| 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 | 49.8 | Very low | 242 Ų | 242 | 102.7 Ų | 102.7 | 100% | 1.192 | 63% | 0.634 | S | S | * | * | 0 | 115 | 0 | -74.8 | 177.8 | 177 | 0 | 0 | 107.4 | |||||
| 2 | A | 23.3 | Very low | 53.1 | Low | 95 Ų | 95 | 103.6 Ų | 103.6 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | trans | -61.4 | 133.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | G4 | A2-G4 PolarHBondContact O-N 3.02Š| ||
| 3 | P | 29.1 | Very low | 56 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 83% | 0.825 | 65% | 0.646 | S | S | * | * | trans | -66.9 | 110.5 | 170.1 | 27.1 | -28.7 | 0 | 0 | 0 | 106.8 | A5 | P3-A5 PolarHBondContact O-N 2.81Å; P3-A5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | G | 31.8 | Very low | 58.5 | Low | 47 Ų | 47 | 102.6 Ų | 102.6 | 49% | 0.485 | 61% | 0.611 | S | S | . | * | trans | -55.8 | 118.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110 | A2 S6 | A2-G4 PolarHBondContact O-N 3.02Å; G4-S6 PolarHBondContact O-N 3.14Å | ||
| 5 | A | 30.2 | Very low | 60.7 | Low | 106 Ų | 106 | 100.3 Ų | 100.3 | 88% | 0.876 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 21.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P3 | P3-A5 PolarHBondContact O-N 2.81Å; P3-A5 VanDerWaalsContact O-N 3.14Å |
| 6 | S | 40.6 | Very low | 62.8 | Low | 101 Ų | 101 | 97.4 Ų | 97.4 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 1 | -177.4 | 74.6 | 0 | 0 | 0 | 0 | 114.9 | G4 | G4-S6 PolarHBondContact O-N 3.14Š|
| 7 | V | 49.8 | Very low | 64.6 | Low | 62 Ų | 62 | 93.2 Ų | 93.2 | 38% | 0.376 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -90.8 | -16.1 | -177.5 | -173.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 8 | Q | 61.6 | Low | 66.2 | Low | 108 Ų | 108 | 88.9 Ų | 88.9 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -84.2 | -25.6 | -167.3 | -74.2 | 177.9 | -21.2 | 0 | 0 | 115.3 | ||
| 9 | Q | 74.7 | Confident | 67.7 | Low | 177 Ų | 177 | 91.3 Ų | 91.3 | 83% | 0.827 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -109.8 | 117.7 | 177.3 | -82.4 | -174.1 | -10.3 | 0 | 0 | 111 | ||
| 10 | L | 85.1 | Confident | 69 | Low | 17 Ų | 17 | 93.4 Ų | 93.4 | 9% | 0.089 | 53% | 0.533 | C | S | . | . | trans | -64.2 | 138.5 | 175.8 | -70.7 | 171.5 | 0 | 0 | 0 | 111.1 | E14 L15 F18 I40 F46 H49 | L10-E14 HydrophobicContact CB-CB 4.13Å; L10-E14 HydrophobicContact CD2-CB 3.89Å; L10-E14 HydrophobicContact CG-CB 4.41Å; L10-L15 HydrophobicContact CB-CB 4.15Å; L10-F18 HydrophobicContact CD1-CB 3.74Å; L10-F18 HydrophobicContact CD1-CD2 4.39Å; L10-F18 HydrophobicContact CD1-CG 4.1Å; L10-I40 HydrophobicContact CD1-CD1 4.45Å; L10-I40 HydrophobicContact CD2-CG2 4.02Å; L10-F46 HydrophobicContact CD2-CB 4.31Å; L10-F46 HydrophobicContact CD2-CD1 3.98Å; L10-F46 HydrophobicContact CD2-CE1 4.5Å; L10-F46 HydrophobicContact CD2-CG 4.02Å; L10-H49 VanDerWaalsContact CD1-CE1 3.43Å; L10-H49 WeakPolarHBondContact CD1-CE1 3.21Å | ||
| 11 | P | 89.7 | Confident | 70.2 | Confident | 48 Ų | 48 | 89 Ų | 89 | 31% | 0.312 | 51% | 0.508 | S | S | . | . | trans | -60.3 | 162.9 | 169.5 | -15 | 25.1 | 0 | 0 | 0 | 111.7 | K13 E14 L15 F46 | P11-K13 VanDerWaalsContact C-N 3.25Å; P11-K13 PolarHBondContact O-N 2.96Å; P11-E14 WeakPolarHBondContact CB-OE2 3.45Å; P11-E14 PolarHBondContact O-N 3.11Å; P11-E14 VanDerWaalsContact O-N 3.15Å; P11-L15 VanDerWaalsContact O-CB 3.31Å; P11-L15 WeakPolarHBondContact O-CB 3.46Å; P11-L15 PolarHBondContact O-N 3.32Å; P11-F46 HydrophobicContact CG-CE1 4.22Å; P11-F46 HydrophobicContact CG-CE2 4.1Å; P11-F46 HydrophobicContact CG-CZ 3.45Å; P11-F46 VanDerWaalsContact CG-CZ 3.45Å | ||
| 12 | P | 90.2 | Very high | 73.1 | Confident | 113 Ų | 113 | 79.6 Ų | 79.6 | 73% | 0.734 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -53.9 | -36.6 | -172.5 | -26.4 | 33 | 0 | 0 | 0 | 114.9 | A16 | P12-A16 WeakPolarHBondContact O-CB 3.26Å; P12-A16 PolarHBondContact O-N 3.34Å |
| 13 | K | 90.3 | Very high | 76.4 | Confident | 159 Ų | 159 | 81.4 Ų | 81.4 | 69% | 0.691 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.9 | -48.5 | -179.1 | -173.4 | -178.1 | 179.6 | -177.6 | 0 | 111.5 | P11 A16 L17 | P11-K13 VanDerWaalsContact C-N 3.25Å; P11-K13 PolarHBondContact O-N 2.96Å; K13-A16 PolarHBondContact O-N 3.39Å; K13-L17 PolarHBondContact O-N 3.03Å; K13-L17 VanDerWaalsContact O-N 3.16Å |
| 14 | E | 91.3 | Very high | 79.4 | Confident | 34 Ų | 34 | 75.8 Ų | 75.8 | 16% | 0.159 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70.5 | -33.7 | 176.8 | -69.5 | 74.1 | -169.4 | 0 | 0 | 111.8 | L10 P11 A16 L17 F18 F46 | L10-E14 HydrophobicContact CB-CB 4.13Å; L10-E14 HydrophobicContact CD2-CB 3.89Å; L10-E14 HydrophobicContact CG-CB 4.41Å; P11-E14 WeakPolarHBondContact CB-OE2 3.45Å; P11-E14 PolarHBondContact O-N 3.11Å; P11-E14 VanDerWaalsContact O-N 3.15Å; E14-A16 VanDerWaalsContact C-N 3.33Å; E14-A16 PolarHBondContact O-N 2.75Å; E14-L17 CarbonylContact O-C 3.59Å; E14-L17 WeakPolarHBondContact O-CB 2.95Å; E14-L17 PolarHBondContact O-N 3.49Å; E14-F18 PolarHBondContact O-N 3.35Å; E14-F46 HydrophobicContact CG-CD2 4.02Å; E14-F46 HydrophobicContact CG-CE2 3.95Å |
| 15 | L | 91.6 | Very high | 82.3 | Confident | 69 Ų | 69 | 76.5 Ų | 76.5 | 36% | 0.361 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 172.8 | -173.9 | 67.9 | 0 | 0 | 0 | 111.3 | L10 P11 F18 K19 | L10-L15 HydrophobicContact CB-CB 4.15Å; P11-L15 VanDerWaalsContact O-CB 3.31Å; P11-L15 WeakPolarHBondContact O-CB 3.46Å; P11-L15 PolarHBondContact O-N 3.32Å; L15-F18 PolarHBondContact O-N 3.12Å; L15-K19 WeakPolarHBondContact O-CG 2.93Å; L15-K19 PolarHBondContact O-N 2.86Å |
| 16 | A | 93.6 | Very high | 85.1 | Confident | 54 Ų | 54 | 77.4 Ų | 77.4 | 45% | 0.446 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P12 K13 E14 R20 | P12-A16 WeakPolarHBondContact O-CB 3.26Å; P12-A16 PolarHBondContact O-N 3.34Å; K13-A16 PolarHBondContact O-N 3.39Å; E14-A16 VanDerWaalsContact C-N 3.33Å; E14-A16 PolarHBondContact O-N 2.75Å; A16-R20 WeakPolarHBondContact O-CG 3.43Å; A16-R20 PolarHBondContact O-N 3.35Å; A16-R20 VanDerWaalsContact O-N 3.15Å |
| 17 | L | 93.8 | Very high | 87.6 | Confident | 26 Ų | 26 | 78.6 Ų | 78.6 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 171.5 | -77.4 | 164.5 | 0 | 0 | 0 | 111.4 | K13 E14 R20 I21 F36 Q39 I40 | K13-L17 PolarHBondContact O-N 3.03Å; K13-L17 VanDerWaalsContact O-N 3.16Å; E14-L17 CarbonylContact O-C 3.59Å; E14-L17 WeakPolarHBondContact O-CB 2.95Å; E14-L17 PolarHBondContact O-N 3.49Å; L17-R20 WeakPolarHBondContact O-CA 3.32Å; L17-R20 WeakPolarHBondContact O-CB 3.35Å; L17-R20 PolarHBondContact O-N 2.97Å; L17-R20 VanDerWaalsContact O-N 3.07Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 3.26Å; L17-F36 HydrophobicContact CD2-CB 4.41Å; L17-F36 HydrophobicContact CD2-CD1 3.77Å; L17-F36 HydrophobicContact CD2-CE1 4.49Å; L17-F36 HydrophobicContact CD2-CG 4.35Å; L17-Q39 HydrophobicContact CD1-CB 4.44Å; L17-Q39 VanDerWaalsContact CD2-OE1 3.3Å; L17-I40 HydrophobicContact CB-CD1 3.86Å; L17-I40 HydrophobicContact CB-CG1 3.92Å; L17-I40 HydrophobicContact CD1-CG1 4.31Å |
| 18 | F | 94 | Very high | 89.6 | Confident | 16 Ų | 16 | 83.2 Ų | 83.2 | 7% | 0.07 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 178.7 | -175.8 | -102.5 | 0 | 0 | 0 | 112.1 | L10 E14 L15 R20 I21 V22 I40 E51 T52 M55 V85 | L10-F18 HydrophobicContact CD1-CB 3.74Å; L10-F18 HydrophobicContact CD1-CD2 4.39Å; L10-F18 HydrophobicContact CD1-CG 4.1Å; E14-F18 PolarHBondContact O-N 3.35Å; L15-F18 PolarHBondContact O-N 3.12Å; F18-R20 PolarHBondContact O-N 3.31Å; F18-I21 HydrophobicContact CD2-CD1 4.35Å; F18-I21 WeakPolarHBondContact O-CA 3.37Å; F18-I21 WeakPolarHBondContact O-CB 3.3Å; F18-I21 PolarHBondContact O-N 3.37Å; F18-V22 HydrophobicContact CE1-CG2 4.16Å; F18-V22 HydrophobicContact CZ-CG2 4.4Å; F18-V22 PolarHBondContact O-N 3.41Å; F18-V22 VanDerWaalsContact O-N 3.13Å; F18-I40 HydrophobicContact CB-CD1 4.01Å; F18-E51 HydrophobicContact CE2-CB 3.82Å; F18-E51 HydrophobicContact CZ-CB 3.66Å; F18-T52 WeakPolarHBondContact CD2-OG1 3.37Å; F18-M55 HydrophobicContact CE2-CB 4.33Å; F18-M55 HydrophobicContact CE2-CG 3.77Å; F18-M55 HydrophobicContact CZ-CG 3.88Å; F18-V85 HydrophobicContact CZ-CG1 4.27Å |
| 19 | K | 93.6 | Very high | 91.2 | Very high | 133 Ų | 133 | 82.7 Ų | 82.7 | 58% | 0.578 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.3 | -33.8 | 172.7 | -71.3 | 179.8 | -179.8 | -178.4 | 0 | 112.5 | L15 K23 | L15-K19 WeakPolarHBondContact O-CG 2.93Å; L15-K19 PolarHBondContact O-N 2.86Å; K19-K23 PolarHBondContact O-N 3.18Å; K19-K23 VanDerWaalsContact O-N 3.11Å |
| 20 | R | 94.3 | Very high | 92.1 | Very high | 134 Ų | 134 | 76.8 Ų | 76.8 | 51% | 0.506 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 173.3 | -69.3 | 175.7 | 73.3 | 170.3 | 8.3 | 112.4 | A16 L17 F18 K23 C24 F36 | A16-R20 WeakPolarHBondContact O-CG 3.43Å; A16-R20 PolarHBondContact O-N 3.35Å; A16-R20 VanDerWaalsContact O-N 3.15Å; L17-R20 WeakPolarHBondContact O-CA 3.32Å; L17-R20 WeakPolarHBondContact O-CB 3.35Å; L17-R20 PolarHBondContact O-N 2.97Å; L17-R20 VanDerWaalsContact O-N 3.07Å; F18-R20 PolarHBondContact O-N 3.31Å; R20-K23 PolarHBondContact O-N 2.94Å; R20-C24 WeakPolarHBondContact O-CB 3.47Å; R20-C24 PolarHBondContact O-N 3.32Å; R20-C24 PolarHBondContact O-SG 3Å; R20-F36 HydrophobicContact CB-CD2 4.16Å; R20-F36 HydrophobicContact CB-CE2 4.39Å; R20-F36 VanDerWaalsContact NH2-CZ 3.29Å |
| 21 | I | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 174.2 | -62.3 | 166.7 | 0 | 0 | 0 | 109.9 | L17 F18 C24 Y25 F36 A37 I40 T52 M55 I59 | L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 3.26Å; F18-I21 HydrophobicContact CD2-CD1 4.35Å; F18-I21 WeakPolarHBondContact O-CA 3.37Å; F18-I21 WeakPolarHBondContact O-CB 3.3Å; F18-I21 PolarHBondContact O-N 3.37Å; I21-C24 WeakPolarHBondContact O-CB 3.44Å; I21-C24 PolarHBondContact O-N 3.11Å; I21-Y25 PolarHBondContact O-N 3.45Å; I21-F36 HydrophobicContact CD1-CB 4.32Å; I21-F36 HydrophobicContact CG1-CB 3.62Å; I21-A37 VanDerWaalsContact CD1-CA 3.47Å; I21-A37 HydrophobicContact CD1-CB 3.87Å; I21-I40 HydrophobicContact CD1-CD1 3.75Å; I21-T52 HydrophobicContact CD1-CG2 4.14Å; I21-M55 HydrophobicContact CG2-CB 4Å; I21-M55 HydrophobicContact CG2-CE 4.35Å; I21-I59 HydrophobicContact CG2-CD1 3.75Å |
| 22 | V | 91.5 | Very high | 92.8 | Very high | 45 Ų | 45 | 85.3 Ų | 85.3 | 27% | 0.273 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 177.8 | 179.8 | 0 | 0 | 0 | 0 | 111 | F18 C24 Y25 E26 M55 | F18-V22 HydrophobicContact CE1-CG2 4.16Å; F18-V22 HydrophobicContact CZ-CG2 4.4Å; F18-V22 PolarHBondContact O-N 3.41Å; F18-V22 VanDerWaalsContact O-N 3.13Å; V22-C24 VanDerWaalsContact C-N 3.32Å; V22-C24 PolarHBondContact O-N 3.32Å; V22-Y25 WeakPolarHBondContact O-CB 3.24Å; V22-Y25 PolarHBondContact O-N 3.44Å; V22-Y25 VanDerWaalsContact O-N 3.08Å; V22-E26 WeakPolarHBondContact O-CG 3.38Å; V22-E26 PolarHBondContact O-N 3.32Å; V22-M55 HydrophobicContact CG2-CE 4.09Å |
| 23 | K | 92.4 | Very high | 92.9 | Very high | 133 Ų | 133 | 80 Ų | 80 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.1 | -41.1 | 175.1 | -78.8 | -171.7 | 175.7 | -173.3 | 0 | 112.8 | K19 R20 Y25 E26 H27 | K19-K23 PolarHBondContact O-N 3.18Å; K19-K23 VanDerWaalsContact O-N 3.11Å; R20-K23 PolarHBondContact O-N 2.94Å; K23-Y25 VanDerWaalsContact C-N 3.27Å; K23-Y25 PolarHBondContact O-N 3.15Å; K23-E26 PolarHBondContact O-N 3.39Å; K23-H27 PolarHBondContact O-N 3.45Å; K23-H27 PolarHBondContact O-ND1 3.24Å |
| 24 | C | 93.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 74.3 Ų | 74.3 | 7% | 0.068 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 176.7 | -77.5 | 0 | 0 | 0 | 0 | 111.5 | R20 I21 V22 K28 Q29 | R20-C24 WeakPolarHBondContact O-CB 3.47Å; R20-C24 PolarHBondContact O-N 3.32Å; R20-C24 PolarHBondContact O-SG 3Å; I21-C24 WeakPolarHBondContact O-CB 3.44Å; I21-C24 PolarHBondContact O-N 3.11Å; V22-C24 VanDerWaalsContact C-N 3.32Å; V22-C24 PolarHBondContact O-N 3.32Å; C24-K28 PolarHBondContact O-N 3.39Å; C24-Q29 HydrophobicContact CB-CB 4.26Å; C24-Q29 WeakPolarHBondContact O-CA 3.48Å; C24-Q29 PolarHBondContact O-N 3.09Å |
| 25 | Y | 92.3 | Very high | 93.3 | Very high | 61 Ų | 61 | 79.2 Ų | 79.2 | 24% | 0.239 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.6 | -48.6 | 173.9 | 172.8 | -101.7 | 0 | 0 | 0 | 111.7 | I21 V22 K23 H27 K28 Y30 M55 L58 I59 | I21-Y25 PolarHBondContact O-N 3.45Å; V22-Y25 WeakPolarHBondContact O-CB 3.24Å; V22-Y25 PolarHBondContact O-N 3.44Å; V22-Y25 VanDerWaalsContact O-N 3.08Å; K23-Y25 VanDerWaalsContact C-N 3.27Å; K23-Y25 PolarHBondContact O-N 3.15Å; Y25-H27 VanDerWaalsContact C-N 3.29Å; Y25-H27 PolarHBondContact O-N 2.92Å; Y25-K28 PolarHBondContact O-N 3.34Å; Y25-Y30 HydrophobicContact CD2-CE1 4.08Å; Y25-Y30 HydrophobicContact CE2-CE1 4.43Å; Y25-M55 HydrophobicContact CG-CE 4.3Å; Y25-L58 HydrophobicContact CD1-CD2 4.46Å; Y25-L58 HydrophobicContact CD2-CD2 4.23Å; Y25-L58 HydrophobicContact CD2-CG 4.28Å; Y25-L58 HydrophobicContact CE1-CD2 3.98Å; Y25-L58 HydrophobicContact CE2-CD1 4.42Å; Y25-L58 HydrophobicContact CE2-CD2 3.72Å; Y25-L58 HydrophobicContact CE2-CG 3.67Å; Y25-I59 HydrophobicContact CD2-CG1 4.14Å |
| 26 | E | 89.6 | Confident | 93.5 | Very high | 126 Ų | 126 | 77.3 Ų | 77.3 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.2 | -39.4 | 178.5 | -69.1 | 172.8 | 163.9 | 0 | 0 | 112.8 | V22 K23 K28 | V22-E26 WeakPolarHBondContact O-CG 3.38Å; V22-E26 PolarHBondContact O-N 3.32Å; K23-E26 PolarHBondContact O-N 3.39Å; E26-K28 VanDerWaalsContact C-N 3.27Å; E26-K28 PolarHBondContact O-N 3.07Å |
| 27 | H | 92.8 | Very high | 93.6 | Very high | 126 Ų | 126 | 74.8 Ų | 74.8 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 11.4 | 178.9 | -62.5 | 75.8 | 0 | 0 | 0 | 113.1 | K23 Y25 Q29 | K23-H27 PolarHBondContact O-N 3.45Å; K23-H27 PolarHBondContact O-ND1 3.24Å; Y25-H27 VanDerWaalsContact C-N 3.29Å; Y25-H27 PolarHBondContact O-N 2.92Å; H27-Q29 HydrophobicContact CB-CG 4.21Å; H27-Q29 PolarHBondContact O-N 3.37Å; H27-Q29 VanDerWaalsContact O-N 3.12Å |
| 28 | K | 92.4 | Very high | 93.6 | Very high | 158 Ų | 158 | 80.8 Ų | 80.8 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 25.1 | -178.5 | -53.9 | -173 | 178 | -173.7 | 0 | 114.8 | C24 Y25 E26 Y30 | C24-K28 PolarHBondContact O-N 3.39Å; Y25-K28 PolarHBondContact O-N 3.34Å; E26-K28 VanDerWaalsContact C-N 3.27Å; E26-K28 PolarHBondContact O-N 3.07Å; K28-Y30 VanDerWaalsContact C-N 3.29Å; K28-Y30 HydrophobicContact CB-CE2 4.16Å; K28-Y30 PolarHBondContact O-N 2.8Å; K28-Y30 VanDerWaalsContact O-N 3.12Å |
| 29 | Q | 93.7 | Very high | 93.7 | Very high | 98 Ų | 98 | 84.9 Ų | 84.9 | 46% | 0.458 | 38% | 0.375 | S | S | . | . | trans | -87.3 | 59.2 | 176.6 | -61.9 | -176 | 3.6 | 0 | 0 | 111.9 | C24 H27 R31 N32 G33 | C24-Q29 HydrophobicContact CB-CB 4.26Å; C24-Q29 WeakPolarHBondContact O-CA 3.48Å; C24-Q29 PolarHBondContact O-N 3.09Å; H27-Q29 HydrophobicContact CB-CG 4.21Å; H27-Q29 PolarHBondContact O-N 3.37Å; H27-Q29 VanDerWaalsContact O-N 3.12Å; Q29-R31 PolarHBondContact O-N 2.92Å; Q29-N32 HydrophobicContact CB-CB 4.48Å; Q29-N32 PolarHBondContact O-N 2.78Å; Q29-G33 PolarHBondContact O-N 3.23Å; Q29-G33 VanDerWaalsContact O-N 3.11Å | ||
| 30 | Y | 94.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 78.6 Ų | 78.6 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.3 | -43.9 | -169.1 | -57.9 | -49.9 | 0 | 0 | 0 | 114.4 | Y25 K28 N32 G33 L34 I59 C62 L63 | Y25-Y30 HydrophobicContact CD2-CE1 4.08Å; Y25-Y30 HydrophobicContact CE2-CE1 4.43Å; K28-Y30 VanDerWaalsContact C-N 3.29Å; K28-Y30 HydrophobicContact CB-CE2 4.16Å; K28-Y30 PolarHBondContact O-N 2.8Å; K28-Y30 VanDerWaalsContact O-N 3.12Å; Y30-N32 VanDerWaalsContact C-N 3.32Å; Y30-N32 PolarHBondContact O-N 3.21Å; Y30-G33 PolarHBondContact O-N 3.46Å; Y30-L34 PolarHBondContact O-N 2.91Å; Y30-I59 HydrophobicContact CD1-CG2 4Å; Y30-I59 HydrophobicContact CG-CG2 4.25Å; Y30-I59 WeakPolarHBondContact O-CG2 3.42Å; Y30-C62 HydrophobicContact CD1-CB 4.05Å; Y30-C62 HydrophobicContact CD2-CB 4.34Å; Y30-C62 HydrophobicContact CE1-CB 3.59Å; Y30-C62 HydrophobicContact CE2-CB 3.91Å; Y30-C62 HydrophobicContact CG-CB 4.41Å; Y30-L63 HydrophobicContact CD2-CD2 4.03Å; Y30-L63 HydrophobicContact CD2-CG 4.48Å; Y30-L63 HydrophobicContact CG-CD2 4.28Å; Y30-L63 HydrophobicContact CG-CG 4.38Å |
| 31 | R | 94.2 | Very high | 93.6 | Very high | 176 Ų | 176 | 73.4 Ų | 73.4 | 66% | 0.664 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.1 | -37.2 | -179.9 | -69.2 | -172.9 | -178.1 | 174.7 | 3.5 | 112.9 | Q29 K35 | Q29-R31 PolarHBondContact O-N 2.92Å; R31-K35 PolarHBondContact O-N 3Å |
| 32 | N | 93.7 | Very high | 93.5 | Very high | 69 Ų | 69 | 77.5 Ų | 77.5 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72 | -41.1 | 176.7 | -71.3 | -17.5 | 0 | 0 | 0 | 110.9 | Q29 Y30 L34 K35 F36 | Q29-N32 HydrophobicContact CB-CB 4.48Å; Q29-N32 PolarHBondContact O-N 2.78Å; Y30-N32 VanDerWaalsContact C-N 3.32Å; Y30-N32 PolarHBondContact O-N 3.21Å; N32-L34 VanDerWaalsContact C-N 3.32Å; N32-L34 PolarHBondContact O-N 3.03Å; N32-K35 WeakPolarHBondContact O-CB 3.33Å; N32-K35 PolarHBondContact O-N 3.46Å; N32-K35 VanDerWaalsContact O-N 3.13Å; N32-F36 HydrophobicContact CB-CE2 4.29Å; N32-F36 VanDerWaalsContact O-CD2 3.25Å; N32-F36 WeakPolarHBondContact O-CD2 3.41Å; N32-F36 PolarHBondContact O-N 3.03Å |
| 33 | G | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.4 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q29 Y30 K35 F36 A37 | Q29-G33 PolarHBondContact O-N 3.23Å; Q29-G33 VanDerWaalsContact O-N 3.11Å; Y30-G33 PolarHBondContact O-N 3.46Å; G33-K35 PolarHBondContact O-N 3.2Å; G33-F36 PolarHBondContact O-N 3.44Å; G33-A37 WeakPolarHBondContact O-CB 3.16Å; G33-A37 PolarHBondContact O-N 3.02Å |
| 34 | L | 94.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 77.1 Ų | 77.1 | 21% | 0.209 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 175.4 | -70.4 | -179.7 | 0 | 0 | 0 | 113.4 | Y30 N32 A37 K38 K56 I59 L60 L63 | Y30-L34 PolarHBondContact O-N 2.91Å; N32-L34 VanDerWaalsContact C-N 3.32Å; N32-L34 PolarHBondContact O-N 3.03Å; L34-A37 PolarHBondContact O-N 3.45Å; L34-K38 WeakPolarHBondContact O-CB 3.28Å; L34-K38 PolarHBondContact O-N 2.77Å; L34-K56 HydrophobicContact CD2-CG 3.88Å; L34-I59 HydrophobicContact CD1-CG2 4.38Å; L34-I59 HydrophobicContact CD2-CB 4.12Å; L34-I59 HydrophobicContact CD2-CG2 3.78Å; L34-I59 HydrophobicContact CG-CG2 3.68Å; L34-L60 HydrophobicContact CD1-CD2 4.02Å; L34-L60 HydrophobicContact CD2-CD2 4.1Å; L34-L60 HydrophobicContact CD2-CG 4.05Å; L34-L63 HydrophobicContact CD1-CD1 3.57Å; L34-L63 HydrophobicContact CG-CD1 4.5Å |
| 35 | K | 95.4 | Very high | 93 | Very high | 137 Ų | 137 | 84.4 Ų | 84.4 | 60% | 0.596 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.5 | -45.7 | 175.8 | -74.4 | 179 | -179.4 | 179.1 | 0 | 111.2 | R31 N32 G33 K38 Q39 | R31-K35 PolarHBondContact O-N 3Å; N32-K35 WeakPolarHBondContact O-CB 3.33Å; N32-K35 PolarHBondContact O-N 3.46Å; N32-K35 VanDerWaalsContact O-N 3.13Å; G33-K35 PolarHBondContact O-N 3.2Å; K35-K38 PolarHBondContact O-N 2.92Å; K35-Q39 WeakPolarHBondContact O-CG 3.43Å; K35-Q39 PolarHBondContact O-N 2.92Å |
| 36 | F | 95.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 82.4 Ų | 82.4 | 13% | 0.132 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67 | -39.4 | 177.5 | -62.3 | -44.9 | 0 | 0 | 0 | 112 | L17 R20 I21 N32 G33 K38 Q39 I40 | L17-F36 HydrophobicContact CD2-CB 4.41Å; L17-F36 HydrophobicContact CD2-CD1 3.77Å; L17-F36 HydrophobicContact CD2-CE1 4.49Å; L17-F36 HydrophobicContact CD2-CG 4.35Å; R20-F36 HydrophobicContact CB-CD2 4.16Å; R20-F36 HydrophobicContact CB-CE2 4.39Å; R20-F36 VanDerWaalsContact NH2-CZ 3.29Å; I21-F36 HydrophobicContact CD1-CB 4.32Å; I21-F36 HydrophobicContact CG1-CB 3.62Å; N32-F36 HydrophobicContact CB-CE2 4.29Å; N32-F36 VanDerWaalsContact O-CD2 3.25Å; N32-F36 WeakPolarHBondContact O-CD2 3.41Å; N32-F36 PolarHBondContact O-N 3.03Å; G33-F36 PolarHBondContact O-N 3.44Å; F36-K38 VanDerWaalsContact C-N 3.32Å; F36-K38 PolarHBondContact O-N 3.01Å; F36-Q39 WeakPolarHBondContact O-CB 3.39Å; F36-Q39 PolarHBondContact O-N 3.46Å; F36-Q39 VanDerWaalsContact O-N 3.16Å; F36-I40 PolarHBondContact O-N 3.45Å |
| 37 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | I21 G33 L34 Q39 I40 L41 T52 K56 | I21-A37 VanDerWaalsContact CD1-CA 3.47Å; I21-A37 HydrophobicContact CD1-CB 3.87Å; G33-A37 WeakPolarHBondContact O-CB 3.16Å; G33-A37 PolarHBondContact O-N 3.02Å; L34-A37 PolarHBondContact O-N 3.45Å; A37-Q39 VanDerWaalsContact C-N 3.31Å; A37-Q39 PolarHBondContact O-N 2.96Å; A37-I40 PolarHBondContact O-N 3.19Å; A37-L41 WeakPolarHBondContact O-CB 3.34Å; A37-L41 VanDerWaalsContact O-CG 3.26Å; A37-L41 WeakPolarHBondContact O-CG 3.43Å; A37-L41 PolarHBondContact O-N 3.4Å; A37-T52 HydrophobicContact CB-CG2 4.25Å; A37-K56 HydrophobicContact CB-CB 4.11Å; A37-K56 HydrophobicContact CB-CG 4.42Å |
| 38 | K | 95 | Very high | 92.9 | Very high | 152 Ų | 152 | 76 Ų | 76 | 66% | 0.661 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62 | -36.8 | 175.7 | -171.5 | 175.5 | -179.1 | 178.3 | 0 | 112.2 | L34 K35 F36 L41 S42 | L34-K38 WeakPolarHBondContact O-CB 3.28Å; L34-K38 PolarHBondContact O-N 2.77Å; K35-K38 PolarHBondContact O-N 2.92Å; F36-K38 VanDerWaalsContact C-N 3.32Å; F36-K38 PolarHBondContact O-N 3.01Å; K38-L41 PolarHBondContact O-N 3.15Å; K38-S42 WeakPolarHBondContact O-CB 3.48Å; K38-S42 PolarHBondContact O-N 2.94Å; K38-S42 PolarHBondContact O-OG 3.19Å |
| 39 | Q | 94.4 | Very high | 92.9 | Very high | 103 Ų | 103 | 68.6 Ų | 68.6 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 177.1 | -74.2 | 176.7 | -3.9 | 0 | 0 | 111.9 | L17 K35 F36 A37 S42 | L17-Q39 HydrophobicContact CD1-CB 4.44Å; L17-Q39 VanDerWaalsContact CD2-OE1 3.3Å; K35-Q39 WeakPolarHBondContact O-CG 3.43Å; K35-Q39 PolarHBondContact O-N 2.92Å; F36-Q39 WeakPolarHBondContact O-CB 3.39Å; F36-Q39 PolarHBondContact O-N 3.46Å; F36-Q39 VanDerWaalsContact O-N 3.16Å; A37-Q39 VanDerWaalsContact C-N 3.31Å; A37-Q39 PolarHBondContact O-N 2.96Å; Q39-S42 PolarHBondContact O-OG 3.33Å |
| 40 | I | 93.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -51.6 | 176.7 | -60.7 | 176.1 | 0 | 0 | 0 | 110.4 | L10 L17 F18 I21 F36 A37 S42 N43 F46 T52 | L10-I40 HydrophobicContact CD1-CD1 4.45Å; L10-I40 HydrophobicContact CD2-CG2 4.02Å; L17-I40 HydrophobicContact CB-CD1 3.86Å; L17-I40 HydrophobicContact CB-CG1 3.92Å; L17-I40 HydrophobicContact CD1-CG1 4.31Å; F18-I40 HydrophobicContact CB-CD1 4.01Å; I21-I40 HydrophobicContact CD1-CD1 3.75Å; F36-I40 PolarHBondContact O-N 3.45Å; A37-I40 PolarHBondContact O-N 3.19Å; I40-S42 PolarHBondContact O-N 3.12Å; I40-N43 PolarHBondContact O-N 3.14Å; I40-F46 HydrophobicContact CG2-CB 4.09Å; I40-T52 HydrophobicContact CB-CG2 4Å; I40-T52 HydrophobicContact CD1-CG2 4.13Å; I40-T52 HydrophobicContact CG2-CG2 4.03Å |
| 41 | L | 93.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.6 | -16.9 | -175.4 | -61 | 171.8 | 0 | 0 | 0 | 113.5 | A37 K38 N43 A47 T52 L53 K56 | A37-L41 WeakPolarHBondContact O-CB 3.34Å; A37-L41 VanDerWaalsContact O-CG 3.26Å; A37-L41 WeakPolarHBondContact O-CG 3.43Å; A37-L41 PolarHBondContact O-N 3.4Å; K38-L41 PolarHBondContact O-N 3.15Å; L41-N43 VanDerWaalsContact C-N 3.27Å; L41-A47 WeakPolarHBondContact CD2-O 3.44Å; L41-A47 WeakPolarHBondContact O-CA 3.4Å; L41-T52 HydrophobicContact CD1-CG2 4.19Å; L41-T52 HydrophobicContact CD2-CG2 3.89Å; L41-T52 HydrophobicContact CG-CG2 3.78Å; L41-L53 HydrophobicContact CD1-CD2 3.98Å; L41-L53 HydrophobicContact CD2-CD2 3.86Å; L41-L53 HydrophobicContact CD2-CG 3.95Å; L41-K56 HydrophobicContact CD1-CD 3.69Å |
| 42 | S | 92.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 55 Ų | 55 | 60% | 0.601 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -20.1 | 175.9 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | K38 Q39 I40 P44 | K38-S42 WeakPolarHBondContact O-CB 3.48Å; K38-S42 PolarHBondContact O-N 2.94Å; K38-S42 PolarHBondContact O-OG 3.19Å; Q39-S42 PolarHBondContact O-OG 3.33Å; I40-S42 PolarHBondContact O-N 3.12Å; S42-P44 WeakPolarHBondContact O-CD 3.28Å |
| 43 | N | 90.9 | Very high | 93 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -78.3 | 120.3 | 172.6 | -174.3 | -19.4 | 0 | 0 | 0 | 108.8 | I40 L41 K45 F46 A47 | I40-N43 PolarHBondContact O-N 3.14Å; L41-N43 VanDerWaalsContact C-N 3.27Å; N43-K45 PolarHBondContact O-N 3.24Å; N43-K45 PolarHBondContact OD1-N 2.6Å; N43-K45 VanDerWaalsContact OD1-N 3.15Å; N43-F46 HydrophobicContact CB-CD2 4.03Å; N43-F46 CarbonylContact O-C 3.57Å; N43-F46 PolarHBondContact O-N 3.49Å; N43-A47 PolarHBondContact O-N 3Å |
| 44 | P | 88.2 | Confident | 93.1 | Very high | 118 Ų | 118 | 51.7 Ų | 51.7 | 77% | 0.766 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -54.3 | -28.3 | -178.8 | -26.2 | 34.2 | 0 | 0 | 0 | 113.9 | S42 F46 | S42-P44 WeakPolarHBondContact O-CD 3.28Å; P44-F46 VanDerWaalsContact C-N 3.28Å; P44-F46 PolarHBondContact O-N 2.61Å |
| 45 | K | 87.1 | Confident | 93.1 | Very high | 163 Ų | 163 | 50.2 Ų | 50.2 | 71% | 0.709 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -66.3 | -27.4 | 177.6 | -67.6 | -172.1 | 177 | -175.8 | 0 | 113.7 | N43 | N43-K45 PolarHBondContact O-N 3.24Å; N43-K45 PolarHBondContact OD1-N 2.6Å; N43-K45 VanDerWaalsContact OD1-N 3.15Å |
| 46 | F | 90.1 | Very high | 93.1 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -123.2 | 13 | -175 | -47.4 | -59 | 0 | 0 | 0 | 112.3 | L10 P11 E14 I40 N43 P44 E48 H49 | L10-F46 HydrophobicContact CD2-CB 4.31Å; L10-F46 HydrophobicContact CD2-CD1 3.98Å; L10-F46 HydrophobicContact CD2-CE1 4.5Å; L10-F46 HydrophobicContact CD2-CG 4.02Å; P11-F46 HydrophobicContact CG-CE1 4.22Å; P11-F46 HydrophobicContact CG-CE2 4.1Å; P11-F46 HydrophobicContact CG-CZ 3.45Å; P11-F46 VanDerWaalsContact CG-CZ 3.45Å; E14-F46 HydrophobicContact CG-CD2 4.02Å; E14-F46 HydrophobicContact CG-CE2 3.95Å; I40-F46 HydrophobicContact CG2-CB 4.09Å; N43-F46 HydrophobicContact CB-CD2 4.03Å; N43-F46 CarbonylContact O-C 3.57Å; N43-F46 PolarHBondContact O-N 3.49Å; P44-F46 VanDerWaalsContact C-N 3.28Å; P44-F46 PolarHBondContact O-N 2.61Å; F46-E48 PolarHBondContact O-N 3.14Å; F46-H49 HydrophobicContact CB-CB 4.13Å; F46-H49 WeakPolarHBondContact O-CB 3.35Å; F46-H49 PolarHBondContact O-N 2.98Å |
| 47 | A | 90.2 | Very high | 93.1 | Very high | 33 Ų | 33 | 44.3 Ų | 44.3 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -31.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L41 N43 | L41-A47 WeakPolarHBondContact CD2-O 3.44Å; L41-A47 WeakPolarHBondContact O-CA 3.4Å; N43-A47 PolarHBondContact O-N 3Å |
| 48 | E | 91.7 | Very high | 93 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 22.7 | 177 | -69.3 | -57.3 | 132.1 | 0 | 0 | 112.9 | F46 G50 R75 N79 | F46-E48 PolarHBondContact O-N 3.14Å; E48-G50 PolarHBondContact O-N 3.39Å; E48-G50 VanDerWaalsContact O-N 3.14Å; E48-R75 IonicContact OE1-CZ 3.45Å; E48-R75 IonicContact OE1-NE 3.45Å; E48-R75 PolarHBondContact OE1-NE 3.36Å; E48-R75 IonicContact OE1-NH2 2.78Å; E48-R75 PolarHBondContact OE1-NH2 3.26Å; E48-R75 IonicContact OE2-CZ 3.81Å; E48-R75 IonicContact OE2-NE 3.03Å; E48-R75 PolarHBondContact OE2-NE 3.14Å; E48-R75 IonicContact OE2-NH2 3.74Å; E48-N79 WeakPolarHBondContact O-CB 3.25Å; E48-N79 PolarHBondContact O-ND2 3.35Å; E48-N79 PolarHBondContact OE2-ND2 2.98Å |
| 49 | H | 93.6 | Very high | 93 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | trans | -64.5 | 114.7 | 176.9 | -179.5 | -108.2 | 0 | 0 | 0 | 111.4 | L10 F46 E51 T52 L53 | L10-H49 VanDerWaalsContact CD1-CE1 3.43Å; L10-H49 WeakPolarHBondContact CD1-CE1 3.21Å; F46-H49 HydrophobicContact CB-CB 4.13Å; F46-H49 WeakPolarHBondContact O-CB 3.35Å; F46-H49 PolarHBondContact O-N 2.98Å; H49-E51 PolarHBondContact O-N 2.98Å; H49-T52 PolarHBondContact ND1-N 3.37Å; H49-T52 PolarHBondContact ND1-OG1 3.4Å; H49-T52 PolarHBondContact O-N 3.15Å; H49-L53 WeakPolarHBondContact O-CG 3.38Å; H49-L53 PolarHBondContact O-N 3.39Å; H49-L53 VanDerWaalsContact O-N 3.09Å | ||
| 50 | G | 93.2 | Very high | 93 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.6 | -53.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E48 T52 L53 A54 G76 C86 | E48-G50 PolarHBondContact O-N 3.39Å; E48-G50 VanDerWaalsContact O-N 3.14Å; G50-T52 VanDerWaalsContact C-N 3.3Å; G50-T52 PolarHBondContact O-N 3.44Å; G50-L53 PolarHBondContact O-N 2.67Å; G50-A54 PolarHBondContact O-N 3.25Å; G50-G76 VanDerWaalsContact CA-O 3.25Å; G50-G76 WeakPolarHBondContact CA-O 3.39Å; G50-G76 WeakPolarHBondContact O-CA 3.33Å; G50-C86 VanDerWaalsContact C-SG 3.5Å |
| 51 | E | 94.3 | Very high | 93 | Very high | 36 Ų | 36 | 33.6 Ų | 33.6 | 17% | 0.168 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -35.7 | -175.3 | -51 | -168.1 | 149 | 0 | 0 | 112.4 | F18 H49 A54 M55 S83 V85 | F18-E51 HydrophobicContact CE2-CB 3.82Å; F18-E51 HydrophobicContact CZ-CB 3.66Å; H49-E51 PolarHBondContact O-N 2.98Å; E51-A54 PolarHBondContact O-N 3.36Å; E51-M55 WeakPolarHBondContact O-CB 3.31Å; E51-M55 WeakPolarHBondContact O-CG 3.25Å; E51-M55 PolarHBondContact O-N 3.17Å; E51-S83 WeakPolarHBondContact CG-OG 3.46Å; E51-S83 PolarHBondContact OE1-OG 2.83Å; E51-V85 HydrophobicContact CB-CB 4.44Å; E51-V85 HydrophobicContact CB-CG1 4.33Å; E51-V85 HydrophobicContact CG-CB 4.2Å |
| 52 | T | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.3 | -38.3 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | F18 I21 A37 I40 L41 H49 G50 K56 | F18-T52 WeakPolarHBondContact CD2-OG1 3.37Å; I21-T52 HydrophobicContact CD1-CG2 4.14Å; A37-T52 HydrophobicContact CB-CG2 4.25Å; I40-T52 HydrophobicContact CB-CG2 4Å; I40-T52 HydrophobicContact CD1-CG2 4.13Å; I40-T52 HydrophobicContact CG2-CG2 4.03Å; L41-T52 HydrophobicContact CD1-CG2 4.19Å; L41-T52 HydrophobicContact CD2-CG2 3.89Å; L41-T52 HydrophobicContact CG-CG2 3.78Å; H49-T52 PolarHBondContact ND1-N 3.37Å; H49-T52 PolarHBondContact ND1-OG1 3.4Å; H49-T52 PolarHBondContact O-N 3.15Å; G50-T52 VanDerWaalsContact C-N 3.3Å; G50-T52 PolarHBondContact O-N 3.44Å; T52-K56 VanDerWaalsContact O-CB 3.32Å; T52-K56 WeakPolarHBondContact O-CB 3.43Å; T52-K56 PolarHBondContact O-N 3.2Å |
| 53 | L | 95.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 171.9 | -71.6 | 169.7 | 0 | 0 | 0 | 111 | L41 H49 G50 K56 G57 Y72 N79 | L41-L53 HydrophobicContact CD1-CD2 3.98Å; L41-L53 HydrophobicContact CD2-CD2 3.86Å; L41-L53 HydrophobicContact CD2-CG 3.95Å; H49-L53 WeakPolarHBondContact O-CG 3.38Å; H49-L53 PolarHBondContact O-N 3.39Å; H49-L53 VanDerWaalsContact O-N 3.09Å; G50-L53 PolarHBondContact O-N 2.67Å; L53-K56 WeakPolarHBondContact O-CB 3.47Å; L53-K56 PolarHBondContact O-N 2.71Å; L53-G57 PolarHBondContact O-N 3.26Å; L53-Y72 HydrophobicContact CD2-CD1 3.9Å; L53-Y72 HydrophobicContact CD2-CE1 4.23Å; L53-N79 VanDerWaalsContact CD1-ND2 3.35Å; L53-N79 WeakPolarHBondContact CD1-ND2 3.37Å |
| 54 | A | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -51.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G50 E51 K56 G57 L58 V89 | G50-A54 PolarHBondContact O-N 3.25Å; E51-A54 PolarHBondContact O-N 3.36Å; A54-K56 VanDerWaalsContact C-N 3.3Å; A54-K56 PolarHBondContact O-N 3.25Å; A54-G57 WeakPolarHBondContact O-CA 3.47Å; A54-G57 PolarHBondContact O-N 3.47Å; A54-L58 PolarHBondContact O-N 3.04Å; A54-V89 HydrophobicContact CB-CB 4.08Å; A54-V89 HydrophobicContact CB-CG1 3.94Å; A54-V89 HydrophobicContact CB-CG2 4.38Å; A54-V89 WeakPolarHBondContact O-CG1 3.32Å |
| 55 | M | 94.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -36.6 | 177.7 | -74.7 | -59.2 | -60.4 | 0 | 0 | 113 | F18 I21 V22 Y25 E51 L58 I59 V89 | F18-M55 HydrophobicContact CE2-CB 4.33Å; F18-M55 HydrophobicContact CE2-CG 3.77Å; F18-M55 HydrophobicContact CZ-CG 3.88Å; I21-M55 HydrophobicContact CG2-CB 4Å; I21-M55 HydrophobicContact CG2-CE 4.35Å; V22-M55 HydrophobicContact CG2-CE 4.09Å; Y25-M55 HydrophobicContact CG-CE 4.3Å; E51-M55 WeakPolarHBondContact O-CB 3.31Å; E51-M55 WeakPolarHBondContact O-CG 3.25Å; E51-M55 PolarHBondContact O-N 3.17Å; M55-L58 PolarHBondContact O-N 3.29Å; M55-L58 HydrophobicContact SD-CD2 4.42Å; M55-I59 WeakPolarHBondContact O-CG1 3.28Å; M55-I59 PolarHBondContact O-N 3.03Å; M55-I59 VanDerWaalsContact O-N 3.11Å; M55-V89 HydrophobicContact SD-CG2 3.71Å |
| 56 | K | 95.6 | Very high | 92.5 | Very high | 43 Ų | 43 | 29.2 Ų | 29.2 | 19% | 0.187 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 172.6 | -179.6 | -176.4 | 171.7 | -169.3 | 0 | 110.9 | L34 A37 L41 T52 L53 A54 I59 L60 Y72 | L34-K56 HydrophobicContact CD2-CG 3.88Å; A37-K56 HydrophobicContact CB-CB 4.11Å; A37-K56 HydrophobicContact CB-CG 4.42Å; L41-K56 HydrophobicContact CD1-CD 3.69Å; T52-K56 VanDerWaalsContact O-CB 3.32Å; T52-K56 WeakPolarHBondContact O-CB 3.43Å; T52-K56 PolarHBondContact O-N 3.2Å; L53-K56 WeakPolarHBondContact O-CB 3.47Å; L53-K56 PolarHBondContact O-N 2.71Å; A54-K56 VanDerWaalsContact C-N 3.3Å; A54-K56 PolarHBondContact O-N 3.25Å; K56-I59 PolarHBondContact O-N 2.88Å; K56-L60 HydrophobicContact CG-CD1 4.18Å; K56-L60 WeakPolarHBondContact O-CG 3.44Å; K56-L60 PolarHBondContact O-N 3.18Å; K56-Y72 HydrophobicContact CD-CD1 4.49Å; K56-Y72 HydrophobicContact CD-CE1 4.39Å; K56-Y72 PolarHBondContact NZ-OH 2.99Å |
| 57 | G | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L53 A54 I59 L60 N61 A69 | L53-G57 PolarHBondContact O-N 3.26Å; A54-G57 WeakPolarHBondContact O-CA 3.47Å; A54-G57 PolarHBondContact O-N 3.47Å; G57-I59 VanDerWaalsContact C-N 3.34Å; G57-I59 PolarHBondContact O-N 3.4Å; G57-L60 WeakPolarHBondContact O-CB 3.4Å; G57-L60 PolarHBondContact O-N 2.94Å; G57-L60 VanDerWaalsContact O-N 3.12Å; G57-N61 PolarHBondContact O-N 3Å; G57-A69 WeakPolarHBondContact O-CB 3.33Å |
| 58 | L | 93.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 176.8 | -173.1 | 59 | 0 | 0 | 0 | 112.8 | Y25 A54 M55 L60 N61 C62 V89 L92 | Y25-L58 HydrophobicContact CD1-CD2 4.46Å; Y25-L58 HydrophobicContact CD2-CD2 4.23Å; Y25-L58 HydrophobicContact CD2-CG 4.28Å; Y25-L58 HydrophobicContact CE1-CD2 3.98Å; Y25-L58 HydrophobicContact CE2-CD1 4.42Å; Y25-L58 HydrophobicContact CE2-CD2 3.72Å; Y25-L58 HydrophobicContact CE2-CG 3.67Å; A54-L58 PolarHBondContact O-N 3.04Å; M55-L58 PolarHBondContact O-N 3.29Å; M55-L58 HydrophobicContact SD-CD2 4.42Å; L58-L60 VanDerWaalsContact C-N 3.33Å; L58-L60 PolarHBondContact O-N 2.83Å; L58-N61 WeakPolarHBondContact O-CB 3.46Å; L58-N61 PolarHBondContact O-N 2.65Å; L58-C62 PolarHBondContact O-N 2.88Å; L58-V89 HydrophobicContact CB-CG1 3.78Å; L58-V89 HydrophobicContact CD2-CG1 4.25Å; L58-V89 HydrophobicContact CD2-CG2 4.18Å; L58-V89 HydrophobicContact CG-CG1 4.41Å; L58-L92 HydrophobicContact CD1-CB 4.03Å; L58-L92 HydrophobicContact CD2-CD1 3.89Å |
| 59 | I | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66 | -37.1 | 177.4 | -67.6 | 168.1 | 0 | 0 | 0 | 111.2 | I21 Y25 Y30 L34 M55 K56 G57 N61 C62 L63 | I21-I59 HydrophobicContact CG2-CD1 3.75Å; Y25-I59 HydrophobicContact CD2-CG1 4.14Å; Y30-I59 HydrophobicContact CD1-CG2 4Å; Y30-I59 HydrophobicContact CG-CG2 4.25Å; Y30-I59 WeakPolarHBondContact O-CG2 3.42Å; L34-I59 HydrophobicContact CD1-CG2 4.38Å; L34-I59 HydrophobicContact CD2-CB 4.12Å; L34-I59 HydrophobicContact CD2-CG2 3.78Å; L34-I59 HydrophobicContact CG-CG2 3.68Å; M55-I59 WeakPolarHBondContact O-CG1 3.28Å; M55-I59 PolarHBondContact O-N 3.03Å; M55-I59 VanDerWaalsContact O-N 3.11Å; K56-I59 PolarHBondContact O-N 2.88Å; G57-I59 VanDerWaalsContact C-N 3.34Å; G57-I59 PolarHBondContact O-N 3.4Å; I59-N61 VanDerWaalsContact C-N 3.32Å; I59-C62 PolarHBondContact O-N 3.4Å; I59-L63 HydrophobicContact CG2-CD1 4.37Å; I59-L63 WeakPolarHBondContact O-CG 3.41Å; I59-L63 PolarHBondContact O-N 3.37Å |
| 60 | L | 94.3 | Very high | 92.5 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 174.9 | -72.3 | 169.2 | 0 | 0 | 0 | 111.9 | L34 K56 G57 L58 L63 G64 K65 E68 A69 Y72 | L34-L60 HydrophobicContact CD1-CD2 4.02Å; L34-L60 HydrophobicContact CD2-CD2 4.1Å; L34-L60 HydrophobicContact CD2-CG 4.05Å; K56-L60 HydrophobicContact CG-CD1 4.18Å; K56-L60 WeakPolarHBondContact O-CG 3.44Å; K56-L60 PolarHBondContact O-N 3.18Å; G57-L60 WeakPolarHBondContact O-CB 3.4Å; G57-L60 PolarHBondContact O-N 2.94Å; G57-L60 VanDerWaalsContact O-N 3.12Å; L58-L60 VanDerWaalsContact C-N 3.33Å; L58-L60 PolarHBondContact O-N 2.83Å; L60-L63 CarbonylContact O-C 3.53Å; L60-L63 PolarHBondContact O-N 3.14Å; L60-L63 VanDerWaalsContact O-N 3.08Å; L60-G64 PolarHBondContact O-N 3.28Å; L60-K65 HydrophobicContact CB-CB 4.29Å; L60-K65 HydrophobicContact CD2-CD 3.75Å; L60-K65 PolarHBondContact O-N 2.88Å; L60-E68 HydrophobicContact CD1-CB 4.42Å; L60-A69 HydrophobicContact CB-CB 4.15Å; L60-Y72 HydrophobicContact CD1-CD2 3.47Å; L60-Y72 VanDerWaalsContact CD1-CD2 3.47Å; L60-Y72 HydrophobicContact CD1-CE2 3.71Å |
| 61 | N | 92.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.2 | -173.3 | 42.7 | 0 | 0 | 0 | 111.4 | G57 L58 I59 L63 G64 A69 S96 | G57-N61 PolarHBondContact O-N 3Å; L58-N61 WeakPolarHBondContact O-CB 3.46Å; L58-N61 PolarHBondContact O-N 2.65Å; I59-N61 VanDerWaalsContact C-N 3.32Å; N61-L63 PolarHBondContact O-N 2.93Å; N61-G64 PolarHBondContact O-N 2.64Å; N61-A69 HydrophobicContact CB-CB 3.73Å; N61-S96 PolarHBondContact ND2-OG 2.82Å |
| 62 | C | 89.8 | Confident | 92.6 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.9 | -17.7 | 175 | -63.5 | 0 | 0 | 0 | 0 | 114.1 | Y30 L58 I59 | Y30-C62 HydrophobicContact CD1-CB 4.05Å; Y30-C62 HydrophobicContact CD2-CB 4.34Å; Y30-C62 HydrophobicContact CE1-CB 3.59Å; Y30-C62 HydrophobicContact CE2-CB 3.91Å; Y30-C62 HydrophobicContact CG-CB 4.41Å; L58-C62 PolarHBondContact O-N 2.88Å; I59-C62 PolarHBondContact O-N 3.4Å |
| 63 | L | 90.5 | Very high | 92.6 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 38% | 0.382 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 8.2 | 174 | -68.6 | 172.2 | 0 | 0 | 0 | 112.9 | Y30 L34 I59 L60 N61 | Y30-L63 HydrophobicContact CD2-CD2 4.03Å; Y30-L63 HydrophobicContact CD2-CG 4.48Å; Y30-L63 HydrophobicContact CG-CD2 4.28Å; Y30-L63 HydrophobicContact CG-CG 4.38Å; L34-L63 HydrophobicContact CD1-CD1 3.57Å; L34-L63 HydrophobicContact CG-CD1 4.5Å; I59-L63 HydrophobicContact CG2-CD1 4.37Å; I59-L63 WeakPolarHBondContact O-CG 3.41Å; I59-L63 PolarHBondContact O-N 3.37Å; L60-L63 CarbonylContact O-C 3.53Å; L60-L63 PolarHBondContact O-N 3.14Å; L60-L63 VanDerWaalsContact O-N 3.08Å; N61-L63 PolarHBondContact O-N 2.93Å |
| 64 | G | 86.3 | Confident | 92.5 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 60% | 0.598 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | -1.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L60 N61 K66 | L60-G64 PolarHBondContact O-N 3.28Å; N61-G64 PolarHBondContact O-N 2.64Å; G64-K66 PolarHBondContact O-N 3.44Å; G64-K66 VanDerWaalsContact O-N 3.1Å |
| 65 | K | 90.2 | Very high | 92.4 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 41% | 0.409 | 25% | 0.249 | S | C | . | . | trans | -88.6 | 67.2 | -178.1 | -68.5 | 173.3 | 153.2 | -116.1 | 0 | 111.7 | L60 E68 A69 | L60-K65 HydrophobicContact CB-CB 4.29Å; L60-K65 HydrophobicContact CD2-CD 3.75Å; L60-K65 PolarHBondContact O-N 2.88Å; K65-E68 HydrophobicContact CB-CB 4.41Å; K65-E68 VanDerWaalsContact NZ-CD 3.3Å; K65-E68 IonicContact NZ-OE1 3.18Å; K65-E68 PolarHBondContact NZ-OE1 3.49Å; K65-E68 IonicContact NZ-OE2 3.38Å; K65-E68 PolarHBondContact NZ-OE2 2.91Å; K65-A69 VanDerWaalsContact O-CB 3.24Å; K65-A69 WeakPolarHBondContact O-CB 3.26Å; K65-A69 PolarHBondContact O-N 3.32Å | ||
| 66 | K | 86.7 | Confident | 92.4 | Very high | 93 Ų | 93 | 50.3 Ų | 50.3 | 40% | 0.404 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.3 | -43.9 | -171.4 | -62.7 | -162.8 | 176.8 | -172.7 | 0 | 114.5 | G64 A69 N70 | G64-K66 PolarHBondContact O-N 3.44Å; G64-K66 VanDerWaalsContact O-N 3.1Å; K66-A69 WeakPolarHBondContact O-CB 3.29Å; K66-A69 PolarHBondContact O-N 2.95Å; K66-N70 WeakPolarHBondContact O-CB 3.17Å; K66-N70 PolarHBondContact O-N 3.11Å; K66-N70 PolarHBondContact O-ND2 3.07Å |
| 67 | E | 88.3 | Confident | 92.2 | Very high | 160 Ų | 160 | 49.2 Ų | 49.2 | 75% | 0.748 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.1 | -49.8 | -179.1 | -67.2 | -60.4 | 154.9 | 0 | 0 | 111.6 | A69 N70 E71 | E67-A69 VanDerWaalsContact C-N 3.27Å; E67-A69 PolarHBondContact O-N 3.19Å; E67-N70 PolarHBondContact O-N 3Å; E67-E71 PolarHBondContact O-N 3.33Å; E67-E71 VanDerWaalsContact O-N 3.14Å |
| 68 | E | 92.1 | Very high | 92.2 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 174.8 | -66.8 | 177.5 | -146.7 | 0 | 0 | 111 | L60 K65 E71 Y72 | L60-E68 HydrophobicContact CD1-CB 4.42Å; K65-E68 HydrophobicContact CB-CB 4.41Å; K65-E68 VanDerWaalsContact NZ-CD 3.3Å; K65-E68 IonicContact NZ-OE1 3.18Å; K65-E68 PolarHBondContact NZ-OE1 3.49Å; K65-E68 IonicContact NZ-OE2 3.38Å; K65-E68 PolarHBondContact NZ-OE2 2.91Å; E68-E71 PolarHBondContact O-N 3.27Å; E68-Y72 WeakPolarHBondContact O-CD2 3.42Å; E68-Y72 PolarHBondContact O-N 2.66Å |
| 69 | A | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | G57 L60 N61 K65 K66 E67 E71 Y72 V73 | G57-A69 WeakPolarHBondContact O-CB 3.33Å; L60-A69 HydrophobicContact CB-CB 4.15Å; N61-A69 HydrophobicContact CB-CB 3.73Å; K65-A69 VanDerWaalsContact O-CB 3.24Å; K65-A69 WeakPolarHBondContact O-CB 3.26Å; K65-A69 PolarHBondContact O-N 3.32Å; K66-A69 WeakPolarHBondContact O-CB 3.29Å; K66-A69 PolarHBondContact O-N 2.95Å; E67-A69 VanDerWaalsContact C-N 3.27Å; E67-A69 PolarHBondContact O-N 3.19Å; A69-E71 VanDerWaalsContact C-N 3.3Å; A69-E71 PolarHBondContact O-N 3.03Å; A69-Y72 PolarHBondContact O-N 3.4Å; A69-V73 VanDerWaalsContact O-CG2 3.32Å; A69-V73 WeakPolarHBondContact O-CG2 3.47Å; A69-V73 PolarHBondContact O-N 3.22Å |
| 70 | N | 91.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 178 | -96.1 | -52.4 | 0 | 0 | 0 | 111.9 | K66 E67 K74 M93 E97 | K66-N70 WeakPolarHBondContact O-CB 3.17Å; K66-N70 PolarHBondContact O-N 3.11Å; K66-N70 PolarHBondContact O-ND2 3.07Å; E67-N70 PolarHBondContact O-N 3Å; N70-K74 WeakPolarHBondContact O-CB 3.47Å; N70-K74 WeakPolarHBondContact O-CG 3.35Å; N70-K74 PolarHBondContact O-N 3.4Å; N70-M93 HydrophobicContact CB-SD 4.4Å; N70-M93 WeakPolarHBondContact OD1-CE 3.4Å; N70-M93 PolarHBondContact OD1-SD 3.12Å; N70-E97 PolarHBondContact ND2-OE1 3.21Å |
| 71 | E | 93.8 | Very high | 92 | Very high | 122 Ų | 122 | 61.3 Ų | 61.3 | 57% | 0.57 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.8 | -50.5 | 177 | -166.3 | -170.3 | 155.6 | 0 | 0 | 111.5 | E67 E68 A69 V73 K74 R75 | E67-E71 PolarHBondContact O-N 3.33Å; E67-E71 VanDerWaalsContact O-N 3.14Å; E68-E71 PolarHBondContact O-N 3.27Å; A69-E71 VanDerWaalsContact C-N 3.3Å; A69-E71 PolarHBondContact O-N 3.03Å; E71-V73 PolarHBondContact O-N 3.38Å; E71-K74 PolarHBondContact O-N 3.22Å; E71-R75 VanDerWaalsContact O-CB 3.28Å; E71-R75 WeakPolarHBondContact O-CB 3.4Å; E71-R75 PolarHBondContact O-N 3.02Å |
| 72 | Y | 95.4 | Very high | 91.9 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | -179.2 | -80.9 | -60 | 0 | 0 | 0 | 113.2 | L53 K56 L60 E68 A69 G76 | L53-Y72 HydrophobicContact CD2-CD1 3.9Å; L53-Y72 HydrophobicContact CD2-CE1 4.23Å; K56-Y72 HydrophobicContact CD-CD1 4.49Å; K56-Y72 HydrophobicContact CD-CE1 4.39Å; K56-Y72 PolarHBondContact NZ-OH 2.99Å; L60-Y72 HydrophobicContact CD1-CD2 3.47Å; L60-Y72 VanDerWaalsContact CD1-CD2 3.47Å; L60-Y72 HydrophobicContact CD1-CE2 3.71Å; E68-Y72 WeakPolarHBondContact O-CD2 3.42Å; E68-Y72 PolarHBondContact O-N 2.66Å; A69-Y72 PolarHBondContact O-N 3.4Å; Y72-G76 PolarHBondContact O-N 3.09Å |
| 73 | V | 95 | Very high | 92 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 178.6 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | A69 E71 R75 G76 L77 V89 Y90 M93 | A69-V73 VanDerWaalsContact O-CG2 3.32Å; A69-V73 WeakPolarHBondContact O-CG2 3.47Å; A69-V73 PolarHBondContact O-N 3.22Å; E71-V73 PolarHBondContact O-N 3.38Å; V73-R75 VanDerWaalsContact C-N 3.34Å; V73-R75 PolarHBondContact O-N 3.31Å; V73-G76 PolarHBondContact O-N 2.96Å; V73-L77 WeakPolarHBondContact O-CB 3.32Å; V73-L77 PolarHBondContact O-N 3.25Å; V73-V89 HydrophobicContact CG1-CG1 4.11Å; V73-V89 HydrophobicContact CG2-CG1 3.94Å; V73-Y90 HydrophobicContact CG1-CD2 3.86Å; V73-Y90 HydrophobicContact CG1-CG 4.43Å; V73-M93 HydrophobicContact CB-CE 3.94Å; V73-M93 HydrophobicContact CB-SD 3.68Å; V73-M93 HydrophobicContact CG1-CE 3.9Å; V73-M93 HydrophobicContact CG1-SD 4.08Å; V73-M93 HydrophobicContact CG2-SD 3.64Å |
| 74 | K | 94.2 | Very high | 92.2 | Very high | 110 Ų | 110 | 67.7 Ų | 67.7 | 48% | 0.478 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 177.1 | -75.2 | -179.6 | -180 | 178 | 0 | 112 | N70 E71 L77 T78 Y90 | N70-K74 WeakPolarHBondContact O-CB 3.47Å; N70-K74 WeakPolarHBondContact O-CG 3.35Å; N70-K74 PolarHBondContact O-N 3.4Å; E71-K74 PolarHBondContact O-N 3.22Å; K74-L77 PolarHBondContact O-N 3.14Å; K74-T78 WeakPolarHBondContact O-CB 3.42Å; K74-T78 PolarHBondContact O-N 3.43Å; K74-T78 PolarHBondContact O-OG1 3.22Å; K74-Y90 HydrophobicContact CG-CE2 4.27Å |
| 75 | R | 93.8 | Very high | 92.5 | Very high | 83 Ų | 83 | 66 Ų | 66 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 176 | -160.7 | 170.1 | 93.9 | -157.1 | 13.2 | 111.5 | E48 E71 V73 L77 T78 N79 | E48-R75 IonicContact OE1-CZ 3.45Å; E48-R75 IonicContact OE1-NE 3.45Å; E48-R75 PolarHBondContact OE1-NE 3.36Å; E48-R75 IonicContact OE1-NH2 2.78Å; E48-R75 PolarHBondContact OE1-NH2 3.26Å; E48-R75 IonicContact OE2-CZ 3.81Å; E48-R75 IonicContact OE2-NE 3.03Å; E48-R75 PolarHBondContact OE2-NE 3.14Å; E48-R75 IonicContact OE2-NH2 3.74Å; E71-R75 VanDerWaalsContact O-CB 3.28Å; E71-R75 WeakPolarHBondContact O-CB 3.4Å; E71-R75 PolarHBondContact O-N 3.02Å; V73-R75 VanDerWaalsContact C-N 3.34Å; V73-R75 PolarHBondContact O-N 3.31Å; R75-L77 VanDerWaalsContact C-N 3.32Å; R75-L77 PolarHBondContact O-N 3.48Å; R75-T78 PolarHBondContact O-N 3.23Å; R75-N79 VanDerWaalsContact O-CG 3.31Å; R75-N79 PolarHBondContact O-N 2.81Å; R75-N79 PolarHBondContact O-ND2 3.46Å |
| 76 | G | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.4 | -45.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G50 Y72 V73 N79 D80 | G50-G76 VanDerWaalsContact CA-O 3.25Å; G50-G76 WeakPolarHBondContact CA-O 3.39Å; G50-G76 WeakPolarHBondContact O-CA 3.33Å; Y72-G76 PolarHBondContact O-N 3.09Å; V73-G76 PolarHBondContact O-N 2.96Å; G76-N79 PolarHBondContact O-N 3.28Å; G76-D80 PolarHBondContact O-N 2.84Å; G76-D80 VanDerWaalsContact O-N 3.12Å |
| 77 | L | 93.3 | Very high | 93.2 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 177.4 | -175.8 | 63.9 | 0 | 0 | 0 | 113 | V73 K74 R75 N79 D80 V81 C86 W87 Y90 | V73-L77 WeakPolarHBondContact O-CB 3.32Å; V73-L77 PolarHBondContact O-N 3.25Å; K74-L77 PolarHBondContact O-N 3.14Å; R75-L77 VanDerWaalsContact C-N 3.32Å; R75-L77 PolarHBondContact O-N 3.48Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 2.84Å; L77-D80 CarbonylContact O-C 3.45Å; L77-D80 PolarHBondContact O-N 3.32Å; L77-V81 WeakPolarHBondContact O-CA 3.43Å; L77-V81 VanDerWaalsContact O-CG2 3.3Å; L77-V81 WeakPolarHBondContact O-CG2 3.18Å; L77-V81 PolarHBondContact O-N 3.45Å; L77-V81 VanDerWaalsContact O-N 3.12Å; L77-C86 HydrophobicContact CB-CB 4.42Å; L77-C86 HydrophobicContact CD1-CB 3.69Å; L77-W87 HydrophobicContact CD1-CD2 3.71Å; L77-W87 HydrophobicContact CD1-CE3 4.23Å; L77-W87 HydrophobicContact CD1-CG 3.89Å; L77-W87 HydrophobicContact CD1-CZ2 4.19Å; L77-W87 HydrophobicContact CD2-CD2 4.35Å; L77-W87 HydrophobicContact CD2-CE3 4.05Å; L77-W87 HydrophobicContact CD2-CH2 4.02Å; L77-W87 HydrophobicContact CD2-CZ2 4.32Å; L77-W87 HydrophobicContact CD2-CZ3 3.88Å; L77-Y90 HydrophobicContact CD2-CD1 4.33Å; L77-Y90 HydrophobicContact CD2-CD2 4.49Å; L77-Y90 HydrophobicContact CD2-CG 4.14Å |
| 78 | T | 94.1 | Very high | 93.5 | Very high | 106 Ų | 106 | 53 Ų | 53 | 65% | 0.65 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -66.3 | -36.3 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | K74 R75 | K74-T78 WeakPolarHBondContact O-CB 3.42Å; K74-T78 PolarHBondContact O-N 3.43Å; K74-T78 PolarHBondContact O-OG1 3.22Å; R75-T78 PolarHBondContact O-N 3.23Å |
| 79 | N | 93.2 | Very high | 93.7 | Very high | 64 Ų | 64 | 49.2 Ų | 49.2 | 34% | 0.342 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -75.4 | -27.1 | 178.3 | -66.4 | -17.2 | 0 | 0 | 0 | 112.8 | E48 L53 R75 G76 L77 | E48-N79 WeakPolarHBondContact O-CB 3.25Å; E48-N79 PolarHBondContact O-ND2 3.35Å; E48-N79 PolarHBondContact OE2-ND2 2.98Å; L53-N79 VanDerWaalsContact CD1-ND2 3.35Å; L53-N79 WeakPolarHBondContact CD1-ND2 3.37Å; R75-N79 VanDerWaalsContact O-CG 3.31Å; R75-N79 PolarHBondContact O-N 2.81Å; R75-N79 PolarHBondContact O-ND2 3.46Å; G76-N79 PolarHBondContact O-N 3.28Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 2.84Å |
| 80 | D | 91.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | trans | -142.3 | 79.9 | 175 | -163.1 | -7.2 | 0 | 0 | 0 | 113.8 | G76 L77 R82 S83 | G76-D80 PolarHBondContact O-N 2.84Å; G76-D80 VanDerWaalsContact O-N 3.12Å; L77-D80 CarbonylContact O-C 3.45Å; L77-D80 PolarHBondContact O-N 3.32Å; D80-R82 PolarHBondContact O-N 2.95Å; D80-R82 PolarHBondContact OD1-N 3.45Å; D80-S83 VanDerWaalsContact CG-CB 3.49Å; D80-S83 PolarHBondContact O-N 3.38Å; D80-S83 PolarHBondContact OD1-N 2.59Å; D80-S83 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 81 | V | 92.3 | Very high | 94 | Very high | 85 Ų | 85 | 50 Ų | 50 | 52% | 0.515 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -18.2 | 179.4 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | L77 W87 | L77-V81 WeakPolarHBondContact O-CA 3.43Å; L77-V81 VanDerWaalsContact O-CG2 3.3Å; L77-V81 WeakPolarHBondContact O-CG2 3.18Å; L77-V81 PolarHBondContact O-N 3.45Å; L77-V81 VanDerWaalsContact O-N 3.12Å; V81-W87 HydrophobicContact CG1-CZ2 4.21Å; V81-W87 PolarHBondContact O-NE1 3.27Å |
| 82 | R | 91.6 | Very high | 94 | Very high | 207 Ų | 207 | 45 Ų | 45 | 78% | 0.781 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 5.2 | 179.8 | -68.3 | -173.7 | 179.2 | -179.4 | -0.1 | 112.8 | D80 I113 | D80-R82 PolarHBondContact O-N 2.95Å; D80-R82 PolarHBondContact OD1-N 3.45Å; R82-I113 WeakPolarHBondContact O-CD1 3.43Å; R82-I113 VanDerWaalsContact O-CG2 3.26Å; R82-I113 WeakPolarHBondContact O-CG2 3.14Å |
| 83 | S | 92.3 | Very high | 93.8 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | trans | -86.2 | 123.8 | 173.5 | 169 | 0 | 0 | 0 | 0 | 111.5 | E51 D80 V85 C86 W87 | E51-S83 WeakPolarHBondContact CG-OG 3.46Å; E51-S83 PolarHBondContact OE1-OG 2.83Å; D80-S83 VanDerWaalsContact CG-CB 3.49Å; D80-S83 PolarHBondContact O-N 3.38Å; D80-S83 PolarHBondContact OD1-N 2.59Å; D80-S83 WeakPolarHBondContact OD2-CB 3.46Å; S83-V85 PolarHBondContact O-N 3.41Å; S83-V85 WeakPolarHBondContact OG-CB 3.21Å; S83-V85 PolarHBondContact OG-N 2.9Å; S83-V85 VanDerWaalsContact OG-N 3.15Å; S83-C86 PolarHBondContact O-N 2.86Å; S83-C86 PolarHBondContact OG-N 2.93Å; S83-W87 PolarHBondContact O-N 3.3Å | ||
| 84 | H | 93.2 | Very high | 93.7 | Very high | 47 Ų | 47 | 43 Ų | 43 | 22% | 0.218 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -31.8 | 171.3 | 73.1 | -86.1 | 0 | 0 | 0 | 111.4 | W87 H88 A110 I113 E114 | H84-W87 PolarHBondContact O-N 2.99Å; H84-H88 VanDerWaalsContact O-CB 3.28Å; H84-H88 WeakPolarHBondContact O-CB 3.39Å; H84-H88 PolarHBondContact O-N 3.38Å; H84-A110 HydrophobicContact CB-CB 4.43Å; H84-I113 HydrophobicContact CB-CB 4.25Å; H84-I113 HydrophobicContact CB-CG2 4.17Å; H84-E114 HydrophobicContact CB-CB 3.99Å; H84-E114 IonicContact CD2-OE2 3.41Å; H84-E114 PolarHBondContact CD2-OE2 3.27Å; H84-E114 IonicContact CE1-OE2 2.75Å; H84-E114 PolarHBondContact CE1-OE2 3.06Å; H84-E114 IonicContact CG-OE2 3.58Å; H84-E114 IonicContact ND1-OE2 2.87Å; H84-E114 IonicContact NE2-OE2 3.02Å; H84-E114 PolarHBondContact NE2-OE2 3.39Å; H84-E114 VanDerWaalsContact NE2-OE2 3.14Å |
| 85 | V | 92.8 | Very high | 93.7 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 178.4 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | F18 E51 S83 W87 H88 V89 | F18-V85 HydrophobicContact CZ-CG1 4.27Å; E51-V85 HydrophobicContact CB-CB 4.44Å; E51-V85 HydrophobicContact CB-CG1 4.33Å; E51-V85 HydrophobicContact CG-CB 4.2Å; S83-V85 PolarHBondContact O-N 3.41Å; S83-V85 WeakPolarHBondContact OG-CB 3.21Å; S83-V85 PolarHBondContact OG-N 2.9Å; S83-V85 VanDerWaalsContact OG-N 3.15Å; V85-W87 VanDerWaalsContact C-N 3.34Å; V85-W87 PolarHBondContact O-N 3.4Å; V85-H88 PolarHBondContact O-N 3.05Å; V85-V89 HydrophobicContact CG1-CG2 4.23Å; V85-V89 WeakPolarHBondContact O-CB 3.49Å; V85-V89 VanDerWaalsContact O-CG2 3.25Å; V85-V89 WeakPolarHBondContact O-CG2 3.36Å; V85-V89 PolarHBondContact O-N 2.89Å |
| 86 | C | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 179 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | G50 L77 S83 Y90 | G50-C86 VanDerWaalsContact C-SG 3.5Å; L77-C86 HydrophobicContact CB-CB 4.42Å; L77-C86 HydrophobicContact CD1-CB 3.69Å; S83-C86 PolarHBondContact O-N 2.86Å; S83-C86 PolarHBondContact OG-N 2.93Å; C86-Y90 WeakPolarHBondContact O-CB 3.48Å; C86-Y90 PolarHBondContact O-N 3.24Å |
| 87 | W | 96.8 | Very high | 93.3 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 17% | 0.167 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | 175.7 | -78.5 | 109.5 | 0 | 0 | 0 | 113 | L77 V81 S83 H84 V85 Y90 G91 A106 N109 A110 | L77-W87 HydrophobicContact CD1-CD2 3.71Å; L77-W87 HydrophobicContact CD1-CE3 4.23Å; L77-W87 HydrophobicContact CD1-CG 3.89Å; L77-W87 HydrophobicContact CD1-CZ2 4.19Å; L77-W87 HydrophobicContact CD2-CD2 4.35Å; L77-W87 HydrophobicContact CD2-CE3 4.05Å; L77-W87 HydrophobicContact CD2-CH2 4.02Å; L77-W87 HydrophobicContact CD2-CZ2 4.32Å; L77-W87 HydrophobicContact CD2-CZ3 3.88Å; V81-W87 HydrophobicContact CG1-CZ2 4.21Å; V81-W87 PolarHBondContact O-NE1 3.27Å; S83-W87 PolarHBondContact O-N 3.3Å; H84-W87 PolarHBondContact O-N 2.99Å; V85-W87 VanDerWaalsContact C-N 3.34Å; V85-W87 PolarHBondContact O-N 3.4Å; W87-Y90 HydrophobicContact CE3-CD1 4.35Å; W87-Y90 HydrophobicContact CZ3-CD1 4.29Å; W87-Y90 PolarHBondContact O-N 3.33Å; W87-G91 PolarHBondContact O-N 3.47Å; W87-A106 HydrophobicContact CE3-CB 4.18Å; W87-N109 HydrophobicContact CD2-CB 3.66Å; W87-N109 HydrophobicContact CE3-CB 3.88Å; W87-N109 HydrophobicContact CG-CB 4.07Å; W87-N109 HydrophobicContact CH2-CB 4.45Å; W87-N109 WeakPolarHBondContact CH2-ND2 3.32Å; W87-N109 HydrophobicContact CZ2-CB 4.26Å; W87-N109 HydrophobicContact CZ3-CB 4.27Å; W87-A110 HydrophobicContact CB-CB 3.62Å |
| 88 | H | 95.3 | Very high | 93.1 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 14% | 0.139 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.6 | -177.1 | -149.6 | 0 | 0 | 0 | 111 | H84 V85 Y90 G91 L92 Y107 I120 D123 | H84-H88 VanDerWaalsContact O-CB 3.28Å; H84-H88 WeakPolarHBondContact O-CB 3.39Å; H84-H88 PolarHBondContact O-N 3.38Å; V85-H88 PolarHBondContact O-N 3.05Å; H88-Y90 PolarHBondContact O-N 2.73Å; H88-G91 PolarHBondContact O-N 3.12Å; H88-L92 WeakPolarHBondContact O-CG 3.33Å; H88-L92 PolarHBondContact O-N 3.12Å; H88-Y107 AromaticContact CD2-CD1 3.95Å; H88-Y107 AromaticContact CD2-CE1 3.55Å; H88-I120 HydrophobicContact CB-CD1 3.92Å; H88-I120 HydrophobicContact CB-CG1 4.15Å; H88-D123 IonicContact CE1-OD2 3.95Å; H88-D123 IonicContact NE2-OD2 2.76Å; H88-D123 PolarHBondContact NE2-OD2 2.71Å |
| 89 | V | 95 | Very high | 93.1 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 176 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | A54 M55 L58 V73 V85 G91 L92 M93 | A54-V89 HydrophobicContact CB-CB 4.08Å; A54-V89 HydrophobicContact CB-CG1 3.94Å; A54-V89 HydrophobicContact CB-CG2 4.38Å; A54-V89 WeakPolarHBondContact O-CG1 3.32Å; M55-V89 HydrophobicContact SD-CG2 3.71Å; L58-V89 HydrophobicContact CB-CG1 3.78Å; L58-V89 HydrophobicContact CD2-CG1 4.25Å; L58-V89 HydrophobicContact CD2-CG2 4.18Å; L58-V89 HydrophobicContact CG-CG1 4.41Å; V73-V89 HydrophobicContact CG1-CG1 4.11Å; V73-V89 HydrophobicContact CG2-CG1 3.94Å; V85-V89 HydrophobicContact CG1-CG2 4.23Å; V85-V89 WeakPolarHBondContact O-CB 3.49Å; V85-V89 VanDerWaalsContact O-CG2 3.25Å; V85-V89 WeakPolarHBondContact O-CG2 3.36Å; V85-V89 PolarHBondContact O-N 2.89Å; V89-G91 VanDerWaalsContact C-N 3.31Å; V89-G91 PolarHBondContact O-N 2.94Å; V89-L92 PolarHBondContact O-N 2.98Å; V89-M93 PolarHBondContact O-N 3.35Å |
| 90 | Y | 95.6 | Very high | 93.2 | Very high | 40 Ų | 40 | 42.6 Ų | 42.6 | 16% | 0.157 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 174 | -175.1 | -110.5 | 0 | 0 | 0 | 111.5 | V73 K74 L77 C86 W87 H88 M93 Q94 A106 | V73-Y90 HydrophobicContact CG1-CD2 3.86Å; V73-Y90 HydrophobicContact CG1-CG 4.43Å; K74-Y90 HydrophobicContact CG-CE2 4.27Å; L77-Y90 HydrophobicContact CD2-CD1 4.33Å; L77-Y90 HydrophobicContact CD2-CD2 4.49Å; L77-Y90 HydrophobicContact CD2-CG 4.14Å; C86-Y90 WeakPolarHBondContact O-CB 3.48Å; C86-Y90 PolarHBondContact O-N 3.24Å; W87-Y90 HydrophobicContact CE3-CD1 4.35Å; W87-Y90 HydrophobicContact CZ3-CD1 4.29Å; W87-Y90 PolarHBondContact O-N 3.33Å; H88-Y90 PolarHBondContact O-N 2.73Å; Y90-M93 HydrophobicContact CD2-CE 3.71Å; Y90-M93 HydrophobicContact CE2-CE 3.82Å; Y90-M93 WeakPolarHBondContact O-CB 3.34Å; Y90-M93 PolarHBondContact O-N 2.98Å; Y90-Q94 HydrophobicContact CD1-CG 4.39Å; Y90-Q94 HydrophobicContact CE1-CG 4.04Å; Y90-Q94 HydrophobicContact CE2-CG 4.41Å; Y90-Q94 WeakPolarHBondContact O-CG 2.95Å; Y90-Q94 PolarHBondContact O-N 2.94Å; Y90-Q94 PolarHBondContact OH-NE2 3.32Å; Y90-A106 HydrophobicContact CD1-CB 3.74Å; Y90-A106 HydrophobicContact CE1-CB 4.46Å |
| 91 | G | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | W87 H88 V89 M93 Q94 R95 A103 | W87-G91 PolarHBondContact O-N 3.47Å; H88-G91 PolarHBondContact O-N 3.12Å; V89-G91 VanDerWaalsContact C-N 3.31Å; V89-G91 PolarHBondContact O-N 2.94Å; G91-M93 VanDerWaalsContact C-N 3.29Å; G91-M93 PolarHBondContact O-N 3.45Å; G91-Q94 PolarHBondContact O-N 3.23Å; G91-R95 WeakPolarHBondContact O-CB 3.45Å; G91-R95 PolarHBondContact O-N 3.47Å; G91-A103 WeakPolarHBondContact O-CB 3.26Å |
| 92 | L | 93.7 | Very high | 93.5 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -37.8 | 175.4 | -71.8 | 171.2 | 0 | 0 | 0 | 112 | L58 H88 V89 R95 S96 Y107 | L58-L92 HydrophobicContact CD1-CB 4.03Å; L58-L92 HydrophobicContact CD2-CD1 3.89Å; H88-L92 WeakPolarHBondContact O-CG 3.33Å; H88-L92 PolarHBondContact O-N 3.12Å; V89-L92 PolarHBondContact O-N 2.98Å; L92-R95 VanDerWaalsContact CD2-NH2 3.26Å; L92-S96 PolarHBondContact O-N 3.44Å; L92-S96 VanDerWaalsContact O-N 3.08Å; L92-Y107 WeakPolarHBondContact CD2-OH 3.47Å |
| 93 | M | 92.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.5 | -49.6 | 176 | -172.6 | -179.5 | 71.2 | 0 | 0 | 111.3 | N70 V73 V89 Y90 G91 R95 S96 E97 | N70-M93 HydrophobicContact CB-SD 4.4Å; N70-M93 WeakPolarHBondContact OD1-CE 3.4Å; N70-M93 PolarHBondContact OD1-SD 3.12Å; V73-M93 HydrophobicContact CB-CE 3.94Å; V73-M93 HydrophobicContact CB-SD 3.68Å; V73-M93 HydrophobicContact CG1-CE 3.9Å; V73-M93 HydrophobicContact CG1-SD 4.08Å; V73-M93 HydrophobicContact CG2-SD 3.64Å; V89-M93 PolarHBondContact O-N 3.35Å; Y90-M93 HydrophobicContact CD2-CE 3.71Å; Y90-M93 HydrophobicContact CE2-CE 3.82Å; Y90-M93 WeakPolarHBondContact O-CB 3.34Å; Y90-M93 PolarHBondContact O-N 2.98Å; G91-M93 VanDerWaalsContact C-N 3.29Å; G91-M93 PolarHBondContact O-N 3.45Å; M93-R95 VanDerWaalsContact C-N 3.27Å; M93-R95 PolarHBondContact O-N 2.7Å; M93-S96 PolarHBondContact O-N 3.47Å; M93-S96 VanDerWaalsContact O-N 3.07Å; M93-S96 PolarHBondContact O-OG 3.31Å; M93-E97 PolarHBondContact O-N 3.47Å |
| 94 | Q | 93.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -38.7 | 176 | -64.9 | -53 | -41.6 | 0 | 0 | 111.7 | Y90 G91 S96 E97 K98 K99 E102 A103 | Y90-Q94 HydrophobicContact CD1-CG 4.39Å; Y90-Q94 HydrophobicContact CE1-CG 4.04Å; Y90-Q94 HydrophobicContact CE2-CG 4.41Å; Y90-Q94 WeakPolarHBondContact O-CG 2.95Å; Y90-Q94 PolarHBondContact O-N 2.94Å; Y90-Q94 PolarHBondContact OH-NE2 3.32Å; G91-Q94 PolarHBondContact O-N 3.23Å; Q94-S96 VanDerWaalsContact C-N 3.35Å; Q94-S96 PolarHBondContact O-N 3.09Å; Q94-E97 CarbonylContact O-C 3.59Å; Q94-E97 PolarHBondContact O-N 2.8Å; Q94-E97 VanDerWaalsContact O-N 3.13Å; Q94-K98 PolarHBondContact O-N 3.31Å; Q94-K99 HydrophobicContact CB-CB 4.34Å; Q94-K99 PolarHBondContact O-N 3.42Å; Q94-E102 HydrophobicContact CB-CB 4.3Å; Q94-E102 HydrophobicContact CG-CB 4.07Å; Q94-A103 HydrophobicContact CB-CB 3.9Å |
| 95 | R | 93.1 | Very high | 94.1 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 22% | 0.223 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.2 | -43.5 | 173.8 | -176.6 | 177.6 | 75.3 | -177.1 | 2.7 | 111.9 | G91 L92 M93 E97 K98 Y100 A103 D123 L127 | G91-R95 WeakPolarHBondContact O-CB 3.45Å; G91-R95 PolarHBondContact O-N 3.47Å; L92-R95 VanDerWaalsContact CD2-NH2 3.26Å; M93-R95 VanDerWaalsContact C-N 3.27Å; M93-R95 PolarHBondContact O-N 2.7Å; R95-E97 PolarHBondContact O-N 3.15Å; R95-K98 PolarHBondContact O-N 2.93Å; R95-Y100 HydrophobicContact CG-CD1 4.36Å; R95-Y100 HydrophobicContact CG-CE1 3.97Å; R95-A103 HydrophobicContact CB-CB 4.22Å; R95-D123 IonicContact CZ-OD1 3.5Å; R95-D123 IonicContact NH1-OD1 2.96Å; R95-D123 PolarHBondContact NH1-OD1 2.92Å; R95-L127 HydrophobicContact CG-CD2 4Å |
| 96 | S | 89.6 | Confident | 94.3 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.4 | -19 | 178.3 | 75.9 | 0 | 0 | 0 | 0 | 114 | N61 L92 M93 Q94 | N61-S96 PolarHBondContact ND2-OG 2.82Å; L92-S96 PolarHBondContact O-N 3.44Å; L92-S96 VanDerWaalsContact O-N 3.08Å; M93-S96 PolarHBondContact O-N 3.47Å; M93-S96 VanDerWaalsContact O-N 3.07Å; M93-S96 PolarHBondContact O-OG 3.31Å; Q94-S96 VanDerWaalsContact C-N 3.35Å; Q94-S96 PolarHBondContact O-N 3.09Å |
| 97 | E | 88.8 | Confident | 94.4 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 9.2 | 172.8 | -63.3 | -175.2 | 176.8 | 0 | 0 | 112.6 | N70 M93 Q94 R95 K99 | N70-E97 PolarHBondContact ND2-OE1 3.21Å; M93-E97 PolarHBondContact O-N 3.47Å; Q94-E97 CarbonylContact O-C 3.59Å; Q94-E97 PolarHBondContact O-N 2.8Å; Q94-E97 VanDerWaalsContact O-N 3.13Å; R95-E97 PolarHBondContact O-N 3.15Å; E97-K99 HydrophobicContact CB-CD 4.18Å; E97-K99 HydrophobicContact CB-CG 4.33Å; E97-K99 PolarHBondContact O-N 3.06Å; E97-K99 WeakPolarHBondContact OE2-CE 3.46Å; E97-K99 IonicContact OE2-NZ 3.33Å; E97-K99 PolarHBondContact OE2-NZ 3.01Å |
| 98 | K | 89.8 | Confident | 94.4 | Very high | 99 Ų | 99 | 42 Ų | 42 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22.5 | -176.1 | -55.2 | -179 | 174.1 | -172.4 | 0 | 113.9 | Q94 R95 Y100 D523 E526 | Q94-K98 PolarHBondContact O-N 3.31Å; R95-K98 PolarHBondContact O-N 2.93Å; K98-Y100 PolarHBondContact O-N 3.17Å; K98-D523 IonicContact NZ-OD1 3.68Å; K98-D523 PolarHBondContact NZ-OD1 3.43Å; K98-E526 HydrophobicContact CD-CG 3.96Å |
| 99 | K | 93.1 | Very high | 94.4 | Very high | 103 Ų | 103 | 42.7 Ų | 42.7 | 45% | 0.448 | 20% | 0.196 | S | C | . | . | trans | -91.5 | 70.7 | 176.4 | -67.8 | 169.8 | -178.9 | 165.2 | 0 | 110.2 | Q94 E97 D101 E102 A103 | Q94-K99 HydrophobicContact CB-CB 4.34Å; Q94-K99 PolarHBondContact O-N 3.42Å; E97-K99 HydrophobicContact CB-CD 4.18Å; E97-K99 HydrophobicContact CB-CG 4.33Å; E97-K99 PolarHBondContact O-N 3.06Å; E97-K99 WeakPolarHBondContact OE2-CE 3.46Å; E97-K99 IonicContact OE2-NZ 3.33Å; E97-K99 PolarHBondContact OE2-NZ 3.01Å; K99-D101 PolarHBondContact O-N 3.36Å; K99-E102 HydrophobicContact CB-CB 4.38Å; K99-E102 PolarHBondContact O-N 2.91Å; K99-A103 PolarHBondContact O-N 3.18Å | ||
| 100 | Y | 95.8 | Very high | 94.4 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 7% | 0.071 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -37.6 | -169.9 | -61.6 | -41.7 | 0 | 0 | 0 | 114.4 | R95 K98 E102 A103 I104 L127 Q130 M131 E526 | R95-Y100 HydrophobicContact CG-CD1 4.36Å; R95-Y100 HydrophobicContact CG-CE1 3.97Å; K98-Y100 PolarHBondContact O-N 3.17Å; Y100-E102 VanDerWaalsContact C-N 3.32Å; Y100-E102 PolarHBondContact O-N 3.46Å; Y100-A103 PolarHBondContact O-N 2.81Å; Y100-I104 VanDerWaalsContact O-CG1 3.3Å; Y100-I104 WeakPolarHBondContact O-CG1 2.89Å; Y100-I104 PolarHBondContact O-N 3.46Å; Y100-L127 HydrophobicContact CD1-CD2 3.4Å; Y100-L127 HydrophobicContact CE1-CD2 3.85Å; Y100-L127 HydrophobicContact CG-CD2 4.12Å; Y100-Q130 HydrophobicContact CD2-CG 3.86Å; Y100-Q130 HydrophobicContact CE2-CG 3.7Å; Y100-M131 VanDerWaalsContact CB-SD 3.56Å; Y100-M131 HydrophobicContact CD2-SD 3.7Å; Y100-M131 HydrophobicContact CG-SD 4.09Å; Y100-E526 WeakPolarHBondContact CE2-OE1 3.31Å; Y100-E526 WeakPolarHBondContact CE2-OE2 3.26Å; Y100-E526 PolarHBondContact OH-OE2 3.42Å |
| 101 | D | 95 | Very high | 94.5 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 52% | 0.519 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.8 | -64.4 | -46.1 | 0 | 0 | 0 | 112.2 | K99 I104 K105 | K99-D101 PolarHBondContact O-N 3.36Å; D101-I104 PolarHBondContact O-N 3.47Å; D101-K105 WeakPolarHBondContact O-CG 3.22Å; D101-K105 PolarHBondContact O-N 3.15Å; D101-K105 VanDerWaalsContact O-N 3.11Å |
| 102 | E | 95.1 | Very high | 94.4 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.7 | -37.7 | 177.2 | -67.1 | -57.2 | 135.5 | 0 | 0 | 111.8 | Q94 K99 Y100 K105 A106 | Q94-E102 HydrophobicContact CB-CB 4.3Å; Q94-E102 HydrophobicContact CG-CB 4.07Å; K99-E102 HydrophobicContact CB-CB 4.38Å; K99-E102 PolarHBondContact O-N 2.91Å; Y100-E102 VanDerWaalsContact C-N 3.32Å; Y100-E102 PolarHBondContact O-N 3.46Å; E102-K105 PolarHBondContact O-N 2.78Å; E102-K105 IonicContact OE1-NZ 2.97Å; E102-K105 PolarHBondContact OE1-NZ 3.24Å; E102-A106 WeakPolarHBondContact O-CB 3.16Å; E102-A106 PolarHBondContact O-N 2.87Å |
| 103 | A | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G91 Q94 R95 K99 Y100 A106 Y107 L127 | G91-A103 WeakPolarHBondContact O-CB 3.26Å; Q94-A103 HydrophobicContact CB-CB 3.9Å; R95-A103 HydrophobicContact CB-CB 4.22Å; K99-A103 PolarHBondContact O-N 3.18Å; Y100-A103 PolarHBondContact O-N 2.81Å; A103-A106 WeakPolarHBondContact O-CB 3.41Å; A103-A106 PolarHBondContact O-N 3.16Å; A103-Y107 PolarHBondContact O-N 2.92Å; A103-L127 HydrophobicContact CB-CD1 3.42Å; A103-L127 VanDerWaalsContact CB-CD1 3.42Å |
| 104 | I | 97.2 | Very high | 94.5 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 174.6 | -71.2 | 167.7 | 0 | 0 | 0 | 110.6 | Y100 D101 A106 Y107 R108 L124 L127 M131 | Y100-I104 VanDerWaalsContact O-CG1 3.3Å; Y100-I104 WeakPolarHBondContact O-CG1 2.89Å; Y100-I104 PolarHBondContact O-N 3.46Å; D101-I104 PolarHBondContact O-N 3.47Å; I104-A106 VanDerWaalsContact C-N 3.3Å; I104-A106 PolarHBondContact O-N 3.24Å; I104-Y107 PolarHBondContact O-N 3.47Å; I104-R108 HydrophobicContact CG2-CG 4.45Å; I104-R108 WeakPolarHBondContact O-CB 3.44Å; I104-R108 WeakPolarHBondContact O-CG 3.37Å; I104-R108 PolarHBondContact O-N 3.49Å; I104-L124 HydrophobicContact CB-CD1 4.39Å; I104-L124 HydrophobicContact CG1-CD1 4.3Å; I104-L124 HydrophobicContact CG2-CD1 3.94Å; I104-L127 HydrophobicContact CD1-CB 4.03Å; I104-L127 HydrophobicContact CG1-CB 3.62Å; I104-L127 HydrophobicContact CG1-CD1 4Å; I104-L127 HydrophobicContact CG1-CG 4.5Å; I104-M131 HydrophobicContact CD1-CB 4.25Å; I104-M131 HydrophobicContact CD1-CG 3.92Å |
| 105 | K | 96.6 | Very high | 94.4 | Very high | 110 Ų | 110 | 62.1 Ų | 62.1 | 48% | 0.478 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 175.7 | -69.7 | 170.8 | -167.1 | 170.6 | 0 | 111.4 | D101 E102 R108 N109 | D101-K105 WeakPolarHBondContact O-CG 3.22Å; D101-K105 PolarHBondContact O-N 3.15Å; D101-K105 VanDerWaalsContact O-N 3.11Å; E102-K105 PolarHBondContact O-N 2.78Å; E102-K105 IonicContact OE1-NZ 2.97Å; E102-K105 PolarHBondContact OE1-NZ 3.24Å; K105-R108 PolarHBondContact O-N 3.17Å; K105-N109 PolarHBondContact O-N 2.75Å |
| 106 | A | 96.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W87 Y90 E102 A103 I104 N109 A110 | W87-A106 HydrophobicContact CE3-CB 4.18Å; Y90-A106 HydrophobicContact CD1-CB 3.74Å; Y90-A106 HydrophobicContact CE1-CB 4.46Å; E102-A106 WeakPolarHBondContact O-CB 3.16Å; E102-A106 PolarHBondContact O-N 2.87Å; A103-A106 WeakPolarHBondContact O-CB 3.41Å; A103-A106 PolarHBondContact O-N 3.16Å; I104-A106 VanDerWaalsContact C-N 3.3Å; I104-A106 PolarHBondContact O-N 3.24Å; A106-N109 PolarHBondContact O-N 3.44Å; A106-A110 PolarHBondContact O-N 3.24Å |
| 107 | Y | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 177.3 | -64.9 | -22.5 | 0 | 0 | 0 | 112.8 | H88 L92 A103 I104 N109 A110 L111 I120 D123 L124 L127 | H88-Y107 AromaticContact CD2-CD1 3.95Å; H88-Y107 AromaticContact CD2-CE1 3.55Å; L92-Y107 WeakPolarHBondContact CD2-OH 3.47Å; A103-Y107 PolarHBondContact O-N 2.92Å; I104-Y107 PolarHBondContact O-N 3.47Å; Y107-N109 VanDerWaalsContact C-N 3.29Å; Y107-N109 PolarHBondContact O-N 3.38Å; Y107-A110 WeakPolarHBondContact O-CB 3.43Å; Y107-A110 PolarHBondContact O-N 3.34Å; Y107-L111 WeakPolarHBondContact O-CG 2.88Å; Y107-L111 PolarHBondContact O-N 2.95Å; Y107-I120 HydrophobicContact CD1-CG2 4.32Å; Y107-I120 HydrophobicContact CG-CG2 4.32Å; Y107-D123 HydrophobicContact CD2-CB 4.35Å; Y107-D123 HydrophobicContact CE2-CB 3.71Å; Y107-L124 HydrophobicContact CD2-CB 4.17Å; Y107-L127 HydrophobicContact CD2-CD1 3.74Å; Y107-L127 HydrophobicContact CE2-CD1 3.32Å; Y107-L127 HydrophobicContact CE2-CG 4.04Å |
| 108 | R | 96.1 | Very high | 94.9 | Very high | 117 Ų | 117 | 65.2 Ų | 65.2 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -39.4 | 173.4 | -73.8 | 179.1 | 179.1 | 176.7 | 1.9 | 111.6 | I104 K105 L111 K112 L124 D133 | I104-R108 HydrophobicContact CG2-CG 4.45Å; I104-R108 WeakPolarHBondContact O-CB 3.44Å; I104-R108 WeakPolarHBondContact O-CG 3.37Å; I104-R108 PolarHBondContact O-N 3.49Å; K105-R108 PolarHBondContact O-N 3.17Å; R108-L111 PolarHBondContact O-N 3.44Å; R108-K112 WeakPolarHBondContact O-CG 3.46Å; R108-K112 PolarHBondContact O-N 3.48Å; R108-K112 VanDerWaalsContact O-N 3.09Å; R108-L124 HydrophobicContact CG-CD1 4.46Å; R108-L124 HydrophobicContact CG-CD2 4.4Å; R108-D133 IonicContact NH2-OD2 3.07Å; R108-D133 PolarHBondContact NH2-OD2 3.02Å |
| 109 | N | 95.5 | Very high | 95 | Very high | 45 Ų | 45 | 64.7 Ų | 64.7 | 24% | 0.241 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 174.8 | -75.2 | -26.9 | 0 | 0 | 0 | 112.7 | W87 K105 A106 Y107 L111 K112 | W87-N109 HydrophobicContact CD2-CB 3.66Å; W87-N109 HydrophobicContact CE3-CB 3.88Å; W87-N109 HydrophobicContact CG-CB 4.07Å; W87-N109 HydrophobicContact CH2-CB 4.45Å; W87-N109 WeakPolarHBondContact CH2-ND2 3.32Å; W87-N109 HydrophobicContact CZ2-CB 4.26Å; W87-N109 HydrophobicContact CZ3-CB 4.27Å; K105-N109 PolarHBondContact O-N 2.75Å; A106-N109 PolarHBondContact O-N 3.44Å; Y107-N109 VanDerWaalsContact C-N 3.29Å; Y107-N109 PolarHBondContact O-N 3.38Å; N109-L111 VanDerWaalsContact C-N 3.34Å; N109-L111 PolarHBondContact O-N 3.28Å; N109-K112 PolarHBondContact O-N 3.48Å; N109-K112 PolarHBondContact OD1-NZ 3.4Å |
| 110 | A | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -43.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H84 W87 A106 Y107 K112 I113 E114 I120 | H84-A110 HydrophobicContact CB-CB 4.43Å; W87-A110 HydrophobicContact CB-CB 3.62Å; A106-A110 PolarHBondContact O-N 3.24Å; Y107-A110 WeakPolarHBondContact O-CB 3.43Å; Y107-A110 PolarHBondContact O-N 3.34Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 3.33Å; A110-I113 WeakPolarHBondContact O-CB 3.35Å; A110-I113 PolarHBondContact O-N 3.2Å; A110-I113 VanDerWaalsContact O-N 3.11Å; A110-E114 PolarHBondContact O-N 3.3Å; A110-I120 HydrophobicContact CB-CD1 3.86Å; A110-I120 HydrophobicContact CB-CG2 4.21Å |
| 111 | L | 95.7 | Very high | 95.2 | Very high | 20 Ų | 20 | 59 Ų | 59 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.4 | -22.1 | 179.3 | -69.6 | 168.1 | 0 | 0 | 0 | 113.8 | Y107 R108 N109 I113 E114 K115 I120 L121 L124 | Y107-L111 WeakPolarHBondContact O-CG 2.88Å; Y107-L111 PolarHBondContact O-N 2.95Å; R108-L111 PolarHBondContact O-N 3.44Å; N109-L111 VanDerWaalsContact C-N 3.34Å; N109-L111 PolarHBondContact O-N 3.28Å; L111-I113 PolarHBondContact O-N 2.88Å; L111-E114 CarbonylContact O-C 3.58Å; L111-K115 VanDerWaalsContact O-CA 3.24Å; L111-K115 WeakPolarHBondContact O-CA 3.45Å; L111-K115 VanDerWaalsContact O-CG 3.23Å; L111-K115 WeakPolarHBondContact O-CG 3.43Å; L111-K115 PolarHBondContact O-N 3.15Å; L111-I120 HydrophobicContact CD1-CG2 4.1Å; L111-I120 HydrophobicContact CD2-CB 3.94Å; L111-I120 HydrophobicContact CD2-CG2 3.87Å; L111-I120 HydrophobicContact CG-CB 4.31Å; L111-I120 HydrophobicContact CG-CG2 3.66Å; L111-L121 HydrophobicContact CD1-CD2 3.7Å; L111-L121 HydrophobicContact CD1-CG 4.39Å; L111-L121 HydrophobicContact CD2-CD2 3.81Å; L111-L121 HydrophobicContact CD2-CG 3.77Å; L111-L121 HydrophobicContact CG-CD2 4.41Å; L111-L124 HydrophobicContact CD1-CD2 3.48Å; L111-L124 VanDerWaalsContact CD1-CD2 3.48Å |
| 112 | K | 95 | Very high | 95.2 | Very high | 149 Ų | 149 | 59.2 Ų | 59.2 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.4 | -31.4 | 169.2 | -74.4 | 171.6 | -170.4 | 166.7 | 0 | 111.8 | R108 N109 A110 | R108-K112 WeakPolarHBondContact O-CG 3.46Å; R108-K112 PolarHBondContact O-N 3.48Å; R108-K112 VanDerWaalsContact O-N 3.09Å; N109-K112 PolarHBondContact O-N 3.48Å; N109-K112 PolarHBondContact OD1-NZ 3.4Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 3.33Å |
| 113 | I | 93.5 | Very high | 95.2 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 39% | 0.39 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -84.5 | -53 | 179.7 | -61.2 | 155.5 | 0 | 0 | 0 | 109.7 | R82 H84 A110 L111 | R82-I113 WeakPolarHBondContact O-CD1 3.43Å; R82-I113 VanDerWaalsContact O-CG2 3.26Å; R82-I113 WeakPolarHBondContact O-CG2 3.14Å; H84-I113 HydrophobicContact CB-CB 4.25Å; H84-I113 HydrophobicContact CB-CG2 4.17Å; A110-I113 WeakPolarHBondContact O-CB 3.35Å; A110-I113 PolarHBondContact O-N 3.2Å; A110-I113 VanDerWaalsContact O-N 3.11Å; L111-I113 PolarHBondContact O-N 2.88Å |
| 114 | E | 92.7 | Very high | 95.3 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 35% | 0.346 | 25% | 0.254 | S | S | . | . | trans | -122 | 92 | 179.1 | -168.1 | -178.5 | -152.6 | 0 | 0 | 110.6 | H84 A110 L111 E116 N117 | H84-E114 HydrophobicContact CB-CB 3.99Å; H84-E114 IonicContact CD2-OE2 3.41Å; H84-E114 PolarHBondContact CD2-OE2 3.27Å; H84-E114 IonicContact CE1-OE2 2.75Å; H84-E114 PolarHBondContact CE1-OE2 3.06Å; H84-E114 IonicContact CG-OE2 3.58Å; H84-E114 IonicContact ND1-OE2 2.87Å; H84-E114 IonicContact NE2-OE2 3.02Å; H84-E114 PolarHBondContact NE2-OE2 3.39Å; H84-E114 VanDerWaalsContact NE2-OE2 3.14Å; A110-E114 PolarHBondContact O-N 3.3Å; L111-E114 CarbonylContact O-C 3.58Å; E114-E116 VanDerWaalsContact C-N 3.32Å; E114-E116 PolarHBondContact O-N 2.67Å; E114-N117 HydrophobicContact CB-CB 4.45Å; E114-N117 HydrophobicContact CG-CB 4.05Å; E114-N117 WeakPolarHBondContact OE2-CB 3.31Å; E114-N117 PolarHBondContact OE2-ND2 3.41Å | ||
| 115 | K | 92.3 | Very high | 95.3 | Very high | 156 Ų | 156 | 55.9 Ų | 55.9 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -31.1 | -172 | -65.8 | 179.8 | -179.5 | -178.9 | 0 | 114.1 | L111 | L111-K115 VanDerWaalsContact O-CA 3.24Å; L111-K115 WeakPolarHBondContact O-CA 3.45Å; L111-K115 VanDerWaalsContact O-CG 3.23Å; L111-K115 WeakPolarHBondContact O-CG 3.43Å; L111-K115 PolarHBondContact O-N 3.15Å |
| 116 | E | 93 | Very high | 95.2 | Very high | 145 Ų | 145 | 51.4 Ų | 51.4 | 68% | 0.678 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 13.4 | -171.5 | -60.5 | -176.5 | 175.4 | 0 | 0 | 113.2 | E114 I118 L147 | E114-E116 VanDerWaalsContact C-N 3.32Å; E114-E116 PolarHBondContact O-N 2.67Å; E116-I118 PolarHBondContact O-N 3.43Å; E116-L147 HydrophobicContact CB-CD1 4.42Å; E116-L147 HydrophobicContact CB-CD2 4.22Å; E116-L147 HydrophobicContact CG-CD2 4.17Å |
| 117 | N | 94.2 | Very high | 95.3 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | trans | -72.2 | 99.9 | 178.9 | -167.2 | -42.8 | 0 | 0 | 0 | 111.2 | E114 Q119 I120 L121 | E114-N117 HydrophobicContact CB-CB 4.45Å; E114-N117 HydrophobicContact CG-CB 4.05Å; E114-N117 WeakPolarHBondContact OE2-CB 3.31Å; E114-N117 PolarHBondContact OE2-ND2 3.41Å; N117-Q119 VanDerWaalsContact C-N 3.26Å; N117-Q119 PolarHBondContact O-N 2.87Å; N117-Q119 PolarHBondContact OD1-N 2.9Å; N117-Q119 VanDerWaalsContact OD1-N 3.11Å; N117-I120 HydrophobicContact CB-CB 4.25Å; N117-I120 HydrophobicContact CB-CD1 3.88Å; N117-I120 HydrophobicContact CB-CG1 4.06Å; N117-I120 PolarHBondContact O-N 3.34Å; N117-I120 PolarHBondContact OD1-N 3.11Å; N117-L121 WeakPolarHBondContact O-CG 3.46Å; N117-L121 PolarHBondContact O-N 3.39Å | ||
| 118 | I | 93.9 | Very high | 95.2 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.8 | -37.7 | -177.2 | -60.7 | 172 | 0 | 0 | 0 | 112.2 | E116 R122 L144 L147 R148 | E116-I118 PolarHBondContact O-N 3.43Å; I118-R122 HydrophobicContact CG2-CG 4.37Å; I118-R122 WeakPolarHBondContact O-CB 3.15Å; I118-R122 VanDerWaalsContact O-CG 3.25Å; I118-R122 WeakPolarHBondContact O-CG 3.22Å; I118-R122 PolarHBondContact O-N 3.46Å; I118-L144 HydrophobicContact CG2-CD2 3.89Å; I118-L147 HydrophobicContact CG1-CD1 4.29Å; I118-R148 HydrophobicContact CD1-CG 3.81Å |
| 119 | Q | 92.9 | Very high | 95.2 | Very high | 89 Ų | 89 | 46 Ų | 46 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.1 | -43.5 | -177.5 | -177.5 | 56.4 | 36.8 | 0 | 0 | 110.9 | N117 R122 D123 | N117-Q119 VanDerWaalsContact C-N 3.26Å; N117-Q119 PolarHBondContact O-N 2.87Å; N117-Q119 PolarHBondContact OD1-N 2.9Å; N117-Q119 VanDerWaalsContact OD1-N 3.11Å; Q119-R122 PolarHBondContact O-N 3.11Å; Q119-D123 PolarHBondContact NE2-OD2 3.41Å; Q119-D123 PolarHBondContact O-N 3.25Å |
| 120 | I | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 178.2 | -55.2 | 176.8 | 0 | 0 | 0 | 110.5 | H88 Y107 A110 L111 N117 R122 D123 L124 | H88-I120 HydrophobicContact CB-CD1 3.92Å; H88-I120 HydrophobicContact CB-CG1 4.15Å; Y107-I120 HydrophobicContact CD1-CG2 4.32Å; Y107-I120 HydrophobicContact CG-CG2 4.32Å; A110-I120 HydrophobicContact CB-CD1 3.86Å; A110-I120 HydrophobicContact CB-CG2 4.21Å; L111-I120 HydrophobicContact CD1-CG2 4.1Å; L111-I120 HydrophobicContact CD2-CB 3.94Å; L111-I120 HydrophobicContact CD2-CG2 3.87Å; L111-I120 HydrophobicContact CG-CB 4.31Å; L111-I120 HydrophobicContact CG-CG2 3.66Å; N117-I120 HydrophobicContact CB-CB 4.25Å; N117-I120 HydrophobicContact CB-CD1 3.88Å; N117-I120 HydrophobicContact CB-CG1 4.06Å; N117-I120 PolarHBondContact O-N 3.34Å; N117-I120 PolarHBondContact OD1-N 3.11Å; I120-R122 VanDerWaalsContact C-N 3.32Å; I120-R122 PolarHBondContact O-N 3.04Å; I120-D123 PolarHBondContact O-N 3.44Å; I120-L124 VanDerWaalsContact O-CB 3.28Å; I120-L124 WeakPolarHBondContact O-CB 3.41Å; I120-L124 PolarHBondContact O-N 2.76Å |
| 121 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 174.2 | -72.6 | 170.5 | 0 | 0 | 0 | 111.9 | L111 N117 L124 S125 T140 Q143 L144 L147 | L111-L121 HydrophobicContact CD1-CD2 3.7Å; L111-L121 HydrophobicContact CD1-CG 4.39Å; L111-L121 HydrophobicContact CD2-CD2 3.81Å; L111-L121 HydrophobicContact CD2-CG 3.77Å; L111-L121 HydrophobicContact CG-CD2 4.41Å; N117-L121 WeakPolarHBondContact O-CG 3.46Å; N117-L121 PolarHBondContact O-N 3.39Å; L121-L124 PolarHBondContact O-N 3.05Å; L121-S125 WeakPolarHBondContact O-CB 3.36Å; L121-S125 PolarHBondContact O-N 3.37Å; L121-T140 HydrophobicContact CB-CG2 4.21Å; L121-T140 HydrophobicContact CD2-CG2 3.93Å; L121-T140 WeakPolarHBondContact O-CG2 3.39Å; L121-Q143 HydrophobicContact CD1-CB 4.4Å; L121-Q143 VanDerWaalsContact CD2-OE1 3.29Å; L121-L144 HydrophobicContact CB-CD1 4.29Å; L121-L144 HydrophobicContact CB-CD2 3.71Å; L121-L144 HydrophobicContact CB-CG 3.92Å; L121-L144 HydrophobicContact CD1-CD2 4.23Å; L121-L147 HydrophobicContact CD1-CD1 3.59Å |
| 122 | R | 95.3 | Very high | 95.3 | Very high | 102 Ų | 102 | 50 Ų | 50 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.2 | -52.8 | 175.3 | -75.1 | 176.3 | 68.2 | -171.1 | 1.4 | 110.9 | I118 Q119 I120 L124 S125 L126 L144 | I118-R122 HydrophobicContact CG2-CG 4.37Å; I118-R122 WeakPolarHBondContact O-CB 3.15Å; I118-R122 VanDerWaalsContact O-CG 3.25Å; I118-R122 WeakPolarHBondContact O-CG 3.22Å; I118-R122 PolarHBondContact O-N 3.46Å; Q119-R122 PolarHBondContact O-N 3.11Å; I120-R122 VanDerWaalsContact C-N 3.32Å; I120-R122 PolarHBondContact O-N 3.04Å; R122-L124 VanDerWaalsContact C-N 3.28Å; R122-L124 PolarHBondContact O-N 3.45Å; R122-S125 PolarHBondContact O-N 3.2Å; R122-S125 VanDerWaalsContact O-N 3.16Å; R122-S125 PolarHBondContact O-OG 3Å; R122-L126 WeakPolarHBondContact O-CG 3.4Å; R122-L126 PolarHBondContact O-N 3.33Å; R122-L126 VanDerWaalsContact O-N 3.13Å; R122-L144 HydrophobicContact CG-CD1 4.02Å; R122-L144 HydrophobicContact CG-CD2 3.97Å |
| 123 | D | 95.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -40.4 | 179.4 | -74.8 | -41 | 0 | 0 | 0 | 111.9 | H88 R95 Y107 Q119 I120 L126 L127 | H88-D123 IonicContact CE1-OD2 3.95Å; H88-D123 IonicContact NE2-OD2 2.76Å; H88-D123 PolarHBondContact NE2-OD2 2.71Å; R95-D123 IonicContact CZ-OD1 3.5Å; R95-D123 IonicContact NH1-OD1 2.96Å; R95-D123 PolarHBondContact NH1-OD1 2.92Å; Y107-D123 HydrophobicContact CD2-CB 4.35Å; Y107-D123 HydrophobicContact CE2-CB 3.71Å; Q119-D123 PolarHBondContact NE2-OD2 3.41Å; Q119-D123 PolarHBondContact O-N 3.25Å; I120-D123 PolarHBondContact O-N 3.44Å; D123-L126 PolarHBondContact O-N 2.96Å; D123-L127 PolarHBondContact O-N 2.85Å |
| 124 | L | 97.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -48.6 | 174.5 | 176.1 | 61.4 | 0 | 0 | 0 | 111.7 | I104 Y107 R108 L111 I120 L121 R122 L126 L127 Q128 T140 | I104-L124 HydrophobicContact CB-CD1 4.39Å; I104-L124 HydrophobicContact CG1-CD1 4.3Å; I104-L124 HydrophobicContact CG2-CD1 3.94Å; Y107-L124 HydrophobicContact CD2-CB 4.17Å; R108-L124 HydrophobicContact CG-CD1 4.46Å; R108-L124 HydrophobicContact CG-CD2 4.4Å; L111-L124 HydrophobicContact CD1-CD2 3.48Å; L111-L124 VanDerWaalsContact CD1-CD2 3.48Å; I120-L124 VanDerWaalsContact O-CB 3.28Å; I120-L124 WeakPolarHBondContact O-CB 3.41Å; I120-L124 PolarHBondContact O-N 2.76Å; L121-L124 PolarHBondContact O-N 3.05Å; R122-L124 VanDerWaalsContact C-N 3.28Å; R122-L124 PolarHBondContact O-N 3.45Å; L124-L126 PolarHBondContact O-N 3.2Å; L124-L127 PolarHBondContact O-N 3.4Å; L124-L127 VanDerWaalsContact O-N 3.11Å; L124-Q128 HydrophobicContact CD1-CG 3.86Å; L124-Q128 HydrophobicContact CG-CG 4.18Å; L124-Q128 WeakPolarHBondContact O-CG 3.38Å; L124-Q128 PolarHBondContact O-N 3.41Å; L124-T140 HydrophobicContact CB-CG2 4.47Å; L124-T140 HydrophobicContact CD2-CG2 4.3Å; L124-T140 HydrophobicContact CG-CG2 4.39Å |
| 125 | S | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.6 | -35.7 | -179.8 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | L121 R122 L129 Y137 R141 | L121-S125 WeakPolarHBondContact O-CB 3.36Å; L121-S125 PolarHBondContact O-N 3.37Å; R122-S125 PolarHBondContact O-N 3.2Å; R122-S125 VanDerWaalsContact O-N 3.16Å; R122-S125 PolarHBondContact O-OG 3Å; S125-L129 WeakPolarHBondContact O-CB 3.25Å; S125-L129 PolarHBondContact O-N 2.92Å; S125-L129 VanDerWaalsContact O-N 3.12Å; S125-Y137 WeakPolarHBondContact O-CD2 3.4Å; S125-R141 PolarHBondContact OG-NH2 2.93Å |
| 126 | L | 96.4 | Very high | 96 | Very high | 16 Ų | 16 | 38 Ų | 38 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66 | -43.7 | 177.1 | -60 | 175.5 | 0 | 0 | 0 | 111.1 | R122 D123 L124 L129 Q130 F529 H532 T533 | R122-L126 WeakPolarHBondContact O-CG 3.4Å; R122-L126 PolarHBondContact O-N 3.33Å; R122-L126 VanDerWaalsContact O-N 3.13Å; D123-L126 PolarHBondContact O-N 2.96Å; L124-L126 PolarHBondContact O-N 3.2Å; L126-L129 PolarHBondContact O-N 3.31Å; L126-Q130 WeakPolarHBondContact O-CB 3.5Å; L126-Q130 PolarHBondContact O-N 3.46Å; L126-F529 HydrophobicContact CB-CE2 3.99Å; L126-F529 HydrophobicContact CB-CZ 3.97Å; L126-F529 HydrophobicContact CD1-CZ 4.49Å; L126-H532 HydrophobicContact CD2-CB 3.53Å; L126-T533 WeakPolarHBondContact CD2-OG1 3.5Å |
| 127 | L | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.4 | -39.8 | 178.3 | -67.2 | -170.1 | 0 | 0 | 0 | 112.9 | R95 Y100 A103 I104 Y107 D123 L124 L129 Q130 M131 F529 | R95-L127 HydrophobicContact CG-CD2 4Å; Y100-L127 HydrophobicContact CD1-CD2 3.4Å; Y100-L127 HydrophobicContact CE1-CD2 3.85Å; Y100-L127 HydrophobicContact CG-CD2 4.12Å; A103-L127 HydrophobicContact CB-CD1 3.42Å; A103-L127 VanDerWaalsContact CB-CD1 3.42Å; I104-L127 HydrophobicContact CD1-CB 4.03Å; I104-L127 HydrophobicContact CG1-CB 3.62Å; I104-L127 HydrophobicContact CG1-CD1 4Å; I104-L127 HydrophobicContact CG1-CG 4.5Å; Y107-L127 HydrophobicContact CD2-CD1 3.74Å; Y107-L127 HydrophobicContact CE2-CD1 3.32Å; Y107-L127 HydrophobicContact CE2-CG 4.04Å; D123-L127 PolarHBondContact O-N 2.85Å; L124-L127 PolarHBondContact O-N 3.4Å; L124-L127 VanDerWaalsContact O-N 3.11Å; L127-L129 VanDerWaalsContact C-N 3.27Å; L127-L129 PolarHBondContact O-N 2.92Å; L127-Q130 PolarHBondContact O-N 2.98Å; L127-M131 WeakPolarHBondContact O-CB 3.49Å; L127-M131 WeakPolarHBondContact O-CG 3.5Å; L127-M131 PolarHBondContact O-N 2.99Å; L127-F529 HydrophobicContact CD2-CE2 3.73Å; L127-F529 HydrophobicContact CD2-CZ 4.01Å |
| 128 | Q | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61 | -42.1 | 177.1 | -72.6 | 174.9 | -50.1 | 0 | 0 | 110.9 | L124 M131 R132 D133 G136 T140 | L124-Q128 HydrophobicContact CD1-CG 3.86Å; L124-Q128 HydrophobicContact CG-CG 4.18Å; L124-Q128 WeakPolarHBondContact O-CG 3.38Å; L124-Q128 PolarHBondContact O-N 3.41Å; Q128-M131 CarbonylContact O-C 3.58Å; Q128-M131 PolarHBondContact O-N 2.81Å; Q128-R132 PolarHBondContact O-N 3.1Å; Q128-D133 HydrophobicContact CB-CB 4.09Å; Q128-D133 HydrophobicContact CG-CB 4.3Å; Q128-D133 PolarHBondContact NE2-OD2 3.28Å; Q128-D133 PolarHBondContact O-N 3.07Å; Q128-G136 VanDerWaalsContact CD-O 3.31Å; Q128-G136 PolarHBondContact NE2-O 3.46Å; Q128-G136 PolarHBondContact OE1-O 2.92Å; Q128-T140 PolarHBondContact OE1-OG1 3.29Å |
| 129 | L | 96.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.5 | -41.3 | 176.6 | -166.7 | 54.3 | 0 | 0 | 0 | 112.2 | S125 L126 L127 M131 R132 L134 Y137 L160 L164 Y544 L548 | S125-L129 WeakPolarHBondContact O-CB 3.25Å; S125-L129 PolarHBondContact O-N 2.92Å; S125-L129 VanDerWaalsContact O-N 3.12Å; L126-L129 PolarHBondContact O-N 3.31Å; L127-L129 VanDerWaalsContact C-N 3.27Å; L127-L129 PolarHBondContact O-N 2.92Å; L129-M131 VanDerWaalsContact C-N 3.25Å; L129-M131 PolarHBondContact O-N 3.21Å; L129-R132 PolarHBondContact O-N 3.38Å; L129-R132 VanDerWaalsContact O-N 3.1Å; L129-R132 PolarHBondContact O-NH1 3.29Å; L129-L134 HydrophobicContact CD1-CD2 4.14Å; L129-Y137 HydrophobicContact CB-CD2 3.82Å; L129-Y137 HydrophobicContact CB-CE2 4Å; L129-Y137 HydrophobicContact CB-CG 4.35Å; L129-Y137 HydrophobicContact CD1-CD1 4.38Å; L129-Y137 HydrophobicContact CD1-CG 4.4Å; L129-Y137 HydrophobicContact CD2-CD2 4.37Å; L129-Y137 HydrophobicContact CD2-CE1 4.38Å; L129-Y137 HydrophobicContact CD2-CE2 3.82Å; L129-Y137 HydrophobicContact CG-CD2 4.5Å; L129-Y137 HydrophobicContact CG-CE2 4.42Å; L129-L160 HydrophobicContact CD2-CD2 4.31Å; L129-L164 HydrophobicContact CD1-CD1 3.58Å; L129-Y544 HydrophobicContact CD2-CE1 4.36Å; L129-Y544 WeakPolarHBondContact CD2-OH 3.38Å; L129-L548 HydrophobicContact CD1-CD1 4.41Å |
| 130 | Q | 96.5 | Very high | 96.8 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 7% | 0.065 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.9 | -41.6 | 173.9 | -176.8 | 65.5 | 15.7 | 0 | 0 | 111.6 | Y100 L126 L127 R132 I525 F529 H532 | Y100-Q130 HydrophobicContact CD2-CG 3.86Å; Y100-Q130 HydrophobicContact CE2-CG 3.7Å; L126-Q130 WeakPolarHBondContact O-CB 3.5Å; L126-Q130 PolarHBondContact O-N 3.46Å; L127-Q130 PolarHBondContact O-N 2.98Å; Q130-R132 VanDerWaalsContact C-N 3.35Å; Q130-I525 PolarHBondContact NE2-O 3.36Å; Q130-F529 HydrophobicContact CB-CD2 4.13Å; Q130-F529 HydrophobicContact CB-CE2 4.4Å; Q130-F529 HydrophobicContact CG-CD2 4.13Å; Q130-H532 PolarHBondContact OE1-NE2 3.48Å |
| 131 | M | 95.7 | Very high | 96.8 | Very high | 75 Ų | 75 | 29.7 Ų | 29.7 | 37% | 0.369 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 2.6 | -179.8 | -61.7 | -53.4 | -67.8 | 0 | 0 | 114.2 | Y100 I104 L127 Q128 L129 D133 | Y100-M131 VanDerWaalsContact CB-SD 3.56Å; Y100-M131 HydrophobicContact CD2-SD 3.7Å; Y100-M131 HydrophobicContact CG-SD 4.09Å; I104-M131 HydrophobicContact CD1-CB 4.25Å; I104-M131 HydrophobicContact CD1-CG 3.92Å; L127-M131 WeakPolarHBondContact O-CB 3.49Å; L127-M131 WeakPolarHBondContact O-CG 3.5Å; L127-M131 PolarHBondContact O-N 2.99Å; Q128-M131 CarbonylContact O-C 3.58Å; Q128-M131 PolarHBondContact O-N 2.81Å; L129-M131 VanDerWaalsContact C-N 3.25Å; L129-M131 PolarHBondContact O-N 3.21Å; M131-D133 PolarHBondContact O-N 3.14Å |
| 132 | R | 96.2 | Very high | 96.8 | Very high | 60 Ų | 60 | 35.2 Ų | 35.2 | 23% | 0.226 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 32.2 | -174.6 | -54.5 | -62.5 | -174.1 | -93.4 | -5.7 | 114.1 | Q128 L129 Q130 L134 Q528 L548 D552 | Q128-R132 PolarHBondContact O-N 3.1Å; L129-R132 PolarHBondContact O-N 3.38Å; L129-R132 VanDerWaalsContact O-N 3.1Å; L129-R132 PolarHBondContact O-NH1 3.29Å; Q130-R132 VanDerWaalsContact C-N 3.35Å; R132-L134 PolarHBondContact O-N 2.92Å; R132-Q528 VanDerWaalsContact NH1-OE1 3.08Å; R132-L548 PolarHBondContact NH2-O 3.42Å; R132-L548 VanDerWaalsContact NH2-O 3.09Å; R132-D552 IonicContact CZ-OD1 3.47Å; R132-D552 IonicContact NE-OD1 3.66Å; R132-D552 PolarHBondContact NE-OD1 3.06Å; R132-D552 IonicContact NE-OD2 2.7Å; R132-D552 IonicContact NH2-OD1 3.43Å; R132-D552 PolarHBondContact NH2-OD1 2.86Å |
| 133 | D | 97.3 | Very high | 96.9 | Very high | 48 Ų | 48 | 34.4 Ų | 34.4 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | trans | -74.8 | 71.9 | 161.8 | 177.4 | 20.9 | 0 | 0 | 0 | 108.8 | R108 Q128 M131 G136 Y137 | R108-D133 IonicContact NH2-OD2 3.07Å; R108-D133 PolarHBondContact NH2-OD2 3.02Å; Q128-D133 HydrophobicContact CB-CB 4.09Å; Q128-D133 HydrophobicContact CG-CB 4.3Å; Q128-D133 PolarHBondContact NE2-OD2 3.28Å; Q128-D133 PolarHBondContact O-N 3.07Å; M131-D133 PolarHBondContact O-N 3.14Å; D133-G136 PolarHBondContact O-N 3.45Å; D133-G136 PolarHBondContact OD1-N 2.97Å; D133-G136 VanDerWaalsContact OD1-N 3.1Å; D133-Y137 WeakPolarHBondContact O-CB 3.39Å; D133-Y137 PolarHBondContact O-N 3.39Å | ||
| 134 | L | 97.5 | Very high | 96.9 | Very high | 49 Ų | 49 | 34.2 Ų | 34.2 | 26% | 0.257 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.7 | -39.3 | -170.9 | -57.5 | -177.4 | 0 | 0 | 0 | 112.4 | L129 R132 Y137 K138 L164 V165 | L129-L134 HydrophobicContact CD1-CD2 4.14Å; R132-L134 PolarHBondContact O-N 2.92Å; L134-Y137 WeakPolarHBondContact O-CB 3.02Å; L134-Y137 PolarHBondContact O-N 3.36Å; L134-K138 WeakPolarHBondContact O-CB 3.35Å; L134-K138 PolarHBondContact O-N 2.94Å; L134-L164 HydrophobicContact CD1-CB 4.25Å; L134-L164 WeakPolarHBondContact CD1-O 3.29Å; L134-L164 HydrophobicContact CD2-CB 4.17Å; L134-L164 HydrophobicContact CD2-CD1 4.15Å; L134-V165 HydrophobicContact CB-CG2 3.78Å |
| 135 | E | 97.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 35.6 Ų | 35.6 | 44% | 0.444 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.7 | -49.6 | 175 | -70.1 | -64.1 | 172.2 | 0 | 0 | 111.2 | Y137 K138 D139 V165 | E135-Y137 PolarHBondContact O-N 2.99Å; E135-K138 WeakPolarHBondContact O-CB 3.15Å; E135-K138 PolarHBondContact O-N 3.09Å; E135-K138 IonicContact OE1-NZ 3.39Å; E135-K138 WeakPolarHBondContact OE2-CE 3.5Å; E135-K138 IonicContact OE2-NZ 2.7Å; E135-K138 PolarHBondContact OE2-NZ 3.28Å; E135-D139 PolarHBondContact O-N 3.43Å; E135-V165 VanDerWaalsContact OE1-CG1 3.24Å; E135-V165 WeakPolarHBondContact OE1-CG1 3.48Å |
| 136 | G | 96.7 | Very high | 96.8 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -34.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q128 D133 T140 | Q128-G136 VanDerWaalsContact CD-O 3.31Å; Q128-G136 PolarHBondContact NE2-O 3.46Å; Q128-G136 PolarHBondContact OE1-O 2.92Å; D133-G136 PolarHBondContact O-N 3.45Å; D133-G136 PolarHBondContact OD1-N 2.97Å; D133-G136 VanDerWaalsContact OD1-N 3.1Å; G136-T140 WeakPolarHBondContact O-CB 3.28Å; G136-T140 PolarHBondContact O-N 3.19Å; G136-T140 PolarHBondContact O-OG1 3.3Å |
| 137 | Y | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -47.1 | 174.7 | 175.8 | -102.4 | 0 | 0 | 0 | 111.9 | S125 L129 D133 L134 E135 D139 T140 R141 G157 F536 | S125-Y137 WeakPolarHBondContact O-CD2 3.4Å; L129-Y137 HydrophobicContact CB-CD2 3.82Å; L129-Y137 HydrophobicContact CB-CE2 4Å; L129-Y137 HydrophobicContact CB-CG 4.35Å; L129-Y137 HydrophobicContact CD1-CD1 4.38Å; L129-Y137 HydrophobicContact CD1-CG 4.4Å; L129-Y137 HydrophobicContact CD2-CD2 4.37Å; L129-Y137 HydrophobicContact CD2-CE1 4.38Å; L129-Y137 HydrophobicContact CD2-CE2 3.82Å; L129-Y137 HydrophobicContact CG-CD2 4.5Å; L129-Y137 HydrophobicContact CG-CE2 4.42Å; D133-Y137 WeakPolarHBondContact O-CB 3.39Å; D133-Y137 PolarHBondContact O-N 3.39Å; L134-Y137 WeakPolarHBondContact O-CB 3.02Å; L134-Y137 PolarHBondContact O-N 3.36Å; E135-Y137 PolarHBondContact O-N 2.99Å; Y137-D139 PolarHBondContact O-N 3.35Å; Y137-T140 PolarHBondContact O-N 3.26Å; Y137-R141 HydrophobicContact CD1-CG 4.3Å; Y137-R141 HydrophobicContact CD2-CG 4.09Å; Y137-R141 HydrophobicContact CE1-CG 3.84Å; Y137-R141 HydrophobicContact CE2-CG 3.64Å; Y137-R141 HydrophobicContact CG-CG 4.41Å; Y137-R141 VanDerWaalsContact CZ-CG 3.48Å; Y137-R141 WeakPolarHBondContact O-CB 3.43Å; Y137-R141 VanDerWaalsContact O-CG 3.31Å; Y137-R141 WeakPolarHBondContact O-CG 3.46Å; Y137-R141 PolarHBondContact O-N 3.17Å; Y137-R141 PolarHBondContact OH-NE 2.99Å; Y137-G157 PolarHBondContact OH-O 3.22Å; Y137-F536 WeakPolarHBondContact OH-CE2 3.22Å; Y137-F536 WeakPolarHBondContact OH-CZ 3.45Å |
| 138 | K | 97.6 | Very high | 96.7 | Very high | 27 Ų | 27 | 47.4 Ų | 47.4 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.8 | -51.1 | 175.9 | 179.9 | -172.8 | 71.7 | -173.1 | 0 | 110.7 | L134 E135 T140 R141 Y142 F158 L162 V165 E167 | L134-K138 WeakPolarHBondContact O-CB 3.35Å; L134-K138 PolarHBondContact O-N 2.94Å; E135-K138 WeakPolarHBondContact O-CB 3.15Å; E135-K138 PolarHBondContact O-N 3.09Å; E135-K138 IonicContact OE1-NZ 3.39Å; E135-K138 WeakPolarHBondContact OE2-CE 3.5Å; E135-K138 IonicContact OE2-NZ 2.7Å; E135-K138 PolarHBondContact OE2-NZ 3.28Å; K138-T140 PolarHBondContact O-N 3.18Å; K138-R141 PolarHBondContact O-N 3.25Å; K138-Y142 PolarHBondContact O-N 2.88Å; K138-F158 HydrophobicContact CG-CE2 4.27Å; K138-L162 HydrophobicContact CD-CD2 3.94Å; K138-L162 HydrophobicContact CG-CD2 4.21Å; K138-V165 HydrophobicContact CB-CG2 4.4Å; K138-V165 HydrophobicContact CD-CG2 4.4Å; K138-E167 IonicContact NZ-OE1 3.65Å; K138-E167 PolarHBondContact NZ-OE1 3.12Å |
| 139 | D | 96.8 | Very high | 96.4 | Very high | 88 Ų | 88 | 50.3 Ų | 50.3 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -45.1 | -179.4 | -72.3 | -12.9 | 0 | 0 | 0 | 112.4 | E135 Y137 R141 Y142 Q143 | E135-D139 PolarHBondContact O-N 3.43Å; Y137-D139 PolarHBondContact O-N 3.35Å; D139-R141 VanDerWaalsContact C-N 3.33Å; D139-R141 PolarHBondContact O-N 3.12Å; D139-Y142 WeakPolarHBondContact O-CB 3.46Å; D139-Y142 PolarHBondContact O-N 3Å; D139-Q143 WeakPolarHBondContact O-CG 3.48Å; D139-Q143 PolarHBondContact O-N 3.17Å; D139-Q143 VanDerWaalsContact O-N 3.08Å |
| 140 | T | 97.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 179.7 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | L121 L124 Q128 G136 Y137 K138 Q143 L144 | L121-T140 HydrophobicContact CB-CG2 4.21Å; L121-T140 HydrophobicContact CD2-CG2 3.93Å; L121-T140 WeakPolarHBondContact O-CG2 3.39Å; L124-T140 HydrophobicContact CB-CG2 4.47Å; L124-T140 HydrophobicContact CD2-CG2 4.3Å; L124-T140 HydrophobicContact CG-CG2 4.39Å; Q128-T140 PolarHBondContact OE1-OG1 3.29Å; G136-T140 WeakPolarHBondContact O-CB 3.28Å; G136-T140 PolarHBondContact O-N 3.19Å; G136-T140 PolarHBondContact O-OG1 3.3Å; Y137-T140 PolarHBondContact O-N 3.26Å; K138-T140 PolarHBondContact O-N 3.18Å; T140-Q143 PolarHBondContact O-N 3.02Å; T140-L144 WeakPolarHBondContact O-CG 3.44Å; T140-L144 PolarHBondContact O-N 2.7Å; T140-L144 VanDerWaalsContact O-N 3.07Å |
| 141 | R | 97.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.9 | -33.5 | 175.6 | -74 | -66.6 | -173.9 | -175.6 | -8.8 | 113 | S125 Y137 K138 D139 L144 F145 G157 F158 | S125-R141 PolarHBondContact OG-NH2 2.93Å; Y137-R141 HydrophobicContact CD1-CG 4.3Å; Y137-R141 HydrophobicContact CD2-CG 4.09Å; Y137-R141 HydrophobicContact CE1-CG 3.84Å; Y137-R141 HydrophobicContact CE2-CG 3.64Å; Y137-R141 HydrophobicContact CG-CG 4.41Å; Y137-R141 VanDerWaalsContact CZ-CG 3.48Å; Y137-R141 WeakPolarHBondContact O-CB 3.43Å; Y137-R141 VanDerWaalsContact O-CG 3.31Å; Y137-R141 WeakPolarHBondContact O-CG 3.46Å; Y137-R141 PolarHBondContact O-N 3.17Å; Y137-R141 PolarHBondContact OH-NE 2.99Å; K138-R141 PolarHBondContact O-N 3.25Å; D139-R141 VanDerWaalsContact C-N 3.33Å; D139-R141 PolarHBondContact O-N 3.12Å; R141-L144 PolarHBondContact O-N 2.93Å; R141-F145 WeakPolarHBondContact O-CB 3.42Å; R141-F145 PolarHBondContact O-N 3.45Å; R141-G157 WeakPolarHBondContact CG-O 3.4Å; R141-F158 HydrophobicContact CB-CB 4.28Å |
| 142 | Y | 97.4 | Very high | 95.6 | Very high | 116 Ų | 116 | 60.8 Ų | 60.8 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 170.8 | 177.3 | -113 | 0 | 0 | 0 | 111.7 | K138 D139 L144 F145 I146 F158 | K138-Y142 PolarHBondContact O-N 2.88Å; D139-Y142 WeakPolarHBondContact O-CB 3.46Å; D139-Y142 PolarHBondContact O-N 3Å; Y142-L144 PolarHBondContact O-N 3.34Å; Y142-F145 HydrophobicContact CD2-CD1 4.46Å; Y142-F145 WeakPolarHBondContact O-CB 3.47Å; Y142-F145 PolarHBondContact O-N 3.1Å; Y142-I146 HydrophobicContact CD1-CD1 3.85Å; Y142-I146 HydrophobicContact CD2-CD1 4.41Å; Y142-I146 HydrophobicContact CE1-CD1 3.31Å; Y142-I146 HydrophobicContact CE1-CG1 4.4Å; Y142-I146 HydrophobicContact CE2-CD1 3.95Å; Y142-I146 HydrophobicContact CE2-CG1 4.24Å; Y142-I146 HydrophobicContact CG-CD1 4.38Å; Y142-I146 PolarHBondContact O-N 2.76Å; Y142-F158 AromaticContact CD2-CE1 3.93Å; Y142-F158 HydrophobicContact CD2-CE1 3.93Å; Y142-F158 AromaticContact CD2-CE2 3.94Å; Y142-F158 HydrophobicContact CD2-CE2 3.94Å; Y142-F158 AromaticContact CD2-CZ 3.58Å; Y142-F158 HydrophobicContact CD2-CZ 3.58Å; Y142-F158 HydrophobicContact CE2-CZ 4.4Å; Y142-F158 HydrophobicContact CG-CE2 4.23Å; Y142-F158 HydrophobicContact CG-CZ 4.3Å |
| 143 | Q | 96.4 | Very high | 95.4 | Very high | 85 Ų | 85 | 59.9 Ų | 59.9 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175 | -67.9 | 177.2 | 24.6 | 0 | 0 | 111.9 | L121 D139 T140 F145 I146 L147 | L121-Q143 HydrophobicContact CD1-CB 4.4Å; L121-Q143 VanDerWaalsContact CD2-OE1 3.29Å; D139-Q143 WeakPolarHBondContact O-CG 3.48Å; D139-Q143 PolarHBondContact O-N 3.17Å; D139-Q143 VanDerWaalsContact O-N 3.08Å; T140-Q143 PolarHBondContact O-N 3.02Å; Q143-F145 VanDerWaalsContact C-N 3.29Å; Q143-F145 PolarHBondContact O-N 3.1Å; Q143-I146 PolarHBondContact O-N 3.16Å; Q143-L147 VanDerWaalsContact O-CG 3.31Å; Q143-L147 WeakPolarHBondContact O-CG 3.49Å; Q143-L147 PolarHBondContact O-N 2.97Å |
| 144 | L | 96.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 175.1 | -75.1 | 169.3 | 0 | 0 | 0 | 112.6 | I118 L121 R122 T140 R141 Y142 R148 | I118-L144 HydrophobicContact CG2-CD2 3.89Å; L121-L144 HydrophobicContact CB-CD1 4.29Å; L121-L144 HydrophobicContact CB-CD2 3.71Å; L121-L144 HydrophobicContact CB-CG 3.92Å; L121-L144 HydrophobicContact CD1-CD2 4.23Å; R122-L144 HydrophobicContact CG-CD1 4.02Å; R122-L144 HydrophobicContact CG-CD2 3.97Å; T140-L144 WeakPolarHBondContact O-CG 3.44Å; T140-L144 PolarHBondContact O-N 2.7Å; T140-L144 VanDerWaalsContact O-N 3.07Å; R141-L144 PolarHBondContact O-N 2.93Å; Y142-L144 PolarHBondContact O-N 3.34Å; L144-R148 PolarHBondContact O-N 3.05Å |
| 145 | F | 95.8 | Very high | 95.1 | Very high | 34 Ų | 34 | 57.4 Ų | 57.4 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -47.9 | 174.1 | 171.7 | -102.5 | 0 | 0 | 0 | 112.4 | R141 Y142 Q143 R148 P149 W155 F158 | R141-F145 WeakPolarHBondContact O-CB 3.42Å; R141-F145 PolarHBondContact O-N 3.45Å; Y142-F145 HydrophobicContact CD2-CD1 4.46Å; Y142-F145 WeakPolarHBondContact O-CB 3.47Å; Y142-F145 PolarHBondContact O-N 3.1Å; Q143-F145 VanDerWaalsContact C-N 3.29Å; Q143-F145 PolarHBondContact O-N 3.1Å; F145-R148 CarbonylContact O-C 3.57Å; F145-P149 WeakPolarHBondContact O-CA 3.4Å; F145-P149 WeakPolarHBondContact O-CD 3.31Å; F145-P149 VanDerWaalsContact O-N 3.16Å; F145-W155 HydrophobicContact CD2-CD2 4.32Å; F145-W155 HydrophobicContact CD2-CG 4.4Å; F145-W155 AromaticContact CE2-CD2 3.58Å; F145-W155 HydrophobicContact CE2-CD2 3.58Å; F145-W155 AromaticContact CE2-CE2 3.62Å; F145-W155 AromaticContact CE2-CE3 3.75Å; F145-W155 HydrophobicContact CE2-CE3 3.75Å; F145-W155 HydrophobicContact CE2-CG 4.11Å; F145-W155 HydrophobicContact CE2-CH2 4.04Å; F145-W155 AromaticContact CE2-CZ2 3.86Å; F145-W155 HydrophobicContact CE2-CZ2 3.86Å; F145-W155 AromaticContact CE2-CZ3 3.99Å; F145-W155 HydrophobicContact CE2-CZ3 3.99Å; F145-W155 HydrophobicContact CZ-CE3 4.38Å; F145-W155 HydrophobicContact CZ-CH2 4.11Å; F145-W155 HydrophobicContact CZ-CZ2 4.25Å; F145-W155 HydrophobicContact CZ-CZ3 4.18Å; F145-F158 HydrophobicContact CB-CB 4.23Å; F145-F158 HydrophobicContact CB-CD1 4.49Å; F145-F158 HydrophobicContact CB-CG 4.48Å; F145-F158 HydrophobicContact CD1-CD1 4.23Å; F145-F158 HydrophobicContact CG-CD1 4.21Å |
| 146 | I | 95.8 | Very high | 95 | Very high | 96 Ų | 96 | 53 Ų | 53 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.3 | -65.5 | 163.5 | 0 | 0 | 0 | 111.5 | Y142 Q143 P149 | Y142-I146 HydrophobicContact CD1-CD1 3.85Å; Y142-I146 HydrophobicContact CD2-CD1 4.41Å; Y142-I146 HydrophobicContact CE1-CD1 3.31Å; Y142-I146 HydrophobicContact CE1-CG1 4.4Å; Y142-I146 HydrophobicContact CE2-CD1 3.95Å; Y142-I146 HydrophobicContact CE2-CG1 4.24Å; Y142-I146 HydrophobicContact CG-CD1 4.38Å; Y142-I146 PolarHBondContact O-N 2.76Å; Q143-I146 PolarHBondContact O-N 3.16Å; I146-P149 WeakPolarHBondContact O-CD 3.38Å |
| 147 | L | 95.9 | Very high | 94.9 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.1 | -33 | -176.5 | -70 | 172.5 | 0 | 0 | 0 | 113 | E116 I118 L121 Q143 | E116-L147 HydrophobicContact CB-CD1 4.42Å; E116-L147 HydrophobicContact CB-CD2 4.22Å; E116-L147 HydrophobicContact CG-CD2 4.17Å; I118-L147 HydrophobicContact CG1-CD1 4.29Å; L121-L147 HydrophobicContact CD1-CD1 3.59Å; Q143-L147 VanDerWaalsContact O-CG 3.31Å; Q143-L147 WeakPolarHBondContact O-CG 3.49Å; Q143-L147 PolarHBondContact O-N 2.97Å |
| 148 | R | 94.3 | Very high | 94.9 | Very high | 118 Ų | 118 | 53 Ų | 53 | 45% | 0.445 | 26% | 0.257 | S | S | . | . | trans | -138.1 | 68.1 | -176.5 | -65.6 | -64.1 | -176.6 | -160.9 | -2.4 | 111.9 | I118 L144 F145 T150 Q151 S154 | I118-R148 HydrophobicContact CD1-CG 3.81Å; L144-R148 PolarHBondContact O-N 3.05Å; F145-R148 CarbonylContact O-C 3.57Å; R148-T150 PolarHBondContact O-N 3.47Å; R148-Q151 HydrophobicContact CB-CG 4.23Å; R148-Q151 PolarHBondContact O-N 2.92Å; R148-S154 VanDerWaalsContact O-CB 3.31Å; R148-S154 WeakPolarHBondContact O-CB 3.24Å; R148-S154 PolarHBondContact O-OG 3.35Å | ||
| 149 | P | 92.4 | Very high | 94.9 | Very high | 65 Ų | 65 | 51.8 Ų | 51.8 | 42% | 0.422 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -16 | -178.9 | 29.6 | -35.9 | 0 | 0 | 0 | 112.8 | F145 I146 Q151 W155 | F145-P149 WeakPolarHBondContact O-CA 3.4Å; F145-P149 WeakPolarHBondContact O-CD 3.31Å; F145-P149 VanDerWaalsContact O-N 3.16Å; I146-P149 WeakPolarHBondContact O-CD 3.38Å; P149-Q151 VanDerWaalsContact C-N 3.28Å; P149-Q151 PolarHBondContact O-N 3.05Å; P149-W155 PolarHBondContact O-NE1 3.44Å |
| 150 | T | 90.8 | Very high | 94.9 | Very high | 129 Ų | 129 | 47.7 Ų | 47.7 | 79% | 0.791 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.5 | 177.5 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | R148 | R148-T150 PolarHBondContact O-N 3.47Š|
| 151 | Q | 89.9 | Confident | 94.9 | Very high | 91 Ų | 91 | 47.3 Ų | 47.3 | 43% | 0.425 | 23% | 0.227 | S | C | . | . | trans | -93.9 | 125.6 | -177.5 | -65.4 | -176.3 | 4.8 | 0 | 0 | 111 | R148 P149 V153 S154 | R148-Q151 HydrophobicContact CB-CG 4.23Å; R148-Q151 PolarHBondContact O-N 2.92Å; P149-Q151 VanDerWaalsContact C-N 3.28Å; P149-Q151 PolarHBondContact O-N 3.05Å; Q151-V153 PolarHBondContact O-N 3.16Å; Q151-V153 VanDerWaalsContact O-N 3.15Å; Q151-S154 WeakPolarHBondContact O-CB 3.44Å; Q151-S154 PolarHBondContact O-N 3.32Å; Q151-S154 PolarHBondContact O-OG 2.8Å | ||
| 152 | R | 90.5 | Very high | 95 | Very high | 89 Ų | 89 | 46.9 Ų | 46.9 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -50.8 | -39.7 | 174.9 | 67.3 | -176.7 | -169.1 | 176.3 | 7.2 | 113.9 | S154 W155 I156 F178 E190 R537 | R152-S154 PolarHBondContact O-N 3.43Å; R152-W155 PolarHBondContact O-N 3.06Å; R152-I156 HydrophobicContact CB-CD1 4.27Å; R152-I156 HydrophobicContact CG-CD1 4.45Å; R152-I156 WeakPolarHBondContact O-CD1 3.23Å; R152-I156 WeakPolarHBondContact O-CG1 3.34Å; R152-I156 PolarHBondContact O-N 3.32Å; R152-F178 HydrophobicContact CB-CE2 3.9Å; R152-F178 HydrophobicContact CB-CZ 3.69Å; R152-E190 IonicContact CZ-OE2 3.37Å; R152-E190 IonicContact NH1-OE2 3.49Å; R152-E190 PolarHBondContact NH1-OE2 3.45Å; R152-E190 IonicContact NH2-OE1 2.8Å; R152-E190 IonicContact NH2-OE2 3.01Å; R152-E190 PolarHBondContact NH2-OE2 3.4Å; R152-R537 PolarHBondContact NH2-O 3.17Å |
| 153 | V | 92.4 | Very high | 95 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 26% | 0.255 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.6 | -30.2 | -177.7 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | Q151 G157 F536 | Q151-V153 PolarHBondContact O-N 3.16Å; Q151-V153 VanDerWaalsContact O-N 3.15Å; V153-G157 WeakPolarHBondContact O-CA 3.41Å; V153-G157 PolarHBondContact O-N 3.5Å; V153-F536 HydrophobicContact CG1-CB 4.22Å; V153-F536 HydrophobicContact CG1-CD2 4.06Å |
| 154 | S | 93.9 | Very high | 95 | Very high | 5 Ų | 5 | 39 Ų | 39 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.6 | -43.7 | 178.3 | -45.8 | 0 | 0 | 0 | 0 | 111.4 | R148 Q151 R152 F158 | R148-S154 VanDerWaalsContact O-CB 3.31Å; R148-S154 WeakPolarHBondContact O-CB 3.24Å; R148-S154 PolarHBondContact O-OG 3.35Å; Q151-S154 WeakPolarHBondContact O-CB 3.44Å; Q151-S154 PolarHBondContact O-N 3.32Å; Q151-S154 PolarHBondContact O-OG 2.8Å; R152-S154 PolarHBondContact O-N 3.43Å; S154-F158 WeakPolarHBondContact O-CB 3.15Å; S154-F158 PolarHBondContact O-N 3.05Å; S154-F158 VanDerWaalsContact O-N 3.08Å |
| 155 | W | 95 | Very high | 95.1 | Very high | 40 Ų | 40 | 40 Ų | 40 | 15% | 0.152 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -54.1 | 174.6 | -71.1 | 84.7 | 0 | 0 | 0 | 111.6 | F145 P149 R152 G157 F158 A159 I174 E177 F178 | F145-W155 HydrophobicContact CD2-CD2 4.32Å; F145-W155 HydrophobicContact CD2-CG 4.4Å; F145-W155 AromaticContact CE2-CD2 3.58Å; F145-W155 HydrophobicContact CE2-CD2 3.58Å; F145-W155 AromaticContact CE2-CE2 3.62Å; F145-W155 AromaticContact CE2-CE3 3.75Å; F145-W155 HydrophobicContact CE2-CE3 3.75Å; F145-W155 HydrophobicContact CE2-CG 4.11Å; F145-W155 HydrophobicContact CE2-CH2 4.04Å; F145-W155 AromaticContact CE2-CZ2 3.86Å; F145-W155 HydrophobicContact CE2-CZ2 3.86Å; F145-W155 AromaticContact CE2-CZ3 3.99Å; F145-W155 HydrophobicContact CE2-CZ3 3.99Å; F145-W155 HydrophobicContact CZ-CE3 4.38Å; F145-W155 HydrophobicContact CZ-CH2 4.11Å; F145-W155 HydrophobicContact CZ-CZ2 4.25Å; F145-W155 HydrophobicContact CZ-CZ3 4.18Å; P149-W155 PolarHBondContact O-NE1 3.44Å; R152-W155 PolarHBondContact O-N 3.06Å; W155-G157 VanDerWaalsContact C-N 3.34Å; W155-G157 PolarHBondContact O-N 3.18Å; W155-F158 PolarHBondContact O-N 3.23Å; W155-A159 WeakPolarHBondContact O-CB 3.24Å; W155-A159 PolarHBondContact O-N 2.82Å; W155-I174 HydrophobicContact CE3-CG2 3.84Å; W155-I174 HydrophobicContact CZ3-CG2 4.35Å; W155-E177 HydrophobicContact CH2-CB 4.28Å; W155-E177 HydrophobicContact CZ3-CB 3.91Å; W155-F178 HydrophobicContact CB-CB 4.19Å; W155-F178 HydrophobicContact CB-CD2 3.49Å; W155-F178 VanDerWaalsContact CB-CD2 3.49Å; W155-F178 HydrophobicContact CB-CE2 3.98Å; W155-F178 HydrophobicContact CB-CG 3.82Å; W155-F178 AromaticContact CD1-CD2 3.73Å; W155-F178 HydrophobicContact CD2-CB 3.94Å; W155-F178 AromaticContact CD2-CD2 3.72Å; W155-F178 HydrophobicContact CD2-CD2 3.72Å; W155-F178 HydrophobicContact CD2-CG 4.2Å; W155-F178 HydrophobicContact CE3-CB 3.61Å; W155-F178 HydrophobicContact CE3-CD2 4.3Å; W155-F178 HydrophobicContact CE3-CG 4.35Å; W155-F178 HydrophobicContact CG-CB 4.23Å; W155-F178 AromaticContact CG-CD2 3.35Å; W155-F178 HydrophobicContact CG-CD2 3.35Å; W155-F178 AromaticContact CG-CE2 3.99Å; W155-F178 HydrophobicContact CG-CE2 3.99Å; W155-F178 HydrophobicContact CG-CG 4.01Å; W155-F178 HydrophobicContact CZ3-CB 4.29Å |
| 156 | I | 94.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | -177.8 | -61.8 | 154.9 | 0 | 0 | 0 | 110.8 | R152 F158 A159 L160 F178 F536 M539 L541 | R152-I156 HydrophobicContact CB-CD1 4.27Å; R152-I156 HydrophobicContact CG-CD1 4.45Å; R152-I156 WeakPolarHBondContact O-CD1 3.23Å; R152-I156 WeakPolarHBondContact O-CG1 3.34Å; R152-I156 PolarHBondContact O-N 3.32Å; I156-F158 VanDerWaalsContact C-N 3.33Å; I156-F158 PolarHBondContact O-N 3.12Å; I156-A159 PolarHBondContact O-N 3.01Å; I156-L160 WeakPolarHBondContact O-CB 3.46Å; I156-L160 PolarHBondContact O-N 3.02Å; I156-F178 HydrophobicContact CD1-CE1 4.49Å; I156-F178 HydrophobicContact CD1-CZ 4.47Å; I156-F178 HydrophobicContact CG1-CE1 4.17Å; I156-F178 HydrophobicContact CG1-CZ 4.45Å; I156-F536 HydrophobicContact CG2-CD1 3.92Å; I156-F536 HydrophobicContact CG2-CE1 4.11Å; I156-M539 HydrophobicContact CD1-CE 3.68Å; I156-M539 HydrophobicContact CD1-SD 3.31Å; I156-M539 WeakPolarHBondContact CD1-SD 3.44Å; I156-M539 HydrophobicContact CG1-CE 4.33Å; I156-M539 HydrophobicContact CG1-SD 4.07Å; I156-L541 HydrophobicContact CG2-CD1 3.61Å; I156-L541 HydrophobicContact CG2-CD2 3.57Å; I156-L541 HydrophobicContact CG2-CG 4.24Å |
| 157 | G | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y137 R141 V153 W155 G161 | Y137-G157 PolarHBondContact OH-O 3.22Å; R141-G157 WeakPolarHBondContact CG-O 3.4Å; V153-G157 WeakPolarHBondContact O-CA 3.41Å; V153-G157 PolarHBondContact O-N 3.5Å; W155-G157 VanDerWaalsContact C-N 3.34Å; W155-G157 PolarHBondContact O-N 3.18Å; G157-G161 PolarHBondContact O-N 3.42Å; G157-G161 VanDerWaalsContact O-N 3.14Å |
| 158 | F | 97.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.057 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.2 | -45.6 | 176 | -177.6 | -135.3 | 0 | 0 | 0 | 112.1 | K138 R141 Y142 F145 S154 W155 I156 L160 G161 L162 I174 | K138-F158 HydrophobicContact CG-CE2 4.27Å; R141-F158 HydrophobicContact CB-CB 4.28Å; Y142-F158 AromaticContact CD2-CE1 3.93Å; Y142-F158 HydrophobicContact CD2-CE1 3.93Å; Y142-F158 AromaticContact CD2-CE2 3.94Å; Y142-F158 HydrophobicContact CD2-CE2 3.94Å; Y142-F158 AromaticContact CD2-CZ 3.58Å; Y142-F158 HydrophobicContact CD2-CZ 3.58Å; Y142-F158 HydrophobicContact CE2-CZ 4.4Å; Y142-F158 HydrophobicContact CG-CE2 4.23Å; Y142-F158 HydrophobicContact CG-CZ 4.3Å; F145-F158 HydrophobicContact CB-CB 4.23Å; F145-F158 HydrophobicContact CB-CD1 4.49Å; F145-F158 HydrophobicContact CB-CG 4.48Å; F145-F158 HydrophobicContact CD1-CD1 4.23Å; F145-F158 HydrophobicContact CG-CD1 4.21Å; S154-F158 WeakPolarHBondContact O-CB 3.15Å; S154-F158 PolarHBondContact O-N 3.05Å; S154-F158 VanDerWaalsContact O-N 3.08Å; W155-F158 PolarHBondContact O-N 3.23Å; I156-F158 VanDerWaalsContact C-N 3.33Å; I156-F158 PolarHBondContact O-N 3.12Å; F158-L160 VanDerWaalsContact C-N 3.28Å; F158-L160 PolarHBondContact O-N 3.21Å; F158-G161 PolarHBondContact O-N 2.93Å; F158-L162 HydrophobicContact CD1-CD1 4.2Å; F158-L162 HydrophobicContact CD2-CD1 4.35Å; F158-L162 HydrophobicContact CD2-CG 4.29Å; F158-L162 HydrophobicContact CE1-CD1 3.84Å; F158-L162 HydrophobicContact CE2-CD1 3.99Å; F158-L162 HydrophobicContact CE2-CD2 4.07Å; F158-L162 HydrophobicContact CE2-CG 3.91Å; F158-L162 HydrophobicContact CG-CD1 4.43Å; F158-L162 HydrophobicContact CZ-CD1 3.73Å; F158-L162 HydrophobicContact CZ-CD2 4.16Å; F158-L162 HydrophobicContact CZ-CG 4.1Å; F158-L162 WeakPolarHBondContact O-CG 3.05Å; F158-L162 PolarHBondContact O-N 2.94Å; F158-I174 HydrophobicContact CD1-CD1 4.26Å; F158-I174 HydrophobicContact CD1-CG1 4.22Å; F158-I174 HydrophobicContact CD1-CG2 4.36Å; F158-I174 HydrophobicContact CE1-CD1 4.02Å; F158-I174 HydrophobicContact CE1-CG1 4.07Å |
| 159 | A | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.5 | -38.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W155 I156 H163 I174 L175 | W155-A159 WeakPolarHBondContact O-CB 3.24Å; W155-A159 PolarHBondContact O-N 2.82Å; I156-A159 PolarHBondContact O-N 3.01Å; A159-H163 VanDerWaalsContact O-CB 3.29Å; A159-H163 WeakPolarHBondContact O-CB 3.22Å; A159-H163 PolarHBondContact O-N 3.12Å; A159-I174 HydrophobicContact CB-CG2 4.07Å; A159-L175 HydrophobicContact CB-CD2 3.64Å; A159-L175 HydrophobicContact CB-CG 3.83Å |
| 160 | L | 97.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 172.8 | -178.4 | 70.1 | 0 | 0 | 0 | 111.7 | L129 I156 F158 L162 H163 L164 Y197 F536 Y544 V545 | L129-L160 HydrophobicContact CD2-CD2 4.31Å; I156-L160 WeakPolarHBondContact O-CB 3.46Å; I156-L160 PolarHBondContact O-N 3.02Å; F158-L160 VanDerWaalsContact C-N 3.28Å; F158-L160 PolarHBondContact O-N 3.21Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 3.4Å; L160-H163 PolarHBondContact O-N 2.89Å; L160-L164 HydrophobicContact CD1-CD1 4.08Å; L160-L164 HydrophobicContact CD1-CD2 4.31Å; L160-L164 HydrophobicContact CD1-CG 3.92Å; L160-L164 HydrophobicContact CD2-CD1 4.11Å; L160-L164 HydrophobicContact CG-CD1 3.8Å; L160-L164 HydrophobicContact CG-CG 4.04Å; L160-L164 WeakPolarHBondContact O-CB 3.38Å; L160-L164 WeakPolarHBondContact O-CG 3Å; L160-L164 PolarHBondContact O-N 3.37Å; L160-Y197 WeakPolarHBondContact CA-OH 3.47Å; L160-F536 HydrophobicContact CB-CZ 4.44Å; L160-F536 HydrophobicContact CD2-CE1 3.74Å; L160-F536 HydrophobicContact CD2-CZ 3.53Å; L160-Y544 HydrophobicContact CD2-CD1 4.01Å; L160-Y544 HydrophobicContact CD2-CE1 3.47Å; L160-Y544 VanDerWaalsContact CD2-CE1 3.47Å; L160-V545 HydrophobicContact CD1-CG2 3.71Å |
| 161 | G | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59 | -45.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | G157 F158 L164 V165 | G157-G161 PolarHBondContact O-N 3.42Å; G157-G161 VanDerWaalsContact O-N 3.14Å; F158-G161 PolarHBondContact O-N 2.93Å; G161-L164 PolarHBondContact O-N 3.29Å; G161-V165 WeakPolarHBondContact O-CG2 3.39Å; G161-V165 PolarHBondContact O-N 3.06Å; G161-V165 VanDerWaalsContact O-N 3.14Å |
| 162 | L | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 174.3 | -66.1 | 167.5 | 0 | 0 | 0 | 112.2 | K138 F158 L160 V165 E166 E167 L170 A171 I174 | K138-L162 HydrophobicContact CD-CD2 3.94Å; K138-L162 HydrophobicContact CG-CD2 4.21Å; F158-L162 HydrophobicContact CD1-CD1 4.2Å; F158-L162 HydrophobicContact CD2-CD1 4.35Å; F158-L162 HydrophobicContact CD2-CG 4.29Å; F158-L162 HydrophobicContact CE1-CD1 3.84Å; F158-L162 HydrophobicContact CE2-CD1 3.99Å; F158-L162 HydrophobicContact CE2-CD2 4.07Å; F158-L162 HydrophobicContact CE2-CG 3.91Å; F158-L162 HydrophobicContact CG-CD1 4.43Å; F158-L162 HydrophobicContact CZ-CD1 3.73Å; F158-L162 HydrophobicContact CZ-CD2 4.16Å; F158-L162 HydrophobicContact CZ-CG 4.1Å; F158-L162 WeakPolarHBondContact O-CG 3.05Å; F158-L162 PolarHBondContact O-N 2.94Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 3.4Å; L162-V165 PolarHBondContact O-N 3Å; L162-E166 PolarHBondContact O-N 3.32Å; L162-E166 VanDerWaalsContact O-N 3.16Å; L162-E167 HydrophobicContact CB-CB 4.39Å; L162-E167 HydrophobicContact CD2-CB 4.06Å; L162-E167 WeakPolarHBondContact CD2-OE2 3.46Å; L162-E167 PolarHBondContact O-N 3.26Å; L162-L170 HydrophobicContact CD1-CB 4.1Å; L162-L170 HydrophobicContact CD1-CD2 4.08Å; L162-L170 HydrophobicContact CD1-CG 3.7Å; L162-L170 HydrophobicContact CD2-CB 4.27Å; L162-L170 HydrophobicContact CD2-CD2 3.72Å; L162-L170 HydrophobicContact CD2-CG 4.13Å; L162-A171 HydrophobicContact CB-CB 3.74Å; L162-I174 HydrophobicContact CD1-CG1 4.08Å |
| 163 | H | 98.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 177.8 | 175.6 | -160.7 | 0 | 0 | 0 | 112.3 | A159 L160 V165 E166 Y168 A171 Y197 V201 E204 | A159-H163 VanDerWaalsContact O-CB 3.29Å; A159-H163 WeakPolarHBondContact O-CB 3.22Å; A159-H163 PolarHBondContact O-N 3.12Å; L160-H163 PolarHBondContact O-N 2.89Å; H163-V165 VanDerWaalsContact C-N 3.31Å; H163-V165 PolarHBondContact O-N 3.33Å; H163-E166 PolarHBondContact O-N 2.94Å; H163-Y168 AromaticContact CD2-CE1 3.9Å; H163-A171 HydrophobicContact CB-CB 4.44Å; H163-Y197 AromaticContact CE1-CE2 3.83Å; H163-Y197 AromaticContact ND1-CE2 3.46Å; H163-Y197 WeakPolarHBondContact ND1-CE2 3.45Å; H163-Y197 AromaticContact ND1-CZ 3.52Å; H163-Y197 PolarHBondContact ND1-OH 3.28Å; H163-V201 HydrophobicContact CB-CG2 4.43Å; H163-E204 IonicContact CD2-OE2 3.96Å; H163-E204 IonicContact CE1-OE2 3.22Å; H163-E204 IonicContact NE2-OE2 3.45Å; H163-E204 PolarHBondContact NE2-OE2 2.92Å |
| 164 | L | 96.9 | Very high | 96.9 | Very high | 32 Ų | 32 | 30.6 Ų | 30.6 | 17% | 0.168 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.4 | -26.9 | -178.9 | -67.4 | 176.7 | 0 | 0 | 0 | 113.3 | L129 L134 L160 G161 L548 | L129-L164 HydrophobicContact CD1-CD1 3.58Å; L134-L164 HydrophobicContact CD1-CB 4.25Å; L134-L164 WeakPolarHBondContact CD1-O 3.29Å; L134-L164 HydrophobicContact CD2-CB 4.17Å; L134-L164 HydrophobicContact CD2-CD1 4.15Å; L160-L164 HydrophobicContact CD1-CD1 4.08Å; L160-L164 HydrophobicContact CD1-CD2 4.31Å; L160-L164 HydrophobicContact CD1-CG 3.92Å; L160-L164 HydrophobicContact CD2-CD1 4.11Å; L160-L164 HydrophobicContact CG-CD1 3.8Å; L160-L164 HydrophobicContact CG-CG 4.04Å; L160-L164 WeakPolarHBondContact O-CB 3.38Å; L160-L164 WeakPolarHBondContact O-CG 3Å; L160-L164 PolarHBondContact O-N 3.37Å; G161-L164 PolarHBondContact O-N 3.29Å; L164-L548 HydrophobicContact CD1-CD1 4.1Å; L164-L548 HydrophobicContact CD2-CD1 4.49Å |
| 165 | V | 97.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 30.4 Ų | 30.4 | 18% | 0.176 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -1.1 | 172.6 | 176 | 0 | 0 | 0 | 0 | 111.7 | L134 E135 K138 G161 L162 H163 E167 | L134-V165 HydrophobicContact CB-CG2 3.78Å; E135-V165 VanDerWaalsContact OE1-CG1 3.24Å; E135-V165 WeakPolarHBondContact OE1-CG1 3.48Å; K138-V165 HydrophobicContact CB-CG2 4.4Å; K138-V165 HydrophobicContact CD-CG2 4.4Å; G161-V165 WeakPolarHBondContact O-CG2 3.39Å; G161-V165 PolarHBondContact O-N 3.06Å; G161-V165 VanDerWaalsContact O-N 3.14Å; L162-V165 PolarHBondContact O-N 3Å; H163-V165 VanDerWaalsContact C-N 3.31Å; H163-V165 PolarHBondContact O-N 3.33Å; V165-E167 VanDerWaalsContact C-N 3.29Å; V165-E167 HydrophobicContact CG1-CG 4.28Å; V165-E167 PolarHBondContact O-N 2.91Å |
| 166 | E | 97.1 | Very high | 97.1 | Very high | 135 Ų | 135 | 30.4 Ų | 30.4 | 63% | 0.631 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 22.3 | -179.2 | -48.7 | -175.1 | 172.7 | 0 | 0 | 114.1 | L162 H163 Y168 | L162-E166 PolarHBondContact O-N 3.32Å; L162-E166 VanDerWaalsContact O-N 3.16Å; H163-E166 PolarHBondContact O-N 2.94Å; E166-Y168 HydrophobicContact CB-CD2 4.46Å; E166-Y168 HydrophobicContact CB-CE2 3.68Å; E166-Y168 HydrophobicContact CG-CE2 4.4Å; E166-Y168 WeakPolarHBondContact O-CD2 3.41Å; E166-Y168 WeakPolarHBondContact O-CE2 3.45Å; E166-Y168 PolarHBondContact O-N 3.31Å |
| 167 | E | 97.5 | Very high | 97.1 | Very high | 74 Ų | 74 | 34.8 Ų | 34.8 | 35% | 0.346 | 18% | 0.176 | S | C | . | . | trans | -83.6 | 64 | 170.2 | -72.9 | -176.3 | -144.2 | 0 | 0 | 111.1 | K138 L162 V165 D169 L170 A171 | K138-E167 IonicContact NZ-OE1 3.65Å; K138-E167 PolarHBondContact NZ-OE1 3.12Å; L162-E167 HydrophobicContact CB-CB 4.39Å; L162-E167 HydrophobicContact CD2-CB 4.06Å; L162-E167 WeakPolarHBondContact CD2-OE2 3.46Å; L162-E167 PolarHBondContact O-N 3.26Å; V165-E167 VanDerWaalsContact C-N 3.29Å; V165-E167 HydrophobicContact CG1-CG 4.28Å; V165-E167 PolarHBondContact O-N 2.91Å; E167-D169 PolarHBondContact O-N 3.05Å; E167-L170 PolarHBondContact O-N 3.46Å; E167-A171 PolarHBondContact O-N 2.92Å | ||
| 168 | Y | 98.3 | Very high | 97 | Very high | 46 Ų | 46 | 35 Ų | 35 | 18% | 0.18 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -38 | -168.6 | -58.7 | -71.5 | 0 | 0 | 0 | 114.6 | H163 E166 L170 A171 L172 V201 E204 A205 | H163-Y168 AromaticContact CD2-CE1 3.9Å; E166-Y168 HydrophobicContact CB-CD2 4.46Å; E166-Y168 HydrophobicContact CB-CE2 3.68Å; E166-Y168 HydrophobicContact CG-CE2 4.4Å; E166-Y168 WeakPolarHBondContact O-CD2 3.41Å; E166-Y168 WeakPolarHBondContact O-CE2 3.45Å; E166-Y168 PolarHBondContact O-N 3.31Å; Y168-L170 PolarHBondContact O-N 2.95Å; Y168-A171 PolarHBondContact O-N 3.46Å; Y168-L172 WeakPolarHBondContact O-CB 3.46Å; Y168-L172 VanDerWaalsContact O-CG 3.29Å; Y168-L172 WeakPolarHBondContact O-CG 3.46Å; Y168-L172 PolarHBondContact O-N 3.34Å; Y168-V201 HydrophobicContact CD1-CG1 4.09Å; Y168-E204 HydrophobicContact CD1-CB 4.42Å; Y168-E204 HydrophobicContact CE1-CB 3.68Å; Y168-A205 HydrophobicContact CD1-CB 4.21Å; Y168-A205 HydrophobicContact CD2-CB 4.24Å; Y168-A205 HydrophobicContact CG-CB 3.74Å |
| 169 | D | 97.5 | Very high | 96.8 | Very high | 101 Ų | 101 | 35.6 Ų | 35.6 | 54% | 0.54 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.3 | -44.3 | -176.6 | -68.1 | -19.1 | 0 | 0 | 0 | 112.2 | E167 S173 R207 | E167-D169 PolarHBondContact O-N 3.05Å; D169-S173 PolarHBondContact O-N 3.35Å; D169-S173 VanDerWaalsContact O-N 3.09Å; D169-S173 PolarHBondContact O-OG 2.65Å; D169-R207 VanDerWaalsContact CG-NH2 3.34Å; D169-R207 IonicContact OD1-CZ 2.73Å; D169-R207 VanDerWaalsContact OD1-CZ 3.23Å; D169-R207 IonicContact OD1-NE 2.86Å; D169-R207 IonicContact OD1-NH2 3.79Å; D169-R207 PolarHBondContact OD1-NH2 2.83Å; D169-R207 IonicContact OD2-NH2 2.71Å |
| 170 | L | 96.8 | Very high | 96.6 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 40% | 0.403 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -72.4 | -39.3 | 177.2 | -168.9 | 57.6 | 0 | 0 | 0 | 110.3 | L162 E167 Y168 L172 S173 I174 | L162-L170 HydrophobicContact CD1-CB 4.1Å; L162-L170 HydrophobicContact CD1-CD2 4.08Å; L162-L170 HydrophobicContact CD1-CG 3.7Å; L162-L170 HydrophobicContact CD2-CB 4.27Å; L162-L170 HydrophobicContact CD2-CD2 3.72Å; L162-L170 HydrophobicContact CD2-CG 4.13Å; E167-L170 PolarHBondContact O-N 3.46Å; Y168-L170 PolarHBondContact O-N 2.95Å; L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 3.26Å; L170-S173 PolarHBondContact O-N 3.22Å; L170-S173 PolarHBondContact O-OG 3.07Å; L170-I174 HydrophobicContact CD1-CG1 4.47Å; L170-I174 VanDerWaalsContact O-CG1 3.28Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3.33Å |
| 171 | A | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.6 | -47.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L162 H163 E167 Y168 I174 L175 V201 | L162-A171 HydrophobicContact CB-CB 3.74Å; H163-A171 HydrophobicContact CB-CB 4.44Å; E167-A171 PolarHBondContact O-N 2.92Å; Y168-A171 PolarHBondContact O-N 3.46Å; A171-I174 PolarHBondContact O-N 3.26Å; A171-L175 WeakPolarHBondContact O-CB 3.44Å; A171-L175 WeakPolarHBondContact O-CG 3.32Å; A171-L175 PolarHBondContact O-N 3.3Å; A171-V201 HydrophobicContact CB-CG1 4.07Å |
| 172 | L | 98 | Very high | 95.3 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -40.6 | 179.7 | -73.3 | 169.9 | 0 | 0 | 0 | 112.6 | Y168 L170 L175 E176 Q198 V201 Y202 A205 | Y168-L172 WeakPolarHBondContact O-CB 3.46Å; Y168-L172 VanDerWaalsContact O-CG 3.29Å; Y168-L172 WeakPolarHBondContact O-CG 3.46Å; Y168-L172 PolarHBondContact O-N 3.34Å; L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 3.26Å; L172-L175 PolarHBondContact O-N 2.91Å; L172-E176 VanDerWaalsContact O-CB 3.28Å; L172-E176 WeakPolarHBondContact O-CB 3.12Å; L172-E176 PolarHBondContact O-N 3.19Å; L172-Q198 HydrophobicContact CD2-CG 4.42Å; L172-V201 HydrophobicContact CD2-CB 3.88Å; L172-V201 HydrophobicContact CD2-CG1 3.74Å; L172-V201 HydrophobicContact CG-CB 4.47Å; L172-V201 HydrophobicContact CG-CG1 3.78Å; L172-Y202 HydrophobicContact CD1-CD1 3.59Å; L172-Y202 HydrophobicContact CD1-CE1 3.74Å; L172-Y202 HydrophobicContact CD1-CG 4.24Å; L172-Y202 HydrophobicContact CD2-CD1 3.77Å; L172-Y202 HydrophobicContact CD2-CD2 3.68Å; L172-Y202 HydrophobicContact CD2-CE1 3.84Å; L172-Y202 HydrophobicContact CD2-CE2 3.75Å; L172-Y202 HydrophobicContact CD2-CG 3.68Å; L172-Y202 HydrophobicContact CG-CD1 4.32Å; L172-Y202 HydrophobicContact CG-CE1 4.29Å; L172-A205 HydrophobicContact CD1-CB 4.32Å |
| 173 | S | 97.2 | Very high | 94 | Very high | 55 Ų | 55 | 54 Ų | 54 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 177.3 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | D169 L170 L175 E176 E177 | D169-S173 PolarHBondContact O-N 3.35Å; D169-S173 VanDerWaalsContact O-N 3.09Å; D169-S173 PolarHBondContact O-OG 2.65Å; L170-S173 PolarHBondContact O-N 3.22Å; L170-S173 PolarHBondContact O-OG 3.07Å; S173-L175 PolarHBondContact O-N 3.26Å; S173-E176 PolarHBondContact O-N 3.16Å; S173-E177 WeakPolarHBondContact O-CG 3.43Å; S173-E177 PolarHBondContact O-N 3.23Å |
| 174 | I | 96.7 | Very high | 92.5 | Very high | 22 Ų | 22 | 58 Ų | 58 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.4 | -65 | -64.9 | 0 | 0 | 0 | 111.2 | W155 F158 A159 L162 L170 A171 F178 | W155-I174 HydrophobicContact CE3-CG2 3.84Å; W155-I174 HydrophobicContact CZ3-CG2 4.35Å; F158-I174 HydrophobicContact CD1-CD1 4.26Å; F158-I174 HydrophobicContact CD1-CG1 4.22Å; F158-I174 HydrophobicContact CD1-CG2 4.36Å; F158-I174 HydrophobicContact CE1-CD1 4.02Å; F158-I174 HydrophobicContact CE1-CG1 4.07Å; A159-I174 HydrophobicContact CB-CG2 4.07Å; L162-I174 HydrophobicContact CD1-CG1 4.08Å; L170-I174 HydrophobicContact CD1-CG1 4.47Å; L170-I174 VanDerWaalsContact O-CG1 3.28Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3.33Å; A171-I174 PolarHBondContact O-N 3.26Å; I174-F178 VanDerWaalsContact O-CB 3.29Å; I174-F178 WeakPolarHBondContact O-CB 3.38Å; I174-F178 PolarHBondContact O-N 3.46Å |
| 175 | L | 96.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 176.8 | -70.9 | 169.5 | 0 | 0 | 0 | 111.8 | A159 A171 L172 S173 F178 R179 F194 Y197 Q198 V201 | A159-L175 HydrophobicContact CB-CD2 3.64Å; A159-L175 HydrophobicContact CB-CG 3.83Å; A171-L175 WeakPolarHBondContact O-CB 3.44Å; A171-L175 WeakPolarHBondContact O-CG 3.32Å; A171-L175 PolarHBondContact O-N 3.3Å; L172-L175 PolarHBondContact O-N 2.91Å; S173-L175 PolarHBondContact O-N 3.26Å; L175-F178 PolarHBondContact O-N 2.88Å; L175-R179 WeakPolarHBondContact O-CB 3.48Å; L175-R179 PolarHBondContact O-N 2.82Å; L175-F194 HydrophobicContact CB-CZ 4.32Å; L175-F194 HydrophobicContact CD2-CE2 3.54Å; L175-F194 HydrophobicContact CD2-CZ 3.99Å; L175-Y197 HydrophobicContact CD1-CD1 4.26Å; L175-Y197 HydrophobicContact CD1-CE1 3.9Å; L175-Y197 HydrophobicContact CD2-CD1 4.11Å; L175-Y197 HydrophobicContact CD2-CE1 3.87Å; L175-Q198 HydrophobicContact CB-CG 4.09Å; L175-Q198 HydrophobicContact CD1-CB 4.49Å; L175-Q198 HydrophobicContact CD1-CG 4.33Å; L175-V201 HydrophobicContact CD1-CB 4.33Å; L175-V201 HydrophobicContact CD1-CG2 3.89Å |
| 176 | E | 95.8 | Very high | 88.9 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 179.6 | -179.1 | 55.4 | -159.6 | 0 | 0 | 111.9 | L172 S173 R179 K180 Q198 | L172-E176 VanDerWaalsContact O-CB 3.28Å; L172-E176 WeakPolarHBondContact O-CB 3.12Å; L172-E176 PolarHBondContact O-N 3.19Å; S173-E176 PolarHBondContact O-N 3.16Å; E176-R179 WeakPolarHBondContact O-CB 3.28Å; E176-R179 PolarHBondContact O-N 3.27Å; E176-R179 IonicContact OE1-CZ 2.7Å; E176-R179 IonicContact OE1-NE 3.12Å; E176-R179 IonicContact OE1-NH2 3.66Å; E176-R179 PolarHBondContact OE1-NH2 3.48Å; E176-R179 IonicContact OE2-CZ 2.76Å; E176-R179 IonicContact OE2-NE 2.9Å; E176-R179 PolarHBondContact OE2-NE 2.99Å; E176-R179 IonicContact OE2-NH2 3.65Å; E176-R179 PolarHBondContact OE2-NH2 3.38Å; E176-K180 WeakPolarHBondContact O-CG 3.45Å; E176-K180 PolarHBondContact O-N 3.28Å; E176-K180 VanDerWaalsContact O-N 3.12Å; E176-Q198 PolarHBondContact OE2-NE2 3.34Å |
| 177 | E | 94.8 | Very high | 87.2 | Confident | 94 Ų | 94 | 72.1 Ų | 72.1 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 173 | -70.9 | -53.2 | 133.3 | 0 | 0 | 111.4 | W155 S173 R179 K180 T181 | W155-E177 HydrophobicContact CH2-CB 4.28Å; W155-E177 HydrophobicContact CZ3-CB 3.91Å; S173-E177 WeakPolarHBondContact O-CG 3.43Å; S173-E177 PolarHBondContact O-N 3.23Å; E177-R179 VanDerWaalsContact C-N 3.32Å; E177-R179 PolarHBondContact O-N 2.99Å; E177-K180 PolarHBondContact O-N 3.42Å; E177-K180 IonicContact OE1-NZ 3.21Å; E177-K180 PolarHBondContact OE1-NZ 3.21Å; E177-K180 IonicContact OE2-NZ 3.05Å; E177-T181 PolarHBondContact O-N 3.27Å |
| 178 | F | 93.8 | Very high | 86.5 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 175.3 | 179.9 | -114.5 | 0 | 0 | 0 | 112 | R152 W155 I156 I174 L175 K180 T181 Q182 F194 M539 | R152-F178 HydrophobicContact CB-CE2 3.9Å; R152-F178 HydrophobicContact CB-CZ 3.69Å; W155-F178 HydrophobicContact CB-CB 4.19Å; W155-F178 HydrophobicContact CB-CD2 3.49Å; W155-F178 VanDerWaalsContact CB-CD2 3.49Å; W155-F178 HydrophobicContact CB-CE2 3.98Å; W155-F178 HydrophobicContact CB-CG 3.82Å; W155-F178 AromaticContact CD1-CD2 3.73Å; W155-F178 HydrophobicContact CD2-CB 3.94Å; W155-F178 AromaticContact CD2-CD2 3.72Å; W155-F178 HydrophobicContact CD2-CD2 3.72Å; W155-F178 HydrophobicContact CD2-CG 4.2Å; W155-F178 HydrophobicContact CE3-CB 3.61Å; W155-F178 HydrophobicContact CE3-CD2 4.3Å; W155-F178 HydrophobicContact CE3-CG 4.35Å; W155-F178 HydrophobicContact CG-CB 4.23Å; W155-F178 AromaticContact CG-CD2 3.35Å; W155-F178 HydrophobicContact CG-CD2 3.35Å; W155-F178 AromaticContact CG-CE2 3.99Å; W155-F178 HydrophobicContact CG-CE2 3.99Å; W155-F178 HydrophobicContact CG-CG 4.01Å; W155-F178 HydrophobicContact CZ3-CB 4.29Å; I156-F178 HydrophobicContact CD1-CE1 4.49Å; I156-F178 HydrophobicContact CD1-CZ 4.47Å; I156-F178 HydrophobicContact CG1-CE1 4.17Å; I156-F178 HydrophobicContact CG1-CZ 4.45Å; I174-F178 VanDerWaalsContact O-CB 3.29Å; I174-F178 WeakPolarHBondContact O-CB 3.38Å; I174-F178 PolarHBondContact O-N 3.46Å; L175-F178 PolarHBondContact O-N 2.88Å; F178-K180 VanDerWaalsContact C-N 3.33Å; F178-K180 PolarHBondContact O-N 3.47Å; F178-T181 PolarHBondContact O-N 2.89Å; F178-T181 VanDerWaalsContact O-N 3.09Å; F178-T181 PolarHBondContact O-OG1 3.24Å; F178-Q182 HydrophobicContact CE1-CG 4.31Å; F178-Q182 HydrophobicContact CZ-CG 4.35Å; F178-Q182 PolarHBondContact O-N 3.39Å; F178-F194 HydrophobicContact CD1-CD2 4.22Å; F178-F194 AromaticContact CD1-CE2 3.47Å; F178-F194 HydrophobicContact CD1-CE2 3.47Å; F178-F194 VanDerWaalsContact CD1-CE2 3.47Å; F178-F194 AromaticContact CD1-CZ 3.66Å; F178-F194 HydrophobicContact CD1-CZ 3.66Å; F178-F194 HydrophobicContact CE1-CD2 4.14Å; F178-F194 AromaticContact CE1-CE2 3.85Å; F178-F194 HydrophobicContact CE1-CE2 3.85Å; F178-F194 HydrophobicContact CE1-CZ 4.32Å; F178-M539 HydrophobicContact CE1-CE 3.9Å; F178-M539 HydrophobicContact CZ-CE 4.32Å |
| 179 | R | 92.3 | Very high | 86.2 | Confident | 25 Ų | 25 | 73.9 Ų | 73.9 | 9% | 0.094 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 177.8 | -169 | -176.9 | 68.2 | 75.1 | 5.3 | 111.6 | L175 E176 E177 T181 Q182 F194 F218 | L175-R179 WeakPolarHBondContact O-CB 3.48Å; L175-R179 PolarHBondContact O-N 2.82Å; E176-R179 WeakPolarHBondContact O-CB 3.28Å; E176-R179 PolarHBondContact O-N 3.27Å; E176-R179 IonicContact OE1-CZ 2.7Å; E176-R179 IonicContact OE1-NE 3.12Å; E176-R179 IonicContact OE1-NH2 3.66Å; E176-R179 PolarHBondContact OE1-NH2 3.48Å; E176-R179 IonicContact OE2-CZ 2.76Å; E176-R179 IonicContact OE2-NE 2.9Å; E176-R179 PolarHBondContact OE2-NE 2.99Å; E176-R179 IonicContact OE2-NH2 3.65Å; E176-R179 PolarHBondContact OE2-NH2 3.38Å; E177-R179 VanDerWaalsContact C-N 3.32Å; E177-R179 PolarHBondContact O-N 2.99Å; R179-T181 PolarHBondContact O-N 2.91Å; R179-Q182 WeakPolarHBondContact O-CB 3.42Å; R179-Q182 PolarHBondContact O-N 3.49Å; R179-F194 HydrophobicContact CB-CE1 3.76Å; R179-F194 HydrophobicContact CB-CZ 4.21Å; R179-F194 HydrophobicContact CG-CE1 3.88Å; R179-F218 VanDerWaalsContact NH1-CE1 3.28Å |
| 180 | K | 91.9 | Very high | 85.9 | Confident | 122 Ų | 122 | 71.4 Ų | 71.4 | 53% | 0.53 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -26.4 | 178 | -68 | 169.7 | -171.1 | 169.1 | 0 | 113 | E176 E177 F178 | E176-K180 WeakPolarHBondContact O-CG 3.45Å; E176-K180 PolarHBondContact O-N 3.28Å; E176-K180 VanDerWaalsContact O-N 3.12Å; E177-K180 PolarHBondContact O-N 3.42Å; E177-K180 IonicContact OE1-NZ 3.21Å; E177-K180 PolarHBondContact OE1-NZ 3.21Å; E177-K180 IonicContact OE2-NZ 3.05Å; F178-K180 VanDerWaalsContact C-N 3.33Å; F178-K180 PolarHBondContact O-N 3.47Å |
| 181 | T | 87.8 | Confident | 85.7 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -80.8 | -15.6 | 176.4 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | E177 F178 R179 | E177-T181 PolarHBondContact O-N 3.27Å; F178-T181 PolarHBondContact O-N 2.89Å; F178-T181 VanDerWaalsContact O-N 3.09Å; F178-T181 PolarHBondContact O-OG1 3.24Å; R179-T181 PolarHBondContact O-N 2.91Å |
| 182 | Q | 81.2 | Confident | 85.5 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -78.5 | 143.7 | 179.5 | -61.9 | -57.7 | -48 | 0 | 0 | 110.8 | F178 R179 | F178-Q182 HydrophobicContact CE1-CG 4.31Å; F178-Q182 HydrophobicContact CZ-CG 4.35Å; F178-Q182 PolarHBondContact O-N 3.39Å; R179-Q182 WeakPolarHBondContact O-CB 3.42Å; R179-Q182 PolarHBondContact O-N 3.49Å |
| 183 | T | 71.2 | Confident | 85.3 | Confident | 117 Ų | 117 | 69 Ų | 69 | 72% | 0.718 | 34% | 0.342 | S | S | * | . | trans | -96.4 | 119.6 | 172.9 | 45.1 | 0 | 0 | 0 | 0 | 109.2 | K185 | T183-K185 PolarHBondContact O-N 2.85Å; T183-K185 VanDerWaalsContact O-N 3.15Å | ||
| 184 | N | 65.5 | Low | 85.2 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 47% | 0.465 | 32% | 0.324 | S | S | . | . | trans | -71.5 | 111.1 | -174.4 | -62.4 | 13.1 | 0 | 0 | 0 | 109.9 | E221 | N184-E221 VanDerWaalsContact CG-OE2 3.3Å; N184-E221 PolarHBondContact ND2-OE1 3.07Å; N184-E221 PolarHBondContact ND2-OE2 3.06Å | ||
| 185 | K | 62.9 | Low | 85.2 | Confident | 151 Ų | 151 | 65.4 Ų | 65.4 | 66% | 0.657 | 32% | 0.319 | S | S | * | . | trans | -94.6 | 134 | 162.8 | -68.4 | -179.8 | -177.4 | 175.4 | 0 | 108.1 | T183 Y187 D188 | T183-K185 PolarHBondContact O-N 2.85Å; T183-K185 VanDerWaalsContact O-N 3.15Å; K185-Y187 PolarHBondContact O-N 3.33Å; K185-D188 HydrophobicContact CB-CB 4.44Å; K185-D188 PolarHBondContact O-N 3.24Å | ||
| 186 | T | 55.4 | Low | 85.2 | Confident | 131 Ų | 131 | 65.8 Ų | 65.8 | 80% | 0.804 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 127.3 | 173.1 | 43.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 187 | Y | 61.2 | Low | 85.3 | Confident | 210 Ų | 210 | 64 Ų | 64 | 82% | 0.824 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 39.7 | -177.2 | -54.2 | -83.7 | 0 | 0 | 0 | 116.7 | K185 F189 | K185-Y187 PolarHBondContact O-N 3.33Å; Y187-F189 PolarHBondContact O-N 3.35Å |
| 188 | D | 84.3 | Confident | 85.4 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | trans | -83.9 | 110.4 | 169.1 | -170.7 | -9.2 | 0 | 0 | 0 | 111.7 | K185 E190 H191 S192 | K185-D188 HydrophobicContact CB-CB 4.44Å; K185-D188 PolarHBondContact O-N 3.24Å; D188-E190 VanDerWaalsContact C-N 3.31Å; D188-E190 PolarHBondContact O-N 2.98Å; D188-E190 PolarHBondContact OD1-N 3.34Å; D188-H191 HydrophobicContact CB-CB 3.76Å; D188-H191 PolarHBondContact O-N 2.86Å; D188-S192 PolarHBondContact O-N 3.46Å | ||
| 189 | F | 91.8 | Very high | 85.6 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 44% | 0.443 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.3 | -41.6 | 175.5 | 173.9 | -93.6 | 0 | 0 | 0 | 112.4 | Y187 H191 S192 E193 T540 | Y187-F189 PolarHBondContact O-N 3.35Å; F189-H191 VanDerWaalsContact C-N 3.3Å; F189-H191 PolarHBondContact O-N 3.34Å; F189-S192 PolarHBondContact O-N 3.04Å; F189-E193 HydrophobicContact CD1-CG 4.48Å; F189-E193 HydrophobicContact CE1-CG 3.9Å; F189-E193 HydrophobicContact CE2-CG 4.15Å; F189-E193 HydrophobicContact CZ-CG 3.71Å; F189-E193 PolarHBondContact O-N 3.29Å; F189-T540 HydrophobicContact CE1-CG2 4Å; F189-T540 HydrophobicContact CZ-CG2 4.18Å |
| 190 | E | 91.4 | Very high | 85.9 | Confident | 49 Ų | 49 | 59 Ų | 59 | 23% | 0.229 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.8 | -38.2 | -179.3 | -65.3 | -171.1 | 168.3 | 0 | 0 | 110.3 | R152 D188 F194 M539 | R152-E190 IonicContact CZ-OE2 3.37Å; R152-E190 IonicContact NH1-OE2 3.49Å; R152-E190 PolarHBondContact NH1-OE2 3.45Å; R152-E190 IonicContact NH2-OE1 2.8Å; R152-E190 IonicContact NH2-OE2 3.01Å; R152-E190 PolarHBondContact NH2-OE2 3.4Å; D188-E190 VanDerWaalsContact C-N 3.31Å; D188-E190 PolarHBondContact O-N 2.98Å; D188-E190 PolarHBondContact OD1-N 3.34Å; E190-F194 WeakPolarHBondContact O-CB 3.26Å; E190-F194 PolarHBondContact O-N 3.45Å; E190-M539 HydrophobicContact CB-CB 3.75Å; E190-M539 HydrophobicContact CB-CG 4.15Å; E190-M539 HydrophobicContact CG-CB 3.98Å; E190-M539 VanDerWaalsContact O-CG 3.26Å; E190-M539 WeakPolarHBondContact O-CG 3.19Å |
| 191 | H | 92.2 | Very high | 86.2 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 175.2 | -169.4 | 68.3 | 0 | 0 | 0 | 112 | D188 F189 E193 F194 L195 E221 | D188-H191 HydrophobicContact CB-CB 3.76Å; D188-H191 PolarHBondContact O-N 2.86Å; F189-H191 VanDerWaalsContact C-N 3.3Å; F189-H191 PolarHBondContact O-N 3.34Å; H191-E193 PolarHBondContact O-N 2.97Å; H191-F194 WeakPolarHBondContact O-CB 3.4Å; H191-F194 PolarHBondContact O-N 3.19Å; H191-L195 WeakPolarHBondContact O-CG 3.43Å; H191-L195 PolarHBondContact O-N 2.95Å; H191-E221 IonicContact CD2-OE2 3.59Å; H191-E221 IonicContact NE2-OE2 3.23Å; H191-E221 PolarHBondContact NE2-OE2 2.98Å |
| 192 | S | 94 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57 | -48.9 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | D188 F189 F194 L195 L196 I222 C223 | D188-S192 PolarHBondContact O-N 3.46Å; F189-S192 PolarHBondContact O-N 3.04Å; S192-F194 VanDerWaalsContact C-N 3.31Å; S192-F194 PolarHBondContact O-N 2.93Å; S192-L195 PolarHBondContact O-N 3.02Å; S192-L196 WeakPolarHBondContact O-CG 3.32Å; S192-L196 PolarHBondContact O-N 3.23Å; S192-L196 VanDerWaalsContact O-N 3.08Å; S192-I222 WeakPolarHBondContact OG-CA 3.4Å; S192-C223 VanDerWaalsContact CB-SG 3.53Å; S192-C223 PolarHBondContact OG-N 3.39Å; S192-C223 PolarHBondContact OG-SG 3.37Å; S192-C223 VanDerWaalsContact OG-SG 3.36Å |
| 193 | E | 94.2 | Very high | 87.5 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63 | -38.9 | 177.7 | -79.6 | -67.2 | 111 | 0 | 0 | 112.1 | F189 H191 L196 Y197 M539 | F189-E193 HydrophobicContact CD1-CG 4.48Å; F189-E193 HydrophobicContact CE1-CG 3.9Å; F189-E193 HydrophobicContact CE2-CG 4.15Å; F189-E193 HydrophobicContact CZ-CG 3.71Å; F189-E193 PolarHBondContact O-N 3.29Å; H191-E193 PolarHBondContact O-N 2.97Å; E193-L196 PolarHBondContact O-N 3.27Å; E193-Y197 WeakPolarHBondContact O-CB 3.49Å; E193-Y197 PolarHBondContact O-N 2.88Å; E193-M539 VanDerWaalsContact CB-O 3.27Å; E193-M539 WeakPolarHBondContact CB-O 3.23Å |
| 194 | F | 94.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -44 | 175.7 | 171.7 | -94.5 | 0 | 0 | 0 | 112.3 | L175 F178 R179 E190 H191 S192 Y197 Q198 M539 | L175-F194 HydrophobicContact CB-CZ 4.32Å; L175-F194 HydrophobicContact CD2-CE2 3.54Å; L175-F194 HydrophobicContact CD2-CZ 3.99Å; F178-F194 HydrophobicContact CD1-CD2 4.22Å; F178-F194 AromaticContact CD1-CE2 3.47Å; F178-F194 HydrophobicContact CD1-CE2 3.47Å; F178-F194 VanDerWaalsContact CD1-CE2 3.47Å; F178-F194 AromaticContact CD1-CZ 3.66Å; F178-F194 HydrophobicContact CD1-CZ 3.66Å; F178-F194 HydrophobicContact CE1-CD2 4.14Å; F178-F194 AromaticContact CE1-CE2 3.85Å; F178-F194 HydrophobicContact CE1-CE2 3.85Å; F178-F194 HydrophobicContact CE1-CZ 4.32Å; R179-F194 HydrophobicContact CB-CE1 3.76Å; R179-F194 HydrophobicContact CB-CZ 4.21Å; R179-F194 HydrophobicContact CG-CE1 3.88Å; E190-F194 WeakPolarHBondContact O-CB 3.26Å; E190-F194 PolarHBondContact O-N 3.45Å; H191-F194 WeakPolarHBondContact O-CB 3.4Å; H191-F194 PolarHBondContact O-N 3.19Å; S192-F194 VanDerWaalsContact C-N 3.31Å; S192-F194 PolarHBondContact O-N 2.93Å; F194-Y197 WeakPolarHBondContact O-CB 3.3Å; F194-Y197 PolarHBondContact O-N 3.09Å; F194-Q198 PolarHBondContact O-N 3.48Å; F194-M539 HydrophobicContact CB-CE 4.03Å; F194-M539 HydrophobicContact CB-CG 4.08Å; F194-M539 HydrophobicContact CD2-CE 3.97Å; F194-M539 HydrophobicContact CG-CE 4.22Å |
| 195 | L | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 176.5 | -70.3 | 169.5 | 0 | 0 | 0 | 111.3 | H191 S192 Y197 Q198 N199 H214 F218 E221 I222 | H191-L195 WeakPolarHBondContact O-CG 3.43Å; H191-L195 PolarHBondContact O-N 2.95Å; S192-L195 PolarHBondContact O-N 3.02Å; L195-Y197 VanDerWaalsContact C-N 3.29Å; L195-Y197 PolarHBondContact O-N 3.13Å; L195-Q198 PolarHBondContact O-N 2.8Å; L195-N199 WeakPolarHBondContact O-CB 3.39Å; L195-N199 PolarHBondContact O-N 2.98Å; L195-H214 PolarHBondContact O-CE1 2.83Å; L195-H214 VanDerWaalsContact O-CE1 3.31Å; L195-F218 HydrophobicContact CD1-CB 3.85Å; L195-F218 HydrophobicContact CD1-CG 4.32Å; L195-F218 HydrophobicContact CD2-CB 4.19Å; L195-F218 HydrophobicContact CD2-CD1 4.31Å; L195-F218 HydrophobicContact CD2-CD2 3.94Å; L195-F218 HydrophobicContact CD2-CE2 4.47Å; L195-F218 HydrophobicContact CD2-CG 3.88Å; L195-E221 HydrophobicContact CD1-CB 3.83Å; L195-I222 HydrophobicContact CB-CG1 4.24Å; L195-I222 HydrophobicContact CD1-CG1 4.13Å |
| 196 | L | 97.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -36.1 | 175.5 | -70.9 | 173.3 | 0 | 0 | 0 | 112.2 | S192 E193 N199 M200 L215 I222 D224 | S192-L196 WeakPolarHBondContact O-CG 3.32Å; S192-L196 PolarHBondContact O-N 3.23Å; S192-L196 VanDerWaalsContact O-N 3.08Å; E193-L196 PolarHBondContact O-N 3.27Å; L196-N199 WeakPolarHBondContact O-CB 3.37Å; L196-N199 PolarHBondContact O-N 3.43Å; L196-M200 PolarHBondContact O-N 3.13Å; L196-L215 HydrophobicContact CD2-CD1 4.28Å; L196-I222 HydrophobicContact CD1-CG2 4.14Å; L196-I222 HydrophobicContact CD2-CD1 4.23Å; L196-I222 HydrophobicContact CD2-CG2 4.07Å; L196-I222 HydrophobicContact CG-CG2 4.13Å; L196-D224 HydrophobicContact CD1-CB 4.05Å |
| 197 | Y | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.7 | -45.9 | 174.2 | 174.8 | -106.7 | 0 | 0 | 0 | 111.9 | L160 H163 L175 E193 F194 L195 N199 M200 V201 L541 C542 V545 | L160-Y197 WeakPolarHBondContact CA-OH 3.47Å; H163-Y197 AromaticContact CE1-CE2 3.83Å; H163-Y197 AromaticContact ND1-CE2 3.46Å; H163-Y197 WeakPolarHBondContact ND1-CE2 3.45Å; H163-Y197 AromaticContact ND1-CZ 3.52Å; H163-Y197 PolarHBondContact ND1-OH 3.28Å; L175-Y197 HydrophobicContact CD1-CD1 4.26Å; L175-Y197 HydrophobicContact CD1-CE1 3.9Å; L175-Y197 HydrophobicContact CD2-CD1 4.11Å; L175-Y197 HydrophobicContact CD2-CE1 3.87Å; E193-Y197 WeakPolarHBondContact O-CB 3.49Å; E193-Y197 PolarHBondContact O-N 2.88Å; F194-Y197 WeakPolarHBondContact O-CB 3.3Å; F194-Y197 PolarHBondContact O-N 3.09Å; L195-Y197 VanDerWaalsContact C-N 3.29Å; L195-Y197 PolarHBondContact O-N 3.13Å; Y197-N199 PolarHBondContact O-N 3.38Å; Y197-M200 VanDerWaalsContact O-CB 3.31Å; Y197-M200 WeakPolarHBondContact O-CB 3.35Å; Y197-M200 PolarHBondContact O-N 3.05Å; Y197-M200 VanDerWaalsContact O-N 3.09Å; Y197-V201 HydrophobicContact CE1-CG2 4.2Å; Y197-V201 HydrophobicContact CE2-CG2 4.3Å; Y197-V201 WeakPolarHBondContact O-CG2 3.5Å; Y197-V201 PolarHBondContact O-N 2.85Å; Y197-L541 HydrophobicContact CD1-CB 4.2Å; Y197-L541 HydrophobicContact CD1-CD1 3.59Å; Y197-L541 HydrophobicContact CD2-CB 3.62Å; Y197-L541 HydrophobicContact CE1-CD1 4.05Å; Y197-L541 HydrophobicContact CE2-CB 4.18Å; Y197-L541 HydrophobicContact CG-CB 3.62Å; Y197-L541 HydrophobicContact CG-CD1 3.85Å; Y197-L541 HydrophobicContact CG-CG 4.4Å; Y197-C542 VanDerWaalsContact CA-SG 3.52Å; Y197-C542 PolarHBondContact N-SG 3.23Å; Y197-C542 VanDerWaalsContact N-SG 3.42Å; Y197-V545 HydrophobicContact CE2-CG2 3.92Å |
| 198 | Q | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.9 | -41 | 174 | -169.7 | -176.5 | 11.9 | 0 | 0 | 110.9 | L172 L175 E176 F194 L195 V201 Y202 H214 | L172-Q198 HydrophobicContact CD2-CG 4.42Å; L175-Q198 HydrophobicContact CB-CG 4.09Å; L175-Q198 HydrophobicContact CD1-CB 4.49Å; L175-Q198 HydrophobicContact CD1-CG 4.33Å; E176-Q198 PolarHBondContact OE2-NE2 3.34Å; F194-Q198 PolarHBondContact O-N 3.48Å; L195-Q198 PolarHBondContact O-N 2.8Å; Q198-V201 PolarHBondContact O-N 2.96Å; Q198-Y202 HydrophobicContact CG-CD2 4.26Å; Q198-Y202 HydrophobicContact CG-CE2 3.92Å; Q198-Y202 VanDerWaalsContact O-CD2 3.28Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.44Å; Q198-Y202 PolarHBondContact O-N 2.99Å; Q198-Y202 VanDerWaalsContact O-N 3.07Å; Q198-H214 PolarHBondContact OE1-NE2 2.86Å |
| 199 | N | 98.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 175 | -160.1 | -92.6 | 0 | 0 | 0 | 113 | L195 L196 Y197 V201 Y202 R203 A211 H214 T231 | L195-N199 WeakPolarHBondContact O-CB 3.39Å; L195-N199 PolarHBondContact O-N 2.98Å; L196-N199 WeakPolarHBondContact O-CB 3.37Å; L196-N199 PolarHBondContact O-N 3.43Å; Y197-N199 PolarHBondContact O-N 3.38Å; N199-V201 VanDerWaalsContact C-N 3.31Å; N199-V201 PolarHBondContact O-N 3.14Å; N199-Y202 PolarHBondContact O-N 3.39Å; N199-R203 VanDerWaalsContact O-CG 3.27Å; N199-R203 WeakPolarHBondContact O-CG 3.43Å; N199-R203 PolarHBondContact O-N 3.41Å; N199-R203 WeakPolarHBondContact OD1-CD 3.44Å; N199-A211 PolarHBondContact ND2-O 3.47Å; N199-H214 PolarHBondContact ND2-ND1 3.1Å; N199-T231 WeakPolarHBondContact OD1-CG2 3.48Å |
| 200 | M | 98.2 | Very high | 96.5 | Very high | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57 | -45.1 | 172.4 | 177.4 | -176.2 | -69.8 | 0 | 0 | 111 | L196 Y197 Y202 R203 E204 C542 V545 | L196-M200 PolarHBondContact O-N 3.13Å; Y197-M200 VanDerWaalsContact O-CB 3.31Å; Y197-M200 WeakPolarHBondContact O-CB 3.35Å; Y197-M200 PolarHBondContact O-N 3.05Å; Y197-M200 VanDerWaalsContact O-N 3.09Å; M200-Y202 PolarHBondContact O-N 3.27Å; M200-R203 WeakPolarHBondContact O-CB 3.28Å; M200-R203 PolarHBondContact O-N 2.9Å; M200-E204 WeakPolarHBondContact CG-OE1 3.26Å; M200-E204 WeakPolarHBondContact O-CG 3.24Å; M200-E204 PolarHBondContact O-N 3.2Å; M200-C542 HydrophobicContact CE-CB 3.82Å; M200-V545 HydrophobicContact SD-CB 4.37Å; M200-V545 HydrophobicContact SD-CG1 4.28Å |
| 201 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | H163 Y168 A171 L172 L175 Y197 Q198 N199 R203 E204 A205 | H163-V201 HydrophobicContact CB-CG2 4.43Å; Y168-V201 HydrophobicContact CD1-CG1 4.09Å; A171-V201 HydrophobicContact CB-CG1 4.07Å; L172-V201 HydrophobicContact CD2-CB 3.88Å; L172-V201 HydrophobicContact CD2-CG1 3.74Å; L172-V201 HydrophobicContact CG-CB 4.47Å; L172-V201 HydrophobicContact CG-CG1 3.78Å; L175-V201 HydrophobicContact CD1-CB 4.33Å; L175-V201 HydrophobicContact CD1-CG2 3.89Å; Y197-V201 HydrophobicContact CE1-CG2 4.2Å; Y197-V201 HydrophobicContact CE2-CG2 4.3Å; Y197-V201 WeakPolarHBondContact O-CG2 3.5Å; Y197-V201 PolarHBondContact O-N 2.85Å; Q198-V201 PolarHBondContact O-N 2.96Å; N199-V201 VanDerWaalsContact C-N 3.31Å; N199-V201 PolarHBondContact O-N 3.14Å; V201-R203 VanDerWaalsContact C-N 3.3Å; V201-R203 PolarHBondContact O-N 3.35Å; V201-E204 PolarHBondContact O-N 3.18Å; V201-A205 VanDerWaalsContact O-CB 3.31Å; V201-A205 WeakPolarHBondContact O-CB 3.34Å; V201-A205 PolarHBondContact O-N 3.01Å |
| 202 | Y | 98.2 | Very high | 97.1 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 11% | 0.114 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.6 | -41.9 | 174.3 | -81.8 | -69.2 | 0 | 0 | 0 | 112.5 | L172 Q198 N199 M200 A205 G206 R207 E210 H214 | L172-Y202 HydrophobicContact CD1-CD1 3.59Å; L172-Y202 HydrophobicContact CD1-CE1 3.74Å; L172-Y202 HydrophobicContact CD1-CG 4.24Å; L172-Y202 HydrophobicContact CD2-CD1 3.77Å; L172-Y202 HydrophobicContact CD2-CD2 3.68Å; L172-Y202 HydrophobicContact CD2-CE1 3.84Å; L172-Y202 HydrophobicContact CD2-CE2 3.75Å; L172-Y202 HydrophobicContact CD2-CG 3.68Å; L172-Y202 HydrophobicContact CG-CD1 4.32Å; L172-Y202 HydrophobicContact CG-CE1 4.29Å; Q198-Y202 HydrophobicContact CG-CD2 4.26Å; Q198-Y202 HydrophobicContact CG-CE2 3.92Å; Q198-Y202 VanDerWaalsContact O-CD2 3.28Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.44Å; Q198-Y202 PolarHBondContact O-N 2.99Å; Q198-Y202 VanDerWaalsContact O-N 3.07Å; N199-Y202 PolarHBondContact O-N 3.39Å; M200-Y202 PolarHBondContact O-N 3.27Å; Y202-A205 PolarHBondContact O-N 3.23Å; Y202-G206 PolarHBondContact O-N 3.07Å; Y202-R207 HydrophobicContact CD1-CB 4.33Å; Y202-R207 PolarHBondContact O-N 3.46Å; Y202-E210 HydrophobicContact CD1-CB 3.95Å; Y202-E210 HydrophobicContact CE1-CB 4.01Å; Y202-E210 WeakPolarHBondContact CE1-OE2 3.45Å; Y202-H214 HydrophobicContact CD2-CB 4.37Å; Y202-H214 HydrophobicContact CE2-CB 4.24Å; Y202-H214 AromaticContact CE2-CD2 3.75Å |
| 203 | R | 97.9 | Very high | 97.3 | Very high | 76 Ų | 76 | 32.1 Ų | 32.1 | 29% | 0.287 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 179.1 | -70.5 | 167.5 | 62.7 | -170.8 | 4 | 112 | N199 M200 V201 A205 G206 A211 T231 L235 | N199-R203 VanDerWaalsContact O-CG 3.27Å; N199-R203 WeakPolarHBondContact O-CG 3.43Å; N199-R203 PolarHBondContact O-N 3.41Å; N199-R203 WeakPolarHBondContact OD1-CD 3.44Å; M200-R203 WeakPolarHBondContact O-CB 3.28Å; M200-R203 PolarHBondContact O-N 2.9Å; V201-R203 VanDerWaalsContact C-N 3.3Å; V201-R203 PolarHBondContact O-N 3.35Å; R203-A205 VanDerWaalsContact C-N 3.29Å; R203-A205 PolarHBondContact O-N 2.89Å; R203-G206 PolarHBondContact O-N 3.35Å; R203-G206 VanDerWaalsContact O-N 3.08Å; R203-A211 HydrophobicContact CG-CB 3.95Å; R203-T231 PolarHBondContact NH1-OG1 3.37Å; R203-L235 HydrophobicContact CG-CD2 3.95Å |
| 204 | E | 97.3 | Very high | 97.4 | Very high | 60 Ų | 60 | 31.9 Ų | 31.9 | 28% | 0.28 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -70.5 | -28.4 | 179.7 | -67.4 | -173.4 | -164.4 | 0 | 0 | 112.2 | H163 Y168 M200 V201 G206 R549 | H163-E204 IonicContact CD2-OE2 3.96Å; H163-E204 IonicContact CE1-OE2 3.22Å; H163-E204 IonicContact NE2-OE2 3.45Å; H163-E204 PolarHBondContact NE2-OE2 2.92Å; Y168-E204 HydrophobicContact CD1-CB 4.42Å; Y168-E204 HydrophobicContact CE1-CB 3.68Å; M200-E204 WeakPolarHBondContact CG-OE1 3.26Å; M200-E204 WeakPolarHBondContact O-CG 3.24Å; M200-E204 PolarHBondContact O-N 3.2Å; V201-E204 PolarHBondContact O-N 3.18Å; E204-G206 PolarHBondContact O-N 3.27Å; E204-R549 IonicContact OE1-CZ 2.96Å; E204-R549 VanDerWaalsContact OE1-CZ 3.28Å; E204-R549 IonicContact OE1-NH1 3.75Å; E204-R549 PolarHBondContact OE1-NH1 2.88Å; E204-R549 IonicContact OE1-NH2 3.93Å; E204-R549 PolarHBondContact OE1-NH2 3.32Å; E204-R549 IonicContact OE2-CZ 3.51Å; E204-R549 IonicContact OE2-NH1 2.85Å; E204-R549 IonicContact OE2-NH2 3.11Å; E204-R549 PolarHBondContact OE2-NH2 3.32Å |
| 205 | A | 97.2 | Very high | 97.5 | Very high | 27 Ų | 27 | 31.8 Ų | 31.8 | 22% | 0.223 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -7 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y168 L172 V201 Y202 R203 R207 | Y168-A205 HydrophobicContact CD1-CB 4.21Å; Y168-A205 HydrophobicContact CD2-CB 4.24Å; Y168-A205 HydrophobicContact CG-CB 3.74Å; L172-A205 HydrophobicContact CD1-CB 4.32Å; V201-A205 VanDerWaalsContact O-CB 3.31Å; V201-A205 WeakPolarHBondContact O-CB 3.34Å; V201-A205 PolarHBondContact O-N 3.01Å; Y202-A205 PolarHBondContact O-N 3.23Å; R203-A205 VanDerWaalsContact C-N 3.29Å; R203-A205 PolarHBondContact O-N 2.89Å; A205-R207 VanDerWaalsContact C-N 3.25Å; A205-R207 HydrophobicContact CB-CG 4.13Å; A205-R207 PolarHBondContact O-N 3.41Å |
| 206 | G | 96.4 | Very high | 97.6 | Very high | 53 Ų | 53 | 35.8 Ų | 35.8 | 55% | 0.546 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 9.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y202 R203 E204 L208 | Y202-G206 PolarHBondContact O-N 3.07Å; R203-G206 PolarHBondContact O-N 3.35Å; R203-G206 VanDerWaalsContact O-N 3.08Å; E204-G206 PolarHBondContact O-N 3.27Å; G206-L208 VanDerWaalsContact C-N 3.3Å; G206-L208 PolarHBondContact O-N 2.98Å; G206-L208 VanDerWaalsContact O-N 3.07Å |
| 207 | R | 96.9 | Very high | 97.5 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 33% | 0.328 | 22% | 0.222 | S | C | . | . | trans | -87.6 | 66.4 | -178.7 | -63 | 179.8 | 176.3 | -152.3 | -1.5 | 111.2 | D169 Y202 A205 D209 E210 A211 | D169-R207 VanDerWaalsContact CG-NH2 3.34Å; D169-R207 IonicContact OD1-CZ 2.73Å; D169-R207 VanDerWaalsContact OD1-CZ 3.23Å; D169-R207 IonicContact OD1-NE 2.86Å; D169-R207 IonicContact OD1-NH2 3.79Å; D169-R207 PolarHBondContact OD1-NH2 2.83Å; D169-R207 IonicContact OD2-NH2 2.71Å; Y202-R207 HydrophobicContact CD1-CB 4.33Å; Y202-R207 PolarHBondContact O-N 3.46Å; A205-R207 VanDerWaalsContact C-N 3.25Å; A205-R207 HydrophobicContact CB-CG 4.13Å; A205-R207 PolarHBondContact O-N 3.41Å; R207-D209 PolarHBondContact O-N 3.2Å; R207-E210 HydrophobicContact CB-CB 4.23Å; R207-E210 WeakPolarHBondContact CD-OE1 3.38Å; R207-E210 IonicContact NH1-OE1 3.39Å; R207-E210 IonicContact NH1-OE2 2.77Å; R207-E210 PolarHBondContact O-N 3.34Å; R207-A211 WeakPolarHBondContact O-CB 3.32Å; R207-A211 PolarHBondContact O-N 3.44Å | ||
| 208 | L | 97.8 | Very high | 97.3 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -38.2 | -168.1 | -56 | -177.6 | 0 | 0 | 0 | 113.6 | G206 A211 L212 L235 Q238 L239 | G206-L208 VanDerWaalsContact C-N 3.3Å; G206-L208 PolarHBondContact O-N 2.98Å; G206-L208 VanDerWaalsContact O-N 3.07Å; L208-A211 WeakPolarHBondContact O-CB 3.35Å; L208-A211 PolarHBondContact O-N 3.32Å; L208-L212 PolarHBondContact O-N 3.11Å; L208-L235 HydrophobicContact CB-CD2 4.25Å; L208-L235 HydrophobicContact CD2-CD2 3.94Å; L208-Q238 HydrophobicContact CD1-CB 3.62Å; L208-Q238 VanDerWaalsContact CD2-OE1 3.3Å; L208-L239 HydrophobicContact CB-CD2 3.6Å; L208-L239 HydrophobicContact CB-CG 4.03Å |
| 209 | D | 97.3 | Very high | 97.2 | Very high | 108 Ų | 108 | 48.1 Ų | 48.1 | 58% | 0.578 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.3 | -44.8 | 177.5 | -70.3 | -61.9 | 0 | 0 | 0 | 111.7 | R207 A211 L212 A213 L239 | R207-D209 PolarHBondContact O-N 3.2Å; D209-A211 VanDerWaalsContact C-N 3.34Å; D209-L212 PolarHBondContact O-N 2.7Å; D209-A213 WeakPolarHBondContact O-CB 3.4Å; D209-A213 PolarHBondContact O-N 2.85Å; D209-L239 VanDerWaalsContact OD1-CD2 3.23Å; D209-L239 WeakPolarHBondContact OD1-CD2 3.39Å |
| 210 | E | 97.4 | Very high | 96.9 | Very high | 86 Ų | 86 | 53 Ų | 53 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 175.6 | -67 | 177.5 | -125.3 | 0 | 0 | 111.2 | Y202 R207 L212 A213 H214 | Y202-E210 HydrophobicContact CD1-CB 3.95Å; Y202-E210 HydrophobicContact CE1-CB 4.01Å; Y202-E210 WeakPolarHBondContact CE1-OE2 3.45Å; R207-E210 HydrophobicContact CB-CB 4.23Å; R207-E210 WeakPolarHBondContact CD-OE1 3.38Å; R207-E210 IonicContact NH1-OE1 3.39Å; R207-E210 IonicContact NH1-OE2 2.77Å; R207-E210 PolarHBondContact O-N 3.34Å; E210-L212 VanDerWaalsContact C-N 3.34Å; E210-L212 PolarHBondContact O-N 3.23Å; E210-A213 PolarHBondContact O-N 2.77Å; E210-H214 VanDerWaalsContact O-CB 3.22Å; E210-H214 WeakPolarHBondContact O-CB 3.38Å; E210-H214 PolarHBondContact O-N 3.18Å |
| 211 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N199 R203 R207 L208 D209 L215 L235 | N199-A211 PolarHBondContact ND2-O 3.47Å; R203-A211 HydrophobicContact CG-CB 3.95Å; R207-A211 WeakPolarHBondContact O-CB 3.32Å; R207-A211 PolarHBondContact O-N 3.44Å; L208-A211 WeakPolarHBondContact O-CB 3.35Å; L208-A211 PolarHBondContact O-N 3.32Å; D209-A211 VanDerWaalsContact C-N 3.34Å; A211-L215 VanDerWaalsContact O-CB 3.32Å; A211-L215 WeakPolarHBondContact O-CB 3.38Å; A211-L215 PolarHBondContact O-N 2.87Å; A211-L235 HydrophobicContact CB-CD1 3.9Å; A211-L235 HydrophobicContact CB-CD2 3.8Å |
| 212 | L | 98.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 178.7 | -179.2 | 62.8 | 0 | 0 | 0 | 111 | L208 D209 E210 H214 L215 E216 K232 L235 L236 L239 | L208-L212 PolarHBondContact O-N 3.11Å; D209-L212 PolarHBondContact O-N 2.7Å; E210-L212 VanDerWaalsContact C-N 3.34Å; E210-L212 PolarHBondContact O-N 3.23Å; L212-H214 VanDerWaalsContact C-N 3.33Å; L212-H214 PolarHBondContact O-N 3.03Å; L212-L215 PolarHBondContact O-N 3.33Å; L212-E216 HydrophobicContact CD1-CG 4.18Å; L212-E216 WeakPolarHBondContact O-CG 3.46Å; L212-E216 PolarHBondContact O-N 3.49Å; L212-K232 HydrophobicContact CD1-CG 4.2Å; L212-L235 HydrophobicContact CB-CB 4.45Å; L212-L235 HydrophobicContact CB-CD1 4.29Å; L212-L235 HydrophobicContact CD1-CB 4.33Å; L212-L236 HydrophobicContact CD1-CD2 4.35Å; L212-L236 HydrophobicContact CD1-CG 4.33Å; L212-L236 HydrophobicContact CD2-CD2 3.67Å; L212-L236 HydrophobicContact CD2-CG 4.39Å; L212-L239 HydrophobicContact CB-CD1 4.14Å; L212-L239 HydrophobicContact CD2-CD1 3.72Å |
| 213 | A | 98 | Very high | 96.1 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | D209 E210 R217 | D209-A213 WeakPolarHBondContact O-CB 3.4Å; D209-A213 PolarHBondContact O-N 2.85Å; E210-A213 PolarHBondContact O-N 2.77Å; A213-R217 WeakPolarHBondContact O-CB 3.32Å; A213-R217 PolarHBondContact O-N 3.4Å |
| 214 | H | 97.7 | Very high | 96 | Very high | 14 Ų | 14 | 55.1 Ų | 55.1 | 7% | 0.065 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 174.1 | 175.2 | -83.2 | 0 | 0 | 0 | 111.2 | L195 Q198 N199 Y202 E210 L212 E216 R217 F218 | L195-H214 PolarHBondContact O-CE1 2.83Å; L195-H214 VanDerWaalsContact O-CE1 3.31Å; Q198-H214 PolarHBondContact OE1-NE2 2.86Å; N199-H214 PolarHBondContact ND2-ND1 3.1Å; Y202-H214 HydrophobicContact CD2-CB 4.37Å; Y202-H214 HydrophobicContact CE2-CB 4.24Å; Y202-H214 AromaticContact CE2-CD2 3.75Å; E210-H214 VanDerWaalsContact O-CB 3.22Å; E210-H214 WeakPolarHBondContact O-CB 3.38Å; E210-H214 PolarHBondContact O-N 3.18Å; L212-H214 VanDerWaalsContact C-N 3.33Å; L212-H214 PolarHBondContact O-N 3.03Å; H214-E216 PolarHBondContact O-N 3.26Å; H214-R217 PolarHBondContact O-N 2.73Å; H214-F218 AromaticContact CD2-CD2 3.76Å; H214-F218 AromaticContact CD2-CE2 3.64Å; H214-F218 AromaticContact CE1-CD2 3.93Å; H214-F218 AromaticContact NE2-CD2 3.65Å; H214-F218 AromaticContact NE2-CE2 3.76Å; H214-F218 VanDerWaalsContact O-CD2 3.23Å; H214-F218 WeakPolarHBondContact O-CD2 3.46Å; H214-F218 PolarHBondContact O-N 2.95Å; H214-F218 VanDerWaalsContact O-N 3.16Å |
| 215 | L | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | -178.5 | -166.8 | 67.1 | 0 | 0 | 0 | 111.9 | L196 A211 L212 Q219 I222 Y228 T231 K232 L235 | L196-L215 HydrophobicContact CD2-CD1 4.28Å; A211-L215 VanDerWaalsContact O-CB 3.32Å; A211-L215 WeakPolarHBondContact O-CB 3.38Å; A211-L215 PolarHBondContact O-N 2.87Å; L212-L215 PolarHBondContact O-N 3.33Å; L215-Q219 PolarHBondContact O-N 3.29Å; L215-I222 HydrophobicContact CD1-CD1 3.83Å; L215-Y228 HydrophobicContact CD1-CD2 3.79Å; L215-Y228 HydrophobicContact CD1-CE2 4.34Å; L215-Y228 HydrophobicContact CD2-CD2 4.16Å; L215-Y228 HydrophobicContact CD2-CE2 4.26Å; L215-Y228 HydrophobicContact CG-CD2 3.63Å; L215-Y228 HydrophobicContact CG-CE2 3.7Å; L215-Y228 WeakPolarHBondContact O-CE2 3.5Å; L215-T231 HydrophobicContact CD2-CG2 3.93Å; L215-K232 HydrophobicContact CD2-CB 3.8Å; L215-L235 HydrophobicContact CD2-CD1 4.21Å |
| 216 | E | 96.7 | Very high | 95.8 | Very high | 85 Ų | 85 | 58.2 Ų | 58.2 | 40% | 0.397 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.4 | -40.2 | 178.9 | -68.9 | -173.7 | 147 | 0 | 0 | 112.3 | L212 H214 F218 Q219 K232 | L212-E216 HydrophobicContact CD1-CG 4.18Å; L212-E216 WeakPolarHBondContact O-CG 3.46Å; L212-E216 PolarHBondContact O-N 3.49Å; H214-E216 PolarHBondContact O-N 3.26Å; E216-F218 VanDerWaalsContact C-N 3.29Å; E216-F218 PolarHBondContact O-N 3.1Å; E216-Q219 WeakPolarHBondContact O-CB 3.38Å; E216-Q219 PolarHBondContact O-N 2.86Å; E216-K232 WeakPolarHBondContact OE1-CE 3.32Å; E216-K232 IonicContact OE1-NZ 2.76Å; E216-K232 PolarHBondContact OE1-NZ 3.25Å |
| 217 | R | 95.7 | Very high | 95.8 | Very high | 178 Ų | 178 | 56.7 Ų | 56.7 | 67% | 0.672 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.2 | -41.3 | 177.2 | 178.9 | 178.2 | 179.7 | 178.3 | 2.1 | 112.3 | A213 H214 | A213-R217 WeakPolarHBondContact O-CB 3.32Å; A213-R217 PolarHBondContact O-N 3.4Å; H214-R217 PolarHBondContact O-N 2.73Å |
| 218 | F | 93.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 4% | 0.044 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 14.5 | -175.5 | -60.3 | -65.5 | 0 | 0 | 0 | 114.1 | R179 L195 H214 E216 A220 E221 I222 | R179-F218 VanDerWaalsContact NH1-CE1 3.28Å; L195-F218 HydrophobicContact CD1-CB 3.85Å; L195-F218 HydrophobicContact CD1-CG 4.32Å; L195-F218 HydrophobicContact CD2-CB 4.19Å; L195-F218 HydrophobicContact CD2-CD1 4.31Å; L195-F218 HydrophobicContact CD2-CD2 3.94Å; L195-F218 HydrophobicContact CD2-CE2 4.47Å; L195-F218 HydrophobicContact CD2-CG 3.88Å; H214-F218 AromaticContact CD2-CD2 3.76Å; H214-F218 AromaticContact CD2-CE2 3.64Å; H214-F218 AromaticContact CE1-CD2 3.93Å; H214-F218 AromaticContact NE2-CD2 3.65Å; H214-F218 AromaticContact NE2-CE2 3.76Å; H214-F218 VanDerWaalsContact O-CD2 3.23Å; H214-F218 WeakPolarHBondContact O-CD2 3.46Å; H214-F218 PolarHBondContact O-N 2.95Å; H214-F218 VanDerWaalsContact O-N 3.16Å; E216-F218 VanDerWaalsContact C-N 3.29Å; E216-F218 PolarHBondContact O-N 3.1Å; F218-A220 PolarHBondContact O-N 3.4Å; F218-A220 VanDerWaalsContact O-N 3.14Å; F218-E221 WeakPolarHBondContact CD1-OE1 3.3Å; F218-E221 PolarHBondContact O-N 2.83Å; F218-I222 WeakPolarHBondContact O-CG1 3.43Å; F218-I222 PolarHBondContact O-N 3.19Å |
| 219 | Q | 94.1 | Very high | 95.8 | Very high | 82 Ų | 82 | 52 Ų | 52 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -51.8 | -41.4 | -177.8 | 177.7 | -177.8 | -3.3 | 0 | 0 | 113.2 | L215 E216 E221 I222 Y228 | L215-Q219 PolarHBondContact O-N 3.29Å; E216-Q219 WeakPolarHBondContact O-CB 3.38Å; E216-Q219 PolarHBondContact O-N 2.86Å; Q219-E221 PolarHBondContact O-N 2.99Å; Q219-I222 PolarHBondContact O-N 3.05Å; Q219-Y228 HydrophobicContact CB-CD2 4.47Å; Q219-Y228 HydrophobicContact CB-CE2 3.71Å; Q219-Y228 VanDerWaalsContact CD-CZ 3.46Å; Q219-Y228 HydrophobicContact CG-CD2 4.26Å; Q219-Y228 HydrophobicContact CG-CE1 4.02Å; Q219-Y228 HydrophobicContact CG-CE2 3.62Å; Q219-Y228 PolarHBondContact OE1-OH 3.34Å |
| 220 | A | 92 | Very high | 95.8 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 85% | 0.851 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -69 | -19.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | F218 | F218-A220 PolarHBondContact O-N 3.4Å; F218-A220 VanDerWaalsContact O-N 3.14Å |
| 221 | E | 92.4 | Very high | 95.9 | Very high | 54 Ų | 54 | 46.4 Ų | 46.4 | 25% | 0.252 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -97.5 | -11.9 | -178.7 | -56.8 | -171.3 | -119 | 0 | 0 | 112.2 | N184 H191 L195 F218 Q219 | N184-E221 VanDerWaalsContact CG-OE2 3.3Å; N184-E221 PolarHBondContact ND2-OE1 3.07Å; N184-E221 PolarHBondContact ND2-OE2 3.06Å; H191-E221 IonicContact CD2-OE2 3.59Å; H191-E221 IonicContact NE2-OE2 3.23Å; H191-E221 PolarHBondContact NE2-OE2 2.98Å; L195-E221 HydrophobicContact CD1-CB 3.83Å; F218-E221 WeakPolarHBondContact CD1-OE1 3.3Å; F218-E221 PolarHBondContact O-N 2.83Å; Q219-E221 PolarHBondContact O-N 2.99Å |
| 222 | I | 93.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | trans | -89.5 | 112.5 | 178.5 | -63.9 | 167.4 | 0 | 0 | 0 | 109.6 | S192 L195 L196 L215 F218 Q219 Q225 Y228 | S192-I222 WeakPolarHBondContact OG-CA 3.4Å; L195-I222 HydrophobicContact CB-CG1 4.24Å; L195-I222 HydrophobicContact CD1-CG1 4.13Å; L196-I222 HydrophobicContact CD1-CG2 4.14Å; L196-I222 HydrophobicContact CD2-CD1 4.23Å; L196-I222 HydrophobicContact CD2-CG2 4.07Å; L196-I222 HydrophobicContact CG-CG2 4.13Å; L215-I222 HydrophobicContact CD1-CD1 3.83Å; F218-I222 WeakPolarHBondContact O-CG1 3.43Å; F218-I222 PolarHBondContact O-N 3.19Å; Q219-I222 PolarHBondContact O-N 3.05Å; I222-Q225 PolarHBondContact O-NE2 3.08Å; I222-Y228 HydrophobicContact CD1-CD2 4.32Å | ||
| 223 | C | 93.3 | Very high | 95.9 | Very high | 59 Ų | 59 | 48 Ų | 48 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | trans | -80 | -29.1 | 178.3 | 65.1 | 0 | 0 | 0 | 0 | 113 | S192 Q225 | S192-C223 VanDerWaalsContact CB-SG 3.53Å; S192-C223 PolarHBondContact OG-N 3.39Å; S192-C223 PolarHBondContact OG-SG 3.37Å; S192-C223 VanDerWaalsContact OG-SG 3.36Å; C223-Q225 VanDerWaalsContact C-N 3.32Å; C223-Q225 PolarHBondContact O-N 3.46Å | ||
| 224 | D | 94.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | trans | -77.7 | 83.3 | 175 | -175.3 | -1.9 | 0 | 0 | 0 | 111.2 | L196 L226 S227 Y228 | L196-D224 HydrophobicContact CD1-CB 4.05Å; D224-L226 PolarHBondContact O-N 3.31Å; D224-L226 WeakPolarHBondContact OD1-CB 3.44Å; D224-L226 PolarHBondContact OD1-N 3.46Å; D224-S227 PolarHBondContact O-N 2.73Å; D224-S227 PolarHBondContact OD1-N 2.71Å; D224-S227 WeakPolarHBondContact OD2-CB 3.26Å; D224-S227 PolarHBondContact OD2-OG 3.36Å; D224-Y228 WeakPolarHBondContact O-CB 3.4Å; D224-Y228 PolarHBondContact O-N 2.93Å; D224-Y228 VanDerWaalsContact O-N 3.07Å | ||
| 225 | Q | 94.3 | Very high | 95.8 | Very high | 72 Ų | 72 | 46.2 Ų | 46.2 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.2 | -19.6 | 179.1 | -66 | -64.2 | -51.5 | 0 | 0 | 113.4 | I222 C223 L229 | I222-Q225 PolarHBondContact O-NE2 3.08Å; C223-Q225 VanDerWaalsContact C-N 3.32Å; C223-Q225 PolarHBondContact O-N 3.46Å; Q225-L229 VanDerWaalsContact O-CG 3.25Å; Q225-L229 WeakPolarHBondContact O-CG 3.28Å; Q225-L229 PolarHBondContact O-N 3.13Å |
| 226 | L | 96.1 | Very high | 95.9 | Very high | 79 Ų | 79 | 46.5 Ų | 46.5 | 41% | 0.414 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -75.1 | -55.2 | 176.3 | 178.2 | 63.1 | 0 | 0 | 0 | 109.5 | D224 Y228 L229 E230 L252 | D224-L226 PolarHBondContact O-N 3.31Å; D224-L226 WeakPolarHBondContact OD1-CB 3.44Å; D224-L226 PolarHBondContact OD1-N 3.46Å; L226-Y228 PolarHBondContact O-N 3.48Å; L226-L229 PolarHBondContact O-N 3.16Å; L226-L229 VanDerWaalsContact O-N 3.09Å; L226-E230 HydrophobicContact CD1-CG 4.19Å; L226-E230 PolarHBondContact O-N 3.16Å; L226-L252 HydrophobicContact CD1-CD2 4Å |
| 227 | S | 96 | Very high | 95.9 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -36.1 | 178 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | D224 T231 | D224-S227 PolarHBondContact O-N 2.73Å; D224-S227 PolarHBondContact OD1-N 2.71Å; D224-S227 WeakPolarHBondContact OD2-CB 3.26Å; D224-S227 PolarHBondContact OD2-OG 3.36Å; S227-T231 WeakPolarHBondContact O-CB 3.44Å; S227-T231 PolarHBondContact O-N 2.91Å; S227-T231 PolarHBondContact O-OG1 2.91Å |
| 228 | Y | 97.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.2 | -53.1 | 172.2 | 169.7 | -94 | 0 | 0 | 0 | 111.9 | L215 Q219 I222 D224 L226 T231 K232 | L215-Y228 HydrophobicContact CD1-CD2 3.79Å; L215-Y228 HydrophobicContact CD1-CE2 4.34Å; L215-Y228 HydrophobicContact CD2-CD2 4.16Å; L215-Y228 HydrophobicContact CD2-CE2 4.26Å; L215-Y228 HydrophobicContact CG-CD2 3.63Å; L215-Y228 HydrophobicContact CG-CE2 3.7Å; L215-Y228 WeakPolarHBondContact O-CE2 3.5Å; Q219-Y228 HydrophobicContact CB-CD2 4.47Å; Q219-Y228 HydrophobicContact CB-CE2 3.71Å; Q219-Y228 VanDerWaalsContact CD-CZ 3.46Å; Q219-Y228 HydrophobicContact CG-CD2 4.26Å; Q219-Y228 HydrophobicContact CG-CE1 4.02Å; Q219-Y228 HydrophobicContact CG-CE2 3.62Å; Q219-Y228 PolarHBondContact OE1-OH 3.34Å; I222-Y228 HydrophobicContact CD1-CD2 4.32Å; D224-Y228 WeakPolarHBondContact O-CB 3.4Å; D224-Y228 PolarHBondContact O-N 2.93Å; D224-Y228 VanDerWaalsContact O-N 3.07Å; L226-Y228 PolarHBondContact O-N 3.48Å; Y228-T231 PolarHBondContact O-N 2.92Å; Y228-K232 HydrophobicContact CE1-CD 4.12Å; Y228-K232 VanDerWaalsContact O-CB 3.25Å; Y228-K232 WeakPolarHBondContact O-CB 3.46Å; Y228-K232 PolarHBondContact O-N 3.15Å; Y228-K232 WeakPolarHBondContact OH-CD 3.43Å |
| 229 | L | 98 | Very high | 96 | Very high | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -42.1 | -176.6 | -72.3 | 173 | 0 | 0 | 0 | 112 | Q225 L226 K232 A233 V248 L252 K255 | Q225-L229 VanDerWaalsContact O-CG 3.25Å; Q225-L229 WeakPolarHBondContact O-CG 3.28Å; Q225-L229 PolarHBondContact O-N 3.13Å; L226-L229 PolarHBondContact O-N 3.16Å; L226-L229 VanDerWaalsContact O-N 3.09Å; L229-K232 PolarHBondContact O-N 2.94Å; L229-A233 WeakPolarHBondContact O-CB 3.4Å; L229-A233 PolarHBondContact O-N 3.34Å; L229-V248 HydrophobicContact CB-CG1 4.31Å; L229-V248 HydrophobicContact CD2-CG1 4.02Å; L229-V248 WeakPolarHBondContact O-CG1 3.34Å; L229-L252 HydrophobicContact CB-CD2 3.6Å; L229-L252 HydrophobicContact CB-CG 4.06Å; L229-L252 HydrophobicContact CD1-CD2 4.2Å; L229-K255 HydrophobicContact CD1-CD 4.12Å |
| 230 | E | 97.9 | Very high | 96.1 | Very high | 62 Ų | 62 | 42.5 Ų | 42.5 | 29% | 0.29 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 176.5 | -69.7 | -174.3 | 154.9 | 0 | 0 | 111 | L226 K232 A233 D234 L252 Y262 | L226-E230 HydrophobicContact CD1-CG 4.19Å; L226-E230 PolarHBondContact O-N 3.16Å; E230-K232 PolarHBondContact O-N 3.34Å; E230-A233 PolarHBondContact O-N 3.05Å; E230-D234 PolarHBondContact O-N 3.01Å; E230-L252 HydrophobicContact CG-CD1 4.2Å; E230-L252 HydrophobicContact CG-CD2 4.05Å; E230-Y262 HydrophobicContact CG-CE1 4.35Å; E230-Y262 WeakPolarHBondContact OE1-CE1 3.25Å; E230-Y262 PolarHBondContact OE1-OH 2.66Å |
| 231 | T | 97.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 9% | 0.086 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 179.1 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | N199 R203 L215 S227 Y228 D234 L235 | N199-T231 WeakPolarHBondContact OD1-CG2 3.48Å; R203-T231 PolarHBondContact NH1-OG1 3.37Å; L215-T231 HydrophobicContact CD2-CG2 3.93Å; S227-T231 WeakPolarHBondContact O-CB 3.44Å; S227-T231 PolarHBondContact O-N 2.91Å; S227-T231 PolarHBondContact O-OG1 2.91Å; Y228-T231 PolarHBondContact O-N 2.92Å; T231-D234 PolarHBondContact O-N 3.48Å; T231-L235 HydrophobicContact CG2-CD1 3.92Å; T231-L235 HydrophobicContact CG2-CG 4.36Å; T231-L235 WeakPolarHBondContact O-CB 3.45Å; T231-L235 VanDerWaalsContact O-CG 3.31Å; T231-L235 WeakPolarHBondContact O-CG 3.48Å; T231-L235 PolarHBondContact O-N 3.33Å |
| 232 | K | 98.3 | Very high | 96.5 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.3 | 177.7 | 163.3 | 172.4 | 152.8 | 0 | 111.7 | L212 L215 E216 Y228 L229 E230 L235 L236 V248 | L212-K232 HydrophobicContact CD1-CG 4.2Å; L215-K232 HydrophobicContact CD2-CB 3.8Å; E216-K232 WeakPolarHBondContact OE1-CE 3.32Å; E216-K232 IonicContact OE1-NZ 2.76Å; E216-K232 PolarHBondContact OE1-NZ 3.25Å; Y228-K232 HydrophobicContact CE1-CD 4.12Å; Y228-K232 VanDerWaalsContact O-CB 3.25Å; Y228-K232 WeakPolarHBondContact O-CB 3.46Å; Y228-K232 PolarHBondContact O-N 3.15Å; Y228-K232 WeakPolarHBondContact OH-CD 3.43Å; L229-K232 PolarHBondContact O-N 2.94Å; E230-K232 PolarHBondContact O-N 3.34Å; K232-L235 PolarHBondContact O-N 3.29Å; K232-L236 HydrophobicContact CG-CD1 3.78Å; K232-L236 HydrophobicContact CG-CG 4.35Å; K232-L236 WeakPolarHBondContact O-CB 3.31Å; K232-L236 WeakPolarHBondContact O-CD1 3.42Å; K232-L236 VanDerWaalsContact O-CG 3.24Å; K232-L236 WeakPolarHBondContact O-CG 3.23Å; K232-L236 PolarHBondContact O-N 3.49Å; K232-V248 HydrophobicContact CG-CG2 4.36Å |
| 233 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L229 E230 Y237 S245 V248 Y249 L252 | L229-A233 WeakPolarHBondContact O-CB 3.4Å; L229-A233 PolarHBondContact O-N 3.34Å; E230-A233 PolarHBondContact O-N 3.05Å; A233-Y237 WeakPolarHBondContact O-CB 3.32Å; A233-Y237 PolarHBondContact O-N 3.4Å; A233-S245 PolarHBondContact O-OG 3.29Å; A233-V248 HydrophobicContact CB-CB 4.01Å; A233-V248 HydrophobicContact CB-CG1 3.75Å; A233-Y249 HydrophobicContact CB-CD1 4.34Å; A233-Y249 HydrophobicContact CB-CD2 3.99Å; A233-Y249 HydrophobicContact CB-CE1 3.97Å; A233-Y249 HydrophobicContact CB-CE2 3.6Å; A233-Y249 HydrophobicContact CB-CG 4.33Å; A233-L252 HydrophobicContact CB-CD1 4.3Å |
| 234 | D | 97.3 | Very high | 96.7 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.193 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.9 | -80.2 | -18.8 | 0 | 0 | 0 | 112.1 | E230 T231 Y237 Q238 Y249 | E230-D234 PolarHBondContact O-N 3.01Å; T231-D234 PolarHBondContact O-N 3.48Å; D234-Y237 PolarHBondContact O-N 2.99Å; D234-Q238 WeakPolarHBondContact O-CG 3.34Å; D234-Q238 PolarHBondContact O-N 3.02Å; D234-Y249 PolarHBondContact OD1-OH 2.99Å |
| 235 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 178 | -78.1 | 172 | 0 | 0 | 0 | 112.2 | R203 L208 A211 L212 L215 T231 K232 Y237 Q238 L239 | R203-L235 HydrophobicContact CG-CD2 3.95Å; L208-L235 HydrophobicContact CB-CD2 4.25Å; L208-L235 HydrophobicContact CD2-CD2 3.94Å; A211-L235 HydrophobicContact CB-CD1 3.9Å; A211-L235 HydrophobicContact CB-CD2 3.8Å; L212-L235 HydrophobicContact CB-CB 4.45Å; L212-L235 HydrophobicContact CB-CD1 4.29Å; L212-L235 HydrophobicContact CD1-CB 4.33Å; L215-L235 HydrophobicContact CD2-CD1 4.21Å; T231-L235 HydrophobicContact CG2-CD1 3.92Å; T231-L235 HydrophobicContact CG2-CG 4.36Å; T231-L235 WeakPolarHBondContact O-CB 3.45Å; T231-L235 VanDerWaalsContact O-CG 3.31Å; T231-L235 WeakPolarHBondContact O-CG 3.48Å; T231-L235 PolarHBondContact O-N 3.33Å; K232-L235 PolarHBondContact O-N 3.29Å; L235-Y237 VanDerWaalsContact C-N 3.27Å; L235-Y237 PolarHBondContact O-N 3.12Å; L235-Q238 PolarHBondContact O-N 3.45Å; L235-L239 WeakPolarHBondContact O-CB 3.46Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 2.98Å |
| 236 | L | 98 | Very high | 97 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.3 | -40 | 177.3 | -72.6 | 167.4 | 0 | 0 | 0 | 111.7 | L212 K232 G240 K241 D244 V248 | L212-L236 HydrophobicContact CD1-CD2 4.35Å; L212-L236 HydrophobicContact CD1-CG 4.33Å; L212-L236 HydrophobicContact CD2-CD2 3.67Å; L212-L236 HydrophobicContact CD2-CG 4.39Å; K232-L236 HydrophobicContact CG-CD1 3.78Å; K232-L236 HydrophobicContact CG-CG 4.35Å; K232-L236 WeakPolarHBondContact O-CB 3.31Å; K232-L236 WeakPolarHBondContact O-CD1 3.42Å; K232-L236 VanDerWaalsContact O-CG 3.24Å; K232-L236 WeakPolarHBondContact O-CG 3.23Å; K232-L236 PolarHBondContact O-N 3.49Å; L236-G240 PolarHBondContact O-N 3.45Å; L236-K241 HydrophobicContact CB-CB 4.41Å; L236-K241 HydrophobicContact CD2-CB 4.05Å; L236-K241 HydrophobicContact CD2-CD 3.83Å; L236-K241 CarbonylContact O-C 3.53Å; L236-K241 WeakPolarHBondContact O-CA 3.24Å; L236-K241 WeakPolarHBondContact O-CB 3.17Å; L236-K241 PolarHBondContact O-N 3.13Å; L236-D244 HydrophobicContact CD1-CB 3.9Å; L236-D244 HydrophobicContact CD2-CB 4Å; L236-D244 HydrophobicContact CG-CB 4.41Å; L236-V248 HydrophobicContact CD1-CG2 3.9Å |
| 237 | Y | 96.8 | Very high | 97 | Very high | 71 Ų | 71 | 46.2 Ų | 46.2 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -48.2 | 176.8 | -178.8 | -100.6 | 0 | 0 | 0 | 111.8 | A233 D234 L235 L239 G240 E268 C269 | A233-Y237 WeakPolarHBondContact O-CB 3.32Å; A233-Y237 PolarHBondContact O-N 3.4Å; D234-Y237 PolarHBondContact O-N 2.99Å; L235-Y237 VanDerWaalsContact C-N 3.27Å; L235-Y237 PolarHBondContact O-N 3.12Å; Y237-L239 VanDerWaalsContact C-N 3.28Å; Y237-L239 PolarHBondContact O-N 3.28Å; Y237-G240 PolarHBondContact O-N 3.06Å; Y237-E268 HydrophobicContact CE2-CB 4.01Å; Y237-C269 HydrophobicContact CD2-CB 4.49Å; Y237-C269 VanDerWaalsContact CD2-SG 3.57Å |
| 238 | Q | 96.3 | Very high | 97.1 | Very high | 107 Ų | 107 | 45.4 Ų | 45.4 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.5 | -30.9 | -179.5 | -67.9 | 177.4 | 10.7 | 0 | 0 | 112.8 | L208 D234 L235 G240 | L208-Q238 HydrophobicContact CD1-CB 3.62Å; L208-Q238 VanDerWaalsContact CD2-OE1 3.3Å; D234-Q238 WeakPolarHBondContact O-CG 3.34Å; D234-Q238 PolarHBondContact O-N 3.02Å; L235-Q238 PolarHBondContact O-N 3.45Å; Q238-G240 PolarHBondContact O-N 3.46Å |
| 239 | L | 96.6 | Very high | 97.1 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 23% | 0.225 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 1 | 173.1 | -69.1 | 173.6 | 0 | 0 | 0 | 113.9 | L208 D209 L212 L235 Y237 K241 | L208-L239 HydrophobicContact CB-CD2 3.6Å; L208-L239 HydrophobicContact CB-CG 4.03Å; D209-L239 VanDerWaalsContact OD1-CD2 3.23Å; D209-L239 WeakPolarHBondContact OD1-CD2 3.39Å; L212-L239 HydrophobicContact CB-CD1 4.14Å; L212-L239 HydrophobicContact CD2-CD1 3.72Å; L235-L239 WeakPolarHBondContact O-CB 3.46Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 2.98Å; Y237-L239 VanDerWaalsContact C-N 3.28Å; Y237-L239 PolarHBondContact O-N 3.28Å; L239-K241 VanDerWaalsContact C-N 3.27Å; L239-K241 PolarHBondContact O-N 2.99Å |
| 240 | G | 95.1 | Very high | 97.1 | Very high | 50 Ų | 50 | 49 Ų | 49 | 52% | 0.515 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 1.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L236 Y237 Q238 K242 | L236-G240 PolarHBondContact O-N 3.45Å; Y237-G240 PolarHBondContact O-N 3.06Å; Q238-G240 PolarHBondContact O-N 3.46Å; G240-K242 PolarHBondContact O-N 3.4Å |
| 241 | K | 96.4 | Very high | 97 | Very high | 95 Ų | 95 | 52 Ų | 52 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | trans | -78.9 | 64.4 | 174.8 | -62 | -179.5 | -177.7 | 175 | 0 | 110.7 | L236 L239 E243 D244 S245 | L236-K241 HydrophobicContact CB-CB 4.41Å; L236-K241 HydrophobicContact CD2-CB 4.05Å; L236-K241 HydrophobicContact CD2-CD 3.83Å; L236-K241 CarbonylContact O-C 3.53Å; L236-K241 WeakPolarHBondContact O-CA 3.24Å; L236-K241 WeakPolarHBondContact O-CB 3.17Å; L236-K241 PolarHBondContact O-N 3.13Å; L239-K241 VanDerWaalsContact C-N 3.27Å; L239-K241 PolarHBondContact O-N 2.99Å; K241-E243 PolarHBondContact O-N 2.91Å; K241-D244 HydrophobicContact CB-CB 4.33Å; K241-D244 PolarHBondContact O-N 3.05Å; K241-S245 PolarHBondContact O-N 2.9Å | ||
| 242 | K | 96 | Very high | 97 | Very high | 98 Ų | 98 | 51.4 Ų | 51.4 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | -170.5 | -68 | -175.6 | -177.2 | -177 | 0 | 113.7 | G240 S245 A246 C269 | G240-K242 PolarHBondContact O-N 3.4Å; K242-S245 PolarHBondContact O-N 3.04Å; K242-A246 WeakPolarHBondContact O-CB 3.39Å; K242-A246 PolarHBondContact O-N 3.24Å; K242-C269 WeakPolarHBondContact CB-O 3.38Å |
| 243 | E | 95.6 | Very high | 96.9 | Very high | 172 Ų | 172 | 49.7 Ų | 49.7 | 80% | 0.804 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.7 | -45.2 | 179.6 | -64.6 | -174.4 | 170.1 | 0 | 0 | 111.7 | K241 S245 A246 S247 | K241-E243 PolarHBondContact O-N 2.91Å; E243-S245 VanDerWaalsContact C-N 3.35Å; E243-S245 PolarHBondContact O-N 3.32Å; E243-A246 WeakPolarHBondContact O-CB 3.45Å; E243-A246 PolarHBondContact O-N 3.24Å; E243-S247 PolarHBondContact O-N 3.2Å |
| 244 | D | 96.5 | Very high | 96.8 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.7 | -66 | -26.6 | 0 | 0 | 0 | 110.7 | L236 K241 A246 S247 V248 | L236-D244 HydrophobicContact CD1-CB 3.9Å; L236-D244 HydrophobicContact CD2-CB 4Å; L236-D244 HydrophobicContact CG-CB 4.41Å; K241-D244 HydrophobicContact CB-CB 4.33Å; K241-D244 PolarHBondContact O-N 3.05Å; D244-A246 VanDerWaalsContact C-N 3.35Å; D244-A246 PolarHBondContact O-N 3.19Å; D244-S247 WeakPolarHBondContact O-CB 3.35Å; D244-S247 PolarHBondContact O-N 3.38Å; D244-S247 VanDerWaalsContact O-N 3.14Å; D244-S247 PolarHBondContact O-OG 3.49Å; D244-V248 WeakPolarHBondContact O-CG2 3.48Å; D244-V248 PolarHBondContact O-N 3.11Å; D244-V248 VanDerWaalsContact O-N 3.13Å |
| 245 | S | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 176 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | A233 K241 K242 E243 S247 V248 Y249 C269 | A233-S245 PolarHBondContact O-OG 3.29Å; K241-S245 PolarHBondContact O-N 2.9Å; K242-S245 PolarHBondContact O-N 3.04Å; E243-S245 VanDerWaalsContact C-N 3.35Å; E243-S245 PolarHBondContact O-N 3.32Å; S245-S247 VanDerWaalsContact C-N 3.28Å; S245-S247 PolarHBondContact O-N 2.98Å; S245-V248 PolarHBondContact O-N 2.98Å; S245-Y249 WeakPolarHBondContact O-CD2 3.44Å; S245-Y249 PolarHBondContact O-N 3.34Å; S245-Y249 WeakPolarHBondContact OG-CE2 3.37Å; S245-C269 PolarHBondContact OG-SG 2.96Å; S245-C269 VanDerWaalsContact OG-SG 3.35Å |
| 246 | A | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K242 E243 D244 V248 Y249 R250 L266 C269 L270 | K242-A246 WeakPolarHBondContact O-CB 3.39Å; K242-A246 PolarHBondContact O-N 3.24Å; E243-A246 WeakPolarHBondContact O-CB 3.45Å; E243-A246 PolarHBondContact O-N 3.24Å; D244-A246 VanDerWaalsContact C-N 3.35Å; D244-A246 PolarHBondContact O-N 3.19Å; A246-V248 VanDerWaalsContact C-N 3.33Å; A246-V248 PolarHBondContact O-N 3.08Å; A246-Y249 PolarHBondContact O-N 3.26Å; A246-R250 WeakPolarHBondContact O-CG 3.25Å; A246-R250 PolarHBondContact O-N 3.38Å; A246-L266 HydrophobicContact CB-CD1 3.63Å; A246-C269 HydrophobicContact CB-CB 3.89Å; A246-L270 HydrophobicContact CB-CD2 4.19Å |
| 247 | S | 97.2 | Very high | 96.4 | Very high | 49 Ų | 49 | 62 Ų | 62 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 175.3 | 87.9 | 0 | 0 | 0 | 0 | 112.2 | E243 D244 S245 R250 K251 | E243-S247 PolarHBondContact O-N 3.2Å; D244-S247 WeakPolarHBondContact O-CB 3.35Å; D244-S247 PolarHBondContact O-N 3.38Å; D244-S247 VanDerWaalsContact O-N 3.14Å; D244-S247 PolarHBondContact O-OG 3.49Å; S245-S247 VanDerWaalsContact C-N 3.28Å; S245-S247 PolarHBondContact O-N 2.98Å; S247-R250 PolarHBondContact O-N 2.94Å; S247-K251 WeakPolarHBondContact O-CG 3.45Å; S247-K251 PolarHBondContact O-N 3.26Å |
| 248 | V | 97.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.6 | -40.6 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | L229 K232 A233 L236 D244 S245 A246 R250 K251 L252 | L229-V248 HydrophobicContact CB-CG1 4.31Å; L229-V248 HydrophobicContact CD2-CG1 4.02Å; L229-V248 WeakPolarHBondContact O-CG1 3.34Å; K232-V248 HydrophobicContact CG-CG2 4.36Å; A233-V248 HydrophobicContact CB-CB 4.01Å; A233-V248 HydrophobicContact CB-CG1 3.75Å; L236-V248 HydrophobicContact CD1-CG2 3.9Å; D244-V248 WeakPolarHBondContact O-CG2 3.48Å; D244-V248 PolarHBondContact O-N 3.11Å; D244-V248 VanDerWaalsContact O-N 3.13Å; S245-V248 PolarHBondContact O-N 2.98Å; A246-V248 VanDerWaalsContact C-N 3.33Å; A246-V248 PolarHBondContact O-N 3.08Å; V248-R250 VanDerWaalsContact C-N 3.32Å; V248-R250 PolarHBondContact O-N 2.92Å; V248-K251 WeakPolarHBondContact O-CA 3.4Å; V248-K251 WeakPolarHBondContact O-CB 3.46Å; V248-K251 PolarHBondContact O-N 3.39Å; V248-L252 PolarHBondContact O-N 3.13Å |
| 249 | Y | 98 | Very high | 96.4 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 173.8 | -81.2 | -61.2 | 0 | 0 | 0 | 113 | A233 D234 S245 A246 K251 L252 L253 Y262 R265 | A233-Y249 HydrophobicContact CB-CD1 4.34Å; A233-Y249 HydrophobicContact CB-CD2 3.99Å; A233-Y249 HydrophobicContact CB-CE1 3.97Å; A233-Y249 HydrophobicContact CB-CE2 3.6Å; A233-Y249 HydrophobicContact CB-CG 4.33Å; D234-Y249 PolarHBondContact OD1-OH 2.99Å; S245-Y249 WeakPolarHBondContact O-CD2 3.44Å; S245-Y249 PolarHBondContact O-N 3.34Å; S245-Y249 WeakPolarHBondContact OG-CE2 3.37Å; A246-Y249 PolarHBondContact O-N 3.26Å; Y249-K251 VanDerWaalsContact C-N 3.32Å; Y249-K251 PolarHBondContact O-N 3.2Å; Y249-L252 HydrophobicContact CD1-CD1 3.77Å; Y249-L252 HydrophobicContact CE1-CD1 3.98Å; Y249-L252 PolarHBondContact O-N 3.11Å; Y249-L253 WeakPolarHBondContact O-CG 3.47Å; Y249-L253 PolarHBondContact O-N 3.06Å; Y249-Y262 HydrophobicContact CD1-CD1 4.31Å; Y249-Y262 HydrophobicContact CE1-CD1 4.26Å; Y249-R265 HydrophobicContact CD1-CB 3.95Å; Y249-R265 HydrophobicContact CD2-CB 4.04Å; Y249-R265 HydrophobicContact CE1-CB 3.48Å; Y249-R265 VanDerWaalsContact CE1-CB 3.48Å; Y249-R265 HydrophobicContact CE1-CG 3.86Å; Y249-R265 HydrophobicContact CE2-CB 3.57Å; Y249-R265 HydrophobicContact CE2-CG 4.35Å; Y249-R265 HydrophobicContact CG-CB 4.23Å; Y249-R265 WeakPolarHBondContact OH-CG 3.22Å |
| 250 | R | 96.5 | Very high | 96.3 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 35% | 0.347 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 170.5 | -74 | -175.6 | 177.6 | 94.3 | -6.9 | 112.1 | A246 S247 V248 L253 A254 L266 E290 | A246-R250 WeakPolarHBondContact O-CG 3.25Å; A246-R250 PolarHBondContact O-N 3.38Å; S247-R250 PolarHBondContact O-N 2.94Å; V248-R250 VanDerWaalsContact C-N 3.32Å; V248-R250 PolarHBondContact O-N 2.92Å; R250-L253 PolarHBondContact O-N 3.39Å; R250-A254 PolarHBondContact O-N 2.98Å; R250-L266 HydrophobicContact CG-CD1 4.45Å; R250-L266 HydrophobicContact CG-CD2 4.32Å; R250-E290 IonicContact NE-OE1 3.37Å; R250-E290 IonicContact NH2-OE2 2.72Å |
| 251 | K | 96.5 | Very high | 96.4 | Very high | 126 Ų | 126 | 60.6 Ų | 60.6 | 55% | 0.548 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 173.6 | -67.1 | 172.7 | -176.6 | 173.3 | 0 | 112.1 | S247 V248 Y249 A254 K255 | S247-K251 WeakPolarHBondContact O-CG 3.45Å; S247-K251 PolarHBondContact O-N 3.26Å; V248-K251 WeakPolarHBondContact O-CA 3.4Å; V248-K251 WeakPolarHBondContact O-CB 3.46Å; V248-K251 PolarHBondContact O-N 3.39Å; Y249-K251 VanDerWaalsContact C-N 3.32Å; Y249-K251 PolarHBondContact O-N 3.2Å; K251-A254 PolarHBondContact O-N 3.37Å; K251-K255 PolarHBondContact O-N 2.88Å |
| 252 | L | 97.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 175 | -76 | 168.4 | 0 | 0 | 0 | 111.7 | L226 L229 E230 A233 V248 Y249 A254 K255 N256 Y262 | L226-L252 HydrophobicContact CD1-CD2 4Å; L229-L252 HydrophobicContact CB-CD2 3.6Å; L229-L252 HydrophobicContact CB-CG 4.06Å; L229-L252 HydrophobicContact CD1-CD2 4.2Å; E230-L252 HydrophobicContact CG-CD1 4.2Å; E230-L252 HydrophobicContact CG-CD2 4.05Å; A233-L252 HydrophobicContact CB-CD1 4.3Å; V248-L252 PolarHBondContact O-N 3.13Å; Y249-L252 HydrophobicContact CD1-CD1 3.77Å; Y249-L252 HydrophobicContact CE1-CD1 3.98Å; Y249-L252 PolarHBondContact O-N 3.11Å; L252-A254 VanDerWaalsContact C-N 3.34Å; L252-A254 PolarHBondContact O-N 3.25Å; L252-K255 WeakPolarHBondContact O-CB 3.45Å; L252-K255 PolarHBondContact O-N 2.85Å; L252-K255 VanDerWaalsContact O-N 3.08Å; L252-N256 PolarHBondContact O-N 3.31Å; L252-Y262 HydrophobicContact CB-CD2 3.9Å; L252-Y262 HydrophobicContact CB-CE2 3.95Å; L252-Y262 HydrophobicContact CB-CG 4.23Å; L252-Y262 HydrophobicContact CD1-CD1 4.45Å; L252-Y262 HydrophobicContact CD1-CE1 4.32Å |
| 253 | L | 96.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 174.8 | -76.4 | 169.6 | 0 | 0 | 0 | 112.7 | Y249 R250 K255 N256 S257 Y262 Y263 L266 I291 | Y249-L253 WeakPolarHBondContact O-CG 3.47Å; Y249-L253 PolarHBondContact O-N 3.06Å; R250-L253 PolarHBondContact O-N 3.39Å; L253-K255 PolarHBondContact O-N 2.7Å; L253-N256 CarbonylContact O-C 3.32Å; L253-N256 PolarHBondContact O-N 3.15Å; L253-S257 VanDerWaalsContact O-CA 3.28Å; L253-S257 WeakPolarHBondContact O-CA 3.49Å; L253-S257 PolarHBondContact O-N 3.13Å; L253-Y262 HydrophobicContact CD2-CD2 4.33Å; L253-Y263 HydrophobicContact CD1-CD1 4.41Å; L253-Y263 HydrophobicContact CD1-CE1 4.37Å; L253-Y263 HydrophobicContact CD2-CD1 4.31Å; L253-Y263 HydrophobicContact CD2-CD2 3.76Å; L253-Y263 HydrophobicContact CD2-CE1 4.02Å; L253-Y263 HydrophobicContact CD2-CE2 3.42Å; L253-Y263 VanDerWaalsContact CD2-CE2 3.42Å; L253-Y263 HydrophobicContact CD2-CG 4.2Å; L253-L266 HydrophobicContact CD1-CD2 3.91Å; L253-I291 HydrophobicContact CD1-CD1 3.96Å |
| 254 | A | 95 | Very high | 96.4 | Very high | 71 Ų | 71 | 49.5 Ų | 49.5 | 59% | 0.587 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.5 | -29 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R250 K251 L252 | R250-A254 PolarHBondContact O-N 2.98Å; K251-A254 PolarHBondContact O-N 3.37Å; L252-A254 VanDerWaalsContact C-N 3.34Å; L252-A254 PolarHBondContact O-N 3.25Å |
| 255 | K | 94.6 | Very high | 96.4 | Very high | 126 Ų | 126 | 50.1 Ų | 50.1 | 55% | 0.548 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -79.5 | -42.5 | 173.6 | -69.4 | -169 | 173.9 | -155.9 | 0 | 112.8 | L229 K251 L252 L253 | L229-K255 HydrophobicContact CD1-CD 4.12Å; K251-K255 PolarHBondContact O-N 2.88Å; L252-K255 WeakPolarHBondContact O-CB 3.45Å; L252-K255 PolarHBondContact O-N 2.85Å; L252-K255 VanDerWaalsContact O-N 3.08Å; L253-K255 PolarHBondContact O-N 2.7Å |
| 256 | N | 95.8 | Very high | 96.3 | Very high | 75 Ų | 75 | 50.1 Ų | 50.1 | 40% | 0.401 | 26% | 0.255 | S | S | . | . | trans | -142.6 | 96.3 | 178.1 | -177.3 | -1.3 | 0 | 0 | 0 | 110.5 | L252 L253 E258 Y262 | L252-N256 PolarHBondContact O-N 3.31Å; L253-N256 CarbonylContact O-C 3.32Å; L253-N256 PolarHBondContact O-N 3.15Å; N256-E258 PolarHBondContact O-N 2.81Å; N256-E258 PolarHBondContact OD1-N 3.24Å; N256-E258 VanDerWaalsContact OD1-N 3.13Å; N256-Y262 HydrophobicContact CB-CE2 4.4Å | ||
| 257 | S | 95.7 | Very high | 96.2 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -10 | -177.1 | 66 | 0 | 0 | 0 | 0 | 113.7 | L253 Y263 S298 | L253-S257 VanDerWaalsContact O-CA 3.28Å; L253-S257 WeakPolarHBondContact O-CA 3.49Å; L253-S257 PolarHBondContact O-N 3.13Å; S257-Y263 WeakPolarHBondContact O-CE2 3.45Å; S257-Y263 PolarHBondContact O-OH 3.37Å; S257-S298 PolarHBondContact O-OG 3.28Å; S257-S298 VanDerWaalsContact O-OG 3.11Å |
| 258 | E | 95.6 | Very high | 96.1 | Very high | 84 Ų | 84 | 51 Ų | 51 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -4.8 | -178.3 | -62.4 | -58.3 | 145.2 | 0 | 0 | 112.8 | N256 V260 S298 L299 A300 | N256-E258 PolarHBondContact O-N 2.81Å; N256-E258 PolarHBondContact OD1-N 3.24Å; N256-E258 VanDerWaalsContact OD1-N 3.13Å; E258-V260 PolarHBondContact O-N 3.13Å; E258-V260 VanDerWaalsContact O-N 3.14Å; E258-S298 VanDerWaalsContact OE1-CA 3.28Å; E258-S298 WeakPolarHBondContact OE1-CA 3.38Å; E258-L299 PolarHBondContact OE1-N 2.96Å; E258-A300 PolarHBondContact OE2-N 3.35Å |
| 259 | N | 96.3 | Very high | 96 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | trans | -78.1 | 103.2 | 178.8 | -167.5 | -10.8 | 0 | 0 | 0 | 111.5 | S261 Y262 Y263 | N259-S261 PolarHBondContact ND2-OG 3.07Å; N259-S261 PolarHBondContact O-N 2.86Å; N259-S261 PolarHBondContact OD1-N 3.44Å; N259-S261 VanDerWaalsContact OD1-N 3.13Å; N259-S261 PolarHBondContact OD1-OG 3.15Å; N259-Y262 HydrophobicContact CB-CD2 3.58Å; N259-Y262 HydrophobicContact CB-CE2 3.6Å; N259-Y262 HydrophobicContact CB-CG 4.13Å; N259-Y262 WeakPolarHBondContact ND2-CE1 3.42Å; N259-Y262 WeakPolarHBondContact ND2-CE2 3.44Å; N259-Y262 PolarHBondContact ND2-OH 3.2Å; N259-Y262 PolarHBondContact O-N 3.33Å; N259-Y263 WeakPolarHBondContact O-CD2 3.36Å | ||
| 260 | V | 95 | Very high | 95.8 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.8 | -29.4 | -179.5 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | E258 Y262 Y263 K264 L304 | E258-V260 PolarHBondContact O-N 3.13Å; E258-V260 VanDerWaalsContact O-N 3.14Å; V260-Y262 VanDerWaalsContact C-N 3.31Å; V260-Y262 PolarHBondContact O-N 2.97Å; V260-Y263 PolarHBondContact O-N 3Å; V260-K264 PolarHBondContact O-N 3.29Å; V260-L304 HydrophobicContact CG1-CD1 4.21Å; V260-L304 HydrophobicContact CG1-CD2 3.95Å; V260-L304 HydrophobicContact CG2-CD2 4.43Å |
| 261 | S | 96.3 | Very high | 95.5 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.4 | -35.6 | -179.2 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | N259 Y263 K264 R265 | N259-S261 PolarHBondContact ND2-OG 3.07Å; N259-S261 PolarHBondContact O-N 2.86Å; N259-S261 PolarHBondContact OD1-N 3.44Å; N259-S261 VanDerWaalsContact OD1-N 3.13Å; N259-S261 PolarHBondContact OD1-OG 3.15Å; S261-Y263 VanDerWaalsContact C-N 3.35Å; S261-Y263 PolarHBondContact O-N 3.24Å; S261-K264 PolarHBondContact O-N 3.03Å; S261-R265 WeakPolarHBondContact O-CG 3.49Å; S261-R265 PolarHBondContact O-N 3.33Å |
| 262 | Y | 97.2 | Very high | 95.3 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.2 | -35.9 | -179.5 | -58.1 | -22.8 | 0 | 0 | 0 | 112.2 | E230 Y249 L252 L253 N256 N259 V260 R265 L266 | E230-Y262 HydrophobicContact CG-CE1 4.35Å; E230-Y262 WeakPolarHBondContact OE1-CE1 3.25Å; E230-Y262 PolarHBondContact OE1-OH 2.66Å; Y249-Y262 HydrophobicContact CD1-CD1 4.31Å; Y249-Y262 HydrophobicContact CE1-CD1 4.26Å; L252-Y262 HydrophobicContact CB-CD2 3.9Å; L252-Y262 HydrophobicContact CB-CE2 3.95Å; L252-Y262 HydrophobicContact CB-CG 4.23Å; L252-Y262 HydrophobicContact CD1-CD1 4.45Å; L252-Y262 HydrophobicContact CD1-CE1 4.32Å; L253-Y262 HydrophobicContact CD2-CD2 4.33Å; N256-Y262 HydrophobicContact CB-CE2 4.4Å; N259-Y262 HydrophobicContact CB-CD2 3.58Å; N259-Y262 HydrophobicContact CB-CE2 3.6Å; N259-Y262 HydrophobicContact CB-CG 4.13Å; N259-Y262 WeakPolarHBondContact ND2-CE1 3.42Å; N259-Y262 WeakPolarHBondContact ND2-CE2 3.44Å; N259-Y262 PolarHBondContact ND2-OH 3.2Å; N259-Y262 PolarHBondContact O-N 3.33Å; V260-Y262 VanDerWaalsContact C-N 3.31Å; V260-Y262 PolarHBondContact O-N 2.97Å; Y262-R265 PolarHBondContact O-N 3.39Å; Y262-L266 WeakPolarHBondContact O-CB 3.33Å; Y262-L266 PolarHBondContact O-N 3.05Å |
| 263 | Y | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 173 | -66 | -88.5 | 0 | 0 | 0 | 111.2 | L253 S257 N259 V260 S261 R265 L266 E267 Y288 I291 S298 A300 A301 L304 | L253-Y263 HydrophobicContact CD1-CD1 4.41Å; L253-Y263 HydrophobicContact CD1-CE1 4.37Å; L253-Y263 HydrophobicContact CD2-CD1 4.31Å; L253-Y263 HydrophobicContact CD2-CD2 3.76Å; L253-Y263 HydrophobicContact CD2-CE1 4.02Å; L253-Y263 HydrophobicContact CD2-CE2 3.42Å; L253-Y263 VanDerWaalsContact CD2-CE2 3.42Å; L253-Y263 HydrophobicContact CD2-CG 4.2Å; S257-Y263 WeakPolarHBondContact O-CE2 3.45Å; S257-Y263 PolarHBondContact O-OH 3.37Å; N259-Y263 WeakPolarHBondContact O-CD2 3.36Å; V260-Y263 PolarHBondContact O-N 3Å; S261-Y263 VanDerWaalsContact C-N 3.35Å; S261-Y263 PolarHBondContact O-N 3.24Å; Y263-R265 VanDerWaalsContact C-N 3.31Å; Y263-R265 PolarHBondContact O-N 3.24Å; Y263-L266 PolarHBondContact O-N 2.85Å; Y263-L266 VanDerWaalsContact O-N 3.15Å; Y263-E267 WeakPolarHBondContact O-CG 3.45Å; Y263-E267 PolarHBondContact O-N 2.96Å; Y263-Y288 AromaticContact CD1-CD1 3.84Å; Y263-Y288 HydrophobicContact CD1-CD1 3.84Å; Y263-Y288 AromaticContact CD1-CE1 3.32Å; Y263-Y288 HydrophobicContact CD1-CE1 3.32Å; Y263-Y288 HydrophobicContact CE1-CD1 4.1Å; Y263-Y288 AromaticContact CE1-CE1 3.97Å; Y263-Y288 HydrophobicContact CE1-CE1 3.97Å; Y263-Y288 AromaticContact CG-CE1 3.92Å; Y263-Y288 HydrophobicContact CG-CE1 3.92Å; Y263-I291 HydrophobicContact CD1-CD1 4.19Å; Y263-I291 HydrophobicContact CE1-CD1 4.03Å; Y263-I291 HydrophobicContact CE1-CG2 3.96Å; Y263-S298 PolarHBondContact OH-OG 3.26Å; Y263-A300 HydrophobicContact CE2-CB 3.8Å; Y263-A301 HydrophobicContact CE1-CB 4.09Å; Y263-L304 HydrophobicContact CD1-CD1 4.32Å; Y263-L304 HydrophobicContact CD2-CD1 3.73Å; Y263-L304 HydrophobicContact CE2-CD1 4.3Å; Y263-L304 HydrophobicContact CG-CD1 3.73Å |
| 264 | K | 95.3 | Very high | 94.1 | Very high | 120 Ų | 120 | 53.3 Ų | 53.3 | 52% | 0.522 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 178.1 | -68 | -178.7 | 176.6 | -174.6 | 0 | 111.9 | V260 S261 E267 E268 | V260-K264 PolarHBondContact O-N 3.29Å; S261-K264 PolarHBondContact O-N 3.03Å; K264-E267 WeakPolarHBondContact O-CB 3.4Å; K264-E267 PolarHBondContact O-N 3.45Å; K264-E268 WeakPolarHBondContact O-CG 3.44Å; K264-E268 PolarHBondContact O-N 2.98Å |
| 265 | R | 96.1 | Very high | 93.4 | Very high | 98 Ų | 98 | 52.1 Ų | 52.1 | 37% | 0.37 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 176.8 | -68.5 | -60.7 | -160.5 | -164.4 | 2.5 | 112.8 | Y249 S261 Y262 Y263 E267 E268 C269 | Y249-R265 HydrophobicContact CD1-CB 3.95Å; Y249-R265 HydrophobicContact CD2-CB 4.04Å; Y249-R265 HydrophobicContact CE1-CB 3.48Å; Y249-R265 VanDerWaalsContact CE1-CB 3.48Å; Y249-R265 HydrophobicContact CE1-CG 3.86Å; Y249-R265 HydrophobicContact CE2-CB 3.57Å; Y249-R265 HydrophobicContact CE2-CG 4.35Å; Y249-R265 HydrophobicContact CG-CB 4.23Å; Y249-R265 WeakPolarHBondContact OH-CG 3.22Å; S261-R265 WeakPolarHBondContact O-CG 3.49Å; S261-R265 PolarHBondContact O-N 3.33Å; Y262-R265 PolarHBondContact O-N 3.39Å; Y263-R265 VanDerWaalsContact C-N 3.31Å; Y263-R265 PolarHBondContact O-N 3.24Å; R265-E267 VanDerWaalsContact C-N 3.35Å; R265-E268 WeakPolarHBondContact CD-OE2 3.39Å; R265-E268 IonicContact CZ-OE2 2.7Å; R265-E268 IonicContact NE-OE2 3.83Å; R265-E268 IonicContact NH1-OE1 2.69Å; R265-E268 IonicContact NH1-OE2 3.51Å; R265-E268 PolarHBondContact NH1-OE2 2.96Å; R265-E268 WeakPolarHBondContact O-CB 3.48Å; R265-E268 PolarHBondContact O-N 2.96Å; R265-C269 PolarHBondContact O-N 3.11Å; R265-C269 PolarHBondContact O-SG 3.12Å |
| 266 | L | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 174.8 | -175.4 | 61.4 | 0 | 0 | 0 | 111.6 | A246 R250 L253 Y262 Y263 E268 C269 L270 M287 I291 | A246-L266 HydrophobicContact CB-CD1 3.63Å; R250-L266 HydrophobicContact CG-CD1 4.45Å; R250-L266 HydrophobicContact CG-CD2 4.32Å; L253-L266 HydrophobicContact CD1-CD2 3.91Å; Y262-L266 WeakPolarHBondContact O-CB 3.33Å; Y262-L266 PolarHBondContact O-N 3.05Å; Y263-L266 PolarHBondContact O-N 2.85Å; Y263-L266 VanDerWaalsContact O-N 3.15Å; L266-E268 VanDerWaalsContact C-N 3.33Å; L266-E268 PolarHBondContact O-N 3.08Å; L266-C269 WeakPolarHBondContact O-CB 3.48Å; L266-C269 PolarHBondContact O-N 2.9Å; L266-L270 HydrophobicContact CD1-CD1 4.33Å; L266-L270 HydrophobicContact CD1-CG 4.38Å; L266-L270 HydrophobicContact CG-CD1 4.22Å; L266-L270 WeakPolarHBondContact O-CG 3.32Å; L266-L270 PolarHBondContact O-N 3.05Å; L266-M287 HydrophobicContact CB-SD 4.3Å; L266-M287 HydrophobicContact CD2-CG 4.06Å; L266-M287 HydrophobicContact CD2-SD 3.67Å; L266-M287 HydrophobicContact CG-SD 3.66Å; L266-I291 HydrophobicContact CD2-CD1 3.82Å |
| 267 | E | 95.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 173.3 | -66.3 | 171.5 | 167.5 | 0 | 0 | 112.1 | Y263 K264 R265 C269 L270 G271 V272 A273 R284 M287 Y288 | Y263-E267 WeakPolarHBondContact O-CG 3.45Å; Y263-E267 PolarHBondContact O-N 2.96Å; K264-E267 WeakPolarHBondContact O-CB 3.4Å; K264-E267 PolarHBondContact O-N 3.45Å; R265-E267 VanDerWaalsContact C-N 3.35Å; E267-C269 VanDerWaalsContact C-N 3.34Å; E267-L270 PolarHBondContact O-N 3.11Å; E267-G271 PolarHBondContact O-N 3.06Å; E267-G271 VanDerWaalsContact O-N 3.08Å; E267-V272 HydrophobicContact CB-CG2 4.06Å; E267-V272 HydrophobicContact CG-CG2 4.29Å; E267-V272 PolarHBondContact O-N 2.46Å; E267-A273 HydrophobicContact CB-CB 3.89Å; E267-A273 PolarHBondContact O-N 3.27Å; E267-R284 HydrophobicContact CG-CG 4.44Å; E267-R284 IonicContact OE1-CZ 3.58Å; E267-R284 VanDerWaalsContact OE1-CZ 3.22Å; E267-R284 IonicContact OE1-NE 2.73Å; E267-R284 PolarHBondContact OE1-NE 2.66Å; E267-R284 IonicContact OE1-NH2 3.35Å; E267-R284 PolarHBondContact OE1-NH2 3.07Å; E267-R284 IonicContact OE2-CZ 2.57Å; E267-R284 IonicContact OE2-NE 3.23Å; E267-R284 IonicContact OE2-NH2 2.67Å; E267-R284 PolarHBondContact OE2-NH2 3.38Å; E267-M287 HydrophobicContact CG-CE 3.76Å; E267-M287 HydrophobicContact CG-SD 4.35Å; E267-Y288 WeakPolarHBondContact OE1-CE2 3.38Å; E267-Y288 VanDerWaalsContact OE1-CZ 3.24Å; E267-Y288 PolarHBondContact OE1-OH 3.1Å |
| 268 | E | 95 | Very high | 91.9 | Very high | 60 Ų | 60 | 58.8 Ų | 58.8 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.3 | -73 | 169.9 | -173.6 | 0 | 0 | 111.4 | Y237 K264 R265 L266 G271 A273 | Y237-E268 HydrophobicContact CE2-CB 4.01Å; K264-E268 WeakPolarHBondContact O-CG 3.44Å; K264-E268 PolarHBondContact O-N 2.98Å; R265-E268 WeakPolarHBondContact CD-OE2 3.39Å; R265-E268 IonicContact CZ-OE2 2.7Å; R265-E268 IonicContact NE-OE2 3.83Å; R265-E268 IonicContact NH1-OE1 2.69Å; R265-E268 IonicContact NH1-OE2 3.51Å; R265-E268 PolarHBondContact NH1-OE2 2.96Å; R265-E268 WeakPolarHBondContact O-CB 3.48Å; R265-E268 PolarHBondContact O-N 2.96Å; L266-E268 VanDerWaalsContact C-N 3.33Å; L266-E268 PolarHBondContact O-N 3.08Å; E268-G271 PolarHBondContact O-N 3.1Å; E268-A273 HydrophobicContact CG-CB 4.06Å |
| 269 | C | 95.1 | Very high | 91.5 | Very high | 7 Ų | 7 | 62.3 Ų | 62.3 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 177 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | Y237 K242 S245 A246 R265 L266 E267 G271 | Y237-C269 HydrophobicContact CD2-CB 4.49Å; Y237-C269 VanDerWaalsContact CD2-SG 3.57Å; K242-C269 WeakPolarHBondContact CB-O 3.38Å; S245-C269 PolarHBondContact OG-SG 2.96Å; S245-C269 VanDerWaalsContact OG-SG 3.35Å; A246-C269 HydrophobicContact CB-CB 3.89Å; R265-C269 PolarHBondContact O-N 3.11Å; R265-C269 PolarHBondContact O-SG 3.12Å; L266-C269 WeakPolarHBondContact O-CB 3.48Å; L266-C269 PolarHBondContact O-N 2.9Å; E267-C269 VanDerWaalsContact C-N 3.34Å; C269-G271 PolarHBondContact O-N 3.04Å |
| 270 | L | 93.5 | Very high | 91 | Very high | 60 Ų | 60 | 60.3 Ų | 60.3 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -79.1 | -5.4 | -179.3 | -63.3 | 177.3 | 0 | 0 | 0 | 113.5 | A246 L266 E267 V272 M287 | A246-L270 HydrophobicContact CB-CD2 4.19Å; L266-L270 HydrophobicContact CD1-CD1 4.33Å; L266-L270 HydrophobicContact CD1-CG 4.38Å; L266-L270 HydrophobicContact CG-CD1 4.22Å; L266-L270 WeakPolarHBondContact O-CG 3.32Å; L266-L270 PolarHBondContact O-N 3.05Å; E267-L270 PolarHBondContact O-N 3.11Å; L270-V272 VanDerWaalsContact C-N 3.28Å; L270-V272 HydrophobicContact CB-CG1 4.44Å; L270-V272 HydrophobicContact CB-CG2 4.12Å; L270-V272 PolarHBondContact O-N 3.44Å; L270-M287 HydrophobicContact CD1-CB 4.4Å; L270-M287 HydrophobicContact CD1-CG 3.87Å; L270-M287 HydrophobicContact CD1-SD 3.65Å |
| 271 | G | 91.3 | Very high | 90.8 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 29.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E267 E268 C269 C275 | E267-G271 PolarHBondContact O-N 3.06Å; E267-G271 VanDerWaalsContact O-N 3.08Å; E268-G271 PolarHBondContact O-N 3.1Å; C269-G271 PolarHBondContact O-N 3.04Å; G271-C275 PolarHBondContact O-SG 3.13Å; G271-C275 VanDerWaalsContact O-SG 3.39Å |
| 272 | V | 91.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | trans | -110.2 | -2 | 177.4 | -61 | 0 | 0 | 0 | 0 | 112.5 | E267 L270 N274 R283 R284 | E267-V272 HydrophobicContact CB-CG2 4.06Å; E267-V272 HydrophobicContact CG-CG2 4.29Å; E267-V272 PolarHBondContact O-N 2.46Å; L270-V272 VanDerWaalsContact C-N 3.28Å; L270-V272 HydrophobicContact CB-CG1 4.44Å; L270-V272 HydrophobicContact CB-CG2 4.12Å; L270-V272 PolarHBondContact O-N 3.44Å; V272-N274 PolarHBondContact O-N 3.07Å; V272-R283 HydrophobicContact CG1-CB 4.03Å; V272-R284 HydrophobicContact CB-CB 4.09Å; V272-R284 HydrophobicContact CG2-CB 4.09Å; V272-R284 HydrophobicContact CG2-CG 4.1Å | ||
| 273 | A | 86.5 | Confident | 90.3 | Very high | 26 Ų | 26 | 65.2 Ų | 65.2 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 130 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E267 E268 C275 | E267-A273 HydrophobicContact CB-CB 3.89Å; E267-A273 PolarHBondContact O-N 3.27Å; E268-A273 HydrophobicContact CG-CB 4.06Å; A273-C275 PolarHBondContact O-N 3.05Å |
| 274 | N | 81.7 | Confident | 90.2 | Very high | 147 Ų | 147 | 67.1 Ų | 67.1 | 79% | 0.786 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 16 | 175.2 | -53.8 | -36.3 | 0 | 0 | 0 | 115.8 | V272 | V272-N274 PolarHBondContact O-N 3.07Š|
| 275 | C | 81.1 | Confident | 90.1 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 31% | 0.311 | 33% | 0.333 | S | S | . | . | trans | -76 | 141.4 | 174.8 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | G271 A273 A280 | G271-C275 PolarHBondContact O-SG 3.13Å; G271-C275 VanDerWaalsContact O-SG 3.39Å; A273-C275 PolarHBondContact O-N 3.05Å; C275-A280 HydrophobicContact CB-CB 3.31Å | ||
| 276 | T | 81.8 | Confident | 90 | Very high | 134 Ų | 134 | 64 Ų | 64 | 82% | 0.822 | 35% | 0.345 | S | S | * | . | trans | -102.8 | -9.9 | 179.4 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 277 | S | 86.8 | Confident | 90 | Very high | 61 Ų | 61 | 64.2 Ų | 64.2 | 43% | 0.427 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -68.3 | 138.9 | 176.6 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | E279 A280 I281 | S277-E279 PolarHBondContact O-N 2.96Å; S277-A280 PolarHBondContact O-N 3.12Å; S277-A280 WeakPolarHBondContact OG-CB 3.35Å; S277-A280 PolarHBondContact OG-N 3.05Å; S277-I281 WeakPolarHBondContact O-CG1 3.4Å; S277-I281 PolarHBondContact O-N 3.18Å |
| 278 | E | 85.5 | Confident | 90 | Very high | 173 Ų | 173 | 64.1 Ų | 64.1 | 81% | 0.808 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -55.2 | -39.8 | 179.7 | -66.9 | -174.3 | 166.9 | 0 | 0 | 111.7 | A280 I281 A282 | E278-A280 PolarHBondContact O-N 2.85Å; E278-I281 PolarHBondContact O-N 3.06Å; E278-A282 WeakPolarHBondContact O-CB 3.47Å; E278-A282 PolarHBondContact O-N 3.04Å |
| 279 | E | 87.3 | Confident | 90 | Very high | 158 Ų | 158 | 64.2 Ų | 64.2 | 74% | 0.738 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 176.2 | -64.2 | 178.9 | 178.3 | 0 | 0 | 113 | S277 A282 R283 | S277-E279 PolarHBondContact O-N 2.96Å; E279-A282 PolarHBondContact O-N 3.33Å; E279-R283 WeakPolarHBondContact O-CG 3.3Å; E279-R283 PolarHBondContact O-N 3.17Å |
| 280 | A | 87.5 | Confident | 90 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 2% | 0.017 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.7 | -36.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C275 S277 E278 R283 R284 | C275-A280 HydrophobicContact CB-CB 3.31Å; S277-A280 PolarHBondContact O-N 3.12Å; S277-A280 WeakPolarHBondContact OG-CB 3.35Å; S277-A280 PolarHBondContact OG-N 3.05Å; E278-A280 PolarHBondContact O-N 2.85Å; A280-R283 PolarHBondContact O-N 3.07Å; A280-R284 VanDerWaalsContact O-CB 3.32Å; A280-R284 WeakPolarHBondContact O-CB 3.16Å; A280-R284 PolarHBondContact O-N 3.39Å |
| 281 | I | 89.2 | Confident | 90 | Very high | 40 Ų | 40 | 65.4 Ų | 65.4 | 21% | 0.205 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 172.8 | -65.7 | 169.9 | 0 | 0 | 0 | 109.9 | S277 E278 R284 I285 F308 | S277-I281 WeakPolarHBondContact O-CG1 3.4Å; S277-I281 PolarHBondContact O-N 3.18Å; E278-I281 PolarHBondContact O-N 3.06Å; I281-R284 WeakPolarHBondContact O-CB 3.36Å; I281-R284 PolarHBondContact O-N 3.2Å; I281-I285 HydrophobicContact CG2-CD1 3.85Å; I281-I285 HydrophobicContact CG2-CG1 4.45Å; I281-I285 VanDerWaalsContact O-CG1 3.28Å; I281-I285 WeakPolarHBondContact O-CG1 3.38Å; I281-I285 PolarHBondContact O-N 3.49Å; I281-F308 HydrophobicContact CG2-CD2 4.44Å |
| 282 | A | 91.9 | Very high | 90.2 | Very high | 56 Ų | 56 | 64.5 Ų | 64.5 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E278 E279 R284 I285 E286 | E278-A282 WeakPolarHBondContact O-CB 3.47Å; E278-A282 PolarHBondContact O-N 3.04Å; E279-A282 PolarHBondContact O-N 3.33Å; A282-R284 VanDerWaalsContact C-N 3.3Å; A282-R284 PolarHBondContact O-N 3.36Å; A282-I285 PolarHBondContact O-N 3.1Å; A282-E286 PolarHBondContact O-N 3.39Å |
| 283 | R | 92.6 | Very high | 90.3 | Very high | 133 Ų | 133 | 72.9 Ų | 72.9 | 50% | 0.502 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 175 | -73.2 | -169.3 | -64.1 | 147.2 | 0.9 | 112.8 | V272 E279 A280 E286 M287 | V272-R283 HydrophobicContact CG1-CB 4.03Å; E279-R283 WeakPolarHBondContact O-CG 3.3Å; E279-R283 PolarHBondContact O-N 3.17Å; A280-R283 PolarHBondContact O-N 3.07Å; R283-E286 PolarHBondContact O-N 3.3Å; R283-M287 PolarHBondContact O-N 3.22Å |
| 284 | R | 94 | Very high | 90.7 | Very high | 40 Ų | 40 | 76.7 Ų | 76.7 | 15% | 0.151 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 175 | -169 | 179.9 | -178.9 | -176.8 | 4.1 | 110.6 | E267 V272 A280 I281 A282 M287 Y288 F308 | E267-R284 HydrophobicContact CG-CG 4.44Å; E267-R284 IonicContact OE1-CZ 3.58Å; E267-R284 VanDerWaalsContact OE1-CZ 3.22Å; E267-R284 IonicContact OE1-NE 2.73Å; E267-R284 PolarHBondContact OE1-NE 2.66Å; E267-R284 IonicContact OE1-NH2 3.35Å; E267-R284 PolarHBondContact OE1-NH2 3.07Å; E267-R284 IonicContact OE2-CZ 2.57Å; E267-R284 IonicContact OE2-NE 3.23Å; E267-R284 IonicContact OE2-NH2 2.67Å; E267-R284 PolarHBondContact OE2-NH2 3.38Å; V272-R284 HydrophobicContact CB-CB 4.09Å; V272-R284 HydrophobicContact CG2-CB 4.09Å; V272-R284 HydrophobicContact CG2-CG 4.1Å; A280-R284 VanDerWaalsContact O-CB 3.32Å; A280-R284 WeakPolarHBondContact O-CB 3.16Å; A280-R284 PolarHBondContact O-N 3.39Å; I281-R284 WeakPolarHBondContact O-CB 3.36Å; I281-R284 PolarHBondContact O-N 3.2Å; A282-R284 VanDerWaalsContact C-N 3.3Å; A282-R284 PolarHBondContact O-N 3.36Å; R284-M287 WeakPolarHBondContact O-CB 3.26Å; R284-M287 PolarHBondContact O-N 3.45Å; R284-Y288 HydrophobicContact CG-CD2 4.38Å; R284-Y288 HydrophobicContact CG-CE2 4.08Å; R284-Y288 WeakPolarHBondContact O-CD2 3.27Å; R284-Y288 PolarHBondContact O-N 3.31Å; R284-F308 HydrophobicContact CB-CE2 4.2Å; R284-F308 HydrophobicContact CG-CE2 3.72Å; R284-F308 HydrophobicContact CG-CZ 3.72Å; R284-F308 VanDerWaalsContact CZ-CD1 3.47Å; R284-F308 VanDerWaalsContact CZ-CE1 3.4Å; R284-F308 VanDerWaalsContact NE-CE1 3.35Å |
| 285 | I | 93.4 | Very high | 91.2 | Very high | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.092 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 177 | -67.2 | 165.2 | 0 | 0 | 0 | 110.5 | I281 A282 M287 Y288 D289 F308 V309 R317 | I281-I285 HydrophobicContact CG2-CD1 3.85Å; I281-I285 HydrophobicContact CG2-CG1 4.45Å; I281-I285 VanDerWaalsContact O-CG1 3.28Å; I281-I285 WeakPolarHBondContact O-CG1 3.38Å; I281-I285 PolarHBondContact O-N 3.49Å; A282-I285 PolarHBondContact O-N 3.1Å; I285-M287 VanDerWaalsContact C-N 3.31Å; I285-M287 PolarHBondContact O-N 2.79Å; I285-Y288 PolarHBondContact O-N 3.39Å; I285-D289 WeakPolarHBondContact CG2-OD2 3.44Å; I285-D289 PolarHBondContact O-N 2.99Å; I285-F308 HydrophobicContact CG1-CD2 4.24Å; I285-F308 HydrophobicContact CG1-CE2 3.81Å; I285-V309 HydrophobicContact CD1-CB 4.48Å; I285-V309 HydrophobicContact CD1-CG1 3.89Å; I285-V309 HydrophobicContact CG1-CG1 4.04Å; I285-R317 VanDerWaalsContact CG2-NH2 3.27Å |
| 286 | E | 94.2 | Very high | 91.6 | Very high | 133 Ų | 133 | 74.7 Ų | 74.7 | 62% | 0.621 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57.7 | -42.3 | 178.3 | -173.5 | 179.3 | -166.2 | 0 | 0 | 112.1 | A282 R283 Y288 D289 E290 | A282-E286 PolarHBondContact O-N 3.39Å; R283-E286 PolarHBondContact O-N 3.3Å; E286-Y288 VanDerWaalsContact C-N 3.34Å; E286-Y288 PolarHBondContact O-N 2.93Å; E286-D289 PolarHBondContact O-N 3.33Å; E286-E290 WeakPolarHBondContact O-CB 3.2Å; E286-E290 PolarHBondContact O-N 3.36Å |
| 287 | M | 94.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 79.4 Ų | 79.4 | 3% | 0.03 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.8 | -46.5 | 173.9 | 179.3 | -158.2 | 71.1 | 0 | 0 | 111.8 | L266 E267 L270 R283 R284 I285 I291 | L266-M287 HydrophobicContact CB-SD 4.3Å; L266-M287 HydrophobicContact CD2-CG 4.06Å; L266-M287 HydrophobicContact CD2-SD 3.67Å; L266-M287 HydrophobicContact CG-SD 3.66Å; E267-M287 HydrophobicContact CG-CE 3.76Å; E267-M287 HydrophobicContact CG-SD 4.35Å; L270-M287 HydrophobicContact CD1-CB 4.4Å; L270-M287 HydrophobicContact CD1-CG 3.87Å; L270-M287 HydrophobicContact CD1-SD 3.65Å; R283-M287 PolarHBondContact O-N 3.22Å; R284-M287 WeakPolarHBondContact O-CB 3.26Å; R284-M287 PolarHBondContact O-N 3.45Å; I285-M287 VanDerWaalsContact C-N 3.31Å; I285-M287 PolarHBondContact O-N 2.79Å; M287-I291 HydrophobicContact CG-CD1 4.04Å; M287-I291 WeakPolarHBondContact O-CD1 3.5Å; M287-I291 VanDerWaalsContact O-CG1 3.24Å; M287-I291 WeakPolarHBondContact O-CG1 3.44Å; M287-I291 PolarHBondContact O-N 2.99Å; M287-I291 VanDerWaalsContact O-N 3.1Å |
| 288 | Y | 95.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 76.6 Ų | 76.6 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 178.2 | -78.9 | -82.6 | 0 | 0 | 0 | 112.4 | Y263 E267 R284 I285 E286 I291 A292 A301 L304 P305 F308 | Y263-Y288 AromaticContact CD1-CD1 3.84Å; Y263-Y288 HydrophobicContact CD1-CD1 3.84Å; Y263-Y288 AromaticContact CD1-CE1 3.32Å; Y263-Y288 HydrophobicContact CD1-CE1 3.32Å; Y263-Y288 HydrophobicContact CE1-CD1 4.1Å; Y263-Y288 AromaticContact CE1-CE1 3.97Å; Y263-Y288 HydrophobicContact CE1-CE1 3.97Å; Y263-Y288 AromaticContact CG-CE1 3.92Å; Y263-Y288 HydrophobicContact CG-CE1 3.92Å; E267-Y288 WeakPolarHBondContact OE1-CE2 3.38Å; E267-Y288 VanDerWaalsContact OE1-CZ 3.24Å; E267-Y288 PolarHBondContact OE1-OH 3.1Å; R284-Y288 HydrophobicContact CG-CD2 4.38Å; R284-Y288 HydrophobicContact CG-CE2 4.08Å; R284-Y288 WeakPolarHBondContact O-CD2 3.27Å; R284-Y288 PolarHBondContact O-N 3.31Å; I285-Y288 PolarHBondContact O-N 3.39Å; E286-Y288 VanDerWaalsContact C-N 3.34Å; E286-Y288 PolarHBondContact O-N 2.93Å; Y288-I291 PolarHBondContact O-N 3.49Å; Y288-A292 VanDerWaalsContact O-CB 3.28Å; Y288-A292 WeakPolarHBondContact O-CB 3.4Å; Y288-A292 PolarHBondContact O-N 3.35Å; Y288-A301 WeakPolarHBondContact CD1-O 3.2Å; Y288-L304 HydrophobicContact CD1-CB 4.39Å; Y288-L304 HydrophobicContact CE1-CB 3.6Å; Y288-L304 HydrophobicContact CE1-CD1 3.85Å; Y288-L304 HydrophobicContact CE1-CG 4.36Å; Y288-P305 HydrophobicContact CD1-CG 3.79Å; Y288-P305 HydrophobicContact CD2-CG 3.89Å; Y288-P305 HydrophobicContact CE1-CG 4.5Å; Y288-P305 HydrophobicContact CG-CG 3.44Å; Y288-P305 VanDerWaalsContact CG-CG 3.44Å; Y288-F308 AromaticContact CD2-CZ 3.73Å; Y288-F308 HydrophobicContact CD2-CZ 3.73Å; Y288-F308 HydrophobicContact CE2-CE1 4.04Å; Y288-F308 AromaticContact CE2-CZ 3.47Å; Y288-F308 HydrophobicContact CE2-CZ 3.47Å; Y288-F308 VanDerWaalsContact CE2-CZ 3.47Å |
| 289 | D | 94.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 71.4 Ų | 71.4 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 177.4 | -71.9 | -19.9 | 0 | 0 | 0 | 111.4 | I285 E286 A292 K293 R317 | I285-D289 WeakPolarHBondContact CG2-OD2 3.44Å; I285-D289 PolarHBondContact O-N 2.99Å; E286-D289 PolarHBondContact O-N 3.33Å; D289-A292 PolarHBondContact O-N 3.38Å; D289-K293 VanDerWaalsContact O-CB 3.31Å; D289-K293 WeakPolarHBondContact O-CB 3.22Å; D289-K293 PolarHBondContact O-N 2.94Å; D289-R317 IonicContact OD1-CZ 2.99Å; D289-R317 IonicContact OD1-NH1 3.31Å; D289-R317 PolarHBondContact OD1-NH1 2.88Å; D289-R317 IonicContact OD1-NH2 3.01Å; D289-R317 IonicContact OD2-CZ 3.77Å; D289-R317 IonicContact OD2-NH1 3.05Å; D289-R317 PolarHBondContact OD2-NH1 3.18Å; D289-R317 IonicContact OD2-NH2 3.6Å; D289-R317 PolarHBondContact OD2-NH2 2.87Å |
| 290 | E | 95.2 | Very high | 92.7 | Very high | 83 Ų | 83 | 64.1 Ų | 64.1 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.3 | -49.2 | 171.7 | -170.1 | -156.3 | 151.2 | 0 | 0 | 110.7 | R250 E286 K293 N294 | R250-E290 IonicContact NE-OE1 3.37Å; R250-E290 IonicContact NH2-OE2 2.72Å; E286-E290 WeakPolarHBondContact O-CB 3.2Å; E286-E290 PolarHBondContact O-N 3.36Å; E290-K293 PolarHBondContact O-N 3.12Å; E290-N294 WeakPolarHBondContact O-CB 3.38Å; E290-N294 VanDerWaalsContact O-CG 3.29Å; E290-N294 PolarHBondContact O-N 2.82Å; E290-N294 PolarHBondContact O-ND2 3.29Å |
| 291 | I | 94.6 | Very high | 93 | Very high | 9 Ų | 9 | 64.1 Ų | 64.1 | 5% | 0.046 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -42.9 | -179.7 | -64 | 161.8 | 0 | 0 | 0 | 111 | L253 Y263 L266 M287 Y288 K293 N294 L295 A301 | L253-I291 HydrophobicContact CD1-CD1 3.96Å; Y263-I291 HydrophobicContact CD1-CD1 4.19Å; Y263-I291 HydrophobicContact CE1-CD1 4.03Å; Y263-I291 HydrophobicContact CE1-CG2 3.96Å; L266-I291 HydrophobicContact CD2-CD1 3.82Å; M287-I291 HydrophobicContact CG-CD1 4.04Å; M287-I291 WeakPolarHBondContact O-CD1 3.5Å; M287-I291 VanDerWaalsContact O-CG1 3.24Å; M287-I291 WeakPolarHBondContact O-CG1 3.44Å; M287-I291 PolarHBondContact O-N 2.99Å; M287-I291 VanDerWaalsContact O-N 3.1Å; Y288-I291 PolarHBondContact O-N 3.49Å; I291-K293 VanDerWaalsContact C-N 3.29Å; I291-K293 PolarHBondContact O-N 2.82Å; I291-N294 PolarHBondContact O-N 3.43Å; I291-L295 HydrophobicContact CG2-CD1 4.08Å; I291-L295 WeakPolarHBondContact O-CA 3.38Å; I291-L295 WeakPolarHBondContact O-CB 3.41Å; I291-L295 PolarHBondContact O-N 3.46Å; I291-A301 HydrophobicContact CB-CB 4.5Å; I291-A301 HydrophobicContact CG2-CB 4.01Å |
| 292 | A | 93.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y288 D289 L295 P296 A301 | Y288-A292 VanDerWaalsContact O-CB 3.28Å; Y288-A292 WeakPolarHBondContact O-CB 3.4Å; Y288-A292 PolarHBondContact O-N 3.35Å; D289-A292 PolarHBondContact O-N 3.38Å; A292-L295 CarbonylContact O-C 3.3Å; A292-P296 VanDerWaalsContact O-CA 3.3Å; A292-P296 WeakPolarHBondContact O-CA 3.49Å; A292-A301 HydrophobicContact CB-CB 4.03Å |
| 293 | K | 94.7 | Very high | 93.3 | Very high | 179 Ų | 179 | 65 Ų | 65 | 78% | 0.778 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.5 | -44 | 174.3 | -173.9 | 179.8 | -179.7 | -178.7 | 0 | 111.9 | D289 E290 I291 | D289-K293 VanDerWaalsContact O-CB 3.31Å; D289-K293 WeakPolarHBondContact O-CB 3.22Å; D289-K293 PolarHBondContact O-N 2.94Å; E290-K293 PolarHBondContact O-N 3.12Å; I291-K293 VanDerWaalsContact C-N 3.29Å; I291-K293 PolarHBondContact O-N 2.82Å |
| 294 | N | 94.3 | Very high | 93.4 | Very high | 105 Ų | 105 | 60 Ų | 60 | 56% | 0.561 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -73.9 | -30.7 | 179.9 | -68.8 | -23.3 | 0 | 0 | 0 | 112.6 | E290 I291 | E290-N294 WeakPolarHBondContact O-CB 3.38Å; E290-N294 VanDerWaalsContact O-CG 3.29Å; E290-N294 PolarHBondContact O-N 2.82Å; E290-N294 PolarHBondContact O-ND2 3.29Å; I291-N294 PolarHBondContact O-N 3.43Å |
| 295 | L | 92.9 | Very high | 93.4 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | trans | -127.7 | 70.6 | -176.2 | -58.2 | 174 | 0 | 0 | 0 | 110.2 | I291 A292 R297 S298 | I291-L295 HydrophobicContact CG2-CD1 4.08Å; I291-L295 WeakPolarHBondContact O-CA 3.38Å; I291-L295 WeakPolarHBondContact O-CB 3.41Å; I291-L295 PolarHBondContact O-N 3.46Å; A292-L295 CarbonylContact O-C 3.3Å; L295-R297 PolarHBondContact O-N 2.89Å; L295-S298 WeakPolarHBondContact O-CB 3.44Å; L295-S298 PolarHBondContact O-N 3.11Å | ||
| 296 | P | 88.6 | Confident | 93.5 | Very high | 103 Ų | 103 | 57.3 Ų | 57.3 | 67% | 0.669 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -13.7 | -172.5 | 25.7 | -35.8 | 0 | 0 | 0 | 114.6 | A292 S298 | A292-P296 VanDerWaalsContact O-CA 3.3Å; A292-P296 WeakPolarHBondContact O-CA 3.49Å; P296-S298 VanDerWaalsContact C-N 3.35Å |
| 297 | R | 87.3 | Confident | 93.4 | Very high | 233 Ų | 233 | 53.4 Ų | 53.4 | 88% | 0.879 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -13.8 | 173.1 | -67.8 | -174.7 | 177.8 | 178.5 | 0 | 113.1 | L295 L299 | L295-R297 PolarHBondContact O-N 2.89Å; R297-L299 PolarHBondContact O-N 3.44Å |
| 298 | S | 92.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -70.5 | 107.9 | -178.3 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | S257 E258 Y263 L295 P296 A301 | S257-S298 PolarHBondContact O-OG 3.28Å; S257-S298 VanDerWaalsContact O-OG 3.11Å; E258-S298 VanDerWaalsContact OE1-CA 3.28Å; E258-S298 WeakPolarHBondContact OE1-CA 3.38Å; Y263-S298 PolarHBondContact OH-OG 3.26Å; L295-S298 WeakPolarHBondContact O-CB 3.44Å; L295-S298 PolarHBondContact O-N 3.11Å; P296-S298 VanDerWaalsContact C-N 3.35Å; S298-A301 WeakPolarHBondContact OG-CB 3.32Å; S298-A301 PolarHBondContact OG-N 3.49Å | ||
| 299 | L | 91.8 | Very high | 93.1 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 34% | 0.335 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73.9 | -36.8 | 173.7 | -68.1 | 179.8 | 0 | 0 | 0 | 110.6 | E258 R297 A301 S302 R303 F336 | E258-L299 PolarHBondContact OE1-N 2.96Å; R297-L299 PolarHBondContact O-N 3.44Å; L299-A301 VanDerWaalsContact C-N 3.35Å; L299-A301 PolarHBondContact O-N 3.13Å; L299-S302 PolarHBondContact O-N 3.16Å; L299-R303 WeakPolarHBondContact O-CB 3.49Å; L299-R303 PolarHBondContact O-N 2.93Å; L299-F336 HydrophobicContact CB-CE2 4.09Å; L299-F336 HydrophobicContact CB-CZ 3.99Å; L299-F336 HydrophobicContact CD1-CE2 4.35Å |
| 300 | A | 93.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E258 Y263 S302 R303 L304 | E258-A300 PolarHBondContact OE2-N 3.35Å; Y263-A300 HydrophobicContact CE2-CB 3.8Å; A300-S302 VanDerWaalsContact C-N 3.28Å; A300-S302 PolarHBondContact O-N 2.95Å; A300-R303 PolarHBondContact O-N 2.74Å; A300-L304 HydrophobicContact CB-CD1 4.31Å; A300-L304 WeakPolarHBondContact O-CB 3.38Å; A300-L304 VanDerWaalsContact O-CG 3.27Å; A300-L304 WeakPolarHBondContact O-CG 3.05Å; A300-L304 PolarHBondContact O-N 3.33Å |
| 301 | A | 94.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -37.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y263 Y288 I291 A292 S298 L299 P305 | Y263-A301 HydrophobicContact CE1-CB 4.09Å; Y288-A301 WeakPolarHBondContact CD1-O 3.2Å; I291-A301 HydrophobicContact CB-CB 4.5Å; I291-A301 HydrophobicContact CG2-CB 4.01Å; A292-A301 HydrophobicContact CB-CB 4.03Å; S298-A301 WeakPolarHBondContact OG-CB 3.32Å; S298-A301 PolarHBondContact OG-N 3.49Å; L299-A301 VanDerWaalsContact C-N 3.35Å; L299-A301 PolarHBondContact O-N 3.13Å; A301-P305 WeakPolarHBondContact O-CD 3.48Å; A301-P305 WeakPolarHBondContact O-CG 3.2Å |
| 302 | S | 93.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 61.2 Ų | 61.2 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -84.3 | -29.5 | 178.5 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | L299 A300 | L299-S302 PolarHBondContact O-N 3.16Å; A300-S302 VanDerWaalsContact C-N 3.28Å; A300-S302 PolarHBondContact O-N 2.95Å |
| 303 | R | 94.3 | Very high | 92.3 | Very high | 69 Ų | 69 | 62.4 Ų | 62.4 | 26% | 0.26 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -78 | -47.8 | -176.6 | 173.9 | -173.6 | 155 | 177.6 | 2.8 | 113.2 | L299 A300 P305 L306 F336 F339 | L299-R303 WeakPolarHBondContact O-CB 3.49Å; L299-R303 PolarHBondContact O-N 2.93Å; A300-R303 PolarHBondContact O-N 2.74Å; R303-P305 VanDerWaalsContact C-CD 3.47Å; R303-L306 VanDerWaalsContact O-CB 3.31Å; R303-L306 WeakPolarHBondContact O-CB 2.98Å; R303-L306 WeakPolarHBondContact O-CG 3.43Å; R303-L306 PolarHBondContact O-N 2.98Å; R303-F336 HydrophobicContact CB-CE1 3.8Å; R303-F336 HydrophobicContact CB-CZ 3.64Å; R303-F336 HydrophobicContact CG-CD1 4.3Å; R303-F336 HydrophobicContact CG-CE1 3.7Å; R303-F336 HydrophobicContact CG-CE2 4.49Å; R303-F336 HydrophobicContact CG-CZ 3.81Å; R303-F336 PolarHBondContact NE-O 3.41Å; R303-F336 PolarHBondContact NH2-O 3.17Å; R303-F339 HydrophobicContact CG-CE1 3.73Å; R303-F339 HydrophobicContact CG-CZ 3.96Å; R303-F339 VanDerWaalsContact NE-CE1 3.28Å |
| 304 | L | 94.1 | Very high | 92.3 | Very high | 29 Ų | 29 | 54 Ų | 54 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -59.8 | -38.5 | -171.4 | -68.4 | 170.8 | 0 | 0 | 0 | 113.5 | V260 Y263 Y288 A300 L306 A307 | V260-L304 HydrophobicContact CG1-CD1 4.21Å; V260-L304 HydrophobicContact CG1-CD2 3.95Å; V260-L304 HydrophobicContact CG2-CD2 4.43Å; Y263-L304 HydrophobicContact CD1-CD1 4.32Å; Y263-L304 HydrophobicContact CD2-CD1 3.73Å; Y263-L304 HydrophobicContact CE2-CD1 4.3Å; Y263-L304 HydrophobicContact CG-CD1 3.73Å; Y288-L304 HydrophobicContact CD1-CB 4.39Å; Y288-L304 HydrophobicContact CE1-CB 3.6Å; Y288-L304 HydrophobicContact CE1-CD1 3.85Å; Y288-L304 HydrophobicContact CE1-CG 4.36Å; A300-L304 HydrophobicContact CB-CD1 4.31Å; A300-L304 WeakPolarHBondContact O-CB 3.38Å; A300-L304 VanDerWaalsContact O-CG 3.27Å; A300-L304 WeakPolarHBondContact O-CG 3.05Å; A300-L304 PolarHBondContact O-N 3.33Å; L304-L306 PolarHBondContact O-N 3.24Å; L304-L306 VanDerWaalsContact O-N 3.14Å; L304-A307 WeakPolarHBondContact O-CB 3.44Å; L304-A307 PolarHBondContact O-N 2.98Å |
| 305 | P | 94.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -55.6 | -29.9 | 175.7 | -29.8 | 37.6 | 0 | 0 | 0 | 115.1 | Y288 A301 R303 A307 F308 V309 | Y288-P305 HydrophobicContact CD1-CG 3.79Å; Y288-P305 HydrophobicContact CD2-CG 3.89Å; Y288-P305 HydrophobicContact CE1-CG 4.5Å; Y288-P305 HydrophobicContact CG-CG 3.44Å; Y288-P305 VanDerWaalsContact CG-CG 3.44Å; A301-P305 WeakPolarHBondContact O-CD 3.48Å; A301-P305 WeakPolarHBondContact O-CG 3.2Å; R303-P305 VanDerWaalsContact C-CD 3.47Å; P305-A307 PolarHBondContact O-N 3.4Å; P305-F308 HydrophobicContact CB-CE2 4.41Å; P305-F308 HydrophobicContact CB-CZ 4.17Å; P305-F308 HydrophobicContact CG-CZ 4.49Å; P305-F308 PolarHBondContact O-N 3.02Å; P305-V309 HydrophobicContact CB-CG1 3.99Å; P305-V309 WeakPolarHBondContact O-CG1 3.35Å; P305-V309 PolarHBondContact O-N 2.93Å |
| 306 | L | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -57.9 | -21.9 | -178.9 | -60.1 | 175.6 | 0 | 0 | 0 | 112.7 | R303 L304 F308 F314 R317 L318 L321 F337 F339 L340 K346 | R303-L306 VanDerWaalsContact O-CB 3.31Å; R303-L306 WeakPolarHBondContact O-CB 2.98Å; R303-L306 WeakPolarHBondContact O-CG 3.43Å; R303-L306 PolarHBondContact O-N 2.98Å; L304-L306 PolarHBondContact O-N 3.24Å; L304-L306 VanDerWaalsContact O-N 3.14Å; L306-F308 VanDerWaalsContact C-N 3.31Å; L306-F308 PolarHBondContact O-N 3.25Å; L306-F314 HydrophobicContact CB-CE2 4.22Å; L306-F314 HydrophobicContact CD2-CD2 4.4Å; L306-F314 HydrophobicContact CD2-CE2 4.43Å; L306-R317 HydrophobicContact CD2-CB 3.87Å; L306-L318 HydrophobicContact CD1-CD1 3.99Å; L306-L318 HydrophobicContact CD2-CB 4.24Å; L306-L321 HydrophobicContact CD1-CD1 4.17Å; L306-F337 HydrophobicContact CD1-CD1 4.01Å; L306-F337 HydrophobicContact CD1-CE1 3.63Å; L306-F339 HydrophobicContact CB-CZ 4.39Å; L306-L340 HydrophobicContact CB-CD1 4.07Å; L306-L340 HydrophobicContact CB-CD2 3.84Å; L306-L340 HydrophobicContact CD1-CD1 4.26Å; L306-L340 WeakPolarHBondContact O-CD2 3.37Å; L306-K346 PolarHBondContact O-NZ 3.39Å |
| 307 | A | 92.6 | Very high | 92.8 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 41% | 0.413 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -64.4 | -30.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L304 P305 F339 K346 | L304-A307 WeakPolarHBondContact O-CB 3.44Å; L304-A307 PolarHBondContact O-N 2.98Å; P305-A307 PolarHBondContact O-N 3.4Å; A307-F339 HydrophobicContact CB-CD2 4.39Å; A307-F339 HydrophobicContact CB-CE2 3.86Å; A307-K346 PolarHBondContact O-NZ 3.46Å |
| 308 | F | 90.7 | Very high | 93.2 | Very high | 34 Ų | 34 | 40.5 Ų | 40.5 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 2 | -167.5 | 56.6 | -99.9 | 0 | 0 | 0 | 114.9 | I281 R284 I285 Y288 P305 L306 | I281-F308 HydrophobicContact CG2-CD2 4.44Å; R284-F308 HydrophobicContact CB-CE2 4.2Å; R284-F308 HydrophobicContact CG-CE2 3.72Å; R284-F308 HydrophobicContact CG-CZ 3.72Å; R284-F308 VanDerWaalsContact CZ-CD1 3.47Å; R284-F308 VanDerWaalsContact CZ-CE1 3.4Å; R284-F308 VanDerWaalsContact NE-CE1 3.35Å; I285-F308 HydrophobicContact CG1-CD2 4.24Å; I285-F308 HydrophobicContact CG1-CE2 3.81Å; Y288-F308 AromaticContact CD2-CZ 3.73Å; Y288-F308 HydrophobicContact CD2-CZ 3.73Å; Y288-F308 HydrophobicContact CE2-CE1 4.04Å; Y288-F308 AromaticContact CE2-CZ 3.47Å; Y288-F308 HydrophobicContact CE2-CZ 3.47Å; Y288-F308 VanDerWaalsContact CE2-CZ 3.47Å; P305-F308 HydrophobicContact CB-CE2 4.41Å; P305-F308 HydrophobicContact CB-CZ 4.17Å; P305-F308 HydrophobicContact CG-CZ 4.49Å; P305-F308 PolarHBondContact O-N 3.02Å; L306-F308 VanDerWaalsContact C-N 3.31Å; L306-F308 PolarHBondContact O-N 3.25Å |
| 309 | V | 92.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -62.1 | 145.1 | 170.7 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | I285 P305 F314 | I285-V309 HydrophobicContact CD1-CB 4.48Å; I285-V309 HydrophobicContact CD1-CG1 3.89Å; I285-V309 HydrophobicContact CG1-CG1 4.04Å; P305-V309 HydrophobicContact CB-CG1 3.99Å; P305-V309 WeakPolarHBondContact O-CG1 3.35Å; P305-V309 PolarHBondContact O-N 2.93Å; V309-F314 HydrophobicContact CG2-CB 4.18Å; V309-F314 HydrophobicContact CG2-CD2 3.92Å |
| 310 | P | 90.1 | Very high | 93.4 | Very high | 62 Ų | 62 | 41.9 Ų | 41.9 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | trans | -57.9 | 151.4 | 172.5 | -22.8 | 32.7 | 0 | 0 | 0 | 112 | S312 S313 F314 | P310-S312 PolarHBondContact O-N 3.37Å; P310-S313 CarbonylContact O-C 3.45Å; P310-S313 PolarHBondContact O-N 3.14Å; P310-F314 PolarHBondContact O-N 3.46Å | ||
| 311 | E | 88.5 | Confident | 93.4 | Very high | 127 Ų | 127 | 42.7 Ų | 42.7 | 59% | 0.593 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -53.8 | -40.9 | -178.4 | -65.9 | 179.1 | -173.5 | 0 | 0 | 112.7 | S313 F314 | E311-S313 PolarHBondContact O-N 3.29Å; E311-F314 WeakPolarHBondContact O-CB 3.07Å; E311-F314 PolarHBondContact O-N 3.44Å; E311-F314 VanDerWaalsContact O-N 3.15Å |
| 312 | S | 90.6 | Very high | 93.5 | Very high | 101 Ų | 101 | 42.6 Ų | 42.6 | 71% | 0.706 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.8 | -29.1 | 178.3 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | P310 | P310-S312 PolarHBondContact O-N 3.37Å |
| 313 | S | 92.1 | Very high | 93.5 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -102.2 | -5.5 | -178.9 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | P310 E311 R317 | P310-S313 CarbonylContact O-C 3.45Å; P310-S313 PolarHBondContact O-N 3.14Å; E311-S313 PolarHBondContact O-N 3.29Å; S313-R317 WeakPolarHBondContact O-CB 3.24Å; S313-R317 VanDerWaalsContact O-CG 3.3Å; S313-R317 WeakPolarHBondContact O-CG 2.87Å; S313-R317 PolarHBondContact O-N 2.9Å |
| 314 | F | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.2 | -56.5 | -175 | 177.7 | -107.5 | 0 | 0 | 0 | 112.1 | L306 V309 P310 E311 R317 L318 L340 K346 L349 I350 | L306-F314 HydrophobicContact CB-CE2 4.22Å; L306-F314 HydrophobicContact CD2-CD2 4.4Å; L306-F314 HydrophobicContact CD2-CE2 4.43Å; V309-F314 HydrophobicContact CG2-CB 4.18Å; V309-F314 HydrophobicContact CG2-CD2 3.92Å; P310-F314 PolarHBondContact O-N 3.46Å; E311-F314 WeakPolarHBondContact O-CB 3.07Å; E311-F314 PolarHBondContact O-N 3.44Å; E311-F314 VanDerWaalsContact O-N 3.15Å; F314-R317 PolarHBondContact O-N 2.9Å; F314-L318 HydrophobicContact CE1-CD2 3.86Å; F314-L318 HydrophobicContact CZ-CD2 3.92Å; F314-L318 WeakPolarHBondContact O-CB 3.29Å; F314-L318 PolarHBondContact O-N 3.41Å; F314-L340 HydrophobicContact CE2-CD1 4.05Å; F314-L340 HydrophobicContact CE2-CD2 4.33Å; F314-L340 HydrophobicContact CZ-CD1 4.05Å; F314-K346 HydrophobicContact CD2-CD 4.26Å; F314-K346 HydrophobicContact CD2-CG 4.41Å; F314-K346 HydrophobicContact CE1-CB 4.12Å; F314-K346 HydrophobicContact CE1-CG 4.18Å; F314-K346 HydrophobicContact CE2-CB 4.45Å; F314-K346 HydrophobicContact CE2-CD 3.83Å; F314-K346 HydrophobicContact CE2-CG 4.07Å; F314-K346 HydrophobicContact CZ-CB 3.89Å; F314-K346 HydrophobicContact CZ-CD 4.12Å; F314-K346 HydrophobicContact CZ-CG 3.94Å; F314-L349 HydrophobicContact CD1-CB 4.21Å; F314-L349 HydrophobicContact CD1-CD1 3.87Å; F314-L349 HydrophobicContact CE1-CB 4.15Å; F314-L349 HydrophobicContact CE1-CD1 4.48Å; F314-I350 HydrophobicContact CE1-CG1 4.16Å; F314-I350 HydrophobicContact CZ-CD1 4.22Å; F314-I350 HydrophobicContact CZ-CG1 4.16Å |
| 315 | V | 95.3 | Very high | 93.5 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 27% | 0.267 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.8 | -46.2 | -178.6 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | R317 L318 A319 L349 L353 | V315-R317 PolarHBondContact O-N 3.27Å; V315-L318 PolarHBondContact O-N 3.46Å; V315-A319 VanDerWaalsContact O-CB 3.31Å; V315-A319 WeakPolarHBondContact O-CB 3.16Å; V315-A319 PolarHBondContact O-N 3.36Å; V315-L349 HydrophobicContact CG2-CB 4.3Å; V315-L349 HydrophobicContact CG2-CD2 4.43Å; V315-L353 HydrophobicContact CG1-CD1 3.94Å; V315-L353 HydrophobicContact CG1-CD2 4.28Å |
| 316 | P | 94.8 | Very high | 93.6 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -57.7 | -30 | 176.1 | -27.3 | 35.5 | 0 | 0 | 0 | 114.5 | P320 | P316-P320 WeakPolarHBondContact O-CD 3.38Å; P316-P320 WeakPolarHBondContact O-CG 3.47Å |
| 317 | R | 94.8 | Very high | 93.5 | Very high | 78 Ų | 78 | 47.3 Ų | 47.3 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -87.6 | -34.6 | 178.2 | -70.5 | 176.8 | 174.4 | -93.8 | 2.6 | 112.9 | I285 D289 L306 S313 F314 V315 | I285-R317 VanDerWaalsContact CG2-NH2 3.27Å; D289-R317 IonicContact OD1-CZ 2.99Å; D289-R317 IonicContact OD1-NH1 3.31Å; D289-R317 PolarHBondContact OD1-NH1 2.88Å; D289-R317 IonicContact OD1-NH2 3.01Å; D289-R317 IonicContact OD2-CZ 3.77Å; D289-R317 IonicContact OD2-NH1 3.05Å; D289-R317 PolarHBondContact OD2-NH1 3.18Å; D289-R317 IonicContact OD2-NH2 3.6Å; D289-R317 PolarHBondContact OD2-NH2 2.87Å; L306-R317 HydrophobicContact CD2-CB 3.87Å; S313-R317 WeakPolarHBondContact O-CB 3.24Å; S313-R317 VanDerWaalsContact O-CG 3.3Å; S313-R317 WeakPolarHBondContact O-CG 2.87Å; S313-R317 PolarHBondContact O-N 2.9Å; F314-R317 PolarHBondContact O-N 2.9Å; V315-R317 PolarHBondContact O-N 3.27Å |
| 318 | L | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.7 | -46.7 | 178.5 | 174.8 | 67 | 0 | 0 | 0 | 111.9 | L306 F314 V315 L321 L322 F337 I350 L353 | L306-L318 HydrophobicContact CD1-CD1 3.99Å; L306-L318 HydrophobicContact CD2-CB 4.24Å; F314-L318 HydrophobicContact CE1-CD2 3.86Å; F314-L318 HydrophobicContact CZ-CD2 3.92Å; F314-L318 WeakPolarHBondContact O-CB 3.29Å; F314-L318 PolarHBondContact O-N 3.41Å; V315-L318 PolarHBondContact O-N 3.46Å; L318-L321 PolarHBondContact O-N 3.42Å; L318-L321 VanDerWaalsContact O-N 3.14Å; L318-L322 HydrophobicContact CD1-CB 4.45Å; L318-L322 WeakPolarHBondContact O-CB 3.17Å; L318-L322 PolarHBondContact O-N 3.01Å; L318-F337 HydrophobicContact CD1-CD1 3.78Å; L318-F337 HydrophobicContact CD1-CE1 3.57Å; L318-F337 HydrophobicContact CD1-CE2 4.45Å; L318-F337 HydrophobicContact CD1-CG 4.32Å; L318-F337 HydrophobicContact CD1-CZ 3.93Å; L318-I350 HydrophobicContact CD2-CG1 3.66Å; L318-L353 HydrophobicContact CD2-CD2 3.95Å; L318-L353 HydrophobicContact CG-CD2 4.31Å |
| 319 | A | 95.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54 | -49.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V315 L321 L322 I323 L353 Y357 | V315-A319 VanDerWaalsContact O-CB 3.31Å; V315-A319 WeakPolarHBondContact O-CB 3.16Å; V315-A319 PolarHBondContact O-N 3.36Å; A319-L321 VanDerWaalsContact C-N 3.3Å; A319-L321 PolarHBondContact O-N 3.07Å; A319-L322 PolarHBondContact O-N 2.98Å; A319-I323 VanDerWaalsContact O-CB 3.31Å; A319-I323 WeakPolarHBondContact O-CB 3.46Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.25Å; A319-I323 PolarHBondContact O-N 3.46Å; A319-L353 HydrophobicContact CB-CD2 4.22Å; A319-Y357 WeakPolarHBondContact CA-OH 3.47Å; A319-Y357 WeakPolarHBondContact CB-OH 3.44Å |
| 320 | P | 93.6 | Very high | 93.9 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -37 | 179.8 | -23.6 | 34.5 | 0 | 0 | 0 | 113.5 | P316 K324 | P316-P320 WeakPolarHBondContact O-CD 3.38Å; P316-P320 WeakPolarHBondContact O-CG 3.47Å; P320-K324 WeakPolarHBondContact O-CB 3.29Å; P320-K324 PolarHBondContact O-N 2.9Å; P320-K324 VanDerWaalsContact O-N 3.07Å |
| 321 | L | 93.7 | Very high | 94 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.5 | -44.6 | 178.7 | -65.5 | 172.6 | 0 | 0 | 0 | 111.4 | L306 L318 A319 K324 M325 F337 | L306-L321 HydrophobicContact CD1-CD1 4.17Å; L318-L321 PolarHBondContact O-N 3.42Å; L318-L321 VanDerWaalsContact O-N 3.14Å; A319-L321 VanDerWaalsContact C-N 3.3Å; A319-L321 PolarHBondContact O-N 3.07Å; L321-K324 PolarHBondContact O-N 2.98Å; L321-M325 WeakPolarHBondContact O-CG 3.43Å; L321-M325 PolarHBondContact O-N 3.06Å; L321-F337 HydrophobicContact CB-CZ 4.02Å |
| 322 | L | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -48.8 | -180 | -176.6 | 56.3 | 0 | 0 | 0 | 110.7 | L318 A319 K324 M325 L326 V333 F337 L353 T354 Y357 Y385 | L318-L322 HydrophobicContact CD1-CB 4.45Å; L318-L322 WeakPolarHBondContact O-CB 3.17Å; L318-L322 PolarHBondContact O-N 3.01Å; A319-L322 PolarHBondContact O-N 2.98Å; L322-K324 VanDerWaalsContact C-N 3.34Å; L322-K324 PolarHBondContact O-N 3.32Å; L322-M325 PolarHBondContact O-N 3.16Å; L322-M325 VanDerWaalsContact O-N 3.13Å; L322-L326 HydrophobicContact CD1-CD1 4.05Å; L322-L326 HydrophobicContact CD1-CG 4.12Å; L322-L326 HydrophobicContact CG-CD1 3.82Å; L322-L326 HydrophobicContact CG-CG 4.35Å; L322-L326 WeakPolarHBondContact O-CB 3.25Å; L322-L326 VanDerWaalsContact O-CG 3.26Å; L322-L326 WeakPolarHBondContact O-CG 3.46Å; L322-L326 PolarHBondContact O-N 2.98Å; L322-V333 HydrophobicContact CD1-CG2 3.62Å; L322-F337 HydrophobicContact CB-CE2 4.32Å; L322-F337 HydrophobicContact CD1-CD2 4.15Å; L322-F337 HydrophobicContact CD1-CE2 3.82Å; L322-L353 HydrophobicContact CD2-CD2 4.34Å; L322-T354 HydrophobicContact CD2-CG2 3.83Å; L322-Y357 HydrophobicContact CD2-CE2 4.01Å; L322-Y357 HydrophobicContact CG-CE2 4.29Å; L322-Y385 HydrophobicContact CD1-CD2 4.1Å; L322-Y385 HydrophobicContact CD1-CE2 3.81Å |
| 323 | I | 94.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.9 | -49.5 | 174.6 | -71 | 170.8 | 0 | 0 | 0 | 110.4 | A319 M325 L326 R327 Y357 F367 | A319-I323 VanDerWaalsContact O-CB 3.31Å; A319-I323 WeakPolarHBondContact O-CB 3.46Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.25Å; A319-I323 PolarHBondContact O-N 3.46Å; I323-M325 VanDerWaalsContact C-N 3.28Å; I323-M325 PolarHBondContact O-N 3.06Å; I323-L326 PolarHBondContact O-N 3.07Å; I323-R327 HydrophobicContact CG2-CG 4.17Å; I323-R327 WeakPolarHBondContact O-CB 3.45Å; I323-R327 VanDerWaalsContact O-CG 3.3Å; I323-R327 WeakPolarHBondContact O-CG 3.49Å; I323-R327 PolarHBondContact O-N 2.78Å; I323-Y357 HydrophobicContact CD1-CE1 4.38Å; I323-Y357 HydrophobicContact CG1-CE2 3.99Å; I323-F367 HydrophobicContact CD1-CB 4.35Å; I323-F367 HydrophobicContact CD1-CD1 4.24Å; I323-F367 HydrophobicContact CD1-CG 4.19Å; I323-F367 HydrophobicContact CG1-CD1 3.89Å; I323-F367 HydrophobicContact CG1-CD2 4.42Å; I323-F367 HydrophobicContact CG1-CE1 3.95Å; I323-F367 HydrophobicContact CG1-CE2 4.48Å; I323-F367 HydrophobicContact CG1-CG 4.12Å; I323-F367 HydrophobicContact CG1-CZ 4.25Å; I323-F367 HydrophobicContact CG2-CD2 3.84Å; I323-F367 HydrophobicContact CG2-CE2 3.76Å; I323-F367 HydrophobicContact CG2-CG 4.34Å; I323-F367 HydrophobicContact CG2-CZ 4.21Å |
| 324 | K | 93.1 | Very high | 94.8 | Very high | 124 Ų | 124 | 43 Ų | 43 | 54% | 0.539 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.3 | -40.6 | 178 | -179.5 | 179.5 | -179.8 | 178.9 | 0 | 112.7 | P320 L321 L322 K328 | P320-K324 WeakPolarHBondContact O-CB 3.29Å; P320-K324 PolarHBondContact O-N 2.9Å; P320-K324 VanDerWaalsContact O-N 3.07Å; L321-K324 PolarHBondContact O-N 2.98Å; L322-K324 VanDerWaalsContact C-N 3.34Å; L322-K324 PolarHBondContact O-N 3.32Å; K324-K328 WeakPolarHBondContact O-CB 3.46Å; K324-K328 PolarHBondContact O-N 2.88Å |
| 325 | M | 94.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.7 | -36.8 | 179 | -70.6 | -168.5 | 76.8 | 0 | 0 | 113 | L321 L322 I323 G329 A330 V333 F336 F337 | L321-M325 WeakPolarHBondContact O-CG 3.43Å; L321-M325 PolarHBondContact O-N 3.06Å; L322-M325 PolarHBondContact O-N 3.16Å; L322-M325 VanDerWaalsContact O-N 3.13Å; I323-M325 VanDerWaalsContact C-N 3.28Å; I323-M325 PolarHBondContact O-N 3.06Å; M325-G329 PolarHBondContact O-N 2.79Å; M325-G329 VanDerWaalsContact O-N 3.11Å; M325-A330 HydrophobicContact CB-CB 4.27Å; M325-A330 HydrophobicContact CE-CB 3.76Å; M325-A330 PolarHBondContact O-N 3.43Å; M325-V333 HydrophobicContact CB-CB 4.27Å; M325-V333 HydrophobicContact CB-CG2 3.77Å; M325-V333 HydrophobicContact CE-CB 4.13Å; M325-V333 HydrophobicContact CE-CG2 4.42Å; M325-V333 HydrophobicContact SD-CG2 4.24Å; M325-F336 HydrophobicContact CE-CB 4.11Å; M325-F336 HydrophobicContact CE-CD1 4.49Å; M325-F336 HydrophobicContact CE-CD2 4.45Å; M325-F336 HydrophobicContact CE-CG 4.13Å; M325-F336 HydrophobicContact SD-CB 4.3Å; M325-F336 HydrophobicContact SD-CD1 3.69Å; M325-F336 HydrophobicContact SD-CD2 4.49Å; M325-F336 HydrophobicContact SD-CE1 4.03Å; M325-F336 HydrophobicContact SD-CG 3.94Å; M325-F337 HydrophobicContact SD-CE2 4.06Å; M325-F337 HydrophobicContact SD-CZ 4.39Å |
| 326 | L | 95.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.7 | -46.8 | 176.7 | -69.3 | 170 | 0 | 0 | 0 | 111.2 | L322 I323 K328 G329 Y357 F367 W381 V382 | L322-L326 HydrophobicContact CD1-CD1 4.05Å; L322-L326 HydrophobicContact CD1-CG 4.12Å; L322-L326 HydrophobicContact CG-CD1 3.82Å; L322-L326 HydrophobicContact CG-CG 4.35Å; L322-L326 WeakPolarHBondContact O-CB 3.25Å; L322-L326 VanDerWaalsContact O-CG 3.26Å; L322-L326 WeakPolarHBondContact O-CG 3.46Å; L322-L326 PolarHBondContact O-N 2.98Å; I323-L326 PolarHBondContact O-N 3.07Å; L326-K328 VanDerWaalsContact C-N 3.3Å; L326-K328 PolarHBondContact O-N 3.32Å; L326-G329 PolarHBondContact O-N 3.14Å; L326-Y357 HydrophobicContact CD1-CD2 4.06Å; L326-Y357 HydrophobicContact CD1-CE2 4.4Å; L326-F367 HydrophobicContact CB-CZ 4.24Å; L326-F367 HydrophobicContact CD1-CE1 4.3Å; L326-F367 HydrophobicContact CD1-CZ 4.36Å; L326-W381 HydrophobicContact CD2-CB 3.97Å; L326-V382 HydrophobicContact CD1-CG2 3.95Å; L326-V382 HydrophobicContact CD2-CG2 4.27Å |
| 327 | R | 94.4 | Very high | 94.8 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 30% | 0.298 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -54 | -45.4 | 172.6 | -76.3 | -179.2 | 167.9 | 146.9 | 5.8 | 112.5 | I323 G329 F367 E370 E374 | I323-R327 HydrophobicContact CG2-CG 4.17Å; I323-R327 WeakPolarHBondContact O-CB 3.45Å; I323-R327 VanDerWaalsContact O-CG 3.3Å; I323-R327 WeakPolarHBondContact O-CG 3.49Å; I323-R327 PolarHBondContact O-N 2.78Å; R327-G329 PolarHBondContact O-N 2.95Å; R327-F367 HydrophobicContact CG-CE2 3.89Å; R327-E370 IonicContact CZ-OE1 3.68Å; R327-E370 IonicContact CZ-OE2 3.38Å; R327-E370 IonicContact NH1-OE1 3.27Å; R327-E370 PolarHBondContact NH1-OE1 3.43Å; R327-E370 IonicContact NH1-OE2 3.23Å; R327-E370 PolarHBondContact NH1-OE2 3.07Å; R327-E370 IonicContact NH2-OE1 3.27Å; R327-E370 PolarHBondContact NH2-OE1 3.27Å; R327-E370 IonicContact NH2-OE2 2.64Å; R327-E370 PolarHBondContact NH2-OE2 3.47Å; R327-E374 WeakPolarHBondContact CG-OE2 3.35Å; R327-E374 IonicContact CZ-OE1 3.13Å; R327-E374 IonicContact NE-OE1 2.7Å; R327-E374 PolarHBondContact NE-OE1 2.81Å; R327-E374 IonicContact NE-OE2 3.69Å; R327-E374 IonicContact NH2-OE1 2.67Å; R327-E374 PolarHBondContact NH2-OE1 3.08Å |
| 328 | K | 94.1 | Very high | 94.8 | Very high | 180 Ų | 180 | 44.3 Ų | 44.3 | 78% | 0.783 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -69.3 | -21.5 | 178.5 | -175.9 | 173.7 | 178.2 | -177.3 | 0 | 112.7 | K324 L326 | K324-K328 WeakPolarHBondContact O-CB 3.46Å; K324-K328 PolarHBondContact O-N 2.88Å; L326-K328 VanDerWaalsContact C-N 3.3Å; L326-K328 PolarHBondContact O-N 3.32Å |
| 329 | G | 94.6 | Very high | 94.7 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 19% | 0.186 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 45 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | M325 L326 R327 A331 W381 | M325-G329 PolarHBondContact O-N 2.79Å; M325-G329 VanDerWaalsContact O-N 3.11Å; L326-G329 PolarHBondContact O-N 3.14Å; R327-G329 PolarHBondContact O-N 2.95Å; G329-A331 PolarHBondContact O-N 2.89Å; G329-W381 WeakPolarHBondContact O-CZ2 3.23Å |
| 330 | A | 94 | Very high | 94.7 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 17% | 0.165 | 24% | 0.236 | C | C | . | . | trans | -78.8 | 105.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M325 P332 V333 | M325-A330 HydrophobicContact CB-CB 4.27Å; M325-A330 HydrophobicContact CE-CB 3.76Å; M325-A330 PolarHBondContact O-N 3.43Å; A330-P332 VanDerWaalsContact C-N 3.3Å; A330-P332 VanDerWaalsContact O-N 3.13Å; A330-V333 VanDerWaalsContact O-CB 3.27Å; A330-V333 WeakPolarHBondContact O-CB 3.31Å; A330-V333 VanDerWaalsContact O-CG1 3.29Å; A330-V333 WeakPolarHBondContact O-CG1 3.36Å; A330-V333 PolarHBondContact O-N 2.87Å | ||
| 331 | A | 93.4 | Very high | 94.8 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | -37.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | G329 V333 W381 Y384 E415 | G329-A331 PolarHBondContact O-N 2.89Å; A331-V333 VanDerWaalsContact C-N 3.26Å; A331-V333 PolarHBondContact O-N 3.45Å; A331-W381 VanDerWaalsContact CA-CZ3 3.48Å; A331-W381 HydrophobicContact CB-CH2 3.87Å; A331-W381 HydrophobicContact CB-CZ3 3.98Å; A331-Y384 WeakPolarHBondContact O-CE1 3.49Å; A331-E415 HydrophobicContact CB-CG 4.21Å |
| 332 | P | 95.4 | Very high | 94.7 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 49% | 0.494 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 9.6 | 179.4 | 33.3 | -36.4 | 0 | 0 | 0 | 114.4 | A330 F334 T335 F336 | A330-P332 VanDerWaalsContact C-N 3.3Å; A330-P332 VanDerWaalsContact O-N 3.13Å; P332-F334 VanDerWaalsContact C-N 3.29Å; P332-F334 PolarHBondContact O-N 3.44Å; P332-T335 CarbonylContact O-C 3.59Å; P332-T335 WeakPolarHBondContact O-CA 3.31Å; P332-T335 WeakPolarHBondContact O-CB 3.38Å; P332-T335 PolarHBondContact O-N 3.36Å; P332-F336 WeakPolarHBondContact O-CB 3.48Å; P332-F336 PolarHBondContact O-N 3.39Å |
| 333 | V | 95.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -50.1 | -44.5 | -175.7 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | L322 M325 A330 A331 F336 F337 Y385 | L322-V333 HydrophobicContact CD1-CG2 3.62Å; M325-V333 HydrophobicContact CB-CB 4.27Å; M325-V333 HydrophobicContact CB-CG2 3.77Å; M325-V333 HydrophobicContact CE-CB 4.13Å; M325-V333 HydrophobicContact CE-CG2 4.42Å; M325-V333 HydrophobicContact SD-CG2 4.24Å; A330-V333 VanDerWaalsContact O-CB 3.27Å; A330-V333 WeakPolarHBondContact O-CB 3.31Å; A330-V333 VanDerWaalsContact O-CG1 3.29Å; A330-V333 WeakPolarHBondContact O-CG1 3.36Å; A330-V333 PolarHBondContact O-N 2.87Å; A331-V333 VanDerWaalsContact C-N 3.26Å; A331-V333 PolarHBondContact O-N 3.45Å; V333-F336 WeakPolarHBondContact O-CB 3.49Å; V333-F336 PolarHBondContact O-N 2.93Å; V333-F337 HydrophobicContact CG2-CD2 4.26Å; V333-F337 HydrophobicContact CG2-CE2 4.13Å; V333-F337 VanDerWaalsContact O-CD2 3.24Å; V333-F337 WeakPolarHBondContact O-CD2 3.35Å; V333-F337 PolarHBondContact O-N 3.46Å; V333-Y385 HydrophobicContact CB-CD2 4.48Å; V333-Y385 HydrophobicContact CG1-CD2 3.86Å; V333-Y385 HydrophobicContact CG2-CD2 3.96Å; V333-Y385 HydrophobicContact CG2-CE2 4.09Å |
| 334 | F | 96.5 | Very high | 94.6 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66 | -45.7 | 175.9 | -179.3 | -93.4 | 0 | 0 | 0 | 111.9 | P332 F336 F337 R338 Y341 Y385 L388 H389 Y392 | P332-F334 VanDerWaalsContact C-N 3.29Å; P332-F334 PolarHBondContact O-N 3.44Å; F334-F336 PolarHBondContact O-N 3.14Å; F334-F337 CarbonylContact O-C 3.51Å; F334-F337 PolarHBondContact O-N 3.41Å; F334-F337 VanDerWaalsContact O-N 3.11Å; F334-R338 HydrophobicContact CE1-CB 4.33Å; F334-R338 HydrophobicContact CE1-CG 4.08Å; F334-R338 WeakPolarHBondContact O-CB 3.33Å; F334-R338 PolarHBondContact O-N 3.39Å; F334-Y341 HydrophobicContact CE2-CD1 4.43Å; F334-Y341 AromaticContact CE2-CE1 3.66Å; F334-Y341 HydrophobicContact CE2-CE1 3.66Å; F334-Y341 AromaticContact CE2-CE2 3.97Å; F334-Y341 HydrophobicContact CE2-CE2 3.97Å; F334-Y341 AromaticContact CE2-CZ 3.4Å; F334-Y341 WeakPolarHBondContact CE2-OH 3.46Å; F334-Y341 HydrophobicContact CZ-CD1 4.37Å; F334-Y341 HydrophobicContact CZ-CE1 4.01Å; F334-Y341 HydrophobicContact CZ-CE2 4.43Å; F334-Y385 HydrophobicContact CB-CE2 4.47Å; F334-Y385 HydrophobicContact CD2-CE2 4.46Å; F334-L388 HydrophobicContact CB-CB 4.03Å; F334-L388 HydrophobicContact CB-CD1 3.59Å; F334-L388 HydrophobicContact CB-CG 4.36Å; F334-L388 HydrophobicContact CD1-CB 4.14Å; F334-L388 HydrophobicContact CD1-CD2 4.43Å; F334-L388 HydrophobicContact CD2-CB 3.64Å; F334-L388 HydrophobicContact CE2-CB 4.14Å; F334-L388 HydrophobicContact CG-CB 3.65Å; F334-L388 HydrophobicContact CG-CD1 4.08Å; F334-L388 HydrophobicContact CG-CG 4.34Å; F334-H389 HydrophobicContact CE2-CB 4.44Å; F334-Y392 HydrophobicContact CE1-CD2 4.16Å; F334-Y392 AromaticContact CZ-CD2 3.89Å; F334-Y392 HydrophobicContact CZ-CD2 3.89Å; F334-Y392 AromaticContact CZ-CG 3.92Å; F334-Y392 HydrophobicContact CZ-CG 3.92Å |
| 335 | T | 94.9 | Very high | 94.6 | Very high | 79 Ų | 79 | 52.9 Ų | 52.9 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -32 | -179.7 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | P332 | P332-T335 CarbonylContact O-C 3.59Å; P332-T335 WeakPolarHBondContact O-CA 3.31Å; P332-T335 WeakPolarHBondContact O-CB 3.38Å; P332-T335 PolarHBondContact O-N 3.36Å |
| 336 | F | 94.3 | Very high | 94.7 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 175.9 | -172.5 | -95 | 0 | 0 | 0 | 112.1 | L299 R303 M325 P332 V333 F334 F339 | L299-F336 HydrophobicContact CB-CE2 4.09Å; L299-F336 HydrophobicContact CB-CZ 3.99Å; L299-F336 HydrophobicContact CD1-CE2 4.35Å; R303-F336 HydrophobicContact CB-CE1 3.8Å; R303-F336 HydrophobicContact CB-CZ 3.64Å; R303-F336 HydrophobicContact CG-CD1 4.3Å; R303-F336 HydrophobicContact CG-CE1 3.7Å; R303-F336 HydrophobicContact CG-CE2 4.49Å; R303-F336 HydrophobicContact CG-CZ 3.81Å; R303-F336 PolarHBondContact NE-O 3.41Å; R303-F336 PolarHBondContact NH2-O 3.17Å; M325-F336 HydrophobicContact CE-CB 4.11Å; M325-F336 HydrophobicContact CE-CD1 4.49Å; M325-F336 HydrophobicContact CE-CD2 4.45Å; M325-F336 HydrophobicContact CE-CG 4.13Å; M325-F336 HydrophobicContact SD-CB 4.3Å; M325-F336 HydrophobicContact SD-CD1 3.69Å; M325-F336 HydrophobicContact SD-CD2 4.49Å; M325-F336 HydrophobicContact SD-CE1 4.03Å; M325-F336 HydrophobicContact SD-CG 3.94Å; P332-F336 WeakPolarHBondContact O-CB 3.48Å; P332-F336 PolarHBondContact O-N 3.39Å; V333-F336 WeakPolarHBondContact O-CB 3.49Å; V333-F336 PolarHBondContact O-N 2.93Å; F334-F336 PolarHBondContact O-N 3.14Å; F336-F339 WeakPolarHBondContact O-CD1 3.49Å; F336-F339 WeakPolarHBondContact O-CE1 3.49Å |
| 337 | F | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -97.9 | -4 | 179.8 | -64.5 | -64.1 | 0 | 0 | 0 | 115 | L306 L318 L321 L322 M325 V333 F334 F339 L340 Y385 | L306-F337 HydrophobicContact CD1-CD1 4.01Å; L306-F337 HydrophobicContact CD1-CE1 3.63Å; L318-F337 HydrophobicContact CD1-CD1 3.78Å; L318-F337 HydrophobicContact CD1-CE1 3.57Å; L318-F337 HydrophobicContact CD1-CE2 4.45Å; L318-F337 HydrophobicContact CD1-CG 4.32Å; L318-F337 HydrophobicContact CD1-CZ 3.93Å; L321-F337 HydrophobicContact CB-CZ 4.02Å; L322-F337 HydrophobicContact CB-CE2 4.32Å; L322-F337 HydrophobicContact CD1-CD2 4.15Å; L322-F337 HydrophobicContact CD1-CE2 3.82Å; M325-F337 HydrophobicContact SD-CE2 4.06Å; M325-F337 HydrophobicContact SD-CZ 4.39Å; V333-F337 HydrophobicContact CG2-CD2 4.26Å; V333-F337 HydrophobicContact CG2-CE2 4.13Å; V333-F337 VanDerWaalsContact O-CD2 3.24Å; V333-F337 WeakPolarHBondContact O-CD2 3.35Å; V333-F337 PolarHBondContact O-N 3.46Å; F334-F337 CarbonylContact O-C 3.51Å; F334-F337 PolarHBondContact O-N 3.41Å; F334-F337 VanDerWaalsContact O-N 3.11Å; F337-F339 PolarHBondContact O-N 3.1Å; F337-L340 HydrophobicContact CB-CD1 4.23Å; F337-L340 HydrophobicContact CD1-CD1 3.97Å; F337-L340 VanDerWaalsContact O-CB 3.29Å; F337-L340 WeakPolarHBondContact O-CB 3.2Å; F337-L340 WeakPolarHBondContact O-CG 3.47Å; F337-L340 PolarHBondContact O-N 3.27Å; F337-Y385 HydrophobicContact CD2-CE2 4.47Å |
| 338 | R | 95.2 | Very high | 94.8 | Very high | 131 Ų | 131 | 51.9 Ų | 51.9 | 49% | 0.494 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -54.1 | -30.8 | -173.9 | -172.7 | 178.4 | 65.9 | 164.9 | 1.1 | 114.7 | F334 L340 Y341 Y392 | F334-R338 HydrophobicContact CE1-CB 4.33Å; F334-R338 HydrophobicContact CE1-CG 4.08Å; F334-R338 WeakPolarHBondContact O-CB 3.33Å; F334-R338 PolarHBondContact O-N 3.39Å; R338-L340 PolarHBondContact O-N 3.49Å; R338-L340 VanDerWaalsContact O-N 3.15Å; R338-Y341 WeakPolarHBondContact O-CB 3.42Å; R338-Y341 PolarHBondContact O-N 3.06Å; R338-Y392 HydrophobicContact CG-CE2 4Å |
| 339 | F | 94.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 25% | 0.254 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -64.3 | -15.2 | 177.8 | 74.6 | -82.4 | 0 | 0 | 0 | 113.5 | R303 L306 A307 F336 F337 Y341 | R303-F339 HydrophobicContact CG-CE1 3.73Å; R303-F339 HydrophobicContact CG-CZ 3.96Å; R303-F339 VanDerWaalsContact NE-CE1 3.28Å; L306-F339 HydrophobicContact CB-CZ 4.39Å; A307-F339 HydrophobicContact CB-CD2 4.39Å; A307-F339 HydrophobicContact CB-CE2 3.86Å; F336-F339 WeakPolarHBondContact O-CD1 3.49Å; F336-F339 WeakPolarHBondContact O-CE1 3.49Å; F337-F339 PolarHBondContact O-N 3.1Å; F339-Y341 VanDerWaalsContact C-N 3.29Å |
| 340 | L | 95.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -79.9 | -13.4 | 174.5 | -58.5 | 174.4 | 0 | 0 | 0 | 112.5 | L306 F314 F337 R338 D342 D343 K346 I350 | L306-L340 HydrophobicContact CB-CD1 4.07Å; L306-L340 HydrophobicContact CB-CD2 3.84Å; L306-L340 HydrophobicContact CD1-CD1 4.26Å; L306-L340 WeakPolarHBondContact O-CD2 3.37Å; F314-L340 HydrophobicContact CE2-CD1 4.05Å; F314-L340 HydrophobicContact CE2-CD2 4.33Å; F314-L340 HydrophobicContact CZ-CD1 4.05Å; F337-L340 HydrophobicContact CB-CD1 4.23Å; F337-L340 HydrophobicContact CD1-CD1 3.97Å; F337-L340 VanDerWaalsContact O-CB 3.29Å; F337-L340 WeakPolarHBondContact O-CB 3.2Å; F337-L340 WeakPolarHBondContact O-CG 3.47Å; F337-L340 PolarHBondContact O-N 3.27Å; R338-L340 PolarHBondContact O-N 3.49Å; R338-L340 VanDerWaalsContact O-N 3.15Å; L340-D342 PolarHBondContact O-N 3.11Å; L340-D343 PolarHBondContact O-N 3.02Å; L340-K346 HydrophobicContact CD2-CD 4.35Å; L340-I350 HydrophobicContact CB-CD1 4.13Å; L340-I350 HydrophobicContact CD1-CD1 4.29Å |
| 341 | Y | 95.5 | Very high | 95.2 | Very high | 15 Ų | 15 | 46 Ų | 46 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -80.1 | 1.3 | -176.7 | -75.2 | -117.8 | 0 | 0 | 0 | 113.5 | F334 R338 F339 V347 I350 Y385 H389 Y392 | F334-Y341 HydrophobicContact CE2-CD1 4.43Å; F334-Y341 AromaticContact CE2-CE1 3.66Å; F334-Y341 HydrophobicContact CE2-CE1 3.66Å; F334-Y341 AromaticContact CE2-CE2 3.97Å; F334-Y341 HydrophobicContact CE2-CE2 3.97Å; F334-Y341 AromaticContact CE2-CZ 3.4Å; F334-Y341 WeakPolarHBondContact CE2-OH 3.46Å; F334-Y341 HydrophobicContact CZ-CD1 4.37Å; F334-Y341 HydrophobicContact CZ-CE1 4.01Å; F334-Y341 HydrophobicContact CZ-CE2 4.43Å; R338-Y341 WeakPolarHBondContact O-CB 3.42Å; R338-Y341 PolarHBondContact O-N 3.06Å; F339-Y341 VanDerWaalsContact C-N 3.29Å; Y341-V347 HydrophobicContact CD1-CG1 4.31Å; Y341-V347 HydrophobicContact CD1-CG2 3.9Å; Y341-V347 HydrophobicContact CE1-CG1 4.35Å; Y341-V347 HydrophobicContact CG-CG2 3.95Å; Y341-I350 HydrophobicContact CE2-CD1 4.06Å; Y341-Y385 WeakPolarHBondContact OH-CE1 3.48Å; Y341-Y385 PolarHBondContact OH-OH 3.28Å; Y341-H389 AromaticContact CE1-ND1 3.35Å; Y341-H389 WeakPolarHBondContact CE1-ND1 3.5Å; Y341-H389 AromaticContact CZ-ND1 3.51Å; Y341-H389 PolarHBondContact OH-ND1 3.38Å; Y341-Y392 VanDerWaalsContact CB-CE1 3.48Å; Y341-Y392 AromaticContact CD1-CD1 3.49Å; Y341-Y392 HydrophobicContact CD1-CD1 3.49Å; Y341-Y392 VanDerWaalsContact CD1-CD1 3.49Å; Y341-Y392 AromaticContact CD1-CE1 3.87Å; Y341-Y392 HydrophobicContact CD1-CE1 3.87Å; Y341-Y392 HydrophobicContact CD1-CG 4.03Å; Y341-Y392 HydrophobicContact CE1-CD1 4.35Å; Y341-Y392 HydrophobicContact CG-CD1 4.15Å; Y341-Y392 HydrophobicContact CG-CE1 4.09Å |
| 342 | D | 91.3 | Very high | 95.4 | Very high | 132 Ų | 132 | 51.1 Ų | 51.1 | 71% | 0.706 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -76.4 | -15.7 | 169.2 | -63.5 | -26.2 | 0 | 0 | 0 | 111.6 | L340 | L340-D342 PolarHBondContact O-N 3.11Š|
| 343 | D | 93.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | trans | -111.4 | 108.6 | -179.9 | -178.7 | -15.5 | 0 | 0 | 0 | 111 | L340 V345 K346 V347 | L340-D343 PolarHBondContact O-N 3.02Å; D343-V345 PolarHBondContact O-N 3.13Å; D343-V345 WeakPolarHBondContact OD1-CB 3.45Å; D343-V345 PolarHBondContact OD1-N 3.43Å; D343-K346 HydrophobicContact CB-CB 4.16Å; D343-K346 HydrophobicContact CB-CD 4.03Å; D343-K346 HydrophobicContact CB-CG 4.17Å; D343-K346 PolarHBondContact O-N 3.44Å; D343-K346 WeakPolarHBondContact OD2-CD 3.27Å; D343-K346 WeakPolarHBondContact OD2-CE 3.3Å; D343-K346 WeakPolarHBondContact OD2-CG 3.31Å; D343-K346 IonicContact OD2-NZ 3.63Å; D343-V347 WeakPolarHBondContact O-CG2 3.37Å; D343-V347 PolarHBondContact O-N 3.02Å | ||
| 344 | P | 93.7 | Very high | 95.6 | Very high | 104 Ų | 104 | 48.4 Ų | 48.4 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.2 | -32.7 | -178.7 | -25.6 | 34.1 | 0 | 0 | 0 | 114.6 | V347 A348 | P344-V347 PolarHBondContact O-N 2.83Å; P344-A348 PolarHBondContact O-N 3.31Å |
| 345 | V | 94.9 | Very high | 95.6 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.6 | -44.5 | -179.2 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | D343 V347 A348 L349 | D343-V345 PolarHBondContact O-N 3.13Å; D343-V345 WeakPolarHBondContact OD1-CB 3.45Å; D343-V345 PolarHBondContact OD1-N 3.43Å; V345-V347 VanDerWaalsContact C-N 3.31Å; V345-V347 PolarHBondContact O-N 2.63Å; V345-A348 PolarHBondContact O-N 2.92Å; V345-L349 HydrophobicContact CG1-CD1 4.46Å; V345-L349 WeakPolarHBondContact O-CG 3.26Å; V345-L349 PolarHBondContact O-N 3.4Å |
| 346 | K | 95.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 175.8 | -68.5 | 179.4 | -172.6 | -178.2 | 0 | 112.1 | L306 A307 F314 L340 D343 L349 I350 | L306-K346 PolarHBondContact O-NZ 3.39Å; A307-K346 PolarHBondContact O-NZ 3.46Å; F314-K346 HydrophobicContact CD2-CD 4.26Å; F314-K346 HydrophobicContact CD2-CG 4.41Å; F314-K346 HydrophobicContact CE1-CB 4.12Å; F314-K346 HydrophobicContact CE1-CG 4.18Å; F314-K346 HydrophobicContact CE2-CB 4.45Å; F314-K346 HydrophobicContact CE2-CD 3.83Å; F314-K346 HydrophobicContact CE2-CG 4.07Å; F314-K346 HydrophobicContact CZ-CB 3.89Å; F314-K346 HydrophobicContact CZ-CD 4.12Å; F314-K346 HydrophobicContact CZ-CG 3.94Å; L340-K346 HydrophobicContact CD2-CD 4.35Å; D343-K346 HydrophobicContact CB-CB 4.16Å; D343-K346 HydrophobicContact CB-CD 4.03Å; D343-K346 HydrophobicContact CB-CG 4.17Å; D343-K346 PolarHBondContact O-N 3.44Å; D343-K346 WeakPolarHBondContact OD2-CD 3.27Å; D343-K346 WeakPolarHBondContact OD2-CE 3.3Å; D343-K346 WeakPolarHBondContact OD2-CG 3.31Å; D343-K346 IonicContact OD2-NZ 3.63Å; K346-L349 PolarHBondContact O-N 3.19Å; K346-I350 WeakPolarHBondContact O-CB 3.4Å; K346-I350 WeakPolarHBondContact O-CD1 3.27Å; K346-I350 WeakPolarHBondContact O-CG1 3.4Å; K346-I350 PolarHBondContact O-N 3.34Å |
| 347 | V | 96.6 | Very high | 95.8 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | Y341 D343 P344 V345 L349 I350 E351 L393 | Y341-V347 HydrophobicContact CD1-CG1 4.31Å; Y341-V347 HydrophobicContact CD1-CG2 3.9Å; Y341-V347 HydrophobicContact CE1-CG1 4.35Å; Y341-V347 HydrophobicContact CG-CG2 3.95Å; D343-V347 WeakPolarHBondContact O-CG2 3.37Å; D343-V347 PolarHBondContact O-N 3.02Å; P344-V347 PolarHBondContact O-N 2.83Å; V345-V347 VanDerWaalsContact C-N 3.31Å; V345-V347 PolarHBondContact O-N 2.63Å; V347-L349 PolarHBondContact O-N 3.12Å; V347-I350 PolarHBondContact O-N 3.18Å; V347-E351 WeakPolarHBondContact O-CB 3.31Å; V347-E351 PolarHBondContact O-N 3.34Å; V347-L393 HydrophobicContact CG1-CD1 4.24Å; V347-L393 HydrophobicContact CG1-CD2 4Å; V347-L393 HydrophobicContact CG1-CG 4.49Å |
| 348 | A | 96.6 | Very high | 95.9 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 45% | 0.446 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P344 V345 E351 Q352 | P344-A348 PolarHBondContact O-N 3.31Å; V345-A348 PolarHBondContact O-N 2.92Å; A348-E351 PolarHBondContact O-N 2.92Å; A348-Q352 WeakPolarHBondContact O-CB 3.48Å; A348-Q352 PolarHBondContact O-N 2.68Å |
| 349 | L | 96.7 | Very high | 95.9 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 175.4 | -68.7 | 173.4 | 0 | 0 | 0 | 112.4 | F314 V315 V345 K346 V347 L353 | F314-L349 HydrophobicContact CD1-CB 4.21Å; F314-L349 HydrophobicContact CD1-CD1 3.87Å; F314-L349 HydrophobicContact CE1-CB 4.15Å; F314-L349 HydrophobicContact CE1-CD1 4.48Å; V315-L349 HydrophobicContact CG2-CB 4.3Å; V315-L349 HydrophobicContact CG2-CD2 4.43Å; V345-L349 HydrophobicContact CG1-CD1 4.46Å; V345-L349 WeakPolarHBondContact O-CG 3.26Å; V345-L349 PolarHBondContact O-N 3.4Å; K346-L349 PolarHBondContact O-N 3.19Å; V347-L349 PolarHBondContact O-N 3.12Å; L349-L353 VanDerWaalsContact O-CB 3.24Å; L349-L353 WeakPolarHBondContact O-CB 3.45Å; L349-L353 PolarHBondContact O-N 2.68Å |
| 350 | I | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 174.7 | -71.2 | 163.4 | 0 | 0 | 0 | 110.4 | F314 L318 L340 Y341 K346 V347 L353 T354 Y385 | F314-I350 HydrophobicContact CE1-CG1 4.16Å; F314-I350 HydrophobicContact CZ-CD1 4.22Å; F314-I350 HydrophobicContact CZ-CG1 4.16Å; L318-I350 HydrophobicContact CD2-CG1 3.66Å; L340-I350 HydrophobicContact CB-CD1 4.13Å; L340-I350 HydrophobicContact CD1-CD1 4.29Å; Y341-I350 HydrophobicContact CE2-CD1 4.06Å; K346-I350 WeakPolarHBondContact O-CB 3.4Å; K346-I350 WeakPolarHBondContact O-CD1 3.27Å; K346-I350 WeakPolarHBondContact O-CG1 3.4Å; K346-I350 PolarHBondContact O-N 3.34Å; V347-I350 PolarHBondContact O-N 3.18Å; I350-L353 PolarHBondContact O-N 2.74Å; I350-T354 HydrophobicContact CG2-CG2 4.41Å; I350-T354 WeakPolarHBondContact O-CB 3.32Å; I350-T354 WeakPolarHBondContact O-CG2 3.49Å; I350-T354 PolarHBondContact O-N 3.17Å; I350-T354 PolarHBondContact O-OG1 3.12Å; I350-Y385 HydrophobicContact CG2-CE1 3.79Å; I350-Y385 WeakPolarHBondContact CG2-OH 3.43Å |
| 351 | E | 97.7 | Very high | 96 | Very high | 54 Ų | 54 | 46.2 Ų | 46.2 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.4 | -54.3 | 177.3 | -171.6 | 176.1 | 168.5 | 0 | 0 | 110.5 | V347 A348 L353 T354 L355 H389 Y390 | V347-E351 WeakPolarHBondContact O-CB 3.31Å; V347-E351 PolarHBondContact O-N 3.34Å; A348-E351 PolarHBondContact O-N 2.92Å; E351-L353 VanDerWaalsContact C-N 3.29Å; E351-L353 PolarHBondContact O-N 3.11Å; E351-T354 PolarHBondContact O-N 3.38Å; E351-T354 PolarHBondContact O-OG1 2.75Å; E351-T354 VanDerWaalsContact O-OG1 3.09Å; E351-L355 HydrophobicContact CG-CD1 3.94Å; E351-L355 HydrophobicContact CG-CG 4.42Å; E351-L355 WeakPolarHBondContact O-CB 3.2Å; E351-L355 WeakPolarHBondContact O-CG 3.25Å; E351-L355 PolarHBondContact O-N 3.44Å; E351-H389 IonicContact OE2-NE2 3.61Å; E351-H389 PolarHBondContact OE2-NE2 2.92Å; E351-Y390 WeakPolarHBondContact OE1-CE1 3.23Å; E351-Y390 PolarHBondContact OE1-OH 3.18Å |
| 352 | Q | 97.1 | Very high | 95.9 | Very high | 137 Ų | 137 | 49.5 Ų | 49.5 | 64% | 0.64 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -56.3 | -44.1 | 178.3 | -173.4 | -178 | 6 | 0 | 0 | 111.8 | A348 S356 | A348-Q352 WeakPolarHBondContact O-CB 3.48Å; A348-Q352 PolarHBondContact O-N 2.68Å; Q352-S356 WeakPolarHBondContact O-CB 3.39Å; Q352-S356 PolarHBondContact O-N 2.89Å |
| 353 | L | 96.9 | Very high | 96 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 178.8 | -174.1 | 65.1 | 0 | 0 | 0 | 111.8 | V315 L318 A319 L322 L349 I350 E351 S356 Y357 | V315-L353 HydrophobicContact CG1-CD1 3.94Å; V315-L353 HydrophobicContact CG1-CD2 4.28Å; L318-L353 HydrophobicContact CD2-CD2 3.95Å; L318-L353 HydrophobicContact CG-CD2 4.31Å; A319-L353 HydrophobicContact CB-CD2 4.22Å; L322-L353 HydrophobicContact CD2-CD2 4.34Å; L349-L353 VanDerWaalsContact O-CB 3.24Å; L349-L353 WeakPolarHBondContact O-CB 3.45Å; L349-L353 PolarHBondContact O-N 2.68Å; I350-L353 PolarHBondContact O-N 2.74Å; E351-L353 VanDerWaalsContact C-N 3.29Å; E351-L353 PolarHBondContact O-N 3.11Å; L353-S356 PolarHBondContact O-N 3.2Å; L353-S356 PolarHBondContact O-OG 3.35Å; L353-Y357 HydrophobicContact CD1-CD1 4.49Å; L353-Y357 HydrophobicContact CD1-CE1 3.61Å; L353-Y357 HydrophobicContact CD1-CE2 4.43Å; L353-Y357 WeakPolarHBondContact CD1-OH 3.41Å; L353-Y357 HydrophobicContact CD2-CE2 4.28Å; L353-Y357 HydrophobicContact CG-CE1 3.96Å; L353-Y357 HydrophobicContact CG-CE2 3.9Å; L353-Y357 WeakPolarHBondContact CG-OH 3.06Å; L353-Y357 WeakPolarHBondContact O-CD1 3.48Å; L353-Y357 PolarHBondContact O-N 3.06Å |
| 354 | T | 97 | Very high | 95.9 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.7 | -33.1 | -177.6 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | L322 I350 E351 Y357 R358 Y385 L386 | L322-T354 HydrophobicContact CD2-CG2 3.83Å; I350-T354 HydrophobicContact CG2-CG2 4.41Å; I350-T354 WeakPolarHBondContact O-CB 3.32Å; I350-T354 WeakPolarHBondContact O-CG2 3.49Å; I350-T354 PolarHBondContact O-N 3.17Å; I350-T354 PolarHBondContact O-OG1 3.12Å; E351-T354 PolarHBondContact O-N 3.38Å; E351-T354 PolarHBondContact O-OG1 2.75Å; E351-T354 VanDerWaalsContact O-OG1 3.09Å; T354-Y357 PolarHBondContact O-N 2.69Å; T354-R358 PolarHBondContact O-N 3.12Å; T354-Y385 HydrophobicContact CG2-CD1 3.76Å; T354-Y385 HydrophobicContact CG2-CE1 3.78Å; T354-L386 WeakPolarHBondContact OG1-CD2 3.4Å |
| 355 | L | 97.7 | Very high | 95.9 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 169.4 | -71.1 | 174.4 | 0 | 0 | 0 | 111.7 | E351 Y357 R358 E359 L386 Y402 | E351-L355 HydrophobicContact CG-CD1 3.94Å; E351-L355 HydrophobicContact CG-CG 4.42Å; E351-L355 WeakPolarHBondContact O-CB 3.2Å; E351-L355 WeakPolarHBondContact O-CG 3.25Å; E351-L355 PolarHBondContact O-N 3.44Å; L355-Y357 VanDerWaalsContact C-N 3.27Å; L355-Y357 PolarHBondContact O-N 3.4Å; L355-R358 WeakPolarHBondContact O-CB 3.34Å; L355-R358 PolarHBondContact O-N 3.12Å; L355-E359 WeakPolarHBondContact O-CG 3.22Å; L355-E359 PolarHBondContact O-N 3.28Å; L355-L386 HydrophobicContact CD2-CD1 4.34Å; L355-L386 HydrophobicContact CD2-CD2 4.06Å; L355-L386 HydrophobicContact CG-CD2 4.35Å; L355-Y402 VanDerWaalsContact CD2-OH 3.31Å; L355-Y402 WeakPolarHBondContact CD2-OH 3.49Å |
| 356 | S | 96.7 | Very high | 95.9 | Very high | 40 Ų | 40 | 53.7 Ų | 53.7 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 175.3 | 80.4 | 0 | 0 | 0 | 0 | 112.4 | Q352 L353 S360 | Q352-S356 WeakPolarHBondContact O-CB 3.39Å; Q352-S356 PolarHBondContact O-N 2.89Å; L353-S356 PolarHBondContact O-N 3.2Å; L353-S356 PolarHBondContact O-OG 3.35Å; S356-S360 WeakPolarHBondContact O-CB 3.37Å; S356-S360 PolarHBondContact O-N 2.97Å; S356-S360 VanDerWaalsContact O-N 3.11Å |
| 357 | Y | 97.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 174.8 | -64.4 | -12.2 | 0 | 0 | 0 | 111.5 | A319 L322 I323 L326 L353 T354 L355 S360 L361 F367 P368 | A319-Y357 WeakPolarHBondContact CA-OH 3.47Å; A319-Y357 WeakPolarHBondContact CB-OH 3.44Å; L322-Y357 HydrophobicContact CD2-CE2 4.01Å; L322-Y357 HydrophobicContact CG-CE2 4.29Å; I323-Y357 HydrophobicContact CD1-CE1 4.38Å; I323-Y357 HydrophobicContact CG1-CE2 3.99Å; L326-Y357 HydrophobicContact CD1-CD2 4.06Å; L326-Y357 HydrophobicContact CD1-CE2 4.4Å; L353-Y357 HydrophobicContact CD1-CD1 4.49Å; L353-Y357 HydrophobicContact CD1-CE1 3.61Å; L353-Y357 HydrophobicContact CD1-CE2 4.43Å; L353-Y357 WeakPolarHBondContact CD1-OH 3.41Å; L353-Y357 HydrophobicContact CD2-CE2 4.28Å; L353-Y357 HydrophobicContact CG-CE1 3.96Å; L353-Y357 HydrophobicContact CG-CE2 3.9Å; L353-Y357 WeakPolarHBondContact CG-OH 3.06Å; L353-Y357 WeakPolarHBondContact O-CD1 3.48Å; L353-Y357 PolarHBondContact O-N 3.06Å; T354-Y357 PolarHBondContact O-N 2.69Å; L355-Y357 VanDerWaalsContact C-N 3.27Å; L355-Y357 PolarHBondContact O-N 3.4Å; Y357-S360 PolarHBondContact O-N 3.23Å; Y357-L361 VanDerWaalsContact O-CB 3.23Å; Y357-L361 WeakPolarHBondContact O-CB 3.47Å; Y357-L361 WeakPolarHBondContact O-CD1 3.37Å; Y357-L361 WeakPolarHBondContact O-CG 3.32Å; Y357-L361 PolarHBondContact O-N 3.03Å; Y357-F367 AromaticContact CD1-CD1 3.78Å; Y357-F367 HydrophobicContact CD1-CD1 3.78Å; Y357-F367 HydrophobicContact CD1-CE1 4.29Å; Y357-F367 HydrophobicContact CD2-CD1 4.09Å; Y357-F367 AromaticContact CD2-CE1 3.77Å; Y357-F367 HydrophobicContact CD2-CE1 3.77Å; Y357-F367 HydrophobicContact CE1-CD1 4.17Å; Y357-F367 HydrophobicContact CE2-CD1 4.46Å; Y357-F367 HydrophobicContact CE2-CE1 4.27Å; Y357-F367 AromaticContact CG-CD1 3.73Å; Y357-F367 HydrophobicContact CG-CD1 3.73Å; Y357-F367 AromaticContact CG-CE1 3.77Å; Y357-F367 HydrophobicContact CG-CE1 3.77Å; Y357-P368 HydrophobicContact CD1-CG 3.91Å; Y357-P368 HydrophobicContact CE1-CG 4.33Å |
| 358 | R | 96.5 | Very high | 95.5 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.3 | -54.7 | 175.4 | 177.4 | -160.8 | 68 | 164 | -4.1 | 110.9 | T354 L355 S360 L361 E362 I379 V382 Y383 L386 Y402 | T354-R358 PolarHBondContact O-N 3.12Å; L355-R358 WeakPolarHBondContact O-CB 3.34Å; L355-R358 PolarHBondContact O-N 3.12Å; R358-S360 VanDerWaalsContact C-N 3.33Å; R358-S360 PolarHBondContact O-N 3.07Å; R358-L361 PolarHBondContact O-N 3.43Å; R358-E362 WeakPolarHBondContact CD-OE1 3.47Å; R358-E362 HydrophobicContact CG-CG 4.23Å; R358-E362 VanDerWaalsContact CG-OE1 3.24Å; R358-E362 WeakPolarHBondContact CG-OE1 3.41Å; R358-E362 WeakPolarHBondContact O-CB 3.33Å; R358-E362 WeakPolarHBondContact O-CG 3.48Å; R358-E362 PolarHBondContact O-N 2.74Å; R358-I379 HydrophobicContact CG-CD1 4.26Å; R358-V382 HydrophobicContact CB-CG1 3.93Å; R358-Y383 HydrophobicContact CG-CE1 4.04Å; R358-L386 HydrophobicContact CB-CD1 4.15Å; R358-L386 HydrophobicContact CG-CD1 4.49Å; R358-Y402 PolarHBondContact NH1-OH 2.84Å |
| 359 | E | 96.3 | Very high | 95 | Very high | 111 Ų | 111 | 56.9 Ų | 56.9 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | -175.7 | -72.5 | 171.7 | -169.3 | 0 | 0 | 112.2 | L355 K363 | L355-E359 WeakPolarHBondContact O-CG 3.22Å; L355-E359 PolarHBondContact O-N 3.28Å; E359-K363 VanDerWaalsContact O-CB 3.32Å; E359-K363 WeakPolarHBondContact O-CB 3.45Å; E359-K363 PolarHBondContact O-N 3.05Å |
| 360 | S | 95.7 | Very high | 94.6 | Very high | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.161 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | S356 Y357 R358 D364 F365 R366 | S356-S360 WeakPolarHBondContact O-CB 3.37Å; S356-S360 PolarHBondContact O-N 2.97Å; S356-S360 VanDerWaalsContact O-N 3.11Å; Y357-S360 PolarHBondContact O-N 3.23Å; R358-S360 VanDerWaalsContact C-N 3.33Å; R358-S360 PolarHBondContact O-N 3.07Å; S360-D364 PolarHBondContact O-N 3.25Å; S360-F365 PolarHBondContact O-N 3.4Å; S360-R366 CarbonylContact C-O 3.55Å; S360-R366 VanDerWaalsContact C-O 3.3Å; S360-R366 VanDerWaalsContact CB-O 3.29Å; S360-R366 WeakPolarHBondContact CB-O 3.41Å; S360-R366 PolarHBondContact OG-O 3.34Å |
| 361 | L | 95.6 | Very high | 94 | Very high | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -75.3 | -35.4 | 180 | -73 | 168.5 | 0 | 0 | 0 | 113 | Y357 R358 K363 F365 R366 F367 E374 T378 I379 V382 | Y357-L361 VanDerWaalsContact O-CB 3.23Å; Y357-L361 WeakPolarHBondContact O-CB 3.47Å; Y357-L361 WeakPolarHBondContact O-CD1 3.37Å; Y357-L361 WeakPolarHBondContact O-CG 3.32Å; Y357-L361 PolarHBondContact O-N 3.03Å; R358-L361 PolarHBondContact O-N 3.43Å; L361-K363 VanDerWaalsContact C-N 3.34Å; L361-F365 VanDerWaalsContact O-CA 3.29Å; L361-F365 WeakPolarHBondContact O-CA 3.29Å; L361-F365 PolarHBondContact O-N 3.03Å; L361-R366 PolarHBondContact N-O 3.39Å; L361-F367 HydrophobicContact CD1-CD1 4.41Å; L361-F367 HydrophobicContact CD1-CE1 3.95Å; L361-F367 HydrophobicContact CD1-CZ 4.16Å; L361-E374 HydrophobicContact CD2-CB 3.8Å; L361-E374 HydrophobicContact CD2-CG 3.67Å; L361-T378 HydrophobicContact CD1-CG2 4.05Å; L361-T378 HydrophobicContact CD2-CG2 4.3Å; L361-I379 HydrophobicContact CB-CB 4.27Å; L361-I379 HydrophobicContact CB-CD1 3.7Å; L361-I379 HydrophobicContact CB-CG1 4.45Å; L361-I379 HydrophobicContact CD1-CD1 4.26Å; L361-V382 HydrophobicContact CD1-CG2 3.75Å |
| 362 | E | 94.5 | Very high | 93.6 | Very high | 83 Ų | 83 | 68.2 Ų | 68.2 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.9 | -36.8 | 174.8 | -76.6 | 175.8 | -178.6 | 0 | 0 | 111.6 | R358 I379 Y383 | R358-E362 WeakPolarHBondContact CD-OE1 3.47Å; R358-E362 HydrophobicContact CG-CG 4.23Å; R358-E362 VanDerWaalsContact CG-OE1 3.24Å; R358-E362 WeakPolarHBondContact CG-OE1 3.41Å; R358-E362 WeakPolarHBondContact O-CB 3.33Å; R358-E362 WeakPolarHBondContact O-CG 3.48Å; R358-E362 PolarHBondContact O-N 2.74Å; E362-I379 HydrophobicContact CG-CD1 4.07Å; E362-Y383 WeakPolarHBondContact OE1-CE1 3.49Å; E362-Y383 PolarHBondContact OE1-OH 2.8Å |
| 363 | K | 93.4 | Very high | 93.3 | Very high | 157 Ų | 157 | 65.9 Ų | 65.9 | 68% | 0.683 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -85.9 | -53.7 | -176.5 | -173.6 | -169.8 | 168.5 | -164.3 | 0 | 113.1 | E359 L361 | E359-K363 VanDerWaalsContact O-CB 3.32Å; E359-K363 WeakPolarHBondContact O-CB 3.45Å; E359-K363 PolarHBondContact O-N 3.05Å; L361-K363 VanDerWaalsContact C-N 3.34Å |
| 364 | D | 91.6 | Very high | 93.2 | Very high | 84 Ų | 84 | 66 Ų | 66 | 45% | 0.449 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -114.9 | -4.7 | -166 | -61.5 | -45.5 | 0 | 0 | 0 | 112.5 | S360 R366 | S360-D364 PolarHBondContact O-N 3.25Å; D364-R366 WeakPolarHBondContact O-CG 3.42Å; D364-R366 PolarHBondContact O-N 3.12Å |
| 365 | F | 93.6 | Very high | 93.1 | Very high | 117 Ų | 117 | 68.4 Ų | 68.4 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 57.8 | 30.7 | -173.5 | -54.5 | -87.7 | 0 | 0 | 0 | 113.4 | S360 L361 V373 E374 | S360-F365 PolarHBondContact O-N 3.4Å; L361-F365 VanDerWaalsContact O-CA 3.29Å; L361-F365 WeakPolarHBondContact O-CA 3.29Å; L361-F365 PolarHBondContact O-N 3.03Å; F365-V373 HydrophobicContact CB-CG1 3.93Å; F365-V373 WeakPolarHBondContact O-CA 3.47Å; F365-E374 WeakPolarHBondContact O-CB 3.37Å; F365-E374 PolarHBondContact O-N 3.19Å |
| 366 | R | 93.6 | Very high | 92.8 | Very high | 90 Ų | 90 | 70.7 Ų | 70.7 | 34% | 0.34 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -135.2 | 156 | 180 | -54.7 | -174.9 | -175.8 | -176 | -5.2 | 111.3 | S360 L361 D364 E370 N371 E372 V373 | S360-R366 CarbonylContact C-O 3.55Å; S360-R366 VanDerWaalsContact C-O 3.3Å; S360-R366 VanDerWaalsContact CB-O 3.29Å; S360-R366 WeakPolarHBondContact CB-O 3.41Å; S360-R366 PolarHBondContact OG-O 3.34Å; L361-R366 PolarHBondContact N-O 3.39Å; D364-R366 WeakPolarHBondContact O-CG 3.42Å; D364-R366 PolarHBondContact O-N 3.12Å; R366-E370 WeakPolarHBondContact CD-O 3.42Å; R366-N371 PolarHBondContact NE-O 3.34Å; R366-N371 PolarHBondContact NH1-O 2.89Å; R366-N371 VanDerWaalsContact NH1-O 3.09Å; R366-E372 VanDerWaalsContact CG-O 3.31Å; R366-E372 WeakPolarHBondContact CG-O 3.31Å; R366-V373 HydrophobicContact CG-CG2 4.44Å |
| 367 | F | 93.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 71.4 Ų | 71.4 | 0% | 0.004 | 39% | 0.39 | C | S | . | . | trans | -72.7 | 151.8 | 164.1 | -75.4 | -74.6 | 0 | 0 | 0 | 111.1 | I323 L326 R327 Y357 L361 G369 E370 E374 T378 | I323-F367 HydrophobicContact CD1-CB 4.35Å; I323-F367 HydrophobicContact CD1-CD1 4.24Å; I323-F367 HydrophobicContact CD1-CG 4.19Å; I323-F367 HydrophobicContact CG1-CD1 3.89Å; I323-F367 HydrophobicContact CG1-CD2 4.42Å; I323-F367 HydrophobicContact CG1-CE1 3.95Å; I323-F367 HydrophobicContact CG1-CE2 4.48Å; I323-F367 HydrophobicContact CG1-CG 4.12Å; I323-F367 HydrophobicContact CG1-CZ 4.25Å; I323-F367 HydrophobicContact CG2-CD2 3.84Å; I323-F367 HydrophobicContact CG2-CE2 3.76Å; I323-F367 HydrophobicContact CG2-CG 4.34Å; I323-F367 HydrophobicContact CG2-CZ 4.21Å; L326-F367 HydrophobicContact CB-CZ 4.24Å; L326-F367 HydrophobicContact CD1-CE1 4.3Å; L326-F367 HydrophobicContact CD1-CZ 4.36Å; R327-F367 HydrophobicContact CG-CE2 3.89Å; Y357-F367 AromaticContact CD1-CD1 3.78Å; Y357-F367 HydrophobicContact CD1-CD1 3.78Å; Y357-F367 HydrophobicContact CD1-CE1 4.29Å; Y357-F367 HydrophobicContact CD2-CD1 4.09Å; Y357-F367 AromaticContact CD2-CE1 3.77Å; Y357-F367 HydrophobicContact CD2-CE1 3.77Å; Y357-F367 HydrophobicContact CE1-CD1 4.17Å; Y357-F367 HydrophobicContact CE2-CD1 4.46Å; Y357-F367 HydrophobicContact CE2-CE1 4.27Å; Y357-F367 AromaticContact CG-CD1 3.73Å; Y357-F367 HydrophobicContact CG-CD1 3.73Å; Y357-F367 AromaticContact CG-CE1 3.77Å; Y357-F367 HydrophobicContact CG-CE1 3.77Å; L361-F367 HydrophobicContact CD1-CD1 4.41Å; L361-F367 HydrophobicContact CD1-CE1 3.95Å; L361-F367 HydrophobicContact CD1-CZ 4.16Å; F367-G369 PolarHBondContact O-N 3.35Å; F367-E370 HydrophobicContact CB-CB 4.49Å; F367-E370 HydrophobicContact CB-CG 4.42Å; F367-E370 PolarHBondContact O-N 3.2Å; F367-E370 VanDerWaalsContact O-N 3.11Å; F367-E374 HydrophobicContact CD2-CG 3.86Å; F367-E374 WeakPolarHBondContact CD2-OE1 3.41Å; F367-E374 HydrophobicContact CE2-CG 3.95Å; F367-T378 HydrophobicContact CE2-CG2 3.52Å; F367-T378 HydrophobicContact CZ-CG2 3.44Å; F367-T378 VanDerWaalsContact CZ-CG2 3.44Å | ||
| 368 | P | 91 | Very high | 92.6 | Very high | 61 Ų | 61 | 71.2 Ų | 71.2 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 126.2 | 177.5 | -24.7 | 33.4 | 0 | 0 | 0 | 112.1 | Y357 E370 | Y357-P368 HydrophobicContact CD1-CG 3.91Å; Y357-P368 HydrophobicContact CE1-CG 4.33Å; P368-E370 VanDerWaalsContact C-N 3.31Å; P368-E370 PolarHBondContact O-N 3.12Å |
| 369 | G | 86 | Confident | 92.6 | Very high | 88 Ų | 88 | 70 Ų | 70 | 91% | 0.907 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 1.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F367 | F367-G369 PolarHBondContact O-N 3.35Š|
| 370 | E | 87.3 | Confident | 92.6 | Very high | 64 Ų | 64 | 65 Ų | 65 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | trans | -105.6 | 150 | 176.8 | -63.8 | -156.2 | -147.6 | 0 | 0 | 112.5 | R327 R366 F367 P368 | R327-E370 IonicContact CZ-OE1 3.68Å; R327-E370 IonicContact CZ-OE2 3.38Å; R327-E370 IonicContact NH1-OE1 3.27Å; R327-E370 PolarHBondContact NH1-OE1 3.43Å; R327-E370 IonicContact NH1-OE2 3.23Å; R327-E370 PolarHBondContact NH1-OE2 3.07Å; R327-E370 IonicContact NH2-OE1 3.27Å; R327-E370 PolarHBondContact NH2-OE1 3.27Å; R327-E370 IonicContact NH2-OE2 2.64Å; R327-E370 PolarHBondContact NH2-OE2 3.47Å; R366-E370 WeakPolarHBondContact CD-O 3.42Å; F367-E370 HydrophobicContact CB-CB 4.49Å; F367-E370 HydrophobicContact CB-CG 4.42Å; F367-E370 PolarHBondContact O-N 3.2Å; F367-E370 VanDerWaalsContact O-N 3.11Å; P368-E370 VanDerWaalsContact C-N 3.31Å; P368-E370 PolarHBondContact O-N 3.12Å | ||
| 371 | N | 86.2 | Confident | 92.7 | Very high | 141 Ų | 141 | 65.2 Ų | 65.2 | 75% | 0.754 | 36% | 0.36 | S | S | * | . | trans | -96.3 | -14.3 | -179.6 | -70.3 | -34.6 | 0 | 0 | 0 | 113.4 | R366 | R366-N371 PolarHBondContact NE-O 3.34Å; R366-N371 PolarHBondContact NH1-O 2.89Å; R366-N371 VanDerWaalsContact NH1-O 3.09Å | ||
| 372 | E | 88 | Confident | 92.8 | Very high | 127 Ų | 127 | 65 Ų | 65 | 59% | 0.593 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -80.6 | 132.3 | -176.4 | -170.2 | 172.2 | -176 | 0 | 0 | 110.9 | R366 | R366-E372 VanDerWaalsContact CG-O 3.31Å; R366-E372 WeakPolarHBondContact CG-O 3.31Å |
| 373 | V | 92.1 | Very high | 92.9 | Very high | 88 Ų | 88 | 62.3 Ų | 62.3 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 126.6 | 174.1 | 177.4 | 0 | 0 | 0 | 0 | 109 | F365 R366 | F365-V373 HydrophobicContact CB-CG1 3.93Å; F365-V373 WeakPolarHBondContact O-CA 3.47Å; R366-V373 HydrophobicContact CG-CG2 4.44Å |
| 374 | E | 94.3 | Very high | 93.1 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 154.3 | -177.8 | -70.2 | -63.7 | 153.4 | 0 | 0 | 112.7 | R327 L361 F365 F367 T378 | R327-E374 WeakPolarHBondContact CG-OE2 3.35Å; R327-E374 IonicContact CZ-OE1 3.13Å; R327-E374 IonicContact NE-OE1 2.7Å; R327-E374 PolarHBondContact NE-OE1 2.81Å; R327-E374 IonicContact NE-OE2 3.69Å; R327-E374 IonicContact NH2-OE1 2.67Å; R327-E374 PolarHBondContact NH2-OE1 3.08Å; L361-E374 HydrophobicContact CD2-CB 3.8Å; L361-E374 HydrophobicContact CD2-CG 3.67Å; F365-E374 WeakPolarHBondContact O-CB 3.37Å; F365-E374 PolarHBondContact O-N 3.19Å; F367-E374 HydrophobicContact CD2-CG 3.86Å; F367-E374 WeakPolarHBondContact CD2-OE1 3.41Å; F367-E374 HydrophobicContact CE2-CG 3.95Å; E374-T378 HydrophobicContact CB-CG2 4.2Å; E374-T378 HydrophobicContact CG-CG2 4.15Å; E374-T378 PolarHBondContact OE2-OG1 3.31Å |
| 375 | A | 93.6 | Very high | 93.5 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 148.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S377 T378 | A375-S377 PolarHBondContact O-N 3.21Å; A375-T378 VanDerWaalsContact O-CB 3.28Å; A375-T378 WeakPolarHBondContact O-CB 3.06Å; A375-T378 PolarHBondContact O-N 3Å; A375-T378 PolarHBondContact O-OG1 3Å |
| 376 | P | 91.8 | Very high | 93.7 | Very high | 85 Ų | 85 | 46.1 Ų | 46.1 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.4 | -24.4 | 174.6 | -25 | 33.8 | 0 | 0 | 0 | 113.5 | T378 I379 H409 | P376-T378 PolarHBondContact O-N 3.4Å; P376-I379 WeakPolarHBondContact O-CG2 3.48Å; P376-H409 PolarHBondContact O-CE1 3.23Å; P376-H409 VanDerWaalsContact O-CE1 3.23Å; P376-H409 PolarHBondContact O-NE2 3.44Å |
| 377 | S | 93.5 | Very high | 93.9 | Very high | 54 Ų | 54 | 41.9 Ų | 41.9 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.8 | -26.1 | 172.8 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | A375 L380 W381 | A375-S377 PolarHBondContact O-N 3.21Å; S377-L380 VanDerWaalsContact O-CB 3.3Å; S377-L380 WeakPolarHBondContact O-CB 3.22Å; S377-L380 PolarHBondContact O-N 2.99Å; S377-W381 PolarHBondContact O-N 3.08Å |
| 378 | T | 95.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | -177.5 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | L361 F367 E374 A375 P376 L380 W381 V382 | L361-T378 HydrophobicContact CD1-CG2 4.05Å; L361-T378 HydrophobicContact CD2-CG2 4.3Å; F367-T378 HydrophobicContact CE2-CG2 3.52Å; F367-T378 HydrophobicContact CZ-CG2 3.44Å; F367-T378 VanDerWaalsContact CZ-CG2 3.44Å; E374-T378 HydrophobicContact CB-CG2 4.2Å; E374-T378 HydrophobicContact CG-CG2 4.15Å; E374-T378 PolarHBondContact OE2-OG1 3.31Å; A375-T378 VanDerWaalsContact O-CB 3.28Å; A375-T378 WeakPolarHBondContact O-CB 3.06Å; A375-T378 PolarHBondContact O-N 3Å; A375-T378 PolarHBondContact O-OG1 3Å; P376-T378 PolarHBondContact O-N 3.4Å; T378-L380 VanDerWaalsContact C-N 3.32Å; T378-L380 PolarHBondContact O-N 3.43Å; T378-W381 PolarHBondContact O-N 3.23Å; T378-V382 PolarHBondContact O-N 3.35Å |
| 379 | I | 96.4 | Very high | 94.5 | Very high | 15 Ų | 15 | 39.2 Ų | 39.2 | 8% | 0.077 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -35.9 | 176.8 | -176.3 | 69.6 | 0 | 0 | 0 | 111.8 | R358 L361 E362 P376 W381 V382 Y383 | R358-I379 HydrophobicContact CG-CD1 4.26Å; L361-I379 HydrophobicContact CB-CB 4.27Å; L361-I379 HydrophobicContact CB-CD1 3.7Å; L361-I379 HydrophobicContact CB-CG1 4.45Å; L361-I379 HydrophobicContact CD1-CD1 4.26Å; E362-I379 HydrophobicContact CG-CD1 4.07Å; P376-I379 WeakPolarHBondContact O-CG2 3.48Å; I379-W381 VanDerWaalsContact C-N 3.27Å; I379-W381 PolarHBondContact O-N 3.33Å; I379-V382 HydrophobicContact CD1-CB 4.34Å; I379-V382 WeakPolarHBondContact O-CA 3.15Å; I379-V382 WeakPolarHBondContact O-CB 3.27Å; I379-V382 PolarHBondContact O-N 2.79Å; I379-Y383 HydrophobicContact CD1-CD1 4.49Å; I379-Y383 HydrophobicContact CD1-CE1 3.94Å; I379-Y383 HydrophobicContact CG1-CD2 4.28Å; I379-Y383 HydrophobicContact CG1-CE1 4Å; I379-Y383 HydrophobicContact CG1-CE2 3.69Å; I379-Y383 PolarHBondContact O-N 3.28Å |
| 380 | L | 96.9 | Very high | 95 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.3 | -43.5 | 175 | -179.1 | 66.1 | 0 | 0 | 0 | 111.8 | S377 T378 V382 Y383 Y384 G406 H409 T410 L413 L416 | S377-L380 VanDerWaalsContact O-CB 3.3Å; S377-L380 WeakPolarHBondContact O-CB 3.22Å; S377-L380 PolarHBondContact O-N 2.99Å; T378-L380 VanDerWaalsContact C-N 3.32Å; T378-L380 PolarHBondContact O-N 3.43Å; L380-V382 VanDerWaalsContact C-N 3.33Å; L380-Y383 PolarHBondContact O-N 3.01Å; L380-Y384 WeakPolarHBondContact O-CB 3.49Å; L380-Y384 PolarHBondContact O-N 3.06Å; L380-G406 VanDerWaalsContact CD1-O 3.31Å; L380-G406 WeakPolarHBondContact CD1-O 3.41Å; L380-H409 HydrophobicContact CD1-CB 4.34Å; L380-T410 HydrophobicContact CD2-CG2 4.16Å; L380-L413 HydrophobicContact CD2-CD2 3.8Å; L380-L413 HydrophobicContact CG-CD2 4.23Å; L380-L416 HydrophobicContact CD1-CD1 4.06Å |
| 381 | W | 97.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 33 Ų | 33 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.8 | -24.9 | 178.1 | -69.9 | 107.1 | 0 | 0 | 0 | 113.2 | L326 G329 A331 S377 T378 I379 Y384 Y385 L413 | L326-W381 HydrophobicContact CD2-CB 3.97Å; G329-W381 WeakPolarHBondContact O-CZ2 3.23Å; A331-W381 VanDerWaalsContact CA-CZ3 3.48Å; A331-W381 HydrophobicContact CB-CH2 3.87Å; A331-W381 HydrophobicContact CB-CZ3 3.98Å; S377-W381 PolarHBondContact O-N 3.08Å; T378-W381 PolarHBondContact O-N 3.23Å; I379-W381 VanDerWaalsContact C-N 3.27Å; I379-W381 PolarHBondContact O-N 3.33Å; W381-Y384 AromaticContact CE3-CD1 3.62Å; W381-Y384 HydrophobicContact CE3-CD1 3.62Å; W381-Y384 HydrophobicContact CE3-CE1 4.24Å; W381-Y384 HydrophobicContact CE3-CG 4.12Å; W381-Y384 AromaticContact CZ3-CD1 3.66Å; W381-Y384 HydrophobicContact CZ3-CD1 3.66Å; W381-Y384 AromaticContact CZ3-CE1 3.85Å; W381-Y384 HydrophobicContact CZ3-CE1 3.85Å; W381-Y384 HydrophobicContact CZ3-CG 4.2Å; W381-Y385 WeakPolarHBondContact O-CB 3.47Å; W381-Y385 PolarHBondContact O-N 3.34Å; W381-L413 HydrophobicContact CH2-CD1 4.42Å; W381-L413 HydrophobicContact CH2-CD2 4.22Å; W381-L413 HydrophobicContact CZ2-CD1 4.45Å; W381-L413 HydrophobicContact CZ2-CD2 4.3Å |
| 382 | V | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69 | -46.2 | 169.5 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | L326 R358 L361 T378 I379 L380 Y384 Y385 L386 | L326-V382 HydrophobicContact CD1-CG2 3.95Å; L326-V382 HydrophobicContact CD2-CG2 4.27Å; R358-V382 HydrophobicContact CB-CG1 3.93Å; L361-V382 HydrophobicContact CD1-CG2 3.75Å; T378-V382 PolarHBondContact O-N 3.35Å; I379-V382 HydrophobicContact CD1-CB 4.34Å; I379-V382 WeakPolarHBondContact O-CA 3.15Å; I379-V382 WeakPolarHBondContact O-CB 3.27Å; I379-V382 PolarHBondContact O-N 2.79Å; L380-V382 VanDerWaalsContact C-N 3.33Å; V382-Y384 VanDerWaalsContact C-N 3.33Å; V382-Y384 PolarHBondContact O-N 3.5Å; V382-Y385 PolarHBondContact O-N 3.31Å; V382-L386 HydrophobicContact CG1-CD1 3.98Å; V382-L386 HydrophobicContact CG1-CG 4.49Å; V382-L386 WeakPolarHBondContact O-CG 3.29Å; V382-L386 PolarHBondContact O-N 2.86Å |
| 383 | Y | 98 | Very high | 96.3 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.1 | -63.6 | -34.3 | 0 | 0 | 0 | 112 | R358 E362 I379 L380 Y385 L386 A387 Y402 K405 | R358-Y383 HydrophobicContact CG-CE1 4.04Å; E362-Y383 WeakPolarHBondContact OE1-CE1 3.49Å; E362-Y383 PolarHBondContact OE1-OH 2.8Å; I379-Y383 HydrophobicContact CD1-CD1 4.49Å; I379-Y383 HydrophobicContact CD1-CE1 3.94Å; I379-Y383 HydrophobicContact CG1-CD2 4.28Å; I379-Y383 HydrophobicContact CG1-CE1 4Å; I379-Y383 HydrophobicContact CG1-CE2 3.69Å; I379-Y383 PolarHBondContact O-N 3.28Å; L380-Y383 PolarHBondContact O-N 3.01Å; Y383-Y385 VanDerWaalsContact C-N 3.33Å; Y383-Y385 PolarHBondContact O-N 2.9Å; Y383-L386 PolarHBondContact O-N 2.81Å; Y383-A387 WeakPolarHBondContact O-CB 3.5Å; Y383-A387 PolarHBondContact O-N 3.28Å; Y383-Y402 HydrophobicContact CD1-CD1 4.04Å; Y383-K405 HydrophobicContact CD1-CB 4.43Å; Y383-K405 HydrophobicContact CD2-CB 4.14Å; Y383-K405 HydrophobicContact CE1-CB 4.46Å; Y383-K405 HydrophobicContact CE1-CD 4.35Å; Y383-K405 HydrophobicContact CE2-CB 4.18Å; Y383-K405 HydrophobicContact CG-CB 4.27Å |
| 384 | Y | 98.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 28 Ų | 28 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 176 | 179.5 | -104.9 | 0 | 0 | 0 | 112.4 | A331 L380 W381 V382 L388 E415 L416 L419 | A331-Y384 WeakPolarHBondContact O-CE1 3.49Å; L380-Y384 WeakPolarHBondContact O-CB 3.49Å; L380-Y384 PolarHBondContact O-N 3.06Å; W381-Y384 AromaticContact CE3-CD1 3.62Å; W381-Y384 HydrophobicContact CE3-CD1 3.62Å; W381-Y384 HydrophobicContact CE3-CE1 4.24Å; W381-Y384 HydrophobicContact CE3-CG 4.12Å; W381-Y384 AromaticContact CZ3-CD1 3.66Å; W381-Y384 HydrophobicContact CZ3-CD1 3.66Å; W381-Y384 AromaticContact CZ3-CE1 3.85Å; W381-Y384 HydrophobicContact CZ3-CE1 3.85Å; W381-Y384 HydrophobicContact CZ3-CG 4.2Å; V382-Y384 VanDerWaalsContact C-N 3.33Å; V382-Y384 PolarHBondContact O-N 3.5Å; Y384-L388 HydrophobicContact CD1-CD1 3.84Å; Y384-L388 HydrophobicContact CE1-CD1 3.35Å; Y384-L388 HydrophobicContact CE2-CD1 4.12Å; Y384-L388 HydrophobicContact CG-CD1 4.43Å; Y384-L388 PolarHBondContact O-N 3.22Å; Y384-L388 VanDerWaalsContact O-N 3.14Å; Y384-E415 HydrophobicContact CE2-CB 3.76Å; Y384-L416 HydrophobicContact CD2-CD2 4.01Å; Y384-L419 HydrophobicContact CD2-CD2 3.61Å; Y384-L419 HydrophobicContact CE2-CB 4.12Å; Y384-L419 HydrophobicContact CE2-CD2 3.7Å |
| 385 | Y | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -49 | 175.5 | -170.3 | -75.4 | 0 | 0 | 0 | 111.7 | L322 V333 F334 F337 Y341 I350 T354 W381 V382 Y383 A387 L388 H389 | L322-Y385 HydrophobicContact CD1-CD2 4.1Å; L322-Y385 HydrophobicContact CD1-CE2 3.81Å; V333-Y385 HydrophobicContact CB-CD2 4.48Å; V333-Y385 HydrophobicContact CG1-CD2 3.86Å; V333-Y385 HydrophobicContact CG2-CD2 3.96Å; V333-Y385 HydrophobicContact CG2-CE2 4.09Å; F334-Y385 HydrophobicContact CB-CE2 4.47Å; F334-Y385 HydrophobicContact CD2-CE2 4.46Å; F337-Y385 HydrophobicContact CD2-CE2 4.47Å; Y341-Y385 WeakPolarHBondContact OH-CE1 3.48Å; Y341-Y385 PolarHBondContact OH-OH 3.28Å; I350-Y385 HydrophobicContact CG2-CE1 3.79Å; I350-Y385 WeakPolarHBondContact CG2-OH 3.43Å; T354-Y385 HydrophobicContact CG2-CD1 3.76Å; T354-Y385 HydrophobicContact CG2-CE1 3.78Å; W381-Y385 WeakPolarHBondContact O-CB 3.47Å; W381-Y385 PolarHBondContact O-N 3.34Å; V382-Y385 PolarHBondContact O-N 3.31Å; Y383-Y385 VanDerWaalsContact C-N 3.33Å; Y383-Y385 PolarHBondContact O-N 2.9Å; Y385-A387 VanDerWaalsContact C-N 3.33Å; Y385-A387 PolarHBondContact O-N 3.36Å; Y385-L388 WeakPolarHBondContact O-CB 3.37Å; Y385-L388 PolarHBondContact O-N 2.95Å; Y385-H389 HydrophobicContact CD1-CB 4.46Å; Y385-H389 HydrophobicContact CE1-CB 4.4Å; Y385-H389 WeakPolarHBondContact O-CB 3.2Å; Y385-H389 PolarHBondContact O-N 3.34Å |
| 386 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.8 | -41.7 | 179.2 | -74.8 | 168.5 | 0 | 0 | 0 | 111.5 | T354 L355 R358 V382 Y383 L388 H389 Y390 Y402 | T354-L386 WeakPolarHBondContact OG1-CD2 3.4Å; L355-L386 HydrophobicContact CD2-CD1 4.34Å; L355-L386 HydrophobicContact CD2-CD2 4.06Å; L355-L386 HydrophobicContact CG-CD2 4.35Å; R358-L386 HydrophobicContact CB-CD1 4.15Å; R358-L386 HydrophobicContact CG-CD1 4.49Å; V382-L386 HydrophobicContact CG1-CD1 3.98Å; V382-L386 HydrophobicContact CG1-CG 4.49Å; V382-L386 WeakPolarHBondContact O-CG 3.29Å; V382-L386 PolarHBondContact O-N 2.86Å; Y383-L386 PolarHBondContact O-N 2.81Å; L386-L388 VanDerWaalsContact C-N 3.34Å; L386-L388 PolarHBondContact O-N 3Å; L386-H389 WeakPolarHBondContact O-CB 3.27Å; L386-H389 PolarHBondContact O-N 3.29Å; L386-Y390 HydrophobicContact CD2-CE2 4.19Å; L386-Y390 WeakPolarHBondContact O-CD2 3.49Å; L386-Y390 PolarHBondContact O-N 3.16Å; L386-Y402 HydrophobicContact CB-CD1 3.99Å; L386-Y402 HydrophobicContact CB-CD2 3.95Å; L386-Y402 HydrophobicContact CB-CE1 4.3Å; L386-Y402 HydrophobicContact CB-CE2 4.29Å; L386-Y402 HydrophobicContact CB-CG 3.79Å; L386-Y402 HydrophobicContact CD1-CD1 3.91Å; L386-Y402 HydrophobicContact CD1-CE1 3.56Å |
| 387 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y383 Y385 D391 V403 L419 | Y383-A387 WeakPolarHBondContact O-CB 3.5Å; Y383-A387 PolarHBondContact O-N 3.28Å; Y385-A387 VanDerWaalsContact C-N 3.33Å; Y385-A387 PolarHBondContact O-N 3.36Å; A387-D391 VanDerWaalsContact O-CB 3.31Å; A387-D391 WeakPolarHBondContact O-CB 3.4Å; A387-D391 PolarHBondContact O-N 3.13Å; A387-V403 HydrophobicContact CB-CB 4Å; A387-L419 HydrophobicContact CB-CD2 3.55Å; A387-L419 HydrophobicContact CB-CG 4.43Å |
| 388 | L | 98 | Very high | 96.8 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.3 | -37.3 | 173.8 | -79.3 | 164 | 0 | 0 | 0 | 112.9 | F334 Y384 Y385 L386 Y392 L419 | F334-L388 HydrophobicContact CB-CB 4.03Å; F334-L388 HydrophobicContact CB-CD1 3.59Å; F334-L388 HydrophobicContact CB-CG 4.36Å; F334-L388 HydrophobicContact CD1-CB 4.14Å; F334-L388 HydrophobicContact CD1-CD2 4.43Å; F334-L388 HydrophobicContact CD2-CB 3.64Å; F334-L388 HydrophobicContact CE2-CB 4.14Å; F334-L388 HydrophobicContact CG-CB 3.65Å; F334-L388 HydrophobicContact CG-CD1 4.08Å; F334-L388 HydrophobicContact CG-CG 4.34Å; Y384-L388 HydrophobicContact CD1-CD1 3.84Å; Y384-L388 HydrophobicContact CE1-CD1 3.35Å; Y384-L388 HydrophobicContact CE2-CD1 4.12Å; Y384-L388 HydrophobicContact CG-CD1 4.43Å; Y384-L388 PolarHBondContact O-N 3.22Å; Y384-L388 VanDerWaalsContact O-N 3.14Å; Y385-L388 WeakPolarHBondContact O-CB 3.37Å; Y385-L388 PolarHBondContact O-N 2.95Å; L386-L388 VanDerWaalsContact C-N 3.34Å; L386-L388 PolarHBondContact O-N 3Å; L388-Y392 WeakPolarHBondContact O-CB 3.4Å; L388-Y392 PolarHBondContact O-N 3.35Å; L388-L419 HydrophobicContact CD2-CD1 3.46Å; L388-L419 VanDerWaalsContact CD2-CD1 3.46Å; L388-L419 HydrophobicContact CD2-CD2 4.38Å; L388-L419 HydrophobicContact CG-CD1 3.84Å; L388-L419 HydrophobicContact CG-CD2 3.85Å |
| 389 | H | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -53.6 | 176.3 | 173.8 | 91.2 | 0 | 0 | 0 | 111.2 | F334 Y341 E351 Y385 L386 D391 Y392 L393 | F334-H389 HydrophobicContact CE2-CB 4.44Å; Y341-H389 AromaticContact CE1-ND1 3.35Å; Y341-H389 WeakPolarHBondContact CE1-ND1 3.5Å; Y341-H389 AromaticContact CZ-ND1 3.51Å; Y341-H389 PolarHBondContact OH-ND1 3.38Å; E351-H389 IonicContact OE2-NE2 3.61Å; E351-H389 PolarHBondContact OE2-NE2 2.92Å; Y385-H389 HydrophobicContact CD1-CB 4.46Å; Y385-H389 HydrophobicContact CE1-CB 4.4Å; Y385-H389 WeakPolarHBondContact O-CB 3.2Å; Y385-H389 PolarHBondContact O-N 3.34Å; L386-H389 WeakPolarHBondContact O-CB 3.27Å; L386-H389 PolarHBondContact O-N 3.29Å; H389-D391 PolarHBondContact O-N 3.12Å; H389-Y392 WeakPolarHBondContact O-CB 3.25Å; H389-Y392 PolarHBondContact O-N 3.46Å; H389-L393 VanDerWaalsContact NE2-CD1 3.32Å; H389-L393 WeakPolarHBondContact NE2-CD1 3.18Å; H389-L393 PolarHBondContact O-N 3.19Å |
| 390 | Y | 98.1 | Very high | 97 | Very high | 14 Ų | 14 | 32 Ų | 32 | 6% | 0.055 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.2 | -32.5 | 179.2 | -70.4 | -61.7 | 0 | 0 | 0 | 113.1 | E351 L386 Y392 L393 S394 N395 E398 Y402 | E351-Y390 WeakPolarHBondContact OE1-CE1 3.23Å; E351-Y390 PolarHBondContact OE1-OH 3.18Å; L386-Y390 HydrophobicContact CD2-CE2 4.19Å; L386-Y390 WeakPolarHBondContact O-CD2 3.49Å; L386-Y390 PolarHBondContact O-N 3.16Å; Y390-Y392 VanDerWaalsContact C-N 3.3Å; Y390-Y392 PolarHBondContact O-N 2.97Å; Y390-L393 HydrophobicContact CD1-CD1 4.48Å; Y390-L393 CarbonylContact O-C 3.21Å; Y390-L393 PolarHBondContact O-N 3.46Å; Y390-S394 PolarHBondContact O-N 2.82Å; Y390-S394 VanDerWaalsContact O-N 3.14Å; Y390-N395 HydrophobicContact CD1-CB 4.16Å; Y390-N395 PolarHBondContact O-N 2.85Å; Y390-E398 HydrophobicContact CD1-CB 3.96Å; Y390-E398 HydrophobicContact CD1-CG 4.46Å; Y390-E398 HydrophobicContact CD2-CB 3.79Å; Y390-E398 HydrophobicContact CE1-CB 4.41Å; Y390-E398 HydrophobicContact CE2-CB 4.26Å; Y390-E398 HydrophobicContact CG-CB 3.64Å; Y390-Y402 AromaticContact CD2-CD2 3.66Å; Y390-Y402 HydrophobicContact CD2-CD2 3.66Å; Y390-Y402 AromaticContact CD2-CE2 3.67Å; Y390-Y402 HydrophobicContact CD2-CE2 3.67Å; Y390-Y402 AromaticContact CE2-CD2 3.8Å; Y390-Y402 HydrophobicContact CE2-CD2 3.8Å; Y390-Y402 AromaticContact CE2-CE2 3.3Å; Y390-Y402 HydrophobicContact CE2-CE2 3.3Å |
| 391 | D | 97.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 170 | 179.8 | 47.5 | 0 | 0 | 0 | 111.3 | A387 H389 S394 A399 R422 I423 H426 | A387-D391 VanDerWaalsContact O-CB 3.31Å; A387-D391 WeakPolarHBondContact O-CB 3.4Å; A387-D391 PolarHBondContact O-N 3.13Å; H389-D391 PolarHBondContact O-N 3.12Å; D391-S394 PolarHBondContact O-N 3.08Å; D391-S394 VanDerWaalsContact O-N 3.16Å; D391-A399 HydrophobicContact CB-CB 4.32Å; D391-R422 VanDerWaalsContact OD2-CD 3.31Å; D391-R422 WeakPolarHBondContact OD2-CD 3.1Å; D391-I423 HydrophobicContact CB-CG1 3.95Å; D391-H426 VanDerWaalsContact CG-ND1 3.32Å; D391-H426 IonicContact OD1-CE1 4Å; D391-H426 IonicContact OD1-CG 2.84Å; D391-H426 IonicContact OD1-ND1 3.74Å; D391-H426 PolarHBondContact OD1-ND1 3.06Å; D391-H426 IonicContact OD2-CE1 3.55Å; D391-H426 PolarHBondContact OD2-CE1 3.11Å; D391-H426 IonicContact OD2-ND1 3.76Å; D391-H426 PolarHBondContact OD2-ND1 2.77Å |
| 392 | Y | 96.1 | Very high | 97.1 | Very high | 97 Ų | 97 | 34.7 Ų | 34.7 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.3 | -40.7 | 178.1 | -168.8 | -86.1 | 0 | 0 | 0 | 112.2 | F334 R338 Y341 L388 H389 Y390 S394 | F334-Y392 HydrophobicContact CE1-CD2 4.16Å; F334-Y392 AromaticContact CZ-CD2 3.89Å; F334-Y392 HydrophobicContact CZ-CD2 3.89Å; F334-Y392 AromaticContact CZ-CG 3.92Å; F334-Y392 HydrophobicContact CZ-CG 3.92Å; R338-Y392 HydrophobicContact CG-CE2 4Å; Y341-Y392 VanDerWaalsContact CB-CE1 3.48Å; Y341-Y392 AromaticContact CD1-CD1 3.49Å; Y341-Y392 HydrophobicContact CD1-CD1 3.49Å; Y341-Y392 VanDerWaalsContact CD1-CD1 3.49Å; Y341-Y392 AromaticContact CD1-CE1 3.87Å; Y341-Y392 HydrophobicContact CD1-CE1 3.87Å; Y341-Y392 HydrophobicContact CD1-CG 4.03Å; Y341-Y392 HydrophobicContact CE1-CD1 4.35Å; Y341-Y392 HydrophobicContact CG-CD1 4.15Å; Y341-Y392 HydrophobicContact CG-CE1 4.09Å; L388-Y392 WeakPolarHBondContact O-CB 3.4Å; L388-Y392 PolarHBondContact O-N 3.35Å; H389-Y392 WeakPolarHBondContact O-CB 3.25Å; H389-Y392 PolarHBondContact O-N 3.46Å; Y390-Y392 VanDerWaalsContact C-N 3.3Å; Y390-Y392 PolarHBondContact O-N 2.97Å; Y392-S394 PolarHBondContact O-N 3.11Å |
| 393 | L | 94.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 34.6 Ų | 34.6 | 40% | 0.398 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -1.1 | 174.5 | -68.8 | -176.9 | 0 | 0 | 0 | 113.9 | V347 H389 Y390 N395 | V347-L393 HydrophobicContact CG1-CD1 4.24Å; V347-L393 HydrophobicContact CG1-CD2 4Å; V347-L393 HydrophobicContact CG1-CG 4.49Å; H389-L393 VanDerWaalsContact NE2-CD1 3.32Å; H389-L393 WeakPolarHBondContact NE2-CD1 3.18Å; H389-L393 PolarHBondContact O-N 3.19Å; Y390-L393 HydrophobicContact CD1-CD1 4.48Å; Y390-L393 CarbonylContact O-C 3.21Å; Y390-L393 PolarHBondContact O-N 3.46Å; L393-N395 PolarHBondContact O-N 3.42Å |
| 394 | S | 93.5 | Very high | 97.2 | Very high | 78 Ų | 78 | 35.7 Ų | 35.7 | 55% | 0.545 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 21 | -174.1 | -53.1 | 0 | 0 | 0 | 0 | 114 | Y390 D391 Y392 F396 | Y390-S394 PolarHBondContact O-N 2.82Å; Y390-S394 VanDerWaalsContact O-N 3.14Å; D391-S394 PolarHBondContact O-N 3.08Å; D391-S394 VanDerWaalsContact O-N 3.16Å; Y392-S394 PolarHBondContact O-N 3.11Å; S394-F396 PolarHBondContact O-N 3.19Å |
| 395 | N | 94.8 | Very high | 97.1 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 34% | 0.342 | 19% | 0.185 | S | C | . | . | trans | -89.2 | 82.4 | 169.1 | -172.2 | -10.1 | 0 | 0 | 0 | 109.4 | Y390 L393 Q397 E398 A399 | Y390-N395 HydrophobicContact CD1-CB 4.16Å; Y390-N395 PolarHBondContact O-N 2.85Å; L393-N395 PolarHBondContact O-N 3.42Å; N395-Q397 VanDerWaalsContact C-N 3.32Å; N395-Q397 PolarHBondContact O-N 3.17Å; N395-E398 WeakPolarHBondContact ND2-CG 3.42Å; N395-A399 WeakPolarHBondContact O-CB 2.96Å; N395-A399 PolarHBondContact O-N 3.06Å; N395-A399 VanDerWaalsContact O-N 3.15Å | ||
| 396 | F | 95.3 | Very high | 97.1 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 13% | 0.132 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.3 | -22.6 | -171.2 | -52.4 | -58.2 | 0 | 0 | 0 | 114.1 | S394 L400 I423 H426 A427 L833 | S394-F396 PolarHBondContact O-N 3.19Å; F396-L400 WeakPolarHBondContact O-CB 3.44Å; F396-L400 VanDerWaalsContact O-CG 3.24Å; F396-L400 WeakPolarHBondContact O-CG 3.35Å; F396-L400 PolarHBondContact O-N 2.81Å; F396-I423 HydrophobicContact CB-CG2 4.21Å; F396-I423 HydrophobicContact CD1-CG2 4.2Å; F396-H426 HydrophobicContact CD1-CB 4.5Å; F396-H426 HydrophobicContact CE1-CB 3.63Å; F396-H426 HydrophobicContact CZ-CB 4.13Å; F396-A427 HydrophobicContact CB-CB 4.12Å; F396-A427 HydrophobicContact CD1-CB 4.08Å; F396-A427 HydrophobicContact CD2-CB 3.66Å; F396-A427 HydrophobicContact CE1-CB 4.46Å; F396-A427 HydrophobicContact CE2-CB 4.08Å; F396-A427 HydrophobicContact CG-CB 3.67Å; F396-A427 HydrophobicContact CZ-CB 4.45Å; F396-L833 HydrophobicContact CB-CD1 3.86Å |
| 397 | Q | 95.7 | Very high | 97.1 | Very high | 135 Ų | 135 | 38.4 Ų | 38.4 | 63% | 0.631 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -70 | -53.6 | 179 | -73.2 | 178.9 | -14.7 | 0 | 0 | 110.5 | N395 A399 L400 E401 | N395-Q397 VanDerWaalsContact C-N 3.32Å; N395-Q397 PolarHBondContact O-N 3.17Å; Q397-A399 VanDerWaalsContact C-N 3.31Å; Q397-A399 PolarHBondContact O-N 2.93Å; Q397-L400 PolarHBondContact O-N 3.34Å; Q397-L400 VanDerWaalsContact O-N 3.13Å; Q397-E401 PolarHBondContact O-N 3.33Å |
| 398 | E | 96.6 | Very high | 97 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 174.8 | -66.3 | -60.9 | 147.4 | 0 | 0 | 111.2 | Y390 N395 L400 E401 Y402 | Y390-E398 HydrophobicContact CD1-CB 3.96Å; Y390-E398 HydrophobicContact CD1-CG 4.46Å; Y390-E398 HydrophobicContact CD2-CB 3.79Å; Y390-E398 HydrophobicContact CE1-CB 4.41Å; Y390-E398 HydrophobicContact CE2-CB 4.26Å; Y390-E398 HydrophobicContact CG-CB 3.64Å; N395-E398 WeakPolarHBondContact ND2-CG 3.42Å; E398-L400 VanDerWaalsContact C-N 3.27Å; E398-L400 PolarHBondContact O-N 3.37Å; E398-E401 WeakPolarHBondContact O-CB 3.47Å; E398-E401 PolarHBondContact O-N 3.31Å; E398-E401 VanDerWaalsContact O-N 3.11Å; E398-Y402 WeakPolarHBondContact O-CD2 3.47Å; E398-Y402 PolarHBondContact O-N 3.25Å |
| 399 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.4 | -39.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D391 N395 Q397 V403 I423 | D391-A399 HydrophobicContact CB-CB 4.32Å; N395-A399 WeakPolarHBondContact O-CB 2.96Å; N395-A399 PolarHBondContact O-N 3.06Å; N395-A399 VanDerWaalsContact O-N 3.15Å; Q397-A399 VanDerWaalsContact C-N 3.31Å; Q397-A399 PolarHBondContact O-N 2.93Å; A399-V403 WeakPolarHBondContact O-CG1 3.4Å; A399-V403 PolarHBondContact O-N 3.04Å; A399-V403 VanDerWaalsContact O-N 3.13Å; A399-I423 HydrophobicContact CB-CD1 3.79Å; A399-I423 HydrophobicContact CB-CG1 4.05Å; A399-I423 HydrophobicContact CB-CG2 4.19Å |
| 400 | L | 98.3 | Very high | 96.8 | Very high | 19 Ų | 19 | 51 Ų | 51 | 10% | 0.099 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.6 | -38 | 175.9 | -77.2 | 172.9 | 0 | 0 | 0 | 112.1 | F396 Q397 E398 V403 N404 K420 I423 Y424 L833 | F396-L400 WeakPolarHBondContact O-CB 3.44Å; F396-L400 VanDerWaalsContact O-CG 3.24Å; F396-L400 WeakPolarHBondContact O-CG 3.35Å; F396-L400 PolarHBondContact O-N 2.81Å; Q397-L400 PolarHBondContact O-N 3.34Å; Q397-L400 VanDerWaalsContact O-N 3.13Å; E398-L400 VanDerWaalsContact C-N 3.27Å; E398-L400 PolarHBondContact O-N 3.37Å; L400-V403 HydrophobicContact CD2-CG1 4.38Å; L400-V403 WeakPolarHBondContact O-CG1 3.5Å; L400-N404 VanDerWaalsContact O-CB 3.29Å; L400-N404 WeakPolarHBondContact O-CB 3.46Å; L400-N404 PolarHBondContact O-N 2.96Å; L400-N404 PolarHBondContact O-ND2 3.09Å; L400-K420 HydrophobicContact CD2-CG 4.23Å; L400-I423 HydrophobicContact CD2-CB 4.46Å; L400-I423 HydrophobicContact CD2-CG2 3.95Å; L400-I423 HydrophobicContact CG-CG2 3.85Å; L400-Y424 HydrophobicContact CD1-CE1 4.19Å; L400-Y424 HydrophobicContact CD2-CD2 4.3Å; L400-Y424 HydrophobicContact CD2-CE1 4.5Å; L400-Y424 HydrophobicContact CD2-CE2 3.75Å; L400-L833 HydrophobicContact CD1-CD1 3.82Å |
| 401 | E | 98.1 | Very high | 96.7 | Very high | 84 Ų | 84 | 53.8 Ų | 53.8 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60 | -52 | 176.3 | -171.4 | -177.7 | 145.3 | 0 | 0 | 111 | Q397 E398 V403 N404 K405 | Q397-E401 PolarHBondContact O-N 3.33Å; E398-E401 WeakPolarHBondContact O-CB 3.47Å; E398-E401 PolarHBondContact O-N 3.31Å; E398-E401 VanDerWaalsContact O-N 3.11Å; E401-V403 PolarHBondContact O-N 3.16Å; E401-N404 PolarHBondContact O-N 3.42Å; E401-K405 HydrophobicContact CG-CD 4.47Å; E401-K405 PolarHBondContact O-N 2.71Å; E401-K405 WeakPolarHBondContact OE1-CE 3.33Å; E401-K405 IonicContact OE1-NZ 3.4Å; E401-K405 PolarHBondContact OE1-NZ 3Å |
| 402 | Y | 98.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.5 | -38 | -178 | -73.4 | -67.2 | 0 | 0 | 0 | 113.4 | L355 R358 Y383 L386 Y390 E398 N404 K405 G406 | L355-Y402 VanDerWaalsContact CD2-OH 3.31Å; L355-Y402 WeakPolarHBondContact CD2-OH 3.49Å; R358-Y402 PolarHBondContact NH1-OH 2.84Å; Y383-Y402 HydrophobicContact CD1-CD1 4.04Å; L386-Y402 HydrophobicContact CB-CD1 3.99Å; L386-Y402 HydrophobicContact CB-CD2 3.95Å; L386-Y402 HydrophobicContact CB-CE1 4.3Å; L386-Y402 HydrophobicContact CB-CE2 4.29Å; L386-Y402 HydrophobicContact CB-CG 3.79Å; L386-Y402 HydrophobicContact CD1-CD1 3.91Å; L386-Y402 HydrophobicContact CD1-CE1 3.56Å; Y390-Y402 AromaticContact CD2-CD2 3.66Å; Y390-Y402 HydrophobicContact CD2-CD2 3.66Å; Y390-Y402 AromaticContact CD2-CE2 3.67Å; Y390-Y402 HydrophobicContact CD2-CE2 3.67Å; Y390-Y402 AromaticContact CE2-CD2 3.8Å; Y390-Y402 HydrophobicContact CE2-CD2 3.8Å; Y390-Y402 AromaticContact CE2-CE2 3.3Å; Y390-Y402 HydrophobicContact CE2-CE2 3.3Å; E398-Y402 WeakPolarHBondContact O-CD2 3.47Å; E398-Y402 PolarHBondContact O-N 3.25Å; Y402-N404 VanDerWaalsContact C-N 3.3Å; Y402-N404 PolarHBondContact O-N 3.3Å; Y402-K405 HydrophobicContact CD1-CD 4.44Å; Y402-K405 PolarHBondContact O-N 3.49Å; Y402-G406 PolarHBondContact O-N 3.07Å |
| 403 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.2 | -33.1 | 176.2 | 77 | 0 | 0 | 0 | 0 | 111.5 | A387 A399 L400 E401 G406 L407 L416 L419 K420 I423 | A387-V403 HydrophobicContact CB-CB 4Å; A399-V403 WeakPolarHBondContact O-CG1 3.4Å; A399-V403 PolarHBondContact O-N 3.04Å; A399-V403 VanDerWaalsContact O-N 3.13Å; L400-V403 HydrophobicContact CD2-CG1 4.38Å; L400-V403 WeakPolarHBondContact O-CG1 3.5Å; E401-V403 PolarHBondContact O-N 3.16Å; V403-G406 PolarHBondContact O-N 2.7Å; V403-L407 WeakPolarHBondContact O-CG 3.29Å; V403-L407 PolarHBondContact O-N 3.09Å; V403-L416 HydrophobicContact CG2-CB 4.34Å; V403-L416 HydrophobicContact CG2-CD2 4.22Å; V403-L416 WeakPolarHBondContact CG2-O 3.41Å; V403-L419 HydrophobicContact CG2-CB 4.25Å; V403-L419 HydrophobicContact CG2-CD2 4.16Å; V403-L419 HydrophobicContact CG2-CG 4.12Å; V403-K420 HydrophobicContact CG1-CB 4.09Å; V403-K420 HydrophobicContact CG1-CD 4.17Å; V403-K420 HydrophobicContact CG1-CG 4.04Å; V403-K420 HydrophobicContact CG2-CB 4.05Å; V403-I423 HydrophobicContact CB-CD1 4.22Å; V403-I423 HydrophobicContact CG1-CD1 3.98Å |
| 404 | N | 98.4 | Very high | 96.7 | Very high | 49 Ų | 49 | 53.5 Ų | 53.5 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.6 | -43.8 | 174.9 | -70.9 | -24.4 | 0 | 0 | 0 | 111.5 | L400 E401 Y402 G406 L407 E408 K420 | L400-N404 VanDerWaalsContact O-CB 3.29Å; L400-N404 WeakPolarHBondContact O-CB 3.46Å; L400-N404 PolarHBondContact O-N 2.96Å; L400-N404 PolarHBondContact O-ND2 3.09Å; E401-N404 PolarHBondContact O-N 3.42Å; Y402-N404 VanDerWaalsContact C-N 3.3Å; Y402-N404 PolarHBondContact O-N 3.3Å; N404-G406 PolarHBondContact O-N 3.47Å; N404-L407 PolarHBondContact O-N 3.01Å; N404-E408 WeakPolarHBondContact O-CG 3.36Å; N404-E408 PolarHBondContact O-N 3.14Å; N404-K420 WeakPolarHBondContact OD1-CE 3.43Å; N404-K420 PolarHBondContact OD1-NZ 3.46Å |
| 405 | K | 97.6 | Very high | 96.9 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 24% | 0.243 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.6 | -41.4 | 171.2 | -75.8 | 175.5 | 170.4 | 168 | 0 | 111.8 | Y383 E401 Y402 H409 | Y383-K405 HydrophobicContact CD1-CB 4.43Å; Y383-K405 HydrophobicContact CD2-CB 4.14Å; Y383-K405 HydrophobicContact CE1-CB 4.46Å; Y383-K405 HydrophobicContact CE1-CD 4.35Å; Y383-K405 HydrophobicContact CE2-CB 4.18Å; Y383-K405 HydrophobicContact CG-CB 4.27Å; E401-K405 HydrophobicContact CG-CD 4.47Å; E401-K405 PolarHBondContact O-N 2.71Å; E401-K405 WeakPolarHBondContact OE1-CE 3.33Å; E401-K405 IonicContact OE1-NZ 3.4Å; E401-K405 PolarHBondContact OE1-NZ 3Å; Y402-K405 HydrophobicContact CD1-CD 4.44Å; Y402-K405 PolarHBondContact O-N 3.49Å; K405-H409 WeakPolarHBondContact O-CB 3.4Å; K405-H409 PolarHBondContact O-N 3.03Å; K405-H409 VanDerWaalsContact O-N 3.07Å |
| 406 | G | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -44 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L380 Y402 V403 N404 H409 T410 L416 | L380-G406 VanDerWaalsContact CD1-O 3.31Å; L380-G406 WeakPolarHBondContact CD1-O 3.41Å; Y402-G406 PolarHBondContact O-N 3.07Å; V403-G406 PolarHBondContact O-N 2.7Å; N404-G406 PolarHBondContact O-N 3.47Å; G406-H409 PolarHBondContact O-N 3.27Å; G406-T410 PolarHBondContact O-N 2.86Å; G406-L416 VanDerWaalsContact C-CD1 3.46Å; G406-L416 WeakPolarHBondContact O-CD1 3.31Å |
| 407 | L | 97.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69 | -37.3 | 179.7 | -75.4 | 168.8 | 0 | 0 | 0 | 112.6 | V403 N404 H409 T410 P411 L416 Y417 K420 | V403-L407 WeakPolarHBondContact O-CG 3.29Å; V403-L407 PolarHBondContact O-N 3.09Å; N404-L407 PolarHBondContact O-N 3.01Å; L407-H409 VanDerWaalsContact C-N 3.33Å; L407-T410 CarbonylContact O-C 3.54Å; L407-P411 WeakPolarHBondContact O-CA 3.5Å; L407-L416 HydrophobicContact CD2-CB 3.6Å; L407-L416 HydrophobicContact CD2-CD1 4.04Å; L407-L416 HydrophobicContact CD2-CG 4.5Å; L407-L416 HydrophobicContact CG-CB 3.95Å; L407-L416 HydrophobicContact CG-CD1 4.27Å; L407-Y417 HydrophobicContact CD2-CD1 4.41Å; L407-Y417 HydrophobicContact CD2-CD2 3.79Å; L407-Y417 HydrophobicContact CD2-CE1 4.11Å; L407-Y417 HydrophobicContact CD2-CE2 3.44Å; L407-Y417 VanDerWaalsContact CD2-CE2 3.44Å; L407-Y417 HydrophobicContact CD2-CG 4.25Å; L407-K420 HydrophobicContact CD1-CD 3.64Å |
| 408 | E | 97.4 | Very high | 97.2 | Very high | 158 Ų | 158 | 44.7 Ų | 44.7 | 74% | 0.738 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.2 | -41.2 | 173.6 | -73 | 169.9 | -164.7 | 0 | 0 | 111 | N404 | N404-E408 WeakPolarHBondContact O-CG 3.36Å; N404-E408 PolarHBondContact O-N 3.14Å |
| 409 | H | 96.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.4 | -43.5 | 176.5 | -176.4 | -81.6 | 0 | 0 | 0 | 112.7 | P376 L380 K405 G406 L407 | P376-H409 PolarHBondContact O-CE1 3.23Å; P376-H409 VanDerWaalsContact O-CE1 3.23Å; P376-H409 PolarHBondContact O-NE2 3.44Å; L380-H409 HydrophobicContact CD1-CB 4.34Å; K405-H409 WeakPolarHBondContact O-CB 3.4Å; K405-H409 PolarHBondContact O-N 3.03Å; K405-H409 VanDerWaalsContact O-N 3.07Å; G406-H409 PolarHBondContact O-N 3.27Å; L407-H409 VanDerWaalsContact C-N 3.33Å |
| 410 | T | 96.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | trans | -146.9 | 92 | -177.1 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | L380 G406 L407 T412 L413 L416 | L380-T410 HydrophobicContact CD2-CG2 4.16Å; G406-T410 PolarHBondContact O-N 2.86Å; L407-T410 CarbonylContact O-C 3.54Å; T410-T412 PolarHBondContact O-N 2.85Å; T410-T412 VanDerWaalsContact O-N 3.15Å; T410-L413 HydrophobicContact CG2-CB 4.41Å; T410-L416 WeakPolarHBondContact O-CD1 3.28Å | ||
| 411 | P | 95.9 | Very high | 97.3 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 47% | 0.474 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 1.7 | -175.2 | 30.7 | -36.4 | 0 | 0 | 0 | 113.9 | L407 Y417 | L407-P411 WeakPolarHBondContact O-CA 3.5Å; P411-Y417 WeakPolarHBondContact O-CE2 3.3Å; P411-Y417 PolarHBondContact O-OH 2.82Å |
| 412 | T | 95.4 | Very high | 97.3 | Very high | 107 Ų | 107 | 41 Ų | 41 | 66% | 0.656 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -7.5 | -178.4 | 53 | 0 | 0 | 0 | 0 | 113.6 | T410 I414 | T410-T412 PolarHBondContact O-N 2.85Å; T410-T412 VanDerWaalsContact O-N 3.15Å; T412-I414 PolarHBondContact O-N 3.33Å |
| 413 | L | 95.6 | Very high | 97.3 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | trans | -82.5 | 107.4 | -178.6 | -177 | 65.6 | 0 | 0 | 0 | 111.1 | L380 W381 T410 E415 L416 Y417 | L380-L413 HydrophobicContact CD2-CD2 3.8Å; L380-L413 HydrophobicContact CG-CD2 4.23Å; W381-L413 HydrophobicContact CH2-CD1 4.42Å; W381-L413 HydrophobicContact CH2-CD2 4.22Å; W381-L413 HydrophobicContact CZ2-CD1 4.45Å; W381-L413 HydrophobicContact CZ2-CD2 4.3Å; T410-L413 HydrophobicContact CG2-CB 4.41Å; L413-E415 VanDerWaalsContact C-N 3.25Å; L413-E415 WeakPolarHBondContact CD1-OE2 3.39Å; L413-E415 HydrophobicContact CG-CB 4.24Å; L413-E415 PolarHBondContact O-N 3.32Å; L413-L416 HydrophobicContact CB-CD1 3.9Å; L413-L416 HydrophobicContact CB-CG 4.22Å; L413-L416 HydrophobicContact CD2-CD1 4.13Å; L413-L416 HydrophobicContact CD2-CG 3.96Å; L413-L416 HydrophobicContact CG-CD1 4.39Å; L413-L416 HydrophobicContact CG-CG 4.23Å; L413-L416 WeakPolarHBondContact O-CB 3.29Å; L413-L416 PolarHBondContact O-N 3.45Å; L413-L416 VanDerWaalsContact O-N 3.13Å; L413-Y417 WeakPolarHBondContact O-CD2 3.47Å | ||
| 414 | I | 96.4 | Very high | 97.2 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 20% | 0.195 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.1 | -38.2 | -175.5 | -61.6 | 160.2 | 0 | 0 | 0 | 111.6 | T412 L416 Y417 T418 A440 L443 D444 V450 | T412-I414 PolarHBondContact O-N 3.33Å; I414-L416 PolarHBondContact O-N 3.08Å; I414-Y417 PolarHBondContact O-N 2.89Å; I414-T418 HydrophobicContact CG2-CG2 4.09Å; I414-T418 WeakPolarHBondContact O-CG2 3.26Å; I414-T418 PolarHBondContact O-N 3.47Å; I414-A440 HydrophobicContact CG2-CB 4.21Å; I414-L443 HydrophobicContact CG1-CB 4.02Å; I414-L443 HydrophobicContact CG1-CD1 4.45Å; I414-D444 HydrophobicContact CD1-CB 3.57Å; I414-V450 HydrophobicContact CG2-CG2 4.06Å |
| 415 | E | 96.5 | Very high | 97.1 | Very high | 65 Ų | 65 | 42.3 Ų | 42.3 | 30% | 0.304 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -54.4 | -36.8 | 179.8 | -76.4 | 77.1 | -179.1 | 0 | 0 | 112.4 | A331 Y384 L413 T418 L419 | A331-E415 HydrophobicContact CB-CG 4.21Å; Y384-E415 HydrophobicContact CE2-CB 3.76Å; L413-E415 VanDerWaalsContact C-N 3.25Å; L413-E415 WeakPolarHBondContact CD1-OE2 3.39Å; L413-E415 HydrophobicContact CG-CB 4.24Å; L413-E415 PolarHBondContact O-N 3.32Å; E415-T418 PolarHBondContact O-N 3.29Å; E415-T418 PolarHBondContact O-OG1 3.28Å; E415-L419 VanDerWaalsContact O-CB 3.3Å; E415-L419 WeakPolarHBondContact O-CB 3.13Å; E415-L419 PolarHBondContact O-N 2.94Å |
| 416 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 178 | -65 | 169.1 | 0 | 0 | 0 | 112 | L380 Y384 V403 G406 L407 T410 L413 I414 L419 K420 | L380-L416 HydrophobicContact CD1-CD1 4.06Å; Y384-L416 HydrophobicContact CD2-CD2 4.01Å; V403-L416 HydrophobicContact CG2-CB 4.34Å; V403-L416 HydrophobicContact CG2-CD2 4.22Å; V403-L416 WeakPolarHBondContact CG2-O 3.41Å; G406-L416 VanDerWaalsContact C-CD1 3.46Å; G406-L416 WeakPolarHBondContact O-CD1 3.31Å; L407-L416 HydrophobicContact CD2-CB 3.6Å; L407-L416 HydrophobicContact CD2-CD1 4.04Å; L407-L416 HydrophobicContact CD2-CG 4.5Å; L407-L416 HydrophobicContact CG-CB 3.95Å; L407-L416 HydrophobicContact CG-CD1 4.27Å; T410-L416 WeakPolarHBondContact O-CD1 3.28Å; L413-L416 HydrophobicContact CB-CD1 3.9Å; L413-L416 HydrophobicContact CB-CG 4.22Å; L413-L416 HydrophobicContact CD2-CD1 4.13Å; L413-L416 HydrophobicContact CD2-CG 3.96Å; L413-L416 HydrophobicContact CG-CD1 4.39Å; L413-L416 HydrophobicContact CG-CG 4.23Å; L413-L416 WeakPolarHBondContact O-CB 3.29Å; L413-L416 PolarHBondContact O-N 3.45Å; L413-L416 VanDerWaalsContact O-N 3.13Å; I414-L416 PolarHBondContact O-N 3.08Å; L416-L419 PolarHBondContact O-N 3.44Å; L416-K420 WeakPolarHBondContact O-CB 3.23Å; L416-K420 PolarHBondContact O-N 3Å |
| 417 | Y | 98.2 | Very high | 96.9 | Very high | 30 Ų | 30 | 43 Ų | 43 | 12% | 0.118 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 175.8 | -65.6 | -96.9 | 0 | 0 | 0 | 110.9 | L407 P411 L413 I414 L419 K420 A421 W436 E439 L443 | L407-Y417 HydrophobicContact CD2-CD1 4.41Å; L407-Y417 HydrophobicContact CD2-CD2 3.79Å; L407-Y417 HydrophobicContact CD2-CE1 4.11Å; L407-Y417 HydrophobicContact CD2-CE2 3.44Å; L407-Y417 VanDerWaalsContact CD2-CE2 3.44Å; L407-Y417 HydrophobicContact CD2-CG 4.25Å; P411-Y417 WeakPolarHBondContact O-CE2 3.3Å; P411-Y417 PolarHBondContact O-OH 2.82Å; L413-Y417 WeakPolarHBondContact O-CD2 3.47Å; I414-Y417 PolarHBondContact O-N 2.89Å; Y417-L419 VanDerWaalsContact C-N 3.27Å; Y417-L419 PolarHBondContact O-N 3.21Å; Y417-K420 PolarHBondContact O-N 2.89Å; Y417-A421 WeakPolarHBondContact O-CB 3.28Å; Y417-A421 PolarHBondContact O-N 3.43Å; Y417-W436 AromaticContact CD1-CE3 3.92Å; Y417-W436 HydrophobicContact CD1-CE3 3.92Å; Y417-W436 HydrophobicContact CD1-CZ3 4.2Å; Y417-W436 HydrophobicContact CE1-CE3 4.36Å; Y417-W436 HydrophobicContact CE1-CZ3 4.19Å; Y417-E439 HydrophobicContact CD1-CB 3.99Å; Y417-E439 HydrophobicContact CE1-CB 4.32Å; Y417-L443 HydrophobicContact CD2-CD1 3.66Å; Y417-L443 HydrophobicContact CE1-CD1 4.47Å; Y417-L443 HydrophobicContact CE2-CD1 3.43Å; Y417-L443 VanDerWaalsContact CE2-CD1 3.43Å; Y417-L443 HydrophobicContact CG-CD1 4.28Å |
| 418 | T | 97.3 | Very high | 96.6 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 17% | 0.172 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.6 | -32.5 | 176.8 | 72.6 | 0 | 0 | 0 | 0 | 112.6 | I414 E415 R422 I437 A440 | I414-T418 HydrophobicContact CG2-CG2 4.09Å; I414-T418 WeakPolarHBondContact O-CG2 3.26Å; I414-T418 PolarHBondContact O-N 3.47Å; E415-T418 PolarHBondContact O-N 3.29Å; E415-T418 PolarHBondContact O-OG1 3.28Å; T418-R422 WeakPolarHBondContact O-CB 3.32Å; T418-R422 PolarHBondContact O-N 2.86Å; T418-I437 HydrophobicContact CG2-CD1 3.81Å; T418-A440 HydrophobicContact CG2-CB 3.95Å |
| 419 | L | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.5 | -47.3 | 174.8 | 177.1 | 54.1 | 0 | 0 | 0 | 111.2 | Y384 A387 L388 V403 E415 L416 Y417 A421 R422 I423 | Y384-L419 HydrophobicContact CD2-CD2 3.61Å; Y384-L419 HydrophobicContact CE2-CB 4.12Å; Y384-L419 HydrophobicContact CE2-CD2 3.7Å; A387-L419 HydrophobicContact CB-CD2 3.55Å; A387-L419 HydrophobicContact CB-CG 4.43Å; L388-L419 HydrophobicContact CD2-CD1 3.46Å; L388-L419 VanDerWaalsContact CD2-CD1 3.46Å; L388-L419 HydrophobicContact CD2-CD2 4.38Å; L388-L419 HydrophobicContact CG-CD1 3.84Å; L388-L419 HydrophobicContact CG-CD2 3.85Å; V403-L419 HydrophobicContact CG2-CB 4.25Å; V403-L419 HydrophobicContact CG2-CD2 4.16Å; V403-L419 HydrophobicContact CG2-CG 4.12Å; E415-L419 VanDerWaalsContact O-CB 3.3Å; E415-L419 WeakPolarHBondContact O-CB 3.13Å; E415-L419 PolarHBondContact O-N 2.94Å; L416-L419 PolarHBondContact O-N 3.44Å; Y417-L419 VanDerWaalsContact C-N 3.27Å; Y417-L419 PolarHBondContact O-N 3.21Å; L419-A421 VanDerWaalsContact C-N 3.3Å; L419-A421 PolarHBondContact O-N 3.32Å; L419-R422 CarbonylContact O-C 3.59Å; L419-R422 WeakPolarHBondContact O-CA 3.24Å; L419-R422 VanDerWaalsContact O-CB 3.28Å; L419-R422 WeakPolarHBondContact O-CB 3.06Å; L419-R422 PolarHBondContact O-N 3.02Å; L419-I423 HydrophobicContact CD1-CD1 4.14Å; L419-I423 HydrophobicContact CD1-CG1 4.19Å; L419-I423 HydrophobicContact CG-CD1 3.99Å; L419-I423 WeakPolarHBondContact O-CG1 3.48Å; L419-I423 PolarHBondContact O-N 3.43Å |
| 420 | K | 98.4 | Very high | 96.3 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -43.5 | 176.1 | -168.2 | 165.3 | -179.7 | 178.9 | 0 | 111.5 | L400 V403 N404 L407 L416 Y417 R422 I423 Y424 W436 | L400-K420 HydrophobicContact CD2-CG 4.23Å; V403-K420 HydrophobicContact CG1-CB 4.09Å; V403-K420 HydrophobicContact CG1-CD 4.17Å; V403-K420 HydrophobicContact CG1-CG 4.04Å; V403-K420 HydrophobicContact CG2-CB 4.05Å; N404-K420 WeakPolarHBondContact OD1-CE 3.43Å; N404-K420 PolarHBondContact OD1-NZ 3.46Å; L407-K420 HydrophobicContact CD1-CD 3.64Å; L416-K420 WeakPolarHBondContact O-CB 3.23Å; L416-K420 PolarHBondContact O-N 3Å; Y417-K420 PolarHBondContact O-N 2.89Å; K420-R422 VanDerWaalsContact C-N 3.32Å; K420-R422 PolarHBondContact O-N 3.28Å; K420-I423 PolarHBondContact O-N 3.06Å; K420-Y424 HydrophobicContact CG-CD2 4.21Å; K420-Y424 HydrophobicContact CG-CE2 4Å; K420-Y424 WeakPolarHBondContact O-CD2 2.87Å; K420-Y424 PolarHBondContact O-N 2.92Å; K420-Y424 VanDerWaalsContact O-N 3.14Å; K420-W436 HydrophobicContact CB-CG 4.45Å; K420-W436 HydrophobicContact CD-CD2 3.69Å; K420-W436 HydrophobicContact CD-CE3 3.8Å; K420-W436 HydrophobicContact CD-CG 4.31Å; K420-W436 HydrophobicContact CD-CH2 4.11Å; K420-W436 HydrophobicContact CD-CZ2 4Å; K420-W436 HydrophobicContact CD-CZ3 4.01Å; K420-W436 VanDerWaalsContact CE-CE2 3.4Å; K420-W436 HydrophobicContact CG-CD2 3.97Å; K420-W436 HydrophobicContact CG-CE3 4.43Å; K420-W436 HydrophobicContact CG-CG 4.06Å |
| 421 | A | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -40.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y417 L419 K425 A433 W436 I437 Y457 | Y417-A421 WeakPolarHBondContact O-CB 3.28Å; Y417-A421 PolarHBondContact O-N 3.43Å; L419-A421 VanDerWaalsContact C-N 3.3Å; L419-A421 PolarHBondContact O-N 3.32Å; A421-K425 WeakPolarHBondContact O-CB 3.4Å; A421-K425 PolarHBondContact O-N 3.31Å; A421-K425 VanDerWaalsContact O-N 3.09Å; A421-A433 WeakPolarHBondContact CB-O 3.42Å; A421-A433 WeakPolarHBondContact O-CB 3.46Å; A421-W436 HydrophobicContact CB-CB 3.76Å; A421-I437 HydrophobicContact CB-CB 3.85Å; A421-I437 HydrophobicContact CB-CD1 4.35Å; A421-Y457 HydrophobicContact CB-CD2 4.36Å; A421-Y457 HydrophobicContact CB-CE2 3.84Å |
| 422 | R | 97.7 | Very high | 96.1 | Very high | 69 Ų | 69 | 38.1 Ų | 38.1 | 26% | 0.26 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 176.8 | 177.5 | -173.3 | -62.1 | -167.5 | 3.9 | 111.9 | D391 T418 L419 K420 K425 H426 | D391-R422 VanDerWaalsContact OD2-CD 3.31Å; D391-R422 WeakPolarHBondContact OD2-CD 3.1Å; T418-R422 WeakPolarHBondContact O-CB 3.32Å; T418-R422 PolarHBondContact O-N 2.86Å; L419-R422 CarbonylContact O-C 3.59Å; L419-R422 WeakPolarHBondContact O-CA 3.24Å; L419-R422 VanDerWaalsContact O-CB 3.28Å; L419-R422 WeakPolarHBondContact O-CB 3.06Å; L419-R422 PolarHBondContact O-N 3.02Å; K420-R422 VanDerWaalsContact C-N 3.32Å; K420-R422 PolarHBondContact O-N 3.28Å; R422-K425 WeakPolarHBondContact O-CB 3.49Å; R422-K425 PolarHBondContact O-N 3.4Å; R422-H426 WeakPolarHBondContact CG-CE1 3.28Å; R422-H426 PolarHBondContact O-N 3.05Å |
| 423 | I | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.9 | -52.6 | 179.2 | -66.8 | 160.1 | 0 | 0 | 0 | 109.8 | D391 F396 A399 L400 V403 L419 K420 K425 H426 A427 | D391-I423 HydrophobicContact CB-CG1 3.95Å; F396-I423 HydrophobicContact CB-CG2 4.21Å; F396-I423 HydrophobicContact CD1-CG2 4.2Å; A399-I423 HydrophobicContact CB-CD1 3.79Å; A399-I423 HydrophobicContact CB-CG1 4.05Å; A399-I423 HydrophobicContact CB-CG2 4.19Å; L400-I423 HydrophobicContact CD2-CB 4.46Å; L400-I423 HydrophobicContact CD2-CG2 3.95Å; L400-I423 HydrophobicContact CG-CG2 3.85Å; V403-I423 HydrophobicContact CB-CD1 4.22Å; V403-I423 HydrophobicContact CG1-CD1 3.98Å; L419-I423 HydrophobicContact CD1-CD1 4.14Å; L419-I423 HydrophobicContact CD1-CG1 4.19Å; L419-I423 HydrophobicContact CG-CD1 3.99Å; L419-I423 WeakPolarHBondContact O-CG1 3.48Å; L419-I423 PolarHBondContact O-N 3.43Å; K420-I423 PolarHBondContact O-N 3.06Å; I423-K425 VanDerWaalsContact C-N 3.29Å; I423-K425 PolarHBondContact O-N 3.37Å; I423-H426 PolarHBondContact O-N 3.01Å; I423-A427 WeakPolarHBondContact O-CB 3.32Å; I423-A427 PolarHBondContact O-N 2.98Å |
| 424 | Y | 97.6 | Very high | 96.3 | Very high | 38 Ų | 38 | 31.9 Ų | 31.9 | 15% | 0.149 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.6 | -39.6 | 177.1 | -81 | -64.8 | 0 | 0 | 0 | 113.1 | L400 K420 A427 G428 N429 E432 W436 L833 | L400-Y424 HydrophobicContact CD1-CE1 4.19Å; L400-Y424 HydrophobicContact CD2-CD2 4.3Å; L400-Y424 HydrophobicContact CD2-CE1 4.5Å; L400-Y424 HydrophobicContact CD2-CE2 3.75Å; K420-Y424 HydrophobicContact CG-CD2 4.21Å; K420-Y424 HydrophobicContact CG-CE2 4Å; K420-Y424 WeakPolarHBondContact O-CD2 2.87Å; K420-Y424 PolarHBondContact O-N 2.92Å; K420-Y424 VanDerWaalsContact O-N 3.14Å; Y424-A427 PolarHBondContact O-N 3.45Å; Y424-G428 PolarHBondContact O-N 3.29Å; Y424-G428 VanDerWaalsContact O-N 3.14Å; Y424-N429 CarbonylContact C-O 3.56Å; Y424-N429 HydrophobicContact CD1-CB 4.14Å; Y424-N429 CarbonylContact O-C 3.58Å; Y424-N429 PolarHBondContact O-N 2.81Å; Y424-E432 HydrophobicContact CD1-CB 4.1Å; Y424-E432 HydrophobicContact CD1-CG 3.84Å; Y424-E432 HydrophobicContact CD2-CG 3.84Å; Y424-E432 HydrophobicContact CE1-CB 4.49Å; Y424-E432 HydrophobicContact CE1-CG 3.82Å; Y424-E432 HydrophobicContact CE2-CG 3.81Å; Y424-E432 HydrophobicContact CG-CB 4.11Å; Y424-E432 HydrophobicContact CG-CG 3.84Å; Y424-W436 AromaticContact CD2-CD1 3.58Å; Y424-W436 AromaticContact CD2-NE1 3.88Å; Y424-W436 AromaticContact CE2-CD1 3.66Å; Y424-W436 AromaticContact CE2-NE1 3.44Å; Y424-L833 HydrophobicContact CE1-CD2 4.18Å |
| 425 | K | 95.7 | Very high | 96.4 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.5 | -179.2 | -155 | 70.7 | -157.7 | 0 | 111.5 | A421 R422 I423 A427 G428 A433 Y457 | A421-K425 WeakPolarHBondContact O-CB 3.4Å; A421-K425 PolarHBondContact O-N 3.31Å; A421-K425 VanDerWaalsContact O-N 3.09Å; R422-K425 WeakPolarHBondContact O-CB 3.49Å; R422-K425 PolarHBondContact O-N 3.4Å; I423-K425 VanDerWaalsContact C-N 3.29Å; I423-K425 PolarHBondContact O-N 3.37Å; K425-A427 VanDerWaalsContact C-N 3.33Å; K425-G428 PolarHBondContact O-N 2.8Å; K425-A433 HydrophobicContact CB-CB 3.83Å; K425-Y457 HydrophobicContact CB-CE2 4.18Å; K425-Y457 HydrophobicContact CD-CE1 3.81Å; K425-Y457 HydrophobicContact CD-CE2 4.17Å; K425-Y457 PolarHBondContact NZ-OH 2.57Å; K425-Y457 VanDerWaalsContact NZ-OH 3.09Å |
| 426 | H | 95.3 | Very high | 96.5 | Very high | 69 Ų | 69 | 35.2 Ų | 35.2 | 32% | 0.319 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -68.3 | -34.3 | 177.2 | -68.3 | 168.4 | 0 | 0 | 0 | 112.2 | D391 F396 R422 I423 G428 W797 | D391-H426 VanDerWaalsContact CG-ND1 3.32Å; D391-H426 IonicContact OD1-CE1 4Å; D391-H426 IonicContact OD1-CG 2.84Å; D391-H426 IonicContact OD1-ND1 3.74Å; D391-H426 PolarHBondContact OD1-ND1 3.06Å; D391-H426 IonicContact OD2-CE1 3.55Å; D391-H426 PolarHBondContact OD2-CE1 3.11Å; D391-H426 IonicContact OD2-ND1 3.76Å; D391-H426 PolarHBondContact OD2-ND1 2.77Å; F396-H426 HydrophobicContact CD1-CB 4.5Å; F396-H426 HydrophobicContact CE1-CB 3.63Å; F396-H426 HydrophobicContact CZ-CB 4.13Å; R422-H426 WeakPolarHBondContact CG-CE1 3.28Å; R422-H426 PolarHBondContact O-N 3.05Å; I423-H426 PolarHBondContact O-N 3.01Å; H426-G428 PolarHBondContact O-N 3.32Å; H426-W797 PolarHBondContact O-NE1 2.63Å |
| 427 | A | 94.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -74.6 | -7.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F396 I423 Y424 K425 L833 A834 | F396-A427 HydrophobicContact CB-CB 4.12Å; F396-A427 HydrophobicContact CD1-CB 4.08Å; F396-A427 HydrophobicContact CD2-CB 3.66Å; F396-A427 HydrophobicContact CE1-CB 4.46Å; F396-A427 HydrophobicContact CE2-CB 4.08Å; F396-A427 HydrophobicContact CG-CB 3.67Å; F396-A427 HydrophobicContact CZ-CB 4.45Å; I423-A427 WeakPolarHBondContact O-CB 3.32Å; I423-A427 PolarHBondContact O-N 2.98Å; Y424-A427 PolarHBondContact O-N 3.45Å; K425-A427 VanDerWaalsContact C-N 3.33Å; A427-L833 HydrophobicContact CB-CB 3.71Å; A427-L833 HydrophobicContact CB-CD1 3.67Å; A427-L833 HydrophobicContact CB-CG 4.35Å; A427-A834 WeakPolarHBondContact O-CA 3.37Å; A427-A834 WeakPolarHBondContact O-CB 3.35Å; A427-A834 PolarHBondContact O-N 2.92Å |
| 428 | G | 92 | Very high | 96.4 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 12.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y424 K425 H426 T835 | Y424-G428 PolarHBondContact O-N 3.29Å; Y424-G428 VanDerWaalsContact O-N 3.14Å; K425-G428 PolarHBondContact O-N 2.8Å; H426-G428 PolarHBondContact O-N 3.32Å; G428-T835 PolarHBondContact O-N 3.4Å; G428-T835 PolarHBondContact O-OG1 3.38Å |
| 429 | N | 94.5 | Very high | 96.4 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 15% | 0.15 | 17% | 0.169 | C | C | . | . | trans | -104.4 | 88.9 | 172 | -163.8 | -22.8 | 0 | 0 | 0 | 111.3 | Y424 E432 A433 L833 T835 | Y424-N429 CarbonylContact C-O 3.56Å; Y424-N429 HydrophobicContact CD1-CB 4.14Å; Y424-N429 CarbonylContact O-C 3.58Å; Y424-N429 PolarHBondContact O-N 2.81Å; N429-E432 HydrophobicContact CB-CB 4.21Å; N429-E432 VanDerWaalsContact CG-CB 3.41Å; N429-E432 WeakPolarHBondContact ND2-CB 3.39Å; N429-E432 WeakPolarHBondContact OD1-CB 3.38Å; N429-E432 PolarHBondContact OD1-N 2.9Å; N429-E432 VanDerWaalsContact OD1-N 3.08Å; N429-A433 WeakPolarHBondContact O-CB 3.42Å; N429-A433 PolarHBondContact O-N 3.35Å; N429-A433 VanDerWaalsContact O-N 3.17Å; N429-L833 WeakPolarHBondContact CB-O 3.31Å; N429-T835 HydrophobicContact CB-CG2 4.08Å; N429-T835 WeakPolarHBondContact OD1-CG2 3.31Å | ||
| 430 | R | 92.5 | Very high | 96.3 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 16% | 0.158 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.5 | -32.6 | -176.9 | -60.8 | -168.5 | -163.4 | 135.9 | 16.1 | 113.6 | A433 V434 Q460 A461 D859 | R430-A433 WeakPolarHBondContact O-CB 3.44Å; R430-A433 PolarHBondContact O-N 2.91Å; R430-V434 WeakPolarHBondContact O-CG2 3.37Å; R430-V434 PolarHBondContact O-N 2.93Å; R430-Q460 WeakPolarHBondContact CD-O 3.48Å; R430-Q460 PolarHBondContact NH1-O 2.97Å; R430-A461 HydrophobicContact CB-CB 4.08Å; R430-D859 IonicContact CZ-OD1 3.75Å; R430-D859 VanDerWaalsContact CZ-OD1 3.31Å; R430-D859 IonicContact CZ-OD2 3.55Å; R430-D859 IonicContact NH1-OD1 2.79Å; R430-D859 PolarHBondContact NH1-OD1 3.48Å; R430-D859 IonicContact NH1-OD2 2.68Å; R430-D859 PolarHBondContact NH1-OD2 2.79Å; R430-D859 IonicContact NH2-OD1 3.76Å; R430-D859 PolarHBondContact NH2-OD1 2.65Å; R430-D859 IonicContact NH2-OD2 3.59Å; R430-D859 PolarHBondContact NH2-OD2 2.67Å |
| 431 | R | 93.6 | Very high | 96.2 | Very high | 136 Ų | 136 | 39.1 Ų | 39.1 | 51% | 0.513 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.5 | -45.8 | 179.2 | -72.7 | -173.2 | 176.1 | 176.1 | 0.5 | 110.5 | A433 V434 R435 | R431-A433 VanDerWaalsContact C-N 3.31Å; R431-A433 PolarHBondContact O-N 2.73Å; R431-V434 WeakPolarHBondContact O-CB 2.99Å; R431-V434 PolarHBondContact O-N 2.82Å; R431-V434 VanDerWaalsContact O-N 3.12Å; R431-R435 PolarHBondContact O-N 2.97Å |
| 432 | E | 95.3 | Very high | 96.1 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 22% | 0.22 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -38.2 | 175.8 | -165.7 | 59 | -155.9 | 0 | 0 | 111.4 | Y424 N429 V434 R435 W436 | Y424-E432 HydrophobicContact CD1-CB 4.1Å; Y424-E432 HydrophobicContact CD1-CG 3.84Å; Y424-E432 HydrophobicContact CD2-CG 3.84Å; Y424-E432 HydrophobicContact CE1-CB 4.49Å; Y424-E432 HydrophobicContact CE1-CG 3.82Å; Y424-E432 HydrophobicContact CE2-CG 3.81Å; Y424-E432 HydrophobicContact CG-CB 4.11Å; Y424-E432 HydrophobicContact CG-CG 3.84Å; N429-E432 HydrophobicContact CB-CB 4.21Å; N429-E432 VanDerWaalsContact CG-CB 3.41Å; N429-E432 WeakPolarHBondContact ND2-CB 3.39Å; N429-E432 WeakPolarHBondContact OD1-CB 3.38Å; N429-E432 PolarHBondContact OD1-N 2.9Å; N429-E432 VanDerWaalsContact OD1-N 3.08Å; E432-V434 VanDerWaalsContact C-N 3.26Å; E432-V434 PolarHBondContact O-N 3.45Å; E432-R435 WeakPolarHBondContact O-CB 3.3Å; E432-R435 PolarHBondContact O-N 2.92Å; E432-W436 PolarHBondContact O-N 2.91Å; E432-W436 PolarHBondContact OE1-NE1 3.04Å |
| 433 | A | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -35.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A421 K425 N429 R430 R431 I437 Y457 | A421-A433 WeakPolarHBondContact CB-O 3.42Å; A421-A433 WeakPolarHBondContact O-CB 3.46Å; K425-A433 HydrophobicContact CB-CB 3.83Å; N429-A433 WeakPolarHBondContact O-CB 3.42Å; N429-A433 PolarHBondContact O-N 3.35Å; N429-A433 VanDerWaalsContact O-N 3.17Å; R430-A433 WeakPolarHBondContact O-CB 3.44Å; R430-A433 PolarHBondContact O-N 2.91Å; R431-A433 VanDerWaalsContact C-N 3.31Å; R431-A433 PolarHBondContact O-N 2.73Å; A433-I437 WeakPolarHBondContact O-CG2 3.44Å; A433-I437 PolarHBondContact O-N 3.27Å; A433-Y457 HydrophobicContact CB-CD2 3.94Å; A433-Y457 HydrophobicContact CB-CE2 4.15Å |
| 434 | V | 97.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 175.8 | 170 | 0 | 0 | 0 | 0 | 111 | R430 R431 E432 W436 I437 E438 Y457 M458 A461 M463 | R430-V434 WeakPolarHBondContact O-CG2 3.37Å; R430-V434 PolarHBondContact O-N 2.93Å; R431-V434 WeakPolarHBondContact O-CB 2.99Å; R431-V434 PolarHBondContact O-N 2.82Å; R431-V434 VanDerWaalsContact O-N 3.12Å; E432-V434 VanDerWaalsContact C-N 3.26Å; E432-V434 PolarHBondContact O-N 3.45Å; V434-W436 PolarHBondContact O-N 3.36Å; V434-I437 VanDerWaalsContact O-CG2 3.27Å; V434-I437 WeakPolarHBondContact O-CG2 3.44Å; V434-I437 PolarHBondContact O-N 3.08Å; V434-E438 VanDerWaalsContact O-CB 3.3Å; V434-E438 WeakPolarHBondContact O-CB 3.05Å; V434-E438 PolarHBondContact O-N 3.42Å; V434-Y457 WeakPolarHBondContact CG2-O 3.43Å; V434-M458 HydrophobicContact CG1-CE 4.14Å; V434-M458 HydrophobicContact CG1-CG 3.69Å; V434-M458 HydrophobicContact CG2-CG 4.29Å; V434-A461 HydrophobicContact CG2-CB 3.71Å; V434-M463 HydrophobicContact CG1-SD 4.05Å |
| 435 | R | 97.7 | Very high | 95.8 | Very high | 138 Ų | 138 | 48.6 Ų | 48.6 | 52% | 0.521 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.6 | -51 | 178.4 | -177.1 | -175.3 | 174.1 | 172.3 | 3.7 | 111.8 | R431 E432 I437 E438 E439 | R431-R435 PolarHBondContact O-N 2.97Å; E432-R435 WeakPolarHBondContact O-CB 3.3Å; E432-R435 PolarHBondContact O-N 2.92Å; R435-I437 PolarHBondContact O-N 2.67Å; R435-E438 PolarHBondContact O-N 3.19Å; R435-E439 IonicContact NE-OE1 3.34Å; R435-E439 PolarHBondContact O-N 3.45Å |
| 436 | W | 98 | Very high | 95.8 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.4 | -34.4 | -177.8 | -69.8 | 104.2 | 0 | 0 | 0 | 113.6 | Y417 K420 A421 Y424 E432 V434 E439 A440 | Y417-W436 AromaticContact CD1-CE3 3.92Å; Y417-W436 HydrophobicContact CD1-CE3 3.92Å; Y417-W436 HydrophobicContact CD1-CZ3 4.2Å; Y417-W436 HydrophobicContact CE1-CE3 4.36Å; Y417-W436 HydrophobicContact CE1-CZ3 4.19Å; K420-W436 HydrophobicContact CB-CG 4.45Å; K420-W436 HydrophobicContact CD-CD2 3.69Å; K420-W436 HydrophobicContact CD-CE3 3.8Å; K420-W436 HydrophobicContact CD-CG 4.31Å; K420-W436 HydrophobicContact CD-CH2 4.11Å; K420-W436 HydrophobicContact CD-CZ2 4Å; K420-W436 HydrophobicContact CD-CZ3 4.01Å; K420-W436 VanDerWaalsContact CE-CE2 3.4Å; K420-W436 HydrophobicContact CG-CD2 3.97Å; K420-W436 HydrophobicContact CG-CE3 4.43Å; K420-W436 HydrophobicContact CG-CG 4.06Å; A421-W436 HydrophobicContact CB-CB 3.76Å; Y424-W436 AromaticContact CD2-CD1 3.58Å; Y424-W436 AromaticContact CD2-NE1 3.88Å; Y424-W436 AromaticContact CE2-CD1 3.66Å; Y424-W436 AromaticContact CE2-NE1 3.44Å; E432-W436 PolarHBondContact O-N 2.91Å; E432-W436 PolarHBondContact OE1-NE1 3.04Å; V434-W436 PolarHBondContact O-N 3.36Å; W436-E439 VanDerWaalsContact CZ3-OE2 3.27Å; W436-E439 WeakPolarHBondContact CZ3-OE2 3.49Å; W436-A440 PolarHBondContact O-N 3.39Å |
| 437 | I | 97.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -77.2 | -26.3 | 176.9 | -161.6 | 67.9 | 0 | 0 | 0 | 112.2 | T418 A421 A433 V434 R435 A440 Q441 K453 C454 Y457 | T418-I437 HydrophobicContact CG2-CD1 3.81Å; A421-I437 HydrophobicContact CB-CB 3.85Å; A421-I437 HydrophobicContact CB-CD1 4.35Å; A433-I437 WeakPolarHBondContact O-CG2 3.44Å; A433-I437 PolarHBondContact O-N 3.27Å; V434-I437 VanDerWaalsContact O-CG2 3.27Å; V434-I437 WeakPolarHBondContact O-CG2 3.44Å; V434-I437 PolarHBondContact O-N 3.08Å; R435-I437 PolarHBondContact O-N 2.67Å; I437-A440 HydrophobicContact CD1-CB 4.26Å; I437-A440 WeakPolarHBondContact O-CB 3.49Å; I437-A440 PolarHBondContact O-N 2.96Å; I437-Q441 WeakPolarHBondContact O-CB 3.46Å; I437-Q441 PolarHBondContact O-N 3.32Å; I437-K453 HydrophobicContact CD1-CB 4.14Å; I437-K453 HydrophobicContact CG1-CB 4.17Å; I437-C454 HydrophobicContact CG1-CB 4.19Å; I437-C454 HydrophobicContact CG2-CB 4.2Å; I437-Y457 HydrophobicContact CB-CD2 4.08Å; I437-Y457 HydrophobicContact CG1-CD2 4.48Å; I437-Y457 HydrophobicContact CG2-CD2 3.82Å; I437-Y457 HydrophobicContact CG2-CG 4.09Å |
| 438 | E | 97.2 | Very high | 96 | Very high | 91 Ų | 91 | 55.6 Ų | 55.6 | 43% | 0.425 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.9 | -42.7 | 171.9 | -175.5 | 170.2 | -156.7 | 0 | 0 | 110.9 | V434 R435 A440 Q441 S442 M458 | V434-E438 VanDerWaalsContact O-CB 3.3Å; V434-E438 WeakPolarHBondContact O-CB 3.05Å; V434-E438 PolarHBondContact O-N 3.42Å; R435-E438 PolarHBondContact O-N 3.19Å; E438-A440 VanDerWaalsContact C-N 3.33Å; E438-A440 PolarHBondContact O-N 3.38Å; E438-Q441 WeakPolarHBondContact O-CB 3.21Å; E438-Q441 PolarHBondContact O-N 2.8Å; E438-Q441 VanDerWaalsContact O-N 3.12Å; E438-S442 PolarHBondContact O-N 3.22Å; E438-M458 HydrophobicContact CG-CE 4.47Å |
| 439 | E | 96.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 61.9 Ų | 61.9 | 28% | 0.28 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 169.7 | -73 | -179.9 | -161.1 | 0 | 0 | 110.8 | Y417 R435 W436 Q441 S442 L443 | Y417-E439 HydrophobicContact CD1-CB 3.99Å; Y417-E439 HydrophobicContact CE1-CB 4.32Å; R435-E439 IonicContact NE-OE1 3.34Å; R435-E439 PolarHBondContact O-N 3.45Å; W436-E439 VanDerWaalsContact CZ3-OE2 3.27Å; W436-E439 WeakPolarHBondContact CZ3-OE2 3.49Å; E439-Q441 VanDerWaalsContact C-N 3.3Å; E439-Q441 PolarHBondContact O-N 3.47Å; E439-S442 PolarHBondContact O-N 2.73Å; E439-S442 PolarHBondContact O-OG 3.34Å; E439-L443 PolarHBondContact O-N 3.3Å |
| 440 | A | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.1 | -43.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I414 T418 W436 I437 E438 S442 L443 V450 | I414-A440 HydrophobicContact CG2-CB 4.21Å; T418-A440 HydrophobicContact CG2-CB 3.95Å; W436-A440 PolarHBondContact O-N 3.39Å; I437-A440 HydrophobicContact CD1-CB 4.26Å; I437-A440 WeakPolarHBondContact O-CB 3.49Å; I437-A440 PolarHBondContact O-N 2.96Å; E438-A440 VanDerWaalsContact C-N 3.33Å; E438-A440 PolarHBondContact O-N 3.38Å; A440-S442 VanDerWaalsContact C-N 3.3Å; A440-S442 PolarHBondContact O-N 3.1Å; A440-L443 PolarHBondContact O-N 3.5Å; A440-V450 HydrophobicContact CB-CG1 4.02Å |
| 441 | Q | 96.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.028 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.5 | -33.4 | 178.2 | -167.5 | -79.1 | -70.6 | 0 | 0 | 111.9 | I437 E438 E439 L443 D444 T445 V450 N451 C454 | I437-Q441 WeakPolarHBondContact O-CB 3.46Å; I437-Q441 PolarHBondContact O-N 3.32Å; E438-Q441 WeakPolarHBondContact O-CB 3.21Å; E438-Q441 PolarHBondContact O-N 2.8Å; E438-Q441 VanDerWaalsContact O-N 3.12Å; E439-Q441 VanDerWaalsContact C-N 3.3Å; E439-Q441 PolarHBondContact O-N 3.47Å; Q441-L443 VanDerWaalsContact C-N 3.31Å; Q441-D444 CarbonylContact O-C 3.59Å; Q441-D444 VanDerWaalsContact O-C 3.22Å; Q441-D444 PolarHBondContact O-N 3.26Å; Q441-D444 VanDerWaalsContact O-O 3.1Å; Q441-T445 PolarHBondContact O-N 3.23Å; Q441-V450 HydrophobicContact CB-CG1 4Å; Q441-N451 HydrophobicContact CG-CB 4.38Å; Q441-C454 HydrophobicContact CB-CB 4.14Å; Q441-C454 HydrophobicContact CG-CB 4.22Å |
| 442 | S | 95.9 | Very high | 96.8 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.4 | -27.8 | 179.1 | 76.5 | 0 | 0 | 0 | 0 | 113.1 | E438 E439 A440 | E438-S442 PolarHBondContact O-N 3.22Å; E439-S442 PolarHBondContact O-N 2.73Å; E439-S442 PolarHBondContact O-OG 3.34Å; A440-S442 VanDerWaalsContact C-N 3.3Å; A440-S442 PolarHBondContact O-N 3.1Å |
| 443 | L | 95.9 | Very high | 96.9 | Very high | 82 Ų | 82 | 54.1 Ų | 54.1 | 43% | 0.429 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -73.3 | -30.2 | 177.1 | -67.1 | 174.6 | 0 | 0 | 0 | 112.9 | I414 Y417 E439 A440 Q441 | I414-L443 HydrophobicContact CG1-CB 4.02Å; I414-L443 HydrophobicContact CG1-CD1 4.45Å; Y417-L443 HydrophobicContact CD2-CD1 3.66Å; Y417-L443 HydrophobicContact CE1-CD1 4.47Å; Y417-L443 HydrophobicContact CE2-CD1 3.43Å; Y417-L443 VanDerWaalsContact CE2-CD1 3.43Å; Y417-L443 HydrophobicContact CG-CD1 4.28Å; E439-L443 PolarHBondContact O-N 3.3Å; A440-L443 PolarHBondContact O-N 3.5Å; Q441-L443 VanDerWaalsContact C-N 3.31Å |
| 444 | D | 95.6 | Very high | 96.9 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | trans | -136.6 | 93.1 | 172 | -171.8 | -11.2 | 0 | 0 | 0 | 111.2 | I414 Q441 A446 D447 | I414-D444 HydrophobicContact CD1-CB 3.57Å; Q441-D444 CarbonylContact O-C 3.59Å; Q441-D444 VanDerWaalsContact O-C 3.22Å; Q441-D444 PolarHBondContact O-N 3.26Å; Q441-D444 VanDerWaalsContact O-O 3.1Å; D444-A446 PolarHBondContact O-N 3.37Å; D444-A446 WeakPolarHBondContact OD1-CB 3.43Å; D444-A446 PolarHBondContact OD1-N 2.99Å; D444-D447 HydrophobicContact CB-CB 4.42Å; D444-D447 PolarHBondContact OD1-N 3.01Å; D444-D447 VanDerWaalsContact OD1-N 3.08Å | ||
| 445 | T | 94.7 | Very high | 96.9 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 58% | 0.577 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -75.8 | -11.4 | 178.7 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | Q441 | Q441-T445 PolarHBondContact O-N 3.23Š|
| 446 | A | 96.3 | Very high | 96.9 | Very high | 78 Ų | 78 | 50.4 Ų | 50.4 | 65% | 0.645 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -89 | -24.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D444 R448 F474 | D444-A446 PolarHBondContact O-N 3.37Å; D444-A446 WeakPolarHBondContact OD1-CB 3.43Å; D444-A446 PolarHBondContact OD1-N 2.99Å; A446-R448 PolarHBondContact O-N 3.05Å; A446-F474 WeakPolarHBondContact O-CE1 3.5Å; A446-F474 WeakPolarHBondContact O-CZ 3.46Å |
| 447 | D | 96.7 | Very high | 96.9 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | trans | -77.6 | 110.6 | 179.5 | -173.4 | 8 | 0 | 0 | 0 | 113.5 | D444 Y449 V450 N451 | D444-D447 HydrophobicContact CB-CB 4.42Å; D444-D447 PolarHBondContact OD1-N 3.01Å; D444-D447 VanDerWaalsContact OD1-N 3.08Å; D447-Y449 VanDerWaalsContact C-N 3.28Å; D447-Y449 PolarHBondContact O-N 2.68Å; D447-Y449 VanDerWaalsContact OD1-CB 3.29Å; D447-Y449 WeakPolarHBondContact OD1-CB 3.39Å; D447-Y449 PolarHBondContact OD1-N 2.88Å; D447-V450 WeakPolarHBondContact OD2-CG2 3.43Å; D447-N451 WeakPolarHBondContact O-CB 3.17Å; D447-N451 PolarHBondContact O-N 3.34Å; D447-N451 VanDerWaalsContact O-N 3.15Å | ||
| 448 | R | 97.1 | Very high | 96.9 | Very high | 128 Ų | 128 | 49.2 Ų | 49.2 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.5 | -27.7 | 175 | -167.1 | 175.4 | -177.1 | -175.2 | 3.4 | 113 | A446 S452 F474 | A446-R448 PolarHBondContact O-N 3.05Å; R448-S452 VanDerWaalsContact O-CB 3.3Å; R448-S452 WeakPolarHBondContact O-CB 3.33Å; R448-S452 PolarHBondContact O-N 3.41Å; R448-S452 PolarHBondContact O-OG 2.88Å; R448-F474 HydrophobicContact CB-CD1 3.87Å; R448-F474 HydrophobicContact CB-CE1 3.72Å; R448-F474 HydrophobicContact CB-CG 4.33Å; R448-F474 HydrophobicContact CB-CZ 4.08Å; R448-F474 HydrophobicContact CG-CB 4.35Å; R448-F474 HydrophobicContact CG-CD1 3.87Å; R448-F474 HydrophobicContact CG-CD2 4.34Å; R448-F474 HydrophobicContact CG-CE1 4.22Å; R448-F474 HydrophobicContact CG-CG 3.93Å |
| 449 | Y | 97.2 | Very high | 96.9 | Very high | 139 Ų | 139 | 45 Ų | 45 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.3 | -52.5 | 178.8 | 176.7 | -90.1 | 0 | 0 | 0 | 110.9 | D447 N451 S452 K453 | D447-Y449 VanDerWaalsContact C-N 3.28Å; D447-Y449 PolarHBondContact O-N 2.68Å; D447-Y449 VanDerWaalsContact OD1-CB 3.29Å; D447-Y449 WeakPolarHBondContact OD1-CB 3.39Å; D447-Y449 PolarHBondContact OD1-N 2.88Å; Y449-N451 VanDerWaalsContact C-N 3.33Å; Y449-N451 PolarHBondContact O-N 3.17Å; Y449-S452 PolarHBondContact O-N 3.19Å; Y449-K453 HydrophobicContact CD1-CG 4.37Å; Y449-K453 HydrophobicContact CE1-CG 3.95Å; Y449-K453 PolarHBondContact O-N 3.34Å; Y449-K453 VanDerWaalsContact OH-CE 3.24Å; Y449-K453 WeakPolarHBondContact OH-CE 3.47Å |
| 450 | V | 96.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -40.4 | 177.2 | -179 | 0 | 0 | 0 | 0 | 110.5 | I414 A440 Q441 D447 S452 K453 C454 | I414-V450 HydrophobicContact CG2-CG2 4.06Å; A440-V450 HydrophobicContact CB-CG1 4.02Å; Q441-V450 HydrophobicContact CB-CG1 4Å; D447-V450 WeakPolarHBondContact OD2-CG2 3.43Å; V450-S452 PolarHBondContact O-N 3.18Å; V450-K453 WeakPolarHBondContact O-CB 3.44Å; V450-K453 PolarHBondContact O-N 3.26Å; V450-C454 WeakPolarHBondContact O-CB 3.36Å; V450-C454 PolarHBondContact O-N 3.18Å |
| 451 | N | 97.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.011 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.9 | -47 | 173.2 | -177.3 | -79.8 | 0 | 0 | 0 | 112.6 | Q441 D447 Y449 K453 C454 A455 I470 F474 | Q441-N451 HydrophobicContact CG-CB 4.38Å; D447-N451 WeakPolarHBondContact O-CB 3.17Å; D447-N451 PolarHBondContact O-N 3.34Å; D447-N451 VanDerWaalsContact O-N 3.15Å; Y449-N451 VanDerWaalsContact C-N 3.33Å; Y449-N451 PolarHBondContact O-N 3.17Å; N451-K453 VanDerWaalsContact C-N 3.34Å; N451-K453 PolarHBondContact O-N 2.83Å; N451-C454 WeakPolarHBondContact O-CB 3.49Å; N451-C454 PolarHBondContact O-N 2.85Å; N451-A455 PolarHBondContact O-N 3.44Å; N451-I470 WeakPolarHBondContact ND2-CG2 3.46Å; N451-I470 PolarHBondContact ND2-O 2.95Å; N451-I470 WeakPolarHBondContact O-CG2 3.33Å; N451-I470 PolarHBondContact OD1-O 3.28Å; N451-F474 HydrophobicContact CB-CD2 3.93Å; N451-F474 HydrophobicContact CB-CE2 3.51Å; N451-F474 HydrophobicContact CB-CZ 4.4Å; N451-F474 VanDerWaalsContact CG-CD2 3.45Å; N451-F474 VanDerWaalsContact CG-CE2 3.45Å; N451-F474 WeakPolarHBondContact ND2-CE2 3.47Å |
| 452 | S | 98 | Very high | 96.3 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 178.5 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | R448 Y449 V450 K456 W492 | R448-S452 VanDerWaalsContact O-CB 3.3Å; R448-S452 WeakPolarHBondContact O-CB 3.33Å; R448-S452 PolarHBondContact O-N 3.41Å; R448-S452 PolarHBondContact O-OG 2.88Å; Y449-S452 PolarHBondContact O-N 3.19Å; V450-S452 PolarHBondContact O-N 3.18Å; S452-K456 VanDerWaalsContact O-CB 3.28Å; S452-K456 WeakPolarHBondContact O-CB 3.45Å; S452-K456 PolarHBondContact O-N 2.65Å; S452-W492 WeakPolarHBondContact O-CH2 3.44Å |
| 453 | K | 97.3 | Very high | 96.3 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.2 | -80.8 | -77.3 | -172.1 | 165.1 | 0 | 112 | I437 Y449 V450 N451 K456 Y457 | I437-K453 HydrophobicContact CD1-CB 4.14Å; I437-K453 HydrophobicContact CG1-CB 4.17Å; Y449-K453 HydrophobicContact CD1-CG 4.37Å; Y449-K453 HydrophobicContact CE1-CG 3.95Å; Y449-K453 PolarHBondContact O-N 3.34Å; Y449-K453 VanDerWaalsContact OH-CE 3.24Å; Y449-K453 WeakPolarHBondContact OH-CE 3.47Å; V450-K453 WeakPolarHBondContact O-CB 3.44Å; V450-K453 PolarHBondContact O-N 3.26Å; N451-K453 VanDerWaalsContact C-N 3.34Å; N451-K453 PolarHBondContact O-N 2.83Å; K453-K456 WeakPolarHBondContact O-CB 3.22Å; K453-K456 PolarHBondContact O-N 2.97Å; K453-Y457 HydrophobicContact CD-CE1 4.47Å; K453-Y457 WeakPolarHBondContact O-CD1 3.29Å; K453-Y457 PolarHBondContact O-N 3.31Å |
| 454 | C | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.5 | -53.5 | 176.7 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | I437 Q441 V450 N451 K456 Y457 M458 I470 | I437-C454 HydrophobicContact CG1-CB 4.19Å; I437-C454 HydrophobicContact CG2-CB 4.2Å; Q441-C454 HydrophobicContact CB-CB 4.14Å; Q441-C454 HydrophobicContact CG-CB 4.22Å; V450-C454 WeakPolarHBondContact O-CB 3.36Å; V450-C454 PolarHBondContact O-N 3.18Å; N451-C454 WeakPolarHBondContact O-CB 3.49Å; N451-C454 PolarHBondContact O-N 2.85Å; C454-K456 VanDerWaalsContact C-N 3.3Å; C454-K456 PolarHBondContact O-N 2.75Å; C454-Y457 PolarHBondContact O-N 2.93Å; C454-Y457 VanDerWaalsContact O-N 3.08Å; C454-M458 WeakPolarHBondContact O-CG 3.23Å; C454-M458 PolarHBondContact O-N 3.14Å; C454-I470 HydrophobicContact CB-CG2 4.21Å |
| 455 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.5 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N451 Y457 M458 L459 A467 I470 C471 W492 | N451-A455 PolarHBondContact O-N 3.44Å; A455-Y457 PolarHBondContact O-N 3.37Å; A455-M458 PolarHBondContact O-N 3.45Å; A455-L459 WeakPolarHBondContact O-CG 3.34Å; A455-L459 PolarHBondContact O-N 2.91Å; A455-A467 HydrophobicContact CB-CB 4.32Å; A455-A467 WeakPolarHBondContact O-CB 3.37Å; A455-I470 HydrophobicContact CB-CB 4.34Å; A455-I470 HydrophobicContact CB-CG2 4Å; A455-C471 WeakPolarHBondContact CB-SG 3.43Å; A455-W492 HydrophobicContact CB-CH2 4.29Å |
| 456 | K | 98.2 | Very high | 96.3 | Very high | 65 Ų | 65 | 42.5 Ų | 42.5 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 175.5 | 177.5 | 168.6 | -179.1 | 158.1 | 0 | 112.6 | S452 K453 C454 L459 Q460 W492 E496 | S452-K456 VanDerWaalsContact O-CB 3.28Å; S452-K456 WeakPolarHBondContact O-CB 3.45Å; S452-K456 PolarHBondContact O-N 2.65Å; K453-K456 WeakPolarHBondContact O-CB 3.22Å; K453-K456 PolarHBondContact O-N 2.97Å; C454-K456 VanDerWaalsContact C-N 3.3Å; C454-K456 PolarHBondContact O-N 2.75Å; K456-L459 PolarHBondContact O-N 3Å; K456-Q460 VanDerWaalsContact CE-NE2 3.26Å; K456-Q460 VanDerWaalsContact O-CG 3.27Å; K456-Q460 WeakPolarHBondContact O-CG 3.38Å; K456-Q460 PolarHBondContact O-N 3.46Å; K456-W492 HydrophobicContact CB-CE3 4.5Å; K456-W492 HydrophobicContact CB-CZ3 3.82Å; K456-E496 WeakPolarHBondContact CE-OE1 3.34Å; K456-E496 HydrophobicContact CG-CG 4.29Å; K456-E496 IonicContact NZ-OE1 3.53Å; K456-E496 PolarHBondContact NZ-OE1 3.38Å |
| 457 | Y | 97.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.7 | -39.4 | -179.9 | -82.3 | 31.9 | 0 | 0 | 0 | 110.5 | A421 K425 A433 V434 I437 K453 C454 A455 Q460 A461 | A421-Y457 HydrophobicContact CB-CD2 4.36Å; A421-Y457 HydrophobicContact CB-CE2 3.84Å; K425-Y457 HydrophobicContact CB-CE2 4.18Å; K425-Y457 HydrophobicContact CD-CE1 3.81Å; K425-Y457 HydrophobicContact CD-CE2 4.17Å; K425-Y457 PolarHBondContact NZ-OH 2.57Å; K425-Y457 VanDerWaalsContact NZ-OH 3.09Å; A433-Y457 HydrophobicContact CB-CD2 3.94Å; A433-Y457 HydrophobicContact CB-CE2 4.15Å; V434-Y457 WeakPolarHBondContact CG2-O 3.43Å; I437-Y457 HydrophobicContact CB-CD2 4.08Å; I437-Y457 HydrophobicContact CG1-CD2 4.48Å; I437-Y457 HydrophobicContact CG2-CD2 3.82Å; I437-Y457 HydrophobicContact CG2-CG 4.09Å; K453-Y457 HydrophobicContact CD-CE1 4.47Å; K453-Y457 WeakPolarHBondContact O-CD1 3.29Å; K453-Y457 PolarHBondContact O-N 3.31Å; C454-Y457 PolarHBondContact O-N 2.93Å; C454-Y457 VanDerWaalsContact O-N 3.08Å; A455-Y457 PolarHBondContact O-N 3.37Å; Y457-Q460 PolarHBondContact O-N 2.97Å; Y457-Q460 VanDerWaalsContact O-N 3.17Å; Y457-A461 WeakPolarHBondContact O-CB 3.43Å; Y457-A461 PolarHBondContact O-N 3.07Å |
| 458 | M | 97.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | 172.4 | -73.2 | 177.3 | 172.9 | 0 | 0 | 111.4 | V434 E438 C454 A455 Q460 A461 G462 M463 E466 A467 I470 | V434-M458 HydrophobicContact CG1-CE 4.14Å; V434-M458 HydrophobicContact CG1-CG 3.69Å; V434-M458 HydrophobicContact CG2-CG 4.29Å; E438-M458 HydrophobicContact CG-CE 4.47Å; C454-M458 WeakPolarHBondContact O-CG 3.23Å; C454-M458 PolarHBondContact O-N 3.14Å; A455-M458 PolarHBondContact O-N 3.45Å; M458-Q460 VanDerWaalsContact C-N 3.32Å; M458-Q460 PolarHBondContact O-N 2.89Å; M458-A461 CarbonylContact O-C 3.56Å; M458-A461 PolarHBondContact O-N 3.39Å; M458-A461 VanDerWaalsContact O-N 3.09Å; M458-G462 PolarHBondContact O-N 3.43Å; M458-G462 VanDerWaalsContact O-N 3.1Å; M458-M463 HydrophobicContact CB-CB 4.06Å; M458-M463 PolarHBondContact O-N 2.61Å; M458-E466 HydrophobicContact CE-CB 4.49Å; M458-E466 HydrophobicContact SD-CB 3.87Å; M458-A467 HydrophobicContact CB-CB 3.81Å; M458-I470 HydrophobicContact CE-CD1 4.21Å; M458-I470 HydrophobicContact CE-CG1 3.68Å; M458-I470 HydrophobicContact SD-CB 4.33Å; M458-I470 HydrophobicContact SD-CG1 3.5Å; M458-I470 VanDerWaalsContact SD-CG1 3.5Å |
| 459 | L | 96.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 174.5 | -69.7 | 172 | 0 | 0 | 0 | 112.1 | A455 K456 A461 G462 I464 A467 F493 E496 C497 A500 | A455-L459 WeakPolarHBondContact O-CG 3.34Å; A455-L459 PolarHBondContact O-N 2.91Å; K456-L459 PolarHBondContact O-N 3Å; L459-A461 PolarHBondContact O-N 2.64Å; L459-G462 PolarHBondContact O-N 3.42Å; L459-G462 VanDerWaalsContact O-N 3.09Å; L459-I464 HydrophobicContact CD2-CB 4.31Å; L459-I464 HydrophobicContact CD2-CG1 4.09Å; L459-I464 HydrophobicContact CD2-CG2 4.19Å; L459-A467 HydrophobicContact CD1-CB 4.49Å; L459-A467 HydrophobicContact CD2-CB 3.71Å; L459-A467 HydrophobicContact CG-CB 3.62Å; L459-F493 HydrophobicContact CD1-CD2 3.8Å; L459-F493 HydrophobicContact CD1-CE2 3.9Å; L459-E496 HydrophobicContact CB-CB 4.13Å; L459-E496 HydrophobicContact CD1-CB 3.68Å; L459-C497 VanDerWaalsContact CD2-SG 3.52Å; L459-A500 WeakPolarHBondContact O-CB 3.2Å |
| 460 | Q | 93.8 | Very high | 96.1 | Very high | 42 Ų | 42 | 30.9 Ų | 30.9 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67 | -26.2 | 178.4 | -71.4 | 179.6 | -4.9 | 0 | 0 | 113.1 | R430 K456 Y457 M458 E496 | R430-Q460 WeakPolarHBondContact CD-O 3.48Å; R430-Q460 PolarHBondContact NH1-O 2.97Å; K456-Q460 VanDerWaalsContact CE-NE2 3.26Å; K456-Q460 VanDerWaalsContact O-CG 3.27Å; K456-Q460 WeakPolarHBondContact O-CG 3.38Å; K456-Q460 PolarHBondContact O-N 3.46Å; Y457-Q460 PolarHBondContact O-N 2.97Å; Y457-Q460 VanDerWaalsContact O-N 3.17Å; M458-Q460 VanDerWaalsContact C-N 3.32Å; M458-Q460 PolarHBondContact O-N 2.89Å; Q460-E496 PolarHBondContact NE2-OE1 2.95Å; Q460-E496 PolarHBondContact NE2-OE2 3.32Å |
| 461 | A | 93.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 31 Ų | 31 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -3.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R430 V434 Y457 M458 L459 M463 | R430-A461 HydrophobicContact CB-CB 4.08Å; V434-A461 HydrophobicContact CG2-CB 3.71Å; Y457-A461 WeakPolarHBondContact O-CB 3.43Å; Y457-A461 PolarHBondContact O-N 3.07Å; M458-A461 CarbonylContact O-C 3.56Å; M458-A461 PolarHBondContact O-N 3.39Å; M458-A461 VanDerWaalsContact O-N 3.09Å; L459-A461 PolarHBondContact O-N 2.64Å; A461-M463 HydrophobicContact CB-CG 4.42Å; A461-M463 HydrophobicContact CB-SD 4.47Å |
| 462 | G | 91.3 | Very high | 96 | Very high | 20 Ų | 20 | 33.3 Ų | 33.3 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 17.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | M458 L459 I464 M504 | M458-G462 PolarHBondContact O-N 3.43Å; M458-G462 VanDerWaalsContact O-N 3.1Å; L459-G462 PolarHBondContact O-N 3.42Å; L459-G462 VanDerWaalsContact O-N 3.09Å; G462-I464 PolarHBondContact O-N 2.93Å; G462-M504 VanDerWaalsContact C-CE 3.41Å; G462-M504 WeakPolarHBondContact O-CE 3.2Å |
| 463 | M | 95 | Very high | 95.8 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 28% | 0.281 | 20% | 0.196 | S | C | . | . | trans | -96.8 | 67.5 | 178.4 | -60.3 | 175.7 | 69.8 | 0 | 0 | 110 | V434 M458 A461 E466 A467 | V434-M463 HydrophobicContact CG1-SD 4.05Å; M458-M463 HydrophobicContact CB-CB 4.06Å; M458-M463 PolarHBondContact O-N 2.61Å; A461-M463 HydrophobicContact CB-CG 4.42Å; A461-M463 HydrophobicContact CB-SD 4.47Å; M463-E466 VanDerWaalsContact C-OE2 3.3Å; M463-E466 WeakPolarHBondContact CA-OE2 3.49Å; M463-E466 HydrophobicContact CB-CB 4.16Å; M463-E466 HydrophobicContact CB-CG 4.4Å; M463-E466 HydrophobicContact CE-CB 4.3Å; M463-E466 HydrophobicContact CE-CG 3.9Å; M463-A467 WeakPolarHBondContact O-CB 3.36Å; M463-A467 PolarHBondContact O-N 2.94Å | ||
| 464 | I | 94.5 | Very high | 95.7 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 8% | 0.077 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.9 | -42 | -170.5 | -60.3 | 174.9 | 0 | 0 | 0 | 111.5 | L459 G462 E466 A467 I468 A500 F501 M504 | L459-I464 HydrophobicContact CD2-CB 4.31Å; L459-I464 HydrophobicContact CD2-CG1 4.09Å; L459-I464 HydrophobicContact CD2-CG2 4.19Å; G462-I464 PolarHBondContact O-N 2.93Å; I464-E466 PolarHBondContact O-N 3.03Å; I464-A467 PolarHBondContact O-N 3.19Å; I464-I468 HydrophobicContact CG2-CD1 4.09Å; I464-I468 WeakPolarHBondContact O-CG1 3.36Å; I464-I468 PolarHBondContact O-N 3.22Å; I464-A500 HydrophobicContact CD1-CB 3.78Å; I464-A500 HydrophobicContact CG1-CB 3.92Å; I464-F501 HydrophobicContact CD1-CD1 3.47Å; I464-F501 VanDerWaalsContact CD1-CD1 3.47Å; I464-F501 HydrophobicContact CD1-CD2 4.5Å; I464-F501 HydrophobicContact CD1-CE1 3.43Å; I464-F501 VanDerWaalsContact CD1-CE1 3.43Å; I464-F501 HydrophobicContact CD1-CE2 4.46Å; I464-F501 HydrophobicContact CD1-CG 4.03Å; I464-F501 HydrophobicContact CD1-CZ 3.96Å; I464-F501 HydrophobicContact CG2-CE1 4.28Å; I464-F501 HydrophobicContact CG2-CZ 3.93Å; I464-M504 HydrophobicContact CD1-CE 3.58Å; I464-M504 HydrophobicContact CD1-SD 3.76Å; I464-M504 HydrophobicContact CG1-CE 3.8Å |
| 465 | T | 95.2 | Very high | 95.5 | Very high | 94 Ų | 94 | 38.7 Ų | 38.7 | 58% | 0.577 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.5 | -43.2 | 179.7 | 28.1 | 0 | 0 | 0 | 0 | 112.2 | I468 I469 | T465-I468 PolarHBondContact O-N 3.47Å; T465-I469 WeakPolarHBondContact O-CG1 3.38Å; T465-I469 PolarHBondContact O-N 3.3Å; T465-I469 VanDerWaalsContact O-N 3.1Å |
| 466 | E | 95.9 | Very high | 95.1 | Very high | 74 Ų | 74 | 48 Ų | 48 | 35% | 0.346 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.3 | -42 | 179.2 | -61.6 | 85.1 | 162.7 | 0 | 0 | 110.2 | M458 M463 I464 I468 I469 I470 | M458-E466 HydrophobicContact CE-CB 4.49Å; M458-E466 HydrophobicContact SD-CB 3.87Å; M463-E466 VanDerWaalsContact C-OE2 3.3Å; M463-E466 WeakPolarHBondContact CA-OE2 3.49Å; M463-E466 HydrophobicContact CB-CB 4.16Å; M463-E466 HydrophobicContact CB-CG 4.4Å; M463-E466 HydrophobicContact CE-CB 4.3Å; M463-E466 HydrophobicContact CE-CG 3.9Å; I464-E466 PolarHBondContact O-N 3.03Å; E466-I468 VanDerWaalsContact C-N 3.29Å; E466-I468 PolarHBondContact O-N 3.21Å; E466-I469 PolarHBondContact O-N 3.25Å; E466-I469 VanDerWaalsContact O-N 3.12Å; E466-I470 WeakPolarHBondContact O-CG1 3.36Å; E466-I470 PolarHBondContact O-N 3.1Å |
| 467 | A | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A455 M458 L459 M463 I464 I470 C471 | A455-A467 HydrophobicContact CB-CB 4.32Å; A455-A467 WeakPolarHBondContact O-CB 3.37Å; M458-A467 HydrophobicContact CB-CB 3.81Å; L459-A467 HydrophobicContact CD1-CB 4.49Å; L459-A467 HydrophobicContact CD2-CB 3.71Å; L459-A467 HydrophobicContact CG-CB 3.62Å; M463-A467 WeakPolarHBondContact O-CB 3.36Å; M463-A467 PolarHBondContact O-N 2.94Å; I464-A467 PolarHBondContact O-N 3.19Å; A467-I470 PolarHBondContact O-N 2.76Å; A467-C471 PolarHBondContact O-N 2.94Å; A467-C471 PolarHBondContact O-SG 2.88Å |
| 468 | I | 96 | Very high | 93.9 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.8 | -68.2 | 163.9 | 0 | 0 | 0 | 110.5 | I464 T465 E466 I470 C471 S472 T481 V482 F493 | I464-I468 HydrophobicContact CG2-CD1 4.09Å; I464-I468 WeakPolarHBondContact O-CG1 3.36Å; I464-I468 PolarHBondContact O-N 3.22Å; T465-I468 PolarHBondContact O-N 3.47Å; E466-I468 VanDerWaalsContact C-N 3.29Å; E466-I468 PolarHBondContact O-N 3.21Å; I468-I470 PolarHBondContact O-N 3.01Å; I468-C471 PolarHBondContact O-N 3.22Å; I468-S472 PolarHBondContact O-N 3.43Å; I468-T481 HydrophobicContact CG2-CG2 4.18Å; I468-V482 HydrophobicContact CD1-CG2 3.81Å; I468-V482 HydrophobicContact CG1-CG2 4.04Å; I468-V482 HydrophobicContact CG2-CG2 4.28Å; I468-F493 HydrophobicContact CG1-CZ 3.97Å |
| 469 | I | 95.4 | Very high | 93.4 | Very high | 103 Ų | 103 | 59.2 Ų | 59.2 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 177.2 | -66 | 164.4 | 0 | 0 | 0 | 111.3 | T465 E466 S472 | T465-I469 WeakPolarHBondContact O-CG1 3.38Å; T465-I469 PolarHBondContact O-N 3.3Å; T465-I469 VanDerWaalsContact O-N 3.1Å; E466-I469 PolarHBondContact O-N 3.25Å; E466-I469 VanDerWaalsContact O-N 3.12Å; I469-S472 PolarHBondContact O-N 2.9Å; I469-S472 PolarHBondContact O-OG 3.29Å |
| 470 | I | 95.5 | Very high | 93 | Very high | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 175.7 | -69.8 | -58.3 | 0 | 0 | 0 | 110.9 | N451 C454 A455 M458 E466 A467 I468 S472 K473 | N451-I470 WeakPolarHBondContact ND2-CG2 3.46Å; N451-I470 PolarHBondContact ND2-O 2.95Å; N451-I470 WeakPolarHBondContact O-CG2 3.33Å; N451-I470 PolarHBondContact OD1-O 3.28Å; C454-I470 HydrophobicContact CB-CG2 4.21Å; A455-I470 HydrophobicContact CB-CB 4.34Å; A455-I470 HydrophobicContact CB-CG2 4Å; M458-I470 HydrophobicContact CE-CD1 4.21Å; M458-I470 HydrophobicContact CE-CG1 3.68Å; M458-I470 HydrophobicContact SD-CB 4.33Å; M458-I470 HydrophobicContact SD-CG1 3.5Å; M458-I470 VanDerWaalsContact SD-CG1 3.5Å; E466-I470 WeakPolarHBondContact O-CG1 3.36Å; E466-I470 PolarHBondContact O-N 3.1Å; A467-I470 PolarHBondContact O-N 2.76Å; I468-I470 PolarHBondContact O-N 3.01Å; I470-S472 VanDerWaalsContact C-N 3.28Å; I470-S472 PolarHBondContact O-N 3.02Å; I470-K473 WeakPolarHBondContact O-CB 3.45Å; I470-K473 WeakPolarHBondContact O-CG 3.45Å; I470-K473 PolarHBondContact O-N 3.18Å |
| 471 | C | 96.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.8 | -30.7 | 176.3 | -72.6 | 0 | 0 | 0 | 0 | 113 | A455 A467 I468 K473 F474 T475 T481 L485 | A455-C471 WeakPolarHBondContact CB-SG 3.43Å; A467-C471 PolarHBondContact O-N 2.94Å; A467-C471 PolarHBondContact O-SG 2.88Å; I468-C471 PolarHBondContact O-N 3.22Å; C471-K473 PolarHBondContact O-N 3.5Å; C471-K473 VanDerWaalsContact O-N 3.1Å; C471-F474 PolarHBondContact O-N 3.07Å; C471-T475 PolarHBondContact O-N 3.35Å; C471-T481 HydrophobicContact CB-CG2 3.83Å; C471-L485 HydrophobicContact CB-CD1 4.05Å |
| 472 | S | 95.4 | Very high | 92.8 | Very high | 50 Ų | 50 | 65 Ų | 65 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -22.7 | -176.7 | 80.4 | 0 | 0 | 0 | 0 | 113 | I468 I469 I470 F474 T475 T481 | I468-S472 PolarHBondContact O-N 3.43Å; I469-S472 PolarHBondContact O-N 2.9Å; I469-S472 PolarHBondContact O-OG 3.29Å; I470-S472 VanDerWaalsContact C-N 3.28Å; I470-S472 PolarHBondContact O-N 3.02Å; S472-F474 PolarHBondContact O-N 2.92Å; S472-T475 WeakPolarHBondContact CA-OG1 3.32Å; S472-T475 PolarHBondContact O-N 3.27Å; S472-T475 PolarHBondContact O-OG1 2.94Å; S472-T481 WeakPolarHBondContact CA-OG1 3.33Å; S472-T481 WeakPolarHBondContact CB-OG1 3.43Å |
| 473 | K | 93.9 | Very high | 92.8 | Very high | 112 Ų | 112 | 67.7 Ų | 67.7 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.3 | 174.9 | -58.1 | -177.9 | -173.9 | -179.1 | 0 | 113.4 | I470 C471 | I470-K473 WeakPolarHBondContact O-CB 3.45Å; I470-K473 WeakPolarHBondContact O-CG 3.45Å; I470-K473 PolarHBondContact O-N 3.18Å; C471-K473 PolarHBondContact O-N 3.5Å; C471-K473 VanDerWaalsContact O-N 3.1Å |
| 474 | F | 95.5 | Very high | 92.7 | Very high | 64 Ų | 64 | 65.7 Ų | 65.7 | 28% | 0.281 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 6.8 | -178.1 | -71.7 | -88.9 | 0 | 0 | 0 | 113.7 | A446 R448 N451 C471 S472 | A446-F474 WeakPolarHBondContact O-CE1 3.5Å; A446-F474 WeakPolarHBondContact O-CZ 3.46Å; R448-F474 HydrophobicContact CB-CD1 3.87Å; R448-F474 HydrophobicContact CB-CE1 3.72Å; R448-F474 HydrophobicContact CB-CG 4.33Å; R448-F474 HydrophobicContact CB-CZ 4.08Å; R448-F474 HydrophobicContact CG-CB 4.35Å; R448-F474 HydrophobicContact CG-CD1 3.87Å; R448-F474 HydrophobicContact CG-CD2 4.34Å; R448-F474 HydrophobicContact CG-CE1 4.22Å; R448-F474 HydrophobicContact CG-CG 3.93Å; N451-F474 HydrophobicContact CB-CD2 3.93Å; N451-F474 HydrophobicContact CB-CE2 3.51Å; N451-F474 HydrophobicContact CB-CZ 4.4Å; N451-F474 VanDerWaalsContact CG-CD2 3.45Å; N451-F474 VanDerWaalsContact CG-CE2 3.45Å; N451-F474 WeakPolarHBondContact ND2-CE2 3.47Å; C471-F474 PolarHBondContact O-N 3.07Å; S472-F474 PolarHBondContact O-N 2.92Å |
| 475 | T | 93.8 | Very high | 92.8 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -96.8 | 160 | 174.9 | 57 | 0 | 0 | 0 | 0 | 111.7 | C471 S472 E477 T481 L485 | C471-T475 PolarHBondContact O-N 3.35Å; S472-T475 WeakPolarHBondContact CA-OG1 3.32Å; S472-T475 PolarHBondContact O-N 3.27Å; S472-T475 PolarHBondContact O-OG1 2.94Å; T475-E477 PolarHBondContact O-N 3.23Å; T475-T481 HydrophobicContact CG2-CG2 3.68Å; T475-T481 PolarHBondContact OG1-OG1 2.85Å; T475-L485 HydrophobicContact CG2-CD2 4.06Å; T475-L485 HydrophobicContact CG2-CG 4.06Å |
| 476 | R | 88.8 | Confident | 92.7 | Very high | 194 Ų | 194 | 61.6 Ų | 61.6 | 73% | 0.732 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 134.1 | -179.5 | -171.4 | 179 | -180 | 178.4 | 1 | 111.2 | ||
| 477 | E | 86.5 | Confident | 92.5 | Very high | 187 Ų | 187 | 61.9 Ų | 61.9 | 87% | 0.874 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 142.6 | 173.7 | -66.4 | -175.1 | 171.9 | 0 | 0 | 111.7 | T475 V479 | T475-E477 PolarHBondContact O-N 3.23Å; E477-V479 VanDerWaalsContact C-N 3.33Å; E477-V479 PolarHBondContact O-N 3.47Å |
| 478 | G | 85.4 | Confident | 92.4 | Very high | 69 Ų | 69 | 68.6 Ų | 68.6 | 71% | 0.711 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | -2.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 479 | V | 85.7 | Confident | 92.5 | Very high | 59 Ų | 59 | 70 Ų | 70 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -115.1 | 144.9 | 172.1 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | E477 T481 D483 | E477-V479 VanDerWaalsContact C-N 3.33Å; E477-V479 PolarHBondContact O-N 3.47Å; V479-T481 PolarHBondContact O-N 3.48Å; V479-D483 HydrophobicContact CG1-CB 4.19Å |
| 480 | Q | 89.4 | Confident | 92.6 | Very high | 132 Ų | 132 | 65.9 Ų | 65.9 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | trans | -62.4 | 135.4 | 172.9 | -62.4 | -170.5 | 15.8 | 0 | 0 | 109.5 | V482 D483 S484 | Q480-V482 PolarHBondContact O-N 3.06Å; Q480-D483 HydrophobicContact CB-CB 4.4Å; Q480-D483 WeakPolarHBondContact CB-OD2 3.47Å; Q480-D483 PolarHBondContact O-N 3.37Å; Q480-S484 PolarHBondContact O-N 2.94Å | ||
| 481 | T | 91.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 66.5 Ų | 66.5 | 12% | 0.117 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.4 | -40.5 | -176.8 | -59 | 0 | 0 | 0 | 0 | 112.7 | I468 C471 S472 T475 V479 S484 L485 | I468-T481 HydrophobicContact CG2-CG2 4.18Å; C471-T481 HydrophobicContact CB-CG2 3.83Å; S472-T481 WeakPolarHBondContact CA-OG1 3.33Å; S472-T481 WeakPolarHBondContact CB-OG1 3.43Å; T475-T481 HydrophobicContact CG2-CG2 3.68Å; T475-T481 PolarHBondContact OG1-OG1 2.85Å; V479-T481 PolarHBondContact O-N 3.48Å; T481-S484 PolarHBondContact O-N 3.13Å; T481-L485 HydrophobicContact CG2-CD1 4.04Å; T481-L485 HydrophobicContact CG2-CG 4.45Å; T481-L485 WeakPolarHBondContact O-CB 3.33Å; T481-L485 VanDerWaalsContact O-CG 3.24Å; T481-L485 WeakPolarHBondContact O-CG 3.29Å; T481-L485 PolarHBondContact O-N 2.92Å |
| 482 | V | 91.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 69.3 Ų | 69.3 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 179.6 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | I468 Q480 L485 N486 K513 | I468-V482 HydrophobicContact CD1-CG2 3.81Å; I468-V482 HydrophobicContact CG1-CG2 4.04Å; I468-V482 HydrophobicContact CG2-CG2 4.28Å; Q480-V482 PolarHBondContact O-N 3.06Å; V482-L485 PolarHBondContact O-N 2.65Å; V482-N486 WeakPolarHBondContact O-CB 3.39Å; V482-N486 PolarHBondContact O-N 3.41Å; V482-K513 VanDerWaalsContact CG1-NZ 3.26Å |
| 483 | D | 90.9 | Very high | 92.9 | Very high | 76 Ų | 76 | 67 Ų | 67 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 178.2 | -59.5 | -25.6 | 0 | 0 | 0 | 110.1 | V479 Q480 L485 N486 D487 | V479-D483 HydrophobicContact CG1-CB 4.19Å; Q480-D483 HydrophobicContact CB-CB 4.4Å; Q480-D483 WeakPolarHBondContact CB-OD2 3.47Å; Q480-D483 PolarHBondContact O-N 3.37Å; D483-L485 VanDerWaalsContact C-N 3.32Å; D483-L485 PolarHBondContact O-N 2.97Å; D483-N486 WeakPolarHBondContact O-CB 3.46Å; D483-N486 PolarHBondContact O-N 3.35Å; D483-N486 VanDerWaalsContact O-N 3.11Å; D483-D487 VanDerWaalsContact O-CG 3.29Å; D483-D487 PolarHBondContact O-N 3.14Å |
| 484 | S | 93.3 | Very high | 93 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -39.2 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | Q480 T481 M488 | Q480-S484 PolarHBondContact O-N 2.94Å; T481-S484 PolarHBondContact O-N 3.13Å; S484-M488 VanDerWaalsContact O-CG 3.25Å; S484-M488 WeakPolarHBondContact O-CG 3.19Å; S484-M488 PolarHBondContact O-N 3.45Å |
| 485 | L | 95.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.2 | -35.4 | 176.3 | -71.3 | 173.2 | 0 | 0 | 0 | 111.9 | C471 T475 T481 V482 D483 M488 Q489 C490 F493 | C471-L485 HydrophobicContact CB-CD1 4.05Å; T475-L485 HydrophobicContact CG2-CD2 4.06Å; T475-L485 HydrophobicContact CG2-CG 4.06Å; T481-L485 HydrophobicContact CG2-CD1 4.04Å; T481-L485 HydrophobicContact CG2-CG 4.45Å; T481-L485 WeakPolarHBondContact O-CB 3.33Å; T481-L485 VanDerWaalsContact O-CG 3.24Å; T481-L485 WeakPolarHBondContact O-CG 3.29Å; T481-L485 PolarHBondContact O-N 2.92Å; V482-L485 PolarHBondContact O-N 2.65Å; D483-L485 VanDerWaalsContact C-N 3.32Å; D483-L485 PolarHBondContact O-N 2.97Å; L485-M488 PolarHBondContact O-N 2.71Å; L485-Q489 PolarHBondContact O-N 2.94Å; L485-C490 HydrophobicContact CB-CB 4.03Å; L485-C490 HydrophobicContact CD2-CB 4.07Å; L485-C490 WeakPolarHBondContact O-CB 3.31Å; L485-C490 PolarHBondContact O-N 3.42Å; L485-F493 HydrophobicContact CB-CD1 4.38Å; L485-F493 HydrophobicContact CD1-CD1 3.6Å; L485-F493 HydrophobicContact CD1-CD2 4Å; L485-F493 HydrophobicContact CD1-CE1 3.68Å; L485-F493 HydrophobicContact CD1-CE2 4.06Å; L485-F493 HydrophobicContact CD1-CG 3.77Å; L485-F493 HydrophobicContact CD1-CZ 3.91Å |
| 486 | N | 94 | Very high | 93.3 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 174.8 | -177.2 | -106.5 | 0 | 0 | 0 | 111.4 | V482 D483 M488 Q489 E494 R519 H520 | V482-N486 WeakPolarHBondContact O-CB 3.39Å; V482-N486 PolarHBondContact O-N 3.41Å; D483-N486 WeakPolarHBondContact O-CB 3.46Å; D483-N486 PolarHBondContact O-N 3.35Å; D483-N486 VanDerWaalsContact O-N 3.11Å; N486-M488 PolarHBondContact O-N 3.04Å; N486-Q489 PolarHBondContact O-N 3.24Å; N486-E494 WeakPolarHBondContact CA-OE1 3.44Å; N486-E494 PolarHBondContact ND2-OE1 3.08Å; N486-R519 PolarHBondContact OD1-NH2 3.21Å; N486-H520 PolarHBondContact ND2-CE1 3.15Å; N486-H520 PolarHBondContact ND2-NE2 3.45Å; N486-H520 PolarHBondContact O-CE1 3.01Å |
| 487 | D | 91.6 | Very high | 93.7 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 43% | 0.428 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.9 | -36.6 | 175.3 | -71.5 | -24.9 | 0 | 0 | 0 | 112.4 | D483 Q489 R639 | D483-D487 VanDerWaalsContact O-CG 3.29Å; D483-D487 PolarHBondContact O-N 3.14Å; D487-Q489 PolarHBondContact O-N 2.95Å; D487-R639 IonicContact OD1-CZ 3.36Å; D487-R639 IonicContact OD1-NH1 3.73Å; D487-R639 PolarHBondContact OD1-NH1 3.22Å; D487-R639 IonicContact OD1-NH2 3.98Å |
| 488 | M | 95.1 | Very high | 94.2 | Very high | 141 Ų | 141 | 40.6 Ų | 40.6 | 70% | 0.695 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 12.2 | 176.9 | -61.8 | -56.1 | -54.6 | 0 | 0 | 113.4 | S484 L485 N486 C490 | S484-M488 VanDerWaalsContact O-CG 3.25Å; S484-M488 WeakPolarHBondContact O-CG 3.19Å; S484-M488 PolarHBondContact O-N 3.45Å; L485-M488 PolarHBondContact O-N 2.71Å; N486-M488 PolarHBondContact O-N 3.04Å; M488-C490 VanDerWaalsContact C-N 3.27Å; M488-C490 PolarHBondContact O-N 3.05Å |
| 489 | Q | 96.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 40.9 Ų | 40.9 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.1 | 178.7 | -58.2 | 173.8 | -25.9 | 0 | 0 | 112.7 | L485 N486 D487 M491 H520 | L485-Q489 PolarHBondContact O-N 2.94Å; N486-Q489 PolarHBondContact O-N 3.24Å; D487-Q489 PolarHBondContact O-N 2.95Å; Q489-M491 PolarHBondContact O-N 3.49Å; Q489-H520 HydrophobicContact CG-CB 4.48Å |
| 490 | C | 97.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 12% | 0.122 | 19% | 0.189 | C | C | . | . | trans | -77.9 | 67.1 | -173.4 | -159.4 | 0 | 0 | 0 | 0 | 112.9 | L485 M488 W492 F493 E494 | L485-C490 HydrophobicContact CB-CB 4.03Å; L485-C490 HydrophobicContact CD2-CB 4.07Å; L485-C490 WeakPolarHBondContact O-CB 3.31Å; L485-C490 PolarHBondContact O-N 3.42Å; M488-C490 VanDerWaalsContact C-N 3.27Å; M488-C490 PolarHBondContact O-N 3.05Å; C490-W492 VanDerWaalsContact C-N 3.25Å; C490-W492 PolarHBondContact O-N 3.23Å; C490-W492 VanDerWaalsContact O-N 3.12Å; C490-W492 VanDerWaalsContact SG-CD1 3.57Å; C490-W492 PolarHBondContact SG-NE1 3.22Å; C490-F493 PolarHBondContact O-N 2.96Å; C490-E494 PolarHBondContact O-N 3.22Å | ||
| 491 | M | 98.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 10% | 0.103 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.3 | -28.7 | -171.1 | -59.4 | 177.6 | -159.2 | 0 | 0 | 114 | Q489 F493 T495 H520 F521 I524 F559 | Q489-M491 PolarHBondContact O-N 3.49Å; M491-F493 VanDerWaalsContact C-N 3.32Å; M491-F493 PolarHBondContact O-N 2.74Å; M491-T495 WeakPolarHBondContact O-CB 3.39Å; M491-T495 PolarHBondContact O-N 2.93Å; M491-T495 PolarHBondContact O-OG1 3.06Å; M491-H520 HydrophobicContact CE-CB 3.77Å; M491-F521 HydrophobicContact SD-CE2 3.97Å; M491-F521 HydrophobicContact SD-CZ 4.28Å; M491-I524 HydrophobicContact CE-CD1 3.83Å; M491-F559 HydrophobicContact CB-CB 4.17Å; M491-F559 HydrophobicContact CB-CD1 3.98Å; M491-F559 HydrophobicContact CB-CD2 3.75Å; M491-F559 HydrophobicContact CB-CE1 4.32Å; M491-F559 HydrophobicContact CB-CE2 4.13Å; M491-F559 HydrophobicContact CB-CG 3.72Å; M491-F559 HydrophobicContact CB-CZ 4.41Å; M491-F559 HydrophobicContact CG-CD2 4.35Å; M491-F559 HydrophobicContact SD-CB 3.83Å; M491-F559 HydrophobicContact SD-CD2 3.67Å; M491-F559 HydrophobicContact SD-CG 4Å |
| 492 | W | 97.6 | Very high | 95.4 | Very high | 65 Ų | 65 | 33.7 Ų | 33.7 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 177.9 | 80.7 | -100.8 | 0 | 0 | 0 | 111.3 | S452 A455 K456 C490 E496 F559 | S452-W492 WeakPolarHBondContact O-CH2 3.44Å; A455-W492 HydrophobicContact CB-CH2 4.29Å; K456-W492 HydrophobicContact CB-CE3 4.5Å; K456-W492 HydrophobicContact CB-CZ3 3.82Å; C490-W492 VanDerWaalsContact C-N 3.25Å; C490-W492 PolarHBondContact O-N 3.23Å; C490-W492 VanDerWaalsContact O-N 3.12Å; C490-W492 VanDerWaalsContact SG-CD1 3.57Å; C490-W492 PolarHBondContact SG-NE1 3.22Å; W492-E496 HydrophobicContact CE3-CG 4.48Å; W492-E496 WeakPolarHBondContact O-CG 3.24Å; W492-E496 PolarHBondContact O-N 3.26Å; W492-F559 HydrophobicContact CB-CE1 3.97Å; W492-F559 HydrophobicContact CB-CZ 4.01Å |
| 493 | F | 97.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.6 | -48.4 | -179.7 | 174 | -95.3 | 0 | 0 | 0 | 109.6 | L459 I468 L485 C490 M491 T495 E496 C497 | L459-F493 HydrophobicContact CD1-CD2 3.8Å; L459-F493 HydrophobicContact CD1-CE2 3.9Å; I468-F493 HydrophobicContact CG1-CZ 3.97Å; L485-F493 HydrophobicContact CB-CD1 4.38Å; L485-F493 HydrophobicContact CD1-CD1 3.6Å; L485-F493 HydrophobicContact CD1-CD2 4Å; L485-F493 HydrophobicContact CD1-CE1 3.68Å; L485-F493 HydrophobicContact CD1-CE2 4.06Å; L485-F493 HydrophobicContact CD1-CG 3.77Å; L485-F493 HydrophobicContact CD1-CZ 3.91Å; C490-F493 PolarHBondContact O-N 2.96Å; M491-F493 VanDerWaalsContact C-N 3.32Å; M491-F493 PolarHBondContact O-N 2.74Å; F493-T495 VanDerWaalsContact C-N 3.29Å; F493-T495 PolarHBondContact O-N 3.36Å; F493-E496 PolarHBondContact O-N 3.07Å; F493-C497 WeakPolarHBondContact CE1-SG 3.09Å; F493-C497 WeakPolarHBondContact CZ-SG 3.36Å; F493-C497 WeakPolarHBondContact O-CB 3.3Å; F493-C497 PolarHBondContact O-N 2.86Å; F493-C497 PolarHBondContact O-SG 2.94Å; F493-C497 VanDerWaalsContact O-SG 3.39Å |
| 494 | E | 97.5 | Very high | 95 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -40 | 177.5 | -64.9 | 170.5 | 155.1 | 0 | 0 | 111.9 | N486 C490 C497 A498 I517 H520 | N486-E494 WeakPolarHBondContact CA-OE1 3.44Å; N486-E494 PolarHBondContact ND2-OE1 3.08Å; C490-E494 PolarHBondContact O-N 3.22Å; E494-C497 PolarHBondContact O-N 3.49Å; E494-A498 WeakPolarHBondContact O-CB 3.33Å; E494-A498 PolarHBondContact O-N 3.09Å; E494-I517 HydrophobicContact CB-CD1 3.89Å; E494-I517 HydrophobicContact CB-CG1 3.83Å; E494-I517 WeakPolarHBondContact OE2-CG1 3.28Å; E494-H520 VanDerWaalsContact CD-NE2 3.33Å; E494-H520 IonicContact OE1-CD2 3.03Å; E494-H520 IonicContact OE1-CE1 3.9Å; E494-H520 IonicContact OE1-NE2 2.84Å; E494-H520 PolarHBondContact OE1-NE2 3.49Å; E494-H520 IonicContact OE2-CD2 3.4Å; E494-H520 PolarHBondContact OE2-CD2 3.5Å; E494-H520 IonicContact OE2-NE2 3.92Å; E494-H520 PolarHBondContact OE2-NE2 3.46Å |
| 495 | T | 97.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 177.8 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | M491 F493 R499 K562 | M491-T495 WeakPolarHBondContact O-CB 3.39Å; M491-T495 PolarHBondContact O-N 2.93Å; M491-T495 PolarHBondContact O-OG1 3.06Å; F493-T495 VanDerWaalsContact C-N 3.29Å; F493-T495 PolarHBondContact O-N 3.36Å; T495-R499 VanDerWaalsContact O-CG 3.3Å; T495-R499 WeakPolarHBondContact O-CG 3.5Å; T495-R499 PolarHBondContact O-N 3.4Å; T495-K562 HydrophobicContact CG2-CB 3.6Å; T495-K562 HydrophobicContact CG2-CD 4.13Å; T495-K562 HydrophobicContact CG2-CG 4.41Å |
| 496 | E | 97.1 | Very high | 94.6 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.07 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.9 | -36 | 178 | -64.1 | -68.4 | 173.8 | 0 | 0 | 111.2 | K456 L459 Q460 W492 F493 R499 A500 | K456-E496 WeakPolarHBondContact CE-OE1 3.34Å; K456-E496 HydrophobicContact CG-CG 4.29Å; K456-E496 IonicContact NZ-OE1 3.53Å; K456-E496 PolarHBondContact NZ-OE1 3.38Å; L459-E496 HydrophobicContact CB-CB 4.13Å; L459-E496 HydrophobicContact CD1-CB 3.68Å; Q460-E496 PolarHBondContact NE2-OE1 2.95Å; Q460-E496 PolarHBondContact NE2-OE2 3.32Å; W492-E496 HydrophobicContact CE3-CG 4.48Å; W492-E496 WeakPolarHBondContact O-CG 3.24Å; W492-E496 PolarHBondContact O-N 3.26Å; F493-E496 PolarHBondContact O-N 3.07Å; E496-R499 PolarHBondContact O-N 3.25Å; E496-R499 IonicContact OE1-NH1 3.82Å; E496-R499 PolarHBondContact OE1-NH1 3.38Å; E496-R499 IonicContact OE2-NH1 2.86Å; E496-A500 WeakPolarHBondContact O-CB 3.47Å; E496-A500 PolarHBondContact O-N 3.39Å |
| 497 | C | 96.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 170 | -76.5 | 0 | 0 | 0 | 0 | 111.8 | L459 F493 E494 R499 A500 F501 K513 | L459-C497 VanDerWaalsContact CD2-SG 3.52Å; F493-C497 WeakPolarHBondContact CE1-SG 3.09Å; F493-C497 WeakPolarHBondContact CZ-SG 3.36Å; F493-C497 WeakPolarHBondContact O-CB 3.3Å; F493-C497 PolarHBondContact O-N 2.86Å; F493-C497 PolarHBondContact O-SG 2.94Å; F493-C497 VanDerWaalsContact O-SG 3.39Å; E494-C497 PolarHBondContact O-N 3.49Å; C497-R499 PolarHBondContact O-N 3.38Å; C497-A500 PolarHBondContact O-N 2.93Å; C497-A500 VanDerWaalsContact O-N 3.08Å; C497-F501 HydrophobicContact CB-CD2 4.32Å; C497-F501 HydrophobicContact CB-CE2 4.21Å; C497-F501 WeakPolarHBondContact O-CB 3.2Å; C497-F501 WeakPolarHBondContact O-CD2 3.07Å; C497-F501 PolarHBondContact O-N 3.07Å; C497-K513 HydrophobicContact CB-CG 4.15Å |
| 498 | A | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.9 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E494 R502 A510 K513 | E494-A498 WeakPolarHBondContact O-CB 3.33Å; E494-A498 PolarHBondContact O-N 3.09Å; A498-R502 VanDerWaalsContact O-CB 3.25Å; A498-R502 WeakPolarHBondContact O-CB 3.45Å; A498-R502 PolarHBondContact O-N 2.7Å; A498-A510 WeakPolarHBondContact O-CB 3.32Å; A498-K513 HydrophobicContact CB-CB 3.77Å |
| 499 | R | 95.4 | Very high | 94.7 | Very high | 76 Ų | 76 | 28.3 Ų | 28.3 | 29% | 0.287 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -67.2 | -41.8 | 176.1 | -72.3 | 170.8 | -179.8 | 177.8 | -2.3 | 112.6 | T495 E496 C497 K503 | T495-R499 VanDerWaalsContact O-CG 3.3Å; T495-R499 WeakPolarHBondContact O-CG 3.5Å; T495-R499 PolarHBondContact O-N 3.4Å; E496-R499 PolarHBondContact O-N 3.25Å; E496-R499 IonicContact OE1-NH1 3.82Å; E496-R499 PolarHBondContact OE1-NH1 3.38Å; E496-R499 IonicContact OE2-NH1 2.86Å; C497-R499 PolarHBondContact O-N 3.38Å; R499-K503 WeakPolarHBondContact O-CB 3.49Å; R499-K503 VanDerWaalsContact O-CG 3.22Å; R499-K503 WeakPolarHBondContact O-CG 3.42Å; R499-K503 PolarHBondContact O-N 2.74Å |
| 500 | A | 94.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.033 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -49.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L459 I464 E496 C497 R502 K503 M504 | L459-A500 WeakPolarHBondContact O-CB 3.2Å; I464-A500 HydrophobicContact CD1-CB 3.78Å; I464-A500 HydrophobicContact CG1-CB 3.92Å; E496-A500 WeakPolarHBondContact O-CB 3.47Å; E496-A500 PolarHBondContact O-N 3.39Å; C497-A500 PolarHBondContact O-N 2.93Å; C497-A500 VanDerWaalsContact O-N 3.08Å; A500-R502 PolarHBondContact O-N 3.3Å; A500-K503 WeakPolarHBondContact O-CB 3.32Å; A500-K503 PolarHBondContact O-N 2.71Å; A500-K503 VanDerWaalsContact O-N 3.11Å; A500-M504 WeakPolarHBondContact O-CG 3.08Å; A500-M504 PolarHBondContact O-N 2.74Å |
| 501 | F | 95.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 23.9 Ų | 23.9 | 11% | 0.11 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 176.1 | -75 | -52.6 | 0 | 0 | 0 | 112.1 | I464 C497 K503 M504 G505 Q506 E509 A510 K513 | I464-F501 HydrophobicContact CD1-CD1 3.47Å; I464-F501 VanDerWaalsContact CD1-CD1 3.47Å; I464-F501 HydrophobicContact CD1-CD2 4.5Å; I464-F501 HydrophobicContact CD1-CE1 3.43Å; I464-F501 VanDerWaalsContact CD1-CE1 3.43Å; I464-F501 HydrophobicContact CD1-CE2 4.46Å; I464-F501 HydrophobicContact CD1-CG 4.03Å; I464-F501 HydrophobicContact CD1-CZ 3.96Å; I464-F501 HydrophobicContact CG2-CE1 4.28Å; I464-F501 HydrophobicContact CG2-CZ 3.93Å; C497-F501 HydrophobicContact CB-CD2 4.32Å; C497-F501 HydrophobicContact CB-CE2 4.21Å; C497-F501 WeakPolarHBondContact O-CB 3.2Å; C497-F501 WeakPolarHBondContact O-CD2 3.07Å; C497-F501 PolarHBondContact O-N 3.07Å; F501-K503 PolarHBondContact O-N 2.66Å; F501-M504 PolarHBondContact O-N 2.68Å; F501-M504 VanDerWaalsContact O-N 3.1Å; F501-G505 PolarHBondContact O-N 3.49Å; F501-Q506 HydrophobicContact CB-CB 4.19Å; F501-Q506 HydrophobicContact CD1-CB 4.1Å; F501-Q506 PolarHBondContact O-N 3.38Å; F501-E509 HydrophobicContact CB-CB 4.23Å; F501-E509 HydrophobicContact CD1-CB 3.86Å; F501-E509 HydrophobicContact CD2-CB 3.84Å; F501-E509 HydrophobicContact CE1-CB 4.1Å; F501-E509 HydrophobicContact CE1-CG 4.43Å; F501-E509 HydrophobicContact CE2-CB 4.08Å; F501-E509 HydrophobicContact CG-CB 3.73Å; F501-E509 HydrophobicContact CZ-CB 4.21Å; F501-A510 HydrophobicContact CB-CB 3.78Å; F501-K513 HydrophobicContact CD2-CG 4.36Å; F501-K513 HydrophobicContact CE2-CG 4.42Å |
| 502 | R | 93.1 | Very high | 94.6 | Very high | 30 Ų | 30 | 25.2 Ų | 25.2 | 11% | 0.113 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -39.1 | 176.5 | -174.9 | -177.7 | 67.8 | 113.6 | 14.2 | 112 | A498 A500 M504 G505 F507 A510 K569 I570 G861 | A498-R502 VanDerWaalsContact O-CB 3.25Å; A498-R502 WeakPolarHBondContact O-CB 3.45Å; A498-R502 PolarHBondContact O-N 2.7Å; A500-R502 PolarHBondContact O-N 3.3Å; R502-M504 VanDerWaalsContact C-N 3.3Å; R502-M504 PolarHBondContact O-N 2.74Å; R502-G505 PolarHBondContact O-N 3.34Å; R502-F507 HydrophobicContact CG-CD1 4.4Å; R502-F507 HydrophobicContact CG-CE1 4.28Å; R502-A510 HydrophobicContact CB-CB 3.95Å; R502-K569 VanDerWaalsContact NH1-CD 3.27Å; R502-I570 HydrophobicContact CB-CD1 4.18Å; R502-I570 HydrophobicContact CB-CG1 4.43Å; R502-I570 HydrophobicContact CG-CD1 3.99Å; R502-I570 HydrophobicContact CG-CG1 3.7Å; R502-G861 VanDerWaalsContact NH1-C 3.31Å; R502-G861 PolarHBondContact NH1-O 3.23Å; R502-G861 PolarHBondContact NH2-O 3.24Å |
| 503 | K | 86.4 | Confident | 94.5 | Very high | 40 Ų | 40 | 22.5 Ų | 22.5 | 17% | 0.174 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.3 | -35.9 | 177.9 | -80.6 | 175.1 | 174.6 | -165 | 0 | 113 | R499 A500 F501 G505 L858 D859 E860 | R499-K503 WeakPolarHBondContact O-CB 3.49Å; R499-K503 VanDerWaalsContact O-CG 3.22Å; R499-K503 WeakPolarHBondContact O-CG 3.42Å; R499-K503 PolarHBondContact O-N 2.74Å; A500-K503 WeakPolarHBondContact O-CB 3.32Å; A500-K503 PolarHBondContact O-N 2.71Å; A500-K503 VanDerWaalsContact O-N 3.11Å; F501-K503 PolarHBondContact O-N 2.66Å; K503-G505 PolarHBondContact O-N 3.32Å; K503-L858 WeakPolarHBondContact CB-O 3.3Å; K503-D859 IonicContact NZ-OD1 2.69Å; K503-D859 PolarHBondContact NZ-OD1 3.36Å; K503-E860 VanDerWaalsContact CA-O 3.27Å; K503-E860 WeakPolarHBondContact CA-O 3.07Å; K503-E860 PolarHBondContact O-N 3.11Å |
| 504 | M | 87.5 | Confident | 94.5 | Very high | 52 Ų | 52 | 22.4 Ų | 22.4 | 26% | 0.256 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1.3 | 175.4 | -62.5 | 177.7 | -173.9 | 0 | 0 | 114 | G462 I464 A500 F501 R502 Q506 L858 | G462-M504 VanDerWaalsContact C-CE 3.41Å; G462-M504 WeakPolarHBondContact O-CE 3.2Å; I464-M504 HydrophobicContact CD1-CE 3.58Å; I464-M504 HydrophobicContact CD1-SD 3.76Å; I464-M504 HydrophobicContact CG1-CE 3.8Å; A500-M504 WeakPolarHBondContact O-CG 3.08Å; A500-M504 PolarHBondContact O-N 2.74Å; F501-M504 PolarHBondContact O-N 2.68Å; F501-M504 VanDerWaalsContact O-N 3.1Å; R502-M504 VanDerWaalsContact C-N 3.3Å; R502-M504 PolarHBondContact O-N 2.74Å; M504-Q506 VanDerWaalsContact C-N 3.26Å; M504-Q506 HydrophobicContact CB-CG 4.35Å; M504-Q506 PolarHBondContact O-N 3.2Å; M504-L858 HydrophobicContact CE-CD2 4.42Å; M504-L858 HydrophobicContact CG-CD2 4.13Å |
| 505 | G | 87.8 | Confident | 94.5 | Very high | 26 Ų | 26 | 23.4 Ų | 23.4 | 27% | 0.268 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 0.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F501 R502 K503 F507 | F501-G505 PolarHBondContact O-N 3.49Å; R502-G505 PolarHBondContact O-N 3.34Å; K503-G505 PolarHBondContact O-N 3.32Å; G505-F507 VanDerWaalsContact C-N 3.3Å; G505-F507 PolarHBondContact O-N 2.76Å |
| 506 | Q | 92.1 | Very high | 94.5 | Very high | 59 Ų | 59 | 23.8 Ų | 23.8 | 28% | 0.276 | 11% | 0.114 | S | C | . | . | trans | -77.7 | 76.3 | 179.2 | -65.8 | -177.9 | 13.1 | 0 | 0 | 111.2 | F501 M504 A510 D584 | F501-Q506 HydrophobicContact CB-CB 4.19Å; F501-Q506 HydrophobicContact CD1-CB 4.1Å; F501-Q506 PolarHBondContact O-N 3.38Å; M504-Q506 VanDerWaalsContact C-N 3.26Å; M504-Q506 HydrophobicContact CB-CG 4.35Å; M504-Q506 PolarHBondContact O-N 3.2Å; Q506-A510 WeakPolarHBondContact O-CB 3.25Å; Q506-A510 PolarHBondContact O-N 3.44Å; Q506-A510 VanDerWaalsContact O-N 3.15Å; Q506-D584 VanDerWaalsContact CA-OD1 3.32Å; Q506-D584 WeakPolarHBondContact CA-OD1 3.44Å | ||
| 507 | F | 93.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.035 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.2 | -37.8 | -170.4 | -64.6 | -35.9 | 0 | 0 | 0 | 112.7 | R502 G505 A510 L511 I570 R573 L574 E580 D584 | R502-F507 HydrophobicContact CG-CD1 4.4Å; R502-F507 HydrophobicContact CG-CE1 4.28Å; G505-F507 VanDerWaalsContact C-N 3.3Å; G505-F507 PolarHBondContact O-N 2.76Å; F507-A510 PolarHBondContact O-N 3.19Å; F507-L511 WeakPolarHBondContact O-CB 3.43Å; F507-L511 WeakPolarHBondContact O-CG 3.38Å; F507-L511 PolarHBondContact O-N 2.98Å; F507-I570 HydrophobicContact CB-CG2 3.66Å; F507-I570 HydrophobicContact CD1-CG1 4.12Å; F507-I570 HydrophobicContact CD1-CG2 3.97Å; F507-I570 HydrophobicContact CG-CG2 3.88Å; F507-R573 HydrophobicContact CE2-CG 4.45Å; F507-R573 HydrophobicContact CZ-CG 4.31Å; F507-L574 HydrophobicContact CB-CD2 4.49Å; F507-L574 HydrophobicContact CD2-CD2 3.97Å; F507-E580 HydrophobicContact CE2-CB 4.3Å; F507-D584 PolarHBondContact N-OD2 3.28Å |
| 508 | G | 94.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A510 L511 K512 P644 | G508-A510 VanDerWaalsContact C-N 3.34Å; G508-A510 PolarHBondContact O-N 3.43Å; G508-L511 PolarHBondContact O-N 2.66Å; G508-K512 PolarHBondContact O-N 2.87Å; G508-P644 WeakPolarHBondContact CA-O 3.36Å |
| 509 | E | 94.8 | Very high | 94.4 | Very high | 67 Ų | 67 | 25.6 Ų | 25.6 | 31% | 0.313 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -67 | -37.1 | 179.4 | -69.3 | -66.5 | 169.5 | 0 | 0 | 111.7 | F501 K512 K513 P644 | F501-E509 HydrophobicContact CB-CB 4.23Å; F501-E509 HydrophobicContact CD1-CB 3.86Å; F501-E509 HydrophobicContact CD2-CB 3.84Å; F501-E509 HydrophobicContact CE1-CB 4.1Å; F501-E509 HydrophobicContact CE1-CG 4.43Å; F501-E509 HydrophobicContact CE2-CB 4.08Å; F501-E509 HydrophobicContact CG-CB 3.73Å; F501-E509 HydrophobicContact CZ-CB 4.21Å; E509-K512 PolarHBondContact O-N 2.72Å; E509-K513 PolarHBondContact O-N 2.74Å; E509-K513 VanDerWaalsContact O-N 3.13Å; E509-P644 HydrophobicContact CG-CB 4.41Å; E509-P644 WeakPolarHBondContact OE1-CG 3.48Å |
| 510 | A | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A498 F501 R502 Q506 F507 G508 K513 C514 I570 | A498-A510 WeakPolarHBondContact O-CB 3.32Å; F501-A510 HydrophobicContact CB-CB 3.78Å; R502-A510 HydrophobicContact CB-CB 3.95Å; Q506-A510 WeakPolarHBondContact O-CB 3.25Å; Q506-A510 PolarHBondContact O-N 3.44Å; Q506-A510 VanDerWaalsContact O-N 3.15Å; F507-A510 PolarHBondContact O-N 3.19Å; G508-A510 VanDerWaalsContact C-N 3.34Å; G508-A510 PolarHBondContact O-N 3.43Å; A510-K513 PolarHBondContact O-N 2.82Å; A510-C514 PolarHBondContact O-N 3.42Å; A510-C514 VanDerWaalsContact O-N 3.11Å; A510-C514 PolarHBondContact O-SG 3.05Å; A510-I570 HydrophobicContact CB-CD1 3.5Å; A510-I570 VanDerWaalsContact CB-CD1 3.5Å |
| 511 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 176 | -74.9 | 174.6 | 0 | 0 | 0 | 111.3 | F507 G508 K513 C514 H515 A567 I570 Y571 L574 L647 | F507-L511 WeakPolarHBondContact O-CB 3.43Å; F507-L511 WeakPolarHBondContact O-CG 3.38Å; F507-L511 PolarHBondContact O-N 2.98Å; G508-L511 PolarHBondContact O-N 2.66Å; L511-K513 VanDerWaalsContact C-N 3.27Å; L511-K513 PolarHBondContact O-N 2.93Å; L511-C514 WeakPolarHBondContact O-CA 3.49Å; L511-C514 WeakPolarHBondContact O-CB 3.5Å; L511-C514 PolarHBondContact O-N 3.43Å; L511-H515 PolarHBondContact O-CD2 3.49Å; L511-H515 VanDerWaalsContact O-CD2 3.24Å; L511-H515 PolarHBondContact O-N 3.06Å; L511-A567 HydrophobicContact CD2-CB 4.12Å; L511-I570 HydrophobicContact CD1-CG2 3.85Å; L511-I570 HydrophobicContact CD2-CB 4.03Å; L511-I570 HydrophobicContact CD2-CD1 4.11Å; L511-I570 HydrophobicContact CD2-CG2 4.01Å; L511-I570 HydrophobicContact CG-CB 4.32Å; L511-I570 HydrophobicContact CG-CD1 4.17Å; L511-I570 HydrophobicContact CG-CG2 3.79Å; L511-Y571 HydrophobicContact CD1-CD1 4.3Å; L511-Y571 HydrophobicContact CD1-CE1 3.67Å; L511-Y571 HydrophobicContact CD2-CD1 4.49Å; L511-Y571 HydrophobicContact CD2-CD2 4.09Å; L511-Y571 HydrophobicContact CD2-CE1 4.02Å; L511-Y571 HydrophobicContact CD2-CE2 3.57Å; L511-L574 HydrophobicContact CD1-CD1 4.02Å; L511-L647 HydrophobicContact CB-CB 4.09Å; L511-L647 HydrophobicContact CB-CD1 4.09Å; L511-L647 HydrophobicContact CD1-CB 4.14Å |
| 512 | K | 96.5 | Very high | 94.7 | Very high | 50 Ų | 50 | 23.1 Ų | 23.1 | 22% | 0.217 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -51.1 | -48.3 | 174.1 | 168.5 | 172.8 | 177.6 | -176.7 | 0 | 111.4 | G508 E509 C514 H515 E516 F642 P644 L647 | G508-K512 PolarHBondContact O-N 2.87Å; E509-K512 PolarHBondContact O-N 2.72Å; K512-C514 VanDerWaalsContact C-N 3.35Å; K512-C514 PolarHBondContact O-N 3.03Å; K512-H515 PolarHBondContact O-N 3.35Å; K512-E516 WeakPolarHBondContact CE-OE1 3.44Å; K512-E516 WeakPolarHBondContact CG-OE1 3.05Å; K512-E516 WeakPolarHBondContact O-CG 3.48Å; K512-E516 PolarHBondContact O-N 3.4Å; K512-F642 HydrophobicContact CB-CB 4.45Å; K512-F642 HydrophobicContact CG-CB 4.14Å; K512-P644 HydrophobicContact CB-CG 4.34Å; K512-P644 HydrophobicContact CD-CG 3.75Å; K512-L647 HydrophobicContact CB-CD1 4.31Å |
| 513 | K | 96.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.035 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.3 | -35.1 | 176.5 | -66.1 | -46.1 | -176.6 | -175.6 | 0 | 113.6 | V482 C497 A498 F501 E509 A510 L511 E516 I517 | V482-K513 VanDerWaalsContact CG1-NZ 3.26Å; C497-K513 HydrophobicContact CB-CG 4.15Å; A498-K513 HydrophobicContact CB-CB 3.77Å; F501-K513 HydrophobicContact CD2-CG 4.36Å; F501-K513 HydrophobicContact CE2-CG 4.42Å; E509-K513 PolarHBondContact O-N 2.74Å; E509-K513 VanDerWaalsContact O-N 3.13Å; A510-K513 PolarHBondContact O-N 2.82Å; L511-K513 VanDerWaalsContact C-N 3.27Å; L511-K513 PolarHBondContact O-N 2.93Å; K513-E516 WeakPolarHBondContact CD-OE2 3.36Å; K513-E516 WeakPolarHBondContact CE-OE2 3.24Å; K513-E516 IonicContact NZ-OE1 3.52Å; K513-E516 PolarHBondContact NZ-OE1 3.39Å; K513-E516 IonicContact NZ-OE2 3.01Å; K513-E516 PolarHBondContact NZ-OE2 3.35Å; K513-I517 VanDerWaalsContact O-CG1 3.32Å; K513-I517 WeakPolarHBondContact O-CG1 3.47Å; K513-I517 PolarHBondContact O-N 3.18Å |
| 514 | C | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.5 | -40.5 | 175.7 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | A510 L511 K512 I517 D518 A567 F660 | A510-C514 PolarHBondContact O-N 3.42Å; A510-C514 VanDerWaalsContact O-N 3.11Å; A510-C514 PolarHBondContact O-SG 3.05Å; L511-C514 WeakPolarHBondContact O-CA 3.49Å; L511-C514 WeakPolarHBondContact O-CB 3.5Å; L511-C514 PolarHBondContact O-N 3.43Å; K512-C514 VanDerWaalsContact C-N 3.35Å; K512-C514 PolarHBondContact O-N 3.03Å; C514-I517 PolarHBondContact O-N 2.83Å; C514-D518 PolarHBondContact O-N 3.32Å; C514-D518 VanDerWaalsContact O-N 3.12Å; C514-A567 HydrophobicContact CB-CB 3.87Å; C514-F660 HydrophobicContact CB-CE1 4.24Å; C514-F660 HydrophobicContact CB-CZ 4.16Å |
| 515 | H | 97.3 | Very high | 95.6 | Very high | 21 Ų | 21 | 22.5 Ų | 22.5 | 10% | 0.097 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.1 | -37.6 | 176.4 | -80.8 | -78.9 | 0 | 0 | 0 | 112.6 | L511 K512 I517 D518 R519 Y571 F642 F660 | L511-H515 PolarHBondContact O-CD2 3.49Å; L511-H515 VanDerWaalsContact O-CD2 3.24Å; L511-H515 PolarHBondContact O-N 3.06Å; K512-H515 PolarHBondContact O-N 3.35Å; H515-I517 VanDerWaalsContact C-N 3.3Å; H515-I517 PolarHBondContact O-N 2.89Å; H515-D518 PolarHBondContact O-N 3.27Å; H515-R519 WeakPolarHBondContact O-CB 3.41Å; H515-R519 PolarHBondContact O-N 3.45Å; H515-Y571 PolarHBondContact NE2-OH 3.08Å; H515-F642 HydrophobicContact CB-CD1 3.86Å; H515-F642 HydrophobicContact CB-CD2 3.97Å; H515-F642 HydrophobicContact CB-CE1 3.79Å; H515-F642 HydrophobicContact CB-CE2 3.89Å; H515-F642 HydrophobicContact CB-CG 3.96Å; H515-F642 HydrophobicContact CB-CZ 3.8Å; H515-F660 AromaticContact CE1-CE2 3.68Å; H515-F660 AromaticContact CE1-CZ 3.86Å; H515-F660 AromaticContact ND1-CZ 3.91Å; H515-F660 AromaticContact NE2-CE2 3.75Å; H515-F660 AromaticContact NE2-CZ 3.98Å |
| 516 | E | 96.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 6% | 0.061 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | 170.6 | -76.2 | 170 | -172.9 | 0 | 0 | 111.6 | K512 K513 R519 H520 F642 | K512-E516 WeakPolarHBondContact CE-OE1 3.44Å; K512-E516 WeakPolarHBondContact CG-OE1 3.05Å; K512-E516 WeakPolarHBondContact O-CG 3.48Å; K512-E516 PolarHBondContact O-N 3.4Å; K513-E516 WeakPolarHBondContact CD-OE2 3.36Å; K513-E516 WeakPolarHBondContact CE-OE2 3.24Å; K513-E516 IonicContact NZ-OE1 3.52Å; K513-E516 PolarHBondContact NZ-OE1 3.39Å; K513-E516 IonicContact NZ-OE2 3.01Å; K513-E516 PolarHBondContact NZ-OE2 3.35Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.33Å; E516-H520 PolarHBondContact O-CD2 3.39Å; E516-H520 VanDerWaalsContact O-CD2 3.27Å; E516-H520 PolarHBondContact O-N 3.1Å; E516-H520 VanDerWaalsContact O-N 3.07Å; E516-F642 HydrophobicContact CG-CD2 4.02Å; E516-F642 HydrophobicContact CG-CE2 4.31Å |
| 517 | I | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 177 | -66 | 163.5 | 0 | 0 | 0 | 111.3 | E494 K513 C514 H515 R519 H520 F521 A563 | E494-I517 HydrophobicContact CB-CD1 3.89Å; E494-I517 HydrophobicContact CB-CG1 3.83Å; E494-I517 WeakPolarHBondContact OE2-CG1 3.28Å; K513-I517 VanDerWaalsContact O-CG1 3.32Å; K513-I517 WeakPolarHBondContact O-CG1 3.47Å; K513-I517 PolarHBondContact O-N 3.18Å; C514-I517 PolarHBondContact O-N 2.83Å; H515-I517 VanDerWaalsContact C-N 3.3Å; H515-I517 PolarHBondContact O-N 2.89Å; I517-R519 VanDerWaalsContact C-N 3.26Å; I517-R519 PolarHBondContact O-N 3.45Å; I517-H520 WeakPolarHBondContact O-CB 3.27Å; I517-H520 PolarHBondContact O-N 3.05Å; I517-H520 VanDerWaalsContact O-N 3.12Å; I517-F521 HydrophobicContact CG2-CD2 4.13Å; I517-F521 HydrophobicContact CG2-CE2 3.88Å; I517-F521 VanDerWaalsContact O-CD2 3.31Å; I517-F521 WeakPolarHBondContact O-CD2 3.48Å; I517-F521 PolarHBondContact O-N 3.19Å; I517-A563 HydrophobicContact CB-CB 3.97Å; I517-A563 HydrophobicContact CD1-CB 3.78Å; I517-A563 HydrophobicContact CG1-CB 4.5Å; I517-A563 HydrophobicContact CG2-CB 3.78Å |
| 518 | D | 97.1 | Very high | 96.2 | Very high | 31 Ų | 31 | 24.5 Ų | 24.5 | 17% | 0.166 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -32.7 | 177 | -180 | 53.8 | 0 | 0 | 0 | 112.4 | C514 H515 H520 F521 T522 R555 F560 F660 | C514-D518 PolarHBondContact O-N 3.32Å; C514-D518 VanDerWaalsContact O-N 3.12Å; H515-D518 PolarHBondContact O-N 3.27Å; D518-H520 VanDerWaalsContact C-N 3.34Å; D518-H520 PolarHBondContact O-N 3Å; D518-F521 WeakPolarHBondContact O-CB 3.37Å; D518-F521 PolarHBondContact O-N 3.02Å; D518-T522 PolarHBondContact O-N 3.44Å; D518-T522 PolarHBondContact O-OG1 2.78Å; D518-T522 VanDerWaalsContact O-OG1 3.06Å; D518-R555 IonicContact OD1-CZ 2.93Å; D518-R555 IonicContact OD1-NE 3.83Å; D518-R555 PolarHBondContact OD1-NE 3.47Å; D518-R555 VanDerWaalsContact OD1-NE 3.11Å; D518-R555 IonicContact OD1-NH2 3.85Å; D518-R555 PolarHBondContact OD1-NH2 3.09Å; D518-F560 HydrophobicContact CB-CE2 4.4Å; D518-F560 WeakPolarHBondContact OD1-CE2 3.46Å; D518-F660 HydrophobicContact CB-CE1 4.05Å |
| 519 | R | 95.4 | Very high | 96.2 | Very high | 26 Ų | 26 | 25.7 Ų | 25.7 | 10% | 0.098 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 171.3 | -168.5 | -176.9 | 69.2 | -162.3 | -0.5 | 111.3 | N486 H515 E516 I517 F521 T522 D523 P640 F642 | N486-R519 PolarHBondContact OD1-NH2 3.21Å; H515-R519 WeakPolarHBondContact O-CB 3.41Å; H515-R519 PolarHBondContact O-N 3.45Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.33Å; I517-R519 VanDerWaalsContact C-N 3.26Å; I517-R519 PolarHBondContact O-N 3.45Å; R519-F521 VanDerWaalsContact C-N 3.32Å; R519-F521 PolarHBondContact O-N 3.42Å; R519-T522 CarbonylContact O-C 3.41Å; R519-T522 WeakPolarHBondContact O-CA 3.45Å; R519-T522 WeakPolarHBondContact O-CB 3.45Å; R519-T522 PolarHBondContact O-N 3.23Å; R519-T522 VanDerWaalsContact O-N 3.08Å; R519-D523 PolarHBondContact O-N 3.07Å; R519-P640 PolarHBondContact NH1-O 3.28Å; R519-F642 HydrophobicContact CB-CE2 4.39Å; R519-F642 HydrophobicContact CB-CZ 4.43Å |
| 520 | H | 97.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.3 | -57.9 | -40.7 | 0 | 0 | 0 | 112.3 | N486 Q489 M491 E494 E516 I517 D518 T522 D523 I524 | N486-H520 PolarHBondContact ND2-CE1 3.15Å; N486-H520 PolarHBondContact ND2-NE2 3.45Å; N486-H520 PolarHBondContact O-CE1 3.01Å; Q489-H520 HydrophobicContact CG-CB 4.48Å; M491-H520 HydrophobicContact CE-CB 3.77Å; E494-H520 VanDerWaalsContact CD-NE2 3.33Å; E494-H520 IonicContact OE1-CD2 3.03Å; E494-H520 IonicContact OE1-CE1 3.9Å; E494-H520 IonicContact OE1-NE2 2.84Å; E494-H520 PolarHBondContact OE1-NE2 3.49Å; E494-H520 IonicContact OE2-CD2 3.4Å; E494-H520 PolarHBondContact OE2-CD2 3.5Å; E494-H520 IonicContact OE2-NE2 3.92Å; E494-H520 PolarHBondContact OE2-NE2 3.46Å; E516-H520 PolarHBondContact O-CD2 3.39Å; E516-H520 VanDerWaalsContact O-CD2 3.27Å; E516-H520 PolarHBondContact O-N 3.1Å; E516-H520 VanDerWaalsContact O-N 3.07Å; I517-H520 WeakPolarHBondContact O-CB 3.27Å; I517-H520 PolarHBondContact O-N 3.05Å; I517-H520 VanDerWaalsContact O-N 3.12Å; D518-H520 VanDerWaalsContact C-N 3.34Å; D518-H520 PolarHBondContact O-N 3Å; H520-T522 VanDerWaalsContact C-N 3.3Å; H520-T522 PolarHBondContact O-N 3.46Å; H520-D523 PolarHBondContact O-N 3.09Å; H520-I524 WeakPolarHBondContact O-CD1 3.48Å; H520-I524 WeakPolarHBondContact O-CG1 3.22Å; H520-I524 PolarHBondContact O-N 2.93Å |
| 521 | F | 97.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 173.7 | -82.5 | -85.1 | 0 | 0 | 0 | 112 | M491 I517 D518 R519 I525 L554 R555 H557 F559 F560 | M491-F521 HydrophobicContact SD-CE2 3.97Å; M491-F521 HydrophobicContact SD-CZ 4.28Å; I517-F521 HydrophobicContact CG2-CD2 4.13Å; I517-F521 HydrophobicContact CG2-CE2 3.88Å; I517-F521 VanDerWaalsContact O-CD2 3.31Å; I517-F521 WeakPolarHBondContact O-CD2 3.48Å; I517-F521 PolarHBondContact O-N 3.19Å; D518-F521 WeakPolarHBondContact O-CB 3.37Å; D518-F521 PolarHBondContact O-N 3.02Å; R519-F521 VanDerWaalsContact C-N 3.32Å; R519-F521 PolarHBondContact O-N 3.42Å; F521-I525 WeakPolarHBondContact O-CD1 3.37Å; F521-I525 VanDerWaalsContact O-CG1 3.27Å; F521-I525 WeakPolarHBondContact O-CG1 3.27Å; F521-I525 PolarHBondContact O-N 3.12Å; F521-I525 VanDerWaalsContact O-N 3.13Å; F521-L554 HydrophobicContact CD1-CD2 3.8Å; F521-L554 HydrophobicContact CD1-CG 3.8Å; F521-L554 HydrophobicContact CE1-CD2 4.49Å; F521-L554 HydrophobicContact CE1-CG 4.09Å; F521-L554 WeakPolarHBondContact CE1-O 3.13Å; F521-R555 HydrophobicContact CB-CG 4.28Å; F521-R555 HydrophobicContact CD1-CG 3.98Å; F521-R555 HydrophobicContact CG-CG 4.23Å; F521-H557 HydrophobicContact CE1-CB 3.9Å; F521-H557 HydrophobicContact CZ-CB 3.97Å; F521-F559 HydrophobicContact CE2-CB 4.26Å; F521-F559 HydrophobicContact CZ-CB 4.23Å; F521-F560 HydrophobicContact CD1-CB 4.49Å; F521-F560 HydrophobicContact CD2-CB 4.11Å; F521-F560 AromaticContact CD2-CD2 3.96Å; F521-F560 HydrophobicContact CD2-CD2 3.96Å; F521-F560 HydrophobicContact CE1-CB 4.03Å; F521-F560 HydrophobicContact CE2-CB 3.62Å; F521-F560 HydrophobicContact CE2-CD2 4.3Å; F521-F560 HydrophobicContact CE2-CG 4.48Å; F521-F560 HydrophobicContact CG-CD2 4.24Å; F521-F560 HydrophobicContact CZ-CB 3.58Å |
| 522 | T | 95.1 | Very high | 96 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 28% | 0.276 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.2 | -48.7 | 175.3 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | D518 R519 H520 I524 I525 E526 R555 | D518-T522 PolarHBondContact O-N 3.44Å; D518-T522 PolarHBondContact O-OG1 2.78Å; D518-T522 VanDerWaalsContact O-OG1 3.06Å; R519-T522 CarbonylContact O-C 3.41Å; R519-T522 WeakPolarHBondContact O-CA 3.45Å; R519-T522 WeakPolarHBondContact O-CB 3.45Å; R519-T522 PolarHBondContact O-N 3.23Å; R519-T522 VanDerWaalsContact O-N 3.08Å; H520-T522 VanDerWaalsContact C-N 3.3Å; H520-T522 PolarHBondContact O-N 3.46Å; T522-I524 VanDerWaalsContact C-N 3.34Å; T522-I524 PolarHBondContact O-N 2.92Å; T522-I525 WeakPolarHBondContact O-CB 3.25Å; T522-I525 PolarHBondContact O-N 3.35Å; T522-I525 VanDerWaalsContact O-N 3.16Å; T522-E526 HydrophobicContact CG2-CG 4.4Å; T522-E526 WeakPolarHBondContact O-CG 3.19Å; T522-E526 PolarHBondContact O-N 3.09Å; T522-R555 PolarHBondContact OG1-NH2 3.37Å |
| 523 | D | 94.5 | Very high | 95.9 | Very high | 37 Ų | 37 | 33 Ų | 33 | 20% | 0.198 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 180 | -69.3 | -29.2 | 0 | 0 | 0 | 112.2 | K98 R519 H520 I525 E526 D527 | K98-D523 IonicContact NZ-OD1 3.68Å; K98-D523 PolarHBondContact NZ-OD1 3.43Å; R519-D523 PolarHBondContact O-N 3.07Å; H520-D523 PolarHBondContact O-N 3.09Å; D523-I525 PolarHBondContact O-N 3.1Å; D523-E526 CarbonylContact O-C 3.49Å; D523-E526 WeakPolarHBondContact O-CA 3.3Å; D523-E526 WeakPolarHBondContact O-CB 3.42Å; D523-E526 PolarHBondContact O-N 3.44Å; D523-E526 VanDerWaalsContact O-N 3.11Å; D523-D527 VanDerWaalsContact O-CG 3.24Å; D523-D527 PolarHBondContact O-N 2.82Å |
| 524 | I | 96.9 | Very high | 95.8 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.9 | -65.8 | 162.3 | 0 | 0 | 0 | 111.6 | M491 H520 T522 E526 D527 L554 | M491-I524 HydrophobicContact CE-CD1 3.83Å; H520-I524 WeakPolarHBondContact O-CD1 3.48Å; H520-I524 WeakPolarHBondContact O-CG1 3.22Å; H520-I524 PolarHBondContact O-N 2.93Å; T522-I524 VanDerWaalsContact C-N 3.34Å; T522-I524 PolarHBondContact O-N 2.92Å; I524-E526 PolarHBondContact O-N 2.91Å; I524-D527 WeakPolarHBondContact O-CB 3.31Å; I524-D527 PolarHBondContact O-N 3.11Å; I524-L554 HydrophobicContact CB-CD2 3.77Å; I524-L554 HydrophobicContact CG2-CD1 4.1Å; I524-L554 HydrophobicContact CG2-CD2 3.51Å; I524-L554 HydrophobicContact CG2-CG 4.47Å |
| 525 | I | 95.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 37.5 Ų | 37.5 | 17% | 0.174 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.1 | -35.6 | 174.8 | -70.9 | 165.5 | 0 | 0 | 0 | 110.6 | Q130 F521 T522 D523 Q528 E551 L554 | Q130-I525 PolarHBondContact NE2-O 3.36Å; F521-I525 WeakPolarHBondContact O-CD1 3.37Å; F521-I525 VanDerWaalsContact O-CG1 3.27Å; F521-I525 WeakPolarHBondContact O-CG1 3.27Å; F521-I525 PolarHBondContact O-N 3.12Å; F521-I525 VanDerWaalsContact O-N 3.13Å; T522-I525 WeakPolarHBondContact O-CB 3.25Å; T522-I525 PolarHBondContact O-N 3.35Å; T522-I525 VanDerWaalsContact O-N 3.16Å; D523-I525 PolarHBondContact O-N 3.1Å; I525-Q528 VanDerWaalsContact O-CG 3.23Å; I525-Q528 WeakPolarHBondContact O-CG 3.47Å; I525-Q528 PolarHBondContact O-NE2 3.22Å; I525-E551 WeakPolarHBondContact CA-OE2 3.42Å; I525-L554 HydrophobicContact CD1-CD2 4.26Å; I525-L554 HydrophobicContact CG1-CB 4.45Å; I525-L554 HydrophobicContact CG1-CD2 3.68Å |
| 526 | E | 93.9 | Very high | 95.3 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 16% | 0.159 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.1 | -32.3 | 178.1 | -65.9 | -63.9 | 149.9 | 0 | 0 | 112.5 | K98 Y100 T522 D523 I524 Q528 F529 | K98-E526 HydrophobicContact CD-CG 3.96Å; Y100-E526 WeakPolarHBondContact CE2-OE1 3.31Å; Y100-E526 WeakPolarHBondContact CE2-OE2 3.26Å; Y100-E526 PolarHBondContact OH-OE2 3.42Å; T522-E526 HydrophobicContact CG2-CG 4.4Å; T522-E526 WeakPolarHBondContact O-CG 3.19Å; T522-E526 PolarHBondContact O-N 3.09Å; D523-E526 CarbonylContact O-C 3.49Å; D523-E526 WeakPolarHBondContact O-CA 3.3Å; D523-E526 WeakPolarHBondContact O-CB 3.42Å; D523-E526 PolarHBondContact O-N 3.44Å; D523-E526 VanDerWaalsContact O-N 3.11Å; I524-E526 PolarHBondContact O-N 2.91Å; E526-Q528 PolarHBondContact O-N 3.34Å; E526-Q528 VanDerWaalsContact O-N 3.12Å; E526-F529 VanDerWaalsContact O-CB 3.29Å; E526-F529 WeakPolarHBondContact O-CB 3.27Å; E526-F529 PolarHBondContact O-N 3.01Å |
| 527 | D | 95.1 | Very high | 95 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.7 | -22.8 | 177.7 | -70.5 | -24.3 | 0 | 0 | 0 | 112.4 | D523 I524 F529 F531 | D523-D527 VanDerWaalsContact O-CG 3.24Å; D523-D527 PolarHBondContact O-N 2.82Å; I524-D527 WeakPolarHBondContact O-CB 3.31Å; I524-D527 PolarHBondContact O-N 3.11Å; D527-F529 PolarHBondContact O-N 3.36Å; D527-F531 VanDerWaalsContact O-CD2 3.23Å; D527-F531 WeakPolarHBondContact O-CD2 3.28Å; D527-F531 WeakPolarHBondContact O-CE2 3.47Å |
| 528 | Q | 95.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 2% | 0.023 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -64.9 | -22.2 | 176.5 | 92.9 | -172.2 | -93.4 | 0 | 0 | 113.2 | R132 I525 E526 D530 F531 L547 E551 | R132-Q528 VanDerWaalsContact NH1-OE1 3.08Å; I525-Q528 VanDerWaalsContact O-CG 3.23Å; I525-Q528 WeakPolarHBondContact O-CG 3.47Å; I525-Q528 PolarHBondContact O-NE2 3.22Å; E526-Q528 PolarHBondContact O-N 3.34Å; E526-Q528 VanDerWaalsContact O-N 3.12Å; Q528-D530 VanDerWaalsContact C-N 3.34Å; Q528-D530 PolarHBondContact O-N 3.36Å; Q528-F531 WeakPolarHBondContact O-CA 3.47Å; Q528-F531 WeakPolarHBondContact O-CB 3.32Å; Q528-F531 PolarHBondContact O-N 2.88Å; Q528-L547 HydrophobicContact CB-CD2 4.43Å; Q528-E551 HydrophobicContact CB-CG 4.06Å; Q528-E551 HydrophobicContact CG-CG 4.5Å |
| 529 | F | 95.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -59.3 | -42.1 | -168.3 | -173.2 | -102.8 | 0 | 0 | 0 | 113 | L126 L127 Q130 E526 D527 F531 H532 | L126-F529 HydrophobicContact CB-CE2 3.99Å; L126-F529 HydrophobicContact CB-CZ 3.97Å; L126-F529 HydrophobicContact CD1-CZ 4.49Å; L127-F529 HydrophobicContact CD2-CE2 3.73Å; L127-F529 HydrophobicContact CD2-CZ 4.01Å; Q130-F529 HydrophobicContact CB-CD2 4.13Å; Q130-F529 HydrophobicContact CB-CE2 4.4Å; Q130-F529 HydrophobicContact CG-CD2 4.13Å; E526-F529 VanDerWaalsContact O-CB 3.29Å; E526-F529 WeakPolarHBondContact O-CB 3.27Å; E526-F529 PolarHBondContact O-N 3.01Å; D527-F529 PolarHBondContact O-N 3.36Å; F529-F531 PolarHBondContact O-N 3.23Å; F529-H532 AromaticContact CD2-CD2 3.81Å; F529-H532 WeakPolarHBondContact O-CB 3.27Å; F529-H532 PolarHBondContact O-CD2 3.45Å; F529-H532 VanDerWaalsContact O-CD2 3.31Å; F529-H532 PolarHBondContact O-N 3.07Å |
| 530 | D | 93.1 | Very high | 94.3 | Very high | 124 Ų | 124 | 48 Ų | 48 | 66% | 0.663 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -68.8 | -25.2 | 178.9 | -76.3 | -17.7 | 0 | 0 | 0 | 112.2 | Q528 H532 T533 Y534 | Q528-D530 VanDerWaalsContact C-N 3.34Å; Q528-D530 PolarHBondContact O-N 3.36Å; D530-H532 VanDerWaalsContact C-N 3.3Å; D530-H532 PolarHBondContact O-N 3.42Å; D530-T533 PolarHBondContact O-N 3.3Å; D530-Y534 WeakPolarHBondContact O-CB 3.49Å; D530-Y534 PolarHBondContact O-N 3.16Å |
| 531 | F | 96.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 48 Ų | 48 | 38% | 0.382 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.8 | -24.2 | 179.4 | -65.6 | -82.6 | 0 | 0 | 0 | 113.1 | D527 Q528 F529 T533 Y534 C535 L547 | D527-F531 VanDerWaalsContact O-CD2 3.23Å; D527-F531 WeakPolarHBondContact O-CD2 3.28Å; D527-F531 WeakPolarHBondContact O-CE2 3.47Å; Q528-F531 WeakPolarHBondContact O-CA 3.47Å; Q528-F531 WeakPolarHBondContact O-CB 3.32Å; Q528-F531 PolarHBondContact O-N 2.88Å; F529-F531 PolarHBondContact O-N 3.23Å; F531-T533 PolarHBondContact O-N 3.39Å; F531-Y534 HydrophobicContact CD1-CD1 4.13Å; F531-Y534 HydrophobicContact CE1-CD1 4.47Å; F531-Y534 PolarHBondContact O-N 3.46Å; F531-C535 WeakPolarHBondContact O-CB 3.42Å; F531-C535 PolarHBondContact O-N 3.01Å; F531-L547 HydrophobicContact CB-CD2 3.85Å; F531-L547 HydrophobicContact CD2-CD2 4.27Å; F531-L547 HydrophobicContact CG-CD2 4.04Å |
| 532 | H | 95.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.9 | -34.4 | 173.6 | -59.8 | -32.8 | 0 | 0 | 0 | 113 | L126 Q130 F529 D530 F536 Y544 | L126-H532 HydrophobicContact CD2-CB 3.53Å; Q130-H532 PolarHBondContact OE1-NE2 3.48Å; F529-H532 AromaticContact CD2-CD2 3.81Å; F529-H532 WeakPolarHBondContact O-CB 3.27Å; F529-H532 PolarHBondContact O-CD2 3.45Å; F529-H532 VanDerWaalsContact O-CD2 3.31Å; F529-H532 PolarHBondContact O-N 3.07Å; D530-H532 VanDerWaalsContact C-N 3.3Å; D530-H532 PolarHBondContact O-N 3.42Å; H532-F536 WeakPolarHBondContact O-CD2 3.45Å; H532-Y544 WeakPolarHBondContact CA-OH 3.36Å; H532-Y544 AromaticContact ND1-CE2 3.79Å; H532-Y544 AromaticContact ND1-CZ 3.68Å; H532-Y544 PolarHBondContact ND1-OH 3.06Å |
| 533 | T | 93 | Very high | 94.3 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -94.2 | -40.1 | 174.9 | -59 | 0 | 0 | 0 | 0 | 111.7 | L126 D530 F531 C535 F536 R537 | L126-T533 WeakPolarHBondContact CD2-OG1 3.5Å; D530-T533 PolarHBondContact O-N 3.3Å; F531-T533 PolarHBondContact O-N 3.39Å; T533-C535 PolarHBondContact O-N 3.48Å; T533-F536 PolarHBondContact O-N 3.12Å; T533-R537 PolarHBondContact O-N 3.25Å |
| 534 | Y | 95 | Very high | 94.5 | Very high | 97 Ų | 97 | 46.8 Ų | 46.8 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.1 | -46 | -175.5 | -179.8 | -88.9 | 0 | 0 | 0 | 112.7 | D530 F531 F536 R537 R538 | D530-Y534 WeakPolarHBondContact O-CB 3.49Å; D530-Y534 PolarHBondContact O-N 3.16Å; F531-Y534 HydrophobicContact CD1-CD1 4.13Å; F531-Y534 HydrophobicContact CE1-CD1 4.47Å; F531-Y534 PolarHBondContact O-N 3.46Å; Y534-F536 VanDerWaalsContact C-N 3.32Å; Y534-F536 PolarHBondContact O-N 2.93Å; Y534-R537 VanDerWaalsContact CD2-NH2 3.34Å; Y534-R537 WeakPolarHBondContact O-CB 3.39Å; Y534-R537 PolarHBondContact O-N 3.37Å; Y534-R538 HydrophobicContact CD1-CG 4.07Å; Y534-R538 HydrophobicContact CD2-CG 4.47Å; Y534-R538 HydrophobicContact CE1-CB 4.25Å; Y534-R538 HydrophobicContact CE1-CG 3.59Å; Y534-R538 HydrophobicContact CE2-CG 4.04Å; Y534-R538 HydrophobicContact CG-CG 4.47Å; Y534-R538 PolarHBondContact O-N 3.46Å |
| 535 | C | 95.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 45 Ų | 45 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.8 | -33.5 | -176.4 | -72.5 | 0 | 0 | 0 | 0 | 112.5 | F531 T533 R537 R538 M539 T540 Y544 | F531-C535 WeakPolarHBondContact O-CB 3.42Å; F531-C535 PolarHBondContact O-N 3.01Å; T533-C535 PolarHBondContact O-N 3.48Å; C535-R537 VanDerWaalsContact C-N 3.33Å; C535-R538 PolarHBondContact O-N 3.39Å; C535-M539 WeakPolarHBondContact O-CA 3.23Å; C535-M539 PolarHBondContact O-N 2.75Å; C535-T540 PolarHBondContact O-N 3.47Å; C535-Y544 HydrophobicContact CB-CD1 4.15Å; C535-Y544 HydrophobicContact CB-CD2 3.81Å; C535-Y544 HydrophobicContact CB-CG 3.6Å |
| 536 | F | 89.7 | Confident | 94.6 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.9 | -31.9 | 172.4 | -66.1 | -12 | 0 | 0 | 0 | 112.9 | Y137 V153 I156 L160 H532 T533 Y534 L541 Y544 | Y137-F536 WeakPolarHBondContact OH-CE2 3.22Å; Y137-F536 WeakPolarHBondContact OH-CZ 3.45Å; V153-F536 HydrophobicContact CG1-CB 4.22Å; V153-F536 HydrophobicContact CG1-CD2 4.06Å; I156-F536 HydrophobicContact CG2-CD1 3.92Å; I156-F536 HydrophobicContact CG2-CE1 4.11Å; L160-F536 HydrophobicContact CB-CZ 4.44Å; L160-F536 HydrophobicContact CD2-CE1 3.74Å; L160-F536 HydrophobicContact CD2-CZ 3.53Å; H532-F536 WeakPolarHBondContact O-CD2 3.45Å; T533-F536 PolarHBondContact O-N 3.12Å; Y534-F536 VanDerWaalsContact C-N 3.32Å; Y534-F536 PolarHBondContact O-N 2.93Å; F536-L541 HydrophobicContact CD1-CD2 3.75Å; F536-L541 HydrophobicContact CE1-CD2 4.09Å; F536-Y544 HydrophobicContact CD1-CE1 4.49Å; F536-Y544 AromaticContact CE1-CD1 3.9Å; F536-Y544 HydrophobicContact CE1-CD1 3.9Å; F536-Y544 AromaticContact CE1-CE1 3.66Å; F536-Y544 HydrophobicContact CE1-CE1 3.66Å; F536-Y544 AromaticContact CZ-CE1 3.99Å; F536-Y544 HydrophobicContact CZ-CE1 3.99Å |
| 537 | R | 89 | Confident | 94.8 | Very high | 148 Ų | 148 | 50.9 Ų | 50.9 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -71.7 | -35.2 | 175.2 | -174.2 | 177.1 | 61.6 | -170.9 | -1.7 | 111.7 | R152 T533 Y534 C535 | R152-R537 PolarHBondContact NH2-O 3.17Å; T533-R537 PolarHBondContact O-N 3.25Å; Y534-R537 VanDerWaalsContact CD2-NH2 3.34Å; Y534-R537 WeakPolarHBondContact O-CB 3.39Å; Y534-R537 PolarHBondContact O-N 3.37Å; C535-R537 VanDerWaalsContact C-N 3.33Å |
| 538 | R | 91.1 | Very high | 94.9 | Very high | 122 Ų | 122 | 46.4 Ų | 46.4 | 46% | 0.46 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -97.3 | -3.9 | -177.1 | -62.9 | -60.9 | -64.6 | -152.4 | -3 | 115 | Y534 C535 T540 | Y534-R538 HydrophobicContact CD1-CG 4.07Å; Y534-R538 HydrophobicContact CD2-CG 4.47Å; Y534-R538 HydrophobicContact CE1-CB 4.25Å; Y534-R538 HydrophobicContact CE1-CG 3.59Å; Y534-R538 HydrophobicContact CE2-CG 4.04Å; Y534-R538 HydrophobicContact CG-CG 4.47Å; Y534-R538 PolarHBondContact O-N 3.46Å; C535-R538 PolarHBondContact O-N 3.39Å; R538-T540 PolarHBondContact O-N 3.32Å |
| 539 | M | 90.8 | Very high | 95 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.034 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 16.4 | -179.5 | -151.5 | 67.4 | 123.5 | 0 | 0 | 115.6 | I156 F178 E190 E193 F194 C535 L541 | I156-M539 HydrophobicContact CD1-CE 3.68Å; I156-M539 HydrophobicContact CD1-SD 3.31Å; I156-M539 WeakPolarHBondContact CD1-SD 3.44Å; I156-M539 HydrophobicContact CG1-CE 4.33Å; I156-M539 HydrophobicContact CG1-SD 4.07Å; F178-M539 HydrophobicContact CE1-CE 3.9Å; F178-M539 HydrophobicContact CZ-CE 4.32Å; E190-M539 HydrophobicContact CB-CB 3.75Å; E190-M539 HydrophobicContact CB-CG 4.15Å; E190-M539 HydrophobicContact CG-CB 3.98Å; E190-M539 VanDerWaalsContact O-CG 3.26Å; E190-M539 WeakPolarHBondContact O-CG 3.19Å; E193-M539 VanDerWaalsContact CB-O 3.27Å; E193-M539 WeakPolarHBondContact CB-O 3.23Å; F194-M539 HydrophobicContact CB-CE 4.03Å; F194-M539 HydrophobicContact CB-CG 4.08Å; F194-M539 HydrophobicContact CD2-CE 3.97Å; F194-M539 HydrophobicContact CG-CE 4.22Å; C535-M539 WeakPolarHBondContact O-CA 3.23Å; C535-M539 PolarHBondContact O-N 2.75Å; M539-L541 PolarHBondContact O-N 2.82Å; M539-L541 HydrophobicContact SD-CD1 4.04Å; M539-L541 HydrophobicContact SD-CG 4.42Å |
| 540 | T | 94.9 | Very high | 95.1 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 19% | 0.19 | 25% | 0.251 | C | S | . | . | trans | -82.1 | 58.9 | 178.7 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | F189 C535 R538 A543 Y544 | F189-T540 HydrophobicContact CE1-CG2 4Å; F189-T540 HydrophobicContact CZ-CG2 4.18Å; C535-T540 PolarHBondContact O-N 3.47Å; R538-T540 PolarHBondContact O-N 3.32Å; T540-A543 PolarHBondContact O-N 2.97Å; T540-Y544 WeakPolarHBondContact O-CB 3.47Å; T540-Y544 PolarHBondContact O-N 3.38Å | ||
| 541 | L | 95.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.7 | -38.1 | -168.1 | -57.3 | 177.8 | 0 | 0 | 0 | 112.9 | I156 Y197 F536 M539 A543 Y544 V545 | I156-L541 HydrophobicContact CG2-CD1 3.61Å; I156-L541 HydrophobicContact CG2-CD2 3.57Å; I156-L541 HydrophobicContact CG2-CG 4.24Å; Y197-L541 HydrophobicContact CD1-CB 4.2Å; Y197-L541 HydrophobicContact CD1-CD1 3.59Å; Y197-L541 HydrophobicContact CD2-CB 3.62Å; Y197-L541 HydrophobicContact CE1-CD1 4.05Å; Y197-L541 HydrophobicContact CE2-CB 4.18Å; Y197-L541 HydrophobicContact CG-CB 3.62Å; Y197-L541 HydrophobicContact CG-CD1 3.85Å; Y197-L541 HydrophobicContact CG-CG 4.4Å; F536-L541 HydrophobicContact CD1-CD2 3.75Å; F536-L541 HydrophobicContact CE1-CD2 4.09Å; M539-L541 PolarHBondContact O-N 2.82Å; M539-L541 HydrophobicContact SD-CD1 4.04Å; M539-L541 HydrophobicContact SD-CG 4.42Å; L541-A543 VanDerWaalsContact C-N 3.34Å; L541-A543 PolarHBondContact O-N 3.05Å; L541-Y544 WeakPolarHBondContact O-CB 3.31Å; L541-Y544 PolarHBondContact O-N 3.47Å; L541-Y544 VanDerWaalsContact O-N 3.17Å; L541-V545 WeakPolarHBondContact O-CG2 3.49Å; L541-V545 PolarHBondContact O-N 3.02Å |
| 542 | C | 97 | Very high | 95.2 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 174.5 | -70.8 | 0 | 0 | 0 | 0 | 111.3 | Y197 M200 Y544 R546 | Y197-C542 VanDerWaalsContact CA-SG 3.52Å; Y197-C542 PolarHBondContact N-SG 3.23Å; Y197-C542 VanDerWaalsContact N-SG 3.42Å; M200-C542 HydrophobicContact CE-CB 3.82Å; C542-Y544 VanDerWaalsContact C-N 3.3Å; C542-Y544 PolarHBondContact O-N 3.17Å; C542-R546 VanDerWaalsContact O-CG 3.3Å; C542-R546 WeakPolarHBondContact O-CG 3.04Å; C542-R546 PolarHBondContact O-N 3.46Å; C542-R546 VanDerWaalsContact O-N 3.14Å |
| 543 | A | 97.2 | Very high | 95.2 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T540 L541 R546 L547 | T540-A543 PolarHBondContact O-N 2.97Å; L541-A543 VanDerWaalsContact C-N 3.34Å; L541-A543 PolarHBondContact O-N 3.05Å; A543-R546 PolarHBondContact O-N 3.45Å; A543-L547 PolarHBondContact O-N 3.19Å |
| 544 | Y | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.7 | -45.6 | 178.9 | -177.8 | -130.4 | 0 | 0 | 0 | 113 | L129 L160 H532 C535 F536 T540 L541 C542 R546 L547 L548 | L129-Y544 HydrophobicContact CD2-CE1 4.36Å; L129-Y544 WeakPolarHBondContact CD2-OH 3.38Å; L160-Y544 HydrophobicContact CD2-CD1 4.01Å; L160-Y544 HydrophobicContact CD2-CE1 3.47Å; L160-Y544 VanDerWaalsContact CD2-CE1 3.47Å; H532-Y544 WeakPolarHBondContact CA-OH 3.36Å; H532-Y544 AromaticContact ND1-CE2 3.79Å; H532-Y544 AromaticContact ND1-CZ 3.68Å; H532-Y544 PolarHBondContact ND1-OH 3.06Å; C535-Y544 HydrophobicContact CB-CD1 4.15Å; C535-Y544 HydrophobicContact CB-CD2 3.81Å; C535-Y544 HydrophobicContact CB-CG 3.6Å; F536-Y544 HydrophobicContact CD1-CE1 4.49Å; F536-Y544 AromaticContact CE1-CD1 3.9Å; F536-Y544 HydrophobicContact CE1-CD1 3.9Å; F536-Y544 AromaticContact CE1-CE1 3.66Å; F536-Y544 HydrophobicContact CE1-CE1 3.66Å; F536-Y544 AromaticContact CZ-CE1 3.99Å; F536-Y544 HydrophobicContact CZ-CE1 3.99Å; T540-Y544 WeakPolarHBondContact O-CB 3.47Å; T540-Y544 PolarHBondContact O-N 3.38Å; L541-Y544 WeakPolarHBondContact O-CB 3.31Å; L541-Y544 PolarHBondContact O-N 3.47Å; L541-Y544 VanDerWaalsContact O-N 3.17Å; C542-Y544 VanDerWaalsContact C-N 3.3Å; C542-Y544 PolarHBondContact O-N 3.17Å; Y544-R546 VanDerWaalsContact C-N 3.29Å; Y544-R546 PolarHBondContact O-N 2.89Å; Y544-L547 HydrophobicContact CD2-CD2 4.46Å; Y544-L547 WeakPolarHBondContact O-CB 3.43Å; Y544-L547 PolarHBondContact O-N 3.41Å; Y544-L547 VanDerWaalsContact O-N 3.13Å; Y544-L548 HydrophobicContact CD1-CD1 4.42Å; Y544-L548 HydrophobicContact CD2-CG 4.41Å; Y544-L548 HydrophobicContact CE1-CD1 3.98Å; Y544-L548 HydrophobicContact CE2-CD1 4.29Å; Y544-L548 HydrophobicContact CE2-CD2 3.91Å; Y544-L548 HydrophobicContact CE2-CG 4.03Å; Y544-L548 WeakPolarHBondContact O-CG 3.37Å; Y544-L548 PolarHBondContact O-N 2.76Å |
| 545 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 174.5 | 173.9 | 0 | 0 | 0 | 0 | 111 | L160 Y197 M200 L541 L547 L548 R549 | L160-V545 HydrophobicContact CD1-CG2 3.71Å; Y197-V545 HydrophobicContact CE2-CG2 3.92Å; M200-V545 HydrophobicContact SD-CB 4.37Å; M200-V545 HydrophobicContact SD-CG1 4.28Å; L541-V545 WeakPolarHBondContact O-CG2 3.49Å; L541-V545 PolarHBondContact O-N 3.02Å; V545-L547 VanDerWaalsContact C-N 3.34Å; V545-L547 PolarHBondContact O-N 2.85Å; V545-L548 PolarHBondContact O-N 3.43Å; V545-R549 WeakPolarHBondContact O-CG 3.49Å; V545-R549 PolarHBondContact O-N 3.38Å |
| 546 | R | 97.7 | Very high | 95.4 | Very high | 153 Ų | 153 | 53.6 Ų | 53.6 | 58% | 0.577 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.3 | -39.6 | 173.7 | -69.3 | 174.2 | -167.3 | 175 | 4.9 | 112.2 | C542 A543 Y544 L550 | C542-R546 VanDerWaalsContact O-CG 3.3Å; C542-R546 WeakPolarHBondContact O-CG 3.04Å; C542-R546 PolarHBondContact O-N 3.46Å; C542-R546 VanDerWaalsContact O-N 3.14Å; A543-R546 PolarHBondContact O-N 3.45Å; Y544-R546 VanDerWaalsContact C-N 3.29Å; Y544-R546 PolarHBondContact O-N 2.89Å; R546-L550 WeakPolarHBondContact O-CB 3.39Å; R546-L550 PolarHBondContact O-N 3.22Å |
| 547 | L | 97.8 | Very high | 95.8 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -52.2 | 174.2 | 175.2 | 65.8 | 0 | 0 | 0 | 110.5 | Q528 F531 A543 Y544 V545 R549 L550 E551 | Q528-L547 HydrophobicContact CB-CD2 4.43Å; F531-L547 HydrophobicContact CB-CD2 3.85Å; F531-L547 HydrophobicContact CD2-CD2 4.27Å; F531-L547 HydrophobicContact CG-CD2 4.04Å; A543-L547 PolarHBondContact O-N 3.19Å; Y544-L547 HydrophobicContact CD2-CD2 4.46Å; Y544-L547 WeakPolarHBondContact O-CB 3.43Å; Y544-L547 PolarHBondContact O-N 3.41Å; Y544-L547 VanDerWaalsContact O-N 3.13Å; V545-L547 VanDerWaalsContact C-N 3.34Å; V545-L547 PolarHBondContact O-N 2.85Å; L547-R549 VanDerWaalsContact C-N 3.28Å; L547-R549 PolarHBondContact O-N 3.4Å; L547-L550 WeakPolarHBondContact O-CA 3.38Å; L547-L550 WeakPolarHBondContact O-CB 3.4Å; L547-L550 PolarHBondContact O-N 3.43Å; L547-E551 HydrophobicContact CD1-CG 4.04Å; L547-E551 HydrophobicContact CG-CG 4.34Å; L547-E551 WeakPolarHBondContact O-CG 3.44Å; L547-E551 PolarHBondContact O-N 2.65Å |
| 548 | L | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.9 | -45.8 | 179.5 | -64.8 | 175.2 | 0 | 0 | 0 | 111.7 | L129 R132 L164 Y544 V545 L550 E551 D552 | L129-L548 HydrophobicContact CD1-CD1 4.41Å; R132-L548 PolarHBondContact NH2-O 3.42Å; R132-L548 VanDerWaalsContact NH2-O 3.09Å; L164-L548 HydrophobicContact CD1-CD1 4.1Å; L164-L548 HydrophobicContact CD2-CD1 4.49Å; Y544-L548 HydrophobicContact CD1-CD1 4.42Å; Y544-L548 HydrophobicContact CD2-CG 4.41Å; Y544-L548 HydrophobicContact CE1-CD1 3.98Å; Y544-L548 HydrophobicContact CE2-CD1 4.29Å; Y544-L548 HydrophobicContact CE2-CD2 3.91Å; Y544-L548 HydrophobicContact CE2-CG 4.03Å; Y544-L548 WeakPolarHBondContact O-CG 3.37Å; Y544-L548 PolarHBondContact O-N 2.76Å; V545-L548 PolarHBondContact O-N 3.43Å; L548-L550 VanDerWaalsContact C-N 3.35Å; L548-L550 PolarHBondContact O-N 2.88Å; L548-E551 PolarHBondContact O-N 3.09Å; L548-D552 PolarHBondContact O-N 3.01Å; L548-D552 VanDerWaalsContact O-N 3.09Å |
| 549 | R | 97.1 | Very high | 96.4 | Very high | 99 Ų | 99 | 51.4 Ų | 51.4 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.6 | -32.9 | 177.6 | -68.8 | 172.5 | 179.7 | 164.9 | 5.3 | 113.3 | E204 V545 L547 | E204-R549 IonicContact OE1-CZ 2.96Å; E204-R549 VanDerWaalsContact OE1-CZ 3.28Å; E204-R549 IonicContact OE1-NH1 3.75Å; E204-R549 PolarHBondContact OE1-NH1 2.88Å; E204-R549 IonicContact OE1-NH2 3.93Å; E204-R549 PolarHBondContact OE1-NH2 3.32Å; E204-R549 IonicContact OE2-CZ 3.51Å; E204-R549 IonicContact OE2-NH1 2.85Å; E204-R549 IonicContact OE2-NH2 3.11Å; E204-R549 PolarHBondContact OE2-NH2 3.32Å; V545-R549 WeakPolarHBondContact O-CG 3.49Å; V545-R549 PolarHBondContact O-N 3.38Å; L547-R549 VanDerWaalsContact C-N 3.28Å; L547-R549 PolarHBondContact O-N 3.4Å |
| 550 | L | 96.9 | Very high | 96.8 | Very high | 99 Ų | 99 | 51 Ų | 51 | 52% | 0.518 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.5 | -47.1 | 173.4 | 172.8 | 65.7 | 0 | 0 | 0 | 110.4 | R546 L547 L548 D552 L553 L554 | R546-L550 WeakPolarHBondContact O-CB 3.39Å; R546-L550 PolarHBondContact O-N 3.22Å; L547-L550 WeakPolarHBondContact O-CA 3.38Å; L547-L550 WeakPolarHBondContact O-CB 3.4Å; L547-L550 PolarHBondContact O-N 3.43Å; L548-L550 VanDerWaalsContact C-N 3.35Å; L548-L550 PolarHBondContact O-N 2.88Å; L550-D552 VanDerWaalsContact C-N 3.32Å; L550-D552 PolarHBondContact O-N 2.88Å; L550-L553 CarbonylContact O-C 3.53Å; L550-L553 WeakPolarHBondContact O-CA 3.44Å; L550-L553 PolarHBondContact O-N 2.84Å; L550-L554 PolarHBondContact O-N 3.12Å |
| 551 | E | 96.5 | Very high | 96.9 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -38.4 | -178.1 | -65.7 | -59.8 | 162.4 | 0 | 0 | 112.2 | I525 Q528 L547 L548 L553 L554 | I525-E551 WeakPolarHBondContact CA-OE2 3.42Å; Q528-E551 HydrophobicContact CB-CG 4.06Å; Q528-E551 HydrophobicContact CG-CG 4.5Å; L547-E551 HydrophobicContact CD1-CG 4.04Å; L547-E551 HydrophobicContact CG-CG 4.34Å; L547-E551 WeakPolarHBondContact O-CG 3.44Å; L547-E551 PolarHBondContact O-N 2.65Å; L548-E551 PolarHBondContact O-N 3.09Å; E551-L553 PolarHBondContact O-N 3.4Å; E551-L553 VanDerWaalsContact O-N 3.07Å; E551-L554 WeakPolarHBondContact O-CB 3.47Å; E551-L554 PolarHBondContact O-N 3.04Å; E551-L554 VanDerWaalsContact O-N 3.16Å |
| 552 | D | 95.8 | Very high | 97 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.6 | 175.1 | -65.3 | -11.3 | 0 | 0 | 0 | 112.6 | R132 L548 L550 L667 | R132-D552 IonicContact CZ-OD1 3.47Å; R132-D552 IonicContact NE-OD1 3.66Å; R132-D552 PolarHBondContact NE-OD1 3.06Å; R132-D552 IonicContact NE-OD2 2.7Å; R132-D552 IonicContact NH2-OD1 3.43Å; R132-D552 PolarHBondContact NH2-OD1 2.86Å; L548-D552 PolarHBondContact O-N 3.01Å; L548-D552 VanDerWaalsContact O-N 3.09Å; L550-D552 VanDerWaalsContact C-N 3.32Å; L550-D552 PolarHBondContact O-N 2.88Å; D552-L667 VanDerWaalsContact O-CD2 3.29Å; D552-L667 WeakPolarHBondContact O-CD2 3.38Å |
| 553 | L | 96.1 | Very high | 97 | Very high | 76 Ų | 76 | 53.4 Ų | 53.4 | 40% | 0.398 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 6.4 | -177.2 | -61.4 | -175 | 0 | 0 | 0 | 113.1 | L550 E551 R555 K556 L667 | L550-L553 CarbonylContact O-C 3.53Å; L550-L553 WeakPolarHBondContact O-CA 3.44Å; L550-L553 PolarHBondContact O-N 2.84Å; E551-L553 PolarHBondContact O-N 3.4Å; E551-L553 VanDerWaalsContact O-N 3.07Å; L553-R555 VanDerWaalsContact C-N 3.31Å; L553-R555 PolarHBondContact O-N 3.22Å; L553-K556 HydrophobicContact CB-CD 4.17Å; L553-K556 HydrophobicContact CB-CG 4.5Å; L553-K556 HydrophobicContact CD2-CD 4.03Å; L553-K556 HydrophobicContact CG-CD 4.48Å; L553-K556 WeakPolarHBondContact O-CB 3.44Å; L553-K556 PolarHBondContact O-N 3.45Å; L553-L667 HydrophobicContact CD2-CD2 4.15Å |
| 554 | L | 96.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.12 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -57.4 | -43.1 | -166.5 | -168.6 | 74.7 | 0 | 0 | 0 | 112.4 | F521 I524 I525 L550 E551 K556 H557 | F521-L554 HydrophobicContact CD1-CD2 3.8Å; F521-L554 HydrophobicContact CD1-CG 3.8Å; F521-L554 HydrophobicContact CE1-CD2 4.49Å; F521-L554 HydrophobicContact CE1-CG 4.09Å; F521-L554 WeakPolarHBondContact CE1-O 3.13Å; I524-L554 HydrophobicContact CB-CD2 3.77Å; I524-L554 HydrophobicContact CG2-CD1 4.1Å; I524-L554 HydrophobicContact CG2-CD2 3.51Å; I524-L554 HydrophobicContact CG2-CG 4.47Å; I525-L554 HydrophobicContact CD1-CD2 4.26Å; I525-L554 HydrophobicContact CG1-CB 4.45Å; I525-L554 HydrophobicContact CG1-CD2 3.68Å; L550-L554 PolarHBondContact O-N 3.12Å; E551-L554 WeakPolarHBondContact O-CB 3.47Å; E551-L554 PolarHBondContact O-N 3.04Å; E551-L554 VanDerWaalsContact O-N 3.16Å; L554-K556 PolarHBondContact O-N 2.98Å; L554-K556 VanDerWaalsContact O-N 3.11Å; L554-H557 VanDerWaalsContact O-CB 3.29Å; L554-H557 WeakPolarHBondContact O-CB 3.42Å; L554-H557 PolarHBondContact O-N 3.39Å |
| 555 | R | 96.8 | Very high | 97.1 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 20% | 0.2 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -70.1 | -1.6 | 178 | -72.4 | -175.3 | 172.6 | 90.7 | -1.4 | 114.4 | D518 F521 T522 L553 H557 F560 P663 L667 | D518-R555 IonicContact OD1-CZ 2.93Å; D518-R555 IonicContact OD1-NE 3.83Å; D518-R555 PolarHBondContact OD1-NE 3.47Å; D518-R555 VanDerWaalsContact OD1-NE 3.11Å; D518-R555 IonicContact OD1-NH2 3.85Å; D518-R555 PolarHBondContact OD1-NH2 3.09Å; F521-R555 HydrophobicContact CB-CG 4.28Å; F521-R555 HydrophobicContact CD1-CG 3.98Å; F521-R555 HydrophobicContact CG-CG 4.23Å; T522-R555 PolarHBondContact OG1-NH2 3.37Å; L553-R555 VanDerWaalsContact C-N 3.31Å; L553-R555 PolarHBondContact O-N 3.22Å; R555-H557 PolarHBondContact O-N 3.3Å; R555-F560 HydrophobicContact CB-CB 4.48Å; R555-F560 HydrophobicContact CB-CD1 3.91Å; R555-F560 HydrophobicContact CB-CD2 4.28Å; R555-F560 HydrophobicContact CB-CE1 4.25Å; R555-F560 HydrophobicContact CB-CG 3.94Å; R555-F560 HydrophobicContact CG-CD1 4.36Å; R555-F560 HydrophobicContact CG-CD2 3.86Å; R555-F560 HydrophobicContact CG-CE2 4.06Å; R555-F560 HydrophobicContact CG-CG 4.03Å; R555-F560 HydrophobicContact CG-CZ 4.41Å; R555-F560 VanDerWaalsContact O-CD1 3.27Å; R555-F560 WeakPolarHBondContact O-CD1 3.4Å; R555-P663 HydrophobicContact CB-CB 4.21Å; R555-L667 HydrophobicContact CB-CD1 3.68Å |
| 556 | K | 94.9 | Very high | 97 | Very high | 112 Ų | 112 | 54 Ų | 54 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -69.1 | -16.7 | 164 | -71.1 | -173.1 | 170.1 | 167.6 | 0 | 112.3 | L553 L554 L667 | L553-K556 HydrophobicContact CB-CD 4.17Å; L553-K556 HydrophobicContact CB-CG 4.5Å; L553-K556 HydrophobicContact CD2-CD 4.03Å; L553-K556 HydrophobicContact CG-CD 4.48Å; L553-K556 WeakPolarHBondContact O-CB 3.44Å; L553-K556 PolarHBondContact O-N 3.45Å; L554-K556 PolarHBondContact O-N 2.98Å; L554-K556 VanDerWaalsContact O-N 3.11Å; K556-L667 WeakPolarHBondContact CE-O 3.43Å; K556-L667 HydrophobicContact CG-CB 3.9Å; K556-L667 HydrophobicContact CG-CD1 4.12Å |
| 557 | H | 97.1 | Very high | 97 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -60.4 | 142.7 | -178.6 | -168.1 | -94.1 | 0 | 0 | 0 | 112.3 | F521 L554 R555 F559 F560 F561 | F521-H557 HydrophobicContact CE1-CB 3.9Å; F521-H557 HydrophobicContact CZ-CB 3.97Å; L554-H557 VanDerWaalsContact O-CB 3.29Å; L554-H557 WeakPolarHBondContact O-CB 3.42Å; L554-H557 PolarHBondContact O-N 3.39Å; R555-H557 PolarHBondContact O-N 3.3Å; H557-F559 AromaticContact CE1-CD2 3.22Å; H557-F559 WeakPolarHBondContact CE1-CD2 3.39Å; H557-F559 AromaticContact CE1-CE2 3.73Å; H557-F559 AromaticContact CE1-CG 3.89Å; H557-F559 AromaticContact ND1-CD2 3.48Å; H557-F559 WeakPolarHBondContact ND1-CD2 3.34Å; H557-F559 AromaticContact ND1-CG 3.85Å; H557-F559 PolarHBondContact ND1-N 3.4Å; H557-F559 PolarHBondContact O-N 2.92Å; H557-F559 VanDerWaalsContact O-N 3.1Å; H557-F560 WeakPolarHBondContact O-CB 3.21Å; H557-F560 PolarHBondContact O-N 2.83Å; H557-F561 PolarHBondContact O-N 3.39Å |
| 558 | D | 96.3 | Very high | 97 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.7 | -28.3 | -174.2 | -103.5 | 14.4 | 0 | 0 | 0 | 113.9 | K562 | D558-K562 WeakPolarHBondContact O-CB 3.35Å; D558-K562 WeakPolarHBondContact O-CD 3.49Å; D558-K562 WeakPolarHBondContact O-CG 3.49Å; D558-K562 PolarHBondContact O-N 3.47Å; D558-K562 IonicContact OD2-NZ 3.28Å |
| 559 | F | 97.6 | Very high | 96.9 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 25% | 0.25 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 175.7 | -74.2 | -49.5 | 0 | 0 | 0 | 112.1 | M491 W492 F521 H557 K562 A563 | M491-F559 HydrophobicContact CB-CB 4.17Å; M491-F559 HydrophobicContact CB-CD1 3.98Å; M491-F559 HydrophobicContact CB-CD2 3.75Å; M491-F559 HydrophobicContact CB-CE1 4.32Å; M491-F559 HydrophobicContact CB-CE2 4.13Å; M491-F559 HydrophobicContact CB-CG 3.72Å; M491-F559 HydrophobicContact CB-CZ 4.41Å; M491-F559 HydrophobicContact CG-CD2 4.35Å; M491-F559 HydrophobicContact SD-CB 3.83Å; M491-F559 HydrophobicContact SD-CD2 3.67Å; M491-F559 HydrophobicContact SD-CG 4Å; W492-F559 HydrophobicContact CB-CE1 3.97Å; W492-F559 HydrophobicContact CB-CZ 4.01Å; F521-F559 HydrophobicContact CE2-CB 4.26Å; F521-F559 HydrophobicContact CZ-CB 4.23Å; H557-F559 AromaticContact CE1-CD2 3.22Å; H557-F559 WeakPolarHBondContact CE1-CD2 3.39Å; H557-F559 AromaticContact CE1-CE2 3.73Å; H557-F559 AromaticContact CE1-CG 3.89Å; H557-F559 AromaticContact ND1-CD2 3.48Å; H557-F559 WeakPolarHBondContact ND1-CD2 3.34Å; H557-F559 AromaticContact ND1-CG 3.85Å; H557-F559 PolarHBondContact ND1-N 3.4Å; H557-F559 PolarHBondContact O-N 2.92Å; H557-F559 VanDerWaalsContact O-N 3.1Å; F559-K562 PolarHBondContact O-N 3.41Å; F559-A563 PolarHBondContact O-N 2.8Å |
| 560 | F | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 175.6 | -175.9 | -98.1 | 0 | 0 | 0 | 110.3 | D518 F521 R555 H557 K562 A563 A564 P663 L664 | D518-F560 HydrophobicContact CB-CE2 4.4Å; D518-F560 WeakPolarHBondContact OD1-CE2 3.46Å; F521-F560 HydrophobicContact CD1-CB 4.49Å; F521-F560 HydrophobicContact CD2-CB 4.11Å; F521-F560 AromaticContact CD2-CD2 3.96Å; F521-F560 HydrophobicContact CD2-CD2 3.96Å; F521-F560 HydrophobicContact CE1-CB 4.03Å; F521-F560 HydrophobicContact CE2-CB 3.62Å; F521-F560 HydrophobicContact CE2-CD2 4.3Å; F521-F560 HydrophobicContact CE2-CG 4.48Å; F521-F560 HydrophobicContact CG-CD2 4.24Å; F521-F560 HydrophobicContact CZ-CB 3.58Å; R555-F560 HydrophobicContact CB-CB 4.48Å; R555-F560 HydrophobicContact CB-CD1 3.91Å; R555-F560 HydrophobicContact CB-CD2 4.28Å; R555-F560 HydrophobicContact CB-CE1 4.25Å; R555-F560 HydrophobicContact CB-CG 3.94Å; R555-F560 HydrophobicContact CG-CD1 4.36Å; R555-F560 HydrophobicContact CG-CD2 3.86Å; R555-F560 HydrophobicContact CG-CE2 4.06Å; R555-F560 HydrophobicContact CG-CG 4.03Å; R555-F560 HydrophobicContact CG-CZ 4.41Å; R555-F560 VanDerWaalsContact O-CD1 3.27Å; R555-F560 WeakPolarHBondContact O-CD1 3.4Å; H557-F560 WeakPolarHBondContact O-CB 3.21Å; H557-F560 PolarHBondContact O-N 2.83Å; F560-K562 VanDerWaalsContact C-N 3.3Å; F560-K562 PolarHBondContact O-N 2.68Å; F560-A563 PolarHBondContact O-N 3.47Å; F560-A564 HydrophobicContact CD1-CB 4.44Å; F560-A564 HydrophobicContact CE1-CB 4.11Å; F560-A564 HydrophobicContact CZ-CB 4.42Å; F560-A564 VanDerWaalsContact O-CB 3.27Å; F560-A564 WeakPolarHBondContact O-CB 3.28Å; F560-A564 PolarHBondContact O-N 3.49Å; F560-P663 HydrophobicContact CE1-CB 3.77Å; F560-P663 HydrophobicContact CE1-CG 4.22Å; F560-P663 HydrophobicContact CZ-CB 3.84Å; F560-P663 HydrophobicContact CZ-CG 3.8Å; F560-L664 HydrophobicContact CD1-CD2 3.73Å; F560-L664 HydrophobicContact CE1-CD2 3.73Å; F560-L664 HydrophobicContact CE1-CG 4.06Å |
| 561 | F | 97.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.7 | -41.3 | 178 | 174.6 | -104.4 | 0 | 0 | 0 | 112.6 | H557 K565 L664 K671 A673 A674 | H557-F561 PolarHBondContact O-N 3.39Å; F561-K565 HydrophobicContact CE1-CD 4.27Å; F561-K565 HydrophobicContact CZ-CD 4.2Å; F561-K565 WeakPolarHBondContact O-CB 3.45Å; F561-K565 PolarHBondContact O-N 2.86Å; F561-L664 HydrophobicContact CB-CD2 4.49Å; F561-L664 HydrophobicContact CD2-CD1 4.25Å; F561-L664 HydrophobicContact CD2-CD2 4.17Å; F561-K671 HydrophobicContact CD1-CG 4.21Å; F561-K671 HydrophobicContact CD2-CB 4.29Å; F561-K671 HydrophobicContact CD2-CG 4.24Å; F561-K671 HydrophobicContact CE1-CB 4.19Å; F561-K671 HydrophobicContact CE1-CG 4.01Å; F561-K671 HydrophobicContact CE2-CB 3.68Å; F561-K671 HydrophobicContact CE2-CG 4.05Å; F561-K671 HydrophobicContact CG-CG 4.31Å; F561-K671 HydrophobicContact CZ-CB 3.62Å; F561-K671 HydrophobicContact CZ-CG 3.93Å; F561-A673 HydrophobicContact CZ-CB 4.12Å; F561-A674 HydrophobicContact CE2-CB 4.02Å |
| 562 | K | 97 | Very high | 96.7 | Very high | 64 Ų | 64 | 36 Ų | 36 | 28% | 0.278 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 179.1 | -71 | 166.1 | -172.4 | 159.1 | 0 | 112.2 | T495 D558 F559 F560 C566 | T495-K562 HydrophobicContact CG2-CB 3.6Å; T495-K562 HydrophobicContact CG2-CD 4.13Å; T495-K562 HydrophobicContact CG2-CG 4.41Å; D558-K562 WeakPolarHBondContact O-CB 3.35Å; D558-K562 WeakPolarHBondContact O-CD 3.49Å; D558-K562 WeakPolarHBondContact O-CG 3.49Å; D558-K562 PolarHBondContact O-N 3.47Å; D558-K562 IonicContact OD2-NZ 3.28Å; F559-K562 PolarHBondContact O-N 3.41Å; F560-K562 VanDerWaalsContact C-N 3.3Å; F560-K562 PolarHBondContact O-N 2.68Å; K562-C566 WeakPolarHBondContact O-CB 3.2Å; K562-C566 PolarHBondContact O-N 2.76Å |
| 563 | A | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.7 | -50.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I517 F559 F560 K565 C566 A567 | I517-A563 HydrophobicContact CB-CB 3.97Å; I517-A563 HydrophobicContact CD1-CB 3.78Å; I517-A563 HydrophobicContact CG1-CB 4.5Å; I517-A563 HydrophobicContact CG2-CB 3.78Å; F559-A563 PolarHBondContact O-N 2.8Å; F560-A563 PolarHBondContact O-N 3.47Å; A563-K565 PolarHBondContact O-N 3.27Å; A563-C566 CarbonylContact O-C 3.28Å; A563-C566 WeakPolarHBondContact O-CA 3.35Å; A563-C566 VanDerWaalsContact O-CB 3.29Å; A563-C566 WeakPolarHBondContact O-CB 3.17Å; A563-C566 PolarHBondContact O-N 2.88Å; A563-A567 PolarHBondContact O-N 2.88Å |
| 564 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | F560 C566 A567 I568 F660 L664 | F560-A564 HydrophobicContact CD1-CB 4.44Å; F560-A564 HydrophobicContact CE1-CB 4.11Å; F560-A564 HydrophobicContact CZ-CB 4.42Å; F560-A564 VanDerWaalsContact O-CB 3.27Å; F560-A564 WeakPolarHBondContact O-CB 3.28Å; F560-A564 PolarHBondContact O-N 3.49Å; A564-C566 PolarHBondContact O-N 3.46Å; A564-A567 PolarHBondContact O-N 3.12Å; A564-I568 HydrophobicContact CB-CD1 4.47Å; A564-I568 WeakPolarHBondContact O-CB 3.49Å; A564-I568 WeakPolarHBondContact O-CD1 3.35Å; A564-I568 WeakPolarHBondContact O-CG1 3.45Å; A564-I568 PolarHBondContact O-N 2.86Å; A564-F660 HydrophobicContact CB-CB 3.84Å; A564-F660 HydrophobicContact CB-CD1 4.1Å; A564-F660 HydrophobicContact CB-CG 4.42Å; A564-L664 HydrophobicContact CB-CD1 3.91Å; A564-L664 HydrophobicContact CB-CG 4.44Å |
| 565 | K | 97.3 | Very high | 96.1 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 25% | 0.248 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.5 | -36.3 | 174.2 | -176.2 | -176.4 | 176 | -172.3 | 0 | 111.7 | F561 A563 K569 L677 E862 | F561-K565 HydrophobicContact CE1-CD 4.27Å; F561-K565 HydrophobicContact CZ-CD 4.2Å; F561-K565 WeakPolarHBondContact O-CB 3.45Å; F561-K565 PolarHBondContact O-N 2.86Å; A563-K565 PolarHBondContact O-N 3.27Å; K565-K569 WeakPolarHBondContact O-CB 3.44Å; K565-K569 WeakPolarHBondContact O-CD 3.45Å; K565-K569 VanDerWaalsContact O-CG 3.22Å; K565-K569 WeakPolarHBondContact O-CG 3.48Å; K565-L677 HydrophobicContact CB-CD1 4.31Å; K565-L677 HydrophobicContact CG-CD1 3.84Å; K565-E862 IonicContact NZ-OE1 3.93Å; K565-E862 PolarHBondContact NZ-OE1 3.27Å |
| 566 | C | 96.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.3 | -51.5 | 178.4 | -166.8 | 0 | 0 | 0 | 0 | 110.9 | K562 A563 A564 K569 I570 | K562-C566 WeakPolarHBondContact O-CB 3.2Å; K562-C566 PolarHBondContact O-N 2.76Å; A563-C566 CarbonylContact O-C 3.28Å; A563-C566 WeakPolarHBondContact O-CA 3.35Å; A563-C566 VanDerWaalsContact O-CB 3.29Å; A563-C566 WeakPolarHBondContact O-CB 3.17Å; A563-C566 PolarHBondContact O-N 2.88Å; A564-C566 PolarHBondContact O-N 3.46Å; C566-K569 PolarHBondContact O-N 2.89Å; C566-I570 WeakPolarHBondContact O-CG1 3.31Å; C566-I570 PolarHBondContact O-N 3.36Å; C566-I570 VanDerWaalsContact O-N 3.15Å |
| 567 | A | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -51.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | L511 C514 A563 A564 K569 I570 Y571 F660 | L511-A567 HydrophobicContact CD2-CB 4.12Å; C514-A567 HydrophobicContact CB-CB 3.87Å; A563-A567 PolarHBondContact O-N 2.88Å; A564-A567 PolarHBondContact O-N 3.12Å; A567-K569 VanDerWaalsContact C-N 3.26Å; A567-K569 PolarHBondContact O-N 3.39Å; A567-I570 WeakPolarHBondContact O-CB 3.47Å; A567-I570 PolarHBondContact O-N 3.31Å; A567-Y571 HydrophobicContact CB-CD2 4.4Å; A567-Y571 HydrophobicContact CB-CE2 4.26Å; A567-Y571 VanDerWaalsContact O-CD2 3.26Å; A567-Y571 WeakPolarHBondContact O-CD2 3.39Å; A567-Y571 PolarHBondContact O-N 3.49Å; A567-F660 HydrophobicContact CB-CD1 4.08Å; A567-F660 HydrophobicContact CB-CD2 3.65Å; A567-F660 HydrophobicContact CB-CE1 4.14Å; A567-F660 HydrophobicContact CB-CE2 3.72Å; A567-F660 HydrophobicContact CB-CG 3.84Å; A567-F660 HydrophobicContact CB-CZ 3.96Å |
| 568 | I | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -40.2 | -179 | -63.4 | 163 | 0 | 0 | 0 | 110.8 | A564 I570 Y571 L572 F660 L661 L664 L677 V681 | A564-I568 HydrophobicContact CB-CD1 4.47Å; A564-I568 WeakPolarHBondContact O-CB 3.49Å; A564-I568 WeakPolarHBondContact O-CD1 3.35Å; A564-I568 WeakPolarHBondContact O-CG1 3.45Å; A564-I568 PolarHBondContact O-N 2.86Å; I568-I570 VanDerWaalsContact C-N 3.33Å; I568-I570 PolarHBondContact O-N 3.28Å; I568-Y571 PolarHBondContact O-N 3.46Å; I568-L572 HydrophobicContact CG2-CD1 3.97Å; I568-L572 HydrophobicContact CG2-CG 4.31Å; I568-L572 WeakPolarHBondContact O-CB 3.41Å; I568-L572 VanDerWaalsContact O-CG 3.28Å; I568-L572 WeakPolarHBondContact O-CG 3.32Å; I568-L572 PolarHBondContact O-N 3.26Å; I568-F660 HydrophobicContact CD1-CB 4.19Å; I568-F660 HydrophobicContact CG1-CB 3.95Å; I568-L661 HydrophobicContact CD1-CB 4Å; I568-L661 HydrophobicContact CD1-CD1 4.21Å; I568-L664 HydrophobicContact CD1-CD1 4.4Å; I568-L677 HydrophobicContact CB-CD1 4.49Å; I568-L677 HydrophobicContact CG2-CB 3.98Å; I568-L677 HydrophobicContact CG2-CD1 4.48Å; I568-L677 HydrophobicContact CG2-CD2 4.32Å; I568-L677 HydrophobicContact CG2-CG 4.5Å; I568-V681 HydrophobicContact CG2-CG2 3.72Å |
| 569 | K | 94.9 | Very high | 93.4 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.2 | -35.9 | 176.3 | -76.5 | -179.3 | 179.7 | -175.9 | 0 | 113 | R502 K565 C566 A567 R573 L677 E862 | R502-K569 VanDerWaalsContact NH1-CD 3.27Å; K565-K569 WeakPolarHBondContact O-CB 3.44Å; K565-K569 WeakPolarHBondContact O-CD 3.45Å; K565-K569 VanDerWaalsContact O-CG 3.22Å; K565-K569 WeakPolarHBondContact O-CG 3.48Å; C566-K569 PolarHBondContact O-N 2.89Å; A567-K569 VanDerWaalsContact C-N 3.26Å; A567-K569 PolarHBondContact O-N 3.39Å; K569-R573 WeakPolarHBondContact O-CB 3.49Å; K569-R573 PolarHBondContact O-N 3.12Å; K569-L677 HydrophobicContact CG-CD1 4.38Å; K569-L677 HydrophobicContact CG-CD2 3.72Å; K569-E862 IonicContact NZ-OE1 3.14Å; K569-E862 PolarHBondContact NZ-OE1 3.49Å |
| 570 | I | 95.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.1 | -48.8 | 176.5 | -65.9 | 161.9 | 0 | 0 | 0 | 109.2 | R502 F507 A510 L511 C566 A567 I568 L572 R573 L574 | R502-I570 HydrophobicContact CB-CD1 4.18Å; R502-I570 HydrophobicContact CB-CG1 4.43Å; R502-I570 HydrophobicContact CG-CD1 3.99Å; R502-I570 HydrophobicContact CG-CG1 3.7Å; F507-I570 HydrophobicContact CB-CG2 3.66Å; F507-I570 HydrophobicContact CD1-CG1 4.12Å; F507-I570 HydrophobicContact CD1-CG2 3.97Å; F507-I570 HydrophobicContact CG-CG2 3.88Å; A510-I570 HydrophobicContact CB-CD1 3.5Å; A510-I570 VanDerWaalsContact CB-CD1 3.5Å; L511-I570 HydrophobicContact CD1-CG2 3.85Å; L511-I570 HydrophobicContact CD2-CB 4.03Å; L511-I570 HydrophobicContact CD2-CD1 4.11Å; L511-I570 HydrophobicContact CD2-CG2 4.01Å; L511-I570 HydrophobicContact CG-CB 4.32Å; L511-I570 HydrophobicContact CG-CD1 4.17Å; L511-I570 HydrophobicContact CG-CG2 3.79Å; C566-I570 WeakPolarHBondContact O-CG1 3.31Å; C566-I570 PolarHBondContact O-N 3.36Å; C566-I570 VanDerWaalsContact O-N 3.15Å; A567-I570 WeakPolarHBondContact O-CB 3.47Å; A567-I570 PolarHBondContact O-N 3.31Å; I568-I570 VanDerWaalsContact C-N 3.33Å; I568-I570 PolarHBondContact O-N 3.28Å; I570-L572 PolarHBondContact O-N 3.28Å; I570-R573 CarbonylContact O-C 3.51Å; I570-R573 WeakPolarHBondContact O-CA 3.23Å; I570-R573 WeakPolarHBondContact O-CB 3.32Å; I570-R573 PolarHBondContact O-N 3.43Å; I570-L574 HydrophobicContact CG2-CD1 3.89Å; I570-L574 HydrophobicContact CG2-CG 4.13Å; I570-L574 WeakPolarHBondContact O-CG 3.5Å; I570-L574 PolarHBondContact O-N 3.05Å |
| 571 | Y | 96.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 179.7 | -73.3 | -54 | 0 | 0 | 0 | 113.5 | L511 H515 A567 I568 R573 L574 Y575 T650 P653 D656 A657 F660 | L511-Y571 HydrophobicContact CD1-CD1 4.3Å; L511-Y571 HydrophobicContact CD1-CE1 3.67Å; L511-Y571 HydrophobicContact CD2-CD1 4.49Å; L511-Y571 HydrophobicContact CD2-CD2 4.09Å; L511-Y571 HydrophobicContact CD2-CE1 4.02Å; L511-Y571 HydrophobicContact CD2-CE2 3.57Å; H515-Y571 PolarHBondContact NE2-OH 3.08Å; A567-Y571 HydrophobicContact CB-CD2 4.4Å; A567-Y571 HydrophobicContact CB-CE2 4.26Å; A567-Y571 VanDerWaalsContact O-CD2 3.26Å; A567-Y571 WeakPolarHBondContact O-CD2 3.39Å; A567-Y571 PolarHBondContact O-N 3.49Å; I568-Y571 PolarHBondContact O-N 3.46Å; Y571-R573 VanDerWaalsContact C-N 3.3Å; Y571-R573 PolarHBondContact O-N 2.82Å; Y571-L574 HydrophobicContact CD1-CD1 4.24Å; Y571-L574 PolarHBondContact O-N 3.48Å; Y571-Y575 WeakPolarHBondContact O-CB 3.44Å; Y571-Y575 PolarHBondContact O-N 3.39Å; Y571-T650 HydrophobicContact CD1-CG2 4.17Å; Y571-T650 HydrophobicContact CE1-CG2 3.9Å; Y571-P653 WeakPolarHBondContact CB-O 3.41Å; Y571-P653 HydrophobicContact CD1-CB 3.93Å; Y571-D656 HydrophobicContact CD1-CB 4.1Å; Y571-D656 HydrophobicContact CD2-CB 4.3Å; Y571-D656 HydrophobicContact CE1-CB 3.62Å; Y571-D656 HydrophobicContact CE2-CB 3.83Å; Y571-D656 HydrophobicContact CG-CB 4.42Å; Y571-D656 VanDerWaalsContact CZ-CB 3.46Å; Y571-A657 HydrophobicContact CD2-CB 4.16Å; Y571-A657 HydrophobicContact CG-CB 4.33Å; Y571-F660 HydrophobicContact CE2-CD2 4.19Å; Y571-F660 HydrophobicContact CE2-CE2 4.05Å |
| 572 | L | 94.3 | Very high | 87.6 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 171.1 | -74.4 | 170.8 | 0 | 0 | 0 | 111.2 | I568 I570 Y575 D576 L654 L677 E680 V681 | I568-L572 HydrophobicContact CG2-CD1 3.97Å; I568-L572 HydrophobicContact CG2-CG 4.31Å; I568-L572 WeakPolarHBondContact O-CB 3.41Å; I568-L572 VanDerWaalsContact O-CG 3.28Å; I568-L572 WeakPolarHBondContact O-CG 3.32Å; I568-L572 PolarHBondContact O-N 3.26Å; I570-L572 PolarHBondContact O-N 3.28Å; L572-Y575 PolarHBondContact O-N 2.94Å; L572-D576 PolarHBondContact O-N 3.17Å; L572-L654 HydrophobicContact CD2-CD2 4.23Å; L572-L677 HydrophobicContact CD1-CD2 4.03Å; L572-E680 HydrophobicContact CD1-CB 3.99Å; L572-E680 HydrophobicContact CD2-CB 4.38Å; L572-V681 HydrophobicContact CD1-CG2 4.34Å; L572-V681 HydrophobicContact CD2-CG2 3.82Å; L572-V681 HydrophobicContact CG-CG2 4.14Å |
| 573 | R | 90.8 | Very high | 85.2 | Confident | 52 Ų | 52 | 37.5 Ų | 37.5 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.3 | -40.2 | 178.5 | -171.7 | 163.7 | -179.1 | 157.7 | 8.1 | 112.7 | F507 K569 I570 Y571 Y575 D576 A577 E580 E860 | F507-R573 HydrophobicContact CE2-CG 4.45Å; F507-R573 HydrophobicContact CZ-CG 4.31Å; K569-R573 WeakPolarHBondContact O-CB 3.49Å; K569-R573 PolarHBondContact O-N 3.12Å; I570-R573 CarbonylContact O-C 3.51Å; I570-R573 WeakPolarHBondContact O-CA 3.23Å; I570-R573 WeakPolarHBondContact O-CB 3.32Å; I570-R573 PolarHBondContact O-N 3.43Å; Y571-R573 VanDerWaalsContact C-N 3.3Å; Y571-R573 PolarHBondContact O-N 2.82Å; R573-Y575 VanDerWaalsContact C-N 3.28Å; R573-Y575 PolarHBondContact O-N 3.36Å; R573-D576 PolarHBondContact O-N 3.08Å; R573-A577 PolarHBondContact O-N 3.28Å; R573-E580 IonicContact CZ-OE1 3.98Å; R573-E580 IonicContact CZ-OE2 3.95Å; R573-E580 IonicContact NE-OE1 3.63Å; R573-E580 IonicContact NE-OE2 3.82Å; R573-E580 PolarHBondContact NE-OE2 3.14Å; R573-E580 IonicContact NH2-OE1 2.65Å; R573-E580 PolarHBondContact NH2-OE1 3.02Å; R573-E580 IonicContact NH2-OE2 2.93Å; R573-E580 PolarHBondContact NH2-OE2 2.96Å; R573-E580 VanDerWaalsContact NH2-OE2 3.16Å; R573-E860 IonicContact CZ-OE2 2.97Å; R573-E860 IonicContact NH1-OE2 2.65Å; R573-E860 PolarHBondContact NH1-OE2 2.64Å; R573-E860 IonicContact NH2-OE2 2.88Å |
| 574 | L | 92 | Very high | 82.6 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -34.3 | 174.9 | -69.1 | 175.2 | 0 | 0 | 0 | 112 | F507 L511 I570 Y571 P578 A581 P653 | F507-L574 HydrophobicContact CB-CD2 4.49Å; F507-L574 HydrophobicContact CD2-CD2 3.97Å; L511-L574 HydrophobicContact CD1-CD1 4.02Å; I570-L574 HydrophobicContact CG2-CD1 3.89Å; I570-L574 HydrophobicContact CG2-CG 4.13Å; I570-L574 WeakPolarHBondContact O-CG 3.5Å; I570-L574 PolarHBondContact O-N 3.05Å; Y571-L574 HydrophobicContact CD1-CD1 4.24Å; Y571-L574 PolarHBondContact O-N 3.48Å; L574-P578 WeakPolarHBondContact O-CA 3.4Å; L574-A581 HydrophobicContact CD2-CB 3.89Å; L574-P653 HydrophobicContact CB-CB 4.35Å |
| 575 | Y | 93.5 | Very high | 79.5 | Confident | 102 Ų | 102 | 47.3 Ų | 47.3 | 40% | 0.4 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.4 | -46.8 | 173.7 | 180 | -93.7 | 0 | 0 | 0 | 111.8 | Y571 L572 R573 P653 L654 R684 | Y571-Y575 WeakPolarHBondContact O-CB 3.44Å; Y571-Y575 PolarHBondContact O-N 3.39Å; L572-Y575 PolarHBondContact O-N 2.94Å; R573-Y575 VanDerWaalsContact C-N 3.28Å; R573-Y575 PolarHBondContact O-N 3.36Å; Y575-P653 HydrophobicContact CD2-CG 4.25Å; Y575-L654 HydrophobicContact CD1-CD1 4.41Å; Y575-L654 HydrophobicContact CD1-CD2 4.35Å; Y575-L654 HydrophobicContact CD2-CD1 3.66Å; Y575-L654 HydrophobicContact CD2-CD2 4.1Å; Y575-L654 HydrophobicContact CD2-CG 3.58Å; Y575-L654 HydrophobicContact CE1-CD1 4.26Å; Y575-L654 HydrophobicContact CE2-CD1 3.48Å; Y575-L654 VanDerWaalsContact CE2-CD1 3.48Å; Y575-L654 HydrophobicContact CE2-CG 3.96Å; Y575-L654 HydrophobicContact CG-CD1 4.11Å; Y575-L654 HydrophobicContact CG-CD2 3.89Å; Y575-L654 HydrophobicContact CG-CG 3.92Å; Y575-R684 HydrophobicContact CD1-CB 4.28Å; Y575-R684 HydrophobicContact CD1-CG 4.01Å; Y575-R684 HydrophobicContact CE1-CB 3.78Å; Y575-R684 HydrophobicContact CE1-CG 3.72Å |
| 576 | D | 88.8 | Confident | 76.4 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.7 | -30.5 | -177.1 | -63.4 | -29.9 | 0 | 0 | 0 | 112.9 | L572 R573 R684 V865 | L572-D576 PolarHBondContact O-N 3.17Å; R573-D576 PolarHBondContact O-N 3.08Å; D576-R684 IonicContact OD1-CZ 2.71Å; D576-R684 IonicContact OD1-NE 3.84Å; D576-R684 PolarHBondContact OD1-NE 2.92Å; D576-R684 IonicContact OD1-NH2 3.74Å; D576-R684 PolarHBondContact OD1-NH2 3.47Å; D576-R684 IonicContact OD2-CZ 2.67Å; D576-R684 IonicContact OD2-NE 3.24Å; D576-R684 PolarHBondContact OD2-NE 3.42Å; D576-R684 IonicContact OD2-NH2 3.42Å; D576-R684 PolarHBondContact OD2-NH2 2.93Å; D576-V865 HydrophobicContact CB-CG1 4.05Å; D576-V865 VanDerWaalsContact OD2-CG1 3.22Å; D576-V865 WeakPolarHBondContact OD2-CG1 3.31Å; D576-V865 WeakPolarHBondContact OD2-CG2 3.44Å |
| 577 | A | 87.1 | Confident | 73.3 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | trans | -135.2 | 75 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R573 H579 E580 | R573-A577 PolarHBondContact O-N 3.28Å; A577-H579 PolarHBondContact O-N 3.46Å; A577-H579 VanDerWaalsContact O-N 3.14Å; A577-E580 HydrophobicContact CB-CB 4.48Å; A577-E580 HydrophobicContact CB-CG 3.97Å; A577-E580 PolarHBondContact O-N 2.96Å; A577-E580 VanDerWaalsContact O-N 3.09Å | ||
| 578 | P | 81.8 | Confident | 70.1 | Confident | 79 Ų | 79 | 60.5 Ų | 60.5 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.6 | -175.2 | -23.8 | 33.5 | 0 | 0 | 0 | 113.8 | L574 E580 A581 | L574-P578 WeakPolarHBondContact O-CA 3.4Å; P578-E580 VanDerWaalsContact C-N 3.3Å; P578-E580 PolarHBondContact O-N 3.47Å; P578-A581 VanDerWaalsContact O-CB 3.25Å; P578-A581 WeakPolarHBondContact O-CB 3.15Å; P578-A581 PolarHBondContact O-N 3.39Å |
| 579 | H | 71.3 | Confident | 66.9 | Low | 157 Ų | 157 | 65.2 Ų | 65.2 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.9 | -179.6 | -55.8 | -60.5 | 0 | 0 | 0 | 113.2 | A577 A581 T582 | A577-H579 PolarHBondContact O-N 3.46Å; A577-H579 VanDerWaalsContact O-N 3.14Å; H579-A581 PolarHBondContact O-N 2.98Å; H579-T582 PolarHBondContact O-N 3.46Å; H579-T582 PolarHBondContact O-OG1 3.35Å |
| 580 | E | 65.7 | Low | 63.7 | Low | 68 Ų | 68 | 72.6 Ų | 72.6 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.5 | -21.9 | 177 | -69.8 | -171.9 | 162.9 | 0 | 0 | 112 | F507 R573 A577 P578 T582 A583 | F507-E580 HydrophobicContact CE2-CB 4.3Å; R573-E580 IonicContact CZ-OE1 3.98Å; R573-E580 IonicContact CZ-OE2 3.95Å; R573-E580 IonicContact NE-OE1 3.63Å; R573-E580 IonicContact NE-OE2 3.82Å; R573-E580 PolarHBondContact NE-OE2 3.14Å; R573-E580 IonicContact NH2-OE1 2.65Å; R573-E580 PolarHBondContact NH2-OE1 3.02Å; R573-E580 IonicContact NH2-OE2 2.93Å; R573-E580 PolarHBondContact NH2-OE2 2.96Å; R573-E580 VanDerWaalsContact NH2-OE2 3.16Å; A577-E580 HydrophobicContact CB-CB 4.48Å; A577-E580 HydrophobicContact CB-CG 3.97Å; A577-E580 PolarHBondContact O-N 2.96Å; A577-E580 VanDerWaalsContact O-N 3.09Å; P578-E580 VanDerWaalsContact C-N 3.3Å; P578-E580 PolarHBondContact O-N 3.47Å; E580-T582 PolarHBondContact O-N 2.87Å; E580-A583 PolarHBondContact O-N 3.37Å |
| 581 | A | 56.5 | Low | 60.3 | Low | 11 Ų | 11 | 79.9 Ų | 79.9 | 9% | 0.091 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.8 | -22.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L574 P578 H579 A648 | L574-A581 HydrophobicContact CD2-CB 3.89Å; P578-A581 VanDerWaalsContact O-CB 3.25Å; P578-A581 WeakPolarHBondContact O-CB 3.15Å; P578-A581 PolarHBondContact O-N 3.39Å; H579-A581 PolarHBondContact O-N 2.98Å; A581-A648 WeakPolarHBondContact CB-O 3.47Å |
| 582 | T | 48 | Very low | 57.1 | Low | 80 Ų | 80 | 81.9 Ų | 81.9 | 49% | 0.491 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -92.4 | -23.4 | -179.6 | 62 | 0 | 0 | 0 | 0 | 113.4 | H579 E580 D584 M585 | H579-T582 PolarHBondContact O-N 3.46Å; H579-T582 PolarHBondContact O-OG1 3.35Å; E580-T582 PolarHBondContact O-N 2.87Å; T582-D584 PolarHBondContact O-N 3.14Å; T582-M585 PolarHBondContact O-N 3.23Å; T582-M585 VanDerWaalsContact O-N 3.12Å |
| 583 | A | 46.2 | Very low | 54.1 | Low | 61 Ų | 61 | 85.9 Ų | 85.9 | 50% | 0.504 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -21.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E580 M585 D586 | E580-A583 PolarHBondContact O-N 3.37Å; A583-M585 PolarHBondContact O-N 3.09Å; A583-D586 PolarHBondContact O-N 3.33Å |
| 584 | D | 43.2 | Very low | 51.5 | Low | 61 Ų | 61 | 87.5 Ų | 87.5 | 33% | 0.326 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -54.5 | -16.7 | 171.9 | -94.4 | -15 | 0 | 0 | 0 | 113.5 | Q506 F507 T582 | Q506-D584 VanDerWaalsContact CA-OD1 3.32Å; Q506-D584 WeakPolarHBondContact CA-OD1 3.44Å; F507-D584 PolarHBondContact N-OD2 3.28Å; T582-D584 PolarHBondContact O-N 3.14Å |
| 585 | M | 34.9 | Very low | 49 | Very low | 147 Ų | 147 | 88.3 Ų | 88.3 | 72% | 0.724 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -103.9 | -31.3 | -178.4 | -67.5 | -65.3 | -68.5 | 0 | 0 | 115.1 | T582 A583 | T582-M585 PolarHBondContact O-N 3.23Å; T582-M585 VanDerWaalsContact O-N 3.12Å; A583-M585 PolarHBondContact O-N 3.09Å |
| 586 | D | 32.2 | Very low | 46.2 | Very low | 129 Ų | 129 | 92.6 Ų | 92.6 | 69% | 0.69 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -100.7 | -23 | -167.1 | -69.6 | -27.2 | 0 | 0 | 0 | 114.5 | A583 Y588 S589 | A583-D586 PolarHBondContact O-N 3.33Å; D586-Y588 PolarHBondContact O-N 2.95Å; D586-S589 PolarHBondContact O-N 3.31Å |
| 587 | G | 31.6 | Very low | 44 | Very low | 72 Ų | 72 | 97.2 Ų | 97.2 | 74% | 0.742 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -1.8 | -173 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 588 | Y | 30.7 | Very low | 41.7 | Very low | 139 Ų | 139 | 99.8 Ų | 99.8 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.2 | 10.8 | -176.2 | -122.7 | -68.5 | 0 | 0 | 0 | 114.7 | D586 | D586-Y588 PolarHBondContact O-N 2.95Š|
| 589 | S | 30.2 | Very low | 39.9 | Very low | 98 Ų | 98 | 101.7 Ų | 101.7 | 69% | 0.685 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -93.5 | -12.1 | 179.7 | -145.9 | 0 | 0 | 0 | 0 | 114.2 | D586 | D586-S589 PolarHBondContact O-N 3.31Š|
| 590 | Q | 26.5 | Very low | 39.1 | Very low | 177 Ų | 177 | 101.5 Ų | 101.5 | 83% | 0.827 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -124.5 | -17.8 | -170.1 | -74.2 | -169.2 | -15.7 | 0 | 0 | 119.4 | ||
| 591 | N | 25.4 | Very low | 38.4 | Very low | 154 Ų | 154 | 103.7 Ų | 103.7 | 82% | 0.824 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -125.8 | 89.6 | -176.6 | -76.3 | -17.8 | 0 | 0 | 0 | 114.8 | ||
| 592 | S | 28.4 | Very low | 37.9 | Very low | 41 Ų | 41 | 108.8 Ų | 108.8 | 29% | 0.287 | 58% | 0.577 | S | S | . | * | trans | 158.6 | 114.1 | 137.7 | 52.6 | 0 | 0 | 0 | 0 | 109 | T594 S595 | S592-T594 PolarHBondContact O-N 2.83Å; S592-S595 PolarHBondContact O-N 2.94Å; S592-S595 WeakPolarHBondContact OG-CB 3.3Å | ||
| 593 | A | 30.9 | Very low | 38.5 | Very low | 95 Ų | 95 | 114.3 Ų | 114.3 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58 | -19.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 594 | T | 36.6 | Very low | 39.4 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -81 | -26.8 | 174.9 | 20.8 | 0 | 0 | 0 | 0 | 114.4 | S592 L598 | S592-T594 PolarHBondContact O-N 2.83Å; T594-L598 PolarHBondContact O-N 3.07Å |
| 595 | S | 38.6 | Very low | 40.1 | Very low | 25 Ų | 25 | 121.5 Ų | 121.5 | 18% | 0.175 | 61% | 0.608 | C | S | . | * | H | α-helix | trans | -79.6 | -22.4 | -178.2 | -174.8 | 0 | 0 | 0 | 0 | 113.5 | S592 R599 | S592-S595 PolarHBondContact O-N 2.94Å; S592-S595 WeakPolarHBondContact OG-CB 3.3Å; S595-R599 WeakPolarHBondContact O-CB 3.46Å; S595-R599 VanDerWaalsContact O-CG 3.26Å; S595-R599 WeakPolarHBondContact O-CG 3.48Å; S595-R599 PolarHBondContact O-N 2.88Å |
| 596 | R | 35.2 | Very low | 41.2 | Very low | 192 Ų | 192 | 123.7 Ų | 123.7 | 73% | 0.725 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.4 | -34.6 | 179.7 | -140.8 | 175.4 | -169.1 | -176.6 | 4.6 | 112.3 | K600 | R596-K600 VanDerWaalsContact O-CB 3.3Å; R596-K600 WeakPolarHBondContact O-CB 3.42Å; R596-K600 WeakPolarHBondContact O-CG 3.42Å; R596-K600 PolarHBondContact O-N 2.69Å |
| 597 | E | 42.4 | Very low | 42.8 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 66% | 0.659 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.7 | -42.1 | 172.7 | -79.7 | -176.1 | 149.3 | 0 | 0 | 112 | K600 Q601 | E597-K600 CarbonylContact O-C 3.58Å; E597-K600 PolarHBondContact O-N 3.45Å; E597-Q601 VanDerWaalsContact O-CB 3.3Å; E597-Q601 WeakPolarHBondContact O-CB 3.4Å; E597-Q601 WeakPolarHBondContact O-CG 3.41Å; E597-Q601 PolarHBondContact O-N 3.23Å |
| 598 | L | 40 | Very low | 44.6 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 43% | 0.429 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.1 | -42.6 | 172.4 | -91.5 | 151.3 | 0 | 0 | 0 | 111.9 | T594 Q601 F602 | T594-L598 PolarHBondContact O-N 3.07Å; L598-Q601 CarbonylContact O-C 3.47Å; L598-Q601 PolarHBondContact O-N 3.03Å; L598-F602 HydrophobicContact CB-CD2 4.4Å; L598-F602 HydrophobicContact CB-CE2 4.47Å; L598-F602 HydrophobicContact CD2-CD2 4.26Å; L598-F602 HydrophobicContact CD2-CE2 3.67Å; L598-F602 HydrophobicContact CD2-CZ 4.46Å; L598-F602 WeakPolarHBondContact O-CB 3.27Å; L598-F602 WeakPolarHBondContact O-CD2 3.37Å; L598-F602 PolarHBondContact O-N 3.09Å |
| 599 | R | 44.2 | Very low | 46.2 | Very low | 119 Ų | 119 | 125 Ų | 125 | 45% | 0.449 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.5 | -37.7 | 173.4 | -77.7 | 174.5 | 164.4 | -164.5 | -6.8 | 112.4 | S595 Q601 R603 | S595-R599 WeakPolarHBondContact O-CB 3.46Å; S595-R599 VanDerWaalsContact O-CG 3.26Å; S595-R599 WeakPolarHBondContact O-CG 3.48Å; S595-R599 PolarHBondContact O-N 2.88Å; R599-Q601 VanDerWaalsContact C-N 3.33Å; R599-R603 VanDerWaalsContact O-CB 3.23Å; R599-R603 WeakPolarHBondContact O-CB 3.48Å; R599-R603 PolarHBondContact O-N 3.01Å |
| 600 | K | 54.6 | Low | 47.9 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 67% | 0.665 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.2 | -39.2 | 171 | -90.2 | -179.5 | 176.6 | 176.2 | 0 | 111.1 | R596 E597 K604 | R596-K600 VanDerWaalsContact O-CB 3.3Å; R596-K600 WeakPolarHBondContact O-CB 3.42Å; R596-K600 WeakPolarHBondContact O-CG 3.42Å; R596-K600 PolarHBondContact O-N 2.69Å; E597-K600 CarbonylContact O-C 3.58Å; E597-K600 PolarHBondContact O-N 3.45Å; K600-K604 VanDerWaalsContact O-CB 3.24Å; K600-K604 WeakPolarHBondContact O-CB 3.34Å; K600-K604 PolarHBondContact O-N 3.47Å |
| 601 | Q | 50.1 | Low | 50 | Low | 115 Ų | 115 | 121.3 Ų | 121.3 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.1 | -43.5 | 175.5 | -79.9 | -177.7 | -5.4 | 0 | 0 | 111.8 | E597 L598 R599 K604 Q605 | E597-Q601 VanDerWaalsContact O-CB 3.3Å; E597-Q601 WeakPolarHBondContact O-CB 3.4Å; E597-Q601 WeakPolarHBondContact O-CG 3.41Å; E597-Q601 PolarHBondContact O-N 3.23Å; L598-Q601 CarbonylContact O-C 3.47Å; L598-Q601 PolarHBondContact O-N 3.03Å; R599-Q601 VanDerWaalsContact C-N 3.33Å; Q601-K604 CarbonylContact O-C 3.21Å; Q601-K604 PolarHBondContact O-N 3.47Å; Q601-Q605 WeakPolarHBondContact O-CA 3.45Å; Q601-Q605 WeakPolarHBondContact O-CB 3.34Å; Q601-Q605 WeakPolarHBondContact O-CG 3.31Å; Q601-Q605 PolarHBondContact O-N 3.37Å |
| 602 | F | 46.9 | Very low | 52.1 | Low | 118 Ų | 118 | 116 Ų | 116 | 52% | 0.518 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.2 | -34.3 | 174.4 | -81.2 | -64.2 | 0 | 0 | 0 | 112.4 | L598 R606 | L598-F602 HydrophobicContact CB-CD2 4.4Å; L598-F602 HydrophobicContact CB-CE2 4.47Å; L598-F602 HydrophobicContact CD2-CD2 4.26Å; L598-F602 HydrophobicContact CD2-CE2 3.67Å; L598-F602 HydrophobicContact CD2-CZ 4.46Å; L598-F602 WeakPolarHBondContact O-CB 3.27Å; L598-F602 WeakPolarHBondContact O-CD2 3.37Å; L598-F602 PolarHBondContact O-N 3.09Å; F602-R606 VanDerWaalsContact O-CB 3.28Å; F602-R606 WeakPolarHBondContact O-CB 3.48Å; F602-R606 PolarHBondContact O-N 2.9Å |
| 603 | R | 59.6 | Low | 53.7 | Low | 195 Ų | 195 | 118.8 Ų | 118.8 | 74% | 0.736 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.1 | -35.4 | 172.5 | -134.7 | 175 | -176.2 | -171.2 | 1.4 | 111.2 | R599 K607 | R599-R603 VanDerWaalsContact O-CB 3.23Å; R599-R603 WeakPolarHBondContact O-CB 3.48Å; R599-R603 PolarHBondContact O-N 3.01Å; R603-K607 VanDerWaalsContact O-CB 3.28Å; R603-K607 WeakPolarHBondContact O-CB 3.28Å; R603-K607 WeakPolarHBondContact O-CG 3.38Å; R603-K607 PolarHBondContact O-N 2.87Å |
| 604 | K | 64.7 | Low | 55.3 | Low | 157 Ų | 157 | 119.7 Ų | 119.7 | 68% | 0.683 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68 | -39.1 | 170.1 | -109.6 | 179.5 | 171.9 | 177.4 | 0 | 111.4 | K600 Q601 K608 | K600-K604 VanDerWaalsContact O-CB 3.24Å; K600-K604 WeakPolarHBondContact O-CB 3.34Å; K600-K604 PolarHBondContact O-N 3.47Å; Q601-K604 CarbonylContact O-C 3.21Å; Q601-K604 PolarHBondContact O-N 3.47Å; K604-K608 WeakPolarHBondContact O-CB 3.24Å; K604-K608 PolarHBondContact O-N 2.74Å |
| 605 | Q | 59.6 | Low | 56.6 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.9 | -41.5 | 176.9 | -81.9 | -178.6 | -2.7 | 0 | 0 | 110.6 | Q601 K608 A609 | Q601-Q605 WeakPolarHBondContact O-CA 3.45Å; Q601-Q605 WeakPolarHBondContact O-CB 3.34Å; Q601-Q605 WeakPolarHBondContact O-CG 3.31Å; Q601-Q605 PolarHBondContact O-N 3.37Å; Q605-K608 CarbonylContact O-C 3.56Å; Q605-K608 PolarHBondContact O-N 3.08Å; Q605-A609 WeakPolarHBondContact O-CA 3.45Å; Q605-A609 WeakPolarHBondContact O-CB 3.3Å; Q605-A609 PolarHBondContact O-N 3.25Å |
| 606 | R | 57.4 | Low | 57.7 | Low | 192 Ų | 192 | 128.8 Ų | 128.8 | 73% | 0.725 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.4 | -43.3 | 169.3 | -90.1 | 180 | 84.4 | 175.7 | 6.1 | 111.5 | F602 A610 | F602-R606 VanDerWaalsContact O-CB 3.28Å; F602-R606 WeakPolarHBondContact O-CB 3.48Å; F602-R606 PolarHBondContact O-N 2.9Å; R606-A610 WeakPolarHBondContact O-CB 3.34Å; R606-A610 PolarHBondContact O-N 2.79Å |
| 607 | K | 65.7 | Low | 58.7 | Low | 154 Ų | 154 | 125.5 Ų | 125.5 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.3 | -37.8 | 175.4 | -81.8 | -174 | 172.8 | -174.8 | 0 | 112.4 | R603 K611 | R603-K607 VanDerWaalsContact O-CB 3.28Å; R603-K607 WeakPolarHBondContact O-CB 3.28Å; R603-K607 WeakPolarHBondContact O-CG 3.38Å; R603-K607 PolarHBondContact O-N 2.87Å; K607-K611 VanDerWaalsContact O-CB 3.24Å; K607-K611 WeakPolarHBondContact O-CB 3.39Å; K607-K611 PolarHBondContact O-N 3.37Å |
| 608 | K | 68.7 | Low | 59.3 | Low | 162 Ų | 162 | 126.3 Ų | 126.3 | 70% | 0.704 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.4 | -39.8 | 175.4 | -94.5 | -171.7 | 168.6 | -173 | 0 | 111.9 | K604 Q605 K611 A612 | K604-K608 WeakPolarHBondContact O-CB 3.24Å; K604-K608 PolarHBondContact O-N 2.74Å; Q605-K608 CarbonylContact O-C 3.56Å; Q605-K608 PolarHBondContact O-N 3.08Å; K608-K611 PolarHBondContact O-N 3.31Å; K608-A612 WeakPolarHBondContact O-CA 3.31Å; K608-A612 WeakPolarHBondContact O-CB 3.42Å; K608-A612 PolarHBondContact O-N 3.02Å |
| 609 | A | 64.8 | Low | 59.9 | Low | 51 Ų | 51 | 127.9 Ų | 127.9 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.8 | -48.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q605 K611 A612 E613 | Q605-A609 WeakPolarHBondContact O-CA 3.45Å; Q605-A609 WeakPolarHBondContact O-CB 3.3Å; Q605-A609 PolarHBondContact O-N 3.25Å; A609-K611 VanDerWaalsContact C-N 3.31Å; A609-K611 PolarHBondContact O-N 2.93Å; A609-A612 PolarHBondContact O-N 3.43Å; A609-E613 WeakPolarHBondContact O-CB 3.35Å; A609-E613 PolarHBondContact O-N 3.31Å |
| 610 | A | 66.3 | Low | 59.9 | Low | 54 Ų | 54 | 129 Ų | 129 | 45% | 0.446 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.1 | -35.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | R606 M614 | R606-A610 WeakPolarHBondContact O-CB 3.34Å; R606-A610 PolarHBondContact O-N 2.79Å; A610-M614 WeakPolarHBondContact O-CB 3.42Å; A610-M614 PolarHBondContact O-N 2.92Å |
| 611 | K | 70 | Confident | 59.1 | Low | 145 Ų | 145 | 129.5 Ų | 129.5 | 63% | 0.63 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.9 | -45.5 | 171.4 | -96.8 | -170.6 | 167.9 | -170.7 | 0 | 112.6 | K607 K608 A609 E613 M614 E615 | K607-K611 VanDerWaalsContact O-CB 3.24Å; K607-K611 WeakPolarHBondContact O-CB 3.39Å; K607-K611 PolarHBondContact O-N 3.37Å; K608-K611 PolarHBondContact O-N 3.31Å; A609-K611 VanDerWaalsContact C-N 3.31Å; A609-K611 PolarHBondContact O-N 2.93Å; K611-E613 VanDerWaalsContact C-N 3.27Å; K611-E613 PolarHBondContact O-N 3.4Å; K611-M614 PolarHBondContact O-N 3.49Å; K611-E615 VanDerWaalsContact O-CB 3.32Å; K611-E615 WeakPolarHBondContact O-CB 3.43Å; K611-E615 PolarHBondContact O-N 2.98Å |
| 612 | A | 69.4 | Low | 58.5 | Low | 43 Ų | 43 | 133.8 Ų | 133.8 | 36% | 0.355 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.7 | -30.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K608 A609 R616 | K608-A612 WeakPolarHBondContact O-CA 3.31Å; K608-A612 WeakPolarHBondContact O-CB 3.42Å; K608-A612 PolarHBondContact O-N 3.02Å; A609-A612 PolarHBondContact O-N 3.43Å; A612-R616 WeakPolarHBondContact O-CB 3.35Å; A612-R616 VanDerWaalsContact O-CG 3.23Å; A612-R616 WeakPolarHBondContact O-CG 3.48Å; A612-R616 PolarHBondContact O-N 2.76Å |
| 613 | E | 62.6 | Low | 58.3 | Low | 98 Ų | 98 | 134.2 Ų | 134.2 | 46% | 0.458 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -78.4 | -40.2 | 175.7 | -165.8 | 144.8 | -149.2 | 0 | 0 | 111 | A609 K611 E615 R616 Q617 | A609-E613 WeakPolarHBondContact O-CB 3.35Å; A609-E613 PolarHBondContact O-N 3.31Å; K611-E613 VanDerWaalsContact C-N 3.27Å; K611-E613 PolarHBondContact O-N 3.4Å; E613-E615 VanDerWaalsContact C-N 3.35Å; E613-R616 PolarHBondContact O-N 3.26Å; E613-Q617 VanDerWaalsContact O-CB 3.25Å; E613-Q617 WeakPolarHBondContact O-CB 3.22Å; E613-Q617 WeakPolarHBondContact O-CG 3.41Å; E613-Q617 PolarHBondContact O-N 2.95Å |
| 614 | M | 63.2 | Low | 57.3 | Low | 114 Ų | 114 | 133.3 Ų | 133.3 | 56% | 0.562 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63 | -37.7 | 166.6 | -90.3 | -154.7 | -79.7 | 0 | 0 | 112.8 | A610 K611 K618 | A610-M614 WeakPolarHBondContact O-CB 3.42Å; A610-M614 PolarHBondContact O-N 2.92Å; K611-M614 PolarHBondContact O-N 3.49Å; M614-K618 WeakPolarHBondContact O-CB 3.16Å; M614-K618 VanDerWaalsContact O-CG 3.3Å; M614-K618 WeakPolarHBondContact O-CG 3.48Å; M614-K618 PolarHBondContact O-N 3.38Å |
| 615 | E | 63.9 | Low | 56 | Low | 128 Ų | 128 | 129.5 Ų | 129.5 | 60% | 0.598 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.4 | -40.9 | 176.5 | -86.5 | 178.6 | 158.6 | 0 | 0 | 111.9 | K611 E613 K618 T619 | K611-E615 VanDerWaalsContact O-CB 3.32Å; K611-E615 WeakPolarHBondContact O-CB 3.43Å; K611-E615 PolarHBondContact O-N 2.98Å; E613-E615 VanDerWaalsContact C-N 3.35Å; E615-K618 CarbonylContact O-C 3.46Å; E615-K618 PolarHBondContact O-N 2.96Å; E615-T619 PolarHBondContact O-N 3.33Å; E615-T619 PolarHBondContact O-OG1 3.45Å |
| 616 | R | 61.6 | Low | 54.9 | Low | 175 Ų | 175 | 127.1 Ų | 127.1 | 66% | 0.66 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.3 | -40.2 | 172.2 | -81.8 | 177.9 | 173 | -171.5 | -2.1 | 111.8 | A612 E613 K618 T619 Q620 | A612-R616 WeakPolarHBondContact O-CB 3.35Å; A612-R616 VanDerWaalsContact O-CG 3.23Å; A612-R616 WeakPolarHBondContact O-CG 3.48Å; A612-R616 PolarHBondContact O-N 2.76Å; E613-R616 PolarHBondContact O-N 3.26Å; R616-K618 VanDerWaalsContact C-N 3.28Å; R616-K618 PolarHBondContact O-N 3.26Å; R616-T619 WeakPolarHBondContact CA-OG1 3.4Å; R616-T619 PolarHBondContact O-N 3.35Å; R616-Q620 VanDerWaalsContact O-CB 3.31Å; R616-Q620 WeakPolarHBondContact O-CB 3.33Å; R616-Q620 WeakPolarHBondContact O-CG 3.41Å; R616-Q620 PolarHBondContact O-N 3.02Å |
| 617 | Q | 57.5 | Low | 53.7 | Low | 122 Ų | 122 | 126.8 Ų | 126.8 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.5 | -29 | 173.1 | -75.2 | 179.3 | 14.5 | 0 | 0 | 112.5 | E613 | E613-Q617 VanDerWaalsContact O-CB 3.25Å; E613-Q617 WeakPolarHBondContact O-CB 3.22Å; E613-Q617 WeakPolarHBondContact O-CG 3.41Å; E613-Q617 PolarHBondContact O-N 2.95Å |
| 618 | K | 54.9 | Low | 52.3 | Low | 158 Ų | 158 | 125.3 Ų | 125.3 | 69% | 0.687 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.6 | -32.9 | 171.7 | -78.9 | 178.9 | 177.8 | -174.5 | 0 | 113.3 | M614 E615 R616 | M614-K618 WeakPolarHBondContact O-CB 3.16Å; M614-K618 VanDerWaalsContact O-CG 3.3Å; M614-K618 WeakPolarHBondContact O-CG 3.48Å; M614-K618 PolarHBondContact O-N 3.38Å; E615-K618 CarbonylContact O-C 3.46Å; E615-K618 PolarHBondContact O-N 2.96Å; R616-K618 VanDerWaalsContact C-N 3.28Å; R616-K618 PolarHBondContact O-N 3.26Å |
| 619 | T | 52.9 | Low | 50.5 | Low | 116 Ų | 116 | 123.7 Ų | 123.7 | 71% | 0.712 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -88.6 | -18.8 | -179.9 | 30 | 0 | 0 | 0 | 0 | 114.1 | E615 R616 | E615-T619 PolarHBondContact O-N 3.33Å; E615-T619 PolarHBondContact O-OG1 3.45Å; R616-T619 WeakPolarHBondContact CA-OG1 3.4Å; R616-T619 PolarHBondContact O-N 3.35Å |
| 620 | Q | 43.3 | Very low | 49 | Very low | 143 Ų | 143 | 127 Ų | 127 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | trans | -97 | 19.1 | 176.6 | -69.3 | -174 | 1.4 | 0 | 0 | 114.3 | R616 R622 | R616-Q620 VanDerWaalsContact O-CB 3.31Å; R616-Q620 WeakPolarHBondContact O-CB 3.33Å; R616-Q620 WeakPolarHBondContact O-CG 3.41Å; R616-Q620 PolarHBondContact O-N 3.02Å; Q620-R622 PolarHBondContact O-N 2.91Å | ||
| 621 | Q | 38.3 | Very low | 47.3 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 76% | 0.757 | 64% | 0.638 | S | S | * | * | trans | -70.4 | 70.4 | 161.9 | -69.1 | -170.1 | 11.6 | 0 | 0 | 110.1 | ||||
| 622 | R | 36.7 | Very low | 45.4 | Very low | 205 Ų | 205 | 128 Ų | 128 | 77% | 0.774 | 63% | 0.634 | S | S | * | * | trans | -76.6 | 141.9 | 154.7 | -86.2 | -177.6 | 167.9 | -174.8 | -2.6 | 107.9 | Q620 Q624 T625 | Q620-R622 PolarHBondContact O-N 2.91Å; R622-Q624 PolarHBondContact O-N 3.39Å; R622-T625 PolarHBondContact O-OG1 3.22Å | ||
| 623 | P | 42.4 | Very low | 43.6 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 83% | 0.831 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 5.6 | -169.8 | -17.2 | 30.7 | 0 | 0 | 0 | 116.4 | ||
| 624 | Q | 40.4 | Very low | 42.3 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -15.9 | -172.9 | -78.9 | 178.9 | -14.3 | 0 | 0 | 114.9 | R622 | R622-Q624 PolarHBondContact O-N 3.39Š|
| 625 | T | 35.8 | Very low | 40.9 | Very low | 78 Ų | 78 | 135 Ų | 135 | 48% | 0.479 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | -7.6 | 179.2 | 32.9 | 0 | 0 | 0 | 0 | 114.7 | R622 K627 L628 K629 | R622-T625 PolarHBondContact O-OG1 3.22Å; T625-K627 VanDerWaalsContact C-N 3.25Å; T625-K627 PolarHBondContact O-N 2.97Å; T625-L628 PolarHBondContact O-N 3.43Å; T625-K629 PolarHBondContact O-N 2.94Å |
| 626 | A | 36.2 | Very low | 39.6 | Very low | 66 Ų | 66 | 137 Ų | 137 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -69 | -20.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 627 | K | 34 | Very low | 38.6 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -82.8 | -30.2 | 176.7 | -83.9 | -175.8 | 174.3 | -178.6 | 0 | 113.9 | T625 | T625-K627 VanDerWaalsContact C-N 3.25Å; T625-K627 PolarHBondContact O-N 2.97Å |
| 628 | L | 34.6 | Very low | 38.3 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -83.7 | -28.2 | 177.1 | -77.1 | 160 | 0 | 0 | 0 | 112.6 | T625 Q630 E631 A632 | T625-L628 PolarHBondContact O-N 3.43Å; L628-Q630 VanDerWaalsContact C-N 3.33Å; L628-Q630 PolarHBondContact O-N 3.44Å; L628-E631 PolarHBondContact O-N 2.97Å; L628-A632 PolarHBondContact O-N 2.93Å |
| 629 | K | 32.1 | Very low | 38.5 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65.5 | -32 | 176.1 | -81.7 | -171.1 | 171.6 | -167.7 | 0 | 113.7 | T625 E631 A632 E633 | T625-K629 PolarHBondContact O-N 2.94Å; K629-E631 VanDerWaalsContact C-N 3.32Å; K629-E631 PolarHBondContact O-N 3.31Å; K629-A632 PolarHBondContact O-N 3.16Å; K629-E633 VanDerWaalsContact O-CB 3.31Å; K629-E633 WeakPolarHBondContact O-CB 3.44Å; K629-E633 WeakPolarHBondContact O-CG 3.35Å; K629-E633 PolarHBondContact O-N 3.37Å |
| 630 | Q | 32 | Very low | 39 | Very low | 121 Ų | 121 | 131 Ų | 131 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.6 | -19.3 | 178.8 | -82.1 | 179.9 | 11.1 | 0 | 0 | 114.2 | L628 | L628-Q630 VanDerWaalsContact C-N 3.33Å; L628-Q630 PolarHBondContact O-N 3.44Å |
| 631 | E | 30.9 | Very low | 40.7 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 73% | 0.729 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -89.6 | -27.8 | 172.8 | -72.3 | 179.4 | 166.4 | 0 | 0 | 111.7 | L628 K629 | L628-E631 PolarHBondContact O-N 2.97Å; K629-E631 VanDerWaalsContact C-N 3.32Å; K629-E631 PolarHBondContact O-N 3.31Å |
| 632 | A | 31.2 | Very low | 43 | Very low | 65 Ų | 65 | 124.9 Ų | 124.9 | 54% | 0.537 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -82.8 | -31.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L628 K629 V634 E635 | L628-A632 PolarHBondContact O-N 2.93Å; K629-A632 PolarHBondContact O-N 3.16Å; A632-V634 PolarHBondContact O-N 2.89Å; A632-E635 PolarHBondContact O-N 3.36Å |
| 633 | E | 31.4 | Very low | 45.6 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -14.3 | 179.8 | -84.4 | 174.4 | 177.7 | 0 | 0 | 113.7 | K629 | K629-E633 VanDerWaalsContact O-CB 3.31Å; K629-E633 WeakPolarHBondContact O-CB 3.44Å; K629-E633 WeakPolarHBondContact O-CG 3.35Å; K629-E633 PolarHBondContact O-N 3.37Å |
| 634 | V | 34.6 | Very low | 47.9 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 65% | 0.648 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -17.8 | 178.3 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | A632 | A632-V634 PolarHBondContact O-N 2.89Š|
| 635 | E | 33.7 | Very low | 50.3 | Low | 167 Ų | 167 | 108.5 Ų | 108.5 | 78% | 0.78 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -105.4 | 3.2 | -179.7 | -94.7 | -175.1 | -178.6 | 0 | 0 | 114.6 | A632 S637 | A632-E635 PolarHBondContact O-N 3.36Å; E635-S637 PolarHBondContact O-N 3.1Å |
| 636 | E | 37 | Very low | 53 | Low | 168 Ų | 168 | 107.5 Ų | 107.5 | 79% | 0.785 | 57% | 0.573 | S | S | * | * | trans | -71.7 | 59.5 | 163.9 | -133.3 | 172.2 | -155.3 | 0 | 0 | 108.9 | H638 | E636-H638 PolarHBondContact O-N 3.39Å; E636-H638 VanDerWaalsContact O-N 3.12Å | ||
| 637 | S | 40.6 | Very low | 55.6 | Low | 79 Ų | 79 | 105.6 Ų | 105.6 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | trans | -49.3 | 120.9 | 163.3 | 59.9 | 0 | 0 | 0 | 0 | 106.2 | E635 R639 | E635-S637 PolarHBondContact O-N 3.1Å; S637-R639 PolarHBondContact O-N 3.44Å | ||
| 638 | H | 51.2 | Low | 58.3 | Low | 184 Ų | 184 | 97 Ų | 97 | 85% | 0.852 | 52% | 0.516 | S | S | * | . | trans | -53.5 | 80.1 | 168.6 | -84.2 | -78.2 | 0 | 0 | 0 | 109 | E636 | E636-H638 PolarHBondContact O-N 3.39Å; E636-H638 VanDerWaalsContact O-N 3.12Å | ||
| 639 | R | 58.6 | Low | 61 | Low | 106 Ų | 106 | 97.3 Ų | 97.3 | 40% | 0.4 | 51% | 0.513 | S | S | . | . | trans | -63.3 | 125.7 | 169.8 | -75.3 | -175.9 | -179.4 | 177 | 6.6 | 105.3 | D487 S637 V641 | D487-R639 IonicContact OD1-CZ 3.36Å; D487-R639 IonicContact OD1-NH1 3.73Å; D487-R639 PolarHBondContact OD1-NH1 3.22Å; D487-R639 IonicContact OD1-NH2 3.98Å; S637-R639 PolarHBondContact O-N 3.44Å; R639-V641 PolarHBondContact O-N 3.17Å | ||
| 640 | P | 64.7 | Low | 63.8 | Low | 77 Ų | 77 | 93 Ų | 93 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | trans | -55.4 | 119 | 178.9 | 15.8 | -25.1 | 0 | 0 | 0 | 108.5 | R519 F642 | R519-P640 PolarHBondContact NH1-O 3.28Å; P640-F642 PolarHBondContact O-N 2.92Å | ||
| 641 | V | 77.3 | Confident | 66.7 | Low | 135 Ų | 135 | 96 Ų | 96 | 82% | 0.818 | 51% | 0.511 | S | S | * | . | trans | -84.5 | 112 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 106.3 | R639 D643 | R639-V641 PolarHBondContact O-N 3.17Å; V641-D643 PolarHBondContact O-N 3.33Å | ||
| 642 | F | 87.6 | Confident | 69.7 | Low | 42 Ų | 42 | 95.1 Ų | 95.1 | 18% | 0.184 | 51% | 0.505 | C | S | . | . | trans | -75.5 | 118.8 | 176 | -58.9 | -68 | 0 | 0 | 0 | 109.5 | K512 H515 E516 R519 P640 P644 L647 | K512-F642 HydrophobicContact CB-CB 4.45Å; K512-F642 HydrophobicContact CG-CB 4.14Å; H515-F642 HydrophobicContact CB-CD1 3.86Å; H515-F642 HydrophobicContact CB-CD2 3.97Å; H515-F642 HydrophobicContact CB-CE1 3.79Å; H515-F642 HydrophobicContact CB-CE2 3.89Å; H515-F642 HydrophobicContact CB-CG 3.96Å; H515-F642 HydrophobicContact CB-CZ 3.8Å; E516-F642 HydrophobicContact CG-CD2 4.02Å; E516-F642 HydrophobicContact CG-CE2 4.31Å; R519-F642 HydrophobicContact CB-CE2 4.39Å; R519-F642 HydrophobicContact CB-CZ 4.43Å; P640-F642 PolarHBondContact O-N 2.92Å; F642-P644 WeakPolarHBondContact O-CD 3.48Å; F642-L647 HydrophobicContact CB-CD1 4.04Å | ||
| 643 | D | 90.2 | Very high | 72.7 | Confident | 89 Ų | 89 | 92.6 Ų | 92.6 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | trans | -82.7 | 114.6 | 172.7 | 179.1 | 7 | 0 | 0 | 0 | 109.9 | V641 A645 A646 L647 | V641-D643 PolarHBondContact O-N 3.33Å; D643-A645 PolarHBondContact O-N 3.2Å; D643-A645 PolarHBondContact OD1-N 3.47Å; D643-A646 HydrophobicContact CB-CB 3.94Å; D643-A646 PolarHBondContact O-N 3.27Å; D643-L647 WeakPolarHBondContact O-CG 3.4Å; D643-L647 PolarHBondContact O-N 3.17Å; D643-L647 VanDerWaalsContact O-N 3.1Å | ||
| 644 | P | 91.5 | Very high | 75.7 | Confident | 25 Ų | 25 | 87.2 Ų | 87.2 | 16% | 0.162 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -52.8 | -39.8 | 176.2 | -27.3 | 36.4 | 0 | 0 | 0 | 113.4 | G508 E509 K512 F642 L647 A648 | G508-P644 WeakPolarHBondContact CA-O 3.36Å; E509-P644 HydrophobicContact CG-CB 4.41Å; E509-P644 WeakPolarHBondContact OE1-CG 3.48Å; K512-P644 HydrophobicContact CB-CG 4.34Å; K512-P644 HydrophobicContact CD-CG 3.75Å; F642-P644 WeakPolarHBondContact O-CD 3.48Å; P644-L647 PolarHBondContact O-N 2.91Å; P644-A648 PolarHBondContact O-N 3.29Å |
| 645 | A | 90.3 | Very high | 78.7 | Confident | 49 Ų | 49 | 86.2 Ų | 86.2 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.8 | -40.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D643 K649 | D643-A645 PolarHBondContact O-N 3.2Å; D643-A645 PolarHBondContact OD1-N 3.47Å; A645-K649 WeakPolarHBondContact O-CB 3.49Å; A645-K649 WeakPolarHBondContact O-CG 3.43Å; A645-K649 PolarHBondContact O-N 3.41Å; A645-K649 VanDerWaalsContact O-N 3.17Å |
| 646 | A | 92 | Very high | 81.6 | Confident | 58 Ų | 58 | 80.1 Ų | 80.1 | 48% | 0.479 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D643 K649 T650 | D643-A646 HydrophobicContact CB-CB 3.94Å; D643-A646 PolarHBondContact O-N 3.27Å; A646-K649 CarbonylContact O-C 3.59Å; A646-K649 PolarHBondContact O-N 3.31Å; A646-T650 PolarHBondContact O-N 3.24Å |
| 647 | L | 92.5 | Very high | 84.5 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 13% | 0.131 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 178.6 | -72.1 | 173.7 | 0 | 0 | 0 | 112.8 | L511 K512 F642 D643 P644 K649 | L511-L647 HydrophobicContact CB-CB 4.09Å; L511-L647 HydrophobicContact CB-CD1 4.09Å; L511-L647 HydrophobicContact CD1-CB 4.14Å; K512-L647 HydrophobicContact CB-CD1 4.31Å; F642-L647 HydrophobicContact CB-CD1 4.04Å; D643-L647 WeakPolarHBondContact O-CG 3.4Å; D643-L647 PolarHBondContact O-N 3.17Å; D643-L647 VanDerWaalsContact O-N 3.1Å; P644-L647 PolarHBondContact O-N 2.91Å; L647-K649 VanDerWaalsContact C-N 3.31Å |
| 648 | A | 90.8 | Very high | 87.2 | Confident | 5 Ų | 5 | 69 Ų | 69 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.4 | -29.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A581 P644 | A581-A648 WeakPolarHBondContact CB-O 3.47Å; P644-A648 PolarHBondContact O-N 3.29Å |
| 649 | K | 91 | Very high | 89.3 | Confident | 131 Ų | 131 | 64.9 Ų | 64.9 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 22.8 | -178.4 | -64.7 | -178.6 | 179.8 | -177.8 | 0 | 113.6 | A645 A646 L647 E651 | A645-K649 WeakPolarHBondContact O-CB 3.49Å; A645-K649 WeakPolarHBondContact O-CG 3.43Å; A645-K649 PolarHBondContact O-N 3.41Å; A645-K649 VanDerWaalsContact O-N 3.17Å; A646-K649 CarbonylContact O-C 3.59Å; A646-K649 PolarHBondContact O-N 3.31Å; L647-K649 VanDerWaalsContact C-N 3.31Å; K649-E651 PolarHBondContact O-N 3.44Å |
| 650 | T | 91.1 | Very high | 91.2 | Very high | 36 Ų | 36 | 59.9 Ų | 59.9 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | trans | -58.2 | 135.8 | 177.1 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | Y571 A646 K652 P653 D656 | Y571-T650 HydrophobicContact CD1-CG2 4.17Å; Y571-T650 HydrophobicContact CE1-CG2 3.9Å; A646-T650 PolarHBondContact O-N 3.24Å; T650-K652 VanDerWaalsContact C-N 3.27Å; T650-K652 PolarHBondContact OG1-N 3.22Å; T650-P653 HydrophobicContact CG2-CB 3.89Å; T650-D656 WeakPolarHBondContact CB-OD2 3.46Å; T650-D656 WeakPolarHBondContact CG2-OD2 3.34Å; T650-D656 PolarHBondContact OG1-OD2 3.26Å | ||
| 651 | E | 91.2 | Very high | 92.8 | Very high | 185 Ų | 185 | 56.2 Ų | 56.2 | 86% | 0.864 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -77.5 | -16.9 | 174.9 | -63 | -178.6 | 174 | 0 | 0 | 112.1 | K649 P653 | K649-E651 PolarHBondContact O-N 3.44Å; E651-P653 WeakPolarHBondContact O-CD 3.37Å |
| 652 | K | 94 | Very high | 93.7 | Very high | 137 Ų | 137 | 52.8 Ų | 52.8 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | trans | -128.3 | 56.6 | -173.8 | -60.4 | -178.2 | -176.4 | 174.8 | 0 | 112.4 | T650 L654 E655 D656 | T650-K652 VanDerWaalsContact C-N 3.27Å; T650-K652 PolarHBondContact OG1-N 3.22Å; K652-L654 PolarHBondContact O-N 3.3Å; K652-L654 VanDerWaalsContact O-N 3.12Å; K652-E655 HydrophobicContact CB-CB 4.11Å; K652-E655 HydrophobicContact CB-CG 4.14Å; K652-E655 PolarHBondContact O-N 2.95Å; K652-D656 PolarHBondContact O-N 3.22Å; K652-D656 VanDerWaalsContact O-N 3.12Å | ||
| 653 | P | 94.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 8% | 0.078 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.6 | -34.1 | -175.2 | 19.7 | -29.8 | 0 | 0 | 0 | 113.3 | Y571 L574 Y575 T650 E651 D656 A657 | Y571-P653 WeakPolarHBondContact CB-O 3.41Å; Y571-P653 HydrophobicContact CD1-CB 3.93Å; L574-P653 HydrophobicContact CB-CB 4.35Å; Y575-P653 HydrophobicContact CD2-CG 4.25Å; T650-P653 HydrophobicContact CG2-CB 3.89Å; E651-P653 WeakPolarHBondContact O-CD 3.37Å; P653-D656 PolarHBondContact O-N 2.91Å; P653-A657 WeakPolarHBondContact O-CB 3.5Å; P653-A657 PolarHBondContact O-N 3.14Å |
| 654 | L | 95.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70 | -31.7 | 177.7 | -60.6 | -177.2 | 0 | 0 | 0 | 113.3 | L572 Y575 K652 L658 R684 R685 | L572-L654 HydrophobicContact CD2-CD2 4.23Å; Y575-L654 HydrophobicContact CD1-CD1 4.41Å; Y575-L654 HydrophobicContact CD1-CD2 4.35Å; Y575-L654 HydrophobicContact CD2-CD1 3.66Å; Y575-L654 HydrophobicContact CD2-CD2 4.1Å; Y575-L654 HydrophobicContact CD2-CG 3.58Å; Y575-L654 HydrophobicContact CE1-CD1 4.26Å; Y575-L654 HydrophobicContact CE2-CD1 3.48Å; Y575-L654 VanDerWaalsContact CE2-CD1 3.48Å; Y575-L654 HydrophobicContact CE2-CG 3.96Å; Y575-L654 HydrophobicContact CG-CD1 4.11Å; Y575-L654 HydrophobicContact CG-CD2 3.89Å; Y575-L654 HydrophobicContact CG-CG 3.92Å; K652-L654 PolarHBondContact O-N 3.3Å; K652-L654 VanDerWaalsContact O-N 3.12Å; L654-L658 WeakPolarHBondContact O-CG 3.24Å; L654-L658 PolarHBondContact O-N 3.4Å; L654-R684 HydrophobicContact CD1-CB 3.71Å; L654-R684 HydrophobicContact CD2-CB 4.29Å; L654-R685 HydrophobicContact CB-CG 4.12Å; L654-R685 HydrophobicContact CD1-CG 3.7Å |
| 655 | E | 95.9 | Very high | 94.6 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.2 | -40.9 | 174.7 | -62.4 | -61.1 | 149.5 | 0 | 0 | 110.2 | K652 A657 L658 R685 | K652-E655 HydrophobicContact CB-CB 4.11Å; K652-E655 HydrophobicContact CB-CG 4.14Å; K652-E655 PolarHBondContact O-N 2.95Å; E655-A657 VanDerWaalsContact C-N 3.26Å; E655-A657 PolarHBondContact O-N 3.03Å; E655-L658 VanDerWaalsContact O-CB 3.32Å; E655-L658 WeakPolarHBondContact O-CB 3.42Å; E655-L658 PolarHBondContact O-N 2.86Å; E655-L658 WeakPolarHBondContact OE2-CD1 3.25Å; E655-R685 IonicContact OE1-CZ 2.6Å; E655-R685 IonicContact OE1-NE 3.33Å; E655-R685 PolarHBondContact OE1-NE 2.76Å; E655-R685 IonicContact OE1-NH2 3.39Å; E655-R685 PolarHBondContact OE1-NH2 3.36Å; E655-R685 IonicContact OE2-NH2 3.4Å; E655-R685 PolarHBondContact OE2-NH2 3.47Å |
| 656 | D | 96 | Very high | 94.8 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -33.4 | 175.7 | -64 | -21.9 | 0 | 0 | 0 | 111.9 | Y571 T650 K652 P653 L658 L659 | Y571-D656 HydrophobicContact CD1-CB 4.1Å; Y571-D656 HydrophobicContact CD2-CB 4.3Å; Y571-D656 HydrophobicContact CE1-CB 3.62Å; Y571-D656 HydrophobicContact CE2-CB 3.83Å; Y571-D656 HydrophobicContact CG-CB 4.42Å; Y571-D656 VanDerWaalsContact CZ-CB 3.46Å; T650-D656 WeakPolarHBondContact CB-OD2 3.46Å; T650-D656 WeakPolarHBondContact CG2-OD2 3.34Å; T650-D656 PolarHBondContact OG1-OD2 3.26Å; K652-D656 PolarHBondContact O-N 3.22Å; K652-D656 VanDerWaalsContact O-N 3.12Å; P653-D656 PolarHBondContact O-N 2.91Å; D656-L658 PolarHBondContact O-N 2.95Å; D656-L659 WeakPolarHBondContact O-CB 3.38Å; D656-L659 PolarHBondContact O-N 3.42Å |
| 657 | A | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -30.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y571 P653 E655 L659 F660 L661 V681 | Y571-A657 HydrophobicContact CD2-CB 4.16Å; Y571-A657 HydrophobicContact CG-CB 4.33Å; P653-A657 WeakPolarHBondContact O-CB 3.5Å; P653-A657 PolarHBondContact O-N 3.14Å; E655-A657 VanDerWaalsContact C-N 3.26Å; E655-A657 PolarHBondContact O-N 3.03Å; A657-L659 VanDerWaalsContact C-N 3.31Å; A657-L659 PolarHBondContact O-N 2.85Å; A657-F660 PolarHBondContact O-N 3.5Å; A657-L661 WeakPolarHBondContact O-CB 3.38Å; A657-L661 PolarHBondContact O-N 3.15Å; A657-V681 HydrophobicContact CB-CG2 4.19Å |
| 658 | L | 97.3 | Very high | 95 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.8 | -28.6 | 179.4 | -62.3 | 169.5 | 0 | 0 | 0 | 112.7 | L654 E655 D656 F660 L661 N662 V681 Y682 | L654-L658 WeakPolarHBondContact O-CG 3.24Å; L654-L658 PolarHBondContact O-N 3.4Å; E655-L658 VanDerWaalsContact O-CB 3.32Å; E655-L658 WeakPolarHBondContact O-CB 3.42Å; E655-L658 PolarHBondContact O-N 2.86Å; E655-L658 WeakPolarHBondContact OE2-CD1 3.25Å; D656-L658 PolarHBondContact O-N 2.95Å; L658-F660 PolarHBondContact O-N 3.05Å; L658-L661 HydrophobicContact CD2-CD2 4.1Å; L658-L661 PolarHBondContact O-N 3.29Å; L658-N662 VanDerWaalsContact O-CB 3.26Å; L658-N662 WeakPolarHBondContact O-CB 3.22Å; L658-N662 PolarHBondContact O-N 2.72Å; L658-N662 PolarHBondContact O-ND2 3.39Å; L658-V681 HydrophobicContact CD2-CG1 4.01Å; L658-Y682 HydrophobicContact CD2-CE1 3.86Å |
| 659 | L | 96.1 | Very high | 95 | Very high | 98 Ų | 98 | 55 Ų | 55 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.8 | -38 | 174.3 | -61.7 | 174 | 0 | 0 | 0 | 110.9 | D656 A657 P663 | D656-L659 WeakPolarHBondContact O-CB 3.38Å; D656-L659 PolarHBondContact O-N 3.42Å; A657-L659 VanDerWaalsContact C-N 3.31Å; A657-L659 PolarHBondContact O-N 2.85Å; L659-P663 VanDerWaalsContact O-CD 3.24Å; L659-P663 WeakPolarHBondContact O-CD 3.42Å |
| 660 | F | 98 | Very high | 95.1 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -87.7 | -31.8 | 177.4 | -67.9 | -81.5 | 0 | 0 | 0 | 113.5 | C514 H515 D518 A564 A567 I568 Y571 A657 L658 | C514-F660 HydrophobicContact CB-CE1 4.24Å; C514-F660 HydrophobicContact CB-CZ 4.16Å; H515-F660 AromaticContact CE1-CE2 3.68Å; H515-F660 AromaticContact CE1-CZ 3.86Å; H515-F660 AromaticContact ND1-CZ 3.91Å; H515-F660 AromaticContact NE2-CE2 3.75Å; H515-F660 AromaticContact NE2-CZ 3.98Å; D518-F660 HydrophobicContact CB-CE1 4.05Å; A564-F660 HydrophobicContact CB-CB 3.84Å; A564-F660 HydrophobicContact CB-CD1 4.1Å; A564-F660 HydrophobicContact CB-CG 4.42Å; A567-F660 HydrophobicContact CB-CD1 4.08Å; A567-F660 HydrophobicContact CB-CD2 3.65Å; A567-F660 HydrophobicContact CB-CE1 4.14Å; A567-F660 HydrophobicContact CB-CE2 3.72Å; A567-F660 HydrophobicContact CB-CG 3.84Å; A567-F660 HydrophobicContact CB-CZ 3.96Å; I568-F660 HydrophobicContact CD1-CB 4.19Å; I568-F660 HydrophobicContact CG1-CB 3.95Å; Y571-F660 HydrophobicContact CE2-CD2 4.19Å; Y571-F660 HydrophobicContact CE2-CE2 4.05Å; A657-F660 PolarHBondContact O-N 3.5Å; L658-F660 PolarHBondContact O-N 3.05Å |
| 661 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.7 | -40.3 | -177.3 | -178.8 | 65.1 | 0 | 0 | 0 | 112.8 | I568 A657 L658 L664 I665 V681 Y682 | I568-L661 HydrophobicContact CD1-CB 4Å; I568-L661 HydrophobicContact CD1-CD1 4.21Å; A657-L661 WeakPolarHBondContact O-CB 3.38Å; A657-L661 PolarHBondContact O-N 3.15Å; L658-L661 HydrophobicContact CD2-CD2 4.1Å; L658-L661 PolarHBondContact O-N 3.29Å; L661-L664 WeakPolarHBondContact O-CB 3.4Å; L661-L664 PolarHBondContact O-N 2.87Å; L661-I665 HydrophobicContact CD1-CD1 3.95Å; L661-I665 HydrophobicContact CD1-CG1 4.1Å; L661-I665 HydrophobicContact CD2-CD1 3.94Å; L661-I665 HydrophobicContact CG-CD1 3.66Å; L661-I665 HydrophobicContact CG-CG1 4.16Å; L661-I665 PolarHBondContact O-N 2.84Å; L661-I665 VanDerWaalsContact O-N 3.13Å; L661-V681 HydrophobicContact CD2-CB 4.21Å; L661-V681 HydrophobicContact CD2-CG1 4.31Å; L661-V681 HydrophobicContact CD2-CG2 4.49Å; L661-Y682 HydrophobicContact CD2-CE2 3.87Å |
| 662 | N | 96.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.7 | -47.4 | -173.3 | -73.4 | -17.7 | 0 | 0 | 0 | 112.5 | L658 L664 I665 Q666 | L658-N662 VanDerWaalsContact O-CB 3.26Å; L658-N662 WeakPolarHBondContact O-CB 3.22Å; L658-N662 PolarHBondContact O-N 2.72Å; L658-N662 PolarHBondContact O-ND2 3.39Å; N662-L664 VanDerWaalsContact C-N 3.25Å; N662-L664 PolarHBondContact O-N 3.25Å; N662-I665 PolarHBondContact O-N 2.92Å; N662-Q666 WeakPolarHBondContact O-CB 3.27Å; N662-Q666 VanDerWaalsContact O-CG 3.32Å; N662-Q666 WeakPolarHBondContact O-CG 3.2Å; N662-Q666 PolarHBondContact O-N 3.14Å |
| 663 | P | 96.4 | Very high | 95.5 | Very high | 18 Ų | 18 | 44 Ų | 44 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -33.3 | 177.1 | -24.2 | 35.6 | 0 | 0 | 0 | 112.9 | R555 F560 L659 L667 | R555-P663 HydrophobicContact CB-CB 4.21Å; F560-P663 HydrophobicContact CE1-CB 3.77Å; F560-P663 HydrophobicContact CE1-CG 4.22Å; F560-P663 HydrophobicContact CZ-CB 3.84Å; F560-P663 HydrophobicContact CZ-CG 3.8Å; L659-P663 VanDerWaalsContact O-CD 3.24Å; L659-P663 WeakPolarHBondContact O-CD 3.42Å; P663-L667 WeakPolarHBondContact O-CB 3.43Å; P663-L667 WeakPolarHBondContact O-CG 3.45Å; P663-L667 PolarHBondContact O-N 3.19Å |
| 664 | L | 96.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 177.9 | -59 | 179.6 | 0 | 0 | 0 | 112.2 | F560 F561 A564 I568 L661 N662 C669 A674 | F560-L664 HydrophobicContact CD1-CD2 3.73Å; F560-L664 HydrophobicContact CE1-CD2 3.73Å; F560-L664 HydrophobicContact CE1-CG 4.06Å; F561-L664 HydrophobicContact CB-CD2 4.49Å; F561-L664 HydrophobicContact CD2-CD1 4.25Å; F561-L664 HydrophobicContact CD2-CD2 4.17Å; A564-L664 HydrophobicContact CB-CD1 3.91Å; A564-L664 HydrophobicContact CB-CG 4.44Å; I568-L664 HydrophobicContact CD1-CD1 4.4Å; L661-L664 WeakPolarHBondContact O-CB 3.4Å; L661-L664 PolarHBondContact O-N 2.87Å; N662-L664 VanDerWaalsContact C-N 3.25Å; N662-L664 PolarHBondContact O-N 3.25Å; L664-C669 HydrophobicContact CB-CB 4.17Å; L664-C669 VanDerWaalsContact O-CB 3.24Å; L664-C669 WeakPolarHBondContact O-CB 3.43Å; L664-C669 PolarHBondContact O-N 3.03Å; L664-A674 HydrophobicContact CB-CB 4.29Å; L664-A674 HydrophobicContact CD1-CB 4.07Å |
| 665 | I | 95.4 | Very high | 95.6 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 14% | 0.138 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.8 | -48.3 | 179.5 | -63.4 | 177.8 | 0 | 0 | 0 | 110.3 | L661 N662 L667 N668 Y682 L693 | L661-I665 HydrophobicContact CD1-CD1 3.95Å; L661-I665 HydrophobicContact CD1-CG1 4.1Å; L661-I665 HydrophobicContact CD2-CD1 3.94Å; L661-I665 HydrophobicContact CG-CD1 3.66Å; L661-I665 HydrophobicContact CG-CG1 4.16Å; L661-I665 PolarHBondContact O-N 2.84Å; L661-I665 VanDerWaalsContact O-N 3.13Å; N662-I665 PolarHBondContact O-N 2.92Å; I665-L667 VanDerWaalsContact C-N 3.29Å; I665-L667 PolarHBondContact O-N 3.16Å; I665-N668 PolarHBondContact O-N 3.31Å; I665-N668 VanDerWaalsContact O-N 3.07Å; I665-Y682 HydrophobicContact CD1-CE2 3.68Å; I665-Y682 WeakPolarHBondContact CD1-OH 3.5Å; I665-L693 HydrophobicContact CG2-CD2 4.18Å |
| 666 | Q | 94.6 | Very high | 95.6 | Very high | 149 Ų | 149 | 39.5 Ų | 39.5 | 70% | 0.696 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -59.3 | -40.5 | -179.3 | -73.2 | 173.7 | -18.5 | 0 | 0 | 111.7 | N662 N668 | N662-Q666 WeakPolarHBondContact O-CB 3.27Å; N662-Q666 VanDerWaalsContact O-CG 3.32Å; N662-Q666 WeakPolarHBondContact O-CG 3.2Å; N662-Q666 PolarHBondContact O-N 3.14Å; Q666-N668 VanDerWaalsContact C-N 3.26Å; Q666-N668 PolarHBondContact O-N 3.44Å |
| 667 | L | 94.8 | Very high | 95.6 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 17% | 0.173 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 6.7 | 179.7 | -61.9 | 174.9 | 0 | 0 | 0 | 113.8 | D552 L553 R555 K556 P663 I665 C669 | D552-L667 VanDerWaalsContact O-CD2 3.29Å; D552-L667 WeakPolarHBondContact O-CD2 3.38Å; L553-L667 HydrophobicContact CD2-CD2 4.15Å; R555-L667 HydrophobicContact CB-CD1 3.68Å; K556-L667 WeakPolarHBondContact CE-O 3.43Å; K556-L667 HydrophobicContact CG-CB 3.9Å; K556-L667 HydrophobicContact CG-CD1 4.12Å; P663-L667 WeakPolarHBondContact O-CB 3.43Å; P663-L667 WeakPolarHBondContact O-CG 3.45Å; P663-L667 PolarHBondContact O-N 3.19Å; I665-L667 VanDerWaalsContact C-N 3.29Å; I665-L667 PolarHBondContact O-N 3.16Å; L667-C669 PolarHBondContact O-N 3.04Å |
| 668 | N | 93.4 | Very high | 95.6 | Very high | 91 Ų | 91 | 37.8 Ų | 37.8 | 49% | 0.487 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 58 | -176.7 | -66.5 | -63.5 | 0 | 0 | 0 | 112.3 | I665 Q666 N670 K697 | I665-N668 PolarHBondContact O-N 3.31Å; I665-N668 VanDerWaalsContact O-N 3.07Å; Q666-N668 VanDerWaalsContact C-N 3.26Å; Q666-N668 PolarHBondContact O-N 3.44Å; N668-N670 PolarHBondContact O-N 3.36Å; N668-K697 PolarHBondContact OD1-NZ 3.08Å |
| 669 | C | 92 | Very high | 95.7 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 11% | 0.108 | 20% | 0.196 | C | C | . | . | trans | -49.3 | 135.4 | 178 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | L664 L667 K671 A674 Y675 | L664-C669 HydrophobicContact CB-CB 4.17Å; L664-C669 VanDerWaalsContact O-CB 3.24Å; L664-C669 WeakPolarHBondContact O-CB 3.43Å; L664-C669 PolarHBondContact O-N 3.03Å; L667-C669 PolarHBondContact O-N 3.04Å; C669-K671 VanDerWaalsContact C-N 3.25Å; C669-K671 PolarHBondContact O-N 3.17Å; C669-A674 HydrophobicContact CB-CB 4.04Å; C669-Y675 PolarHBondContact N-OH 3.15Å; C669-Y675 WeakPolarHBondContact O-CE2 3.4Å; C669-Y675 VanDerWaalsContact O-CZ 3.31Å; C669-Y675 PolarHBondContact O-OH 2.98Å | ||
| 670 | N | 92.8 | Very high | 95.7 | Very high | 121 Ų | 121 | 32.7 Ų | 32.7 | 65% | 0.647 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -87.5 | 12.5 | -180 | 67.1 | -3.9 | 0 | 0 | 0 | 113.4 | N668 | N668-N670 PolarHBondContact O-N 3.36Š|
| 671 | K | 93.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 32.6 Ų | 32.6 | 34% | 0.335 | 17% | 0.172 | S | C | . | . | trans | -104.8 | 118.5 | -178.4 | -53.7 | -61.4 | -176.9 | -177.5 | 0 | 109.8 | F561 C669 A673 A674 | F561-K671 HydrophobicContact CD1-CG 4.21Å; F561-K671 HydrophobicContact CD2-CB 4.29Å; F561-K671 HydrophobicContact CD2-CG 4.24Å; F561-K671 HydrophobicContact CE1-CB 4.19Å; F561-K671 HydrophobicContact CE1-CG 4.01Å; F561-K671 HydrophobicContact CE2-CB 3.68Å; F561-K671 HydrophobicContact CE2-CG 4.05Å; F561-K671 HydrophobicContact CG-CG 4.31Å; F561-K671 HydrophobicContact CZ-CB 3.62Å; F561-K671 HydrophobicContact CZ-CG 3.93Å; C669-K671 VanDerWaalsContact C-N 3.25Å; C669-K671 PolarHBondContact O-N 3.17Å; K671-A673 PolarHBondContact O-N 3.05Å; K671-A673 VanDerWaalsContact O-N 3.12Å; K671-A674 VanDerWaalsContact O-CB 3.32Å; K671-A674 WeakPolarHBondContact O-CB 3.4Å; K671-A674 PolarHBondContact O-N 3.29Å | ||
| 672 | L | 94.9 | Very high | 95.7 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -47.5 | -43.8 | 176 | -179.2 | 77.2 | 0 | 0 | 0 | 112.7 | A674 Y675 V676 A698 I701 D702 S705 | L672-A674 PolarHBondContact O-N 3.02Å; L672-A674 VanDerWaalsContact O-N 3.13Å; L672-Y675 PolarHBondContact O-N 3.02Å; L672-V676 HydrophobicContact CG-CG2 4.11Å; L672-V676 PolarHBondContact O-N 3.21Å; L672-A698 HydrophobicContact CD1-CB 3.65Å; L672-A698 WeakPolarHBondContact CD1-O 3.24Å; L672-I701 HydrophobicContact CB-CG2 4.16Å; L672-D702 HydrophobicContact CD1-CB 4.43Å; L672-S705 WeakPolarHBondContact CD2-OG 3.47Å |
| 673 | A | 94.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 32.5 Ų | 32.5 | 27% | 0.273 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.4 | -22.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F561 K671 L677 | F561-A673 HydrophobicContact CZ-CB 4.12Å; K671-A673 PolarHBondContact O-N 3.05Å; K671-A673 VanDerWaalsContact O-N 3.12Å; A673-L677 WeakPolarHBondContact O-CB 3.46Å; A673-L677 VanDerWaalsContact O-CG 3.26Å; A673-L677 WeakPolarHBondContact O-CG 3.36Å; A673-L677 PolarHBondContact O-N 3.05Å; A673-L677 VanDerWaalsContact O-N 3.1Å |
| 674 | A | 95.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -47.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F561 L664 C669 K671 L672 L677 G678 | F561-A674 HydrophobicContact CE2-CB 4.02Å; L664-A674 HydrophobicContact CB-CB 4.29Å; L664-A674 HydrophobicContact CD1-CB 4.07Å; C669-A674 HydrophobicContact CB-CB 4.04Å; K671-A674 VanDerWaalsContact O-CB 3.32Å; K671-A674 WeakPolarHBondContact O-CB 3.4Å; K671-A674 PolarHBondContact O-N 3.29Å; L672-A674 PolarHBondContact O-N 3.02Å; L672-A674 VanDerWaalsContact O-N 3.13Å; A674-L677 PolarHBondContact O-N 3.19Å; A674-G678 PolarHBondContact O-N 3.3Å |
| 675 | Y | 97.6 | Very high | 95.5 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.7 | -31.9 | -178.8 | -56.9 | -71 | 0 | 0 | 0 | 112.8 | C669 L672 G678 F679 C694 K697 I701 | C669-Y675 PolarHBondContact N-OH 3.15Å; C669-Y675 WeakPolarHBondContact O-CE2 3.4Å; C669-Y675 VanDerWaalsContact O-CZ 3.31Å; C669-Y675 PolarHBondContact O-OH 2.98Å; L672-Y675 PolarHBondContact O-N 3.02Å; Y675-G678 PolarHBondContact O-N 2.75Å; Y675-F679 WeakPolarHBondContact O-CB 3.46Å; Y675-F679 PolarHBondContact O-N 3.41Å; Y675-C694 WeakPolarHBondContact CB-O 3.5Å; Y675-C694 WeakPolarHBondContact O-CB 3.41Å; Y675-K697 HydrophobicContact CD1-CB 3.52Å; Y675-K697 HydrophobicContact CD1-CG 4.25Å; Y675-K697 HydrophobicContact CD2-CB 4.11Å; Y675-K697 HydrophobicContact CE1-CB 3.42Å; Y675-K697 VanDerWaalsContact CE1-CB 3.42Å; Y675-K697 HydrophobicContact CE1-CD 4.36Å; Y675-K697 HydrophobicContact CE1-CG 3.84Å; Y675-K697 HydrophobicContact CE2-CB 4.03Å; Y675-K697 HydrophobicContact CG-CB 3.86Å; Y675-I701 HydrophobicContact CD2-CD1 3.83Å; Y675-I701 HydrophobicContact CE2-CD1 3.52Å |
| 676 | V | 96.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 171 | 173 | 0 | 0 | 0 | 0 | 110.6 | L672 F679 E680 Q707 F863 | L672-V676 HydrophobicContact CG-CG2 4.11Å; L672-V676 PolarHBondContact O-N 3.21Å; V676-F679 PolarHBondContact O-N 3.38Å; V676-E680 WeakPolarHBondContact O-CG 3.29Å; V676-E680 PolarHBondContact O-N 3.33Å; V676-E680 VanDerWaalsContact O-N 3.16Å; V676-Q707 HydrophobicContact CG1-CB 4.2Å; V676-Q707 HydrophobicContact CG2-CB 4.05Å; V676-F863 HydrophobicContact CG1-CZ 3.91Å |
| 677 | L | 96.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68 | -38.8 | 175 | -72.8 | 172.6 | 0 | 0 | 0 | 112.1 | K565 I568 K569 L572 A673 A674 F679 E680 V681 F863 | K565-L677 HydrophobicContact CB-CD1 4.31Å; K565-L677 HydrophobicContact CG-CD1 3.84Å; I568-L677 HydrophobicContact CB-CD1 4.49Å; I568-L677 HydrophobicContact CG2-CB 3.98Å; I568-L677 HydrophobicContact CG2-CD1 4.48Å; I568-L677 HydrophobicContact CG2-CD2 4.32Å; I568-L677 HydrophobicContact CG2-CG 4.5Å; K569-L677 HydrophobicContact CG-CD1 4.38Å; K569-L677 HydrophobicContact CG-CD2 3.72Å; L572-L677 HydrophobicContact CD1-CD2 4.03Å; A673-L677 WeakPolarHBondContact O-CB 3.46Å; A673-L677 VanDerWaalsContact O-CG 3.26Å; A673-L677 WeakPolarHBondContact O-CG 3.36Å; A673-L677 PolarHBondContact O-N 3.05Å; A673-L677 VanDerWaalsContact O-N 3.1Å; A674-L677 PolarHBondContact O-N 3.19Å; L677-F679 VanDerWaalsContact C-N 3.35Å; L677-E680 PolarHBondContact O-N 3.42Å; L677-V681 WeakPolarHBondContact O-CG2 3.39Å; L677-V681 PolarHBondContact O-N 2.9Å; L677-F863 HydrophobicContact CD2-CE1 4.06Å; L677-F863 HydrophobicContact CD2-CE2 4.42Å; L677-F863 HydrophobicContact CD2-CZ 3.56Å; L677-F863 HydrophobicContact CG-CZ 4.28Å |
| 678 | G | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A674 Y675 E680 V681 Y682 | A674-G678 PolarHBondContact O-N 3.3Å; Y675-G678 PolarHBondContact O-N 2.75Å; G678-E680 VanDerWaalsContact C-N 3.34Å; G678-E680 PolarHBondContact O-N 3.22Å; G678-V681 PolarHBondContact O-N 3.48Å; G678-Y682 WeakPolarHBondContact O-CD2 3.2Å; G678-Y682 PolarHBondContact O-N 3.31Å |
| 679 | F | 98 | Very high | 95.5 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.4 | -49.4 | 172.6 | 174.5 | -92.2 | 0 | 0 | 0 | 110.9 | Y675 V676 L677 V681 Y682 Y683 M691 C694 L695 C711 K714 F715 | Y675-F679 WeakPolarHBondContact O-CB 3.46Å; Y675-F679 PolarHBondContact O-N 3.41Å; V676-F679 PolarHBondContact O-N 3.38Å; L677-F679 VanDerWaalsContact C-N 3.35Å; F679-V681 VanDerWaalsContact C-N 3.33Å; F679-V681 PolarHBondContact O-N 3.13Å; F679-Y682 PolarHBondContact O-N 2.58Å; F679-Y683 HydrophobicContact CE1-CD2 4.17Å; F679-Y683 HydrophobicContact CE1-CG 4.46Å; F679-Y683 AromaticContact CZ-CD2 3.98Å; F679-Y683 HydrophobicContact CZ-CD2 3.98Å; F679-Y683 WeakPolarHBondContact O-CB 3.38Å; F679-Y683 PolarHBondContact O-N 3.47Å; F679-M691 HydrophobicContact CD2-CB 3.83Å; F679-M691 HydrophobicContact CD2-CG 4.33Å; F679-M691 HydrophobicContact CE2-CB 3.85Å; F679-M691 HydrophobicContact CE2-CG 4.27Å; F679-M691 HydrophobicContact CE2-SD 4.32Å; F679-C694 HydrophobicContact CB-CB 4.05Å; F679-L695 HydrophobicContact CD2-CD1 4.28Å; F679-L695 HydrophobicContact CD2-CD2 3.89Å; F679-L695 HydrophobicContact CD2-CG 3.85Å; F679-L695 HydrophobicContact CE2-CD1 4.01Å; F679-L695 HydrophobicContact CE2-CD2 4.11Å; F679-L695 HydrophobicContact CE2-CG 4.07Å; F679-L695 HydrophobicContact CG-CD2 4.46Å; F679-C711 HydrophobicContact CD1-CB 3.63Å; F679-C711 WeakPolarHBondContact CD1-SG 3.41Å; F679-C711 HydrophobicContact CD2-CB 4.41Å; F679-C711 HydrophobicContact CE1-CB 3.74Å; F679-C711 HydrophobicContact CG-CB 3.99Å; F679-C711 HydrophobicContact CZ-CB 4.19Å; F679-C711 WeakPolarHBondContact CZ-O 3.43Å; F679-K714 HydrophobicContact CE1-CB 4.1Å; F679-K714 HydrophobicContact CE1-CD 4.3Å; F679-K714 HydrophobicContact CZ-CB 4.1Å; F679-F715 HydrophobicContact CE2-CB 3.81Å; F679-F715 HydrophobicContact CE2-CD2 4.03Å; F679-F715 HydrophobicContact CE2-CG 4.26Å; F679-F715 HydrophobicContact CZ-CB 3.93Å |
| 680 | E | 96.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -32.8 | -178.5 | -70.5 | -78.2 | -178 | 0 | 0 | 113.2 | L572 V676 L677 G678 R684 K714 F863 | L572-E680 HydrophobicContact CD1-CB 3.99Å; L572-E680 HydrophobicContact CD2-CB 4.38Å; V676-E680 WeakPolarHBondContact O-CG 3.29Å; V676-E680 PolarHBondContact O-N 3.33Å; V676-E680 VanDerWaalsContact O-N 3.16Å; L677-E680 PolarHBondContact O-N 3.42Å; G678-E680 VanDerWaalsContact C-N 3.34Å; G678-E680 PolarHBondContact O-N 3.22Å; E680-R684 PolarHBondContact O-N 3.05Å; E680-R684 PolarHBondContact O-NH1 2.93Å; E680-R684 IonicContact OE2-CZ 3.41Å; E680-R684 IonicContact OE2-NH1 2.78Å; E680-R684 PolarHBondContact OE2-NH1 3.34Å; E680-R684 IonicContact OE2-NH2 2.71Å; E680-K714 IonicContact OE1-NZ 2.73Å; E680-K714 PolarHBondContact OE1-NZ 3.35Å; E680-K714 IonicContact OE2-NZ 2.7Å; E680-K714 PolarHBondContact OE2-NZ 2.7Å; E680-K714 VanDerWaalsContact OE2-NZ 3.17Å; E680-F863 HydrophobicContact CG-CE1 4.11Å |
| 681 | V | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.9 | -49.7 | 172 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | I568 L572 A657 L658 L661 L677 G678 F679 Y683 R684 R685 | I568-V681 HydrophobicContact CG2-CG2 3.72Å; L572-V681 HydrophobicContact CD1-CG2 4.34Å; L572-V681 HydrophobicContact CD2-CG2 3.82Å; L572-V681 HydrophobicContact CG-CG2 4.14Å; A657-V681 HydrophobicContact CB-CG2 4.19Å; L658-V681 HydrophobicContact CD2-CG1 4.01Å; L661-V681 HydrophobicContact CD2-CB 4.21Å; L661-V681 HydrophobicContact CD2-CG1 4.31Å; L661-V681 HydrophobicContact CD2-CG2 4.49Å; L677-V681 WeakPolarHBondContact O-CG2 3.39Å; L677-V681 PolarHBondContact O-N 2.9Å; G678-V681 PolarHBondContact O-N 3.48Å; F679-V681 VanDerWaalsContact C-N 3.33Å; F679-V681 PolarHBondContact O-N 3.13Å; V681-Y683 VanDerWaalsContact C-N 3.33Å; V681-Y683 PolarHBondContact O-N 3.2Å; V681-R684 PolarHBondContact O-N 3.36Å; V681-R685 WeakPolarHBondContact O-CG 3.3Å; V681-R685 PolarHBondContact O-N 3.42Å |
| 682 | Y | 97.6 | Very high | 96 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 4% | 0.043 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.3 | -32.3 | -178.3 | -66.3 | -50.5 | 0 | 0 | 0 | 113.2 | L658 L661 I665 G678 F679 R685 G686 K687 L690 M691 | L658-Y682 HydrophobicContact CD2-CE1 3.86Å; L661-Y682 HydrophobicContact CD2-CE2 3.87Å; I665-Y682 HydrophobicContact CD1-CE2 3.68Å; I665-Y682 WeakPolarHBondContact CD1-OH 3.5Å; G678-Y682 WeakPolarHBondContact O-CD2 3.2Å; G678-Y682 PolarHBondContact O-N 3.31Å; F679-Y682 PolarHBondContact O-N 2.58Å; Y682-R685 CarbonylContact O-C 3.34Å; Y682-R685 PolarHBondContact O-N 2.77Å; Y682-R685 VanDerWaalsContact O-N 3.15Å; Y682-G686 PolarHBondContact O-N 2.98Å; Y682-K687 HydrophobicContact CD1-CB 4.18Å; Y682-K687 PolarHBondContact O-N 3.32Å; Y682-L690 HydrophobicContact CD1-CB 3.74Å; Y682-L690 HydrophobicContact CD1-CD1 3.69Å; Y682-L690 HydrophobicContact CD1-CG 4.37Å; Y682-L690 HydrophobicContact CD2-CB 3.55Å; Y682-L690 HydrophobicContact CE1-CB 3.98Å; Y682-L690 HydrophobicContact CE1-CD1 3.39Å; Y682-L690 HydrophobicContact CE1-CG 4.28Å; Y682-L690 HydrophobicContact CE2-CB 3.79Å; Y682-L690 HydrophobicContact CE2-CD1 4.48Å; Y682-L690 HydrophobicContact CG-CB 3.53Å; Y682-L690 HydrophobicContact CG-CD1 4.39Å; Y682-M691 WeakPolarHBondContact O-CE 3.47Å |
| 683 | Y | 96.5 | Very high | 96 | Very high | 48 Ų | 48 | 28.7 Ų | 28.7 | 19% | 0.188 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.1 | -52.4 | 172.1 | -177.7 | -94.8 | 0 | 0 | 0 | 110.8 | F679 V681 R685 G686 M691 K714 Y718 | F679-Y683 HydrophobicContact CE1-CD2 4.17Å; F679-Y683 HydrophobicContact CE1-CG 4.46Å; F679-Y683 AromaticContact CZ-CD2 3.98Å; F679-Y683 HydrophobicContact CZ-CD2 3.98Å; F679-Y683 WeakPolarHBondContact O-CB 3.38Å; F679-Y683 PolarHBondContact O-N 3.47Å; V681-Y683 VanDerWaalsContact C-N 3.33Å; V681-Y683 PolarHBondContact O-N 3.2Å; Y683-R685 VanDerWaalsContact C-N 3.31Å; Y683-R685 PolarHBondContact O-N 3.03Å; Y683-G686 PolarHBondContact O-N 2.57Å; Y683-G686 VanDerWaalsContact O-N 3.14Å; Y683-M691 VanDerWaalsContact CA-CE 3.49Å; Y683-M691 HydrophobicContact CD2-SD 4.08Å; Y683-K714 HydrophobicContact CE2-CB 4.28Å; Y683-Y718 HydrophobicContact CD2-CD2 4.06Å; Y683-Y718 HydrophobicContact CD2-CG 4.44Å; Y683-Y718 AromaticContact CE2-CD2 3.55Å; Y683-Y718 HydrophobicContact CE2-CD2 3.55Å; Y683-Y718 HydrophobicContact CE2-CE2 4.48Å; Y683-Y718 HydrophobicContact CE2-CG 4Å; Y683-Y718 AromaticContact CZ-CD2 3.99Å |
| 684 | R | 94.6 | Very high | 96.1 | Very high | 35 Ų | 35 | 27.1 Ų | 27.1 | 13% | 0.132 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.6 | -28 | 177.1 | -71.4 | 162.6 | 177.8 | 68.1 | 7 | 114 | Y575 D576 L654 E680 V681 G686 V865 | Y575-R684 HydrophobicContact CD1-CB 4.28Å; Y575-R684 HydrophobicContact CD1-CG 4.01Å; Y575-R684 HydrophobicContact CE1-CB 3.78Å; Y575-R684 HydrophobicContact CE1-CG 3.72Å; D576-R684 IonicContact OD1-CZ 2.71Å; D576-R684 IonicContact OD1-NE 3.84Å; D576-R684 PolarHBondContact OD1-NE 2.92Å; D576-R684 IonicContact OD1-NH2 3.74Å; D576-R684 PolarHBondContact OD1-NH2 3.47Å; D576-R684 IonicContact OD2-CZ 2.67Å; D576-R684 IonicContact OD2-NE 3.24Å; D576-R684 PolarHBondContact OD2-NE 3.42Å; D576-R684 IonicContact OD2-NH2 3.42Å; D576-R684 PolarHBondContact OD2-NH2 2.93Å; L654-R684 HydrophobicContact CD1-CB 3.71Å; L654-R684 HydrophobicContact CD2-CB 4.29Å; E680-R684 PolarHBondContact O-N 3.05Å; E680-R684 PolarHBondContact O-NH1 2.93Å; E680-R684 IonicContact OE2-CZ 3.41Å; E680-R684 IonicContact OE2-NH1 2.78Å; E680-R684 PolarHBondContact OE2-NH1 3.34Å; E680-R684 IonicContact OE2-NH2 2.71Å; V681-R684 PolarHBondContact O-N 3.36Å; R684-G686 VanDerWaalsContact C-N 3.31Å; R684-V865 VanDerWaalsContact NH2-CG2 3.27Å |
| 685 | R | 95.1 | Very high | 96.2 | Very high | 73 Ų | 73 | 27.1 Ų | 27.1 | 28% | 0.275 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.3 | 174.8 | -64.7 | -175.9 | 76.3 | -151.5 | 9.9 | 113.7 | L654 E655 V681 Y682 Y683 K687 | L654-R685 HydrophobicContact CB-CG 4.12Å; L654-R685 HydrophobicContact CD1-CG 3.7Å; E655-R685 IonicContact OE1-CZ 2.6Å; E655-R685 IonicContact OE1-NE 3.33Å; E655-R685 PolarHBondContact OE1-NE 2.76Å; E655-R685 IonicContact OE1-NH2 3.39Å; E655-R685 PolarHBondContact OE1-NH2 3.36Å; E655-R685 IonicContact OE2-NH2 3.4Å; E655-R685 PolarHBondContact OE2-NH2 3.47Å; V681-R685 WeakPolarHBondContact O-CG 3.3Å; V681-R685 PolarHBondContact O-N 3.42Å; Y682-R685 CarbonylContact O-C 3.34Å; Y682-R685 PolarHBondContact O-N 2.77Å; Y682-R685 VanDerWaalsContact O-N 3.15Å; Y683-R685 VanDerWaalsContact C-N 3.31Å; Y683-R685 PolarHBondContact O-N 3.03Å; R685-K687 VanDerWaalsContact C-N 3.29Å; R685-K687 HydrophobicContact CB-CG 3.96Å; R685-K687 PolarHBondContact O-N 2.86Å |
| 686 | G | 93.5 | Very high | 96.1 | Very high | 31 Ų | 31 | 32.3 Ų | 32.3 | 32% | 0.32 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 30 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y682 Y683 R684 V688 Y718 | Y682-G686 PolarHBondContact O-N 2.98Å; Y683-G686 PolarHBondContact O-N 2.57Å; Y683-G686 VanDerWaalsContact O-N 3.14Å; R684-G686 VanDerWaalsContact C-N 3.31Å; G686-V688 PolarHBondContact O-N 3.05Å; G686-Y718 VanDerWaalsContact CA-OH 3.28Å; G686-Y718 WeakPolarHBondContact CA-OH 3.25Å |
| 687 | K | 94.8 | Very high | 96 | Very high | 104 Ų | 104 | 34.8 Ų | 34.8 | 45% | 0.452 | 16% | 0.164 | S | C | . | . | trans | -95.6 | 78.6 | -177.8 | -62.9 | -61.6 | -176.5 | -176.2 | 0 | 112 | Y682 R685 L689 L690 M691 | Y682-K687 HydrophobicContact CD1-CB 4.18Å; Y682-K687 PolarHBondContact O-N 3.32Å; R685-K687 VanDerWaalsContact C-N 3.29Å; R685-K687 HydrophobicContact CB-CG 3.96Å; R685-K687 PolarHBondContact O-N 2.86Å; K687-L689 PolarHBondContact O-N 3.28Å; K687-L690 HydrophobicContact CB-CB 4.15Å; K687-L690 HydrophobicContact CB-CD1 4.05Å; K687-L690 HydrophobicContact CB-CG 4.34Å; K687-L690 HydrophobicContact CG-CD1 4.42Å; K687-L690 PolarHBondContact O-N 2.93Å; K687-M691 WeakPolarHBondContact O-CG 3.4Å; K687-M691 PolarHBondContact O-N 3.15Å | ||
| 688 | V | 94.6 | Very high | 96 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -49.8 | -50.4 | -172.8 | -179.9 | 0 | 0 | 0 | 0 | 114.1 | G686 L690 M691 L692 F715 Y718 I724 V728 V732 | G686-V688 PolarHBondContact O-N 3.05Å; V688-L690 VanDerWaalsContact C-N 3.28Å; V688-L690 PolarHBondContact O-N 2.97Å; V688-M691 WeakPolarHBondContact O-CB 3.23Å; V688-M691 PolarHBondContact O-N 3.46Å; V688-L692 PolarHBondContact O-N 3.34Å; V688-F715 HydrophobicContact CG1-CE2 3.99Å; V688-F715 HydrophobicContact CG1-CZ 4.08Å; V688-Y718 HydrophobicContact CG2-CE1 3.92Å; V688-I724 HydrophobicContact CG1-CD1 3.64Å; V688-I724 HydrophobicContact CG1-CG1 4.45Å; V688-I724 HydrophobicContact CG2-CD1 4.17Å; V688-I724 HydrophobicContact CG2-CG1 4.29Å; V688-V728 HydrophobicContact CB-CG1 4.27Å; V688-V728 HydrophobicContact CG1-CG1 4.06Å; V688-V732 HydrophobicContact CG1-CG2 3.84Å |
| 689 | L | 94.7 | Very high | 95.9 | Very high | 80 Ų | 80 | 37.1 Ų | 37.1 | 42% | 0.419 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.9 | -33.2 | -178.8 | -68.2 | 178.7 | 0 | 0 | 0 | 113 | K687 L692 L693 V728 I731 | K687-L689 PolarHBondContact O-N 3.28Å; L689-L692 PolarHBondContact O-N 3.04Å; L689-L693 WeakPolarHBondContact O-CB 3.44Å; L689-L693 PolarHBondContact O-N 3.48Å; L689-V728 HydrophobicContact CD1-CG2 4.33Å; L689-V728 HydrophobicContact CD2-CG1 3.86Å; L689-V728 HydrophobicContact CG-CG1 3.97Å; L689-V728 HydrophobicContact CG-CG2 4.48Å; L689-I731 HydrophobicContact CD2-CB 4.5Å; L689-I731 HydrophobicContact CD2-CD1 4.42Å; L689-I731 HydrophobicContact CD2-CG2 4.16Å |
| 690 | L | 95.9 | Very high | 95.8 | Very high | 61 Ų | 61 | 45.4 Ų | 45.4 | 32% | 0.319 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -77.5 | -31.1 | 177.8 | -62.8 | 178.6 | 0 | 0 | 0 | 111.8 | Y682 K687 V688 L693 C694 | Y682-L690 HydrophobicContact CD1-CB 3.74Å; Y682-L690 HydrophobicContact CD1-CD1 3.69Å; Y682-L690 HydrophobicContact CD1-CG 4.37Å; Y682-L690 HydrophobicContact CD2-CB 3.55Å; Y682-L690 HydrophobicContact CE1-CB 3.98Å; Y682-L690 HydrophobicContact CE1-CD1 3.39Å; Y682-L690 HydrophobicContact CE1-CG 4.28Å; Y682-L690 HydrophobicContact CE2-CB 3.79Å; Y682-L690 HydrophobicContact CE2-CD1 4.48Å; Y682-L690 HydrophobicContact CG-CB 3.53Å; Y682-L690 HydrophobicContact CG-CD1 4.39Å; K687-L690 HydrophobicContact CB-CB 4.15Å; K687-L690 HydrophobicContact CB-CD1 4.05Å; K687-L690 HydrophobicContact CB-CG 4.34Å; K687-L690 HydrophobicContact CG-CD1 4.42Å; K687-L690 PolarHBondContact O-N 2.93Å; V688-L690 VanDerWaalsContact C-N 3.28Å; V688-L690 PolarHBondContact O-N 2.97Å; L690-L693 HydrophobicContact CD2-CD2 4.28Å; L690-C694 PolarHBondContact O-N 3.28Å; L690-C694 VanDerWaalsContact O-N 3.1Å; L690-C694 PolarHBondContact O-SG 3.46Å |
| 691 | M | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -49.4 | 166.8 | -60.4 | -177.5 | -142.7 | 0 | 0 | 110.3 | F679 Y682 Y683 K687 V688 L693 C694 L695 F715 Y718 | F679-M691 HydrophobicContact CD2-CB 3.83Å; F679-M691 HydrophobicContact CD2-CG 4.33Å; F679-M691 HydrophobicContact CE2-CB 3.85Å; F679-M691 HydrophobicContact CE2-CG 4.27Å; F679-M691 HydrophobicContact CE2-SD 4.32Å; Y682-M691 WeakPolarHBondContact O-CE 3.47Å; Y683-M691 VanDerWaalsContact CA-CE 3.49Å; Y683-M691 HydrophobicContact CD2-SD 4.08Å; K687-M691 WeakPolarHBondContact O-CG 3.4Å; K687-M691 PolarHBondContact O-N 3.15Å; V688-M691 WeakPolarHBondContact O-CB 3.23Å; V688-M691 PolarHBondContact O-N 3.46Å; M691-L693 PolarHBondContact O-N 3.27Å; M691-C694 WeakPolarHBondContact O-CB 3.2Å; M691-C694 PolarHBondContact O-N 3.07Å; M691-C694 VanDerWaalsContact O-N 3.14Å; M691-L695 WeakPolarHBondContact O-CG 3.35Å; M691-L695 PolarHBondContact O-N 2.94Å; M691-F715 HydrophobicContact CB-CD2 3.93Å; M691-F715 HydrophobicContact CB-CE2 3.85Å; M691-F715 HydrophobicContact SD-CD2 3.99Å; M691-F715 HydrophobicContact SD-CE2 4.22Å; M691-Y718 HydrophobicContact CE-CD1 4.23Å; M691-Y718 HydrophobicContact CE-CE1 3.82Å; M691-Y718 HydrophobicContact CE-CE2 4.33Å |
| 692 | L | 95.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 178.7 | -179 | 61 | 0 | 0 | 0 | 112 | V688 L689 C694 L695 R696 F715 I731 V732 A735 Y736 | V688-L692 PolarHBondContact O-N 3.34Å; L689-L692 PolarHBondContact O-N 3.04Å; L692-C694 VanDerWaalsContact C-N 3.29Å; L692-C694 PolarHBondContact O-N 3.36Å; L692-L695 PolarHBondContact O-N 3.15Å; L692-R696 HydrophobicContact CD1-CG 4.05Å; L692-R696 HydrophobicContact CG-CG 4.34Å; L692-R696 VanDerWaalsContact O-CG 3.31Å; L692-R696 WeakPolarHBondContact O-CG 3.48Å; L692-R696 PolarHBondContact O-N 3.09Å; L692-F715 HydrophobicContact CB-CZ 4.23Å; L692-F715 HydrophobicContact CD1-CE1 4.35Å; L692-I731 HydrophobicContact CD2-CG2 3.98Å; L692-V732 HydrophobicContact CD2-CG2 4.14Å; L692-A735 HydrophobicContact CD1-CB 3.82Å; L692-A735 HydrophobicContact CD2-CB 3.89Å; L692-A735 HydrophobicContact CG-CB 4.39Å; L692-Y736 HydrophobicContact CD1-CD2 3.82Å; L692-Y736 HydrophobicContact CD1-CE2 3.52Å |
| 693 | L | 95.7 | Very high | 95.3 | Very high | 69 Ų | 69 | 55 Ų | 55 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.4 | -47.3 | 173.8 | 175.1 | 66.3 | 0 | 0 | 0 | 111.2 | I665 L689 L690 M691 R696 K697 | I665-L693 HydrophobicContact CG2-CD2 4.18Å; L689-L693 WeakPolarHBondContact O-CB 3.44Å; L689-L693 PolarHBondContact O-N 3.48Å; L690-L693 HydrophobicContact CD2-CD2 4.28Å; M691-L693 PolarHBondContact O-N 3.27Å; L693-R696 PolarHBondContact O-N 2.95Å; L693-K697 HydrophobicContact CD1-CG 4.17Å; L693-K697 WeakPolarHBondContact O-CB 3.48Å; L693-K697 VanDerWaalsContact O-CG 3.23Å; L693-K697 WeakPolarHBondContact O-CG 3.5Å; L693-K697 PolarHBondContact O-N 3.29Å |
| 694 | C | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 179.1 | -72.1 | 0 | 0 | 0 | 0 | 111.6 | Y675 F679 L690 M691 L692 K697 A698 | Y675-C694 WeakPolarHBondContact CB-O 3.5Å; Y675-C694 WeakPolarHBondContact O-CB 3.41Å; F679-C694 HydrophobicContact CB-CB 4.05Å; L690-C694 PolarHBondContact O-N 3.28Å; L690-C694 VanDerWaalsContact O-N 3.1Å; L690-C694 PolarHBondContact O-SG 3.46Å; M691-C694 WeakPolarHBondContact O-CB 3.2Å; M691-C694 PolarHBondContact O-N 3.07Å; M691-C694 VanDerWaalsContact O-N 3.14Å; L692-C694 VanDerWaalsContact C-N 3.29Å; L692-C694 PolarHBondContact O-N 3.36Å; C694-K697 PolarHBondContact O-N 3.28Å; C694-A698 VanDerWaalsContact O-CB 3.26Å; C694-A698 WeakPolarHBondContact O-CB 3.32Å; C694-A698 PolarHBondContact O-N 3.32Å |
| 695 | L | 96.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 177.4 | -68.4 | 175.4 | 0 | 0 | 0 | 112 | F679 M691 L692 K697 A698 E699 L708 C711 K712 F715 Y736 | F679-L695 HydrophobicContact CD2-CD1 4.28Å; F679-L695 HydrophobicContact CD2-CD2 3.89Å; F679-L695 HydrophobicContact CD2-CG 3.85Å; F679-L695 HydrophobicContact CE2-CD1 4.01Å; F679-L695 HydrophobicContact CE2-CD2 4.11Å; F679-L695 HydrophobicContact CE2-CG 4.07Å; F679-L695 HydrophobicContact CG-CD2 4.46Å; M691-L695 WeakPolarHBondContact O-CG 3.35Å; M691-L695 PolarHBondContact O-N 2.94Å; L692-L695 PolarHBondContact O-N 3.15Å; L695-K697 VanDerWaalsContact C-N 3.33Å; L695-K697 PolarHBondContact O-N 3.27Å; L695-A698 WeakPolarHBondContact O-CB 3.47Å; L695-A698 PolarHBondContact O-N 3.42Å; L695-E699 VanDerWaalsContact O-CB 3.31Å; L695-E699 WeakPolarHBondContact O-CB 3.43Å; L695-E699 PolarHBondContact O-N 3.22Å; L695-L708 HydrophobicContact CD2-CD1 3.74Å; L695-C711 HydrophobicContact CD2-CB 3.64Å; L695-K712 HydrophobicContact CD2-CG 4.27Å; L695-F715 HydrophobicContact CD1-CB 3.7Å; L695-F715 HydrophobicContact CD1-CD1 3.65Å; L695-F715 HydrophobicContact CD1-CD2 4.19Å; L695-F715 HydrophobicContact CD1-CE1 4.32Å; L695-F715 HydrophobicContact CD1-CG 3.57Å; L695-Y736 HydrophobicContact CB-CE2 4.44Å; L695-Y736 HydrophobicContact CD1-CE2 4.09Å |
| 696 | R | 95.6 | Very high | 95.1 | Very high | 117 Ų | 117 | 53.7 Ų | 53.7 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | -179.3 | -65.8 | -74.2 | -98.8 | -177.6 | -9.9 | 112.2 | L692 L693 K700 | L692-R696 HydrophobicContact CD1-CG 4.05Å; L692-R696 HydrophobicContact CG-CG 4.34Å; L692-R696 VanDerWaalsContact O-CG 3.31Å; L692-R696 WeakPolarHBondContact O-CG 3.48Å; L692-R696 PolarHBondContact O-N 3.09Å; L693-R696 PolarHBondContact O-N 2.95Å; R696-K700 WeakPolarHBondContact O-CG 3.38Å; R696-K700 PolarHBondContact O-N 3.47Å |
| 697 | K | 95.7 | Very high | 95.1 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 27% | 0.27 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.3 | -38.7 | 175.1 | -69.9 | -79.8 | -178.9 | 168.7 | 0 | 111.9 | N668 Y675 L693 C694 L695 K700 | N668-K697 PolarHBondContact OD1-NZ 3.08Å; Y675-K697 HydrophobicContact CD1-CB 3.52Å; Y675-K697 HydrophobicContact CD1-CG 4.25Å; Y675-K697 HydrophobicContact CD2-CB 4.11Å; Y675-K697 HydrophobicContact CE1-CB 3.42Å; Y675-K697 VanDerWaalsContact CE1-CB 3.42Å; Y675-K697 HydrophobicContact CE1-CD 4.36Å; Y675-K697 HydrophobicContact CE1-CG 3.84Å; Y675-K697 HydrophobicContact CE2-CB 4.03Å; Y675-K697 HydrophobicContact CG-CB 3.86Å; L693-K697 HydrophobicContact CD1-CG 4.17Å; L693-K697 WeakPolarHBondContact O-CB 3.48Å; L693-K697 VanDerWaalsContact O-CG 3.23Å; L693-K697 WeakPolarHBondContact O-CG 3.5Å; L693-K697 PolarHBondContact O-N 3.29Å; C694-K697 PolarHBondContact O-N 3.28Å; L695-K697 VanDerWaalsContact C-N 3.33Å; L695-K697 PolarHBondContact O-N 3.27Å; K697-K700 PolarHBondContact O-N 2.97Å |
| 698 | A | 95.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L672 C694 L695 K700 I701 D702 L708 | L672-A698 HydrophobicContact CD1-CB 3.65Å; L672-A698 WeakPolarHBondContact CD1-O 3.24Å; C694-A698 VanDerWaalsContact O-CB 3.26Å; C694-A698 WeakPolarHBondContact O-CB 3.32Å; C694-A698 PolarHBondContact O-N 3.32Å; L695-A698 WeakPolarHBondContact O-CB 3.47Å; L695-A698 PolarHBondContact O-N 3.42Å; A698-K700 VanDerWaalsContact C-N 3.31Å; A698-K700 PolarHBondContact O-N 3.11Å; A698-I701 WeakPolarHBondContact O-CB 3.47Å; A698-I701 PolarHBondContact O-N 3.35Å; A698-D702 PolarHBondContact O-N 3.04Å; A698-L708 HydrophobicContact CB-CD1 3.76Å; A698-L708 HydrophobicContact CB-CD2 4.48Å |
| 699 | E | 95.5 | Very high | 95.2 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -35.9 | 177.9 | -174.2 | 163.6 | -134.9 | 0 | 0 | 112.4 | L695 I701 P703 L708 K712 Y736 | L695-E699 VanDerWaalsContact O-CB 3.31Å; L695-E699 WeakPolarHBondContact O-CB 3.43Å; L695-E699 PolarHBondContact O-N 3.22Å; E699-I701 PolarHBondContact O-N 2.72Å; E699-P703 HydrophobicContact CG-CB 4.4Å; E699-P703 VanDerWaalsContact O-CD 3.29Å; E699-P703 WeakPolarHBondContact O-CD 3.29Å; E699-P703 VanDerWaalsContact O-CG 3.25Å; E699-P703 WeakPolarHBondContact O-CG 3.43Å; E699-L708 HydrophobicContact CB-CD2 4Å; E699-K712 IonicContact OE1-NZ 3.16Å; E699-K712 PolarHBondContact OE1-NZ 2.88Å; E699-Y736 PolarHBondContact OE2-OH 2.87Å |
| 700 | K | 95.6 | Very high | 95.1 | Very high | 176 Ų | 176 | 47.2 Ų | 47.2 | 77% | 0.765 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.6 | 172.3 | -74.3 | -179.1 | 179.5 | -170.3 | 0 | 114 | R696 K697 A698 | R696-K700 WeakPolarHBondContact O-CG 3.38Å; R696-K700 PolarHBondContact O-N 3.47Å; K697-K700 PolarHBondContact O-N 2.97Å; A698-K700 VanDerWaalsContact C-N 3.31Å; A698-K700 PolarHBondContact O-N 3.11Å |
| 701 | I | 94.6 | Very high | 95.1 | Very high | 70 Ų | 70 | 44.4 Ų | 44.4 | 36% | 0.359 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -51.4 | -179.6 | -65.4 | 172.5 | 0 | 0 | 0 | 110.5 | L672 Y675 A698 E699 | L672-I701 HydrophobicContact CB-CG2 4.16Å; Y675-I701 HydrophobicContact CD2-CD1 3.83Å; Y675-I701 HydrophobicContact CE2-CD1 3.52Å; A698-I701 WeakPolarHBondContact O-CB 3.47Å; A698-I701 PolarHBondContact O-N 3.35Å; E699-I701 PolarHBondContact O-N 2.72Å |
| 702 | D | 94 | Very high | 95.1 | Very high | 64 Ų | 64 | 45.2 Ų | 45.2 | 34% | 0.342 | 22% | 0.216 | S | C | . | . | trans | -151.9 | 94 | -178.3 | -179.2 | 5.2 | 0 | 0 | 0 | 109.8 | L672 A698 Q704 S705 L708 | L672-D702 HydrophobicContact CD1-CB 4.43Å; A698-D702 PolarHBondContact O-N 3.04Å; D702-Q704 VanDerWaalsContact C-N 3.26Å; D702-Q704 PolarHBondContact O-N 3.05Å; D702-Q704 PolarHBondContact OD1-N 2.94Å; D702-S705 PolarHBondContact O-N 3.45Å; D702-S705 PolarHBondContact OD1-N 2.87Å; D702-S705 WeakPolarHBondContact OD2-CB 3.39Å; D702-L708 WeakPolarHBondContact O-CD2 3.41Å | ||
| 703 | P | 93.8 | Very high | 95.1 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -30.3 | -179.4 | -17.8 | 26.4 | 0 | 0 | 0 | 113.8 | E699 S705 | E699-P703 HydrophobicContact CG-CB 4.4Å; E699-P703 VanDerWaalsContact O-CD 3.29Å; E699-P703 WeakPolarHBondContact O-CD 3.29Å; E699-P703 VanDerWaalsContact O-CG 3.25Å; E699-P703 WeakPolarHBondContact O-CG 3.43Å; P703-S705 VanDerWaalsContact C-N 3.35Å |
| 704 | Q | 93.1 | Very high | 95 | Very high | 116 Ų | 116 | 41.9 Ų | 41.9 | 54% | 0.542 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 6 | -174.6 | -67.8 | -173.7 | -9.4 | 0 | 0 | 112.5 | D702 Y752 H756 H762 | D702-Q704 VanDerWaalsContact C-N 3.26Å; D702-Q704 PolarHBondContact O-N 3.05Å; D702-Q704 PolarHBondContact OD1-N 2.94Å; Q704-Y752 PolarHBondContact O-OH 2.95Å; Q704-H756 PolarHBondContact OE1-CE1 2.88Å; Q704-H762 PolarHBondContact O-NE2 2.97Å; Q704-H762 VanDerWaalsContact O-NE2 3.1Å |
| 705 | S | 94.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | trans | -60.9 | 134.2 | -175.4 | -177 | 0 | 0 | 0 | 0 | 113.9 | L672 D702 P703 Q707 L708 H709 Y752 | L672-S705 WeakPolarHBondContact CD2-OG 3.47Å; D702-S705 PolarHBondContact O-N 3.45Å; D702-S705 PolarHBondContact OD1-N 2.87Å; D702-S705 WeakPolarHBondContact OD2-CB 3.39Å; P703-S705 VanDerWaalsContact C-N 3.35Å; S705-Q707 VanDerWaalsContact C-N 3.29Å; S705-Q707 PolarHBondContact O-N 3.19Å; S705-Q707 PolarHBondContact OG-N 3.37Å; S705-Q707 PolarHBondContact OG-OE1 2.94Å; S705-Q707 VanDerWaalsContact OG-OE1 3.04Å; S705-L708 PolarHBondContact O-N 2.8Å; S705-L708 VanDerWaalsContact O-N 3.1Å; S705-H709 PolarHBondContact O-N 3.42Å; S705-Y752 PolarHBondContact O-OH 3.29Å | ||
| 706 | P | 94.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58 | -37.7 | 174.6 | -23.1 | 30.7 | 0 | 0 | 0 | 113.7 | W710 Y752 P761 H762 A765 | P706-W710 PolarHBondContact O-N 3.44Å; P706-Y752 WeakPolarHBondContact CA-OH 3.46Å; P706-P761 WeakPolarHBondContact CB-O 3.44Å; P706-P761 HydrophobicContact CG-CB 4.08Å; P706-H762 HydrophobicContact CG-CB 4.46Å; P706-A765 HydrophobicContact CB-CB 3.67Å; P706-A765 WeakPolarHBondContact O-CB 3.44Å |
| 707 | Q | 93.7 | Very high | 94.7 | Very high | 62 Ų | 62 | 38.9 Ų | 38.9 | 29% | 0.29 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -72.8 | -33.9 | 178.9 | -65.2 | 87.2 | -7.8 | 0 | 0 | 111.7 | V676 S705 C711 R802 | V676-Q707 HydrophobicContact CG1-CB 4.2Å; V676-Q707 HydrophobicContact CG2-CB 4.05Å; S705-Q707 VanDerWaalsContact C-N 3.29Å; S705-Q707 PolarHBondContact O-N 3.19Å; S705-Q707 PolarHBondContact OG-N 3.37Å; S705-Q707 PolarHBondContact OG-OE1 2.94Å; S705-Q707 VanDerWaalsContact OG-OE1 3.04Å; Q707-C711 PolarHBondContact O-N 3.02Å; Q707-C711 VanDerWaalsContact O-N 3.09Å; Q707-C711 PolarHBondContact O-SG 3.14Å; Q707-R802 VanDerWaalsContact NE2-NH1 3.12Å |
| 708 | L | 94.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 175.6 | 179.1 | 58.2 | 0 | 0 | 0 | 110.7 | L695 A698 E699 D702 S705 W710 C711 K712 | L695-L708 HydrophobicContact CD2-CD1 3.74Å; A698-L708 HydrophobicContact CB-CD1 3.76Å; A698-L708 HydrophobicContact CB-CD2 4.48Å; E699-L708 HydrophobicContact CB-CD2 4Å; D702-L708 WeakPolarHBondContact O-CD2 3.41Å; S705-L708 PolarHBondContact O-N 2.8Å; S705-L708 VanDerWaalsContact O-N 3.1Å; L708-W710 VanDerWaalsContact C-N 3.33Å; L708-W710 PolarHBondContact O-N 3.23Å; L708-C711 PolarHBondContact O-N 3.39Å; L708-C711 VanDerWaalsContact O-N 3.13Å; L708-K712 HydrophobicContact CD1-CG 4.28Å; L708-K712 HydrophobicContact CG-CD 4.43Å; L708-K712 HydrophobicContact CG-CG 4.39Å; L708-K712 PolarHBondContact O-N 3.37Å |
| 709 | H | 95.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55 | -49.2 | 174.9 | -179.5 | 60.6 | 0 | 0 | 0 | 111.7 | S705 C711 K712 V713 Y748 N749 Y752 | S705-H709 PolarHBondContact O-N 3.42Å; H709-C711 VanDerWaalsContact C-N 3.35Å; H709-C711 PolarHBondContact O-N 3.43Å; H709-K712 PolarHBondContact O-N 3.39Å; H709-V713 WeakPolarHBondContact O-CG2 3.41Å; H709-V713 PolarHBondContact O-N 3.41Å; H709-Y748 AromaticContact CE1-CD1 3.78Å; H709-Y748 AromaticContact CE1-CE1 3.61Å; H709-Y748 AromaticContact ND1-CE1 3.67Å; H709-N749 PolarHBondContact NE2-OD1 3.14Å; H709-Y752 HydrophobicContact CB-CD1 4.28Å; H709-Y752 HydrophobicContact CB-CD2 4.49Å; H709-Y752 HydrophobicContact CB-CE1 3.82Å; H709-Y752 HydrophobicContact CB-CE2 4.06Å; H709-Y752 AromaticContact CD2-CD1 3.43Å; H709-Y752 VanDerWaalsContact CD2-CD1 3.43Å; H709-Y752 WeakPolarHBondContact CD2-CD1 3.34Å; H709-Y752 AromaticContact CD2-CE1 3.66Å; H709-Y752 AromaticContact CD2-CG 3.96Å; H709-Y752 AromaticContact CE1-CD1 3.9Å; H709-Y752 AromaticContact CE1-CG 3.65Å; H709-Y752 AromaticContact CG-CD1 3.64Å; H709-Y752 AromaticContact CG-CE1 3.68Å; H709-Y752 AromaticContact CG-CG 3.84Å; H709-Y752 AromaticContact CG-CZ 3.93Å; H709-Y752 AromaticContact ND1-CD1 3.97Å; H709-Y752 AromaticContact ND1-CD2 3.89Å; H709-Y752 AromaticContact ND1-CG 3.69Å; H709-Y752 AromaticContact NE2-CD1 3.6Å; H709-Y752 AromaticContact NE2-CG 3.83Å |
| 710 | W | 93.6 | Very high | 94 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55 | -46.8 | 173.9 | 175.9 | -96.9 | 0 | 0 | 0 | 112.7 | P706 L708 K714 E768 V769 F772 P811 | P706-W710 PolarHBondContact O-N 3.44Å; L708-W710 VanDerWaalsContact C-N 3.33Å; L708-W710 PolarHBondContact O-N 3.23Å; W710-K714 PolarHBondContact O-N 3.43Å; W710-E768 HydrophobicContact CE3-CB 3.85Å; W710-E768 HydrophobicContact CH2-CB 4.17Å; W710-E768 HydrophobicContact CZ3-CB 3.52Å; W710-E768 WeakPolarHBondContact CZ3-O 3.41Å; W710-V769 HydrophobicContact CD2-CG2 4.47Å; W710-V769 HydrophobicContact CE3-CB 4.35Å; W710-V769 HydrophobicContact CE3-CG2 3.48Å; W710-V769 VanDerWaalsContact CE3-CG2 3.48Å; W710-V769 HydrophobicContact CZ3-CB 4.45Å; W710-V769 HydrophobicContact CZ3-CG2 4.03Å; W710-F772 HydrophobicContact CH2-CB 3.82Å; W710-F772 HydrophobicContact CH2-CD2 4.42Å; W710-F772 HydrophobicContact CH2-CG 4.08Å; W710-F772 HydrophobicContact CZ3-CB 3.92Å; W710-F772 HydrophobicContact CZ3-CG 4.4Å; W710-P811 HydrophobicContact CH2-CB 4.19Å; W710-P811 HydrophobicContact CH2-CG 4.29Å; W710-P811 HydrophobicContact CZ2-CG 4.41Å |
| 711 | C | 95.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | 177.7 | -66.4 | 0 | 0 | 0 | 0 | 113 | F679 L695 Q707 L708 H709 K714 F715 | F679-C711 HydrophobicContact CD1-CB 3.63Å; F679-C711 WeakPolarHBondContact CD1-SG 3.41Å; F679-C711 HydrophobicContact CD2-CB 4.41Å; F679-C711 HydrophobicContact CE1-CB 3.74Å; F679-C711 HydrophobicContact CG-CB 3.99Å; F679-C711 HydrophobicContact CZ-CB 4.19Å; F679-C711 WeakPolarHBondContact CZ-O 3.43Å; L695-C711 HydrophobicContact CD2-CB 3.64Å; Q707-C711 PolarHBondContact O-N 3.02Å; Q707-C711 VanDerWaalsContact O-N 3.09Å; Q707-C711 PolarHBondContact O-SG 3.14Å; L708-C711 PolarHBondContact O-N 3.39Å; L708-C711 VanDerWaalsContact O-N 3.13Å; H709-C711 VanDerWaalsContact C-N 3.35Å; H709-C711 PolarHBondContact O-N 3.43Å; C711-K714 PolarHBondContact O-N 3.43Å; C711-F715 WeakPolarHBondContact O-CB 3.32Å; C711-F715 PolarHBondContact O-N 3.04Å |
| 712 | K | 95.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 38 Ų | 38 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 176.3 | -78.6 | -176.2 | 172.7 | -175.2 | 0 | 110.8 | L695 E699 L708 H709 K714 F715 F716 | L695-K712 HydrophobicContact CD2-CG 4.27Å; E699-K712 IonicContact OE1-NZ 3.16Å; E699-K712 PolarHBondContact OE1-NZ 2.88Å; L708-K712 HydrophobicContact CD1-CG 4.28Å; L708-K712 HydrophobicContact CG-CD 4.43Å; L708-K712 HydrophobicContact CG-CG 4.39Å; L708-K712 PolarHBondContact O-N 3.37Å; H709-K712 PolarHBondContact O-N 3.39Å; K712-K714 PolarHBondContact O-N 2.7Å; K712-F715 WeakPolarHBondContact O-CB 3.31Å; K712-F715 PolarHBondContact O-N 3.01Å; K712-F715 VanDerWaalsContact O-N 3.11Å; K712-F716 HydrophobicContact CB-CE2 4.14Å; K712-F716 HydrophobicContact CB-CZ 4.18Å; K712-F716 WeakPolarHBondContact O-CD1 3.44Å; K712-F716 WeakPolarHBondContact O-CD2 3.2Å; K712-F716 WeakPolarHBondContact O-CG 3.27Å; K712-F716 PolarHBondContact O-N 3.12Å |
| 713 | V | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 179.5 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | H709 F715 F716 K717 Y748 V769 L773 | H709-V713 WeakPolarHBondContact O-CG2 3.41Å; H709-V713 PolarHBondContact O-N 3.41Å; V713-F715 VanDerWaalsContact C-N 3.31Å; V713-F715 PolarHBondContact O-N 3.04Å; V713-F716 PolarHBondContact O-N 3.48Å; V713-K717 WeakPolarHBondContact O-CB 3.34Å; V713-K717 PolarHBondContact O-N 2.94Å; V713-Y748 HydrophobicContact CG2-CD1 3.99Å; V713-Y748 HydrophobicContact CG2-CE1 4.14Å; V713-V769 HydrophobicContact CB-CG1 4.15Å; V713-V769 HydrophobicContact CB-CG2 4.35Å; V713-V769 HydrophobicContact CG1-CG1 3.69Å; V713-V769 HydrophobicContact CG2-CG1 4.07Å; V713-V769 HydrophobicContact CG2-CG2 4.36Å; V713-L773 HydrophobicContact CG1-CD1 4.12Å; V713-L773 HydrophobicContact CG1-CD2 3.84Å; V713-L773 HydrophobicContact CG1-CG 4.17Å |
| 714 | K | 94.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -43.8 | 171.6 | -84.9 | -174.2 | 167.4 | -174.8 | 0 | 112.4 | F679 E680 Y683 W710 C711 K712 K717 Y718 F772 | F679-K714 HydrophobicContact CE1-CB 4.1Å; F679-K714 HydrophobicContact CE1-CD 4.3Å; F679-K714 HydrophobicContact CZ-CB 4.1Å; E680-K714 IonicContact OE1-NZ 2.73Å; E680-K714 PolarHBondContact OE1-NZ 3.35Å; E680-K714 IonicContact OE2-NZ 2.7Å; E680-K714 PolarHBondContact OE2-NZ 2.7Å; E680-K714 VanDerWaalsContact OE2-NZ 3.17Å; Y683-K714 HydrophobicContact CE2-CB 4.28Å; W710-K714 PolarHBondContact O-N 3.43Å; C711-K714 PolarHBondContact O-N 3.43Å; K712-K714 PolarHBondContact O-N 2.7Å; K714-K717 PolarHBondContact O-N 3.32Å; K714-Y718 VanDerWaalsContact O-CB 3.28Å; K714-Y718 WeakPolarHBondContact O-CB 3.21Å; K714-Y718 PolarHBondContact O-N 3.46Å; K714-F772 HydrophobicContact CG-CE1 4.02Å; K714-F772 HydrophobicContact CG-CZ 4.05Å |
| 715 | F | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -46.5 | 178.7 | -174.6 | -112.9 | 0 | 0 | 0 | 111.5 | F679 V688 M691 L692 L695 C711 K712 V713 K717 Y718 T719 V732 Y736 I739 | F679-F715 HydrophobicContact CE2-CB 3.81Å; F679-F715 HydrophobicContact CE2-CD2 4.03Å; F679-F715 HydrophobicContact CE2-CG 4.26Å; F679-F715 HydrophobicContact CZ-CB 3.93Å; V688-F715 HydrophobicContact CG1-CE2 3.99Å; V688-F715 HydrophobicContact CG1-CZ 4.08Å; M691-F715 HydrophobicContact CB-CD2 3.93Å; M691-F715 HydrophobicContact CB-CE2 3.85Å; M691-F715 HydrophobicContact SD-CD2 3.99Å; M691-F715 HydrophobicContact SD-CE2 4.22Å; L692-F715 HydrophobicContact CB-CZ 4.23Å; L692-F715 HydrophobicContact CD1-CE1 4.35Å; L695-F715 HydrophobicContact CD1-CB 3.7Å; L695-F715 HydrophobicContact CD1-CD1 3.65Å; L695-F715 HydrophobicContact CD1-CD2 4.19Å; L695-F715 HydrophobicContact CD1-CE1 4.32Å; L695-F715 HydrophobicContact CD1-CG 3.57Å; C711-F715 WeakPolarHBondContact O-CB 3.32Å; C711-F715 PolarHBondContact O-N 3.04Å; K712-F715 WeakPolarHBondContact O-CB 3.31Å; K712-F715 PolarHBondContact O-N 3.01Å; K712-F715 VanDerWaalsContact O-N 3.11Å; V713-F715 VanDerWaalsContact C-N 3.31Å; V713-F715 PolarHBondContact O-N 3.04Å; F715-K717 VanDerWaalsContact C-N 3.31Å; F715-K717 PolarHBondContact O-N 3.37Å; F715-Y718 WeakPolarHBondContact O-CB 3.33Å; F715-Y718 PolarHBondContact O-N 3.48Å; F715-T719 HydrophobicContact CD1-CG2 4.43Å; F715-T719 HydrophobicContact CD2-CG2 4.49Å; F715-T719 HydrophobicContact CE1-CG2 4.13Å; F715-T719 HydrophobicContact CE2-CG2 4.19Å; F715-T719 HydrophobicContact CZ-CG2 4Å; F715-T719 WeakPolarHBondContact O-CG2 3.49Å; F715-T719 PolarHBondContact O-N 3.4Å; F715-T719 PolarHBondContact O-OG1 3.49Å; F715-V732 HydrophobicContact CE1-CG1 4.09Å; F715-V732 HydrophobicContact CZ-CG1 4.13Å; F715-V732 HydrophobicContact CZ-CG2 4.3Å; F715-Y736 HydrophobicContact CD1-CD2 4.38Å; F715-Y736 HydrophobicContact CE1-CD2 4.16Å; F715-Y736 HydrophobicContact CE1-CE2 4.48Å; F715-I739 HydrophobicContact CD1-CD1 4.04Å; F715-I739 HydrophobicContact CE1-CD1 3.67Å |
| 716 | F | 94.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -34.2 | 178.6 | -56.9 | -24.5 | 0 | 0 | 0 | 113 | K712 V713 T719 R720 Y736 E738 I739 L745 Y748 | K712-F716 HydrophobicContact CB-CE2 4.14Å; K712-F716 HydrophobicContact CB-CZ 4.18Å; K712-F716 WeakPolarHBondContact O-CD1 3.44Å; K712-F716 WeakPolarHBondContact O-CD2 3.2Å; K712-F716 WeakPolarHBondContact O-CG 3.27Å; K712-F716 PolarHBondContact O-N 3.12Å; V713-F716 PolarHBondContact O-N 3.48Å; F716-T719 PolarHBondContact O-OG1 3.5Å; F716-T719 VanDerWaalsContact O-OG1 3.11Å; F716-R720 WeakPolarHBondContact O-CG 3.42Å; F716-Y736 HydrophobicContact CE1-CD1 4.03Å; F716-Y736 AromaticContact CE1-CD2 3.9Å; F716-Y736 HydrophobicContact CE1-CD2 3.9Å; F716-Y736 HydrophobicContact CE1-CE2 4.46Å; F716-Y736 AromaticContact CE1-CG 3.68Å; F716-Y736 HydrophobicContact CE1-CG 3.68Å; F716-Y736 AromaticContact CZ-CD1 3.95Å; F716-Y736 HydrophobicContact CZ-CD1 3.95Å; F716-Y736 HydrophobicContact CZ-CE1 4.44Å; F716-Y736 HydrophobicContact CZ-CG 4.08Å; F716-E738 HydrophobicContact CE2-CB 4.1Å; F716-E738 HydrophobicContact CE2-CG 4.4Å; F716-E738 HydrophobicContact CZ-CB 4.11Å; F716-E738 HydrophobicContact CZ-CG 4.45Å; F716-I739 HydrophobicContact CD1-CD1 3.78Å; F716-I739 HydrophobicContact CD1-CG1 3.57Å; F716-I739 HydrophobicContact CE1-CD1 4.06Å; F716-I739 HydrophobicContact CE1-CG1 3.94Å; F716-I739 HydrophobicContact CG-CG1 4.43Å; F716-L745 HydrophobicContact CB-CD1 4.37Å; F716-L745 HydrophobicContact CB-CD2 3.59Å; F716-L745 HydrophobicContact CD2-CD2 3.89Å; F716-L745 HydrophobicContact CG-CD2 4.22Å; F716-Y748 HydrophobicContact CE2-CE1 4.08Å; F716-Y748 HydrophobicContact CE2-CE2 4.32Å; F716-Y748 AromaticContact CE2-CZ 3.92Å |
| 717 | K | 93 | Very high | 91.5 | Very high | 54 Ų | 54 | 47.9 Ų | 47.9 | 24% | 0.235 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69 | -45.9 | 171.6 | -174.8 | 173.1 | 178.8 | 177.1 | 0 | 110.7 | V713 K714 F715 T719 R720 D721 L745 F772 L773 | V713-K717 WeakPolarHBondContact O-CB 3.34Å; V713-K717 PolarHBondContact O-N 2.94Å; K714-K717 PolarHBondContact O-N 3.32Å; F715-K717 VanDerWaalsContact C-N 3.31Å; F715-K717 PolarHBondContact O-N 3.37Å; K717-T719 VanDerWaalsContact C-N 3.33Å; K717-T719 PolarHBondContact O-N 3.07Å; K717-R720 WeakPolarHBondContact O-CB 3.15Å; K717-R720 PolarHBondContact O-N 3.47Å; K717-D721 WeakPolarHBondContact CG-OD2 3.32Å; K717-D721 VanDerWaalsContact O-CG 3.31Å; K717-D721 PolarHBondContact O-N 2.91Å; K717-L745 HydrophobicContact CB-CD1 4.07Å; K717-F772 HydrophobicContact CB-CE1 4.38Å; K717-F772 HydrophobicContact CD-CD1 4.33Å; K717-F772 HydrophobicContact CD-CE1 3.48Å; K717-F772 VanDerWaalsContact CD-CE1 3.48Å; K717-F772 HydrophobicContact CD-CZ 3.64Å; K717-F772 PolarHBondContact NZ-O 3.25Å; K717-L773 HydrophobicContact CD-CD2 4.34Å |
| 718 | Y | 93.1 | Very high | 91.3 | Very high | 31 Ų | 31 | 47 Ų | 47 | 12% | 0.122 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -42.6 | 177.9 | -174 | -86.1 | 0 | 0 | 0 | 113.1 | Y683 G686 V688 M691 K714 F715 R720 D721 H722 | Y683-Y718 HydrophobicContact CD2-CD2 4.06Å; Y683-Y718 HydrophobicContact CD2-CG 4.44Å; Y683-Y718 AromaticContact CE2-CD2 3.55Å; Y683-Y718 HydrophobicContact CE2-CD2 3.55Å; Y683-Y718 HydrophobicContact CE2-CE2 4.48Å; Y683-Y718 HydrophobicContact CE2-CG 4Å; Y683-Y718 AromaticContact CZ-CD2 3.99Å; G686-Y718 VanDerWaalsContact CA-OH 3.28Å; G686-Y718 WeakPolarHBondContact CA-OH 3.25Å; V688-Y718 HydrophobicContact CG2-CE1 3.92Å; M691-Y718 HydrophobicContact CE-CD1 4.23Å; M691-Y718 HydrophobicContact CE-CE1 3.82Å; M691-Y718 HydrophobicContact CE-CE2 4.33Å; K714-Y718 VanDerWaalsContact O-CB 3.28Å; K714-Y718 WeakPolarHBondContact O-CB 3.21Å; K714-Y718 PolarHBondContact O-N 3.46Å; F715-Y718 WeakPolarHBondContact O-CB 3.33Å; F715-Y718 PolarHBondContact O-N 3.48Å; Y718-R720 PolarHBondContact O-N 2.88Å; Y718-D721 PolarHBondContact O-N 3.36Å; Y718-H722 AromaticContact CD2-CD2 3.48Å; Y718-H722 VanDerWaalsContact CD2-CD2 3.48Å; Y718-H722 WeakPolarHBondContact CD2-CD2 3.42Å; Y718-H722 HydrophobicContact CE1-CB 4.15Å; Y718-H722 AromaticContact CE1-CD2 3.9Å; Y718-H722 AromaticContact CE2-CD2 3.24Å; Y718-H722 WeakPolarHBondContact CE2-CD2 3.44Å; Y718-H722 AromaticContact CE2-NE2 3.66Å; Y718-H722 AromaticContact CG-CD2 3.9Å; Y718-H722 AromaticContact CZ-CD2 3.45Å; Y718-H722 VanDerWaalsContact CZ-CD2 3.45Å; Y718-H722 WeakPolarHBondContact O-CB 3.43Å; Y718-H722 PolarHBondContact O-N 3.34Å |
| 719 | T | 90.7 | Very high | 90.9 | Very high | 17 Ų | 17 | 51.7 Ų | 51.7 | 10% | 0.104 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.9 | -17.5 | 178.6 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | F715 F716 K717 I724 V732 I739 | F715-T719 HydrophobicContact CD1-CG2 4.43Å; F715-T719 HydrophobicContact CD2-CG2 4.49Å; F715-T719 HydrophobicContact CE1-CG2 4.13Å; F715-T719 HydrophobicContact CE2-CG2 4.19Å; F715-T719 HydrophobicContact CZ-CG2 4Å; F715-T719 WeakPolarHBondContact O-CG2 3.49Å; F715-T719 PolarHBondContact O-N 3.4Å; F715-T719 PolarHBondContact O-OG1 3.49Å; F716-T719 PolarHBondContact O-OG1 3.5Å; F716-T719 VanDerWaalsContact O-OG1 3.11Å; K717-T719 VanDerWaalsContact C-N 3.33Å; K717-T719 PolarHBondContact O-N 3.07Å; T719-I724 HydrophobicContact CG2-CD1 3.41Å; T719-I724 VanDerWaalsContact CG2-CD1 3.41Å; T719-V732 HydrophobicContact CG2-CG1 4.36Å; T719-I739 HydrophobicContact CG2-CD1 4.17Å |
| 720 | R | 89 | Confident | 90.5 | Very high | 104 Ų | 104 | 57.6 Ų | 57.6 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -84.3 | -43.4 | 171.5 | -66.9 | 169.9 | -171 | -153.5 | -5.2 | 111.6 | F716 K717 Y718 H722 V743 | F716-R720 WeakPolarHBondContact O-CG 3.42Å; K717-R720 WeakPolarHBondContact O-CB 3.15Å; K717-R720 PolarHBondContact O-N 3.47Å; Y718-R720 PolarHBondContact O-N 2.88Å; R720-H722 VanDerWaalsContact C-N 3.31Å; R720-V743 PolarHBondContact NH2-O 3.18Å |
| 721 | D | 88.8 | Confident | 90.4 | Very high | 94 Ų | 94 | 59.5 Ų | 59.5 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -72.9 | -29.5 | -177.4 | -61.7 | -13.7 | 0 | 0 | 0 | 111.3 | K717 Y718 | K717-D721 WeakPolarHBondContact CG-OD2 3.32Å; K717-D721 VanDerWaalsContact O-CG 3.31Å; K717-D721 PolarHBondContact O-N 2.91Å; Y718-D721 PolarHBondContact O-N 3.36Å |
| 722 | H | 89.5 | Confident | 90.1 | Very high | 95 Ų | 95 | 59.4 Ų | 59.4 | 44% | 0.44 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -122.1 | 97.7 | 176.8 | -57 | -65.1 | 0 | 0 | 0 | 110 | Y718 R720 I724 | Y718-H722 AromaticContact CD2-CD2 3.48Å; Y718-H722 VanDerWaalsContact CD2-CD2 3.48Å; Y718-H722 WeakPolarHBondContact CD2-CD2 3.42Å; Y718-H722 HydrophobicContact CE1-CB 4.15Å; Y718-H722 AromaticContact CE1-CD2 3.9Å; Y718-H722 AromaticContact CE2-CD2 3.24Å; Y718-H722 WeakPolarHBondContact CE2-CD2 3.44Å; Y718-H722 AromaticContact CE2-NE2 3.66Å; Y718-H722 AromaticContact CG-CD2 3.9Å; Y718-H722 AromaticContact CZ-CD2 3.45Å; Y718-H722 VanDerWaalsContact CZ-CD2 3.45Å; Y718-H722 WeakPolarHBondContact O-CB 3.43Å; Y718-H722 PolarHBondContact O-N 3.34Å; R720-H722 VanDerWaalsContact C-N 3.31Å; H722-I724 PolarHBondContact O-N 2.84Å |
| 723 | P | 81.5 | Confident | 89.8 | Confident | 111 Ų | 111 | 59.6 Ų | 59.6 | 72% | 0.721 | 31% | 0.306 | S | S | * | . | trans | -56.7 | 126.2 | 178.1 | -21.9 | 31.3 | 0 | 0 | 0 | 110.9 | ||||
| 724 | I | 84.4 | Confident | 89.5 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 14% | 0.138 | 34% | 0.344 | C | S | . | . | trans | -100 | 136.2 | 177.7 | -57.6 | 159.1 | 0 | 0 | 0 | 107.5 | V688 T719 H722 V728 F729 | V688-I724 HydrophobicContact CG1-CD1 3.64Å; V688-I724 HydrophobicContact CG1-CG1 4.45Å; V688-I724 HydrophobicContact CG2-CD1 4.17Å; V688-I724 HydrophobicContact CG2-CG1 4.29Å; T719-I724 HydrophobicContact CG2-CD1 3.41Å; T719-I724 VanDerWaalsContact CG2-CD1 3.41Å; H722-I724 PolarHBondContact O-N 2.84Å; I724-V728 HydrophobicContact CG2-CB 3.65Å; I724-V728 HydrophobicContact CG2-CG1 3.49Å; I724-V728 VanDerWaalsContact CG2-CG1 3.49Å; I724-F729 HydrophobicContact CB-CB 4.49Å; I724-F729 HydrophobicContact CG2-CB 4.16Å; I724-F729 WeakPolarHBondContact O-CB 3.46Å; I724-F729 WeakPolarHBondContact O-CD2 3.36Å | ||
| 725 | E | 84.1 | Confident | 89.3 | Confident | 168 Ų | 168 | 68 Ų | 68 | 79% | 0.785 | 35% | 0.348 | S | S | * | . | trans | -120.4 | 161.3 | -178.2 | -64.5 | -176.9 | 176.7 | 0 | 0 | 112.5 | ||||
| 726 | G | 89 | Confident | 89.1 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | -147.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V728 F729 E730 | G726-V728 PolarHBondContact O-N 3.36Å; G726-V728 VanDerWaalsContact O-N 3.11Å; G726-F729 WeakPolarHBondContact O-CB 3.38Å; G726-F729 PolarHBondContact O-N 3.02Å; G726-E730 PolarHBondContact O-N 3.36Å |
| 727 | I | 89.8 | Confident | 88.8 | Confident | 124 Ų | 124 | 70 Ų | 70 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -55.6 | -33.4 | -175.5 | -60.8 | 170.2 | 0 | 0 | 0 | 111.9 | F729 E730 I731 | I727-F729 VanDerWaalsContact C-N 3.32Å; I727-F729 PolarHBondContact O-N 3.29Å; I727-E730 PolarHBondContact O-N 3.3Å; I727-I731 HydrophobicContact CG2-CD1 3.81Å; I727-I731 HydrophobicContact CG2-CG1 4.35Å; I727-I731 WeakPolarHBondContact O-CG1 3.47Å; I727-I731 PolarHBondContact O-N 2.77Å; I727-I731 VanDerWaalsContact O-N 3.09Å |
| 728 | V | 88.5 | Confident | 88.5 | Confident | 45 Ų | 45 | 69.7 Ų | 69.7 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 179.5 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | V688 L689 I724 G726 V732 | V688-V728 HydrophobicContact CB-CG1 4.27Å; V688-V728 HydrophobicContact CG1-CG1 4.06Å; L689-V728 HydrophobicContact CD1-CG2 4.33Å; L689-V728 HydrophobicContact CD2-CG1 3.86Å; L689-V728 HydrophobicContact CG-CG1 3.97Å; L689-V728 HydrophobicContact CG-CG2 4.48Å; I724-V728 HydrophobicContact CG2-CB 3.65Å; I724-V728 HydrophobicContact CG2-CG1 3.49Å; I724-V728 VanDerWaalsContact CG2-CG1 3.49Å; G726-V728 PolarHBondContact O-N 3.36Å; G726-V728 VanDerWaalsContact O-N 3.11Å; V728-V732 HydrophobicContact CG1-CG2 4.42Å; V728-V732 WeakPolarHBondContact O-CB 3.49Å; V728-V732 WeakPolarHBondContact O-CG2 3.49Å; V728-V732 PolarHBondContact O-N 3.37Å; V728-V732 VanDerWaalsContact O-N 3.07Å |
| 729 | F | 87 | Confident | 88 | Confident | 99 Ų | 99 | 69.2 Ų | 69.2 | 43% | 0.434 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 177.3 | 179.2 | -110.3 | 0 | 0 | 0 | 111.8 | I724 G726 I727 V732 N733 | I724-F729 HydrophobicContact CB-CB 4.49Å; I724-F729 HydrophobicContact CG2-CB 4.16Å; I724-F729 WeakPolarHBondContact O-CB 3.46Å; I724-F729 WeakPolarHBondContact O-CD2 3.36Å; G726-F729 WeakPolarHBondContact O-CB 3.38Å; G726-F729 PolarHBondContact O-N 3.02Å; I727-F729 VanDerWaalsContact C-N 3.32Å; I727-F729 PolarHBondContact O-N 3.29Å; F729-V732 PolarHBondContact O-N 3.08Å; F729-N733 VanDerWaalsContact CD1-ND2 3.32Å; F729-N733 WeakPolarHBondContact CD1-ND2 3.47Å; F729-N733 WeakPolarHBondContact CE1-ND2 3.4Å; F729-N733 VanDerWaalsContact CE2-ND2 3.26Å; F729-N733 WeakPolarHBondContact CE2-ND2 3.18Å; F729-N733 WeakPolarHBondContact CZ-ND2 3.47Å; F729-N733 WeakPolarHBondContact O-CB 3.42Å; F729-N733 PolarHBondContact O-N 3.15Å; F729-N733 PolarHBondContact O-ND2 2.99Å |
| 730 | E | 88.7 | Confident | 87.4 | Confident | 128 Ų | 128 | 75.4 Ų | 75.4 | 60% | 0.598 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.7 | -50.7 | 177.3 | -66.3 | 177.4 | 173.8 | 0 | 0 | 111.4 | G726 I727 V732 N733 E734 | G726-E730 PolarHBondContact O-N 3.36Å; I727-E730 PolarHBondContact O-N 3.3Å; E730-V732 VanDerWaalsContact C-N 3.32Å; E730-V732 PolarHBondContact O-N 3.4Å; E730-N733 PolarHBondContact O-N 3.03Å; E730-E734 WeakPolarHBondContact O-CB 3.29Å; E730-E734 PolarHBondContact O-N 3.13Å |
| 731 | I | 90.7 | Very high | 87.3 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 178.8 | -66.6 | 169.5 | 0 | 0 | 0 | 111.3 | L689 L692 I727 A735 | L689-I731 HydrophobicContact CD2-CB 4.5Å; L689-I731 HydrophobicContact CD2-CD1 4.42Å; L689-I731 HydrophobicContact CD2-CG2 4.16Å; L692-I731 HydrophobicContact CD2-CG2 3.98Å; I727-I731 HydrophobicContact CG2-CD1 3.81Å; I727-I731 HydrophobicContact CG2-CG1 4.35Å; I727-I731 WeakPolarHBondContact O-CG1 3.47Å; I727-I731 PolarHBondContact O-N 2.77Å; I727-I731 VanDerWaalsContact O-N 3.09Å; I731-A735 WeakPolarHBondContact O-CB 3.42Å; I731-A735 PolarHBondContact O-N 3.11Å |
| 732 | V | 90.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 80.6 Ų | 80.6 | 1% | 0.006 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.1 | -42.2 | -178.7 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | V688 L692 F715 T719 V728 F729 E730 A735 Y736 I739 | V688-V732 HydrophobicContact CG1-CG2 3.84Å; L692-V732 HydrophobicContact CD2-CG2 4.14Å; F715-V732 HydrophobicContact CE1-CG1 4.09Å; F715-V732 HydrophobicContact CZ-CG1 4.13Å; F715-V732 HydrophobicContact CZ-CG2 4.3Å; T719-V732 HydrophobicContact CG2-CG1 4.36Å; V728-V732 HydrophobicContact CG1-CG2 4.42Å; V728-V732 WeakPolarHBondContact O-CB 3.49Å; V728-V732 WeakPolarHBondContact O-CG2 3.49Å; V728-V732 PolarHBondContact O-N 3.37Å; V728-V732 VanDerWaalsContact O-N 3.07Å; F729-V732 PolarHBondContact O-N 3.08Å; E730-V732 VanDerWaalsContact C-N 3.32Å; E730-V732 PolarHBondContact O-N 3.4Å; V732-A735 PolarHBondContact O-N 3.29Å; V732-Y736 PolarHBondContact O-N 3.13Å; V732-I739 HydrophobicContact CG1-CD1 3.37Å; V732-I739 HydrophobicContact CG1-CG2 4.36Å |
| 733 | N | 88.2 | Confident | 86.9 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 11% | 0.112 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.1 | -34.7 | 177.2 | -75.3 | -22.6 | 0 | 0 | 0 | 113 | F729 E730 A735 I739 R740 | F729-N733 VanDerWaalsContact CD1-ND2 3.32Å; F729-N733 WeakPolarHBondContact CD1-ND2 3.47Å; F729-N733 WeakPolarHBondContact CE1-ND2 3.4Å; F729-N733 VanDerWaalsContact CE2-ND2 3.26Å; F729-N733 WeakPolarHBondContact CE2-ND2 3.18Å; F729-N733 WeakPolarHBondContact CZ-ND2 3.47Å; F729-N733 WeakPolarHBondContact O-CB 3.42Å; F729-N733 PolarHBondContact O-N 3.15Å; F729-N733 PolarHBondContact O-ND2 2.99Å; E730-N733 PolarHBondContact O-N 3.03Å; N733-A735 VanDerWaalsContact C-N 3.29Å; N733-I739 WeakPolarHBondContact OD1-CG2 3.44Å; N733-R740 HydrophobicContact CB-CB 4.22Å |
| 734 | E | 90.4 | Very high | 87.4 | Confident | 170 Ų | 170 | 76.8 Ų | 76.8 | 79% | 0.794 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.7 | -37.9 | 173 | -170.6 | -174.7 | 171.7 | 0 | 0 | 110.7 | E730 | E730-E734 WeakPolarHBondContact O-CB 3.29Å; E730-E734 PolarHBondContact O-N 3.13Å |
| 735 | A | 89.9 | Confident | 87.8 | Confident | 17 Ų | 17 | 76 Ų | 76 | 14% | 0.14 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.9 | -36.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L692 I731 V732 N733 | L692-A735 HydrophobicContact CD1-CB 3.82Å; L692-A735 HydrophobicContact CD2-CB 3.89Å; L692-A735 HydrophobicContact CG-CB 4.39Å; I731-A735 WeakPolarHBondContact O-CB 3.42Å; I731-A735 PolarHBondContact O-N 3.11Å; V732-A735 PolarHBondContact O-N 3.29Å; N733-A735 VanDerWaalsContact C-N 3.29Å |
| 736 | Y | 90.6 | Very high | 88.3 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 2% | 0.02 | 36% | 0.36 | C | S | . | . | trans | -131 | 107.2 | 179.5 | -74.3 | -63.3 | 0 | 0 | 0 | 111.5 | L692 L695 E699 F715 F716 V732 E738 I739 | L692-Y736 HydrophobicContact CD1-CD2 3.82Å; L692-Y736 HydrophobicContact CD1-CE2 3.52Å; L695-Y736 HydrophobicContact CB-CE2 4.44Å; L695-Y736 HydrophobicContact CD1-CE2 4.09Å; E699-Y736 PolarHBondContact OE2-OH 2.87Å; F715-Y736 HydrophobicContact CD1-CD2 4.38Å; F715-Y736 HydrophobicContact CE1-CD2 4.16Å; F715-Y736 HydrophobicContact CE1-CE2 4.48Å; F716-Y736 HydrophobicContact CE1-CD1 4.03Å; F716-Y736 AromaticContact CE1-CD2 3.9Å; F716-Y736 HydrophobicContact CE1-CD2 3.9Å; F716-Y736 HydrophobicContact CE1-CE2 4.46Å; F716-Y736 AromaticContact CE1-CG 3.68Å; F716-Y736 HydrophobicContact CE1-CG 3.68Å; F716-Y736 AromaticContact CZ-CD1 3.95Å; F716-Y736 HydrophobicContact CZ-CD1 3.95Å; F716-Y736 HydrophobicContact CZ-CE1 4.44Å; F716-Y736 HydrophobicContact CZ-CG 4.08Å; V732-Y736 PolarHBondContact O-N 3.13Å; Y736-E738 PolarHBondContact O-N 2.85Å; Y736-I739 HydrophobicContact CD2-CD1 4.42Å; Y736-I739 PolarHBondContact O-N 3.49Å; Y736-I739 VanDerWaalsContact O-N 3.12Å | ||
| 737 | A | 87.8 | Confident | 88.5 | Confident | 39 Ų | 39 | 73.2 Ų | 73.2 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.6 | -30.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I739 R740 D741 | A737-I739 PolarHBondContact O-N 3.02Å; A737-R740 PolarHBondContact O-N 3.19Å; A737-R740 VanDerWaalsContact O-N 3.15Å; A737-D741 WeakPolarHBondContact O-CB 3.45Å; A737-D741 VanDerWaalsContact O-CG 3.25Å; A737-D741 PolarHBondContact O-N 3.41Å |
| 738 | E | 87.1 | Confident | 88.7 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -29 | 178.7 | -60 | 92 | 151.3 | 0 | 0 | 113.3 | F716 Y736 R742 V743 Y748 | F716-E738 HydrophobicContact CE2-CB 4.1Å; F716-E738 HydrophobicContact CE2-CG 4.4Å; F716-E738 HydrophobicContact CZ-CB 4.11Å; F716-E738 HydrophobicContact CZ-CG 4.45Å; Y736-E738 PolarHBondContact O-N 2.85Å; E738-R742 PolarHBondContact O-N 3.17Å; E738-V743 HydrophobicContact CB-CB 4.28Å; E738-V743 HydrophobicContact CB-CG2 4.17Å; E738-V743 HydrophobicContact CG-CG2 4.35Å; E738-V743 PolarHBondContact O-N 2.91Å; E738-V743 VanDerWaalsContact O-N 3.07Å; E738-Y748 HydrophobicContact CG-CD2 4.27Å; E738-Y748 HydrophobicContact CG-CE2 3.94Å |
| 739 | I | 81.4 | Confident | 89 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -77.8 | -47.9 | 175.4 | -59.7 | 175.7 | 0 | 0 | 0 | 109.6 | F715 F716 T719 V732 N733 Y736 A737 D741 R742 | F715-I739 HydrophobicContact CD1-CD1 4.04Å; F715-I739 HydrophobicContact CE1-CD1 3.67Å; F716-I739 HydrophobicContact CD1-CD1 3.78Å; F716-I739 HydrophobicContact CD1-CG1 3.57Å; F716-I739 HydrophobicContact CE1-CD1 4.06Å; F716-I739 HydrophobicContact CE1-CG1 3.94Å; F716-I739 HydrophobicContact CG-CG1 4.43Å; T719-I739 HydrophobicContact CG2-CD1 4.17Å; V732-I739 HydrophobicContact CG1-CD1 3.37Å; V732-I739 HydrophobicContact CG1-CG2 4.36Å; N733-I739 WeakPolarHBondContact OD1-CG2 3.44Å; Y736-I739 HydrophobicContact CD2-CD1 4.42Å; Y736-I739 PolarHBondContact O-N 3.49Å; Y736-I739 VanDerWaalsContact O-N 3.12Å; A737-I739 PolarHBondContact O-N 3.02Å; I739-D741 VanDerWaalsContact C-N 3.34Å; I739-D741 PolarHBondContact O-N 2.92Å; I739-R742 PolarHBondContact O-N 3.14Å |
| 740 | R | 79.7 | Confident | 89.4 | Confident | 148 Ų | 148 | 66.4 Ų | 66.4 | 56% | 0.558 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.6 | -47.2 | 177.8 | -175.9 | -170.6 | 66.4 | -153.7 | -7.3 | 111.6 | N733 A737 R742 | N733-R740 HydrophobicContact CB-CB 4.22Å; A737-R740 PolarHBondContact O-N 3.19Å; A737-R740 VanDerWaalsContact O-N 3.15Å; R740-R742 PolarHBondContact O-N 3.49Å |
| 741 | D | 86 | Confident | 89.7 | Confident | 93 Ų | 93 | 62.6 Ų | 62.6 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 3 | -173.8 | -55.4 | -21.5 | 0 | 0 | 0 | 111.8 | A737 I739 V743 | A737-D741 WeakPolarHBondContact O-CB 3.45Å; A737-D741 VanDerWaalsContact O-CG 3.25Å; A737-D741 PolarHBondContact O-N 3.41Å; I739-D741 VanDerWaalsContact C-N 3.34Å; I739-D741 PolarHBondContact O-N 2.92Å; D741-V743 HydrophobicContact CB-CG2 4.23Å; D741-V743 PolarHBondContact O-N 2.86Å |
| 742 | R | 83.6 | Confident | 89.9 | Confident | 213 Ų | 213 | 60.2 Ų | 60.2 | 80% | 0.804 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 43.6 | -179.7 | -64.3 | -172.2 | 175.1 | -163.9 | -1 | 113.3 | E738 I739 R740 D744 | E738-R742 PolarHBondContact O-N 3.17Å; I739-R742 PolarHBondContact O-N 3.14Å; R740-R742 PolarHBondContact O-N 3.49Å; R742-D744 PolarHBondContact O-N 2.71Å |
| 743 | V | 86.9 | Confident | 90.1 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 30% | 0.297 | 31% | 0.307 | S | S | . | . | trans | -54.9 | 133 | -175.6 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | R720 E738 D741 L745 | R720-V743 PolarHBondContact NH2-O 3.18Å; E738-V743 HydrophobicContact CB-CB 4.28Å; E738-V743 HydrophobicContact CB-CG2 4.17Å; E738-V743 HydrophobicContact CG-CG2 4.35Å; E738-V743 PolarHBondContact O-N 2.91Å; E738-V743 VanDerWaalsContact O-N 3.07Å; D741-V743 HydrophobicContact CB-CG2 4.23Å; D741-V743 PolarHBondContact O-N 2.86Å; V743-L745 PolarHBondContact O-N 3.28Å; V743-L745 VanDerWaalsContact O-N 3.14Å | ||
| 744 | D | 92.5 | Very high | 90.4 | Very high | 77 Ų | 77 | 67.6 Ų | 67.6 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | trans | -58.2 | 121.1 | 175.2 | 171.4 | 44.7 | 0 | 0 | 0 | 111.4 | R742 K746 S747 Y748 | R742-D744 PolarHBondContact O-N 2.71Å; D744-K746 VanDerWaalsContact C-N 3.28Å; D744-K746 PolarHBondContact O-N 3.06Å; D744-K746 PolarHBondContact OD1-N 3.11Å; D744-S747 PolarHBondContact O-N 2.94Å; D744-S747 VanDerWaalsContact OD2-CB 3.29Å; D744-S747 WeakPolarHBondContact OD2-CB 3.41Å; D744-S747 PolarHBondContact OD2-N 3.26Å; D744-S747 PolarHBondContact OD2-OG 3.05Å; D744-Y748 PolarHBondContact O-N 2.85Å | ||
| 745 | L | 92.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 66.2 Ų | 66.2 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.7 | -27.6 | -174 | -61.9 | 179.3 | 0 | 0 | 0 | 112.1 | F716 K717 V743 Y748 N749 L773 | F716-L745 HydrophobicContact CB-CD1 4.37Å; F716-L745 HydrophobicContact CB-CD2 3.59Å; F716-L745 HydrophobicContact CD2-CD2 3.89Å; F716-L745 HydrophobicContact CG-CD2 4.22Å; K717-L745 HydrophobicContact CB-CD1 4.07Å; V743-L745 PolarHBondContact O-N 3.28Å; V743-L745 VanDerWaalsContact O-N 3.14Å; L745-Y748 PolarHBondContact O-N 3.35Å; L745-N749 WeakPolarHBondContact O-CB 3.11Å; L745-N749 PolarHBondContact O-N 3.05Å; L745-L773 HydrophobicContact CB-CD1 3.75Å; L745-L773 HydrophobicContact CB-CD2 3.93Å; L745-L773 HydrophobicContact CD1-CD2 3.9Å; L745-L773 WeakPolarHBondContact O-CD1 3.33Å |
| 746 | K | 93.4 | Very high | 90.7 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -47.3 | 174.6 | -63.8 | -174.7 | 176.7 | -171.3 | 0 | 110.2 | D744 Y748 N749 L750 L773 D774 | D744-K746 VanDerWaalsContact C-N 3.28Å; D744-K746 PolarHBondContact O-N 3.06Å; D744-K746 PolarHBondContact OD1-N 3.11Å; K746-Y748 VanDerWaalsContact C-N 3.33Å; K746-Y748 PolarHBondContact O-N 2.89Å; K746-N749 PolarHBondContact O-N 3.26Å; K746-L750 WeakPolarHBondContact O-CB 3.36Å; K746-L750 PolarHBondContact O-N 3.47Å; K746-L773 HydrophobicContact CG-CD1 4.47Å; K746-D774 IonicContact NZ-OD2 2.68Å; K746-D774 PolarHBondContact NZ-OD2 3.18Å |
| 747 | S | 93.5 | Very high | 90.7 | Very high | 67 Ų | 67 | 70.6 Ų | 70.6 | 47% | 0.469 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 174.5 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | D744 L750 A751 | D744-S747 PolarHBondContact O-N 2.94Å; D744-S747 VanDerWaalsContact OD2-CB 3.29Å; D744-S747 WeakPolarHBondContact OD2-CB 3.41Å; D744-S747 PolarHBondContact OD2-N 3.26Å; D744-S747 PolarHBondContact OD2-OG 3.05Å; S747-L750 PolarHBondContact O-N 2.91Å; S747-A751 PolarHBondContact O-N 3.3Å |
| 748 | Y | 93.8 | Very high | 90.9 | Very high | 44 Ų | 44 | 72.7 Ų | 72.7 | 17% | 0.173 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.3 | -174.5 | -94.9 | 0 | 0 | 0 | 112.2 | H709 V713 F716 E738 D744 L745 K746 L750 A751 Y752 | H709-Y748 AromaticContact CE1-CD1 3.78Å; H709-Y748 AromaticContact CE1-CE1 3.61Å; H709-Y748 AromaticContact ND1-CE1 3.67Å; V713-Y748 HydrophobicContact CG2-CD1 3.99Å; V713-Y748 HydrophobicContact CG2-CE1 4.14Å; F716-Y748 HydrophobicContact CE2-CE1 4.08Å; F716-Y748 HydrophobicContact CE2-CE2 4.32Å; F716-Y748 AromaticContact CE2-CZ 3.92Å; E738-Y748 HydrophobicContact CG-CD2 4.27Å; E738-Y748 HydrophobicContact CG-CE2 3.94Å; D744-Y748 PolarHBondContact O-N 2.85Å; L745-Y748 PolarHBondContact O-N 3.35Å; K746-Y748 VanDerWaalsContact C-N 3.33Å; K746-Y748 PolarHBondContact O-N 2.89Å; Y748-L750 VanDerWaalsContact C-N 3.33Å; Y748-L750 PolarHBondContact O-N 2.91Å; Y748-A751 PolarHBondContact O-N 2.98Å; Y748-Y752 PolarHBondContact O-N 3.14Å |
| 749 | N | 95.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | 176.6 | -169.8 | 40 | 0 | 0 | 0 | 112.2 | H709 L745 K746 Y752 Y753 V766 V769 M770 | H709-N749 PolarHBondContact NE2-OD1 3.14Å; L745-N749 WeakPolarHBondContact O-CB 3.11Å; L745-N749 PolarHBondContact O-N 3.05Å; K746-N749 PolarHBondContact O-N 3.26Å; N749-Y752 PolarHBondContact O-N 3.19Å; N749-Y753 PolarHBondContact O-N 3.44Å; N749-V766 PolarHBondContact ND2-O 3.19Å; N749-V769 HydrophobicContact CB-CG1 3.86Å; N749-V769 WeakPolarHBondContact ND2-CG1 3.47Å; N749-M770 PolarHBondContact ND2-N 3.45Å |
| 750 | L | 94.3 | Very high | 91.8 | Very high | 78 Ų | 78 | 70.4 Ų | 70.4 | 41% | 0.408 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 177.6 | -172.4 | 68.3 | 0 | 0 | 0 | 112.3 | K746 S747 Y748 Y753 K754 | K746-L750 WeakPolarHBondContact O-CB 3.36Å; K746-L750 PolarHBondContact O-N 3.47Å; S747-L750 PolarHBondContact O-N 2.91Å; Y748-L750 VanDerWaalsContact C-N 3.33Å; Y748-L750 PolarHBondContact O-N 2.91Å; L750-Y753 HydrophobicContact CD1-CD1 4.39Å; L750-Y753 WeakPolarHBondContact O-CB 3.31Å; L750-Y753 PolarHBondContact O-N 3.44Å; L750-K754 WeakPolarHBondContact O-CG 3.48Å; L750-K754 PolarHBondContact O-N 2.93Å |
| 751 | A | 95 | Very high | 92.4 | Very high | 47 Ų | 47 | 65 Ų | 65 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S747 Y748 Y753 K754 E755 | S747-A751 PolarHBondContact O-N 3.3Å; Y748-A751 PolarHBondContact O-N 2.98Å; A751-Y753 VanDerWaalsContact C-N 3.3Å; A751-Y753 PolarHBondContact O-N 2.53Å; A751-K754 WeakPolarHBondContact O-CB 3.41Å; A751-K754 PolarHBondContact O-N 3.22Å; A751-E755 PolarHBondContact O-N 3.18Å |
| 752 | Y | 94.8 | Very high | 92.9 | Very high | 22 Ų | 22 | 62 Ų | 62 | 9% | 0.086 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -38.4 | 176 | -172.7 | -98.3 | 0 | 0 | 0 | 112.4 | Q704 S705 P706 H709 Y748 N749 K754 E755 H756 H762 V766 | Q704-Y752 PolarHBondContact O-OH 2.95Å; S705-Y752 PolarHBondContact O-OH 3.29Å; P706-Y752 WeakPolarHBondContact CA-OH 3.46Å; H709-Y752 HydrophobicContact CB-CD1 4.28Å; H709-Y752 HydrophobicContact CB-CD2 4.49Å; H709-Y752 HydrophobicContact CB-CE1 3.82Å; H709-Y752 HydrophobicContact CB-CE2 4.06Å; H709-Y752 AromaticContact CD2-CD1 3.43Å; H709-Y752 VanDerWaalsContact CD2-CD1 3.43Å; H709-Y752 WeakPolarHBondContact CD2-CD1 3.34Å; H709-Y752 AromaticContact CD2-CE1 3.66Å; H709-Y752 AromaticContact CD2-CG 3.96Å; H709-Y752 AromaticContact CE1-CD1 3.9Å; H709-Y752 AromaticContact CE1-CG 3.65Å; H709-Y752 AromaticContact CG-CD1 3.64Å; H709-Y752 AromaticContact CG-CE1 3.68Å; H709-Y752 AromaticContact CG-CG 3.84Å; H709-Y752 AromaticContact CG-CZ 3.93Å; H709-Y752 AromaticContact ND1-CD1 3.97Å; H709-Y752 AromaticContact ND1-CD2 3.89Å; H709-Y752 AromaticContact ND1-CG 3.69Å; H709-Y752 AromaticContact NE2-CD1 3.6Å; H709-Y752 AromaticContact NE2-CG 3.83Å; Y748-Y752 PolarHBondContact O-N 3.14Å; N749-Y752 PolarHBondContact O-N 3.19Å; Y752-K754 PolarHBondContact O-N 2.9Å; Y752-E755 PolarHBondContact O-N 2.97Å; Y752-H756 AromaticContact CD2-CD2 3.67Å; Y752-H756 AromaticContact CD2-NE2 3.99Å; Y752-H756 AromaticContact CE2-CD2 3.43Å; Y752-H756 VanDerWaalsContact CE2-CD2 3.43Å; Y752-H756 WeakPolarHBondContact CE2-CD2 3.47Å; Y752-H756 AromaticContact CE2-NE2 3.54Å; Y752-H756 AromaticContact CZ-CD2 3.63Å; Y752-H756 PolarHBondContact O-CD2 3.22Å; Y752-H756 PolarHBondContact O-N 2.76Å; Y752-H762 HydrophobicContact CE1-CB 4.38Å; Y752-H762 AromaticContact CZ-CD2 3.69Å; Y752-H762 PolarHBondContact OH-CD2 2.94Å; Y752-V766 HydrophobicContact CD1-CG2 3.71Å; Y752-V766 HydrophobicContact CE1-CG2 4.32Å |
| 753 | Y | 94.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 172.1 | -179.6 | -115.7 | 0 | 0 | 0 | 112 | N749 L750 A751 E755 H756 Q757 R763 V766 I784 | N749-Y753 PolarHBondContact O-N 3.44Å; L750-Y753 HydrophobicContact CD1-CD1 4.39Å; L750-Y753 WeakPolarHBondContact O-CB 3.31Å; L750-Y753 PolarHBondContact O-N 3.44Å; A751-Y753 VanDerWaalsContact C-N 3.3Å; A751-Y753 PolarHBondContact O-N 2.53Å; Y753-E755 VanDerWaalsContact C-N 3.27Å; Y753-E755 PolarHBondContact O-N 2.91Å; Y753-H756 CarbonylContact O-C 3.53Å; Y753-H756 PolarHBondContact O-N 2.88Å; Y753-H756 VanDerWaalsContact O-N 3.17Å; Y753-Q757 HydrophobicContact CD1-CG 4.41Å; Y753-Q757 HydrophobicContact CE1-CG 4.25Å; Y753-Q757 WeakPolarHBondContact O-CG 3.48Å; Y753-Q757 PolarHBondContact O-N 3.46Å; Y753-R763 HydrophobicContact CE2-CG 4.14Å; Y753-V766 HydrophobicContact CD2-CB 4.21Å; Y753-V766 HydrophobicContact CD2-CG1 3.77Å; Y753-V766 HydrophobicContact CD2-CG2 4.22Å; Y753-V766 HydrophobicContact CG-CG1 3.96Å; Y753-I784 HydrophobicContact CD2-CG2 4.38Å; Y753-I784 HydrophobicContact CE2-CG2 3.69Å |
| 754 | K | 94.4 | Very high | 93.7 | Very high | 133 Ų | 133 | 49.9 Ų | 49.9 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.7 | -37 | -177.5 | -76.9 | 175.9 | -178.9 | 179.6 | 0 | 112.6 | L750 A751 Y752 Q757 | L750-K754 WeakPolarHBondContact O-CG 3.48Å; L750-K754 PolarHBondContact O-N 2.93Å; A751-K754 WeakPolarHBondContact O-CB 3.41Å; A751-K754 PolarHBondContact O-N 3.22Å; Y752-K754 PolarHBondContact O-N 2.9Å; K754-Q757 PolarHBondContact O-NE2 3.47Å |
| 755 | E | 94.2 | Very high | 93.8 | Very high | 141 Ų | 141 | 46.2 Ų | 46.2 | 66% | 0.659 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -72.7 | -32.4 | 178.1 | -68.3 | 177.8 | -179.8 | 0 | 0 | 112.7 | A751 Y752 Y753 | A751-E755 PolarHBondContact O-N 3.18Å; Y752-E755 PolarHBondContact O-N 2.97Å; Y753-E755 VanDerWaalsContact C-N 3.27Å; Y753-E755 PolarHBondContact O-N 2.91Å |
| 756 | H | 93 | Very high | 94 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -117.8 | 24.9 | -170.6 | -61.1 | -67 | 0 | 0 | 0 | 115 | Q704 Y752 Y753 I758 S759 H762 | Q704-H756 PolarHBondContact OE1-CE1 2.88Å; Y752-H756 AromaticContact CD2-CD2 3.67Å; Y752-H756 AromaticContact CD2-NE2 3.99Å; Y752-H756 AromaticContact CE2-CD2 3.43Å; Y752-H756 VanDerWaalsContact CE2-CD2 3.43Å; Y752-H756 WeakPolarHBondContact CE2-CD2 3.47Å; Y752-H756 AromaticContact CE2-NE2 3.54Å; Y752-H756 AromaticContact CZ-CD2 3.63Å; Y752-H756 PolarHBondContact O-CD2 3.22Å; Y752-H756 PolarHBondContact O-N 2.76Å; Y753-H756 CarbonylContact O-C 3.53Å; Y753-H756 PolarHBondContact O-N 2.88Å; Y753-H756 VanDerWaalsContact O-N 3.17Å; H756-I758 PolarHBondContact O-N 2.85Å; H756-S759 PolarHBondContact O-N 2.89Å; H756-H762 HydrophobicContact CB-CB 3.54Å; H756-H762 AromaticContact CD2-CD2 3.76Å; H756-H762 AromaticContact CG-CD2 3.42Å; H756-H762 VanDerWaalsContact CG-CD2 3.42Å; H756-H762 AromaticContact CG-CG 4Å; H756-H762 AromaticContact ND1-CD2 3.68Å; H756-H762 AromaticContact ND1-NE2 3.9Å |
| 757 | Q | 90.6 | Very high | 94 | Very high | 95 Ų | 95 | 41.4 Ų | 41.4 | 44% | 0.444 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.9 | -176.1 | -61 | -178 | 41.7 | 0 | 0 | 113.8 | Y753 K754 S759 R763 | Y753-Q757 HydrophobicContact CD1-CG 4.41Å; Y753-Q757 HydrophobicContact CE1-CG 4.25Å; Y753-Q757 WeakPolarHBondContact O-CG 3.48Å; Y753-Q757 PolarHBondContact O-N 3.46Å; K754-Q757 PolarHBondContact O-NE2 3.47Å; Q757-S759 VanDerWaalsContact C-N 3.31Å; Q757-S759 PolarHBondContact O-N 3.38Å; Q757-R763 WeakPolarHBondContact O-CD 3.44Å |
| 758 | I | 92.4 | Very high | 94.1 | Very high | 82 Ų | 82 | 39 Ų | 39 | 42% | 0.421 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -5 | -177.7 | 62.7 | 172.8 | 0 | 0 | 0 | 113.6 | H756 L792 Q793 | H756-I758 PolarHBondContact O-N 2.85Å; I758-L792 CarbonylContact O-C 3.22Å; I758-L792 WeakPolarHBondContact O-CA 3.42Å; I758-L792 WeakPolarHBondContact O-CD2 3.38Å; I758-Q793 PolarHBondContact O-N 3.22Å |
| 759 | S | 94.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -113.4 | 114.7 | -173.1 | -172 | 0 | 0 | 0 | 0 | 112.5 | H756 Q757 H762 R763 | H756-S759 PolarHBondContact O-N 2.89Å; Q757-S759 VanDerWaalsContact C-N 3.31Å; Q757-S759 PolarHBondContact O-N 3.38Å; S759-H762 VanDerWaalsContact CB-ND1 3.25Å; S759-H762 WeakPolarHBondContact CB-ND1 3.34Å; S759-H762 PolarHBondContact O-N 3.33Å; S759-H762 VanDerWaalsContact O-N 3.08Å; S759-H762 PolarHBondContact OG-ND1 3.01Å; S759-R763 WeakPolarHBondContact O-CG 3.39Å; S759-R763 PolarHBondContact O-N 3.42Å |
| 760 | L | 93.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.2 | -44 | -178.3 | -179.7 | 65.6 | 0 | 0 | 0 | 113.7 | H762 R763 L764 L788 Q793 V795 V803 | L760-H762 VanDerWaalsContact C-N 3.27Å; L760-H762 PolarHBondContact O-N 3.36Å; L760-R763 PolarHBondContact O-N 2.99Å; L760-L764 PolarHBondContact O-N 3.42Å; L760-L788 HydrophobicContact CD1-CD2 4.05Å; L760-L788 HydrophobicContact CD2-CD2 3.79Å; L760-Q793 PolarHBondContact N-O 3.47Å; L760-V795 HydrophobicContact CB-CG2 4.47Å; L760-V795 HydrophobicContact CD2-CG2 4.33Å; L760-V803 HydrophobicContact CD1-CG2 4.22Å; L760-V803 HydrophobicContact CG-CG2 4.43Å |
| 761 | P | 92.9 | Very high | 94 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 23% | 0.234 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -34.2 | 175.6 | -26 | 35.3 | 0 | 0 | 0 | 114.4 | P706 A765 | P706-P761 WeakPolarHBondContact CB-O 3.44Å; P706-P761 HydrophobicContact CG-CB 4.08Å; P761-A765 PolarHBondContact O-N 3.06Å |
| 762 | H | 95 | Very high | 93.9 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 13% | 0.13 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75.4 | -44.1 | 178.7 | -64 | 71.5 | 0 | 0 | 0 | 110.5 | Q704 P706 Y752 H756 S759 L760 L764 A765 V766 | Q704-H762 PolarHBondContact O-NE2 2.97Å; Q704-H762 VanDerWaalsContact O-NE2 3.1Å; P706-H762 HydrophobicContact CG-CB 4.46Å; Y752-H762 HydrophobicContact CE1-CB 4.38Å; Y752-H762 AromaticContact CZ-CD2 3.69Å; Y752-H762 PolarHBondContact OH-CD2 2.94Å; H756-H762 HydrophobicContact CB-CB 3.54Å; H756-H762 AromaticContact CD2-CD2 3.76Å; H756-H762 AromaticContact CG-CD2 3.42Å; H756-H762 VanDerWaalsContact CG-CD2 3.42Å; H756-H762 AromaticContact CG-CG 4Å; H756-H762 AromaticContact ND1-CD2 3.68Å; H756-H762 AromaticContact ND1-NE2 3.9Å; S759-H762 VanDerWaalsContact CB-ND1 3.25Å; S759-H762 WeakPolarHBondContact CB-ND1 3.34Å; S759-H762 PolarHBondContact O-N 3.33Å; S759-H762 VanDerWaalsContact O-N 3.08Å; S759-H762 PolarHBondContact OG-ND1 3.01Å; L760-H762 VanDerWaalsContact C-N 3.27Å; L760-H762 PolarHBondContact O-N 3.36Å; H762-L764 VanDerWaalsContact C-N 3.26Å; H762-L764 PolarHBondContact O-N 3.48Å; H762-A765 PolarHBondContact O-N 3.07Å; H762-A765 VanDerWaalsContact O-N 3.12Å; H762-V766 WeakPolarHBondContact O-CG2 3.37Å; H762-V766 PolarHBondContact O-N 3.13Å |
| 763 | R | 94.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.5 | -43.3 | 172.7 | -68 | -178.9 | 64.1 | 157.9 | 9.3 | 111.9 | Y753 Q757 S759 L760 V766 A767 I784 D787 | Y753-R763 HydrophobicContact CE2-CG 4.14Å; Q757-R763 WeakPolarHBondContact O-CD 3.44Å; S759-R763 WeakPolarHBondContact O-CG 3.39Å; S759-R763 PolarHBondContact O-N 3.42Å; L760-R763 PolarHBondContact O-N 2.99Å; R763-V766 PolarHBondContact O-N 3.45Å; R763-A767 WeakPolarHBondContact O-CB 3.29Å; R763-A767 PolarHBondContact O-N 3.33Å; R763-I784 HydrophobicContact CB-CG2 4.21Å; R763-I784 VanDerWaalsContact CZ-O 3.22Å; R763-I784 PolarHBondContact NE-O 2.91Å; R763-I784 PolarHBondContact NH2-O 3.42Å; R763-D787 IonicContact CZ-OD2 2.7Å; R763-D787 PolarHBondContact NH1-O 3.25Å; R763-D787 IonicContact NH1-OD2 3.65Å; R763-D787 PolarHBondContact NH1-OD2 3.13Å; R763-D787 VanDerWaalsContact NH2-CB 3.33Å; R763-D787 IonicContact NH2-OD2 3.32Å; R763-D787 PolarHBondContact NH2-OD2 3.19Å |
| 764 | L | 94.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 176.4 | 177.8 | 61.2 | 0 | 0 | 0 | 111.6 | L760 H762 V766 A767 E768 A785 R802 V803 L812 | L760-L764 PolarHBondContact O-N 3.42Å; H762-L764 VanDerWaalsContact C-N 3.26Å; H762-L764 PolarHBondContact O-N 3.48Å; L764-V766 VanDerWaalsContact C-N 3.33Å; L764-V766 PolarHBondContact O-N 2.92Å; L764-A767 PolarHBondContact O-N 3.02Å; L764-E768 HydrophobicContact CD1-CG 4.1Å; L764-E768 HydrophobicContact CG-CG 4.41Å; L764-E768 WeakPolarHBondContact O-CB 3.24Å; L764-E768 VanDerWaalsContact O-CG 3.28Å; L764-E768 WeakPolarHBondContact O-CG 3.27Å; L764-E768 PolarHBondContact O-N 3.46Å; L764-A785 HydrophobicContact CD1-CB 4.14Å; L764-R802 HydrophobicContact CD2-CB 4.2Å; L764-R802 HydrophobicContact CD2-CG 3.68Å; L764-V803 HydrophobicContact CB-CG2 4.4Å; L764-V803 HydrophobicContact CD1-CG2 4.2Å; L764-V803 HydrophobicContact CD2-CG2 4.03Å; L764-V803 HydrophobicContact CG-CG2 4.44Å; L764-L812 HydrophobicContact CD1-CD1 4.06Å |
| 765 | A | 94 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | P706 P761 H762 A767 E768 V769 | P706-A765 HydrophobicContact CB-CB 3.67Å; P706-A765 WeakPolarHBondContact O-CB 3.44Å; P761-A765 PolarHBondContact O-N 3.06Å; H762-A765 PolarHBondContact O-N 3.07Å; H762-A765 VanDerWaalsContact O-N 3.12Å; A765-A767 PolarHBondContact O-N 3.32Å; A765-E768 PolarHBondContact O-N 2.99Å; A765-V769 VanDerWaalsContact O-CG2 3.32Å; A765-V769 WeakPolarHBondContact O-CG2 3.43Å; A765-V769 PolarHBondContact O-N 2.99Å |
| 766 | V | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 174.6 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | N749 Y752 Y753 H762 R763 L764 V769 M770 | N749-V766 PolarHBondContact ND2-O 3.19Å; Y752-V766 HydrophobicContact CD1-CG2 3.71Å; Y752-V766 HydrophobicContact CE1-CG2 4.32Å; Y753-V766 HydrophobicContact CD2-CB 4.21Å; Y753-V766 HydrophobicContact CD2-CG1 3.77Å; Y753-V766 HydrophobicContact CD2-CG2 4.22Å; Y753-V766 HydrophobicContact CG-CG1 3.96Å; H762-V766 WeakPolarHBondContact O-CG2 3.37Å; H762-V766 PolarHBondContact O-N 3.13Å; R763-V766 PolarHBondContact O-N 3.45Å; L764-V766 VanDerWaalsContact C-N 3.33Å; L764-V766 PolarHBondContact O-N 2.92Å; V766-V769 PolarHBondContact O-N 3.14Å; V766-M770 HydrophobicContact CG1-CE 4.25Å; V766-M770 VanDerWaalsContact O-CB 3.3Å; V766-M770 WeakPolarHBondContact O-CB 3.24Å; V766-M770 PolarHBondContact O-N 2.69Å |
| 767 | A | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R763 L764 A765 V769 M770 Y771 A781 I784 A785 L812 | R763-A767 WeakPolarHBondContact O-CB 3.29Å; R763-A767 PolarHBondContact O-N 3.33Å; L764-A767 PolarHBondContact O-N 3.02Å; A765-A767 PolarHBondContact O-N 3.32Å; A767-V769 VanDerWaalsContact C-N 3.31Å; A767-V769 PolarHBondContact O-N 3.27Å; A767-M770 WeakPolarHBondContact O-CB 3.33Å; A767-M770 PolarHBondContact O-N 2.67Å; A767-Y771 PolarHBondContact O-N 3.22Å; A767-Y771 VanDerWaalsContact O-N 3.15Å; A767-A781 HydrophobicContact CB-CB 4.21Å; A767-A781 WeakPolarHBondContact CB-O 3.28Å; A767-A781 WeakPolarHBondContact O-CB 3.49Å; A767-I784 HydrophobicContact CB-CG2 4.42Å; A767-A785 HydrophobicContact CB-CB 3.85Å; A767-L812 HydrophobicContact CB-CD1 4.31Å; A767-L812 HydrophobicContact CB-CD2 4.4Å |
| 768 | E | 94.3 | Very high | 93.2 | Very high | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.075 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57 | -47.5 | 174.6 | -68.9 | 174.2 | 161.3 | 0 | 0 | 109.7 | W710 L764 A765 M770 Y771 F772 R802 S806 P811 L812 | W710-E768 HydrophobicContact CE3-CB 3.85Å; W710-E768 HydrophobicContact CH2-CB 4.17Å; W710-E768 HydrophobicContact CZ3-CB 3.52Å; W710-E768 WeakPolarHBondContact CZ3-O 3.41Å; L764-E768 HydrophobicContact CD1-CG 4.1Å; L764-E768 HydrophobicContact CG-CG 4.41Å; L764-E768 WeakPolarHBondContact O-CB 3.24Å; L764-E768 VanDerWaalsContact O-CG 3.28Å; L764-E768 WeakPolarHBondContact O-CG 3.27Å; L764-E768 PolarHBondContact O-N 3.46Å; A765-E768 PolarHBondContact O-N 2.99Å; E768-M770 VanDerWaalsContact C-N 3.33Å; E768-M770 PolarHBondContact O-N 2.69Å; E768-Y771 PolarHBondContact O-N 2.94Å; E768-F772 WeakPolarHBondContact O-CB 3.11Å; E768-F772 PolarHBondContact O-N 3.04Å; E768-R802 IonicContact OE2-NH2 3.33Å; E768-S806 WeakPolarHBondContact OE1-CB 3.5Å; E768-S806 PolarHBondContact OE1-OG 2.84Å; E768-P811 HydrophobicContact CB-CB 4.12Å; E768-P811 HydrophobicContact CB-CG 4.37Å; E768-P811 HydrophobicContact CG-CB 4Å; E768-P811 HydrophobicContact CG-CG 4.04Å; E768-L812 HydrophobicContact CG-CG 4.22Å |
| 769 | V | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 179.4 | 170 | 0 | 0 | 0 | 0 | 111.1 | W710 V713 N749 A765 V766 A767 Y771 F772 L773 | W710-V769 HydrophobicContact CD2-CG2 4.47Å; W710-V769 HydrophobicContact CE3-CB 4.35Å; W710-V769 HydrophobicContact CE3-CG2 3.48Å; W710-V769 VanDerWaalsContact CE3-CG2 3.48Å; W710-V769 HydrophobicContact CZ3-CB 4.45Å; W710-V769 HydrophobicContact CZ3-CG2 4.03Å; V713-V769 HydrophobicContact CB-CG1 4.15Å; V713-V769 HydrophobicContact CB-CG2 4.35Å; V713-V769 HydrophobicContact CG1-CG1 3.69Å; V713-V769 HydrophobicContact CG2-CG1 4.07Å; V713-V769 HydrophobicContact CG2-CG2 4.36Å; N749-V769 HydrophobicContact CB-CG1 3.86Å; N749-V769 WeakPolarHBondContact ND2-CG1 3.47Å; A765-V769 VanDerWaalsContact O-CG2 3.32Å; A765-V769 WeakPolarHBondContact O-CG2 3.43Å; A765-V769 PolarHBondContact O-N 2.99Å; V766-V769 PolarHBondContact O-N 3.14Å; A767-V769 VanDerWaalsContact C-N 3.31Å; A767-V769 PolarHBondContact O-N 3.27Å; V769-Y771 PolarHBondContact O-N 3.01Å; V769-F772 PolarHBondContact O-N 3.47Å; V769-L773 HydrophobicContact CG1-CD1 3.7Å; V769-L773 HydrophobicContact CG1-CG 4.01Å; V769-L773 WeakPolarHBondContact O-CG 3.49Å; V769-L773 PolarHBondContact O-N 2.99Å |
| 770 | M | 94.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 5% | 0.054 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -50.5 | -178.2 | -173.9 | 174.6 | -64.2 | 0 | 0 | 110.4 | N749 V766 A767 E768 L773 D774 E777 K780 A781 I784 | N749-M770 PolarHBondContact ND2-N 3.45Å; V766-M770 HydrophobicContact CG1-CE 4.25Å; V766-M770 VanDerWaalsContact O-CB 3.3Å; V766-M770 WeakPolarHBondContact O-CB 3.24Å; V766-M770 PolarHBondContact O-N 2.69Å; A767-M770 WeakPolarHBondContact O-CB 3.33Å; A767-M770 PolarHBondContact O-N 2.67Å; E768-M770 VanDerWaalsContact C-N 3.33Å; E768-M770 PolarHBondContact O-N 2.69Å; M770-L773 PolarHBondContact O-N 3.36Å; M770-D774 PolarHBondContact O-N 3.13Å; M770-E777 HydrophobicContact CG-CB 3.79Å; M770-E777 WeakPolarHBondContact CG-OE2 3.18Å; M770-E777 HydrophobicContact SD-CB 4.21Å; M770-K780 HydrophobicContact SD-CB 4.42Å; M770-K780 HydrophobicContact SD-CD 4.16Å; M770-K780 HydrophobicContact SD-CG 4.14Å; M770-A781 HydrophobicContact CB-CB 4.22Å; M770-A781 HydrophobicContact CG-CB 4.37Å; M770-A781 HydrophobicContact SD-CB 4.26Å; M770-I784 HydrophobicContact CE-CD1 3.59Å; M770-I784 HydrophobicContact SD-CD1 4.06Å |
| 771 | Y | 93.5 | Very high | 93.1 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 19% | 0.188 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.2 | -35.8 | 176.3 | -179.7 | -115.6 | 0 | 0 | 0 | 113.1 | A767 E768 V769 L773 D774 E775 H778 P811 | A767-Y771 PolarHBondContact O-N 3.22Å; A767-Y771 VanDerWaalsContact O-N 3.15Å; E768-Y771 PolarHBondContact O-N 2.94Å; V769-Y771 PolarHBondContact O-N 3.01Å; Y771-L773 VanDerWaalsContact C-N 3.31Å; Y771-L773 PolarHBondContact O-N 3.06Å; Y771-D774 CarbonylContact O-C 3.57Å; Y771-D774 PolarHBondContact O-N 3.24Å; Y771-E775 HydrophobicContact CD2-CB 4.49Å; Y771-E775 HydrophobicContact CE2-CB 4.02Å; Y771-E775 HydrophobicContact CE2-CG 4.14Å; Y771-H778 HydrophobicContact CD2-CB 3.6Å; Y771-H778 AromaticContact CD2-CD2 3.46Å; Y771-H778 VanDerWaalsContact CD2-CD2 3.46Å; Y771-H778 WeakPolarHBondContact CD2-CD2 3.15Å; Y771-H778 AromaticContact CD2-CG 3.91Å; Y771-H778 HydrophobicContact CE2-CB 3.7Å; Y771-H778 AromaticContact CE2-CD2 3.4Å; Y771-H778 WeakPolarHBondContact CE2-CD2 3.43Å; Y771-H778 AromaticContact CE2-CG 3.81Å; Y771-H778 AromaticContact CG-CD2 3.95Å; Y771-H778 AromaticContact CZ-CD2 3.83Å; Y771-P811 WeakPolarHBondContact CD1-O 3.36Å; Y771-P811 WeakPolarHBondContact CE1-O 3.28Å |
| 772 | F | 92.5 | Very high | 93.1 | Very high | 26 Ų | 26 | 34.2 Ų | 34.2 | 11% | 0.114 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.2 | -30.5 | 176.6 | 173.6 | -105.5 | 0 | 0 | 0 | 114 | W710 K714 K717 E768 V769 L867 | W710-F772 HydrophobicContact CH2-CB 3.82Å; W710-F772 HydrophobicContact CH2-CD2 4.42Å; W710-F772 HydrophobicContact CH2-CG 4.08Å; W710-F772 HydrophobicContact CZ3-CB 3.92Å; W710-F772 HydrophobicContact CZ3-CG 4.4Å; K714-F772 HydrophobicContact CG-CE1 4.02Å; K714-F772 HydrophobicContact CG-CZ 4.05Å; K717-F772 HydrophobicContact CB-CE1 4.38Å; K717-F772 HydrophobicContact CD-CD1 4.33Å; K717-F772 HydrophobicContact CD-CE1 3.48Å; K717-F772 VanDerWaalsContact CD-CE1 3.48Å; K717-F772 HydrophobicContact CD-CZ 3.64Å; K717-F772 PolarHBondContact NZ-O 3.25Å; E768-F772 WeakPolarHBondContact O-CB 3.11Å; E768-F772 PolarHBondContact O-N 3.04Å; V769-F772 PolarHBondContact O-N 3.47Å; F772-L867 HydrophobicContact CD2-CD1 3.69Å; F772-L867 HydrophobicContact CE2-CD1 3.9Å |
| 773 | L | 92.5 | Very high | 93 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -83.9 | -38.2 | 176.3 | -68.7 | 178.6 | 0 | 0 | 0 | 112.1 | V713 K717 L745 K746 V769 M770 Y771 | V713-L773 HydrophobicContact CG1-CD1 4.12Å; V713-L773 HydrophobicContact CG1-CD2 3.84Å; V713-L773 HydrophobicContact CG1-CG 4.17Å; K717-L773 HydrophobicContact CD-CD2 4.34Å; L745-L773 HydrophobicContact CB-CD1 3.75Å; L745-L773 HydrophobicContact CB-CD2 3.93Å; L745-L773 HydrophobicContact CD1-CD2 3.9Å; L745-L773 WeakPolarHBondContact O-CD1 3.33Å; K746-L773 HydrophobicContact CG-CD1 4.47Å; V769-L773 HydrophobicContact CG1-CD1 3.7Å; V769-L773 HydrophobicContact CG1-CG 4.01Å; V769-L773 WeakPolarHBondContact O-CG 3.49Å; V769-L773 PolarHBondContact O-N 2.99Å; M770-L773 PolarHBondContact O-N 3.36Å; Y771-L773 VanDerWaalsContact C-N 3.31Å; Y771-L773 PolarHBondContact O-N 3.06Å |
| 774 | D | 91.1 | Very high | 92.9 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 20% | 0.198 | 21% | 0.21 | C | C | . | . | trans | -146.7 | 108.8 | -178.3 | -170.4 | -13.2 | 0 | 0 | 0 | 111.4 | K746 M770 Y771 S776 E777 | K746-D774 IonicContact NZ-OD2 2.68Å; K746-D774 PolarHBondContact NZ-OD2 3.18Å; M770-D774 PolarHBondContact O-N 3.13Å; Y771-D774 CarbonylContact O-C 3.57Å; Y771-D774 PolarHBondContact O-N 3.24Å; D774-S776 PolarHBondContact O-N 2.69Å; D774-S776 VanDerWaalsContact OD1-CB 3.31Å; D774-S776 WeakPolarHBondContact OD1-CB 3.45Å; D774-S776 PolarHBondContact OD1-N 3.49Å; D774-S776 PolarHBondContact OD1-OG 2.92Å; D774-S776 PolarHBondContact OD2-OG 3.44Å; D774-E777 PolarHBondContact O-N 2.9Å | ||
| 775 | E | 90.1 | Very high | 92.8 | Very high | 128 Ų | 128 | 39.7 Ų | 39.7 | 60% | 0.598 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -61.7 | -24.8 | 179.2 | -64.8 | -179.1 | -179.8 | 0 | 0 | 112.6 | Y771 E777 H778 | Y771-E775 HydrophobicContact CD2-CB 4.49Å; Y771-E775 HydrophobicContact CE2-CB 4.02Å; Y771-E775 HydrophobicContact CE2-CG 4.14Å; E775-E777 VanDerWaalsContact C-N 3.28Å; E775-E777 PolarHBondContact O-N 3.34Å; E775-H778 WeakPolarHBondContact O-CB 3.38Å; E775-H778 PolarHBondContact O-N 2.9Å |
| 776 | S | 91.3 | Very high | 92.7 | Very high | 97 Ų | 97 | 41.2 Ų | 41.2 | 68% | 0.678 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -70.6 | -21.2 | 179.2 | 72 | 0 | 0 | 0 | 0 | 113.7 | D774 H778 | D774-S776 PolarHBondContact O-N 2.69Å; D774-S776 VanDerWaalsContact OD1-CB 3.31Å; D774-S776 WeakPolarHBondContact OD1-CB 3.45Å; D774-S776 PolarHBondContact OD1-N 3.49Å; D774-S776 PolarHBondContact OD1-OG 2.92Å; D774-S776 PolarHBondContact OD2-OG 3.44Å; S776-H778 VanDerWaalsContact C-N 3.25Å; S776-H778 PolarHBondContact O-N 3.03Å |
| 777 | E | 90.7 | Very high | 92.4 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -85.7 | 10.9 | 175.8 | -70.4 | -154.8 | 120 | 0 | 0 | 113.1 | M770 D774 E775 A779 K780 A781 | M770-E777 HydrophobicContact CG-CB 3.79Å; M770-E777 WeakPolarHBondContact CG-OE2 3.18Å; M770-E777 HydrophobicContact SD-CB 4.21Å; D774-E777 PolarHBondContact O-N 2.9Å; E775-E777 VanDerWaalsContact C-N 3.28Å; E775-E777 PolarHBondContact O-N 3.34Å; E777-A779 PolarHBondContact O-N 2.94Å; E777-K780 PolarHBondContact O-N 3.09Å; E777-K780 VanDerWaalsContact O-N 3.12Å; E777-K780 IonicContact OE1-NZ 3.17Å; E777-K780 PolarHBondContact OE1-NZ 3.18Å; E777-A781 PolarHBondContact O-N 3.36Å |
| 778 | H | 91.6 | Very high | 92 | Very high | 42 Ų | 42 | 45 Ų | 45 | 19% | 0.194 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -50.9 | -48.2 | -177.5 | -178.7 | -108.3 | 0 | 0 | 0 | 113.9 | Y771 E775 S776 K780 A781 V782 L812 P814 | Y771-H778 HydrophobicContact CD2-CB 3.6Å; Y771-H778 AromaticContact CD2-CD2 3.46Å; Y771-H778 VanDerWaalsContact CD2-CD2 3.46Å; Y771-H778 WeakPolarHBondContact CD2-CD2 3.15Å; Y771-H778 AromaticContact CD2-CG 3.91Å; Y771-H778 HydrophobicContact CE2-CB 3.7Å; Y771-H778 AromaticContact CE2-CD2 3.4Å; Y771-H778 WeakPolarHBondContact CE2-CD2 3.43Å; Y771-H778 AromaticContact CE2-CG 3.81Å; Y771-H778 AromaticContact CG-CD2 3.95Å; Y771-H778 AromaticContact CZ-CD2 3.83Å; E775-H778 WeakPolarHBondContact O-CB 3.38Å; E775-H778 PolarHBondContact O-N 2.9Å; S776-H778 VanDerWaalsContact C-N 3.25Å; S776-H778 PolarHBondContact O-N 3.03Å; H778-K780 VanDerWaalsContact C-N 3.31Å; H778-K780 PolarHBondContact O-N 2.8Å; H778-A781 WeakPolarHBondContact O-CB 3.28Å; H778-A781 PolarHBondContact O-N 3.44Å; H778-V782 WeakPolarHBondContact O-CG2 3.39Å; H778-V782 PolarHBondContact O-N 3.28Å; H778-L812 PolarHBondContact NE2-O 2.94Å; H778-P814 PolarHBondContact CE1-O 3.19Å; H778-P814 PolarHBondContact NE2-O 3.43Å |
| 779 | A | 90.8 | Very high | 91.3 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.6 | -42.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E777 V782 E783 | E777-A779 PolarHBondContact O-N 2.94Å; A779-V782 PolarHBondContact O-N 3.31Å; A779-E783 PolarHBondContact O-N 3.26Å |
| 780 | K | 92.9 | Very high | 90.3 | Very high | 96 Ų | 96 | 56.2 Ų | 56.2 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71 | -38.3 | 178.8 | -175.1 | -178.1 | 173.1 | -169.4 | 0 | 111.7 | M770 E777 H778 E783 I784 | M770-K780 HydrophobicContact SD-CB 4.42Å; M770-K780 HydrophobicContact SD-CD 4.16Å; M770-K780 HydrophobicContact SD-CG 4.14Å; E777-K780 PolarHBondContact O-N 3.09Å; E777-K780 VanDerWaalsContact O-N 3.12Å; E777-K780 IonicContact OE1-NZ 3.17Å; E777-K780 PolarHBondContact OE1-NZ 3.18Å; H778-K780 VanDerWaalsContact C-N 3.31Å; H778-K780 PolarHBondContact O-N 2.8Å; K780-E783 PolarHBondContact O-N 2.84Å; K780-I784 HydrophobicContact CG-CD1 4.26Å; K780-I784 VanDerWaalsContact O-CG1 3.32Å; K780-I784 WeakPolarHBondContact O-CG1 3.43Å; K780-I784 PolarHBondContact O-N 2.89Å |
| 781 | A | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A767 M770 E777 H778 I784 A785 L812 | A767-A781 HydrophobicContact CB-CB 4.21Å; A767-A781 WeakPolarHBondContact CB-O 3.28Å; A767-A781 WeakPolarHBondContact O-CB 3.49Å; M770-A781 HydrophobicContact CB-CB 4.22Å; M770-A781 HydrophobicContact CG-CB 4.37Å; M770-A781 HydrophobicContact SD-CB 4.26Å; E777-A781 PolarHBondContact O-N 3.36Å; H778-A781 WeakPolarHBondContact O-CB 3.28Å; H778-A781 PolarHBondContact O-N 3.44Å; A781-I784 PolarHBondContact O-N 3.34Å; A781-A785 PolarHBondContact O-N 2.88Å; A781-L812 HydrophobicContact CB-CD2 3.89Å |
| 782 | V | 93.3 | Very high | 89.5 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -48 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | H778 A779 I784 A785 T786 L807 V815 V819 | H778-V782 WeakPolarHBondContact O-CG2 3.39Å; H778-V782 PolarHBondContact O-N 3.28Å; A779-V782 PolarHBondContact O-N 3.31Å; V782-I784 PolarHBondContact O-N 3.19Å; V782-A785 PolarHBondContact O-N 3.36Å; V782-A785 VanDerWaalsContact O-N 3.13Å; V782-T786 HydrophobicContact CG1-CG2 4.18Å; V782-T786 WeakPolarHBondContact O-CG2 3.28Å; V782-T786 PolarHBondContact O-N 3.4Å; V782-T786 PolarHBondContact O-OG1 2.98Å; V782-L807 HydrophobicContact CG1-CD2 3.99Å; V782-L807 HydrophobicContact CG2-CD2 4.18Å; V782-V815 HydrophobicContact CG1-CG1 4.1Å; V782-V815 HydrophobicContact CG2-CG1 4.33Å; V782-V815 HydrophobicContact CG2-CG2 3.87Å; V782-V819 HydrophobicContact CG1-CG1 3.8Å |
| 783 | E | 93.1 | Very high | 89.3 | Confident | 135 Ų | 135 | 63.8 Ų | 63.8 | 63% | 0.631 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.2 | -48 | 177.6 | -171.5 | -176.8 | 177.4 | 0 | 0 | 111.9 | A779 K780 A785 T786 D787 | A779-E783 PolarHBondContact O-N 3.26Å; K780-E783 PolarHBondContact O-N 2.84Å; E783-A785 VanDerWaalsContact C-N 3.29Å; E783-A785 PolarHBondContact O-N 2.98Å; E783-T786 PolarHBondContact O-N 2.92Å; E783-T786 PolarHBondContact O-OG1 3.44Å; E783-D787 VanDerWaalsContact O-CB 3.3Å; E783-D787 WeakPolarHBondContact O-CB 3.24Å; E783-D787 PolarHBondContact O-N 2.93Å |
| 784 | I | 92.5 | Very high | 88.9 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 9% | 0.087 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 178.2 | -70.2 | 168.9 | 0 | 0 | 0 | 111.7 | Y753 R763 A767 M770 K780 A781 V782 | Y753-I784 HydrophobicContact CD2-CG2 4.38Å; Y753-I784 HydrophobicContact CE2-CG2 3.69Å; R763-I784 HydrophobicContact CB-CG2 4.21Å; R763-I784 VanDerWaalsContact CZ-O 3.22Å; R763-I784 PolarHBondContact NE-O 2.91Å; R763-I784 PolarHBondContact NH2-O 3.42Å; A767-I784 HydrophobicContact CB-CG2 4.42Å; M770-I784 HydrophobicContact CE-CD1 3.59Å; M770-I784 HydrophobicContact SD-CD1 4.06Å; K780-I784 HydrophobicContact CG-CD1 4.26Å; K780-I784 VanDerWaalsContact O-CG1 3.32Å; K780-I784 WeakPolarHBondContact O-CG1 3.43Å; K780-I784 PolarHBondContact O-N 2.89Å; A781-I784 PolarHBondContact O-N 3.34Å; V782-I784 PolarHBondContact O-N 3.19Å |
| 785 | A | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -75.7 | -33.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L764 A767 A781 V782 E783 V803 L812 | L764-A785 HydrophobicContact CD1-CB 4.14Å; A767-A785 HydrophobicContact CB-CB 3.85Å; A781-A785 PolarHBondContact O-N 2.88Å; V782-A785 PolarHBondContact O-N 3.36Å; V782-A785 VanDerWaalsContact O-N 3.13Å; E783-A785 VanDerWaalsContact C-N 3.29Å; E783-A785 PolarHBondContact O-N 2.98Å; A785-V803 HydrophobicContact CB-CG1 4.22Å; A785-V803 WeakPolarHBondContact O-CG1 3.48Å; A785-L812 HydrophobicContact CB-CD1 3.76Å |
| 786 | T | 91.8 | Very high | 88.9 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -90.7 | -17.7 | -174.4 | 56 | 0 | 0 | 0 | 0 | 115 | V782 E783 L788 L807 V819 Y823 | V782-T786 HydrophobicContact CG1-CG2 4.18Å; V782-T786 WeakPolarHBondContact O-CG2 3.28Å; V782-T786 PolarHBondContact O-N 3.4Å; V782-T786 PolarHBondContact O-OG1 2.98Å; E783-T786 PolarHBondContact O-N 2.92Å; E783-T786 PolarHBondContact O-OG1 3.44Å; T786-L788 PolarHBondContact O-N 3.34Å; T786-L788 VanDerWaalsContact O-N 3.12Å; T786-L807 HydrophobicContact CG2-CD1 3.8Å; T786-L807 HydrophobicContact CG2-CD2 4.29Å; T786-V819 HydrophobicContact CG2-CG1 4.48Å; T786-Y823 HydrophobicContact CG2-CD2 3.77Å; T786-Y823 HydrophobicContact CG2-CE2 4.31Å; T786-Y823 HydrophobicContact CG2-CG 4.13Å; T786-Y823 WeakPolarHBondContact O-CE2 3.39Å |
| 787 | D | 89.6 | Confident | 88.9 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | trans | -72.4 | 103.3 | -177.8 | 163.9 | 47.1 | 0 | 0 | 0 | 111.9 | R763 E783 K789 L792 | R763-D787 IonicContact CZ-OD2 2.7Å; R763-D787 PolarHBondContact NH1-O 3.25Å; R763-D787 IonicContact NH1-OD2 3.65Å; R763-D787 PolarHBondContact NH1-OD2 3.13Å; R763-D787 VanDerWaalsContact NH2-CB 3.33Å; R763-D787 IonicContact NH2-OD2 3.32Å; R763-D787 PolarHBondContact NH2-OD2 3.19Å; E783-D787 VanDerWaalsContact O-CB 3.3Å; E783-D787 WeakPolarHBondContact O-CB 3.24Å; E783-D787 PolarHBondContact O-N 2.93Å; D787-K789 PolarHBondContact O-N 2.84Å; D787-K789 WeakPolarHBondContact OD1-CE 3.39Å; D787-K789 VanDerWaalsContact OD1-CG 3.22Å; D787-K789 WeakPolarHBondContact OD1-CG 3.38Å; D787-K789 WeakPolarHBondContact OD2-CE 3.31Å; D787-K789 IonicContact OD2-NZ 3.93Å; D787-K789 PolarHBondContact OD2-NZ 3.15Å; D787-L792 VanDerWaalsContact O-CD1 3.23Å; D787-L792 WeakPolarHBondContact O-CD1 3.43Å | ||
| 788 | L | 87.5 | Confident | 88.9 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | trans | -98.4 | 68.4 | -178.4 | -66.6 | 173.4 | 0 | 0 | 0 | 111.9 | L760 T786 V795 Y823 V826 L830 | L760-L788 HydrophobicContact CD1-CD2 4.05Å; L760-L788 HydrophobicContact CD2-CD2 3.79Å; T786-L788 PolarHBondContact O-N 3.34Å; T786-L788 VanDerWaalsContact O-N 3.12Å; L788-V795 HydrophobicContact CD2-CG1 4.44Å; L788-Y823 HydrophobicContact CD1-CD2 4.38Å; L788-Y823 HydrophobicContact CD1-CE2 3.63Å; L788-Y823 HydrophobicContact CD2-CE2 4.41Å; L788-Y823 HydrophobicContact CG-CE2 3.9Å; L788-V826 HydrophobicContact CD1-CG1 3.96Å; L788-L830 HydrophobicContact CD1-CD1 4.14Å | ||
| 789 | K | 79.1 | Confident | 88.9 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | trans | -62.3 | 149.9 | 172.6 | -61.5 | -179.9 | 174.5 | 153 | 0 | 112.3 | D787 N791 L792 | D787-K789 PolarHBondContact O-N 2.84Å; D787-K789 WeakPolarHBondContact OD1-CE 3.39Å; D787-K789 VanDerWaalsContact OD1-CG 3.22Å; D787-K789 WeakPolarHBondContact OD1-CG 3.38Å; D787-K789 WeakPolarHBondContact OD2-CE 3.31Å; D787-K789 IonicContact OD2-NZ 3.93Å; D787-K789 PolarHBondContact OD2-NZ 3.15Å; K789-N791 WeakPolarHBondContact CB-OD1 3.39Å; K789-N791 PolarHBondContact O-N 3.2Å; K789-L792 HydrophobicContact CB-CD1 4.2Å; K789-L792 HydrophobicContact CB-CG 4.25Å; K789-L792 VanDerWaalsContact N-CD1 3.26Å; K789-L792 WeakPolarHBondContact O-CB 3.5Å; K789-L792 PolarHBondContact O-N 3.06Å | ||
| 790 | S | 73.1 | Confident | 89 | Confident | 135 Ų | 135 | 56.5 Ų | 56.5 | 94% | 0.944 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.3 | -177.3 | 53.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 791 | N | 84.4 | Confident | 89 | Confident | 107 Ų | 107 | 53.8 Ų | 53.8 | 57% | 0.572 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6 | -179.8 | 66.4 | -21.3 | 0 | 0 | 0 | 114.1 | K789 | K789-N791 WeakPolarHBondContact CB-OD1 3.39Å; K789-N791 PolarHBondContact O-N 3.2Å |
| 792 | L | 86.7 | Confident | 88.8 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | trans | -74.3 | 129.7 | -178.9 | -75.4 | 165.8 | 0 | 0 | 0 | 112 | I758 D787 K789 V795 | I758-L792 CarbonylContact O-C 3.22Å; I758-L792 WeakPolarHBondContact O-CA 3.42Å; I758-L792 WeakPolarHBondContact O-CD2 3.38Å; D787-L792 VanDerWaalsContact O-CD1 3.23Å; D787-L792 WeakPolarHBondContact O-CD1 3.43Å; K789-L792 HydrophobicContact CB-CD1 4.2Å; K789-L792 HydrophobicContact CB-CG 4.25Å; K789-L792 VanDerWaalsContact N-CD1 3.26Å; K789-L792 WeakPolarHBondContact O-CB 3.5Å; K789-L792 PolarHBondContact O-N 3.06Å; L792-V795 HydrophobicContact CB-CG2 3.46Å; L792-V795 VanDerWaalsContact CB-CG2 3.46Å; L792-V795 WeakPolarHBondContact O-CG2 3.48Å | ||
| 793 | Q | 88.8 | Confident | 88.8 | Confident | 120 Ų | 120 | 56.6 Ų | 56.6 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | B | Isolated β-bridge | trans | -83.3 | 149.4 | 170.6 | -62.1 | -178.5 | -5.9 | 0 | 0 | 110.9 | I758 L760 V795 | I758-Q793 PolarHBondContact O-N 3.22Å; L760-Q793 PolarHBondContact N-O 3.47Å; Q793-V795 VanDerWaalsContact C-N 3.27Å; Q793-V795 PolarHBondContact O-N 3.18Å |
| 794 | G | 84.1 | Confident | 88.7 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 50% | 0.495 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 17.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S796 S799 | G794-S796 PolarHBondContact O-N 3.3Å; G794-S799 WeakPolarHBondContact O-CB 3.24Å; G794-S799 PolarHBondContact O-OG 2.9Å |
| 795 | V | 90.4 | Very high | 88.4 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | trans | -73 | 112.2 | 170.3 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | L760 L788 L792 Q793 L830 F831 | L760-V795 HydrophobicContact CB-CG2 4.47Å; L760-V795 HydrophobicContact CD2-CG2 4.33Å; L788-V795 HydrophobicContact CD2-CG1 4.44Å; L792-V795 HydrophobicContact CB-CG2 3.46Å; L792-V795 VanDerWaalsContact CB-CG2 3.46Å; L792-V795 WeakPolarHBondContact O-CG2 3.48Å; Q793-V795 VanDerWaalsContact C-N 3.27Å; Q793-V795 PolarHBondContact O-N 3.18Å; V795-L830 HydrophobicContact CG1-CD1 4.47Å; V795-F831 HydrophobicContact CG1-CE2 4.4Å; V795-F831 HydrophobicContact CG1-CZ 4.13Å | ||
| 796 | S | 90.7 | Very high | 88.2 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | trans | -147.7 | 157.9 | 178.4 | 69.8 | 0 | 0 | 0 | 0 | 108 | G794 K798 S799 C800 F831 | G794-S796 PolarHBondContact O-N 3.3Å; S796-K798 PolarHBondContact O-N 3.35Å; S796-K798 PolarHBondContact OG-N 3.05Å; S796-S799 PolarHBondContact N-OG 3.08Å; S796-S799 PolarHBondContact O-N 2.86Å; S796-S799 VanDerWaalsContact O-N 3.07Å; S796-S799 PolarHBondContact O-OG 3.11Å; S796-S799 PolarHBondContact OG-N 3.37Å; S796-S799 PolarHBondContact OG-OG 3.24Å; S796-C800 WeakPolarHBondContact O-CB 3.4Å; S796-C800 PolarHBondContact O-N 2.95Å; S796-C800 PolarHBondContact O-SG 2.9Å; S796-F831 VanDerWaalsContact C-CZ 3.46Å | ||
| 797 | W | 90.3 | Very high | 88.1 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 10% | 0.102 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.1 | -28 | 176.5 | 75 | -98.3 | 0 | 0 | 0 | 112.5 | H426 R801 F831 A834 F837 | H426-W797 PolarHBondContact O-NE1 2.63Å; W797-R801 WeakPolarHBondContact O-CB 3.39Å; W797-R801 PolarHBondContact O-N 2.79Å; W797-F831 HydrophobicContact CB-CB 4.25Å; W797-F831 HydrophobicContact CB-CD1 4.16Å; W797-F831 HydrophobicContact CB-CD2 4.05Å; W797-F831 HydrophobicContact CB-CE2 4.49Å; W797-F831 HydrophobicContact CB-CG 3.87Å; W797-A834 HydrophobicContact CB-CB 4.07Å; W797-F837 HydrophobicContact CB-CE2 4Å |
| 798 | K | 91.1 | Very high | 87.8 | Confident | 136 Ų | 136 | 50.2 Ų | 50.2 | 59% | 0.591 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -71.9 | -44.5 | 177.6 | -64.6 | 177.2 | -172.5 | 162 | 0 | 112.4 | S796 R802 | S796-K798 PolarHBondContact O-N 3.35Å; S796-K798 PolarHBondContact OG-N 3.05Å; K798-R802 PolarHBondContact O-N 3.42Å |
| 799 | S | 92.1 | Very high | 87.3 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.3 | -43.1 | 177.5 | 44.8 | 0 | 0 | 0 | 0 | 110.8 | G794 S796 R801 R802 V803 | G794-S799 WeakPolarHBondContact O-CB 3.24Å; G794-S799 PolarHBondContact O-OG 2.9Å; S796-S799 PolarHBondContact N-OG 3.08Å; S796-S799 PolarHBondContact O-N 2.86Å; S796-S799 VanDerWaalsContact O-N 3.07Å; S796-S799 PolarHBondContact O-OG 3.11Å; S796-S799 PolarHBondContact OG-N 3.37Å; S796-S799 PolarHBondContact OG-OG 3.24Å; S799-R801 VanDerWaalsContact C-N 3.33Å; S799-R801 PolarHBondContact O-N 3.35Å; S799-R802 WeakPolarHBondContact O-CA 3.46Å; S799-R802 WeakPolarHBondContact O-CB 3.37Å; S799-R802 PolarHBondContact O-N 3.07Å; S799-V803 PolarHBondContact O-N 3.31Å |
| 800 | C | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -41 | 172.8 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | S796 R802 V803 L804 Y823 F831 F837 | S796-C800 WeakPolarHBondContact O-CB 3.4Å; S796-C800 PolarHBondContact O-N 2.95Å; S796-C800 PolarHBondContact O-SG 2.9Å; C800-R802 VanDerWaalsContact C-N 3.27Å; C800-R802 PolarHBondContact O-N 3.21Å; C800-V803 WeakPolarHBondContact O-CB 3.14Å; C800-V803 PolarHBondContact O-N 3.23Å; C800-L804 PolarHBondContact O-N 3.47Å; C800-Y823 WeakPolarHBondContact CA-OH 3.23Å; C800-F831 HydrophobicContact CB-CE2 4.45Å; C800-F837 HydrophobicContact CB-CE1 4.39Å; C800-F837 HydrophobicContact CB-CE2 4.42Å; C800-F837 HydrophobicContact CB-CZ 3.68Å |
| 801 | R | 91.2 | Very high | 87.5 | Confident | 40 Ų | 40 | 43 Ų | 43 | 15% | 0.151 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -34.3 | 172.8 | 173.6 | 176.8 | 164.9 | 171.7 | -10.2 | 112.5 | W797 S799 R805 V836 F837 D859 | W797-R801 WeakPolarHBondContact O-CB 3.39Å; W797-R801 PolarHBondContact O-N 2.79Å; S799-R801 VanDerWaalsContact C-N 3.33Å; S799-R801 PolarHBondContact O-N 3.35Å; R801-R805 WeakPolarHBondContact O-CB 3.47Å; R801-R805 PolarHBondContact O-N 3.35Å; R801-V836 HydrophobicContact CB-CG1 4.48Å; R801-V836 HydrophobicContact CG-CG2 4.14Å; R801-F837 HydrophobicContact CB-CZ 4.37Å; R801-D859 IonicContact CZ-OD1 3.73Å; R801-D859 IonicContact CZ-OD2 3.61Å; R801-D859 VanDerWaalsContact NH1-CG 3.33Å; R801-D859 IonicContact NH1-OD1 2.66Å; R801-D859 IonicContact NH1-OD2 3.41Å; R801-D859 PolarHBondContact NH1-OD2 2.7Å; R801-D859 PolarHBondContact NH2-O 2.99Å; R801-D859 IonicContact NH2-OD1 3.53Å; R801-D859 PolarHBondContact NH2-OD1 3.32Å; R801-D859 IonicContact NH2-OD2 3.57Å; R801-D859 PolarHBondContact NH2-OD2 3.48Å |
| 802 | R | 90.3 | Very high | 87.7 | Confident | 69 Ų | 69 | 37.9 Ų | 37.9 | 26% | 0.26 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.2 | -40.8 | 175.8 | -171.1 | -174.5 | 154.6 | -173.7 | -9.7 | 111 | Q707 L764 E768 K798 S799 C800 R805 S806 | Q707-R802 VanDerWaalsContact NE2-NH1 3.12Å; L764-R802 HydrophobicContact CD2-CB 4.2Å; L764-R802 HydrophobicContact CD2-CG 3.68Å; E768-R802 IonicContact OE2-NH2 3.33Å; K798-R802 PolarHBondContact O-N 3.42Å; S799-R802 WeakPolarHBondContact O-CA 3.46Å; S799-R802 WeakPolarHBondContact O-CB 3.37Å; S799-R802 PolarHBondContact O-N 3.07Å; C800-R802 VanDerWaalsContact C-N 3.27Å; C800-R802 PolarHBondContact O-N 3.21Å; R802-R805 WeakPolarHBondContact O-CB 3.4Å; R802-R805 PolarHBondContact O-N 3.01Å; R802-S806 PolarHBondContact O-N 3.19Å |
| 803 | V | 92.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -53 | 172.2 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | L760 L764 A785 S799 C800 R805 S806 L807 Y823 | L760-V803 HydrophobicContact CD1-CG2 4.22Å; L760-V803 HydrophobicContact CG-CG2 4.43Å; L764-V803 HydrophobicContact CB-CG2 4.4Å; L764-V803 HydrophobicContact CD1-CG2 4.2Å; L764-V803 HydrophobicContact CD2-CG2 4.03Å; L764-V803 HydrophobicContact CG-CG2 4.44Å; A785-V803 HydrophobicContact CB-CG1 4.22Å; A785-V803 WeakPolarHBondContact O-CG1 3.48Å; S799-V803 PolarHBondContact O-N 3.31Å; C800-V803 WeakPolarHBondContact O-CB 3.14Å; C800-V803 PolarHBondContact O-N 3.23Å; V803-R805 PolarHBondContact O-N 3.4Å; V803-S806 WeakPolarHBondContact O-CA 3.49Å; V803-S806 WeakPolarHBondContact O-CB 3.26Å; V803-S806 PolarHBondContact O-N 3.36Å; V803-L807 HydrophobicContact CG1-CD1 4.28Å; V803-L807 WeakPolarHBondContact O-CG 3.35Å; V803-L807 PolarHBondContact O-N 2.95Å; V803-Y823 HydrophobicContact CB-CE1 3.98Å; V803-Y823 WeakPolarHBondContact CB-OH 3.28Å; V803-Y823 HydrophobicContact CG1-CE1 3.83Å; V803-Y823 HydrophobicContact CG1-CE2 4.12Å |
| 804 | L | 91.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.6 | -41.7 | 178.3 | -179.6 | 62.9 | 0 | 0 | 0 | 111.9 | C800 L807 L808 V820 Y823 V836 F837 | C800-L804 PolarHBondContact O-N 3.47Å; L804-L807 PolarHBondContact O-N 3.42Å; L804-L808 HydrophobicContact CD1-CD1 4.14Å; L804-L808 HydrophobicContact CD1-CG 4.49Å; L804-L808 HydrophobicContact CG-CD1 4.05Å; L804-L808 WeakPolarHBondContact O-CG 3.15Å; L804-L808 PolarHBondContact O-N 3.01Å; L804-L808 VanDerWaalsContact O-N 3.12Å; L804-V820 HydrophobicContact CD1-CG1 3.78Å; L804-Y823 HydrophobicContact CB-CD1 4.38Å; L804-Y823 HydrophobicContact CB-CE1 4.22Å; L804-Y823 HydrophobicContact CD1-CD1 4.4Å; L804-V836 HydrophobicContact CD2-CG2 4.33Å; L804-F837 HydrophobicContact CD2-CD1 4.02Å; L804-F837 HydrophobicContact CD2-CE1 3.95Å |
| 805 | R | 84.8 | Confident | 87.5 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 14% | 0.143 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 175.2 | -175.9 | -166.9 | -175.5 | 130 | 5.4 | 112.5 | R801 R802 V803 L807 L808 R809 G810 E862 N864 | R801-R805 WeakPolarHBondContact O-CB 3.47Å; R801-R805 PolarHBondContact O-N 3.35Å; R802-R805 WeakPolarHBondContact O-CB 3.4Å; R802-R805 PolarHBondContact O-N 3.01Å; V803-R805 PolarHBondContact O-N 3.4Å; R805-L807 VanDerWaalsContact C-N 3.29Å; R805-L807 PolarHBondContact O-N 2.84Å; R805-L808 PolarHBondContact O-N 2.88Å; R805-R809 PolarHBondContact O-N 3.07Å; R805-G810 PolarHBondContact O-N 3.15Å; R805-E862 VanDerWaalsContact CZ-N 3.29Å; R805-E862 PolarHBondContact NE-O 2.9Å; R805-E862 PolarHBondContact NH1-O 3.44Å; R805-N864 PolarHBondContact NE-ND2 3.27Å |
| 806 | S | 88 | Confident | 87.3 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 180 | -163.3 | 0 | 0 | 0 | 0 | 111 | E768 R802 V803 G810 L812 S813 | E768-S806 WeakPolarHBondContact OE1-CB 3.5Å; E768-S806 PolarHBondContact OE1-OG 2.84Å; R802-S806 PolarHBondContact O-N 3.19Å; V803-S806 WeakPolarHBondContact O-CA 3.49Å; V803-S806 WeakPolarHBondContact O-CB 3.26Å; V803-S806 PolarHBondContact O-N 3.36Å; S806-G810 CarbonylContact O-C 3.52Å; S806-G810 VanDerWaalsContact O-C 3.31Å; S806-G810 VanDerWaalsContact O-CA 3.29Å; S806-G810 WeakPolarHBondContact O-CA 3.4Å; S806-G810 PolarHBondContact O-N 3.37Å; S806-L812 PolarHBondContact O-N 3.05Å; S806-S813 PolarHBondContact O-N 3.01Å |
| 807 | L | 89.6 | Confident | 87 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.7 | -58.3 | 171.2 | 0 | 0 | 0 | 112.8 | V782 T786 V803 L804 R805 L812 S813 V815 V820 Y823 | V782-L807 HydrophobicContact CG1-CD2 3.99Å; V782-L807 HydrophobicContact CG2-CD2 4.18Å; T786-L807 HydrophobicContact CG2-CD1 3.8Å; T786-L807 HydrophobicContact CG2-CD2 4.29Å; V803-L807 HydrophobicContact CG1-CD1 4.28Å; V803-L807 WeakPolarHBondContact O-CG 3.35Å; V803-L807 PolarHBondContact O-N 2.95Å; L804-L807 PolarHBondContact O-N 3.42Å; R805-L807 VanDerWaalsContact C-N 3.29Å; R805-L807 PolarHBondContact O-N 2.84Å; L807-L812 HydrophobicContact CD2-CB 4.24Å; L807-L812 HydrophobicContact CD2-CD1 4.22Å; L807-S813 WeakPolarHBondContact O-CA 3.3Å; L807-S813 WeakPolarHBondContact O-CB 3.45Å; L807-S813 PolarHBondContact O-OG 3.25Å; L807-V815 HydrophobicContact CB-CG2 4.27Å; L807-V815 HydrophobicContact CD2-CG2 3.89Å; L807-V820 HydrophobicContact CB-CG2 4.35Å; L807-Y823 HydrophobicContact CD1-CD1 4.3Å; L807-Y823 HydrophobicContact CD1-CG 4.44Å |
| 808 | L | 85 | Confident | 86.9 | Confident | 56 Ų | 56 | 44.6 Ų | 44.6 | 29% | 0.293 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -78.7 | -45.9 | -173.6 | -76.7 | 172.6 | 0 | 0 | 0 | 114.1 | L804 R805 S813 V820 L856 | L804-L808 HydrophobicContact CD1-CD1 4.14Å; L804-L808 HydrophobicContact CD1-CG 4.49Å; L804-L808 HydrophobicContact CG-CD1 4.05Å; L804-L808 WeakPolarHBondContact O-CG 3.15Å; L804-L808 PolarHBondContact O-N 3.01Å; L804-L808 VanDerWaalsContact O-N 3.12Å; R805-L808 PolarHBondContact O-N 2.88Å; L808-S813 PolarHBondContact O-OG 3.37Å; L808-S813 VanDerWaalsContact O-OG 3.05Å; L808-V820 HydrophobicContact CD2-CG1 3.89Å; L808-V820 HydrophobicContact CD2-CG2 4.33Å; L808-V820 HydrophobicContact CG-CG1 4.29Å; L808-L856 HydrophobicContact CD1-CD1 3.3Å |
| 809 | R | 76 | Confident | 86.7 | Confident | 94 Ų | 94 | 40.3 Ų | 40.3 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -143.5 | 6.4 | -170.2 | -67.9 | -177.9 | 179 | -179.7 | -2.1 | 113.4 | R805 E860 N864 | R805-R809 PolarHBondContact O-N 3.07Å; R809-E860 VanDerWaalsContact CD-OE1 3.25Å; R809-E860 WeakPolarHBondContact CD-OE1 3.44Å; R809-E860 IonicContact CZ-OE1 3.84Å; R809-E860 IonicContact NE-OE1 2.95Å; R809-E860 IonicContact NH1-OE1 2.71Å; R809-E860 PolarHBondContact NH1-OE1 3.26Å; R809-E860 IonicContact NH1-OE2 3.28Å; R809-N864 WeakPolarHBondContact CB-ND2 3.43Å; R809-N864 WeakPolarHBondContact O-CB 3.49Å; R809-N864 PolarHBondContact O-ND2 3.29Å; R809-N864 VanDerWaalsContact O-ND2 3.12Å |
| 810 | G | 76 | Confident | 86.5 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -107.2 | -161.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R805 S806 L812 S813 N864 | R805-G810 PolarHBondContact O-N 3.15Å; S806-G810 CarbonylContact O-C 3.52Å; S806-G810 VanDerWaalsContact O-C 3.31Å; S806-G810 VanDerWaalsContact O-CA 3.29Å; S806-G810 WeakPolarHBondContact O-CA 3.4Å; S806-G810 PolarHBondContact O-N 3.37Å; G810-L812 PolarHBondContact O-N 2.93Å; G810-S813 VanDerWaalsContact O-CB 3.22Å; G810-S813 WeakPolarHBondContact O-CB 3.17Å; G810-S813 PolarHBondContact O-N 3.25Å; G810-N864 WeakPolarHBondContact CA-OD1 3.31Å |
| 811 | P | 80.8 | Confident | 86.3 | Confident | 29 Ų | 29 | 43 Ų | 43 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.1 | -175.1 | -23.9 | 32.3 | 0 | 0 | 0 | 113.1 | W710 E768 Y771 S813 | W710-P811 HydrophobicContact CH2-CB 4.19Å; W710-P811 HydrophobicContact CH2-CG 4.29Å; W710-P811 HydrophobicContact CZ2-CG 4.41Å; E768-P811 HydrophobicContact CB-CB 4.12Å; E768-P811 HydrophobicContact CB-CG 4.37Å; E768-P811 HydrophobicContact CG-CB 4Å; E768-P811 HydrophobicContact CG-CG 4.04Å; Y771-P811 WeakPolarHBondContact CD1-O 3.36Å; Y771-P811 WeakPolarHBondContact CE1-O 3.28Å; P811-S813 VanDerWaalsContact C-N 3.29Å; P811-S813 PolarHBondContact O-N 3.3Å |
| 812 | L | 87.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -1.6 | 179.8 | -62.6 | 175 | 0 | 0 | 0 | 114 | L764 A767 E768 H778 A781 A785 S806 L807 G810 V815 | L764-L812 HydrophobicContact CD1-CD1 4.06Å; A767-L812 HydrophobicContact CB-CD1 4.31Å; A767-L812 HydrophobicContact CB-CD2 4.4Å; E768-L812 HydrophobicContact CG-CG 4.22Å; H778-L812 PolarHBondContact NE2-O 2.94Å; A781-L812 HydrophobicContact CB-CD2 3.89Å; A785-L812 HydrophobicContact CB-CD1 3.76Å; S806-L812 PolarHBondContact O-N 3.05Å; L807-L812 HydrophobicContact CD2-CB 4.24Å; L807-L812 HydrophobicContact CD2-CD1 4.22Å; G810-L812 PolarHBondContact O-N 2.93Å; L812-V815 WeakPolarHBondContact O-CG2 3.38Å |
| 813 | S | 85.3 | Confident | 86.4 | Confident | 32 Ų | 32 | 41 Ų | 41 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | trans | -80.9 | 145.1 | 178.8 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | S806 L807 L808 G810 P811 | S806-S813 PolarHBondContact O-N 3.01Å; L807-S813 WeakPolarHBondContact O-CA 3.3Å; L807-S813 WeakPolarHBondContact O-CB 3.45Å; L807-S813 PolarHBondContact O-OG 3.25Å; L808-S813 PolarHBondContact O-OG 3.37Å; L808-S813 VanDerWaalsContact O-OG 3.05Å; G810-S813 VanDerWaalsContact O-CB 3.22Å; G810-S813 WeakPolarHBondContact O-CB 3.17Å; G810-S813 PolarHBondContact O-N 3.25Å; P811-S813 VanDerWaalsContact C-N 3.29Å; P811-S813 PolarHBondContact O-N 3.3Å | ||
| 814 | P | 85.7 | Confident | 86.4 | Confident | 100 Ų | 100 | 41.6 Ų | 41.6 | 65% | 0.649 | 26% | 0.256 | S | S | * | . | cis | -85.9 | 148.5 | 2.3 | 33.9 | -33.5 | 0 | 0 | 0 | 113.6 | H778 | H778-P814 PolarHBondContact CE1-O 3.19Å; H778-P814 PolarHBondContact NE2-O 3.43Å | ||
| 815 | V | 85.4 | Confident | 86.4 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | trans | -129.5 | 150.5 | 173.3 | -170 | 0 | 0 | 0 | 0 | 108.5 | V782 L807 L812 V819 | V782-V815 HydrophobicContact CG1-CG1 4.1Å; V782-V815 HydrophobicContact CG2-CG1 4.33Å; V782-V815 HydrophobicContact CG2-CG2 3.87Å; L807-V815 HydrophobicContact CB-CG2 4.27Å; L807-V815 HydrophobicContact CD2-CG2 3.89Å; L812-V815 WeakPolarHBondContact O-CG2 3.38Å; V815-V819 HydrophobicContact CG1-CB 3.83Å; V815-V819 HydrophobicContact CG1-CG1 3.91Å; V815-V819 HydrophobicContact CG1-CG2 4.33Å | ||
| 816 | S | 86.4 | Confident | 86.7 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | trans | -59.5 | 142.8 | 176.6 | 65.3 | 0 | 0 | 0 | 0 | 112.6 | S818 V819 V820 | S816-S818 PolarHBondContact O-N 3.02Å; S816-S818 VanDerWaalsContact O-N 3.16Å; S816-S818 PolarHBondContact OG-OG 3.21Å; S816-V819 PolarHBondContact O-N 3.37Å; S816-V819 VanDerWaalsContact O-N 3.13Å; S816-V819 WeakPolarHBondContact OG-CG2 3.49Å; S816-V820 PolarHBondContact O-N 3.27Å | ||
| 817 | D | 84.6 | Confident | 87 | Confident | 137 Ų | 137 | 46.5 Ų | 46.5 | 73% | 0.733 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.4 | -28.1 | -179.7 | -71 | -26 | 0 | 0 | 0 | 112.7 | V820 A821 | D817-V820 PolarHBondContact O-N 3.03Å; D817-A821 VanDerWaalsContact O-CB 3.27Å; D817-A821 WeakPolarHBondContact O-CB 3.16Å; D817-A821 PolarHBondContact O-N 2.89Å |
| 818 | S | 86.9 | Confident | 87.1 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 58% | 0.58 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 177.2 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | S816 A821 A822 | S816-S818 PolarHBondContact O-N 3.02Å; S816-S818 VanDerWaalsContact O-N 3.16Å; S816-S818 PolarHBondContact OG-OG 3.21Å; S818-A821 PolarHBondContact O-N 3.28Å; S818-A822 VanDerWaalsContact O-CB 3.31Å; S818-A822 WeakPolarHBondContact O-CB 3.31Å; S818-A822 PolarHBondContact O-N 3.01Å |
| 819 | V | 88.5 | Confident | 87.4 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | 177.4 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | V782 T786 V815 S816 A822 Y823 | V782-V819 HydrophobicContact CG1-CG1 3.8Å; T786-V819 HydrophobicContact CG2-CG1 4.48Å; V815-V819 HydrophobicContact CG1-CB 3.83Å; V815-V819 HydrophobicContact CG1-CG1 3.91Å; V815-V819 HydrophobicContact CG1-CG2 4.33Å; S816-V819 PolarHBondContact O-N 3.37Å; S816-V819 VanDerWaalsContact O-N 3.13Å; S816-V819 WeakPolarHBondContact OG-CG2 3.49Å; V819-A822 PolarHBondContact O-N 2.66Å; V819-Y823 WeakPolarHBondContact O-CB 3.3Å; V819-Y823 PolarHBondContact O-N 3.13Å |
| 820 | V | 88.2 | Confident | 88.1 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 176 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | L804 L807 L808 S816 D817 Y823 S824 | L804-V820 HydrophobicContact CD1-CG1 3.78Å; L807-V820 HydrophobicContact CB-CG2 4.35Å; L808-V820 HydrophobicContact CD2-CG1 3.89Å; L808-V820 HydrophobicContact CD2-CG2 4.33Å; L808-V820 HydrophobicContact CG-CG1 4.29Å; S816-V820 PolarHBondContact O-N 3.27Å; D817-V820 PolarHBondContact O-N 3.03Å; V820-Y823 PolarHBondContact O-N 3.35Å; V820-S824 VanDerWaalsContact O-CB 3.31Å; V820-S824 WeakPolarHBondContact O-CB 3.49Å; V820-S824 PolarHBondContact O-N 3.2Å |
| 821 | A | 89.2 | Confident | 88.8 | Confident | 59 Ų | 59 | 50.7 Ų | 50.7 | 49% | 0.488 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | D817 S818 S824 A825 | D817-A821 VanDerWaalsContact O-CB 3.27Å; D817-A821 WeakPolarHBondContact O-CB 3.16Å; D817-A821 PolarHBondContact O-N 2.89Å; S818-A821 PolarHBondContact O-N 3.28Å; A821-S824 PolarHBondContact O-N 2.99Å; A821-A825 WeakPolarHBondContact O-CB 3.17Å; A821-A825 PolarHBondContact O-N 3.11Å |
| 822 | A | 91.3 | Very high | 89.3 | Confident | 59 Ų | 59 | 52 Ų | 52 | 49% | 0.488 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S818 V819 S824 A825 V826 | S818-A822 VanDerWaalsContact O-CB 3.31Å; S818-A822 WeakPolarHBondContact O-CB 3.31Å; S818-A822 PolarHBondContact O-N 3.01Å; V819-A822 PolarHBondContact O-N 2.66Å; A822-S824 PolarHBondContact O-N 3.27Å; A822-A825 PolarHBondContact O-N 3.41Å; A822-V826 WeakPolarHBondContact O-CG2 3.33Å; A822-V826 PolarHBondContact O-N 3.27Å; A822-V826 VanDerWaalsContact O-N 3.1Å |
| 823 | Y | 92.2 | Very high | 89.5 | Confident | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.027 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 177.3 | -175 | -104 | 0 | 0 | 0 | 112.2 | T786 L788 C800 V803 L804 L807 V819 V820 A825 V826 C827 | T786-Y823 HydrophobicContact CG2-CD2 3.77Å; T786-Y823 HydrophobicContact CG2-CE2 4.31Å; T786-Y823 HydrophobicContact CG2-CG 4.13Å; T786-Y823 WeakPolarHBondContact O-CE2 3.39Å; L788-Y823 HydrophobicContact CD1-CD2 4.38Å; L788-Y823 HydrophobicContact CD1-CE2 3.63Å; L788-Y823 HydrophobicContact CD2-CE2 4.41Å; L788-Y823 HydrophobicContact CG-CE2 3.9Å; C800-Y823 WeakPolarHBondContact CA-OH 3.23Å; V803-Y823 HydrophobicContact CB-CE1 3.98Å; V803-Y823 WeakPolarHBondContact CB-OH 3.28Å; V803-Y823 HydrophobicContact CG1-CE1 3.83Å; V803-Y823 HydrophobicContact CG1-CE2 4.12Å; L804-Y823 HydrophobicContact CB-CD1 4.38Å; L804-Y823 HydrophobicContact CB-CE1 4.22Å; L804-Y823 HydrophobicContact CD1-CD1 4.4Å; L807-Y823 HydrophobicContact CD1-CD1 4.3Å; L807-Y823 HydrophobicContact CD1-CG 4.44Å; V819-Y823 WeakPolarHBondContact O-CB 3.3Å; V819-Y823 PolarHBondContact O-N 3.13Å; V820-Y823 PolarHBondContact O-N 3.35Å; Y823-A825 PolarHBondContact O-N 2.92Å; Y823-V826 PolarHBondContact O-N 3.44Å; Y823-C827 WeakPolarHBondContact CE1-SG 3.32Å; Y823-C827 VanDerWaalsContact CZ-SG 3.53Å; Y823-C827 WeakPolarHBondContact O-CB 3.42Å; Y823-C827 PolarHBondContact O-N 2.92Å; Y823-C827 PolarHBondContact O-SG 3.07Å |
| 824 | S | 91.3 | Very high | 89.8 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 177.6 | -159.1 | 0 | 0 | 0 | 0 | 111.9 | V820 A821 A822 C827 H828 | V820-S824 VanDerWaalsContact O-CB 3.31Å; V820-S824 WeakPolarHBondContact O-CB 3.49Å; V820-S824 PolarHBondContact O-N 3.2Å; A821-S824 PolarHBondContact O-N 2.99Å; A822-S824 PolarHBondContact O-N 3.27Å; S824-C827 PolarHBondContact O-N 3.24Å; S824-H828 WeakPolarHBondContact O-CB 3.41Å; S824-H828 PolarHBondContact O-N 2.86Å |
| 825 | A | 91.9 | Very high | 90 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 52% | 0.521 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A821 A822 Y823 H828 G829 | A821-A825 WeakPolarHBondContact O-CB 3.17Å; A821-A825 PolarHBondContact O-N 3.11Å; A822-A825 PolarHBondContact O-N 3.41Å; Y823-A825 PolarHBondContact O-N 2.92Å; A825-H828 PolarHBondContact O-N 3.14Å; A825-G829 PolarHBondContact O-N 3.03Å |
| 826 | V | 92.5 | Very high | 90 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | L788 A822 Y823 H828 G829 L830 | L788-V826 HydrophobicContact CD1-CG1 3.96Å; A822-V826 WeakPolarHBondContact O-CG2 3.33Å; A822-V826 PolarHBondContact O-N 3.27Å; A822-V826 VanDerWaalsContact O-N 3.1Å; Y823-V826 PolarHBondContact O-N 3.44Å; V826-H828 VanDerWaalsContact C-N 3.31Å; V826-H828 PolarHBondContact O-N 3.2Å; V826-G829 PolarHBondContact O-N 2.76Å; V826-L830 PolarHBondContact O-N 3.29Å; V826-L830 VanDerWaalsContact O-N 3.16Å |
| 827 | C | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.9 | -34 | 178 | -71.3 | 0 | 0 | 0 | 0 | 112.8 | Y823 S824 L830 F831 F837 | Y823-C827 WeakPolarHBondContact CE1-SG 3.32Å; Y823-C827 VanDerWaalsContact CZ-SG 3.53Å; Y823-C827 WeakPolarHBondContact O-CB 3.42Å; Y823-C827 PolarHBondContact O-N 2.92Å; Y823-C827 PolarHBondContact O-SG 3.07Å; S824-C827 PolarHBondContact O-N 3.24Å; C827-L830 PolarHBondContact O-N 2.88Å; C827-F831 WeakPolarHBondContact O-CD2 3.44Å; C827-F831 PolarHBondContact O-N 3.18Å; C827-F837 HydrophobicContact CB-CB 4.3Å; C827-F837 HydrophobicContact CB-CD1 3.51Å; C827-F837 HydrophobicContact CB-CD2 3.77Å; C827-F837 HydrophobicContact CB-CE1 3.64Å; C827-F837 HydrophobicContact CB-CE2 3.9Å; C827-F837 HydrophobicContact CB-CG 3.59Å; C827-F837 HydrophobicContact CB-CZ 3.85Å |
| 828 | H | 92.6 | Very high | 90.1 | Very high | 59 Ų | 59 | 43 Ų | 43 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 174.1 | -174.7 | 59.8 | 0 | 0 | 0 | 111.7 | S824 A825 V826 L830 F831 P832 F837 H838 | S824-H828 WeakPolarHBondContact O-CB 3.41Å; S824-H828 PolarHBondContact O-N 2.86Å; A825-H828 PolarHBondContact O-N 3.14Å; V826-H828 VanDerWaalsContact C-N 3.31Å; V826-H828 PolarHBondContact O-N 3.2Å; H828-L830 VanDerWaalsContact C-N 3.32Å; H828-L830 PolarHBondContact O-N 3.36Å; H828-F831 CarbonylContact O-C 3.31Å; H828-F831 VanDerWaalsContact O-C 3.28Å; H828-F831 PolarHBondContact O-N 2.88Å; H828-P832 VanDerWaalsContact O-CA 3.27Å; H828-P832 WeakPolarHBondContact O-CA 3.3Å; H828-P832 VanDerWaalsContact O-N 3.13Å; H828-F837 HydrophobicContact CB-CB 3.95Å; H828-F837 WeakPolarHBondContact CB-O 3.2Å; H828-H838 AromaticContact CE1-CD2 3.45Å; H828-H838 PolarHBondContact CE1-CD2 3.29Å; H828-H838 VanDerWaalsContact CE1-CD2 3.45Å; H828-H838 AromaticContact CE1-NE2 3.48Å; H828-H838 PolarHBondContact CE1-NE2 3.45Å; H828-H838 AromaticContact ND1-CD2 3.52Å; H828-H838 AromaticContact ND1-NE2 3.91Å |
| 829 | G | 90.9 | Very high | 89.4 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 64% | 0.639 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.6 | -39.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A825 V826 | A825-G829 PolarHBondContact O-N 3.03Å; V826-G829 PolarHBondContact O-N 2.76Å |
| 830 | L | 90.2 | Very high | 87.7 | Confident | 92 Ų | 92 | 43.7 Ų | 43.7 | 48% | 0.482 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -75.8 | -34.6 | 177.1 | -65.7 | 175.3 | 0 | 0 | 0 | 113.2 | L788 V795 V826 C827 H828 | L788-L830 HydrophobicContact CD1-CD1 4.14Å; V795-L830 HydrophobicContact CG1-CD1 4.47Å; V826-L830 PolarHBondContact O-N 3.29Å; V826-L830 VanDerWaalsContact O-N 3.16Å; C827-L830 PolarHBondContact O-N 2.88Å; H828-L830 VanDerWaalsContact C-N 3.32Å; H828-L830 PolarHBondContact O-N 3.36Å |
| 831 | F | 91.7 | Very high | 85.4 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | trans | -130.3 | 70.3 | -174.3 | -52.8 | -67.8 | 0 | 0 | 0 | 110.9 | V795 S796 W797 C800 C827 H828 L833 A834 F837 | V795-F831 HydrophobicContact CG1-CE2 4.4Å; V795-F831 HydrophobicContact CG1-CZ 4.13Å; S796-F831 VanDerWaalsContact C-CZ 3.46Å; W797-F831 HydrophobicContact CB-CB 4.25Å; W797-F831 HydrophobicContact CB-CD1 4.16Å; W797-F831 HydrophobicContact CB-CD2 4.05Å; W797-F831 HydrophobicContact CB-CE2 4.49Å; W797-F831 HydrophobicContact CB-CG 3.87Å; C800-F831 HydrophobicContact CB-CE2 4.45Å; C827-F831 WeakPolarHBondContact O-CD2 3.44Å; C827-F831 PolarHBondContact O-N 3.18Å; H828-F831 CarbonylContact O-C 3.31Å; H828-F831 VanDerWaalsContact O-C 3.28Å; H828-F831 PolarHBondContact O-N 2.88Å; F831-L833 PolarHBondContact O-N 2.72Å; F831-L833 VanDerWaalsContact O-N 3.14Å; F831-A834 HydrophobicContact CB-CB 3.79Å; F831-A834 WeakPolarHBondContact O-CB 3.24Å; F831-A834 PolarHBondContact O-N 3.4Å; F831-F837 HydrophobicContact CB-CD2 4.21Å; F831-F837 HydrophobicContact CB-CE2 4.29Å; F831-F837 HydrophobicContact CD2-CD2 4.46Å; F831-F837 AromaticContact CD2-CE2 3.94Å; F831-F837 HydrophobicContact CD2-CE2 3.94Å; F831-F837 HydrophobicContact CG-CE2 4.49Å | ||
| 832 | P | 91.1 | Very high | 82.7 | Confident | 56 Ų | 56 | 47.9 Ų | 47.9 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.6 | -172.1 | 22.8 | -33.9 | 0 | 0 | 0 | 113.2 | H828 H838 | H828-P832 VanDerWaalsContact O-CA 3.27Å; H828-P832 WeakPolarHBondContact O-CA 3.3Å; H828-P832 VanDerWaalsContact O-N 3.13Å; P832-H838 PolarHBondContact O-NE2 3.23Å |
| 833 | L | 91.5 | Very high | 79.9 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -15.5 | 177.8 | -62.6 | 177.4 | 0 | 0 | 0 | 113.3 | F396 L400 Y424 A427 N429 F831 T835 | F396-L833 HydrophobicContact CB-CD1 3.86Å; L400-L833 HydrophobicContact CD1-CD1 3.82Å; Y424-L833 HydrophobicContact CE1-CD2 4.18Å; A427-L833 HydrophobicContact CB-CB 3.71Å; A427-L833 HydrophobicContact CB-CD1 3.67Å; A427-L833 HydrophobicContact CB-CG 4.35Å; N429-L833 WeakPolarHBondContact CB-O 3.31Å; F831-L833 PolarHBondContact O-N 2.72Å; F831-L833 VanDerWaalsContact O-N 3.14Å; L833-T835 PolarHBondContact O-N 3.42Å; L833-T835 VanDerWaalsContact O-N 3.12Å |
| 834 | A | 91.7 | Very high | 76.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -78.7 | 103.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A427 W797 F831 V836 F837 H838 | A427-A834 WeakPolarHBondContact O-CA 3.37Å; A427-A834 WeakPolarHBondContact O-CB 3.35Å; A427-A834 PolarHBondContact O-N 2.92Å; W797-A834 HydrophobicContact CB-CB 4.07Å; F831-A834 HydrophobicContact CB-CB 3.79Å; F831-A834 WeakPolarHBondContact O-CB 3.24Å; F831-A834 PolarHBondContact O-N 3.4Å; A834-V836 HydrophobicContact CB-CG1 4.41Å; A834-V836 PolarHBondContact O-N 3.27Å; A834-F837 HydrophobicContact CB-CD2 3.81Å; A834-F837 HydrophobicContact CB-CE2 4.08Å; A834-F837 PolarHBondContact O-N 2.78Å; A834-H838 PolarHBondContact O-CD2 3Å | ||
| 835 | T | 89.7 | Confident | 73.9 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 31% | 0.307 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -52.9 | -27.4 | -178.3 | 51.2 | 0 | 0 | 0 | 0 | 114.6 | G428 N429 L833 F837 H838 | G428-T835 PolarHBondContact O-N 3.4Å; G428-T835 PolarHBondContact O-OG1 3.38Å; N429-T835 HydrophobicContact CB-CG2 4.08Å; N429-T835 WeakPolarHBondContact OD1-CG2 3.31Å; L833-T835 PolarHBondContact O-N 3.42Å; L833-T835 VanDerWaalsContact O-N 3.12Å; T835-F837 PolarHBondContact O-N 3.1Å; T835-H838 PolarHBondContact O-N 3.01Å |
| 836 | V | 85.8 | Confident | 70.8 | Confident | 19 Ų | 19 | 59 Ų | 59 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -64.8 | -20.3 | -179.9 | 70.3 | 0 | 0 | 0 | 0 | 114 | R801 L804 A834 L856 | R801-V836 HydrophobicContact CB-CG1 4.48Å; R801-V836 HydrophobicContact CG-CG2 4.14Å; L804-V836 HydrophobicContact CD2-CG2 4.33Å; A834-V836 HydrophobicContact CB-CG1 4.41Å; A834-V836 PolarHBondContact O-N 3.27Å; V836-L856 HydrophobicContact CG2-CD2 3.68Å |
| 837 | F | 89.9 | Confident | 67.5 | Low | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.009 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -106.2 | 3 | 179.7 | -52 | -55.5 | 0 | 0 | 0 | 113.1 | W797 C800 R801 L804 C827 H828 F831 A834 T835 | W797-F837 HydrophobicContact CB-CE2 4Å; C800-F837 HydrophobicContact CB-CE1 4.39Å; C800-F837 HydrophobicContact CB-CE2 4.42Å; C800-F837 HydrophobicContact CB-CZ 3.68Å; R801-F837 HydrophobicContact CB-CZ 4.37Å; L804-F837 HydrophobicContact CD2-CD1 4.02Å; L804-F837 HydrophobicContact CD2-CE1 3.95Å; C827-F837 HydrophobicContact CB-CB 4.3Å; C827-F837 HydrophobicContact CB-CD1 3.51Å; C827-F837 HydrophobicContact CB-CD2 3.77Å; C827-F837 HydrophobicContact CB-CE1 3.64Å; C827-F837 HydrophobicContact CB-CE2 3.9Å; C827-F837 HydrophobicContact CB-CG 3.59Å; C827-F837 HydrophobicContact CB-CZ 3.85Å; H828-F837 HydrophobicContact CB-CB 3.95Å; H828-F837 WeakPolarHBondContact CB-O 3.2Å; F831-F837 HydrophobicContact CB-CD2 4.21Å; F831-F837 HydrophobicContact CB-CE2 4.29Å; F831-F837 HydrophobicContact CD2-CD2 4.46Å; F831-F837 AromaticContact CD2-CE2 3.94Å; F831-F837 HydrophobicContact CD2-CE2 3.94Å; F831-F837 HydrophobicContact CG-CE2 4.49Å; A834-F837 HydrophobicContact CB-CD2 3.81Å; A834-F837 HydrophobicContact CB-CE2 4.08Å; A834-F837 PolarHBondContact O-N 2.78Å; T835-F837 PolarHBondContact O-N 3.1Å |
| 838 | H | 83.5 | Confident | 64.4 | Low | 59 Ų | 59 | 68 Ų | 68 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -68.7 | 137.4 | -179.8 | -82.8 | -137 | 0 | 0 | 0 | 110.7 | H828 P832 A834 T835 | H828-H838 AromaticContact CE1-CD2 3.45Å; H828-H838 PolarHBondContact CE1-CD2 3.29Å; H828-H838 VanDerWaalsContact CE1-CD2 3.45Å; H828-H838 AromaticContact CE1-NE2 3.48Å; H828-H838 PolarHBondContact CE1-NE2 3.45Å; H828-H838 AromaticContact ND1-CD2 3.52Å; H828-H838 AromaticContact ND1-NE2 3.91Å; P832-H838 PolarHBondContact O-NE2 3.23Å; A834-H838 PolarHBondContact O-CD2 3Å; T835-H838 PolarHBondContact O-N 3.01Å |
| 839 | P | 70.4 | Confident | 61.1 | Low | 70 Ų | 70 | 73.5 Ų | 73.5 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | trans | -65 | 138.1 | 173 | 24.5 | -29.6 | 0 | 0 | 0 | 109.8 | S841 A842 | P839-S841 PolarHBondContact O-N 3.35Å; P839-A842 PolarHBondContact O-N 3.17Å | ||
| 840 | L | 54.3 | Low | 58.1 | Low | 74 Ų | 74 | 72.4 Ų | 72.4 | 39% | 0.387 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -53.2 | -24.6 | -173.5 | -81.2 | 168.6 | 0 | 0 | 0 | 115.2 | A842 T850 T851 L852 | L840-A842 VanDerWaalsContact C-N 3.29Å; L840-A842 PolarHBondContact O-N 2.85Å; L840-T850 WeakPolarHBondContact CD2-O 3.11Å; L840-T851 VanDerWaalsContact CD2-C 3.45Å; L840-L852 HydrophobicContact CD1-CB 3.72Å; L840-L852 HydrophobicContact CD1-CD1 3.59Å; L840-L852 HydrophobicContact CD1-CG 3.83Å; L840-L852 HydrophobicContact CD2-CB 4.04Å; L840-L852 HydrophobicContact CD2-CG 4.01Å; L840-L852 HydrophobicContact CG-CB 4Å; L840-L852 HydrophobicContact CG-CD1 3.69Å; L840-L852 HydrophobicContact CG-CG 3.7Å |
| 841 | S | 39 | Very low | 55.3 | Low | 96 Ų | 96 | 71.2 Ų | 71.2 | 67% | 0.671 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -72.7 | -16.8 | -178.8 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | P839 | P839-S841 PolarHBondContact O-N 3.35Š|
| 842 | A | 32.5 | Very low | 52.6 | Low | 64 Ų | 64 | 72.6 Ų | 72.6 | 53% | 0.529 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -86.6 | -2.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P839 L840 T844 | P839-A842 PolarHBondContact O-N 3.17Å; L840-A842 VanDerWaalsContact C-N 3.29Å; L840-A842 PolarHBondContact O-N 2.85Å; A842-T844 VanDerWaalsContact C-N 3.33Å; A842-T844 PolarHBondContact O-N 3.45Å |
| 843 | A | 33.2 | Very low | 49.8 | Very low | 32 Ų | 32 | 75.9 Ų | 75.9 | 26% | 0.264 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -87.3 | 9.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D845 S846 | A843-D845 VanDerWaalsContact C-N 3.27Å; A843-D845 PolarHBondContact O-N 3.21Å; A843-S846 PolarHBondContact O-N 3.38Å |
| 844 | T | 27.2 | Very low | 47 | Very low | 116 Ų | 116 | 76.8 Ų | 76.8 | 71% | 0.712 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -2.3 | -169.7 | 41.5 | 0 | 0 | 0 | 0 | 116.6 | A842 S846 | A842-T844 VanDerWaalsContact C-N 3.33Å; A842-T844 PolarHBondContact O-N 3.45Å; T844-S846 VanDerWaalsContact C-N 3.31Å; T844-S846 PolarHBondContact O-N 3.27Å |
| 845 | D | 29.3 | Very low | 44.1 | Very low | 174 Ų | 174 | 79.4 Ų | 79.4 | 93% | 0.93 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 9.3 | 173.5 | -73.1 | -14 | 0 | 0 | 0 | 114 | A843 | A843-D845 VanDerWaalsContact C-N 3.27Å; A843-D845 PolarHBondContact O-N 3.21Å |
| 846 | S | 26.8 | Very low | 41.6 | Very low | 56 Ų | 56 | 78.3 Ų | 78.3 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -131.9 | 128.4 | 168.7 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | A843 T844 H848 | A843-S846 PolarHBondContact O-N 3.38Å; T844-S846 VanDerWaalsContact C-N 3.31Å; T844-S846 PolarHBondContact O-N 3.27Å; S846-H848 PolarHBondContact O-N 2.84Å |
| 847 | N | 24.8 | Very low | 39.1 | Very low | 165 Ų | 165 | 79.4 Ų | 79.4 | 88% | 0.882 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -63.8 | 34.5 | -172 | -93.4 | -26.7 | 0 | 0 | 0 | 116.7 | ||
| 848 | H | 26.8 | Very low | 36.2 | Very low | 103 Ų | 103 | 82.2 Ų | 82.2 | 48% | 0.477 | 47% | 0.466 | S | S | . | . | trans | -135.3 | 98.2 | 171.8 | -73 | -56.2 | 0 | 0 | 0 | 110.4 | S846 T850 | S846-H848 PolarHBondContact O-N 2.84Å; H848-T850 PolarHBondContact O-N 3.49Å; H848-T850 PolarHBondContact O-OG1 3.11Å; H848-T850 VanDerWaalsContact O-OG1 3.04Å | ||
| 849 | I | 23.8 | Very low | 33.9 | Very low | 174 Ų | 174 | 80.8 Ų | 80.8 | 89% | 0.892 | 46% | 0.46 | S | S | * | . | trans | -54.6 | 104.8 | 162.6 | -59.5 | 172.1 | 0 | 0 | 0 | 106.4 | ||||
| 850 | T | 26.6 | Very low | 32.1 | Very low | 39 Ų | 39 | 78.6 Ų | 78.6 | 24% | 0.239 | 44% | 0.444 | C | S | . | . | trans | -120.7 | 119.9 | 175.1 | 25.4 | 0 | 0 | 0 | 0 | 106 | L840 H848 D854 | L840-T850 WeakPolarHBondContact CD2-O 3.11Å; H848-T850 PolarHBondContact O-N 3.49Å; H848-T850 PolarHBondContact O-OG1 3.11Å; H848-T850 VanDerWaalsContact O-OG1 3.04Å; T850-D854 HydrophobicContact CG2-CB 3.48Å; T850-D854 VanDerWaalsContact CG2-CB 3.48Å | ||
| 851 | T | 31.9 | Very low | 31 | Very low | 67 Ų | 67 | 75.7 Ų | 75.7 | 41% | 0.411 | 43% | 0.432 | S | S | . | . | trans | -63.7 | 167.6 | 178.3 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | L840 Q853 D854 Q855 | L840-T851 VanDerWaalsContact CD2-C 3.45Å; T851-Q853 PolarHBondContact O-N 3.37Å; T851-D854 PolarHBondContact N-OD2 2.93Å; T851-D854 WeakPolarHBondContact O-CA 3.43Å; T851-D854 WeakPolarHBondContact O-CB 3.3Å; T851-D854 PolarHBondContact O-N 3.06Å; T851-D854 PolarHBondContact OG1-OD2 2.98Å; T851-Q855 PolarHBondContact O-N 2.85Å; T851-Q855 VanDerWaalsContact O-N 3.14Å | ||
| 852 | L | 34.9 | Very low | 30.6 | Very low | 65 Ų | 65 | 75.9 Ų | 75.9 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -55 | -31.7 | 176.1 | -119.4 | 147.9 | 0 | 0 | 0 | 110.5 | L840 D854 L856 | L840-L852 HydrophobicContact CD1-CB 3.72Å; L840-L852 HydrophobicContact CD1-CD1 3.59Å; L840-L852 HydrophobicContact CD1-CG 3.83Å; L840-L852 HydrophobicContact CD2-CB 4.04Å; L840-L852 HydrophobicContact CD2-CG 4.01Å; L840-L852 HydrophobicContact CG-CB 4Å; L840-L852 HydrophobicContact CG-CD1 3.69Å; L840-L852 HydrophobicContact CG-CG 3.7Å; L852-D854 VanDerWaalsContact C-N 3.35Å; L852-L856 HydrophobicContact CD2-CD1 4.08Å; L852-L856 WeakPolarHBondContact O-CB 3.29Å; L852-L856 WeakPolarHBondContact O-CD1 3.47Å; L852-L856 WeakPolarHBondContact O-CG 3.29Å; L852-L856 PolarHBondContact O-N 3.36Å |
| 853 | Q | 32.1 | Very low | 30.7 | Very low | 126 Ų | 126 | 76.9 Ų | 76.9 | 59% | 0.589 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.5 | -32.5 | 173.6 | -69.6 | -179 | -17.7 | 0 | 0 | 113.3 | T851 S857 | T851-Q853 PolarHBondContact O-N 3.37Å; Q853-S857 VanDerWaalsContact O-CB 3.26Å; Q853-S857 WeakPolarHBondContact O-CB 3.42Å; Q853-S857 PolarHBondContact O-N 3.23Å |
| 854 | D | 31.9 | Very low | 30.9 | Very low | 61 Ų | 61 | 76.6 Ų | 76.6 | 33% | 0.326 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -84.4 | -33.8 | -178.4 | -64.7 | -45.1 | 0 | 0 | 0 | 113.6 | T850 T851 L852 L856 S857 | T850-D854 HydrophobicContact CG2-CB 3.48Å; T850-D854 VanDerWaalsContact CG2-CB 3.48Å; T851-D854 PolarHBondContact N-OD2 2.93Å; T851-D854 WeakPolarHBondContact O-CA 3.43Å; T851-D854 WeakPolarHBondContact O-CB 3.3Å; T851-D854 PolarHBondContact O-N 3.06Å; T851-D854 PolarHBondContact OG1-OD2 2.98Å; L852-D854 VanDerWaalsContact C-N 3.35Å; D854-L856 PolarHBondContact O-N 3.07Å; D854-S857 VanDerWaalsContact CA-OG 3.3Å; D854-S857 WeakPolarHBondContact CA-OG 3.48Å; D854-S857 PolarHBondContact O-N 3.05Å; D854-S857 PolarHBondContact O-OG 2.89Å |
| 855 | Q | 32.2 | Very low | 31.1 | Very low | 56 Ų | 56 | 73 Ų | 73 | 26% | 0.262 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.6 | -28.7 | 172 | -70.5 | -166.8 | -7 | 0 | 0 | 111.8 | T851 | T851-Q855 PolarHBondContact O-N 2.85Å; T851-Q855 VanDerWaalsContact O-N 3.14Å |
| 856 | L | 36.5 | Very low | 31.1 | Very low | 27 Ų | 27 | 73 Ų | 73 | 14% | 0.141 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -83 | -26.5 | 173 | -73.4 | 165.1 | 0 | 0 | 0 | 113.2 | L808 V836 L852 D854 L858 D859 E860 | L808-L856 HydrophobicContact CD1-CD1 3.3Å; V836-L856 HydrophobicContact CG2-CD2 3.68Å; L852-L856 HydrophobicContact CD2-CD1 4.08Å; L852-L856 WeakPolarHBondContact O-CB 3.29Å; L852-L856 WeakPolarHBondContact O-CD1 3.47Å; L852-L856 WeakPolarHBondContact O-CG 3.29Å; L852-L856 PolarHBondContact O-N 3.36Å; D854-L856 PolarHBondContact O-N 3.07Å; L856-L858 VanDerWaalsContact C-N 3.29Å; L856-L858 PolarHBondContact O-N 3.19Å; L856-D859 PolarHBondContact O-N 3.38Å; L856-D859 VanDerWaalsContact O-N 3.14Å; L856-E860 WeakPolarHBondContact O-CG 3.46Å |
| 857 | S | 32.7 | Very low | 31.1 | Very low | 41 Ų | 41 | 75.5 Ų | 75.5 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.5 | -20.1 | 179 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | Q853 D854 D859 | Q853-S857 VanDerWaalsContact O-CB 3.26Å; Q853-S857 WeakPolarHBondContact O-CB 3.42Å; Q853-S857 PolarHBondContact O-N 3.23Å; D854-S857 VanDerWaalsContact CA-OG 3.3Å; D854-S857 WeakPolarHBondContact CA-OG 3.48Å; D854-S857 PolarHBondContact O-N 3.05Å; D854-S857 PolarHBondContact O-OG 2.89Å; S857-D859 PolarHBondContact O-N 3.31Å |
| 858 | L | 30 | Very low | 31.1 | Very low | 62 Ų | 62 | 73.7 Ų | 73.7 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 0.8 | 171.7 | -77.2 | 163.9 | 0 | 0 | 0 | 113.2 | K503 M504 L856 | K503-L858 WeakPolarHBondContact CB-O 3.3Å; M504-L858 HydrophobicContact CE-CD2 4.42Å; M504-L858 HydrophobicContact CG-CD2 4.13Å; L856-L858 VanDerWaalsContact C-N 3.29Å; L856-L858 PolarHBondContact O-N 3.19Å |
| 859 | D | 34.7 | Very low | 31.2 | Very low | 28 Ų | 28 | 79 Ų | 79 | 15% | 0.15 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -142.2 | 18.2 | -161.5 | -124.8 | -21.4 | 0 | 0 | 0 | 114 | R430 K503 R801 L856 S857 | R430-D859 IonicContact CZ-OD1 3.75Å; R430-D859 VanDerWaalsContact CZ-OD1 3.31Å; R430-D859 IonicContact CZ-OD2 3.55Å; R430-D859 IonicContact NH1-OD1 2.79Å; R430-D859 PolarHBondContact NH1-OD1 3.48Å; R430-D859 IonicContact NH1-OD2 2.68Å; R430-D859 PolarHBondContact NH1-OD2 2.79Å; R430-D859 IonicContact NH2-OD1 3.76Å; R430-D859 PolarHBondContact NH2-OD1 2.65Å; R430-D859 IonicContact NH2-OD2 3.59Å; R430-D859 PolarHBondContact NH2-OD2 2.67Å; K503-D859 IonicContact NZ-OD1 2.69Å; K503-D859 PolarHBondContact NZ-OD1 3.36Å; R801-D859 IonicContact CZ-OD1 3.73Å; R801-D859 IonicContact CZ-OD2 3.61Å; R801-D859 VanDerWaalsContact NH1-CG 3.33Å; R801-D859 IonicContact NH1-OD1 2.66Å; R801-D859 IonicContact NH1-OD2 3.41Å; R801-D859 PolarHBondContact NH1-OD2 2.7Å; R801-D859 PolarHBondContact NH2-O 2.99Å; R801-D859 IonicContact NH2-OD1 3.53Å; R801-D859 PolarHBondContact NH2-OD1 3.32Å; R801-D859 IonicContact NH2-OD2 3.57Å; R801-D859 PolarHBondContact NH2-OD2 3.48Å; L856-D859 PolarHBondContact O-N 3.38Å; L856-D859 VanDerWaalsContact O-N 3.14Å; S857-D859 PolarHBondContact O-N 3.31Å |
| 860 | E | 32.2 | Very low | 31.6 | Very low | 24 Ų | 24 | 74.3 Ų | 74.3 | 11% | 0.112 | 39% | 0.388 | C | S | . | . | trans | -86.1 | 131.2 | -175.4 | -66.1 | -153.5 | 156.3 | 0 | 0 | 115.5 | K503 R573 R809 L856 | K503-E860 VanDerWaalsContact CA-O 3.27Å; K503-E860 WeakPolarHBondContact CA-O 3.07Å; K503-E860 PolarHBondContact O-N 3.11Å; R573-E860 IonicContact CZ-OE2 2.97Å; R573-E860 IonicContact NH1-OE2 2.65Å; R573-E860 PolarHBondContact NH1-OE2 2.64Å; R573-E860 IonicContact NH2-OE2 2.88Å; R809-E860 VanDerWaalsContact CD-OE1 3.25Å; R809-E860 WeakPolarHBondContact CD-OE1 3.44Å; R809-E860 IonicContact CZ-OE1 3.84Å; R809-E860 IonicContact NE-OE1 2.95Å; R809-E860 IonicContact NH1-OE1 2.71Å; R809-E860 PolarHBondContact NH1-OE1 3.26Å; R809-E860 IonicContact NH1-OE2 3.28Å; L856-E860 WeakPolarHBondContact O-CG 3.46Å | ||
| 861 | G | 31.1 | Very low | 31.8 | Very low | 14 Ų | 14 | 76.1 Ų | 76.1 | 14% | 0.144 | 40% | 0.395 | C | S | . | . | trans | 157.5 | 66.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R502 | R502-G861 VanDerWaalsContact NH1-C 3.31Å; R502-G861 PolarHBondContact NH1-O 3.23Å; R502-G861 PolarHBondContact NH2-O 3.24Å | ||
| 862 | E | 32.4 | Very low | 31.8 | Very low | 99 Ų | 99 | 76.6 Ų | 76.6 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -150 | 111.5 | 159.1 | -107.2 | 172 | -174.7 | 0 | 0 | 106.9 | K565 K569 R805 | K565-E862 IonicContact NZ-OE1 3.93Å; K565-E862 PolarHBondContact NZ-OE1 3.27Å; K569-E862 IonicContact NZ-OE1 3.14Å; K569-E862 PolarHBondContact NZ-OE1 3.49Å; R805-E862 VanDerWaalsContact CZ-N 3.29Å; R805-E862 PolarHBondContact NE-O 2.9Å; R805-E862 PolarHBondContact NH1-O 3.44Å |
| 863 | F | 33.6 | Very low | 31.7 | Very low | 85 Ų | 85 | 77.3 Ų | 77.3 | 37% | 0.373 | 40% | 0.398 | S | S | . | . | trans | 36.1 | 93.8 | 175.4 | -67.8 | -81.5 | 0 | 0 | 0 | 116.5 | V676 L677 E680 | V676-F863 HydrophobicContact CG1-CZ 3.91Å; L677-F863 HydrophobicContact CD2-CE1 4.06Å; L677-F863 HydrophobicContact CD2-CE2 4.42Å; L677-F863 HydrophobicContact CD2-CZ 3.56Å; L677-F863 HydrophobicContact CG-CZ 4.28Å; E680-F863 HydrophobicContact CG-CE1 4.11Å | ||
| 864 | N | 36.9 | Very low | 31.6 | Very low | 27 Ų | 27 | 74.3 Ų | 74.3 | 14% | 0.144 | 39% | 0.386 | C | S | . | . | trans | -137.8 | 116.7 | 156.2 | -80.8 | -12 | 0 | 0 | 0 | 107.1 | R805 R809 G810 | R805-N864 PolarHBondContact NE-ND2 3.27Å; R809-N864 WeakPolarHBondContact CB-ND2 3.43Å; R809-N864 WeakPolarHBondContact O-CB 3.49Å; R809-N864 PolarHBondContact O-ND2 3.29Å; R809-N864 VanDerWaalsContact O-ND2 3.12Å; G810-N864 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 865 | V | 32.6 | Very low | 31.6 | Very low | 39 Ų | 39 | 75.1 Ų | 75.1 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | trans | -122.8 | 112.1 | 172.5 | 178.1 | 0 | 0 | 0 | 0 | 103.8 | D576 R684 L867 | D576-V865 HydrophobicContact CB-CG1 4.05Å; D576-V865 VanDerWaalsContact OD2-CG1 3.22Å; D576-V865 WeakPolarHBondContact OD2-CG1 3.31Å; D576-V865 WeakPolarHBondContact OD2-CG2 3.44Å; R684-V865 VanDerWaalsContact NH2-CG2 3.27Å; V865-L867 PolarHBondContact O-N 3.34Å | ||
| 866 | K | 27.7 | Very low | 31.6 | Very low | 175 Ų | 175 | 76.5 Ų | 76.5 | 76% | 0.761 | 40% | 0.399 | S | S | * | . | trans | -66.9 | 118.1 | 164.6 | -97.2 | -175.9 | 170.1 | -175.6 | 0 | 106.4 | T868 | K866-T868 PolarHBondContact O-N 3.09Š| ||
| 867 | L | 28.1 | Very low | 31.2 | Very low | 108 Ų | 108 | 80.3 Ų | 80.3 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | trans | -75 | 98.8 | 167.9 | -73 | 158.9 | 0 | 0 | 0 | 106.8 | F772 V865 | F772-L867 HydrophobicContact CD2-CD1 3.69Å; F772-L867 HydrophobicContact CE2-CD1 3.9Å; V865-L867 PolarHBondContact O-N 3.34Å | ||
| 868 | T | 25.2 | Very low | 31.1 | Very low | 128 Ų | 128 | 83.6 Ų | 83.6 | 79% | 0.785 | 43% | 0.43 | S | S | * | . | trans | -85.1 | 114.2 | 151.6 | 16.4 | 0 | 0 | 0 | 0 | 106.3 | K866 | K866-T868 PolarHBondContact O-N 3.09Š| ||
| 869 | I | 28.4 | Very low | 31.2 | Very low | 214 Ų | 214 | 85.5 Ų | 85.5 | 100% | 1.097 | 44% | 0.439 | S | S | * | . | trans | -55.1 | 0 | 166.8 | -61.9 | 172.9 | 0 | 0 | 0 | 109.2 |
Retrieved 869 of 869 residues in 323.1 ms
(Link to these results)