| 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 | 31.9 | Very low | 59.9 | Low | 241 Ų | 241 | 135 Ų | 135 | 100% | 1.187 | 71% | 0.713 | S | S | * | * | 0 | 96.4 | 0 | -66.5 | -55.2 | -169.5 | 0 | 0 | 109.7 | |||||
| 2 | T | 36.3 | Very low | 61.9 | Low | 143 Ų | 143 | 129.3 Ų | 129.3 | 88% | 0.877 | 68% | 0.68 | S | S | * | * | trans | -86.1 | 107.5 | 170.3 | 44.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3 | S | 33.8 | Very low | 63.7 | Low | 104 Ų | 104 | 122.7 Ų | 122.7 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 139.6 | 168.2 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | A5 | S3-A5 PolarHBondContact O-N 3.09Š|
| 4 | P | 44.3 | Very low | 65.4 | Low | 116 Ų | 116 | 115.1 Ų | 115.1 | 75% | 0.753 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 125.7 | 177.6 | 24.3 | -33.9 | 0 | 0 | 0 | 110 | K6 | P4-K6 PolarHBondContact O-N 3.31Å; P4-K6 VanDerWaalsContact O-N 3.12Å |
| 5 | A | 56.4 | Low | 66.8 | Low | 102 Ų | 102 | 110.7 Ų | 110.7 | 84% | 0.843 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 119.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S3 F7 | S3-A5 PolarHBondContact O-N 3.09Å; A5-F7 PolarHBondContact O-N 3.08Å |
| 6 | K | 67.1 | Low | 68.2 | Low | 145 Ų | 145 | 109.1 Ų | 109.1 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 128.6 | 179.9 | -77.3 | -176.2 | 166.1 | -166.9 | 0 | 110.4 | P4 K8 E12 | P4-K6 PolarHBondContact O-N 3.31Å; P4-K6 VanDerWaalsContact O-N 3.12Å; K6-K8 HydrophobicContact CB-CG 3.79Å; K6-K8 PolarHBondContact O-N 3.18Å; K6-E12 IonicContact NZ-OE1 3.21Å; K6-E12 PolarHBondContact NZ-OE1 3.1Å |
| 7 | F | 73.4 | Confident | 69.6 | Low | 171 Ų | 171 | 104.2 Ų | 104.2 | 75% | 0.75 | 55% | 0.551 | S | S | * | * | trans | -75.1 | 75.4 | 168.3 | -175 | -97.2 | 0 | 0 | 0 | 109.8 | A5 K9 | A5-F7 PolarHBondContact O-N 3.08Å; F7-K9 HydrophobicContact CE1-CG 4.43Å | ||
| 8 | K | 79.2 | Confident | 70.8 | Confident | 71 Ų | 71 | 101.8 Ų | 101.8 | 31% | 0.309 | 54% | 0.539 | S | S | . | . | trans | -72.4 | 147.2 | 179.7 | -54.5 | -162.2 | -174.1 | -171.9 | 0 | 111.2 | K6 E12 I13 E16 | K6-K8 HydrophobicContact CB-CG 3.79Å; K6-K8 PolarHBondContact O-N 3.18Å; K8-E12 WeakPolarHBondContact CA-OE2 3.48Å; K8-E12 HydrophobicContact CB-CB 4.41Å; K8-E12 HydrophobicContact CB-CG 4.47Å; K8-E12 HydrophobicContact CD-CG 4.13Å; K8-E12 HydrophobicContact CG-CG 4.39Å; K8-I13 HydrophobicContact CB-CD1 3.94Å; K8-I13 HydrophobicContact CB-CG1 3.58Å; K8-I13 HydrophobicContact CD-CG1 4.07Å; K8-I13 HydrophobicContact CG-CG1 4.47Å; K8-E16 IonicContact NZ-OE1 2.63Å; K8-E16 PolarHBondContact NZ-OE1 3.17Å; K8-E16 IonicContact NZ-OE2 3.35Å; K8-E16 PolarHBondContact NZ-OE2 2.77Å | ||
| 9 | K | 78.4 | Confident | 71.9 | Confident | 147 Ų | 147 | 100.2 Ų | 100.2 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | trans | -108.1 | 162.3 | 170.6 | -67.8 | -179.6 | -178 | 174 | 0 | 110 | F7 K11 E12 I13 | F7-K9 HydrophobicContact CE1-CG 4.43Å; K9-K11 VanDerWaalsContact C-N 3.3Å; K9-K11 PolarHBondContact O-N 2.71Å; K9-K11 VanDerWaalsContact O-N 3.12Å; K9-E12 WeakPolarHBondContact O-CB 3.48Å; K9-E12 PolarHBondContact O-N 2.89Å; K9-I13 PolarHBondContact O-N 2.92Å | ||
| 10 | D | 78.6 | Confident | 72.9 | Confident | 63 Ų | 63 | 100.7 Ų | 100.7 | 34% | 0.337 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -35.1 | -56.6 | 177 | 177.1 | 64.8 | 0 | 0 | 0 | 113.7 | E12 I13 I14 H168 | D10-E12 VanDerWaalsContact C-N 3.31Å; D10-E12 PolarHBondContact O-N 3.43Å; D10-I13 PolarHBondContact O-N 3.43Å; D10-I14 VanDerWaalsContact O-CB 3.28Å; D10-I14 WeakPolarHBondContact O-CB 3.38Å; D10-I14 VanDerWaalsContact O-CG1 3.24Å; D10-I14 WeakPolarHBondContact O-CG1 3.19Å; D10-I14 PolarHBondContact O-N 3.44Å; D10-H168 HydrophobicContact CB-CB 4.08Å; D10-H168 IonicContact OD1-CE1 2.6Å; D10-H168 IonicContact OD1-CG 2.67Å; D10-H168 IonicContact OD1-ND1 2.62Å; D10-H168 PolarHBondContact OD1-ND1 2.64Å |
| 11 | K | 79.3 | Confident | 73.9 | Confident | 182 Ų | 182 | 96.3 Ų | 96.3 | 79% | 0.791 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.8 | -31.4 | 179.2 | -68.8 | -167.4 | 173.8 | -167.9 | 0 | 115.9 | K9 A15 | K9-K11 VanDerWaalsContact C-N 3.3Å; K9-K11 PolarHBondContact O-N 2.71Å; K9-K11 VanDerWaalsContact O-N 3.12Å; K11-A15 VanDerWaalsContact O-CB 3.23Å; K11-A15 WeakPolarHBondContact O-CB 3.44Å; K11-A15 PolarHBondContact O-N 2.92Å |
| 12 | E | 84.3 | Confident | 76.9 | Confident | 67 Ų | 67 | 90.4 Ų | 90.4 | 31% | 0.313 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.9 | -49.2 | 178.6 | -172.7 | -177.7 | 173.8 | 0 | 0 | 109.7 | K6 K8 K9 D10 I14 A15 E16 | K6-E12 IonicContact NZ-OE1 3.21Å; K6-E12 PolarHBondContact NZ-OE1 3.1Å; K8-E12 WeakPolarHBondContact CA-OE2 3.48Å; K8-E12 HydrophobicContact CB-CB 4.41Å; K8-E12 HydrophobicContact CB-CG 4.47Å; K8-E12 HydrophobicContact CD-CG 4.13Å; K8-E12 HydrophobicContact CG-CG 4.39Å; K9-E12 WeakPolarHBondContact O-CB 3.48Å; K9-E12 PolarHBondContact O-N 2.89Å; D10-E12 VanDerWaalsContact C-N 3.31Å; D10-E12 PolarHBondContact O-N 3.43Å; E12-I14 PolarHBondContact O-N 3.04Å; E12-A15 PolarHBondContact O-N 3.18Å; E12-E16 WeakPolarHBondContact O-CG 3.49Å; E12-E16 PolarHBondContact O-N 3.13Å |
| 13 | I | 84.5 | Confident | 79.7 | Confident | 43 Ų | 43 | 89.6 Ų | 89.6 | 22% | 0.221 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | -178.7 | -53.4 | 171.6 | 0 | 0 | 0 | 110.9 | K8 K9 D10 Y17 M164 | K8-I13 HydrophobicContact CB-CD1 3.94Å; K8-I13 HydrophobicContact CB-CG1 3.58Å; K8-I13 HydrophobicContact CD-CG1 4.07Å; K8-I13 HydrophobicContact CG-CG1 4.47Å; K9-I13 PolarHBondContact O-N 2.92Å; D10-I13 PolarHBondContact O-N 3.43Å; I13-Y17 WeakPolarHBondContact O-CB 3.42Å; I13-Y17 PolarHBondContact O-N 3.15Å; I13-M164 HydrophobicContact CG2-CE 3.64Å |
| 14 | I | 87.9 | Confident | 82.6 | Confident | 17 Ų | 17 | 85.5 Ų | 85.5 | 9% | 0.087 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.1 | -34.3 | 179.3 | -67.5 | -69.2 | 0 | 0 | 0 | 111.6 | D10 E12 D18 Y161 M164 | D10-I14 VanDerWaalsContact O-CB 3.28Å; D10-I14 WeakPolarHBondContact O-CB 3.38Å; D10-I14 VanDerWaalsContact O-CG1 3.24Å; D10-I14 WeakPolarHBondContact O-CG1 3.19Å; D10-I14 PolarHBondContact O-N 3.44Å; E12-I14 PolarHBondContact O-N 3.04Å; I14-D18 WeakPolarHBondContact O-CB 3.37Å; I14-D18 PolarHBondContact O-N 3.48Å; I14-Y161 HydrophobicContact CD1-CD2 4.37Å; I14-Y161 HydrophobicContact CD1-CE2 4.39Å; I14-Y161 HydrophobicContact CG2-CD2 4.22Å; I14-Y161 HydrophobicContact CG2-CE2 3.42Å; I14-Y161 VanDerWaalsContact CG2-CE2 3.42Å; I14-M164 HydrophobicContact CD1-CB 4.14Å; I14-M164 HydrophobicContact CD1-CE 4.22Å |
| 15 | A | 86.8 | Confident | 85 | Confident | 49 Ų | 49 | 86.1 Ų | 86.1 | 41% | 0.405 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -72.4 | -39.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K11 E12 Y17 T19 | K11-A15 VanDerWaalsContact O-CB 3.23Å; K11-A15 WeakPolarHBondContact O-CB 3.44Å; K11-A15 PolarHBondContact O-N 2.92Å; E12-A15 PolarHBondContact O-N 3.18Å; A15-Y17 VanDerWaalsContact C-N 3.34Å; A15-T19 PolarHBondContact O-N 3.33Å; A15-T19 PolarHBondContact O-OG1 3.34Å |
| 16 | E | 89.2 | Confident | 86.9 | Confident | 85 Ų | 85 | 84 Ų | 84 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 171.6 | -70.9 | 172.5 | 159.5 | 0 | 0 | 111 | K8 E12 T19 Q20 | K8-E16 IonicContact NZ-OE1 2.63Å; K8-E16 PolarHBondContact NZ-OE1 3.17Å; K8-E16 IonicContact NZ-OE2 3.35Å; K8-E16 PolarHBondContact NZ-OE2 2.77Å; E12-E16 WeakPolarHBondContact O-CG 3.49Å; E12-E16 PolarHBondContact O-N 3.13Å; E16-T19 WeakPolarHBondContact O-CB 3.49Å; E16-T19 PolarHBondContact O-N 3.28Å; E16-Q20 PolarHBondContact O-N 2.87Å |
| 17 | Y | 91.1 | Very high | 88.2 | Confident | 26 Ų | 26 | 81.6 Ų | 81.6 | 10% | 0.102 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 178.4 | -175 | -108.2 | 0 | 0 | 0 | 113.4 | I13 A15 T19 Q20 V21 L157 L160 Y161 M164 | I13-Y17 WeakPolarHBondContact O-CB 3.42Å; I13-Y17 PolarHBondContact O-N 3.15Å; A15-Y17 VanDerWaalsContact C-N 3.34Å; Y17-T19 PolarHBondContact O-N 3.4Å; Y17-Q20 PolarHBondContact O-N 3.41Å; Y17-Q20 VanDerWaalsContact O-N 3.13Å; Y17-V21 HydrophobicContact CD1-CG2 4.08Å; Y17-V21 HydrophobicContact CE1-CG2 3.56Å; Y17-V21 HydrophobicContact CE2-CG2 4.04Å; Y17-V21 WeakPolarHBondContact O-CG2 3.31Å; Y17-V21 PolarHBondContact O-N 3.47Å; Y17-L157 WeakPolarHBondContact OH-CA 3.23Å; Y17-L157 WeakPolarHBondContact OH-CD2 3.18Å; Y17-L157 PolarHBondContact OH-O 2.8Å; Y17-L160 HydrophobicContact CE2-CD2 3.95Å; Y17-Y161 HydrophobicContact CD1-CD2 4.37Å; Y17-M164 HydrophobicContact CD1-SD 4.1Å; Y17-M164 HydrophobicContact CD2-SD 4.33Å; Y17-M164 HydrophobicContact CE1-SD 4.43Å; Y17-M164 HydrophobicContact CG-CE 4.14Å; Y17-M164 HydrophobicContact CG-SD 4.05Å |
| 18 | D | 91.1 | Very high | 89.3 | Confident | 61 Ų | 61 | 73.7 Ų | 73.7 | 33% | 0.326 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.7 | -30.3 | 175.7 | 170.1 | 68.1 | 0 | 0 | 0 | 112.4 | I14 K22 | I14-D18 WeakPolarHBondContact O-CB 3.37Å; I14-D18 PolarHBondContact O-N 3.48Å; D18-K22 VanDerWaalsContact CG-NZ 3.33Å; D18-K22 WeakPolarHBondContact O-CD 3.49Å; D18-K22 VanDerWaalsContact O-CG 3.26Å; D18-K22 WeakPolarHBondContact O-CG 3.49Å; D18-K22 PolarHBondContact O-N 2.88Å; D18-K22 VanDerWaalsContact O-N 3.14Å; D18-K22 VanDerWaalsContact OD1-CE 3.27Å; D18-K22 WeakPolarHBondContact OD1-CE 3.38Å; D18-K22 IonicContact OD1-NZ 3.39Å; D18-K22 PolarHBondContact OD1-NZ 3.12Å; D18-K22 WeakPolarHBondContact OD2-CE 3.22Å; D18-K22 IonicContact OD2-NZ 3.84Å; D18-K22 PolarHBondContact OD2-NZ 3.12Å |
| 19 | T | 93.3 | Very high | 90.1 | Very high | 70 Ų | 70 | 73.9 Ų | 73.9 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.2 | -50.9 | 171.8 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | A15 E16 Y17 V21 K22 E23 | A15-T19 PolarHBondContact O-N 3.33Å; A15-T19 PolarHBondContact O-OG1 3.34Å; E16-T19 WeakPolarHBondContact O-CB 3.49Å; E16-T19 PolarHBondContact O-N 3.28Å; Y17-T19 PolarHBondContact O-N 3.4Å; T19-V21 VanDerWaalsContact C-N 3.34Å; T19-V21 PolarHBondContact O-N 2.98Å; T19-K22 WeakPolarHBondContact O-CB 3.34Å; T19-K22 PolarHBondContact O-N 3.44Å; T19-K22 VanDerWaalsContact O-N 3.1Å; T19-E23 WeakPolarHBondContact O-CG 3.24Å; T19-E23 PolarHBondContact O-N 3.24Å |
| 20 | Q | 91.3 | Very high | 91 | Very high | 110 Ų | 110 | 71.8 Ų | 71.8 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 178.8 | -167.9 | 179.4 | 11.1 | 0 | 0 | 112.8 | E16 Y17 K22 E23 I24 | E16-Q20 PolarHBondContact O-N 2.87Å; Y17-Q20 PolarHBondContact O-N 3.41Å; Y17-Q20 VanDerWaalsContact O-N 3.13Å; Q20-K22 VanDerWaalsContact C-N 3.3Å; Q20-K22 PolarHBondContact O-N 3.1Å; Q20-E23 PolarHBondContact O-N 2.84Å; Q20-I24 HydrophobicContact CG-CD1 4.38Å; Q20-I24 WeakPolarHBondContact O-CG1 3.21Å; Q20-I24 PolarHBondContact O-N 3.38Å |
| 21 | V | 94.4 | Very high | 91.7 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.8 | -31.1 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 112 | Y17 T19 R25 M154 L157 | Y17-V21 HydrophobicContact CD1-CG2 4.08Å; Y17-V21 HydrophobicContact CE1-CG2 3.56Å; Y17-V21 HydrophobicContact CE2-CG2 4.04Å; Y17-V21 WeakPolarHBondContact O-CG2 3.31Å; Y17-V21 PolarHBondContact O-N 3.47Å; T19-V21 VanDerWaalsContact C-N 3.34Å; T19-V21 PolarHBondContact O-N 2.98Å; V21-R25 WeakPolarHBondContact O-CB 3.32Å; V21-R25 PolarHBondContact O-N 3.15Å; V21-M154 HydrophobicContact CG1-CE 3.81Å; V21-L157 HydrophobicContact CG1-CB 4.44Å; V21-L157 HydrophobicContact CG2-CB 4.21Å; V21-L157 HydrophobicContact CG2-CD2 4.4Å |
| 22 | K | 94.1 | Very high | 92.3 | Very high | 117 Ų | 117 | 62.6 Ų | 62.6 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.6 | -40.2 | 172.9 | -74.5 | 163.4 | -179.6 | 165.8 | 0 | 112.4 | D18 T19 Q20 R25 A26 | D18-K22 VanDerWaalsContact CG-NZ 3.33Å; D18-K22 WeakPolarHBondContact O-CD 3.49Å; D18-K22 VanDerWaalsContact O-CG 3.26Å; D18-K22 WeakPolarHBondContact O-CG 3.49Å; D18-K22 PolarHBondContact O-N 2.88Å; D18-K22 VanDerWaalsContact O-N 3.14Å; D18-K22 VanDerWaalsContact OD1-CE 3.27Å; D18-K22 WeakPolarHBondContact OD1-CE 3.38Å; D18-K22 IonicContact OD1-NZ 3.39Å; D18-K22 PolarHBondContact OD1-NZ 3.12Å; D18-K22 WeakPolarHBondContact OD2-CE 3.22Å; D18-K22 IonicContact OD2-NZ 3.84Å; D18-K22 PolarHBondContact OD2-NZ 3.12Å; T19-K22 WeakPolarHBondContact O-CB 3.34Å; T19-K22 PolarHBondContact O-N 3.44Å; T19-K22 VanDerWaalsContact O-N 3.1Å; Q20-K22 VanDerWaalsContact C-N 3.3Å; Q20-K22 PolarHBondContact O-N 3.1Å; K22-R25 PolarHBondContact O-N 3.34Å; K22-A26 WeakPolarHBondContact O-CB 3.36Å; K22-A26 PolarHBondContact O-N 3.24Å |
| 23 | E | 94.6 | Very high | 92.8 | Very high | 125 Ų | 125 | 64.2 Ų | 64.2 | 58% | 0.584 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.7 | -47.9 | 173.9 | -70.2 | 167.8 | 178.8 | 0 | 0 | 111 | T19 Q20 A26 Q27 | T19-E23 WeakPolarHBondContact O-CG 3.24Å; T19-E23 PolarHBondContact O-N 3.24Å; Q20-E23 PolarHBondContact O-N 2.84Å; E23-A26 PolarHBondContact O-N 2.9Å; E23-Q27 PolarHBondContact O-N 2.82Å |
| 24 | I | 94.9 | Very high | 93.2 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.8 | -54 | 173.6 | -68.3 | 165 | 0 | 0 | 0 | 110.1 | Q20 A26 Q27 L28 L157 | Q20-I24 HydrophobicContact CG-CD1 4.38Å; Q20-I24 WeakPolarHBondContact O-CG1 3.21Å; Q20-I24 PolarHBondContact O-N 3.38Å; I24-A26 VanDerWaalsContact C-N 3.29Å; I24-A26 PolarHBondContact O-N 2.99Å; I24-Q27 CarbonylContact O-C 3.6Å; I24-Q27 WeakPolarHBondContact O-CA 3.47Å; I24-Q27 WeakPolarHBondContact O-CB 3.35Å; I24-Q27 PolarHBondContact O-N 2.99Å; I24-L28 HydrophobicContact CG2-CD1 4.16Å; I24-L28 HydrophobicContact CG2-CD2 4.47Å; I24-L28 HydrophobicContact CG2-CG 4.09Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 2.8Å; I24-L157 HydrophobicContact CD1-CD1 4.08Å; I24-L157 HydrophobicContact CD1-CD2 4.31Å; I24-L157 HydrophobicContact CG2-CD1 3.97Å |
| 25 | R | 95.2 | Very high | 93.3 | Very high | 128 Ų | 128 | 66 Ų | 66 | 48% | 0.483 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58 | -38.5 | -178.5 | -169.2 | -174.6 | -59.2 | -167.2 | 2.3 | 113.2 | V21 K22 L28 T29 M154 | V21-R25 WeakPolarHBondContact O-CB 3.32Å; V21-R25 PolarHBondContact O-N 3.15Å; K22-R25 PolarHBondContact O-N 3.34Å; R25-L28 PolarHBondContact O-N 3.01Å; R25-T29 PolarHBondContact O-N 2.88Å; R25-T29 VanDerWaalsContact O-N 3.1Å; R25-T29 PolarHBondContact O-OG1 3.19Å; R25-M154 HydrophobicContact CB-SD 4.01Å; R25-M154 HydrophobicContact CG-SD 4.22Å |
| 26 | A | 95.4 | Very high | 93.5 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 49% | 0.488 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K22 E23 I24 T29 E30 | K22-A26 WeakPolarHBondContact O-CB 3.36Å; K22-A26 PolarHBondContact O-N 3.24Å; E23-A26 PolarHBondContact O-N 2.9Å; I24-A26 VanDerWaalsContact C-N 3.29Å; I24-A26 PolarHBondContact O-N 2.99Å; A26-T29 WeakPolarHBondContact O-CB 3.32Å; A26-T29 PolarHBondContact O-N 3.19Å; A26-E30 PolarHBondContact O-N 2.86Å |
| 27 | Q | 96 | Very high | 93.7 | Very high | 94 Ų | 94 | 66.8 Ų | 66.8 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 176.8 | -165.5 | -178.7 | 21.3 | 0 | 0 | 112.8 | E23 I24 T29 E30 Q31 Y268 | E23-Q27 PolarHBondContact O-N 2.82Å; I24-Q27 CarbonylContact O-C 3.6Å; I24-Q27 WeakPolarHBondContact O-CA 3.47Å; I24-Q27 WeakPolarHBondContact O-CB 3.35Å; I24-Q27 PolarHBondContact O-N 2.99Å; Q27-T29 VanDerWaalsContact C-N 3.28Å; Q27-T29 PolarHBondContact O-N 3.13Å; Q27-E30 PolarHBondContact O-N 2.94Å; Q27-E30 VanDerWaalsContact O-N 3.17Å; Q27-Q31 WeakPolarHBondContact O-CG 3.31Å; Q27-Q31 PolarHBondContact O-N 3.11Å; Q27-Y268 VanDerWaalsContact OE1-CE1 3.23Å; Q27-Y268 PolarHBondContact OE1-OH 3.1Å |
| 28 | L | 96 | Very high | 93.6 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 174.3 | -63.3 | -170.9 | 0 | 0 | 0 | 111.3 | I24 R25 E30 Q31 M32 Q150 L153 M154 Y267 | I24-L28 HydrophobicContact CG2-CD1 4.16Å; I24-L28 HydrophobicContact CG2-CD2 4.47Å; I24-L28 HydrophobicContact CG2-CG 4.09Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 2.8Å; R25-L28 PolarHBondContact O-N 3.01Å; L28-E30 VanDerWaalsContact C-N 3.35Å; L28-E30 PolarHBondContact O-N 3.48Å; L28-Q31 PolarHBondContact O-N 3.39Å; L28-M32 PolarHBondContact O-N 3.46Å; L28-Q150 HydrophobicContact CB-CG 4.19Å; L28-Q150 HydrophobicContact CD1-CB 4.12Å; L28-Q150 HydrophobicContact CD1-CG 4.15Å; L28-Q150 HydrophobicContact CD2-CG 4.2Å; L28-Q150 HydrophobicContact CG-CG 4.39Å; L28-Q150 PolarHBondContact O-NE2 3.16Å; L28-Q150 PolarHBondContact O-OE1 3.1Å; L28-L153 HydrophobicContact CD1-CD2 4.29Å; L28-L153 HydrophobicContact CD2-CD2 4.22Å; L28-M154 HydrophobicContact CD1-CG 3.89Å; L28-M154 HydrophobicContact CD1-SD 4.03Å; L28-Y267 HydrophobicContact CD2-CD1 4.2Å; L28-Y267 HydrophobicContact CD2-CE1 3.38Å |
| 29 | T | 95.5 | Very high | 93.4 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 176.5 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | R25 A26 Q27 M32 K33 | R25-T29 PolarHBondContact O-N 2.88Å; R25-T29 VanDerWaalsContact O-N 3.1Å; R25-T29 PolarHBondContact O-OG1 3.19Å; A26-T29 WeakPolarHBondContact O-CB 3.32Å; A26-T29 PolarHBondContact O-N 3.19Å; Q27-T29 VanDerWaalsContact C-N 3.28Å; Q27-T29 PolarHBondContact O-N 3.13Å; T29-M32 PolarHBondContact O-N 3.05Å; T29-K33 PolarHBondContact O-N 3.36Å |
| 30 | E | 96.6 | Very high | 93.3 | Very high | 104 Ų | 104 | 70.9 Ų | 70.9 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.1 | -36.2 | 179.3 | -147.9 | 63.8 | -135 | 0 | 0 | 112.8 | A26 Q27 L28 M32 K33 C34 | A26-E30 PolarHBondContact O-N 2.86Å; Q27-E30 PolarHBondContact O-N 2.94Å; Q27-E30 VanDerWaalsContact O-N 3.17Å; L28-E30 VanDerWaalsContact C-N 3.35Å; L28-E30 PolarHBondContact O-N 3.48Å; E30-M32 VanDerWaalsContact C-N 3.3Å; E30-M32 PolarHBondContact O-N 3.18Å; E30-K33 PolarHBondContact O-N 2.97Å; E30-K33 IonicContact OE1-NZ 2.74Å; E30-K33 PolarHBondContact OE1-NZ 2.95Å; E30-K33 WeakPolarHBondContact OE2-CE 3.18Å; E30-K33 IonicContact OE2-NZ 2.68Å; E30-K33 PolarHBondContact OE2-NZ 3.01Å; E30-C34 WeakPolarHBondContact O-CB 3.46Å; E30-C34 PolarHBondContact O-N 3.01Å |
| 31 | Q | 94.3 | Very high | 93.4 | Very high | 35 Ų | 35 | 70.2 Ų | 70.2 | 16% | 0.164 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 171.6 | -73.9 | 165.4 | -14.9 | 0 | 0 | 111 | Q27 L28 C34 L35 Y267 L272 | Q27-Q31 WeakPolarHBondContact O-CG 3.31Å; Q27-Q31 PolarHBondContact O-N 3.11Å; L28-Q31 PolarHBondContact O-N 3.39Å; Q31-C34 WeakPolarHBondContact O-CB 3.42Å; Q31-C34 PolarHBondContact O-N 3.42Å; Q31-L35 WeakPolarHBondContact O-CG 3.4Å; Q31-L35 PolarHBondContact O-N 2.89Å; Q31-L35 VanDerWaalsContact O-N 3.12Å; Q31-Y267 PolarHBondContact OE1-OH 2.93Å; Q31-Y267 VanDerWaalsContact OE1-OH 3.13Å; Q31-L272 HydrophobicContact CB-CD1 4.48Å; Q31-L272 VanDerWaalsContact CD-CD1 3.44Å; Q31-L272 HydrophobicContact CG-CD1 4.04Å |
| 32 | M | 92.6 | Very high | 93.3 | Very high | 16 Ų | 16 | 72.1 Ų | 72.1 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 178.7 | -168.7 | 60.6 | 70.7 | 0 | 0 | 112.3 | L28 T29 E30 C34 L35 D36 K143 Q147 | L28-M32 PolarHBondContact O-N 3.46Å; T29-M32 PolarHBondContact O-N 3.05Å; E30-M32 VanDerWaalsContact C-N 3.3Å; E30-M32 PolarHBondContact O-N 3.18Å; M32-C34 VanDerWaalsContact C-N 3.31Å; M32-C34 PolarHBondContact O-N 3.33Å; M32-L35 PolarHBondContact O-N 2.95Å; M32-D36 PolarHBondContact O-N 3.13Å; M32-K143 HydrophobicContact SD-CD 4.27Å; M32-K143 HydrophobicContact SD-CG 3.8Å; M32-Q147 HydrophobicContact CE-CB 4.42Å |
| 33 | K | 94.6 | Very high | 93.1 | Very high | 102 Ų | 102 | 69 Ų | 69 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 174 | -67.6 | -171.6 | -130.2 | 152.8 | 0 | 112.8 | T29 E30 L35 D36 Q37 | T29-K33 PolarHBondContact O-N 3.36Å; E30-K33 PolarHBondContact O-N 2.97Å; E30-K33 IonicContact OE1-NZ 2.74Å; E30-K33 PolarHBondContact OE1-NZ 2.95Å; E30-K33 WeakPolarHBondContact OE2-CE 3.18Å; E30-K33 IonicContact OE2-NZ 2.68Å; E30-K33 PolarHBondContact OE2-NZ 3.01Å; K33-L35 VanDerWaalsContact C-N 3.35Å; K33-D36 PolarHBondContact O-N 2.76Å; K33-Q37 WeakPolarHBondContact O-CB 3.45Å; K33-Q37 PolarHBondContact O-N 3.06Å |
| 34 | C | 93.4 | Very high | 93.2 | Very high | 65 Ų | 65 | 67.9 Ų | 67.9 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 177.6 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | E30 Q31 M32 Q37 Q38 | E30-C34 WeakPolarHBondContact O-CB 3.46Å; E30-C34 PolarHBondContact O-N 3.01Å; Q31-C34 WeakPolarHBondContact O-CB 3.42Å; Q31-C34 PolarHBondContact O-N 3.42Å; M32-C34 VanDerWaalsContact C-N 3.31Å; M32-C34 PolarHBondContact O-N 3.33Å; C34-Q37 PolarHBondContact O-N 2.9Å; C34-Q38 VanDerWaalsContact O-CG 3.3Å; C34-Q38 WeakPolarHBondContact O-CG 3.28Å; C34-Q38 PolarHBondContact O-N 2.98Å |
| 35 | L | 89.6 | Confident | 93.3 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.2 | -65.8 | 175 | 0 | 0 | 0 | 112.4 | Q31 M32 K33 Q38 C39 F139 L275 I276 | Q31-L35 WeakPolarHBondContact O-CG 3.4Å; Q31-L35 PolarHBondContact O-N 2.89Å; Q31-L35 VanDerWaalsContact O-N 3.12Å; M32-L35 PolarHBondContact O-N 2.95Å; K33-L35 VanDerWaalsContact C-N 3.35Å; L35-Q38 PolarHBondContact O-N 3.19Å; L35-C39 PolarHBondContact O-N 2.86Å; L35-F139 HydrophobicContact CB-CE2 4.22Å; L35-F139 VanDerWaalsContact O-CE2 3.31Å; L35-F139 WeakPolarHBondContact O-CE2 3.44Å; L35-L275 HydrophobicContact CD1-CD2 4.12Å; L35-I276 HydrophobicContact CD2-CD1 4.48Å; L35-I276 HydrophobicContact CD2-CG1 4.03Å |
| 36 | D | 90.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 64.8 Ų | 64.8 | 21% | 0.214 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.4 | -52.9 | 171.8 | -77.9 | -36.6 | 0 | 0 | 0 | 111.5 | M32 K33 Q38 C39 E40 F139 K143 | M32-D36 PolarHBondContact O-N 3.13Å; K33-D36 PolarHBondContact O-N 2.76Å; D36-Q38 VanDerWaalsContact C-N 3.33Å; D36-Q38 PolarHBondContact O-N 3.33Å; D36-C39 WeakPolarHBondContact O-CB 3.46Å; D36-C39 PolarHBondContact O-N 3.3Å; D36-C39 VanDerWaalsContact O-N 3.08Å; D36-E40 PolarHBondContact O-N 3.18Å; D36-F139 HydrophobicContact CB-CZ 4.49Å; D36-F139 WeakPolarHBondContact OD1-CE1 3.31Å; D36-F139 VanDerWaalsContact OD1-CZ 3.28Å; D36-F139 WeakPolarHBondContact OD1-CZ 3.31Å; D36-K143 WeakPolarHBondContact OD1-CE 3.43Å; D36-K143 IonicContact OD1-NZ 3.12Å; D36-K143 PolarHBondContact OD1-NZ 3.04Å; D36-K143 IonicContact OD2-NZ 3.84Å; D36-K143 PolarHBondContact OD2-NZ 3.28Å |
| 37 | Q | 93.3 | Very high | 93.4 | Very high | 112 Ų | 112 | 65.2 Ų | 65.2 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | -179.5 | -171 | -178.9 | 12.9 | 0 | 0 | 112.4 | K33 C34 C39 E40 L41 | K33-Q37 WeakPolarHBondContact O-CB 3.45Å; K33-Q37 PolarHBondContact O-N 3.06Å; C34-Q37 PolarHBondContact O-N 2.9Å; Q37-C39 VanDerWaalsContact C-N 3.32Å; Q37-C39 PolarHBondContact O-N 3.2Å; Q37-E40 PolarHBondContact O-N 3.28Å; Q37-L41 HydrophobicContact CG-CD1 4.26Å; Q37-L41 WeakPolarHBondContact O-CB 3.43Å; Q37-L41 VanDerWaalsContact O-CG 3.28Å; Q37-L41 WeakPolarHBondContact O-CG 3.45Å; Q37-L41 PolarHBondContact O-N 3.47Å |
| 38 | Q | 88.7 | Confident | 93.5 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.9 | -31.8 | 175.5 | -70.4 | -60.1 | -40.8 | 0 | 0 | 112.4 | C34 L35 D36 R42 | C34-Q38 VanDerWaalsContact O-CG 3.3Å; C34-Q38 WeakPolarHBondContact O-CG 3.28Å; C34-Q38 PolarHBondContact O-N 2.98Å; L35-Q38 PolarHBondContact O-N 3.19Å; D36-Q38 VanDerWaalsContact C-N 3.33Å; D36-Q38 PolarHBondContact O-N 3.33Å; Q38-R42 WeakPolarHBondContact O-CD 3.29Å; Q38-R42 VanDerWaalsContact O-CG 3.24Å; Q38-R42 WeakPolarHBondContact O-CG 3.26Å; Q38-R42 PolarHBondContact O-N 2.79Å |
| 39 | C | 87.7 | Confident | 93.7 | Very high | 18 Ų | 18 | 66 Ų | 66 | 12% | 0.122 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68 | -48.3 | 170.8 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | L35 D36 Q37 L41 R42 V43 F139 | L35-C39 PolarHBondContact O-N 2.86Å; D36-C39 WeakPolarHBondContact O-CB 3.46Å; D36-C39 PolarHBondContact O-N 3.3Å; D36-C39 VanDerWaalsContact O-N 3.08Å; Q37-C39 VanDerWaalsContact C-N 3.32Å; Q37-C39 PolarHBondContact O-N 3.2Å; C39-L41 VanDerWaalsContact C-N 3.3Å; C39-L41 PolarHBondContact O-N 2.93Å; C39-R42 PolarHBondContact O-N 3.13Å; C39-R42 VanDerWaalsContact O-N 3.09Å; C39-V43 WeakPolarHBondContact O-CG2 3.46Å; C39-V43 PolarHBondContact O-N 3.32Å; C39-F139 HydrophobicContact CB-CB 4.31Å; C39-F139 HydrophobicContact CB-CD1 3.63Å; C39-F139 HydrophobicContact CB-CD2 3.59Å; C39-F139 HydrophobicContact CB-CE1 3.79Å; C39-F139 HydrophobicContact CB-CE2 3.76Å; C39-F139 HydrophobicContact CB-CG 3.53Å; C39-F139 HydrophobicContact CB-CZ 3.87Å; C39-F139 VanDerWaalsContact SG-CB 3.52Å; C39-F139 WeakPolarHBondContact SG-CD1 3.21Å; C39-F139 WeakPolarHBondContact SG-CG 3.37Å |
| 40 | E | 91.3 | Very high | 93.8 | Very high | 137 Ų | 137 | 63.1 Ų | 63.1 | 64% | 0.64 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -55.9 | -44.8 | 178.6 | -70 | 176.2 | 169.3 | 0 | 0 | 111.6 | D36 Q37 R42 V43 Q44 | D36-E40 PolarHBondContact O-N 3.18Å; Q37-E40 PolarHBondContact O-N 3.28Å; E40-R42 PolarHBondContact O-N 3.22Å; E40-V43 PolarHBondContact O-N 3.29Å; E40-Q44 WeakPolarHBondContact O-CB 3.42Å; E40-Q44 PolarHBondContact O-N 3.33Å |
| 41 | L | 93.6 | Very high | 93.9 | Very high | 95 Ų | 95 | 61.1 Ų | 61.1 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 175.9 | -70.7 | 170.1 | 0 | 0 | 0 | 113.2 | Q37 C39 L45 | Q37-L41 HydrophobicContact CG-CD1 4.26Å; Q37-L41 WeakPolarHBondContact O-CB 3.43Å; Q37-L41 VanDerWaalsContact O-CG 3.28Å; Q37-L41 WeakPolarHBondContact O-CG 3.45Å; Q37-L41 PolarHBondContact O-N 3.47Å; C39-L41 VanDerWaalsContact C-N 3.3Å; C39-L41 PolarHBondContact O-N 2.93Å; L41-L45 WeakPolarHBondContact O-CB 3.27Å; L41-L45 PolarHBondContact O-N 2.85Å |
| 42 | R | 91 | Very high | 94.1 | Very high | 50 Ų | 50 | 65 Ų | 65 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.2 | -40.9 | 176.4 | -72.8 | 169.9 | -178.6 | -168.7 | -2.2 | 111.9 | Q38 C39 E40 L45 L46 C280 D281 Y284 | Q38-R42 WeakPolarHBondContact O-CD 3.29Å; Q38-R42 VanDerWaalsContact O-CG 3.24Å; Q38-R42 WeakPolarHBondContact O-CG 3.26Å; Q38-R42 PolarHBondContact O-N 2.79Å; C39-R42 PolarHBondContact O-N 3.13Å; C39-R42 VanDerWaalsContact O-N 3.09Å; E40-R42 PolarHBondContact O-N 3.22Å; R42-L45 PolarHBondContact O-N 3.47Å; R42-L46 VanDerWaalsContact O-CG 3.3Å; R42-L46 WeakPolarHBondContact O-CG 3.43Å; R42-L46 PolarHBondContact O-N 3.26Å; R42-C280 PolarHBondContact NH1-O 3.09Å; R42-D281 IonicContact CZ-OD1 2.62Å; R42-D281 IonicContact CZ-OD2 2.83Å; R42-D281 IonicContact NH1-OD1 3.88Å; R42-D281 PolarHBondContact NH1-OD1 3.13Å; R42-D281 IonicContact NH1-OD2 3.56Å; R42-D281 VanDerWaalsContact NH2-CG 3.25Å; R42-D281 IonicContact NH2-OD1 3.35Å; R42-D281 PolarHBondContact NH2-OD1 2.99Å; R42-D281 IonicContact NH2-OD2 2.73Å; R42-D281 PolarHBondContact NH2-OD2 3.05Å; R42-Y284 HydrophobicContact CB-CE2 4.32Å; R42-Y284 HydrophobicContact CG-CE1 4.19Å |
| 43 | V | 91.1 | Very high | 94.4 | Very high | 51 Ų | 51 | 64.4 Ų | 64.4 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 176 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | C39 E40 L46 Q47 | C39-V43 WeakPolarHBondContact O-CG2 3.46Å; C39-V43 PolarHBondContact O-N 3.32Å; E40-V43 PolarHBondContact O-N 3.29Å; V43-L46 PolarHBondContact O-N 2.93Å; V43-Q47 PolarHBondContact O-N 3.31Å |
| 44 | Q | 95.6 | Very high | 94.6 | Very high | 103 Ų | 103 | 64.9 Ų | 64.9 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 174.3 | -173.6 | 61.6 | 54.4 | 0 | 0 | 111.6 | E40 L46 Q47 D48 | E40-Q44 WeakPolarHBondContact O-CB 3.42Å; E40-Q44 PolarHBondContact O-N 3.33Å; Q44-L46 VanDerWaalsContact C-N 3.29Å; Q44-L46 PolarHBondContact O-N 3.47Å; Q44-Q47 CarbonylContact O-C 3.55Å; Q44-Q47 WeakPolarHBondContact O-CA 3.17Å; Q44-Q47 WeakPolarHBondContact O-CB 3.21Å; Q44-Q47 PolarHBondContact O-N 3.03Å; Q44-D48 PolarHBondContact NE2-OD1 2.97Å; Q44-D48 VanDerWaalsContact O-CG 3.23Å; Q44-D48 PolarHBondContact O-N 3.47Å |
| 45 | L | 96.8 | Very high | 94.8 | Very high | 81 Ų | 81 | 66.4 Ų | 66.4 | 42% | 0.424 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.6 | -39 | 177 | 177.9 | 60.6 | 0 | 0 | 0 | 112.4 | L41 R42 Q47 L49 | L41-L45 WeakPolarHBondContact O-CB 3.27Å; L41-L45 PolarHBondContact O-N 2.85Å; R42-L45 PolarHBondContact O-N 3.47Å; L45-Q47 VanDerWaalsContact C-N 3.32Å; L45-L49 HydrophobicContact CD1-CD1 4.37Å; L45-L49 HydrophobicContact CD1-CG 4.43Å; L45-L49 HydrophobicContact CG-CD1 4.21Å; L45-L49 WeakPolarHBondContact O-CB 3.38Å; L45-L49 WeakPolarHBondContact O-CD1 3.14Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.14Å; L45-L49 PolarHBondContact O-N 3.3Å |
| 46 | L | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -31.7 | 173.6 | -70.6 | 169.4 | 0 | 0 | 0 | 112.5 | R42 V43 Q44 Q50 F128 V131 Y284 | R42-L46 VanDerWaalsContact O-CG 3.3Å; R42-L46 WeakPolarHBondContact O-CG 3.43Å; R42-L46 PolarHBondContact O-N 3.26Å; V43-L46 PolarHBondContact O-N 2.93Å; Q44-L46 VanDerWaalsContact C-N 3.29Å; Q44-L46 PolarHBondContact O-N 3.47Å; L46-Q50 VanDerWaalsContact O-CG 3.28Å; L46-Q50 WeakPolarHBondContact O-CG 3.41Å; L46-Q50 PolarHBondContact O-N 3.14Å; L46-Q50 PolarHBondContact O-NE2 2.72Å; L46-F128 HydrophobicContact CD2-CD1 3.88Å; L46-V131 HydrophobicContact CD1-CG1 3.91Å; L46-V131 HydrophobicContact CD2-CB 4.32Å; L46-V131 HydrophobicContact CD2-CG1 3.84Å; L46-Y284 HydrophobicContact CD1-CE2 3.99Å; L46-Y284 HydrophobicContact CD2-CE2 4.22Å; L46-Y284 HydrophobicContact CG-CE2 4.15Å |
| 47 | Q | 97.3 | Very high | 95.6 | Very high | 69 Ų | 69 | 65.1 Ų | 65.1 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.7 | -48 | 173.8 | -173.5 | 57.6 | 44.4 | 0 | 0 | 111.3 | V43 Q44 L45 L49 Q50 D51 | V43-Q47 PolarHBondContact O-N 3.31Å; Q44-Q47 CarbonylContact O-C 3.55Å; Q44-Q47 WeakPolarHBondContact O-CA 3.17Å; Q44-Q47 WeakPolarHBondContact O-CB 3.21Å; Q44-Q47 PolarHBondContact O-N 3.03Å; L45-Q47 VanDerWaalsContact C-N 3.32Å; Q47-L49 VanDerWaalsContact C-N 3.27Å; Q47-L49 PolarHBondContact O-N 2.84Å; Q47-Q50 WeakPolarHBondContact O-CB 3.41Å; Q47-Q50 PolarHBondContact O-N 3.49Å; Q47-Q50 VanDerWaalsContact O-N 3.07Å; Q47-D51 VanDerWaalsContact NE2-CG 3.28Å; Q47-D51 PolarHBondContact NE2-OD1 3.18Å; Q47-D51 VanDerWaalsContact NE2-OD1 3.14Å; Q47-D51 PolarHBondContact NE2-OD2 2.74Å; Q47-D51 PolarHBondContact O-N 2.96Å |
| 48 | D | 98.4 | Very high | 95.9 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.8 | -41 | 177.5 | -60.9 | -22.4 | 0 | 0 | 0 | 111.2 | Q44 D51 F52 | Q44-D48 PolarHBondContact NE2-OD1 2.97Å; Q44-D48 VanDerWaalsContact O-CG 3.23Å; Q44-D48 PolarHBondContact O-N 3.47Å; D48-D51 PolarHBondContact O-N 3.13Å; D48-F52 VanDerWaalsContact O-CB 3.22Å; D48-F52 WeakPolarHBondContact O-CB 3.41Å; D48-F52 PolarHBondContact O-N 3.07Å |
| 49 | L | 98.4 | Very high | 96.3 | Very high | 32 Ų | 32 | 64.5 Ų | 64.5 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 174.3 | -76.4 | 167.1 | 0 | 0 | 0 | 112.9 | L45 Q47 F53 F128 L288 | L45-L49 HydrophobicContact CD1-CD1 4.37Å; L45-L49 HydrophobicContact CD1-CG 4.43Å; L45-L49 HydrophobicContact CG-CD1 4.21Å; L45-L49 WeakPolarHBondContact O-CB 3.38Å; L45-L49 WeakPolarHBondContact O-CD1 3.14Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.14Å; L45-L49 PolarHBondContact O-N 3.3Å; Q47-L49 VanDerWaalsContact C-N 3.27Å; Q47-L49 PolarHBondContact O-N 2.84Å; L49-F53 HydrophobicContact CD2-CE2 4.43Å; L49-F53 VanDerWaalsContact O-CD2 3.31Å; L49-F53 WeakPolarHBondContact O-CD2 3.42Å; L49-F53 PolarHBondContact O-N 2.85Å; L49-F128 HydrophobicContact CB-CD1 4.48Å; L49-F128 HydrophobicContact CB-CD2 4.12Å; L49-F128 HydrophobicContact CB-CE1 4.47Å; L49-F128 HydrophobicContact CB-CE2 4.1Å; L49-F128 HydrophobicContact CB-CG 4.32Å; L49-F128 HydrophobicContact CB-CZ 4.28Å; L49-F128 HydrophobicContact CD1-CD1 4.35Å; L49-F128 HydrophobicContact CD1-CE1 3.91Å; L49-F128 HydrophobicContact CD1-CZ 4.14Å; L49-F128 HydrophobicContact CD2-CZ 4.46Å; L49-L288 HydrophobicContact CD1-CD1 3.95Å |
| 50 | Q | 98.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.1 | -72.8 | 165.4 | 75.3 | 0 | 0 | 111.7 | L46 Q47 R54 I125 F128 V129 | L46-Q50 VanDerWaalsContact O-CG 3.28Å; L46-Q50 WeakPolarHBondContact O-CG 3.41Å; L46-Q50 PolarHBondContact O-N 3.14Å; L46-Q50 PolarHBondContact O-NE2 2.72Å; Q47-Q50 WeakPolarHBondContact O-CB 3.41Å; Q47-Q50 PolarHBondContact O-N 3.49Å; Q47-Q50 VanDerWaalsContact O-N 3.07Å; Q50-R54 WeakPolarHBondContact O-CB 3.47Å; Q50-R54 PolarHBondContact O-N 2.76Å; Q50-I125 HydrophobicContact CB-CG2 4.41Å; Q50-I125 HydrophobicContact CG-CG2 4.36Å; Q50-F128 HydrophobicContact CG-CB 3.51Å; Q50-V129 HydrophobicContact CG-CG2 4.45Å |
| 51 | D | 98.4 | Very high | 97.2 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.5 | -36.4 | -175.7 | -64.8 | -24.4 | 0 | 0 | 0 | 111.3 | Q47 D48 R54 K55 | Q47-D51 VanDerWaalsContact NE2-CG 3.28Å; Q47-D51 PolarHBondContact NE2-OD1 3.18Å; Q47-D51 VanDerWaalsContact NE2-OD1 3.14Å; Q47-D51 PolarHBondContact NE2-OD2 2.74Å; Q47-D51 PolarHBondContact O-N 2.96Å; D48-D51 PolarHBondContact O-N 3.13Å; D51-R54 PolarHBondContact O-N 3.02Å; D51-R54 IonicContact OD1-CZ 3.8Å; D51-R54 IonicContact OD1-NH1 2.69Å; D51-R54 PolarHBondContact OD1-NH1 2.98Å; D51-R54 IonicContact OD1-NH2 3.84Å; D51-R54 PolarHBondContact OD1-NH2 2.93Å; D51-K55 PolarHBondContact O-N 3.35Å |
| 52 | F | 98.8 | Very high | 97.4 | Very high | 116 Ų | 116 | 58.8 Ų | 58.8 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57 | -54.9 | 168 | 172.1 | -95.6 | 0 | 0 | 0 | 111.9 | D48 R54 K55 K56 | D48-F52 VanDerWaalsContact O-CB 3.22Å; D48-F52 WeakPolarHBondContact O-CB 3.41Å; D48-F52 PolarHBondContact O-N 3.07Å; F52-R54 VanDerWaalsContact C-N 3.28Å; F52-R54 PolarHBondContact O-N 2.68Å; F52-K55 PolarHBondContact O-N 2.92Å; F52-K55 VanDerWaalsContact O-N 3.12Å; F52-K56 HydrophobicContact CE1-CD 4.47Å; F52-K56 HydrophobicContact CZ-CD 4.41Å; F52-K56 PolarHBondContact O-N 2.78Å |
| 53 | F | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.4 | -30.4 | -178.8 | -84.8 | -69.8 | 0 | 0 | 0 | 112.5 | L49 K56 A57 Y120 I124 I125 F128 F295 | L49-F53 HydrophobicContact CD2-CE2 4.43Å; L49-F53 VanDerWaalsContact O-CD2 3.31Å; L49-F53 WeakPolarHBondContact O-CD2 3.42Å; L49-F53 PolarHBondContact O-N 2.85Å; F53-K56 PolarHBondContact O-N 2.85Å; F53-A57 VanDerWaalsContact O-CB 3.32Å; F53-A57 WeakPolarHBondContact O-CB 3.26Å; F53-A57 PolarHBondContact O-N 3.05Å; F53-Y120 AromaticContact CD1-CD1 3.98Å; F53-Y120 HydrophobicContact CD1-CD1 3.98Å; F53-Y120 HydrophobicContact CD1-CD2 4.22Å; F53-Y120 HydrophobicContact CD1-CE1 4.19Å; F53-Y120 HydrophobicContact CD1-CE2 4.43Å; F53-Y120 AromaticContact CD1-CG 3.98Å; F53-Y120 HydrophobicContact CD1-CG 3.98Å; F53-Y120 HydrophobicContact CE1-CD1 4.26Å; F53-Y120 HydrophobicContact CE1-CE1 4.07Å; F53-I124 HydrophobicContact CD1-CG2 4.32Å; F53-I124 HydrophobicContact CD2-CG2 3.97Å; F53-I124 HydrophobicContact CE1-CD1 4.47Å; F53-I124 HydrophobicContact CE1-CG2 4.49Å; F53-I124 HydrophobicContact CE2-CG2 4.15Å; F53-I124 HydrophobicContact CG-CG2 4.07Å; F53-I124 HydrophobicContact CZ-CG2 4.41Å; F53-I125 HydrophobicContact CB-CD1 4.18Å; F53-I125 HydrophobicContact CB-CG1 3.75Å; F53-F128 HydrophobicContact CD2-CD2 4.31Å; F53-F128 AromaticContact CD2-CE2 3.63Å; F53-F128 HydrophobicContact CD2-CE2 3.63Å; F53-F128 AromaticContact CE2-CE2 3.77Å; F53-F128 HydrophobicContact CE2-CE2 3.77Å; F53-F128 HydrophobicContact CE2-CZ 4.34Å; F53-F295 HydrophobicContact CE1-CB 4.22Å; F53-F295 AromaticContact CE1-CD2 3.5Å; F53-F295 HydrophobicContact CE1-CD2 3.5Å; F53-F295 VanDerWaalsContact CE1-CD2 3.5Å; F53-F295 HydrophobicContact CE1-CE2 4.05Å; F53-F295 HydrophobicContact CE1-CG 4.02Å; F53-F295 HydrophobicContact CZ-CB 3.98Å; F53-F295 AromaticContact CZ-CD2 3.77Å; F53-F295 HydrophobicContact CZ-CD2 3.77Å; F53-F295 HydrophobicContact CZ-CE2 4.35Å; F53-F295 AromaticContact CZ-CG 3.84Å; F53-F295 HydrophobicContact CZ-CG 3.84Å |
| 54 | R | 98.6 | Very high | 98.2 | Very high | 113 Ų | 113 | 59.2 Ų | 59.2 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 172.5 | -156.9 | -178.9 | -50.8 | 111.3 | 15.4 | 111.6 | Q50 D51 F52 E58 I125 | Q50-R54 WeakPolarHBondContact O-CB 3.47Å; Q50-R54 PolarHBondContact O-N 2.76Å; D51-R54 PolarHBondContact O-N 3.02Å; D51-R54 IonicContact OD1-CZ 3.8Å; D51-R54 IonicContact OD1-NH1 2.69Å; D51-R54 PolarHBondContact OD1-NH1 2.98Å; D51-R54 IonicContact OD1-NH2 3.84Å; D51-R54 PolarHBondContact OD1-NH2 2.93Å; F52-R54 VanDerWaalsContact C-N 3.28Å; F52-R54 PolarHBondContact O-N 2.68Å; R54-E58 PolarHBondContact O-N 3.03Å; R54-I125 HydrophobicContact CB-CD1 3.85Å; R54-I125 HydrophobicContact CG-CD1 4.25Å |
| 55 | K | 98.7 | Very high | 98.3 | Very high | 96 Ų | 96 | 59.1 Ų | 59.1 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.9 | -39.1 | 176.2 | -170 | 69.8 | -141.5 | 176.7 | 0 | 112.5 | D51 F52 E58 I59 | D51-K55 PolarHBondContact O-N 3.35Å; F52-K55 PolarHBondContact O-N 2.92Å; F52-K55 VanDerWaalsContact O-N 3.12Å; K55-E58 WeakPolarHBondContact CE-OE2 3.41Å; K55-E58 IonicContact NZ-OE1 3.93Å; K55-E58 PolarHBondContact NZ-OE1 2.87Å; K55-E58 IonicContact NZ-OE2 2.69Å; K55-E58 PolarHBondContact NZ-OE2 2.88Å; K55-E58 WeakPolarHBondContact O-CB 3.34Å; K55-E58 PolarHBondContact O-N 3.37Å; K55-I59 HydrophobicContact CG-CD1 4.21Å; K55-I59 WeakPolarHBondContact O-CG1 3.15Å; K55-I59 PolarHBondContact O-N 3.26Å; K55-I59 VanDerWaalsContact O-N 3.17Å |
| 56 | K | 98.4 | Very high | 98.4 | Very high | 45 Ų | 45 | 59.4 Ų | 59.4 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 173.7 | -158.8 | 179.4 | -172 | -77.1 | 0 | 110.2 | F52 F53 E58 I59 E60 Y120 E299 | F52-K56 HydrophobicContact CE1-CD 4.47Å; F52-K56 HydrophobicContact CZ-CD 4.41Å; F52-K56 PolarHBondContact O-N 2.78Å; F53-K56 PolarHBondContact O-N 2.85Å; K56-E58 VanDerWaalsContact C-N 3.31Å; K56-E58 PolarHBondContact O-N 2.87Å; K56-I59 WeakPolarHBondContact O-CA 3.42Å; K56-I59 WeakPolarHBondContact O-CB 3.48Å; K56-I59 PolarHBondContact O-N 3.47Å; K56-E60 WeakPolarHBondContact CE-OE1 3.5Å; K56-E60 HydrophobicContact CG-CG 4.49Å; K56-E60 WeakPolarHBondContact CG-OE1 3.5Å; K56-E60 IonicContact NZ-OE1 3.04Å; K56-E60 PolarHBondContact NZ-OE1 3.27Å; K56-E60 WeakPolarHBondContact O-CG 3.27Å; K56-E60 PolarHBondContact O-N 2.97Å; K56-Y120 HydrophobicContact CB-CD2 4.23Å; K56-Y120 HydrophobicContact CB-CE2 3.95Å; K56-Y120 HydrophobicContact CD-CE2 3.63Å; K56-Y120 HydrophobicContact CG-CD2 4.46Å; K56-Y120 HydrophobicContact CG-CE2 3.7Å; K56-Y120 PolarHBondContact NZ-OH 3.38Å; K56-E299 IonicContact NZ-OE1 2.75Å; K56-E299 PolarHBondContact NZ-OE1 2.93Å |
| 57 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F53 M61 S117 Y120 L121 | F53-A57 VanDerWaalsContact O-CB 3.32Å; F53-A57 WeakPolarHBondContact O-CB 3.26Å; F53-A57 PolarHBondContact O-N 3.05Å; A57-M61 VanDerWaalsContact O-CB 3.23Å; A57-M61 WeakPolarHBondContact O-CB 3.34Å; A57-M61 PolarHBondContact O-N 2.9Å; A57-M61 VanDerWaalsContact O-N 3.08Å; A57-S117 PolarHBondContact O-OG 3.38Å; A57-Y120 HydrophobicContact CB-CD2 4.02Å; A57-L121 HydrophobicContact CB-CD1 4.38Å; A57-L121 HydrophobicContact CB-CD2 3.94Å; A57-L121 HydrophobicContact CB-CG 3.83Å |
| 58 | E | 98.6 | Very high | 98.5 | Very high | 94 Ų | 94 | 59.1 Ų | 59.1 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 174.2 | -166.9 | -166.4 | 139.9 | 0 | 0 | 111.5 | R54 K55 K56 M61 D62 | R54-E58 PolarHBondContact O-N 3.03Å; K55-E58 WeakPolarHBondContact CE-OE2 3.41Å; K55-E58 IonicContact NZ-OE1 3.93Å; K55-E58 PolarHBondContact NZ-OE1 2.87Å; K55-E58 IonicContact NZ-OE2 2.69Å; K55-E58 PolarHBondContact NZ-OE2 2.88Å; K55-E58 WeakPolarHBondContact O-CB 3.34Å; K55-E58 PolarHBondContact O-N 3.37Å; K56-E58 VanDerWaalsContact C-N 3.31Å; K56-E58 PolarHBondContact O-N 2.87Å; E58-M61 PolarHBondContact O-N 2.92Å; E58-D62 PolarHBondContact O-N 3.09Å |
| 59 | I | 98.8 | Very high | 98.4 | Very high | 93 Ų | 93 | 60.5 Ų | 60.5 | 48% | 0.477 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 178.9 | -65.9 | 164.1 | 0 | 0 | 0 | 111.3 | K55 K56 M61 D62 Y63 | K55-I59 HydrophobicContact CG-CD1 4.21Å; K55-I59 WeakPolarHBondContact O-CG1 3.15Å; K55-I59 PolarHBondContact O-N 3.26Å; K55-I59 VanDerWaalsContact O-N 3.17Å; K56-I59 WeakPolarHBondContact O-CA 3.42Å; K56-I59 WeakPolarHBondContact O-CB 3.48Å; K56-I59 PolarHBondContact O-N 3.47Å; I59-M61 PolarHBondContact O-N 2.88Å; I59-D62 PolarHBondContact O-N 2.82Å; I59-Y63 WeakPolarHBondContact O-CB 3.26Å; I59-Y63 PolarHBondContact O-N 2.94Å |
| 60 | E | 98.4 | Very high | 98.4 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -41.5 | 175.4 | -58 | -46.9 | 151 | 0 | 0 | 111.2 | K56 Y63 S64 H113 L116 Y120 | K56-E60 WeakPolarHBondContact CE-OE1 3.5Å; K56-E60 HydrophobicContact CG-CG 4.49Å; K56-E60 WeakPolarHBondContact CG-OE1 3.5Å; K56-E60 IonicContact NZ-OE1 3.04Å; K56-E60 PolarHBondContact NZ-OE1 3.27Å; K56-E60 WeakPolarHBondContact O-CG 3.27Å; K56-E60 PolarHBondContact O-N 2.97Å; E60-Y63 PolarHBondContact O-N 3.02Å; E60-S64 WeakPolarHBondContact O-CB 3.47Å; E60-S64 PolarHBondContact O-N 3.36Å; E60-H113 IonicContact OE2-CE1 2.73Å; E60-H113 IonicContact OE2-CG 2.59Å; E60-H113 IonicContact OE2-ND1 3.7Å; E60-H113 PolarHBondContact OE2-ND1 2.92Å; E60-L116 HydrophobicContact CG-CD2 4.07Å; E60-L116 HydrophobicContact CG-CG 4.28Å; E60-Y120 HydrophobicContact CG-CD2 4.45Å; E60-Y120 HydrophobicContact CG-CE2 3.89Å |
| 61 | M | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 62 Ų | 62 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.6 | -32.5 | -179.7 | -176.3 | 51.3 | 61 | 0 | 0 | 112.6 | A57 E58 I59 R65 T114 | A57-M61 VanDerWaalsContact O-CB 3.23Å; A57-M61 WeakPolarHBondContact O-CB 3.34Å; A57-M61 PolarHBondContact O-N 2.9Å; A57-M61 VanDerWaalsContact O-N 3.08Å; E58-M61 PolarHBondContact O-N 2.92Å; I59-M61 PolarHBondContact O-N 2.88Å; M61-R65 VanDerWaalsContact O-CB 3.3Å; M61-R65 WeakPolarHBondContact O-CB 3.13Å; M61-R65 VanDerWaalsContact O-CG 3.28Å; M61-R65 WeakPolarHBondContact O-CG 3.37Å; M61-R65 VanDerWaalsContact O-CZ 3.29Å; M61-R65 PolarHBondContact O-N 3.32Å; M61-R65 VanDerWaalsContact O-N 3.14Å; M61-R65 PolarHBondContact O-NE 3.27Å; M61-R65 PolarHBondContact O-NH2 3.29Å; M61-R65 HydrophobicContact SD-CG 4.31Å; M61-T114 HydrophobicContact CE-CG2 4.23Å |
| 62 | D | 98.5 | Very high | 98 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 35% | 0.353 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.2 | -42.2 | 169.9 | -92.9 | -32 | 0 | 0 | 0 | 112.1 | E58 I59 R65 N66 | E58-D62 PolarHBondContact O-N 3.09Å; I59-D62 PolarHBondContact O-N 2.82Å; D62-R65 VanDerWaalsContact CG-NH2 3.35Å; D62-R65 PolarHBondContact O-N 3.02Å; D62-R65 IonicContact OD1-CZ 2.55Å; D62-R65 IonicContact OD1-NH1 2.7Å; D62-R65 PolarHBondContact OD1-NH1 3.48Å; D62-R65 IonicContact OD1-NH2 2.72Å; D62-R65 PolarHBondContact OD1-NH2 3.25Å; D62-N66 PolarHBondContact O-N 2.79Å; D62-N66 VanDerWaalsContact O-N 3.13Å; D62-N66 PolarHBondContact O-ND2 3.19Å; D62-N66 VanDerWaalsContact O-ND2 3.08Å |
| 63 | Y | 98.7 | Very high | 97.8 | Very high | 107 Ų | 107 | 66.9 Ų | 66.9 | 42% | 0.42 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63 | -52.5 | 177.6 | -176.8 | -118.2 | 0 | 0 | 0 | 111.3 | I59 E60 R65 N66 L67 H113 | I59-Y63 WeakPolarHBondContact O-CB 3.26Å; I59-Y63 PolarHBondContact O-N 2.94Å; E60-Y63 PolarHBondContact O-N 3.02Å; Y63-R65 PolarHBondContact O-N 3.48Å; Y63-N66 WeakPolarHBondContact O-CA 3.36Å; Y63-N66 WeakPolarHBondContact O-CB 3.23Å; Y63-N66 PolarHBondContact O-N 2.94Å; Y63-L67 HydrophobicContact CD1-CD1 4.05Å; Y63-L67 HydrophobicContact CD1-CG 4.49Å; Y63-L67 HydrophobicContact CE1-CD1 3.57Å; Y63-L67 HydrophobicContact CE1-CG 4.17Å; Y63-L67 HydrophobicContact CE2-CD2 4.15Å; Y63-L67 HydrophobicContact CE2-CG 4.3Å; Y63-L67 PolarHBondContact O-N 3.32Å; Y63-H113 HydrophobicContact CD1-CB 4.39Å; Y63-H113 AromaticContact CD1-CD2 3.72Å; Y63-H113 AromaticContact CD1-CE1 3.88Å; Y63-H113 AromaticContact CD1-CG 3.74Å; Y63-H113 AromaticContact CD1-ND1 3.82Å; Y63-H113 AromaticContact CD1-NE2 3.82Å; Y63-H113 AromaticContact CE1-CD2 3.66Å; Y63-H113 AromaticContact CE1-CE1 3.9Å; Y63-H113 AromaticContact CE1-NE2 3.49Å; Y63-H113 WeakPolarHBondContact CE1-NE2 3.22Å |
| 64 | S | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -48.5 | -52.6 | 171.3 | 169.4 | 0 | 0 | 0 | 0 | 112.3 | E60 N66 L67 E68 S110 T114 | E60-S64 WeakPolarHBondContact O-CB 3.47Å; E60-S64 PolarHBondContact O-N 3.36Å; S64-N66 PolarHBondContact O-N 3.05Å; S64-N66 VanDerWaalsContact O-N 3.1Å; S64-L67 PolarHBondContact O-N 3.18Å; S64-E68 PolarHBondContact O-N 3.05Å; S64-S110 VanDerWaalsContact CB-O 3.3Å; S64-S110 WeakPolarHBondContact CB-O 3.33Å; S64-S110 PolarHBondContact OG-O 2.98Å; S64-T114 PolarHBondContact OG-OG1 3.01Å |
| 65 | R | 98.5 | Very high | 96.8 | Very high | 102 Ų | 102 | 65.8 Ų | 65.8 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.7 | -14.1 | 178.1 | -78.5 | -177.1 | -77 | 102.5 | -2 | 114.1 | M61 D62 Y63 K69 | M61-R65 VanDerWaalsContact O-CB 3.3Å; M61-R65 WeakPolarHBondContact O-CB 3.13Å; M61-R65 VanDerWaalsContact O-CG 3.28Å; M61-R65 WeakPolarHBondContact O-CG 3.37Å; M61-R65 VanDerWaalsContact O-CZ 3.29Å; M61-R65 PolarHBondContact O-N 3.32Å; M61-R65 VanDerWaalsContact O-N 3.14Å; M61-R65 PolarHBondContact O-NE 3.27Å; M61-R65 PolarHBondContact O-NH2 3.29Å; M61-R65 HydrophobicContact SD-CG 4.31Å; D62-R65 VanDerWaalsContact CG-NH2 3.35Å; D62-R65 PolarHBondContact O-N 3.02Å; D62-R65 IonicContact OD1-CZ 2.55Å; D62-R65 IonicContact OD1-NH1 2.7Å; D62-R65 PolarHBondContact OD1-NH1 3.48Å; D62-R65 IonicContact OD1-NH2 2.72Å; D62-R65 PolarHBondContact OD1-NH2 3.25Å; Y63-R65 PolarHBondContact O-N 3.48Å; R65-K69 WeakPolarHBondContact O-CD 3.45Å; R65-K69 WeakPolarHBondContact O-CE 3.4Å; R65-K69 WeakPolarHBondContact O-CG 3.4Å; R65-K69 PolarHBondContact O-NZ 2.98Å |
| 66 | N | 98.6 | Very high | 96 | Very high | 86 Ų | 86 | 64.2 Ų | 64.2 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -94.3 | -35.3 | 174.3 | -68.1 | -27.3 | 0 | 0 | 0 | 111.9 | D62 Y63 S64 K69 L70 | D62-N66 PolarHBondContact O-N 2.79Å; D62-N66 VanDerWaalsContact O-N 3.13Å; D62-N66 PolarHBondContact O-ND2 3.19Å; D62-N66 VanDerWaalsContact O-ND2 3.08Å; Y63-N66 WeakPolarHBondContact O-CA 3.36Å; Y63-N66 WeakPolarHBondContact O-CB 3.23Å; Y63-N66 PolarHBondContact O-N 2.94Å; S64-N66 PolarHBondContact O-N 3.05Å; S64-N66 VanDerWaalsContact O-N 3.1Å; N66-K69 PolarHBondContact OD1-NZ 3.04Å; N66-L70 WeakPolarHBondContact O-CB 3.27Å; N66-L70 PolarHBondContact O-N 3.24Å |
| 67 | L | 98.4 | Very high | 95 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 169.9 | -65.6 | -176.5 | 0 | 0 | 0 | 112 | Y63 S64 K69 L70 A71 V106 E109 | Y63-L67 HydrophobicContact CD1-CD1 4.05Å; Y63-L67 HydrophobicContact CD1-CG 4.49Å; Y63-L67 HydrophobicContact CE1-CD1 3.57Å; Y63-L67 HydrophobicContact CE1-CG 4.17Å; Y63-L67 HydrophobicContact CE2-CD2 4.15Å; Y63-L67 HydrophobicContact CE2-CG 4.3Å; Y63-L67 PolarHBondContact O-N 3.32Å; S64-L67 PolarHBondContact O-N 3.18Å; L67-K69 PolarHBondContact O-N 3.45Å; L67-L70 WeakPolarHBondContact O-CB 3.35Å; L67-L70 PolarHBondContact O-N 3.34Å; L67-L70 VanDerWaalsContact O-N 3.08Å; L67-A71 PolarHBondContact O-N 3.12Å; L67-V106 HydrophobicContact CB-CG1 4.05Å; L67-V106 HydrophobicContact CD2-CG1 4.25Å; L67-V106 WeakPolarHBondContact O-CG1 3.48Å; L67-E109 HydrophobicContact CD1-CB 3.66Å |
| 68 | E | 97.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60 | -46 | 179.5 | -166.4 | 63.6 | -169.2 | 0 | 0 | 111.7 | S64 L70 A71 E72 K107 S110 | S64-E68 PolarHBondContact O-N 3.05Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.14Å; E68-A71 PolarHBondContact O-N 3.43Å; E68-E72 HydrophobicContact CG-CG 4.47Å; E68-E72 WeakPolarHBondContact O-CB 3.5Å; E68-E72 WeakPolarHBondContact O-CG 3.4Å; E68-E72 PolarHBondContact O-N 2.99Å; E68-K107 VanDerWaalsContact CD-NZ 3.35Å; E68-K107 IonicContact OE1-NZ 3.96Å; E68-K107 PolarHBondContact OE1-NZ 3Å; E68-K107 IonicContact OE2-NZ 2.71Å; E68-S110 WeakPolarHBondContact CB-OG 3.22Å; E68-S110 WeakPolarHBondContact OE2-CB 3.34Å; E68-S110 PolarHBondContact OE2-OG 3.32Å |
| 69 | K | 97.6 | Very high | 91.5 | Very high | 111 Ų | 111 | 76.3 Ų | 76.3 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 175.3 | -67.2 | 168.2 | -160 | 147.7 | 0 | 112.1 | R65 N66 L67 R73 | R65-K69 WeakPolarHBondContact O-CD 3.45Å; R65-K69 WeakPolarHBondContact O-CE 3.4Å; R65-K69 WeakPolarHBondContact O-CG 3.4Å; R65-K69 PolarHBondContact O-NZ 2.98Å; N66-K69 PolarHBondContact OD1-NZ 3.04Å; L67-K69 PolarHBondContact O-N 3.45Å; K69-R73 WeakPolarHBondContact O-CB 3.19Å; K69-R73 PolarHBondContact O-N 3.39Å |
| 70 | L | 97.5 | Very high | 89.1 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 40% | 0.403 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -51.7 | 177.4 | 178.1 | 62.3 | 0 | 0 | 0 | 110.1 | N66 L67 E68 R73 F74 V106 | N66-L70 WeakPolarHBondContact O-CB 3.27Å; N66-L70 PolarHBondContact O-N 3.24Å; L67-L70 WeakPolarHBondContact O-CB 3.35Å; L67-L70 PolarHBondContact O-N 3.34Å; L67-L70 VanDerWaalsContact O-N 3.08Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.14Å; L70-R73 PolarHBondContact O-N 2.87Å; L70-F74 HydrophobicContact CD1-CD2 4.27Å; L70-F74 HydrophobicContact CD1-CE2 3.86Å; L70-F74 WeakPolarHBondContact O-CD2 3.31Å; L70-V106 HydrophobicContact CB-CG1 4.35Å; L70-V106 HydrophobicContact CD2-CG1 4.17Å; L70-V106 HydrophobicContact CG-CG1 4.39Å |
| 71 | A | 95 | Very high | 86.7 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L67 E68 R73 F74 L75 V106 K107 | L67-A71 PolarHBondContact O-N 3.12Å; E68-A71 PolarHBondContact O-N 3.43Å; A71-R73 VanDerWaalsContact C-N 3.31Å; A71-R73 PolarHBondContact O-N 3.49Å; A71-F74 PolarHBondContact O-N 2.96Å; A71-F74 VanDerWaalsContact O-N 3.16Å; A71-L75 HydrophobicContact CB-CD1 4.48Å; A71-L75 WeakPolarHBondContact O-CB 3.33Å; A71-L75 WeakPolarHBondContact O-CG 3.39Å; A71-L75 PolarHBondContact O-N 3.33Å; A71-V106 HydrophobicContact CB-CB 4.39Å; A71-V106 HydrophobicContact CB-CG1 3.96Å; A71-K107 HydrophobicContact CB-CD 4.19Å; A71-K107 HydrophobicContact CB-CG 3.43Å; A71-K107 VanDerWaalsContact CB-CG 3.43Å |
| 72 | E | 93.3 | Very high | 84 | Confident | 112 Ų | 112 | 87.4 Ų | 87.4 | 52% | 0.523 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.9 | -42.9 | 177.1 | -75.9 | -166.1 | 140 | 0 | 0 | 112.2 | E68 F74 L75 A76 | E68-E72 HydrophobicContact CG-CG 4.47Å; E68-E72 WeakPolarHBondContact O-CB 3.5Å; E68-E72 WeakPolarHBondContact O-CG 3.4Å; E68-E72 PolarHBondContact O-N 2.99Å; E72-F74 PolarHBondContact O-N 2.96Å; E72-F74 VanDerWaalsContact O-N 3.16Å; E72-L75 PolarHBondContact O-N 2.89Å; E72-A76 WeakPolarHBondContact O-CB 3.49Å; E72-A76 PolarHBondContact O-N 3.35Å |
| 73 | R | 94.1 | Very high | 81.4 | Confident | 169 Ų | 169 | 88.4 Ų | 88.4 | 64% | 0.638 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.4 | -25.4 | -180 | -175.1 | -179.7 | -171.5 | -155.1 | 4.5 | 113.4 | K69 L70 A71 K77 | K69-R73 WeakPolarHBondContact O-CB 3.19Å; K69-R73 PolarHBondContact O-N 3.39Å; L70-R73 PolarHBondContact O-N 2.87Å; A71-R73 VanDerWaalsContact C-N 3.31Å; A71-R73 PolarHBondContact O-N 3.49Å; R73-K77 WeakPolarHBondContact O-CD 3.31Å; R73-K77 VanDerWaalsContact O-CE 3.23Å; R73-K77 WeakPolarHBondContact O-CE 3.17Å; R73-K77 WeakPolarHBondContact O-CG 3.19Å |
| 74 | F | 90.7 | Very high | 78.7 | Confident | 60 Ų | 60 | 90.9 Ų | 90.9 | 26% | 0.263 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -96.4 | -44.8 | 175.9 | -74 | -72.9 | 0 | 0 | 0 | 112.5 | L70 A71 E72 A76 K77 T78 W99 L103 | L70-F74 HydrophobicContact CD1-CD2 4.27Å; L70-F74 HydrophobicContact CD1-CE2 3.86Å; L70-F74 WeakPolarHBondContact O-CD2 3.31Å; A71-F74 PolarHBondContact O-N 2.96Å; A71-F74 VanDerWaalsContact O-N 3.16Å; E72-F74 PolarHBondContact O-N 2.96Å; E72-F74 VanDerWaalsContact O-N 3.16Å; F74-A76 VanDerWaalsContact C-N 3.25Å; F74-A76 PolarHBondContact O-N 2.75Å; F74-K77 HydrophobicContact CD1-CD 4.24Å; F74-K77 WeakPolarHBondContact O-CB 3.21Å; F74-K77 PolarHBondContact O-N 3.27Å; F74-T78 PolarHBondContact O-N 3.01Å; F74-T78 PolarHBondContact O-OG1 3.31Å; F74-W99 HydrophobicContact CB-CZ2 3.9Å; F74-W99 AromaticContact CD1-CH2 3.96Å; F74-W99 HydrophobicContact CD1-CH2 3.96Å; F74-W99 AromaticContact CD1-CZ2 3.65Å; F74-W99 HydrophobicContact CD1-CZ2 3.65Å; F74-W99 HydrophobicContact CD2-CH2 4.39Å; F74-W99 HydrophobicContact CE1-CH2 4.21Å; F74-W99 HydrophobicContact CE1-CZ2 4.29Å; F74-W99 HydrophobicContact CG-CH2 4.05Å; F74-W99 AromaticContact CG-CZ2 3.79Å; F74-W99 HydrophobicContact CG-CZ2 3.79Å; F74-L103 HydrophobicContact CB-CD1 3.85Å; F74-L103 HydrophobicContact CB-CD2 3.74Å; F74-L103 HydrophobicContact CB-CG 4.48Å; F74-L103 HydrophobicContact CD2-CD2 4.3Å; F74-L103 HydrophobicContact CG-CD2 4.31Å |
| 75 | L | 86.2 | Confident | 76.1 | Confident | 34 Ų | 34 | 99.3 Ų | 99.3 | 18% | 0.178 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -59.3 | -34 | 176.5 | -68.7 | 170.9 | 0 | 0 | 0 | 113 | A71 E72 R79 L103 K107 | A71-L75 HydrophobicContact CB-CD1 4.48Å; A71-L75 WeakPolarHBondContact O-CB 3.33Å; A71-L75 WeakPolarHBondContact O-CG 3.39Å; A71-L75 PolarHBondContact O-N 3.33Å; E72-L75 PolarHBondContact O-N 2.89Å; L75-R79 WeakPolarHBondContact O-CG 3.17Å; L75-R79 PolarHBondContact O-N 3.33Å; L75-L103 HydrophobicContact CD2-CB 4.34Å; L75-L103 HydrophobicContact CD2-CD1 3.93Å; L75-L103 HydrophobicContact CG-CD1 4.19Å; L75-K107 HydrophobicContact CD1-CD 3.7Å |
| 76 | A | 81.1 | Confident | 73.7 | Confident | 64 Ų | 64 | 99.4 Ų | 99.4 | 53% | 0.529 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.2 | -32.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | E72 F74 S80 | E72-A76 WeakPolarHBondContact O-CB 3.49Å; E72-A76 PolarHBondContact O-N 3.35Å; F74-A76 VanDerWaalsContact C-N 3.25Å; F74-A76 PolarHBondContact O-N 2.75Å; A76-S80 PolarHBondContact O-N 3.29Å |
| 77 | K | 77.5 | Confident | 70.9 | Confident | 110 Ų | 110 | 103.1 Ų | 103.1 | 48% | 0.478 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.9 | -50 | 177.6 | -66.6 | 169.9 | -174.9 | 170.4 | 0 | 110.8 | R73 F74 R79 S80 | R73-K77 WeakPolarHBondContact O-CD 3.31Å; R73-K77 VanDerWaalsContact O-CE 3.23Å; R73-K77 WeakPolarHBondContact O-CE 3.17Å; R73-K77 WeakPolarHBondContact O-CG 3.19Å; F74-K77 HydrophobicContact CD1-CD 4.24Å; F74-K77 WeakPolarHBondContact O-CB 3.21Å; F74-K77 PolarHBondContact O-N 3.27Å; K77-R79 PolarHBondContact O-N 3.22Å; K77-S80 WeakPolarHBondContact O-CB 3.18Å; K77-S80 PolarHBondContact O-N 3.16Å |
| 78 | T | 66.3 | Low | 68.3 | Low | 71 Ų | 71 | 109.5 Ų | 109.5 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.5 | -33.7 | 179.9 | -42.4 | 0 | 0 | 0 | 0 | 112.1 | F74 S80 T81 | F74-T78 PolarHBondContact O-N 3.01Å; F74-T78 PolarHBondContact O-OG1 3.31Å; T78-S80 VanDerWaalsContact C-N 3.35Å; T78-T81 PolarHBondContact O-OG1 2.95Å |
| 79 | R | 57.7 | Low | 66.1 | Low | 211 Ų | 211 | 114.6 Ų | 114.6 | 80% | 0.796 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -10.7 | 176 | -69.1 | 175.8 | 179.8 | -169.2 | 0.7 | 114.8 | L75 K77 | L75-R79 WeakPolarHBondContact O-CG 3.17Å; L75-R79 PolarHBondContact O-N 3.33Å; K77-R79 PolarHBondContact O-N 3.22Å |
| 80 | S | 48.7 | Very low | 64 | Low | 98 Ų | 98 | 117.1 Ų | 117.1 | 69% | 0.685 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -20.3 | -179.7 | -170.8 | 0 | 0 | 0 | 0 | 113.4 | A76 K77 T78 | A76-S80 PolarHBondContact O-N 3.29Å; K77-S80 WeakPolarHBondContact O-CB 3.18Å; K77-S80 PolarHBondContact O-N 3.16Å; T78-S80 VanDerWaalsContact C-N 3.35Å |
| 81 | T | 47.1 | Very low | 62.3 | Low | 86 Ų | 86 | 116 Ų | 116 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -69 | 144.8 | 166.4 | 17.9 | 0 | 0 | 0 | 0 | 110.6 | T78 D83 | T78-T81 PolarHBondContact O-OG1 2.95Å; T81-D83 PolarHBondContact O-N 3.45Å |
| 82 | K | 42 | Very low | 61.4 | Low | 206 Ų | 206 | 118.4 Ų | 118.4 | 90% | 0.896 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -80.2 | 47.1 | -167.5 | -76.4 | -171.6 | 173.9 | -177.6 | 0 | 114 | ||
| 83 | D | 43.8 | Very low | 61.3 | Low | 87 Ų | 87 | 115.7 Ų | 115.7 | 47% | 0.465 | 56% | 0.56 | S | S | . | * | trans | -111 | 43 | -170.8 | -71.9 | -66.6 | 0 | 0 | 0 | 113.4 | T81 Q85 F86 | T81-D83 PolarHBondContact O-N 3.45Å; D83-Q85 PolarHBondContact O-N 2.89Å; D83-Q85 VanDerWaalsContact O-N 3.13Å; D83-F86 HydrophobicContact CB-CD2 3.89Å; D83-F86 PolarHBondContact O-N 3.42Å | ||
| 84 | Q | 42.7 | Very low | 61.3 | Low | 158 Ų | 158 | 108.2 Ų | 108.2 | 74% | 0.738 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -64.3 | -11.7 | 169.4 | -67.7 | -166.6 | 0.3 | 0 | 0 | 113.3 | F86 | Q84-F86 VanDerWaalsContact C-N 3.29Š|
| 85 | Q | 44.1 | Very low | 61.5 | Low | 181 Ų | 181 | 108.9 Ų | 108.9 | 85% | 0.846 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -69.5 | -25 | 174.3 | -148.5 | 70.3 | 13.6 | 0 | 0 | 112.9 | D83 K87 | D83-Q85 PolarHBondContact O-N 2.89Å; D83-Q85 VanDerWaalsContact O-N 3.13Å; Q85-K87 VanDerWaalsContact C-N 3.29Å; Q85-K87 PolarHBondContact O-N 3.48Å |
| 86 | F | 47 | Very low | 61.7 | Low | 103 Ų | 103 | 110.5 Ų | 110.5 | 45% | 0.452 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -87.2 | 17.3 | -175.6 | -77.9 | -87.2 | 0 | 0 | 0 | 114.4 | D83 Q84 K88 M332 | D83-F86 HydrophobicContact CB-CD2 3.89Å; D83-F86 PolarHBondContact O-N 3.42Å; Q84-F86 VanDerWaalsContact C-N 3.29Å; F86-K88 PolarHBondContact O-N 2.97Å; F86-M332 HydrophobicContact CE1-SD 3.48Å; F86-M332 WeakPolarHBondContact CE1-SD 3.33Å; F86-M332 HydrophobicContact CZ-SD 3.56Å; F86-M332 VanDerWaalsContact CZ-SD 3.56Å |
| 87 | K | 40.3 | Very low | 62.2 | Low | 164 Ų | 164 | 110.6 Ų | 110.6 | 71% | 0.713 | 55% | 0.547 | S | S | * | . | trans | -78.6 | 50.2 | 179.7 | -69.9 | -169.9 | 174.6 | -173 | 0 | 114.1 | Q85 | Q85-K87 VanDerWaalsContact C-N 3.29Å; Q85-K87 PolarHBondContact O-N 3.48Å | ||
| 88 | K | 44.4 | Very low | 63 | Low | 150 Ų | 150 | 106.2 Ų | 106.2 | 65% | 0.652 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -136.6 | 119.8 | 157.5 | -84.9 | -167.4 | 169.4 | -163.8 | 0 | 107.1 | F86 Q90 | F86-K88 PolarHBondContact O-N 2.97Å; K88-Q90 PolarHBondContact O-N 2.72Å |
| 89 | D | 51.1 | Low | 64.4 | Low | 154 Ų | 154 | 107.5 Ų | 107.5 | 82% | 0.824 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 12.1 | -173.1 | -46.8 | -85.9 | 0 | 0 | 0 | 114 | ||
| 90 | Q | 52.3 | Low | 66 | Low | 164 Ų | 164 | 99.7 Ų | 99.7 | 77% | 0.766 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4.3 | -177.3 | -67.4 | -175.9 | -66.8 | 0 | 0 | 114.8 | K88 | K88-Q90 PolarHBondContact O-N 2.72Š|
| 91 | N | 62 | Low | 68.2 | Low | 55 Ų | 55 | 97.3 Ų | 97.3 | 29% | 0.294 | 48% | 0.48 | S | S | . | . | trans | -141.2 | 50.8 | -175.8 | -148.9 | -37.3 | 0 | 0 | 0 | 112.2 | R328 | N91-R328 WeakPolarHBondContact OD1-CB 3.37Š| ||
| 92 | V | 77 | Confident | 70.6 | Confident | 50 Ų | 50 | 97 Ų | 97 | 30% | 0.303 | 48% | 0.475 | S | S | . | . | trans | -95.2 | 132.7 | 171.2 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | V96 N97 | V92-V96 HydrophobicContact CG1-CB 3.77Å; V92-V96 HydrophobicContact CG1-CG1 3.78Å; V92-N97 HydrophobicContact CG1-CB 4.34Å | ||
| 93 | L | 90.6 | Very high | 73.1 | Confident | 55 Ų | 55 | 87.6 Ų | 87.6 | 29% | 0.288 | 43% | 0.434 | S | S | . | . | trans | -71.2 | 146.6 | 175.8 | -57.4 | 178.3 | 0 | 0 | 0 | 110.7 | V96 N97 D325 R328 | L93-V96 HydrophobicContact CB-CG2 4.35Å; L93-V96 WeakPolarHBondContact O-CA 3.2Å; L93-V96 WeakPolarHBondContact O-CB 3.35Å; L93-V96 PolarHBondContact O-N 3.08Å; L93-N97 PolarHBondContact O-N 3.07Å; L93-D325 VanDerWaalsContact CA-OD1 3.29Å; L93-D325 WeakPolarHBondContact CA-OD1 3.28Å; L93-D325 HydrophobicContact CD2-CB 4.02Å; L93-R328 HydrophobicContact CD2-CB 4.1Å | ||
| 94 | S | 93.8 | Very high | 75.5 | Confident | 11 Ų | 11 | 87.6 Ų | 87.6 | 8% | 0.077 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -54.6 | -41 | -170.7 | 63.3 | 0 | 0 | 0 | 0 | 115 | V96 N97 C98 N319 D325 | S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 3.34Å; S94-N97 WeakPolarHBondContact O-CB 3.25Å; S94-N97 PolarHBondContact O-N 2.93Å; S94-N97 VanDerWaalsContact O-N 3.16Å; S94-C98 PolarHBondContact O-N 3.15Å; S94-C98 VanDerWaalsContact O-N 3.09Å; S94-C98 PolarHBondContact O-SG 3.04Å; S94-N319 VanDerWaalsContact CB-O 3.29Å; S94-N319 WeakPolarHBondContact CB-O 3.31Å; S94-D325 WeakPolarHBondContact CB-OD2 3.32Å; S94-D325 VanDerWaalsContact N-CG 3.33Å; S94-D325 PolarHBondContact N-OD1 3.1Å; S94-D325 PolarHBondContact N-OD2 2.94Å; S94-D325 PolarHBondContact OG-OD2 2.98Å |
| 95 | P | 95 | Very high | 78.1 | Confident | 74 Ų | 74 | 80.6 Ų | 80.6 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.5 | -25.5 | 176.9 | -15.9 | 32 | 0 | 0 | 0 | 112.8 | W99 L320 D325 | P95-W99 WeakPolarHBondContact O-CB 3.29Å; P95-W99 PolarHBondContact O-N 3.49Å; P95-L320 HydrophobicContact CB-CD2 4.28Å; P95-L320 HydrophobicContact CG-CD2 4.01Å; P95-D325 WeakPolarHBondContact CD-OD2 3.41Å |
| 96 | V | 91.6 | Very high | 80.7 | Confident | 68 Ų | 68 | 73 Ų | 73 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -76 | -31.6 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | V92 L93 S94 N100 | V92-V96 HydrophobicContact CG1-CB 3.77Å; V92-V96 HydrophobicContact CG1-CG1 3.78Å; L93-V96 HydrophobicContact CB-CG2 4.35Å; L93-V96 WeakPolarHBondContact O-CA 3.2Å; L93-V96 WeakPolarHBondContact O-CB 3.35Å; L93-V96 PolarHBondContact O-N 3.08Å; S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 3.34Å; V96-N100 WeakPolarHBondContact O-CB 3.42Å; V96-N100 PolarHBondContact O-N 3.4Å; V96-N100 PolarHBondContact O-ND2 3Å; V96-N100 VanDerWaalsContact O-ND2 3.16Å |
| 97 | N | 91.3 | Very high | 83.1 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -50.8 | 170.4 | -170 | 45.6 | 0 | 0 | 0 | 111.2 | V92 L93 S94 W99 N100 L101 | V92-N97 HydrophobicContact CG1-CB 4.34Å; L93-N97 PolarHBondContact O-N 3.07Å; S94-N97 WeakPolarHBondContact O-CB 3.25Å; S94-N97 PolarHBondContact O-N 2.93Å; S94-N97 VanDerWaalsContact O-N 3.16Å; N97-W99 VanDerWaalsContact C-N 3.29Å; N97-W99 PolarHBondContact O-N 3.29Å; N97-N100 PolarHBondContact O-N 3.3Å; N97-N100 VanDerWaalsContact O-N 3.08Å; N97-L101 PolarHBondContact O-N 3.32Å |
| 98 | C | 95 | Very high | 85.8 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 12% | 0.122 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53 | -46.8 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | S94 N100 L101 L102 A316 | S94-C98 PolarHBondContact O-N 3.15Å; S94-C98 VanDerWaalsContact O-N 3.09Å; S94-C98 PolarHBondContact O-SG 3.04Å; C98-N100 PolarHBondContact O-N 2.99Å; C98-L101 PolarHBondContact O-N 2.82Å; C98-L102 WeakPolarHBondContact O-CB 3.19Å; C98-L102 PolarHBondContact O-N 2.86Å; C98-A316 VanDerWaalsContact SG-C 3.55Å; C98-A316 PolarHBondContact SG-O 3.18Å |
| 99 | W | 94.6 | Very high | 88.4 | Confident | 97 Ų | 97 | 60 Ų | 60 | 37% | 0.367 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.1 | 176 | -109.7 | 0 | 0 | 0 | 113.4 | F74 P95 N97 L102 L103 | F74-W99 HydrophobicContact CB-CZ2 3.9Å; F74-W99 AromaticContact CD1-CH2 3.96Å; F74-W99 HydrophobicContact CD1-CH2 3.96Å; F74-W99 AromaticContact CD1-CZ2 3.65Å; F74-W99 HydrophobicContact CD1-CZ2 3.65Å; F74-W99 HydrophobicContact CD2-CH2 4.39Å; F74-W99 HydrophobicContact CE1-CH2 4.21Å; F74-W99 HydrophobicContact CE1-CZ2 4.29Å; F74-W99 HydrophobicContact CG-CH2 4.05Å; F74-W99 AromaticContact CG-CZ2 3.79Å; F74-W99 HydrophobicContact CG-CZ2 3.79Å; P95-W99 WeakPolarHBondContact O-CB 3.29Å; P95-W99 PolarHBondContact O-N 3.49Å; N97-W99 VanDerWaalsContact C-N 3.29Å; N97-W99 PolarHBondContact O-N 3.29Å; W99-L102 HydrophobicContact CE3-CD2 4.22Å; W99-L102 HydrophobicContact CZ3-CD2 4.28Å; W99-L103 HydrophobicContact CD2-CD1 4.38Å; W99-L103 HydrophobicContact CD2-CG 4.43Å; W99-L103 HydrophobicContact CH2-CD2 4.2Å; W99-L103 HydrophobicContact CZ2-CD1 3.86Å; W99-L103 HydrophobicContact CZ2-CD2 4.09Å; W99-L103 HydrophobicContact CZ2-CG 4.15Å; W99-L103 WeakPolarHBondContact O-CG 3.26Å; W99-L103 PolarHBondContact O-N 3.04Å; W99-L103 VanDerWaalsContact O-N 3.09Å |
| 100 | N | 91.5 | Very high | 90.6 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 176.7 | -72.4 | -28.2 | 0 | 0 | 0 | 111.8 | V96 N97 C98 L103 N104 | V96-N100 WeakPolarHBondContact O-CB 3.42Å; V96-N100 PolarHBondContact O-N 3.4Å; V96-N100 PolarHBondContact O-ND2 3Å; V96-N100 VanDerWaalsContact O-ND2 3.16Å; N97-N100 PolarHBondContact O-N 3.3Å; N97-N100 VanDerWaalsContact O-N 3.08Å; C98-N100 PolarHBondContact O-N 2.99Å; N100-L103 PolarHBondContact O-N 3.45Å; N100-N104 VanDerWaalsContact O-CG 3.25Å; N100-N104 PolarHBondContact O-N 3.12Å; N100-N104 PolarHBondContact O-ND2 3.22Å |
| 101 | L | 94.8 | Very high | 92.8 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.5 | -41.2 | 178.6 | -71.9 | 161.9 | 0 | 0 | 0 | 111.7 | N97 C98 L103 N104 Q105 I313 A316 | N97-L101 PolarHBondContact O-N 3.32Å; C98-L101 PolarHBondContact O-N 2.82Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.16Å; L101-N104 CarbonylContact O-C 3.59Å; L101-N104 WeakPolarHBondContact O-CA 3.28Å; L101-N104 WeakPolarHBondContact O-CB 3.13Å; L101-N104 PolarHBondContact O-N 3.5Å; L101-Q105 PolarHBondContact O-N 2.95Å; L101-I313 HydrophobicContact CB-CG1 4.2Å; L101-A316 HydrophobicContact CD1-CB 3.53Å |
| 102 | L | 97.1 | Very high | 94.6 | Very high | 81 Ų | 81 | 51.5 Ų | 51.5 | 42% | 0.424 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 171.2 | -176.6 | 65.5 | 0 | 0 | 0 | 112.3 | C98 W99 N104 Q105 V106 I313 | C98-L102 WeakPolarHBondContact O-CB 3.19Å; C98-L102 PolarHBondContact O-N 2.86Å; W99-L102 HydrophobicContact CE3-CD2 4.22Å; W99-L102 HydrophobicContact CZ3-CD2 4.28Å; L102-N104 VanDerWaalsContact C-N 3.35Å; L102-Q105 PolarHBondContact O-N 3.16Å; L102-V106 WeakPolarHBondContact O-CG2 3.47Å; L102-V106 PolarHBondContact O-N 3.3Å; L102-I313 HydrophobicContact CB-CD1 4.45Å; L102-I313 HydrophobicContact CD1-CD1 4.03Å |
| 103 | L | 95.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.8 | -31.8 | 174.8 | -70.2 | 179.7 | 0 | 0 | 0 | 113 | F74 L75 W99 N100 L101 K107 | F74-L103 HydrophobicContact CB-CD1 3.85Å; F74-L103 HydrophobicContact CB-CD2 3.74Å; F74-L103 HydrophobicContact CB-CG 4.48Å; F74-L103 HydrophobicContact CD2-CD2 4.3Å; F74-L103 HydrophobicContact CG-CD2 4.31Å; L75-L103 HydrophobicContact CD2-CB 4.34Å; L75-L103 HydrophobicContact CD2-CD1 3.93Å; L75-L103 HydrophobicContact CG-CD1 4.19Å; W99-L103 HydrophobicContact CD2-CD1 4.38Å; W99-L103 HydrophobicContact CD2-CG 4.43Å; W99-L103 HydrophobicContact CH2-CD2 4.2Å; W99-L103 HydrophobicContact CZ2-CD1 3.86Å; W99-L103 HydrophobicContact CZ2-CD2 4.09Å; W99-L103 HydrophobicContact CZ2-CG 4.15Å; W99-L103 WeakPolarHBondContact O-CG 3.26Å; W99-L103 PolarHBondContact O-N 3.04Å; W99-L103 VanDerWaalsContact O-N 3.09Å; N100-L103 PolarHBondContact O-N 3.45Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.16Å; L103-K107 WeakPolarHBondContact O-CG 3.34Å; L103-K107 PolarHBondContact O-N 3.02Å |
| 104 | N | 93.8 | Very high | 96 | Very high | 88 Ų | 88 | 49.7 Ų | 49.7 | 47% | 0.471 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.5 | -35.8 | 174.1 | -73.9 | -28.4 | 0 | 0 | 0 | 111.9 | N100 L101 L102 K107 R108 | N100-N104 VanDerWaalsContact O-CG 3.25Å; N100-N104 PolarHBondContact O-N 3.12Å; N100-N104 PolarHBondContact O-ND2 3.22Å; L101-N104 CarbonylContact O-C 3.59Å; L101-N104 WeakPolarHBondContact O-CA 3.28Å; L101-N104 WeakPolarHBondContact O-CB 3.13Å; L101-N104 PolarHBondContact O-N 3.5Å; L102-N104 VanDerWaalsContact C-N 3.35Å; N104-K107 CarbonylContact O-C 3.58Å; N104-K107 WeakPolarHBondContact O-CA 2.96Å; N104-K107 WeakPolarHBondContact O-CB 3.46Å; N104-K107 PolarHBondContact O-N 3.45Å; N104-K107 VanDerWaalsContact O-N 3.11Å; N104-R108 PolarHBondContact O-N 3.25Å |
| 105 | Q | 97.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 176.5 | 175.2 | 62.7 | -16.7 | 0 | 0 | 112.1 | L101 L102 K107 R108 E109 K306 G309 I313 | L101-Q105 PolarHBondContact O-N 2.95Å; L102-Q105 PolarHBondContact O-N 3.16Å; Q105-K107 PolarHBondContact O-N 3.01Å; Q105-K107 VanDerWaalsContact O-N 3.14Å; Q105-R108 WeakPolarHBondContact O-CA 3.34Å; Q105-R108 WeakPolarHBondContact O-CB 3.4Å; Q105-R108 PolarHBondContact O-N 3.18Å; Q105-E109 PolarHBondContact O-N 2.86Å; Q105-K306 PolarHBondContact NE2-O 3.31Å; Q105-G309 VanDerWaalsContact OE1-CA 3.29Å; Q105-I313 HydrophobicContact CB-CD1 3.72Å; Q105-I313 HydrophobicContact CG-CD1 4.02Å |
| 106 | V | 98.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.4 | -32.1 | 172.3 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | L67 L70 A71 L102 S110 | L67-V106 HydrophobicContact CB-CG1 4.05Å; L67-V106 HydrophobicContact CD2-CG1 4.25Å; L67-V106 WeakPolarHBondContact O-CG1 3.48Å; L70-V106 HydrophobicContact CB-CG1 4.35Å; L70-V106 HydrophobicContact CD2-CG1 4.17Å; L70-V106 HydrophobicContact CG-CG1 4.39Å; A71-V106 HydrophobicContact CB-CB 4.39Å; A71-V106 HydrophobicContact CB-CG1 3.96Å; L102-V106 WeakPolarHBondContact O-CG2 3.47Å; L102-V106 PolarHBondContact O-N 3.3Å; V106-S110 WeakPolarHBondContact O-CB 3.41Å; V106-S110 PolarHBondContact O-N 3.5Å; V106-S110 VanDerWaalsContact O-N 3.09Å |
| 107 | K | 97.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 46 Ų | 46 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -79.2 | -23.6 | 173.2 | -70.1 | -167 | 76 | 85.5 | 0 | 114.6 | E68 A71 L75 L103 N104 Q105 R111 | E68-K107 VanDerWaalsContact CD-NZ 3.35Å; E68-K107 IonicContact OE1-NZ 3.96Å; E68-K107 PolarHBondContact OE1-NZ 3Å; E68-K107 IonicContact OE2-NZ 2.71Å; A71-K107 HydrophobicContact CB-CD 4.19Å; A71-K107 HydrophobicContact CB-CG 3.43Å; A71-K107 VanDerWaalsContact CB-CG 3.43Å; L75-K107 HydrophobicContact CD1-CD 3.7Å; L103-K107 WeakPolarHBondContact O-CG 3.34Å; L103-K107 PolarHBondContact O-N 3.02Å; N104-K107 CarbonylContact O-C 3.58Å; N104-K107 WeakPolarHBondContact O-CA 2.96Å; N104-K107 WeakPolarHBondContact O-CB 3.46Å; N104-K107 PolarHBondContact O-N 3.45Å; N104-K107 VanDerWaalsContact O-N 3.11Å; Q105-K107 PolarHBondContact O-N 3.01Å; Q105-K107 VanDerWaalsContact O-N 3.14Å; K107-R111 WeakPolarHBondContact O-CD 3.42Å; K107-R111 WeakPolarHBondContact O-CG 3.35Å; K107-R111 PolarHBondContact O-N 3.26Å |
| 108 | R | 97.6 | Very high | 97 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.8 | -59 | 173.2 | -170.3 | -162.5 | -94.9 | -105.2 | 18.4 | 108.5 | N104 Q105 S110 R111 D112 S305 E308 | N104-R108 PolarHBondContact O-N 3.25Å; Q105-R108 WeakPolarHBondContact O-CA 3.34Å; Q105-R108 WeakPolarHBondContact O-CB 3.4Å; Q105-R108 PolarHBondContact O-N 3.18Å; R108-S110 VanDerWaalsContact C-N 3.28Å; R108-S110 PolarHBondContact O-N 3.1Å; R108-R111 WeakPolarHBondContact O-CB 3.32Å; R108-R111 PolarHBondContact O-N 2.82Å; R108-D112 VanDerWaalsContact O-CG 3.28Å; R108-D112 PolarHBondContact O-N 3.44Å; R108-S305 WeakPolarHBondContact CD-O 3.13Å; R108-S305 WeakPolarHBondContact CD-OG 3.37Å; R108-S305 PolarHBondContact NE-O 3.4Å; R108-S305 PolarHBondContact NH1-O 3.06Å; R108-S305 PolarHBondContact NH1-OG 3.09Å; R108-E308 IonicContact CZ-OE2 3.85Å; R108-E308 VanDerWaalsContact CZ-OE2 3.22Å; R108-E308 IonicContact NH1-OE2 3.55Å; R108-E308 PolarHBondContact NH1-OE2 2.88Å; R108-E308 IonicContact NH2-OE2 2.76Å; R108-E308 PolarHBondContact NH2-OE2 3.45Å |
| 109 | E | 98.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -51.7 | -45 | 174.4 | -68.1 | -176.1 | 159.9 | 0 | 0 | 112.2 | L67 Q105 R111 D112 H113 | L67-E109 HydrophobicContact CD1-CB 3.66Å; Q105-E109 PolarHBondContact O-N 2.86Å; E109-R111 VanDerWaalsContact C-N 3.28Å; E109-R111 PolarHBondContact O-N 3.16Å; E109-D112 PolarHBondContact O-N 3.31Å; E109-D112 VanDerWaalsContact O-N 3.13Å; E109-H113 PolarHBondContact O-CD2 2.9Å; E109-H113 VanDerWaalsContact O-CD2 3.23Å; E109-H113 PolarHBondContact O-N 3.48Å |
| 110 | S | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -46.9 | -47.4 | 172.3 | 167.7 | 0 | 0 | 0 | 0 | 113.1 | S64 E68 V106 R108 T114 | S64-S110 VanDerWaalsContact CB-O 3.3Å; S64-S110 WeakPolarHBondContact CB-O 3.33Å; S64-S110 PolarHBondContact OG-O 2.98Å; E68-S110 WeakPolarHBondContact CB-OG 3.22Å; E68-S110 WeakPolarHBondContact OE2-CB 3.34Å; E68-S110 PolarHBondContact OE2-OG 3.32Å; V106-S110 WeakPolarHBondContact O-CB 3.41Å; V106-S110 PolarHBondContact O-N 3.5Å; V106-S110 VanDerWaalsContact O-N 3.09Å; R108-S110 VanDerWaalsContact C-N 3.28Å; R108-S110 PolarHBondContact O-N 3.1Å; S110-T114 PolarHBondContact O-N 3.01Å |
| 111 | R | 98.4 | Very high | 97.7 | Very high | 157 Ų | 157 | 44.7 Ų | 44.7 | 59% | 0.592 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -76.6 | -36 | -179.5 | -68.1 | 166 | 176.5 | -174.9 | -2.8 | 112.2 | K107 R108 E109 T114 T115 | K107-R111 WeakPolarHBondContact O-CD 3.42Å; K107-R111 WeakPolarHBondContact O-CG 3.35Å; K107-R111 PolarHBondContact O-N 3.26Å; R108-R111 WeakPolarHBondContact O-CB 3.32Å; R108-R111 PolarHBondContact O-N 2.82Å; E109-R111 VanDerWaalsContact C-N 3.28Å; E109-R111 PolarHBondContact O-N 3.16Å; R111-T114 WeakPolarHBondContact O-CB 3.32Å; R111-T114 PolarHBondContact O-N 3.41Å; R111-T115 WeakPolarHBondContact O-CB 3.44Å; R111-T115 PolarHBondContact O-N 3.07Å; R111-T115 PolarHBondContact O-OG1 2.93Å |
| 112 | D | 98.4 | Very high | 97.9 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 18% | 0.176 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.1 | -39.8 | -176.3 | -60.9 | -15.1 | 0 | 0 | 0 | 110.5 | R108 E109 T115 L116 L302 S305 | R108-D112 VanDerWaalsContact O-CG 3.28Å; R108-D112 PolarHBondContact O-N 3.44Å; E109-D112 PolarHBondContact O-N 3.31Å; E109-D112 VanDerWaalsContact O-N 3.13Å; D112-T115 CarbonylContact O-C 3.59Å; D112-T115 WeakPolarHBondContact O-CB 3.48Å; D112-T115 PolarHBondContact O-N 3.24Å; D112-L116 WeakPolarHBondContact O-CB 3.5Å; D112-L116 PolarHBondContact O-N 2.9Å; D112-L302 HydrophobicContact CB-CD1 4.12Å; D112-L302 HydrophobicContact CB-CG 4.1Å; D112-S305 WeakPolarHBondContact OD2-CB 3.35Å; D112-S305 PolarHBondContact OD2-OG 2.9Å |
| 113 | H | 98.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 11% | 0.111 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.3 | -32.4 | 170.7 | -74.8 | -82.4 | 0 | 0 | 0 | 113.3 | E60 Y63 E109 S117 | E60-H113 IonicContact OE2-CE1 2.73Å; E60-H113 IonicContact OE2-CG 2.59Å; E60-H113 IonicContact OE2-ND1 3.7Å; E60-H113 PolarHBondContact OE2-ND1 2.92Å; Y63-H113 HydrophobicContact CD1-CB 4.39Å; Y63-H113 AromaticContact CD1-CD2 3.72Å; Y63-H113 AromaticContact CD1-CE1 3.88Å; Y63-H113 AromaticContact CD1-CG 3.74Å; Y63-H113 AromaticContact CD1-ND1 3.82Å; Y63-H113 AromaticContact CD1-NE2 3.82Å; Y63-H113 AromaticContact CE1-CD2 3.66Å; Y63-H113 AromaticContact CE1-CE1 3.9Å; Y63-H113 AromaticContact CE1-NE2 3.49Å; Y63-H113 WeakPolarHBondContact CE1-NE2 3.22Å; E109-H113 PolarHBondContact O-CD2 2.9Å; E109-H113 VanDerWaalsContact O-CD2 3.23Å; E109-H113 PolarHBondContact O-N 3.48Å; H113-S117 PolarHBondContact O-N 3.23Å |
| 114 | T | 98.8 | Very high | 98.1 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 26% | 0.258 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.3 | -47 | 166.9 | -88 | 0 | 0 | 0 | 0 | 110.5 | M61 S64 S110 R111 L116 S117 D118 | M61-T114 HydrophobicContact CE-CG2 4.23Å; S64-T114 PolarHBondContact OG-OG1 3.01Å; S110-T114 PolarHBondContact O-N 3.01Å; R111-T114 WeakPolarHBondContact O-CB 3.32Å; R111-T114 PolarHBondContact O-N 3.41Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-L116 PolarHBondContact O-N 3.24Å; T114-S117 WeakPolarHBondContact O-CB 3.04Å; T114-S117 PolarHBondContact O-N 3.36Å; T114-D118 PolarHBondContact O-N 2.87Å |
| 115 | T | 98.6 | Very high | 98.3 | Very high | 73 Ų | 73 | 42.8 Ų | 42.8 | 45% | 0.448 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.4 | -37.7 | -179.3 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | R111 D112 D118 I119 | R111-T115 WeakPolarHBondContact O-CB 3.44Å; R111-T115 PolarHBondContact O-N 3.07Å; R111-T115 PolarHBondContact O-OG1 2.93Å; D112-T115 CarbonylContact O-C 3.59Å; D112-T115 WeakPolarHBondContact O-CB 3.48Å; D112-T115 PolarHBondContact O-N 3.24Å; T115-D118 PolarHBondContact O-N 3.29Å; T115-I119 HydrophobicContact CG2-CD1 4.15Å; T115-I119 VanDerWaalsContact O-CG1 3.28Å; T115-I119 WeakPolarHBondContact O-CG1 3.48Å; T115-I119 PolarHBondContact O-N 2.95Å |
| 116 | L | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 174.7 | -172.9 | 61.7 | 0 | 0 | 0 | 111.7 | E60 D112 T114 D118 I119 Y120 A298 E299 L302 | E60-L116 HydrophobicContact CG-CD2 4.07Å; E60-L116 HydrophobicContact CG-CG 4.28Å; D112-L116 WeakPolarHBondContact O-CB 3.5Å; D112-L116 PolarHBondContact O-N 2.9Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-L116 PolarHBondContact O-N 3.24Å; L116-D118 PolarHBondContact O-N 3.08Å; L116-I119 PolarHBondContact O-N 3.37Å; L116-Y120 HydrophobicContact CD1-CD1 4.35Å; L116-Y120 HydrophobicContact CD1-CE1 3.48Å; L116-Y120 VanDerWaalsContact CD1-CE1 3.48Å; L116-Y120 HydrophobicContact CD1-CE2 4.42Å; L116-Y120 WeakPolarHBondContact CD1-OH 3.49Å; L116-Y120 HydrophobicContact CD2-CE2 4.44Å; L116-Y120 HydrophobicContact CG-CE1 3.91Å; L116-Y120 HydrophobicContact CG-CE2 3.94Å; L116-Y120 WeakPolarHBondContact CG-OH 3.34Å; L116-Y120 WeakPolarHBondContact O-CD1 3.44Å; L116-Y120 VanDerWaalsContact O-CG 3.28Å; L116-Y120 PolarHBondContact O-N 3.49Å; L116-A298 HydrophobicContact CD1-CB 3.53Å; L116-E299 WeakPolarHBondContact CD2-OE2 3.47Å; L116-L302 HydrophobicContact CB-CD1 4.32Å; L116-L302 HydrophobicContact CD2-CD1 3.83Å |
| 117 | S | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.9 | -46.4 | 171.9 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | A57 H113 T114 I119 Y120 L121 | A57-S117 PolarHBondContact O-OG 3.38Å; H113-S117 PolarHBondContact O-N 3.23Å; T114-S117 WeakPolarHBondContact O-CB 3.04Å; T114-S117 PolarHBondContact O-N 3.36Å; S117-I119 PolarHBondContact O-N 3.42Å; S117-Y120 PolarHBondContact O-N 2.85Å; S117-L121 WeakPolarHBondContact O-CG 3.38Å; S117-L121 PolarHBondContact O-N 2.58Å |
| 118 | D | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 46 Ų | 46 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65 | -35.8 | 177.4 | -84.3 | -34.8 | 0 | 0 | 0 | 112.7 | T114 T115 L116 N122 | T114-D118 PolarHBondContact O-N 2.87Å; T115-D118 PolarHBondContact O-N 3.29Å; L116-D118 PolarHBondContact O-N 3.08Å; D118-N122 WeakPolarHBondContact O-CB 3.41Å; D118-N122 PolarHBondContact O-N 2.89Å; D118-N122 PolarHBondContact O-ND2 2.83Å; D118-N122 PolarHBondContact OD1-ND2 2.93Å |
| 119 | I | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 172.7 | -71.7 | 163.7 | 0 | 0 | 0 | 110.4 | T115 L116 S117 N123 I124 T294 A298 | T115-I119 HydrophobicContact CG2-CD1 4.15Å; T115-I119 VanDerWaalsContact O-CG1 3.28Å; T115-I119 WeakPolarHBondContact O-CG1 3.48Å; T115-I119 PolarHBondContact O-N 2.95Å; L116-I119 PolarHBondContact O-N 3.37Å; S117-I119 PolarHBondContact O-N 3.42Å; I119-N123 HydrophobicContact CG2-CB 4.42Å; I119-N123 WeakPolarHBondContact O-CA 3.44Å; I119-N123 WeakPolarHBondContact O-CB 3.49Å; I119-N123 PolarHBondContact O-N 2.96Å; I119-I124 HydrophobicContact CG2-CD1 4.2Å; I119-I124 HydrophobicContact CG2-CG1 4.13Å; I119-I124 PolarHBondContact O-N 3.16Å; I119-T294 HydrophobicContact CG2-CG2 4.34Å; I119-A298 HydrophobicContact CD1-CB 3.95Å; I119-A298 HydrophobicContact CG2-CB 4.04Å |
| 120 | Y | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -64.2 | -48.9 | 177.9 | -62.6 | -12 | 0 | 0 | 0 | 111.8 | F53 K56 A57 E60 L116 S117 I124 I125 F295 E299 | F53-Y120 AromaticContact CD1-CD1 3.98Å; F53-Y120 HydrophobicContact CD1-CD1 3.98Å; F53-Y120 HydrophobicContact CD1-CD2 4.22Å; F53-Y120 HydrophobicContact CD1-CE1 4.19Å; F53-Y120 HydrophobicContact CD1-CE2 4.43Å; F53-Y120 AromaticContact CD1-CG 3.98Å; F53-Y120 HydrophobicContact CD1-CG 3.98Å; F53-Y120 HydrophobicContact CE1-CD1 4.26Å; F53-Y120 HydrophobicContact CE1-CE1 4.07Å; K56-Y120 HydrophobicContact CB-CD2 4.23Å; K56-Y120 HydrophobicContact CB-CE2 3.95Å; K56-Y120 HydrophobicContact CD-CE2 3.63Å; K56-Y120 HydrophobicContact CG-CD2 4.46Å; K56-Y120 HydrophobicContact CG-CE2 3.7Å; K56-Y120 PolarHBondContact NZ-OH 3.38Å; A57-Y120 HydrophobicContact CB-CD2 4.02Å; E60-Y120 HydrophobicContact CG-CD2 4.45Å; E60-Y120 HydrophobicContact CG-CE2 3.89Å; L116-Y120 HydrophobicContact CD1-CD1 4.35Å; L116-Y120 HydrophobicContact CD1-CE1 3.48Å; L116-Y120 VanDerWaalsContact CD1-CE1 3.48Å; L116-Y120 HydrophobicContact CD1-CE2 4.42Å; L116-Y120 WeakPolarHBondContact CD1-OH 3.49Å; L116-Y120 HydrophobicContact CD2-CE2 4.44Å; L116-Y120 HydrophobicContact CG-CE1 3.91Å; L116-Y120 HydrophobicContact CG-CE2 3.94Å; L116-Y120 WeakPolarHBondContact CG-OH 3.34Å; L116-Y120 WeakPolarHBondContact O-CD1 3.44Å; L116-Y120 VanDerWaalsContact O-CG 3.28Å; L116-Y120 PolarHBondContact O-N 3.49Å; S117-Y120 PolarHBondContact O-N 2.85Å; Y120-I124 HydrophobicContact CD1-CD1 3.75Å; Y120-I124 HydrophobicContact CD1-CG1 4.41Å; Y120-I124 HydrophobicContact CE1-CD1 4.13Å; Y120-I124 PolarHBondContact O-N 3.4Å; Y120-I125 VanDerWaalsContact O-CG1 3.32Å; Y120-I125 WeakPolarHBondContact O-CG1 3.4Å; Y120-I125 PolarHBondContact O-N 3.09Å; Y120-F295 HydrophobicContact CE1-CD2 4Å; Y120-E299 PolarHBondContact OH-OE1 3.43Å |
| 121 | L | 98.4 | Very high | 98 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -68.3 | -43.3 | -177.7 | -67.2 | 171.6 | 0 | 0 | 0 | 113.1 | A57 S117 I125 P126 | A57-L121 HydrophobicContact CB-CD1 4.38Å; A57-L121 HydrophobicContact CB-CD2 3.94Å; A57-L121 HydrophobicContact CB-CG 3.83Å; S117-L121 WeakPolarHBondContact O-CG 3.38Å; S117-L121 PolarHBondContact O-N 2.58Å; L121-I125 HydrophobicContact CD2-CD1 4.18Å; L121-P126 VanDerWaalsContact O-CD 3.3Å; L121-P126 WeakPolarHBondContact O-CD 3.35Å; L121-P126 WeakPolarHBondContact O-CG 3.38Å |
| 122 | N | 98.1 | Very high | 97.8 | Very high | 115 Ų | 115 | 42.2 Ų | 42.2 | 62% | 0.615 | 23% | 0.226 | S | C | * | . | I | π-helix | trans | -101.1 | -10.9 | -169.3 | -55.3 | -69.2 | 0 | 0 | 0 | 114.1 | D118 | D118-N122 WeakPolarHBondContact O-CB 3.41Å; D118-N122 PolarHBondContact O-N 2.89Å; D118-N122 PolarHBondContact O-ND2 2.83Å; D118-N122 PolarHBondContact OD1-ND2 2.93Å |
| 123 | N | 97.9 | Very high | 97.6 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -130.1 | -47.3 | -175.4 | -167.6 | -6 | 0 | 0 | 0 | 112.9 | I119 R127 | I119-N123 HydrophobicContact CG2-CB 4.42Å; I119-N123 WeakPolarHBondContact O-CA 3.44Å; I119-N123 WeakPolarHBondContact O-CB 3.49Å; I119-N123 PolarHBondContact O-N 2.96Å; N123-R127 WeakPolarHBondContact O-CD 3.39Å; N123-R127 VanDerWaalsContact O-CG 3.23Å; N123-R127 WeakPolarHBondContact O-CG 3.4Å; N123-R127 PolarHBondContact O-NE 3.29Å; N123-R127 PolarHBondContact OD1-NE 3.43Å; N123-R127 PolarHBondContact OD1-NH2 2.9Å |
| 124 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -81.7 | -52 | -174.6 | -55.2 | -166 | 0 | 0 | 0 | 112.5 | F53 I119 Y120 R127 F128 T294 F295 | F53-I124 HydrophobicContact CD1-CG2 4.32Å; F53-I124 HydrophobicContact CD2-CG2 3.97Å; F53-I124 HydrophobicContact CE1-CD1 4.47Å; F53-I124 HydrophobicContact CE1-CG2 4.49Å; F53-I124 HydrophobicContact CE2-CG2 4.15Å; F53-I124 HydrophobicContact CG-CG2 4.07Å; F53-I124 HydrophobicContact CZ-CG2 4.41Å; I119-I124 HydrophobicContact CG2-CD1 4.2Å; I119-I124 HydrophobicContact CG2-CG1 4.13Å; I119-I124 PolarHBondContact O-N 3.16Å; Y120-I124 HydrophobicContact CD1-CD1 3.75Å; Y120-I124 HydrophobicContact CD1-CG1 4.41Å; Y120-I124 HydrophobicContact CE1-CD1 4.13Å; Y120-I124 PolarHBondContact O-N 3.4Å; I124-R127 WeakPolarHBondContact O-CB 3.4Å; I124-R127 PolarHBondContact O-N 3.05Å; I124-R127 VanDerWaalsContact O-N 3.14Å; I124-F128 HydrophobicContact CG2-CD2 3.95Å; I124-F128 HydrophobicContact CG2-CE2 3.44Å; I124-F128 VanDerWaalsContact CG2-CE2 3.44Å; I124-F128 HydrophobicContact CG2-CZ 4.29Å; I124-F128 WeakPolarHBondContact O-CD2 3.5Å; I124-F128 PolarHBondContact O-N 3.25Å; I124-T294 HydrophobicContact CD1-CG2 4.21Å; I124-T294 HydrophobicContact CG1-CG2 3.93Å; I124-F295 VanDerWaalsContact CD1-CA 3.49Å; I124-F295 HydrophobicContact CD1-CB 3.67Å |
| 125 | I | 98.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 178.9 | -64.1 | 165.8 | 0 | 0 | 0 | 111.4 | Q50 F53 R54 Y120 L121 R127 F128 V129 | Q50-I125 HydrophobicContact CB-CG2 4.41Å; Q50-I125 HydrophobicContact CG-CG2 4.36Å; F53-I125 HydrophobicContact CB-CD1 4.18Å; F53-I125 HydrophobicContact CB-CG1 3.75Å; R54-I125 HydrophobicContact CB-CD1 3.85Å; R54-I125 HydrophobicContact CG-CD1 4.25Å; Y120-I125 VanDerWaalsContact O-CG1 3.32Å; Y120-I125 WeakPolarHBondContact O-CG1 3.4Å; Y120-I125 PolarHBondContact O-N 3.09Å; L121-I125 HydrophobicContact CD2-CD1 4.18Å; I125-R127 VanDerWaalsContact C-N 3.25Å; I125-R127 PolarHBondContact O-N 3.02Å; I125-F128 PolarHBondContact O-N 3.41Å; I125-V129 HydrophobicContact CG2-CG2 4.35Å; I125-V129 WeakPolarHBondContact O-CG2 3.23Å; I125-V129 PolarHBondContact O-N 3.16Å |
| 126 | P | 98.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 38% | 0.383 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.4 | -30.9 | 175.6 | -27.8 | 37.8 | 0 | 0 | 0 | 114.2 | L121 Q130 | L121-P126 VanDerWaalsContact O-CD 3.3Å; L121-P126 WeakPolarHBondContact O-CD 3.35Å; L121-P126 WeakPolarHBondContact O-CG 3.38Å; P126-Q130 WeakPolarHBondContact O-CB 3.39Å; P126-Q130 PolarHBondContact O-N 2.91Å |
| 127 | R | 97.5 | Very high | 96.1 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 172.7 | -73.7 | 171.4 | -163.8 | -65.8 | -7.2 | 111.7 | N123 I124 I125 Q130 V131 A291 | N123-R127 WeakPolarHBondContact O-CD 3.39Å; N123-R127 VanDerWaalsContact O-CG 3.23Å; N123-R127 WeakPolarHBondContact O-CG 3.4Å; N123-R127 PolarHBondContact O-NE 3.29Å; N123-R127 PolarHBondContact OD1-NE 3.43Å; N123-R127 PolarHBondContact OD1-NH2 2.9Å; I124-R127 WeakPolarHBondContact O-CB 3.4Å; I124-R127 PolarHBondContact O-N 3.05Å; I124-R127 VanDerWaalsContact O-N 3.14Å; I125-R127 VanDerWaalsContact C-N 3.25Å; I125-R127 PolarHBondContact O-N 3.02Å; R127-Q130 PolarHBondContact O-N 3.44Å; R127-V131 WeakPolarHBondContact O-CB 3.48Å; R127-V131 WeakPolarHBondContact O-CG2 3.33Å; R127-V131 PolarHBondContact O-N 3.35Å; R127-A291 HydrophobicContact CB-CB 4.19Å |
| 128 | F | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.3 | -36.5 | 177.8 | -66.4 | -52.1 | 0 | 0 | 0 | 112.6 | L46 L49 Q50 F53 I124 I125 V131 S132 L288 A291 L292 | L46-F128 HydrophobicContact CD2-CD1 3.88Å; L49-F128 HydrophobicContact CB-CD1 4.48Å; L49-F128 HydrophobicContact CB-CD2 4.12Å; L49-F128 HydrophobicContact CB-CE1 4.47Å; L49-F128 HydrophobicContact CB-CE2 4.1Å; L49-F128 HydrophobicContact CB-CG 4.32Å; L49-F128 HydrophobicContact CB-CZ 4.28Å; L49-F128 HydrophobicContact CD1-CD1 4.35Å; L49-F128 HydrophobicContact CD1-CE1 3.91Å; L49-F128 HydrophobicContact CD1-CZ 4.14Å; L49-F128 HydrophobicContact CD2-CZ 4.46Å; Q50-F128 HydrophobicContact CG-CB 3.51Å; F53-F128 HydrophobicContact CD2-CD2 4.31Å; F53-F128 AromaticContact CD2-CE2 3.63Å; F53-F128 HydrophobicContact CD2-CE2 3.63Å; F53-F128 AromaticContact CE2-CE2 3.77Å; F53-F128 HydrophobicContact CE2-CE2 3.77Å; F53-F128 HydrophobicContact CE2-CZ 4.34Å; I124-F128 HydrophobicContact CG2-CD2 3.95Å; I124-F128 HydrophobicContact CG2-CE2 3.44Å; I124-F128 VanDerWaalsContact CG2-CE2 3.44Å; I124-F128 HydrophobicContact CG2-CZ 4.29Å; I124-F128 WeakPolarHBondContact O-CD2 3.5Å; I124-F128 PolarHBondContact O-N 3.25Å; I125-F128 PolarHBondContact O-N 3.41Å; F128-V131 PolarHBondContact O-N 3.44Å; F128-S132 WeakPolarHBondContact O-CB 3.39Å; F128-S132 PolarHBondContact O-N 3Å; F128-L288 HydrophobicContact CE1-CD1 3.73Å; F128-L288 HydrophobicContact CZ-CD1 4.44Å; F128-A291 HydrophobicContact CD1-CB 4.18Å; F128-A291 HydrophobicContact CE1-CB 3.51Å; F128-A291 HydrophobicContact CE2-CB 4.3Å; F128-A291 HydrophobicContact CZ-CB 3.59Å; F128-L292 HydrophobicContact CZ-CD2 4.23Å |
| 129 | V | 96.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 30% | 0.303 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.8 | -55.6 | 168.7 | 175 | 0 | 0 | 0 | 0 | 110.1 | Q50 I125 V131 S132 E133 | Q50-V129 HydrophobicContact CG-CG2 4.45Å; I125-V129 HydrophobicContact CG2-CG2 4.35Å; I125-V129 WeakPolarHBondContact O-CG2 3.23Å; I125-V129 PolarHBondContact O-N 3.16Å; V129-V131 VanDerWaalsContact C-N 3.34Å; V129-V131 PolarHBondContact O-N 2.92Å; V129-S132 WeakPolarHBondContact O-CB 3.38Å; V129-S132 PolarHBondContact O-N 3.16Å; V129-S132 VanDerWaalsContact O-N 3.1Å; V129-E133 PolarHBondContact O-N 2.76Å |
| 130 | Q | 95.5 | Very high | 94.9 | Very high | 106 Ų | 106 | 54.8 Ų | 54.8 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | -179.1 | -165.8 | -153.7 | -44.5 | 0 | 0 | 112 | P126 R127 S132 E133 D134 | P126-Q130 WeakPolarHBondContact O-CB 3.39Å; P126-Q130 PolarHBondContact O-N 2.91Å; R127-Q130 PolarHBondContact O-N 3.44Å; Q130-S132 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 2.95Å; Q130-E133 PolarHBondContact O-N 2.55Å; Q130-D134 PolarHBondContact NE2-OD2 3.19Å; Q130-D134 VanDerWaalsContact O-CB 3.26Å; Q130-D134 WeakPolarHBondContact O-CB 3.19Å; Q130-D134 VanDerWaalsContact O-CG 3.24Å; Q130-D134 PolarHBondContact O-N 3.08Å |
| 131 | V | 95.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -29.6 | 179.1 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | L46 R127 F128 V129 S135 Y284 | L46-V131 HydrophobicContact CD1-CG1 3.91Å; L46-V131 HydrophobicContact CD2-CB 4.32Å; L46-V131 HydrophobicContact CD2-CG1 3.84Å; R127-V131 WeakPolarHBondContact O-CB 3.48Å; R127-V131 WeakPolarHBondContact O-CG2 3.33Å; R127-V131 PolarHBondContact O-N 3.35Å; F128-V131 PolarHBondContact O-N 3.44Å; V129-V131 VanDerWaalsContact C-N 3.34Å; V129-V131 PolarHBondContact O-N 2.92Å; V131-S135 WeakPolarHBondContact O-CB 3.23Å; V131-S135 PolarHBondContact O-N 3.22Å; V131-S135 PolarHBondContact O-OG 3.2Å; V131-Y284 HydrophobicContact CG1-CD2 4.11Å |
| 132 | S | 93.9 | Very high | 94.2 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.7 | -47.7 | 173.6 | -166.6 | 0 | 0 | 0 | 0 | 111.4 | F128 V129 Q130 D134 S135 G136 | F128-S132 WeakPolarHBondContact O-CB 3.39Å; F128-S132 PolarHBondContact O-N 3Å; V129-S132 WeakPolarHBondContact O-CB 3.38Å; V129-S132 PolarHBondContact O-N 3.16Å; V129-S132 VanDerWaalsContact O-N 3.1Å; Q130-S132 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 2.95Å; S132-D134 PolarHBondContact O-N 2.99Å; S132-S135 PolarHBondContact O-N 3.21Å; S132-G136 PolarHBondContact O-N 3.18Å |
| 133 | E | 94 | Very high | 93.9 | Very high | 130 Ų | 130 | 55.7 Ų | 55.7 | 61% | 0.607 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 174.2 | -67.1 | -178.4 | 176.9 | 0 | 0 | 112.6 | V129 Q130 R137 | V129-E133 PolarHBondContact O-N 2.76Å; Q130-E133 PolarHBondContact O-N 2.55Å; E133-R137 WeakPolarHBondContact O-CB 3.43Å; E133-R137 PolarHBondContact O-N 3.49Å; E133-R137 VanDerWaalsContact O-N 3.12Å |
| 134 | D | 91.3 | Very high | 93.8 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.2 | -76 | -26.2 | 0 | 0 | 0 | 110.7 | Q130 S132 R137 L138 | Q130-D134 PolarHBondContact NE2-OD2 3.19Å; Q130-D134 VanDerWaalsContact O-CB 3.26Å; Q130-D134 WeakPolarHBondContact O-CB 3.19Å; Q130-D134 VanDerWaalsContact O-CG 3.24Å; Q130-D134 PolarHBondContact O-N 3.08Å; S132-D134 PolarHBondContact O-N 2.99Å; D134-R137 PolarHBondContact O-N 2.81Å; D134-R137 IonicContact OD1-CZ 3.02Å; D134-R137 IonicContact OD1-NH1 3.92Å; D134-R137 PolarHBondContact OD1-NH1 3.27Å; D134-R137 IonicContact OD1-NH2 3.72Å; D134-R137 PolarHBondContact OD1-NH2 3.16Å; D134-L138 WeakPolarHBondContact O-CB 3.48Å; D134-L138 WeakPolarHBondContact O-CD1 3.42Å; D134-L138 PolarHBondContact O-N 3.09Å |
| 135 | S | 90.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 179.4 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | V131 S132 R137 L138 F139 | V131-S135 WeakPolarHBondContact O-CB 3.23Å; V131-S135 PolarHBondContact O-N 3.22Å; V131-S135 PolarHBondContact O-OG 3.2Å; S132-S135 PolarHBondContact O-N 3.21Å; S135-R137 VanDerWaalsContact C-N 3.32Å; S135-R137 PolarHBondContact O-N 2.72Å; S135-L138 PolarHBondContact O-N 3.32Å; S135-F139 VanDerWaalsContact O-CB 3.25Å; S135-F139 WeakPolarHBondContact O-CB 3.37Å; S135-F139 PolarHBondContact O-N 2.91Å |
| 136 | G | 89.1 | Confident | 93.4 | Very high | 36 Ų | 36 | 61 Ų | 61 | 37% | 0.371 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S132 K140 | S132-G136 PolarHBondContact O-N 3.18Å; G136-K140 PolarHBondContact O-N 3.07Å |
| 137 | R | 92.2 | Very high | 93.3 | Very high | 127 Ų | 127 | 61.9 Ų | 61.9 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 175.9 | -174.2 | -174.1 | 66.6 | -111.5 | -2.3 | 112.7 | E133 D134 S135 | E133-R137 WeakPolarHBondContact O-CB 3.43Å; E133-R137 PolarHBondContact O-N 3.49Å; E133-R137 VanDerWaalsContact O-N 3.12Å; D134-R137 PolarHBondContact O-N 2.81Å; D134-R137 IonicContact OD1-CZ 3.02Å; D134-R137 IonicContact OD1-NH1 3.92Å; D134-R137 PolarHBondContact OD1-NH1 3.27Å; D134-R137 IonicContact OD1-NH2 3.72Å; D134-R137 PolarHBondContact OD1-NH2 3.16Å; S135-R137 VanDerWaalsContact C-N 3.32Å; S135-R137 PolarHBondContact O-N 2.72Å |
| 138 | L | 89.1 | Confident | 93.2 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.8 | -46.4 | 177.5 | -97.1 | 62.3 | 0 | 0 | 0 | 111 | D134 S135 K140 K141 S142 L282 | D134-L138 WeakPolarHBondContact O-CB 3.48Å; D134-L138 WeakPolarHBondContact O-CD1 3.42Å; D134-L138 PolarHBondContact O-N 3.09Å; S135-L138 PolarHBondContact O-N 3.32Å; L138-K140 VanDerWaalsContact C-N 3.32Å; L138-K140 PolarHBondContact O-N 3.16Å; L138-K141 PolarHBondContact O-N 2.82Å; L138-K141 VanDerWaalsContact O-N 3.08Å; L138-S142 PolarHBondContact O-N 2.92Å; L138-S142 PolarHBondContact O-OG 2.95Å; L138-L282 HydrophobicContact CD2-CB 4.07Å; L138-L282 HydrophobicContact CD2-CD2 4.18Å; L138-L282 HydrophobicContact CD2-CG 4.25Å; L138-L282 VanDerWaalsContact CD2-O 3.26Å; L138-L282 WeakPolarHBondContact CD2-O 3.26Å |
| 139 | F | 89.8 | Confident | 93.2 | Very high | 33 Ų | 33 | 65.2 Ų | 65.2 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 179.7 | 179 | -106.8 | 0 | 0 | 0 | 112.2 | L35 D36 C39 S135 K141 S142 K143 | L35-F139 HydrophobicContact CB-CE2 4.22Å; L35-F139 VanDerWaalsContact O-CE2 3.31Å; L35-F139 WeakPolarHBondContact O-CE2 3.44Å; D36-F139 HydrophobicContact CB-CZ 4.49Å; D36-F139 WeakPolarHBondContact OD1-CE1 3.31Å; D36-F139 VanDerWaalsContact OD1-CZ 3.28Å; D36-F139 WeakPolarHBondContact OD1-CZ 3.31Å; C39-F139 HydrophobicContact CB-CB 4.31Å; C39-F139 HydrophobicContact CB-CD1 3.63Å; C39-F139 HydrophobicContact CB-CD2 3.59Å; C39-F139 HydrophobicContact CB-CE1 3.79Å; C39-F139 HydrophobicContact CB-CE2 3.76Å; C39-F139 HydrophobicContact CB-CG 3.53Å; C39-F139 HydrophobicContact CB-CZ 3.87Å; C39-F139 VanDerWaalsContact SG-CB 3.52Å; C39-F139 WeakPolarHBondContact SG-CD1 3.21Å; C39-F139 WeakPolarHBondContact SG-CG 3.37Å; S135-F139 VanDerWaalsContact O-CB 3.25Å; S135-F139 WeakPolarHBondContact O-CB 3.37Å; S135-F139 PolarHBondContact O-N 2.91Å; F139-K141 VanDerWaalsContact C-N 3.28Å; F139-K141 PolarHBondContact O-N 2.65Å; F139-S142 WeakPolarHBondContact O-CB 3.41Å; F139-S142 PolarHBondContact O-N 3.3Å; F139-S142 VanDerWaalsContact O-N 3.07Å; F139-K143 HydrophobicContact CE1-CD 4.28Å; F139-K143 HydrophobicContact CZ-CB 4.45Å; F139-K143 HydrophobicContact CZ-CD 4.42Å; F139-K143 WeakPolarHBondContact O-CB 3.42Å; F139-K143 PolarHBondContact O-N 2.94Å |
| 140 | K | 91.9 | Very high | 93.1 | Very high | 132 Ų | 132 | 63.4 Ų | 63.4 | 57% | 0.574 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55 | -43.9 | 175.3 | -178 | 177.5 | 171.7 | -177.5 | 0 | 112.3 | G136 L138 K143 E144 | G136-K140 PolarHBondContact O-N 3.07Å; L138-K140 VanDerWaalsContact C-N 3.32Å; L138-K140 PolarHBondContact O-N 3.16Å; K140-K143 PolarHBondContact O-N 3.03Å; K140-E144 WeakPolarHBondContact CE-OE1 3.28Å; K140-E144 IonicContact NZ-OE1 2.75Å; K140-E144 WeakPolarHBondContact O-CG 3.3Å; K140-E144 PolarHBondContact O-N 3.26Å |
| 141 | K | 92.3 | Very high | 93.2 | Very high | 134 Ų | 134 | 62.4 Ų | 62.4 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | 176 | -68.8 | -172.6 | 174.1 | -168.2 | 0 | 112.5 | L138 F139 K143 E144 V145 | L138-K141 PolarHBondContact O-N 2.82Å; L138-K141 VanDerWaalsContact O-N 3.08Å; F139-K141 VanDerWaalsContact C-N 3.28Å; F139-K141 PolarHBondContact O-N 2.65Å; K141-K143 VanDerWaalsContact C-N 3.29Å; K141-K143 PolarHBondContact O-N 2.81Å; K141-E144 WeakPolarHBondContact O-CB 3.33Å; K141-E144 PolarHBondContact O-N 3.08Å; K141-V145 WeakPolarHBondContact O-CG2 3.37Å; K141-V145 PolarHBondContact O-N 3.32Å |
| 142 | S | 90.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 175.9 | -49.2 | 0 | 0 | 0 | 0 | 110.6 | L138 F139 V145 G146 C279 | L138-S142 PolarHBondContact O-N 2.92Å; L138-S142 PolarHBondContact O-OG 2.95Å; F139-S142 WeakPolarHBondContact O-CB 3.41Å; F139-S142 PolarHBondContact O-N 3.3Å; F139-S142 VanDerWaalsContact O-N 3.07Å; S142-V145 PolarHBondContact O-N 3.3Å; S142-G146 PolarHBondContact O-N 2.95Å; S142-C279 WeakPolarHBondContact OG-CB 3.36Å; S142-C279 PolarHBondContact OG-O 3.47Å |
| 143 | K | 91.8 | Very high | 93.4 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 173.3 | -176.2 | 162.4 | -164.7 | 169.7 | 0 | 113 | M32 D36 F139 K140 K141 G146 Q147 | M32-K143 HydrophobicContact SD-CD 4.27Å; M32-K143 HydrophobicContact SD-CG 3.8Å; D36-K143 WeakPolarHBondContact OD1-CE 3.43Å; D36-K143 IonicContact OD1-NZ 3.12Å; D36-K143 PolarHBondContact OD1-NZ 3.04Å; D36-K143 IonicContact OD2-NZ 3.84Å; D36-K143 PolarHBondContact OD2-NZ 3.28Å; F139-K143 HydrophobicContact CE1-CD 4.28Å; F139-K143 HydrophobicContact CZ-CB 4.45Å; F139-K143 HydrophobicContact CZ-CD 4.42Å; F139-K143 WeakPolarHBondContact O-CB 3.42Å; F139-K143 PolarHBondContact O-N 2.94Å; K140-K143 PolarHBondContact O-N 3.03Å; K141-K143 VanDerWaalsContact C-N 3.29Å; K141-K143 PolarHBondContact O-N 2.81Å; K143-G146 PolarHBondContact O-N 2.77Å; K143-Q147 WeakPolarHBondContact O-CB 3.22Å; K143-Q147 PolarHBondContact O-N 3.09Å |
| 144 | E | 94.4 | Very high | 93.6 | Very high | 109 Ų | 109 | 59.4 Ų | 59.4 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 174.6 | -72.2 | 164.3 | -179.7 | 0 | 0 | 111.7 | K140 K141 Q148 | K140-E144 WeakPolarHBondContact CE-OE1 3.28Å; K140-E144 IonicContact NZ-OE1 2.75Å; K140-E144 WeakPolarHBondContact O-CG 3.3Å; K140-E144 PolarHBondContact O-N 3.26Å; K141-E144 WeakPolarHBondContact O-CB 3.33Å; K141-E144 PolarHBondContact O-N 3.08Å; E144-Q148 PolarHBondContact O-N 3.45Å |
| 145 | V | 94.9 | Very high | 93.8 | Very high | 70 Ų | 70 | 63 Ų | 63 | 42% | 0.424 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 174.8 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | K141 S142 Q147 Q148 L149 L275 | K141-V145 WeakPolarHBondContact O-CG2 3.37Å; K141-V145 PolarHBondContact O-N 3.32Å; S142-V145 PolarHBondContact O-N 3.3Å; V145-Q147 VanDerWaalsContact C-N 3.34Å; V145-Q147 PolarHBondContact O-N 2.7Å; V145-Q148 PolarHBondContact O-N 2.73Å; V145-L149 HydrophobicContact CG1-CD1 4.17Å; V145-L149 WeakPolarHBondContact O-CG 3.4Å; V145-L149 PolarHBondContact O-N 3.03Å; V145-L275 HydrophobicContact CB-CD1 4.11Å; V145-L275 HydrophobicContact CG1-CD1 3.92Å |
| 146 | G | 94.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S142 K143 L149 Q150 | S142-G146 PolarHBondContact O-N 2.95Å; K143-G146 PolarHBondContact O-N 2.77Å; G146-L149 PolarHBondContact O-N 2.74Å; G146-Q150 WeakPolarHBondContact O-CG 3.45Å; G146-Q150 PolarHBondContact O-N 2.78Å; G146-Q150 VanDerWaalsContact O-N 3.1Å |
| 147 | Q | 95.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.2 | -171.8 | 64 | 58.5 | 0 | 0 | 111.5 | M32 K143 V145 L149 Q150 D151 | M32-Q147 HydrophobicContact CE-CB 4.42Å; K143-Q147 WeakPolarHBondContact O-CB 3.22Å; K143-Q147 PolarHBondContact O-N 3.09Å; V145-Q147 VanDerWaalsContact C-N 3.34Å; V145-Q147 PolarHBondContact O-N 2.7Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-L149 PolarHBondContact O-N 3.13Å; Q147-Q150 PolarHBondContact O-N 2.59Å; Q147-Q150 VanDerWaalsContact O-N 3.17Å; Q147-D151 PolarHBondContact NE2-OD1 3.04Å; Q147-D151 WeakPolarHBondContact O-CB 3.4Å; Q147-D151 PolarHBondContact O-N 3.16Å |
| 148 | Q | 96.4 | Very high | 94.5 | Very high | 104 Ų | 104 | 60.2 Ų | 60.2 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 177.1 | -178.5 | 62.2 | 56.4 | 0 | 0 | 111.9 | E144 V145 Q150 D151 D152 | E144-Q148 PolarHBondContact O-N 3.45Å; V145-Q148 PolarHBondContact O-N 2.73Å; Q148-Q150 VanDerWaalsContact C-N 3.33Å; Q148-Q150 PolarHBondContact O-N 2.92Å; Q148-D151 PolarHBondContact O-N 3.45Å; Q148-D152 PolarHBondContact NE2-OD2 2.86Å; Q148-D152 PolarHBondContact O-N 3.49Å |
| 149 | L | 96.3 | Very high | 94.8 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 22% | 0.22 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 176.3 | -69.7 | 167.6 | 0 | 0 | 0 | 112.4 | V145 G146 Q147 L153 Y267 D271 | V145-L149 HydrophobicContact CG1-CD1 4.17Å; V145-L149 WeakPolarHBondContact O-CG 3.4Å; V145-L149 PolarHBondContact O-N 3.03Å; G146-L149 PolarHBondContact O-N 2.74Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-L149 PolarHBondContact O-N 3.13Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 PolarHBondContact O-N 3.29Å; L149-L153 VanDerWaalsContact O-N 3.12Å; L149-Y267 HydrophobicContact CB-CD2 4.13Å; L149-Y267 HydrophobicContact CB-CE2 3.87Å; L149-D271 HydrophobicContact CD1-CB 4.18Å; L149-D271 HydrophobicContact CD2-CB 4.28Å |
| 150 | Q | 96.7 | Very high | 95 | Very high | 13 Ų | 13 | 61.2 Ų | 61.2 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.8 | -40.8 | 176.6 | -71.8 | -173.1 | -3.5 | 0 | 0 | 112.5 | L28 G146 Q147 Q148 L153 M154 Y267 | L28-Q150 HydrophobicContact CB-CG 4.19Å; L28-Q150 HydrophobicContact CD1-CB 4.12Å; L28-Q150 HydrophobicContact CD1-CG 4.15Å; L28-Q150 HydrophobicContact CD2-CG 4.2Å; L28-Q150 HydrophobicContact CG-CG 4.39Å; L28-Q150 PolarHBondContact O-NE2 3.16Å; L28-Q150 PolarHBondContact O-OE1 3.1Å; G146-Q150 WeakPolarHBondContact O-CG 3.45Å; G146-Q150 PolarHBondContact O-N 2.78Å; G146-Q150 VanDerWaalsContact O-N 3.1Å; Q147-Q150 PolarHBondContact O-N 2.59Å; Q147-Q150 VanDerWaalsContact O-N 3.17Å; Q148-Q150 VanDerWaalsContact C-N 3.33Å; Q148-Q150 PolarHBondContact O-N 2.92Å; Q150-L153 PolarHBondContact O-N 3.37Å; Q150-M154 WeakPolarHBondContact O-CB 3.45Å; Q150-M154 VanDerWaalsContact O-CG 3.32Å; Q150-M154 WeakPolarHBondContact O-CG 3.4Å; Q150-M154 PolarHBondContact O-N 3.07Å; Q150-Y267 HydrophobicContact CG-CE2 4.06Å; Q150-Y267 VanDerWaalsContact CG-OH 3.27Å; Q150-Y267 WeakPolarHBondContact CG-OH 3.33Å; Q150-Y267 PolarHBondContact NE2-OH 3.4Å; Q150-Y267 VanDerWaalsContact NE2-OH 3.09Å |
| 151 | D | 97.1 | Very high | 95 | Very high | 85 Ų | 85 | 59.1 Ų | 59.1 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 179.1 | -72.7 | -8.7 | 0 | 0 | 0 | 111.5 | Q147 Q148 M154 K155 | Q147-D151 PolarHBondContact NE2-OD1 3.04Å; Q147-D151 WeakPolarHBondContact O-CB 3.4Å; Q147-D151 PolarHBondContact O-N 3.16Å; Q148-D151 PolarHBondContact O-N 3.45Å; D151-M154 PolarHBondContact O-N 3.32Å; D151-K155 WeakPolarHBondContact O-CB 3.29Å; D151-K155 PolarHBondContact O-N 3.49Å |
| 152 | D | 96.9 | Very high | 95.1 | Very high | 75 Ų | 75 | 55.7 Ų | 55.7 | 40% | 0.401 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 174.7 | -79.5 | -41.2 | 0 | 0 | 0 | 112.3 | Q148 K155 V156 | Q148-D152 PolarHBondContact NE2-OD2 2.86Å; Q148-D152 PolarHBondContact O-N 3.49Å; D152-K155 WeakPolarHBondContact O-CB 3.47Å; D152-K155 PolarHBondContact O-N 3.44Å; D152-V156 PolarHBondContact O-N 3.47Å; D152-V156 VanDerWaalsContact O-N 3.14Å |
| 153 | L | 96.8 | Very high | 95.3 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -46 | 173.9 | 179.1 | 63.1 | 0 | 0 | 0 | 111.5 | L28 L149 Q150 K155 V156 L157 V264 Y267 Y268 | L28-L153 HydrophobicContact CD1-CD2 4.29Å; L28-L153 HydrophobicContact CD2-CD2 4.22Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 PolarHBondContact O-N 3.29Å; L149-L153 VanDerWaalsContact O-N 3.12Å; Q150-L153 PolarHBondContact O-N 3.37Å; L153-K155 VanDerWaalsContact C-N 3.26Å; L153-K155 PolarHBondContact O-N 3.33Å; L153-V156 PolarHBondContact O-N 2.93Å; L153-L157 HydrophobicContact CG-CD1 4.46Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.43Å; L153-V264 HydrophobicContact CD1-CB 4.47Å; L153-V264 HydrophobicContact CD1-CG2 3.85Å; L153-Y267 HydrophobicContact CD2-CD1 3.7Å; L153-Y267 HydrophobicContact CD2-CD2 4.3Å; L153-Y267 HydrophobicContact CD2-CE1 4.31Å; L153-Y267 HydrophobicContact CD2-CG 3.71Å; L153-Y268 HydrophobicContact CD2-CE2 4.36Å |
| 154 | M | 96.4 | Very high | 95.4 | Very high | 19 Ų | 19 | 53.8 Ų | 53.8 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -34.3 | 177.1 | -78.5 | -58.8 | -36.9 | 0 | 0 | 112.2 | V21 R25 L28 Q150 D151 L157 N158 | V21-M154 HydrophobicContact CG1-CE 3.81Å; R25-M154 HydrophobicContact CB-SD 4.01Å; R25-M154 HydrophobicContact CG-SD 4.22Å; L28-M154 HydrophobicContact CD1-CG 3.89Å; L28-M154 HydrophobicContact CD1-SD 4.03Å; Q150-M154 WeakPolarHBondContact O-CB 3.45Å; Q150-M154 VanDerWaalsContact O-CG 3.32Å; Q150-M154 WeakPolarHBondContact O-CG 3.4Å; Q150-M154 PolarHBondContact O-N 3.07Å; D151-M154 PolarHBondContact O-N 3.32Å; M154-L157 HydrophobicContact SD-CD1 4.14Å; M154-N158 VanDerWaalsContact O-CG 3.27Å; M154-N158 PolarHBondContact O-N 3.41Å; M154-N158 VanDerWaalsContact O-N 3.08Å; M154-N158 PolarHBondContact O-ND2 3.35Å |
| 155 | K | 96.8 | Very high | 95.4 | Very high | 115 Ų | 115 | 53.9 Ų | 53.9 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 174.4 | -178.2 | -173.9 | 170.7 | -164.9 | 0 | 111.9 | D151 D152 L153 L157 N158 E159 | D151-K155 WeakPolarHBondContact O-CB 3.29Å; D151-K155 PolarHBondContact O-N 3.49Å; D152-K155 WeakPolarHBondContact O-CB 3.47Å; D152-K155 PolarHBondContact O-N 3.44Å; L153-K155 VanDerWaalsContact C-N 3.26Å; L153-K155 PolarHBondContact O-N 3.33Å; K155-L157 VanDerWaalsContact C-N 3.31Å; K155-L157 PolarHBondContact O-N 3.42Å; K155-N158 PolarHBondContact O-N 3.2Å; K155-N158 VanDerWaalsContact O-N 3.1Å; K155-E159 WeakPolarHBondContact CE-OE1 3.39Å; K155-E159 WeakPolarHBondContact O-CG 3.26Å; K155-E159 PolarHBondContact O-N 3.42Å |
| 156 | V | 96.7 | Very high | 95.4 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 178.3 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | D152 L153 E159 L160 T260 | D152-V156 PolarHBondContact O-N 3.47Å; D152-V156 VanDerWaalsContact O-N 3.14Å; L153-V156 PolarHBondContact O-N 2.93Å; V156-E159 PolarHBondContact O-N 3.23Å; V156-L160 PolarHBondContact O-N 3.36Å; V156-L160 VanDerWaalsContact O-N 3.09Å; V156-T260 HydrophobicContact CG1-CG2 4.2Å |
| 157 | L | 94.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 174 | -66.1 | 169.3 | 0 | 0 | 0 | 112.5 | Y17 V21 I24 L153 M154 K155 E159 L160 Y161 T260 V264 | Y17-L157 WeakPolarHBondContact OH-CA 3.23Å; Y17-L157 WeakPolarHBondContact OH-CD2 3.18Å; Y17-L157 PolarHBondContact OH-O 2.8Å; V21-L157 HydrophobicContact CG1-CB 4.44Å; V21-L157 HydrophobicContact CG2-CB 4.21Å; V21-L157 HydrophobicContact CG2-CD2 4.4Å; I24-L157 HydrophobicContact CD1-CD1 4.08Å; I24-L157 HydrophobicContact CD1-CD2 4.31Å; I24-L157 HydrophobicContact CG2-CD1 3.97Å; L153-L157 HydrophobicContact CG-CD1 4.46Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.43Å; M154-L157 HydrophobicContact SD-CD1 4.14Å; K155-L157 VanDerWaalsContact C-N 3.31Å; K155-L157 PolarHBondContact O-N 3.42Å; L157-E159 VanDerWaalsContact C-N 3.33Å; L157-E159 PolarHBondContact O-N 3.36Å; L157-L160 PolarHBondContact O-N 3.15Å; L157-Y161 PolarHBondContact O-N 3.44Å; L157-T260 HydrophobicContact CD2-CG2 3.71Å; L157-V264 HydrophobicContact CD2-CG2 4.28Å |
| 158 | N | 93.6 | Very high | 95.4 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 47% | 0.465 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.5 | -32.4 | 175.8 | -69.6 | -45.4 | 0 | 0 | 0 | 112.5 | M154 K155 | M154-N158 VanDerWaalsContact O-CG 3.27Å; M154-N158 PolarHBondContact O-N 3.41Å; M154-N158 VanDerWaalsContact O-N 3.08Å; M154-N158 PolarHBondContact O-ND2 3.35Å; K155-N158 PolarHBondContact O-N 3.2Å; K155-N158 VanDerWaalsContact O-N 3.1Å |
| 159 | E | 95.4 | Very high | 95.2 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 45% | 0.453 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 174.8 | -73.6 | 174.3 | -169.7 | 0 | 0 | 111 | K155 V156 L157 Y161 S162 V163 | K155-E159 WeakPolarHBondContact CE-OE1 3.39Å; K155-E159 WeakPolarHBondContact O-CG 3.26Å; K155-E159 PolarHBondContact O-N 3.42Å; V156-E159 PolarHBondContact O-N 3.23Å; L157-E159 VanDerWaalsContact C-N 3.33Å; L157-E159 PolarHBondContact O-N 3.36Å; E159-Y161 VanDerWaalsContact C-N 3.33Å; E159-Y161 PolarHBondContact O-N 3.2Å; E159-S162 WeakPolarHBondContact O-CB 2.89Å; E159-S162 PolarHBondContact O-N 2.95Å; E159-S162 PolarHBondContact O-OG 2.77Å; E159-V163 PolarHBondContact O-N 3.1Å |
| 160 | L | 94.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.8 | -41.3 | 178.7 | -174.3 | 61.5 | 0 | 0 | 0 | 113 | Y17 V156 L157 S162 V163 M164 Y253 A256 L257 T260 | Y17-L160 HydrophobicContact CE2-CD2 3.95Å; V156-L160 PolarHBondContact O-N 3.36Å; V156-L160 VanDerWaalsContact O-N 3.09Å; L157-L160 PolarHBondContact O-N 3.15Å; L160-S162 PolarHBondContact O-N 2.72Å; L160-V163 PolarHBondContact O-N 3.31Å; L160-M164 HydrophobicContact CD1-CG 4.49Å; L160-M164 HydrophobicContact CG-CG 4.36Å; L160-M164 HydrophobicContact CG-SD 4.05Å; L160-M164 WeakPolarHBondContact O-CG 3.3Å; L160-M164 PolarHBondContact O-N 3.45Å; L160-Y253 HydrophobicContact CD1-CD2 3.82Å; L160-Y253 HydrophobicContact CD1-CE2 3.84Å; L160-A256 HydrophobicContact CD1-CB 3.83Å; L160-L257 HydrophobicContact CD1-CB 4.21Å; L160-L257 HydrophobicContact CD2-CD1 3.9Å; L160-T260 HydrophobicContact CD2-CG2 3.89Å |
| 161 | Y | 92.9 | Very high | 95.1 | Very high | 88 Ų | 88 | 56 Ų | 56 | 35% | 0.345 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -52 | -43.1 | 173.5 | 177.9 | -78.2 | 0 | 0 | 0 | 112.1 | I14 Y17 L157 E159 K165 | I14-Y161 HydrophobicContact CD1-CD2 4.37Å; I14-Y161 HydrophobicContact CD1-CE2 4.39Å; I14-Y161 HydrophobicContact CG2-CD2 4.22Å; I14-Y161 HydrophobicContact CG2-CE2 3.42Å; I14-Y161 VanDerWaalsContact CG2-CE2 3.42Å; Y17-Y161 HydrophobicContact CD1-CD2 4.37Å; L157-Y161 PolarHBondContact O-N 3.44Å; E159-Y161 VanDerWaalsContact C-N 3.33Å; E159-Y161 PolarHBondContact O-N 3.2Å; Y161-K165 HydrophobicContact CE1-CD 4.34Å; Y161-K165 WeakPolarHBondContact O-CB 3.47Å; Y161-K165 PolarHBondContact O-N 3.45Å; Y161-K165 VanDerWaalsContact O-N 3.16Å |
| 162 | S | 93.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 43% | 0.434 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.5 | -37.8 | -178.3 | 80.2 | 0 | 0 | 0 | 0 | 112.5 | E159 L160 T166 | E159-S162 WeakPolarHBondContact O-CB 2.89Å; E159-S162 PolarHBondContact O-N 2.95Å; E159-S162 PolarHBondContact O-OG 2.77Å; L160-S162 PolarHBondContact O-N 2.72Å; S162-T166 WeakPolarHBondContact O-CB 3.39Å; S162-T166 PolarHBondContact O-N 3.2Å; S162-T166 VanDerWaalsContact O-N 3.14Å; S162-T166 PolarHBondContact O-OG1 3.3Å |
| 163 | V | 95.7 | Very high | 94.7 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.4 | -43.4 | 178.6 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | E159 L160 K165 T166 Y167 E252 A256 | E159-V163 PolarHBondContact O-N 3.1Å; L160-V163 PolarHBondContact O-N 3.31Å; V163-K165 PolarHBondContact O-N 3.47Å; V163-T166 WeakPolarHBondContact O-CB 3.17Å; V163-T166 PolarHBondContact O-N 3.44Å; V163-Y167 PolarHBondContact O-N 3.17Å; V163-E252 HydrophobicContact CG1-CB 4.07Å; V163-A256 HydrophobicContact CB-CB 4.44Å; V163-A256 HydrophobicContact CG1-CB 4.38Å; V163-A256 HydrophobicContact CG2-CB 4.23Å |
| 164 | M | 93.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54 | -52.3 | 173.6 | -75.2 | 171.2 | 67.6 | 0 | 0 | 112.1 | I13 I14 Y17 L160 T166 Y167 H168 Y253 | I13-M164 HydrophobicContact CG2-CE 3.64Å; I14-M164 HydrophobicContact CD1-CB 4.14Å; I14-M164 HydrophobicContact CD1-CE 4.22Å; Y17-M164 HydrophobicContact CD1-SD 4.1Å; Y17-M164 HydrophobicContact CD2-SD 4.33Å; Y17-M164 HydrophobicContact CE1-SD 4.43Å; Y17-M164 HydrophobicContact CG-CE 4.14Å; Y17-M164 HydrophobicContact CG-SD 4.05Å; L160-M164 HydrophobicContact CD1-CG 4.49Å; L160-M164 HydrophobicContact CG-CG 4.36Å; L160-M164 HydrophobicContact CG-SD 4.05Å; L160-M164 WeakPolarHBondContact O-CG 3.3Å; L160-M164 PolarHBondContact O-N 3.45Å; M164-T166 VanDerWaalsContact C-N 3.29Å; M164-T166 PolarHBondContact O-N 3.05Å; M164-Y167 PolarHBondContact O-N 3.02Å; M164-H168 VanDerWaalsContact O-CG 3.22Å; M164-H168 PolarHBondContact O-N 2.99Å; M164-H168 PolarHBondContact O-ND1 2.94Å; M164-Y253 HydrophobicContact CG-CD2 3.57Å; M164-Y253 HydrophobicContact CG-CE2 3.23Å; M164-Y253 HydrophobicContact SD-CE2 4.04Å |
| 165 | K | 93.3 | Very high | 94.4 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 179.2 | -172.7 | 176.5 | -177.9 | 177.3 | 0 | 112.2 | Y161 V163 H168 M169 | Y161-K165 HydrophobicContact CE1-CD 4.34Å; Y161-K165 WeakPolarHBondContact O-CB 3.47Å; Y161-K165 PolarHBondContact O-N 3.45Å; Y161-K165 VanDerWaalsContact O-N 3.16Å; V163-K165 PolarHBondContact O-N 3.47Å; K165-H168 PolarHBondContact O-N 3.43Å; K165-M169 WeakPolarHBondContact O-CB 3.2Å; K165-M169 PolarHBondContact O-N 3.3Å |
| 166 | T | 94.4 | Very high | 94.2 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 34% | 0.344 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | S162 V163 M164 Y170 | S162-T166 WeakPolarHBondContact O-CB 3.39Å; S162-T166 PolarHBondContact O-N 3.2Å; S162-T166 VanDerWaalsContact O-N 3.14Å; S162-T166 PolarHBondContact O-OG1 3.3Å; V163-T166 WeakPolarHBondContact O-CB 3.17Å; V163-T166 PolarHBondContact O-N 3.44Å; M164-T166 VanDerWaalsContact C-N 3.29Å; M164-T166 PolarHBondContact O-N 3.05Å; T166-Y170 HydrophobicContact CG2-CD2 3.92Å; T166-Y170 HydrophobicContact CG2-CE2 3.5Å; T166-Y170 VanDerWaalsContact O-CD2 3.3Å; T166-Y170 WeakPolarHBondContact O-CD2 3.31Å; T166-Y170 PolarHBondContact O-N 3.33Å |
| 167 | Y | 96 | Very high | 94 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 172.5 | 163.7 | -117.1 | 0 | 0 | 0 | 112.1 | V163 M164 M169 Y170 N171 R250 Y253 | V163-Y167 PolarHBondContact O-N 3.17Å; M164-Y167 PolarHBondContact O-N 3.02Å; Y167-M169 VanDerWaalsContact C-N 3.31Å; Y167-M169 PolarHBondContact O-N 2.85Å; Y167-Y170 PolarHBondContact O-N 2.93Å; Y167-N171 HydrophobicContact CD2-CB 4.33Å; Y167-N171 HydrophobicContact CE2-CB 3.92Å; Y167-N171 WeakPolarHBondContact O-CB 3.17Å; Y167-N171 PolarHBondContact O-N 3.06Å; Y167-R250 HydrophobicContact CD2-CB 3.71Å; Y167-R250 HydrophobicContact CD2-CG 4.26Å; Y167-R250 HydrophobicContact CE2-CB 3.6Å; Y167-R250 HydrophobicContact CE2-CG 3.83Å; Y167-Y253 AromaticContact CD1-CD1 4Å; Y167-Y253 HydrophobicContact CD1-CD1 4Å; Y167-Y253 HydrophobicContact CE1-CD1 4.43Å |
| 168 | H | 94.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 179.5 | -63.9 | 159.8 | 0 | 0 | 0 | 112.3 | D10 M164 K165 A172 | D10-H168 HydrophobicContact CB-CB 4.08Å; D10-H168 IonicContact OD1-CE1 2.6Å; D10-H168 IonicContact OD1-CG 2.67Å; D10-H168 IonicContact OD1-ND1 2.62Å; D10-H168 PolarHBondContact OD1-ND1 2.64Å; M164-H168 VanDerWaalsContact O-CG 3.22Å; M164-H168 PolarHBondContact O-N 2.99Å; M164-H168 PolarHBondContact O-ND1 2.94Å; K165-H168 PolarHBondContact O-N 3.43Å; H168-A172 WeakPolarHBondContact O-CB 3.48Å; H168-A172 PolarHBondContact O-N 3.4Å |
| 169 | M | 94.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 55.6 Ų | 55.6 | 50% | 0.498 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.9 | -56.5 | 176.8 | -178.2 | 175.7 | 66 | 0 | 0 | 111.9 | K165 Y167 N171 A172 D173 | K165-M169 WeakPolarHBondContact O-CB 3.2Å; K165-M169 PolarHBondContact O-N 3.3Å; Y167-M169 VanDerWaalsContact C-N 3.31Å; Y167-M169 PolarHBondContact O-N 2.85Å; M169-N171 VanDerWaalsContact C-N 3.3Å; M169-N171 PolarHBondContact O-N 3.27Å; M169-A172 PolarHBondContact O-N 3.37Å; M169-D173 PolarHBondContact O-N 3.42Å |
| 170 | Y | 95.5 | Very high | 93.6 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.7 | -31.3 | -178.8 | -65.1 | -46.4 | 0 | 0 | 0 | 113 | T166 Y167 D173 S174 K245 A249 | T166-Y170 HydrophobicContact CG2-CD2 3.92Å; T166-Y170 HydrophobicContact CG2-CE2 3.5Å; T166-Y170 VanDerWaalsContact O-CD2 3.3Å; T166-Y170 WeakPolarHBondContact O-CD2 3.31Å; T166-Y170 PolarHBondContact O-N 3.33Å; Y167-Y170 PolarHBondContact O-N 2.93Å; Y170-D173 PolarHBondContact O-N 3.45Å; Y170-S174 WeakPolarHBondContact O-CB 3.39Å; Y170-S174 PolarHBondContact O-N 3Å; Y170-K245 HydrophobicContact CD1-CB 4.35Å; Y170-K245 HydrophobicContact CG-CB 4.24Å; Y170-A249 HydrophobicContact CD2-CB 3.79Å; Y170-A249 HydrophobicContact CE2-CB 4.5Å |
| 171 | N | 93.8 | Very high | 93.4 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 174 | -171.2 | 43.7 | 0 | 0 | 0 | 111.8 | Y167 M169 D173 S174 I175 | Y167-N171 HydrophobicContact CD2-CB 4.33Å; Y167-N171 HydrophobicContact CE2-CB 3.92Å; Y167-N171 WeakPolarHBondContact O-CB 3.17Å; Y167-N171 PolarHBondContact O-N 3.06Å; M169-N171 VanDerWaalsContact C-N 3.3Å; M169-N171 PolarHBondContact O-N 3.27Å; N171-D173 PolarHBondContact O-N 3.09Å; N171-S174 WeakPolarHBondContact O-CB 3.38Å; N171-S174 PolarHBondContact O-N 2.89Å; N171-I175 VanDerWaalsContact O-CG1 3.32Å; N171-I175 WeakPolarHBondContact O-CG1 3.46Å; N171-I175 PolarHBondContact O-N 3.48Å |
| 172 | A | 93.3 | Very high | 93.3 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 50% | 0.496 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H168 M169 I175 S176 | H168-A172 WeakPolarHBondContact O-CB 3.48Å; H168-A172 PolarHBondContact O-N 3.4Å; M169-A172 PolarHBondContact O-N 3.37Å; A172-I175 PolarHBondContact O-N 3.17Å; A172-S176 VanDerWaalsContact O-CB 3.3Å; A172-S176 WeakPolarHBondContact O-CB 3.32Å; A172-S176 PolarHBondContact O-N 2.9Å |
| 173 | D | 93.6 | Very high | 93 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 175.2 | -98.1 | -18.3 | 0 | 0 | 0 | 113.3 | M169 Y170 N171 A177 N242 | M169-D173 PolarHBondContact O-N 3.42Å; Y170-D173 PolarHBondContact O-N 3.45Å; N171-D173 PolarHBondContact O-N 3.09Å; D173-A177 WeakPolarHBondContact O-CB 3.36Å; D173-A177 PolarHBondContact O-N 3.02Å; D173-N242 PolarHBondContact O-ND2 3.17Å |
| 174 | S | 94.5 | Very high | 92.5 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -49.1 | 172.8 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | Y170 N171 S176 A177 Q178 K243 | Y170-S174 WeakPolarHBondContact O-CB 3.39Å; Y170-S174 PolarHBondContact O-N 3Å; N171-S174 WeakPolarHBondContact O-CB 3.38Å; N171-S174 PolarHBondContact O-N 2.89Å; S174-S176 PolarHBondContact O-N 2.85Å; S174-A177 PolarHBondContact O-N 3.34Å; S174-Q178 WeakPolarHBondContact O-CB 3.34Å; S174-Q178 PolarHBondContact O-N 3.21Å; S174-K243 WeakPolarHBondContact OG-CA 3.27Å |
| 175 | I | 92.5 | Very high | 92.1 | Very high | 74 Ų | 74 | 60.8 Ų | 60.8 | 38% | 0.379 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 176.9 | -66.2 | 164 | 0 | 0 | 0 | 110.8 | N171 A172 A177 Q178 S179 | N171-I175 VanDerWaalsContact O-CG1 3.32Å; N171-I175 WeakPolarHBondContact O-CG1 3.46Å; N171-I175 PolarHBondContact O-N 3.48Å; A172-I175 PolarHBondContact O-N 3.17Å; I175-A177 PolarHBondContact O-N 2.74Å; I175-Q178 PolarHBondContact O-N 3.36Å; I175-S179 PolarHBondContact O-N 2.73Å; I175-S179 PolarHBondContact O-OG 2.92Å |
| 176 | S | 92.5 | Very high | 91.7 | Very high | 45 Ų | 45 | 61.6 Ų | 61.6 | 32% | 0.315 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.8 | -164.3 | 0 | 0 | 0 | 0 | 112.1 | A172 S174 K180 | A172-S176 VanDerWaalsContact O-CB 3.3Å; A172-S176 WeakPolarHBondContact O-CB 3.32Å; A172-S176 PolarHBondContact O-N 2.9Å; S174-S176 PolarHBondContact O-N 2.85Å; S176-K180 VanDerWaalsContact O-CD 3.3Å; S176-K180 WeakPolarHBondContact O-CD 3.3Å; S176-K180 WeakPolarHBondContact O-CG 3.42Å; S176-K180 PolarHBondContact O-N 2.87Å; S176-K180 PolarHBondContact OG-NZ 3.4Å |
| 177 | A | 91.8 | Very high | 91 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | D173 S174 I175 S179 K180 L181 N242 | D173-A177 WeakPolarHBondContact O-CB 3.36Å; D173-A177 PolarHBondContact O-N 3.02Å; S174-A177 PolarHBondContact O-N 3.34Å; I175-A177 PolarHBondContact O-N 2.74Å; A177-S179 PolarHBondContact O-N 3.25Å; A177-K180 PolarHBondContact O-N 3.06Å; A177-L181 WeakPolarHBondContact O-CB 3.25Å; A177-L181 PolarHBondContact O-N 3.08Å; A177-N242 HydrophobicContact CB-CB 4.42Å |
| 178 | Q | 92.4 | Very high | 90.2 | Very high | 64 Ų | 64 | 61.6 Ų | 61.6 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 178.1 | -163.5 | -175.4 | 21.7 | 0 | 0 | 112.4 | S174 I175 L181 K182 Y239 | S174-Q178 WeakPolarHBondContact O-CB 3.34Å; S174-Q178 PolarHBondContact O-N 3.21Å; I175-Q178 PolarHBondContact O-N 3.36Å; Q178-L181 WeakPolarHBondContact O-CB 3.41Å; Q178-L181 PolarHBondContact O-N 2.67Å; Q178-K182 WeakPolarHBondContact O-CG 3.43Å; Q178-K182 PolarHBondContact O-N 3.33Å; Q178-Y239 HydrophobicContact CB-CD2 3.71Å; Q178-Y239 HydrophobicContact CB-CE2 3.62Å; Q178-Y239 HydrophobicContact CG-CD2 4.1Å; Q178-Y239 HydrophobicContact CG-CE2 3.63Å; Q178-Y239 PolarHBondContact NE2-OH 3.34Å |
| 179 | S | 91.8 | Very high | 89.3 | Confident | 75 Ų | 75 | 66.7 Ų | 66.7 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -42 | 175.8 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | I175 A177 L181 K182 E183 | I175-S179 PolarHBondContact O-N 2.73Å; I175-S179 PolarHBondContact O-OG 2.92Å; A177-S179 PolarHBondContact O-N 3.25Å; S179-L181 VanDerWaalsContact C-N 3.34Å; S179-L181 PolarHBondContact O-N 3.04Å; S179-K182 PolarHBondContact O-N 3.4Å; S179-E183 PolarHBondContact O-N 2.69Å |
| 180 | K | 91.6 | Very high | 88.4 | Confident | 108 Ų | 108 | 68.4 Ų | 68.4 | 47% | 0.47 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.5 | -35 | 176.4 | -70.1 | 160.7 | -176.1 | 150.9 | 0 | 112 | S176 A177 A184 R235 | S176-K180 VanDerWaalsContact O-CD 3.3Å; S176-K180 WeakPolarHBondContact O-CD 3.3Å; S176-K180 WeakPolarHBondContact O-CG 3.42Å; S176-K180 PolarHBondContact O-N 2.87Å; S176-K180 PolarHBondContact OG-NZ 3.4Å; A177-K180 PolarHBondContact O-N 3.06Å; K180-A184 PolarHBondContact O-N 2.84Å; K180-R235 WeakPolarHBondContact O-CD 3.4Å; K180-R235 PolarHBondContact O-NH1 3.04Å |
| 181 | L | 90.1 | Very high | 86.9 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.6 | -52.8 | 172.1 | 171.4 | 62.6 | 0 | 0 | 0 | 111.3 | A177 Q178 S179 E183 A184 E185 K232 R235 Q236 Y239 | A177-L181 WeakPolarHBondContact O-CB 3.25Å; A177-L181 PolarHBondContact O-N 3.08Å; Q178-L181 WeakPolarHBondContact O-CB 3.41Å; Q178-L181 PolarHBondContact O-N 2.67Å; S179-L181 VanDerWaalsContact C-N 3.34Å; S179-L181 PolarHBondContact O-N 3.04Å; L181-E183 PolarHBondContact O-N 2.75Å; L181-A184 WeakPolarHBondContact O-CA 3.22Å; L181-A184 WeakPolarHBondContact O-CB 3.22Å; L181-A184 PolarHBondContact O-N 3.4Å; L181-E185 HydrophobicContact CD1-CG 4.19Å; L181-E185 HydrophobicContact CG-CG 4.49Å; L181-E185 WeakPolarHBondContact O-CG 3.36Å; L181-E185 PolarHBondContact O-N 2.94Å; L181-K232 HydrophobicContact CD1-CG 4.09Å; L181-R235 HydrophobicContact CB-CB 4.41Å; L181-R235 HydrophobicContact CD1-CB 4.38Å; L181-Q236 HydrophobicContact CD1-CB 4.1Å; L181-Q236 VanDerWaalsContact CD2-OE1 3.28Å; L181-Y239 HydrophobicContact CD2-CD1 3.36Å; L181-Y239 HydrophobicContact CD2-CE1 3.96Å; L181-Y239 HydrophobicContact CD2-CG 3.91Å |
| 182 | K | 90.1 | Very high | 85.5 | Confident | 121 Ų | 121 | 69.5 Ų | 69.5 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.5 | -33.5 | 177.3 | -74.8 | -178.8 | 173.5 | -176.8 | 0 | 113.3 | Q178 S179 E185 K186 | Q178-K182 WeakPolarHBondContact O-CG 3.43Å; Q178-K182 PolarHBondContact O-N 3.33Å; S179-K182 PolarHBondContact O-N 3.4Å; K182-E185 VanDerWaalsContact CA-OE2 3.31Å; K182-E185 WeakPolarHBondContact CA-OE2 3.29Å; K182-K186 VanDerWaalsContact O-CB 3.32Å; K182-K186 WeakPolarHBondContact O-CB 3.36Å; K182-K186 PolarHBondContact O-N 3.44Å |
| 183 | E | 88.3 | Confident | 83.7 | Confident | 104 Ų | 104 | 68.5 Ų | 68.5 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 172.4 | -157.2 | -156.7 | 160.6 | 0 | 0 | 112.4 | S179 L181 K186 Q187 | S179-E183 PolarHBondContact O-N 2.69Å; L181-E183 PolarHBondContact O-N 2.75Å; E183-K186 PolarHBondContact O-N 3.02Å; E183-Q187 WeakPolarHBondContact O-CB 3.27Å; E183-Q187 WeakPolarHBondContact O-CG 3.34Å; E183-Q187 PolarHBondContact O-N 3Å; E183-Q187 PolarHBondContact OE1-NE2 3.17Å |
| 184 | A | 85.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.1 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | K180 L181 K186 Q187 E188 K232 | K180-A184 PolarHBondContact O-N 2.84Å; L181-A184 WeakPolarHBondContact O-CA 3.22Å; L181-A184 WeakPolarHBondContact O-CB 3.22Å; L181-A184 PolarHBondContact O-N 3.4Å; A184-K186 VanDerWaalsContact C-N 3.35Å; A184-K186 PolarHBondContact O-N 2.97Å; A184-Q187 PolarHBondContact O-N 3.01Å; A184-Q187 VanDerWaalsContact O-N 3.1Å; A184-E188 WeakPolarHBondContact O-CB 3.38Å; A184-E188 PolarHBondContact O-N 3.3Å; A184-K232 HydrophobicContact CB-CB 4.13Å |
| 185 | E | 84.7 | Confident | 79.7 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 28% | 0.276 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.6 | -49.2 | 172.7 | -67.2 | 168.6 | 149.6 | 0 | 0 | 110.3 | L181 K182 Q187 E188 E189 K232 | L181-E185 HydrophobicContact CD1-CG 4.19Å; L181-E185 HydrophobicContact CG-CG 4.49Å; L181-E185 WeakPolarHBondContact O-CG 3.36Å; L181-E185 PolarHBondContact O-N 2.94Å; K182-E185 VanDerWaalsContact CA-OE2 3.31Å; K182-E185 WeakPolarHBondContact CA-OE2 3.29Å; E185-Q187 VanDerWaalsContact C-N 3.25Å; E185-Q187 PolarHBondContact O-N 3.38Å; E185-E188 WeakPolarHBondContact O-CB 3.49Å; E185-E188 PolarHBondContact O-N 3.01Å; E185-E189 WeakPolarHBondContact O-CG 3.43Å; E185-E189 PolarHBondContact O-N 3.21Å; E185-K232 HydrophobicContact CG-CD 4.15Å; E185-K232 HydrophobicContact CG-CG 4.34Å |
| 186 | K | 85.7 | Confident | 77.7 | Confident | 128 Ų | 128 | 76.9 Ų | 76.9 | 56% | 0.557 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67.9 | -18.9 | 176.5 | -165.2 | 168.2 | -172.3 | 169.9 | 0 | 114.3 | K182 E183 A184 K190 | K182-K186 VanDerWaalsContact O-CB 3.32Å; K182-K186 WeakPolarHBondContact O-CB 3.36Å; K182-K186 PolarHBondContact O-N 3.44Å; E183-K186 PolarHBondContact O-N 3.02Å; A184-K186 VanDerWaalsContact C-N 3.35Å; A184-K186 PolarHBondContact O-N 2.97Å; K186-K190 WeakPolarHBondContact O-CB 3.33Å; K186-K190 WeakPolarHBondContact O-CD 3.42Å; K186-K190 WeakPolarHBondContact O-CG 3.25Å |
| 187 | Q | 79.9 | Confident | 75.5 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 29% | 0.285 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -84.2 | -36.9 | 172.2 | -75.6 | 172.9 | 17.5 | 0 | 0 | 111.7 | E183 A184 E185 K190 Q191 I228 | E183-Q187 WeakPolarHBondContact O-CB 3.27Å; E183-Q187 WeakPolarHBondContact O-CG 3.34Å; E183-Q187 PolarHBondContact O-N 3Å; E183-Q187 PolarHBondContact OE1-NE2 3.17Å; A184-Q187 PolarHBondContact O-N 3.01Å; A184-Q187 VanDerWaalsContact O-N 3.1Å; E185-Q187 VanDerWaalsContact C-N 3.25Å; E185-Q187 PolarHBondContact O-N 3.38Å; Q187-K190 PolarHBondContact O-N 2.87Å; Q187-Q191 PolarHBondContact O-N 3.07Å; Q187-I228 HydrophobicContact CB-CD1 4.49Å |
| 188 | E | 78.6 | Confident | 73.3 | Confident | 32 Ų | 32 | 89.5 Ų | 89.5 | 15% | 0.15 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.9 | -53 | 173.2 | -179 | -170.2 | -116 | 0 | 0 | 110.9 | A184 E185 K190 Q191 I192 I228 K232 | A184-E188 WeakPolarHBondContact O-CB 3.38Å; A184-E188 PolarHBondContact O-N 3.3Å; E185-E188 WeakPolarHBondContact O-CB 3.49Å; E185-E188 PolarHBondContact O-N 3.01Å; E188-K190 PolarHBondContact O-N 3.08Å; E188-Q191 PolarHBondContact O-N 3.31Å; E188-I192 HydrophobicContact CG-CD1 3.81Å; E188-I192 WeakPolarHBondContact O-CG1 3.47Å; E188-I192 PolarHBondContact O-N 3.21Å; E188-I228 HydrophobicContact CB-CG2 3.95Å; E188-K232 VanDerWaalsContact CD-NZ 3.31Å; E188-K232 WeakPolarHBondContact OE1-CD 3.49Å; E188-K232 IonicContact OE1-NZ 2.7Å; E188-K232 PolarHBondContact OE1-NZ 3.17Å; E188-K232 WeakPolarHBondContact OE2-CD 3.37Å; E188-K232 WeakPolarHBondContact OE2-CE 3.46Å; E188-K232 IonicContact OE2-NZ 2.68Å; E188-K232 PolarHBondContact OE2-NZ 3.22Å |
| 189 | E | 76.4 | Confident | 71.2 | Confident | 129 Ų | 129 | 94.5 Ų | 94.5 | 60% | 0.603 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -51.1 | -41.7 | 172.4 | -73.2 | 174.9 | 167.8 | 0 | 0 | 112 | E185 Q191 G193 | E185-E189 WeakPolarHBondContact O-CG 3.43Å; E185-E189 PolarHBondContact O-N 3.21Å; E189-Q191 VanDerWaalsContact C-N 3.33Å; E189-Q191 PolarHBondContact O-N 2.88Å; E189-G193 WeakPolarHBondContact O-CA 3.33Å; E189-G193 PolarHBondContact O-N 3.36Å |
| 190 | K | 73.6 | Confident | 68.8 | Low | 136 Ų | 136 | 98 Ų | 98 | 59% | 0.591 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.8 | -22.9 | 178.1 | -83.4 | 178.2 | 178.8 | -176.1 | 0 | 114.3 | K186 Q187 E188 K194 | K186-K190 WeakPolarHBondContact O-CB 3.33Å; K186-K190 WeakPolarHBondContact O-CD 3.42Å; K186-K190 WeakPolarHBondContact O-CG 3.25Å; Q187-K190 PolarHBondContact O-N 2.87Å; E188-K190 PolarHBondContact O-N 3.08Å; K190-K194 VanDerWaalsContact O-CG 3.3Å; K190-K194 WeakPolarHBondContact O-CG 2.99Å |
| 191 | Q | 64.9 | Low | 66.8 | Low | 72 Ų | 72 | 103.9 Ų | 103.9 | 34% | 0.336 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -89.4 | -40.6 | 173.3 | -68.6 | -158.6 | 2.5 | 0 | 0 | 111.6 | Q187 E188 E189 K194 S195 S224 I228 | Q187-Q191 PolarHBondContact O-N 3.07Å; E188-Q191 PolarHBondContact O-N 3.31Å; E189-Q191 VanDerWaalsContact C-N 3.33Å; E189-Q191 PolarHBondContact O-N 2.88Å; Q191-K194 PolarHBondContact O-N 3.45Å; Q191-S195 PolarHBondContact O-N 2.71Å; Q191-S224 PolarHBondContact OE1-OG 3.49Å; Q191-I228 HydrophobicContact CG-CD1 4.23Å; Q191-I228 VanDerWaalsContact NE2-CD1 3.28Å |
| 192 | I | 63.2 | Low | 64.3 | Low | 88 Ų | 88 | 113 Ų | 113 | 45% | 0.451 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.1 | -47.8 | 176.2 | -62.6 | 174.4 | 0 | 0 | 0 | 110.5 | E188 K194 S195 V196 | E188-I192 HydrophobicContact CG-CD1 3.81Å; E188-I192 WeakPolarHBondContact O-CG1 3.47Å; E188-I192 PolarHBondContact O-N 3.21Å; I192-K194 PolarHBondContact O-N 2.94Å; I192-S195 WeakPolarHBondContact O-CA 3.33Å; I192-S195 VanDerWaalsContact O-CB 3.25Å; I192-S195 WeakPolarHBondContact O-CB 3.38Å; I192-S195 PolarHBondContact O-N 3.45Å; I192-V196 PolarHBondContact O-N 3.4Å |
| 193 | G | 56.7 | Low | 62 | Low | 39 Ų | 39 | 113.7 Ų | 113.7 | 40% | 0.402 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -18.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E189 | E189-G193 WeakPolarHBondContact O-CA 3.33Å; E189-G193 PolarHBondContact O-N 3.36Å |
| 194 | K | 53.8 | Low | 60.1 | Low | 169 Ų | 169 | 114.3 Ų | 114.3 | 74% | 0.735 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -78.8 | -23 | 168.4 | -84.3 | -176.5 | 176.2 | -168.9 | 0 | 113.2 | K190 Q191 I192 | K190-K194 VanDerWaalsContact O-CG 3.3Å; K190-K194 WeakPolarHBondContact O-CG 2.99Å; Q191-K194 PolarHBondContact O-N 3.45Å; I192-K194 PolarHBondContact O-N 2.94Å |
| 195 | S | 49.9 | Very low | 57.7 | Low | 82 Ų | 82 | 126.2 Ų | 126.2 | 57% | 0.573 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.4 | -39.1 | 175.1 | -163 | 0 | 0 | 0 | 0 | 111.9 | Q191 I192 | Q191-S195 PolarHBondContact O-N 2.71Å; I192-S195 WeakPolarHBondContact O-CA 3.33Å; I192-S195 VanDerWaalsContact O-CB 3.25Å; I192-S195 WeakPolarHBondContact O-CB 3.38Å; I192-S195 PolarHBondContact O-N 3.45Å |
| 196 | V | 49.8 | Very low | 55.6 | Low | 87 Ų | 87 | 128.7 Ų | 128.7 | 53% | 0.527 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.7 | -42.2 | -177 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | I192 Q198 E199 | I192-V196 PolarHBondContact O-N 3.4Å; V196-Q198 PolarHBondContact O-N 2.71Å; V196-E199 PolarHBondContact O-N 3.47Å |
| 197 | K | 47.9 | Very low | 54.3 | Low | 187 Ų | 187 | 127.8 Ų | 127.8 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 10.2 | -176.6 | -71.6 | -165 | 172.5 | -166.8 | 0 | 115.9 | ||
| 198 | Q | 45.4 | Very low | 52.3 | Low | 133 Ų | 133 | 132 Ų | 132 | 62% | 0.621 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -2.9 | 174.6 | -158.3 | 166.3 | 23.7 | 0 | 0 | 113.8 | V196 | V196-Q198 PolarHBondContact O-N 2.71Š|
| 199 | E | 47.4 | Very low | 50.2 | Low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -26.8 | 177.1 | -67.1 | -172.6 | 129.2 | 0 | 0 | 113.8 | V196 R201 | V196-E199 PolarHBondContact O-N 3.47Å; E199-R201 PolarHBondContact O-N 3.38Å |
| 200 | D | 42.7 | Very low | 48.5 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -74.7 | 46.2 | -179.8 | -78.1 | -39.6 | 0 | 0 | 0 | 115.2 | ||
| 201 | R | 47.8 | Very low | 47.2 | Very low | 232 Ų | 232 | 134.8 Ų | 134.8 | 88% | 0.875 | 72% | 0.72 | S | S | * | * | trans | -154.5 | 58.3 | 170.7 | -137.5 | 178.6 | -165.9 | -160.7 | 2.9 | 118 | E199 | E199-R201 PolarHBondContact O-N 3.38Š| ||
| 202 | Q | 37.7 | Very low | 46.3 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 91% | 0.911 | 74% | 0.744 | S | S | * | * | trans | -161.2 | 120.8 | 144.4 | -109.9 | 148.6 | 21.8 | 0 | 0 | 113.2 | ||||
| 203 | T | 43.3 | Very low | 45.6 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -84.5 | 162.1 | 165.5 | 36 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 204 | P | 46.6 | Very low | 45.3 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -89.9 | 147.3 | -150.4 | 33.2 | -36.8 | 0 | 0 | 0 | 115.6 | ||||
| 205 | R | 36.5 | Very low | 45.3 | Very low | 250 Ų | 250 | 148.7 Ų | 148.7 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | trans | -161.8 | 154.2 | 137.9 | -103.5 | 153.4 | -169.9 | 178.4 | 3.1 | 110.2 | ||||
| 206 | S | 39.9 | Very low | 45.1 | Very low | 111 Ų | 111 | 152.9 Ų | 152.9 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -97.5 | 174 | -175.9 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 207 | P | 57.3 | Low | 45 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -124.8 | 179.6 | -12 | 21.3 | 2.7 | 0 | 0 | 0 | 114.4 | ||||
| 208 | D | 38.1 | Very low | 45 | Very low | 150 Ų | 150 | 153 Ų | 153 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 53 | 109.3 | 153.2 | -57.7 | -17.3 | 0 | 0 | 0 | 122.3 | ||||
| 209 | S | 36 | Very low | 45.4 | Very low | 126 Ų | 126 | 153.8 Ų | 153.8 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | -164.7 | 129.4 | 140 | -83.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 210 | T | 39.3 | Very low | 45.5 | Very low | 145 Ų | 145 | 150.3 Ų | 150.3 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -87.7 | 113.5 | 173.5 | 40.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 211 | A | 47.2 | Very low | 46 | Very low | 84 Ų | 84 | 148.6 Ų | 148.6 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | 72.8 | 86.8 | 69.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 212 | N | 45.4 | Very low | 46.6 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | -158.8 | 36.3 | 164.2 | -116.6 | -17.3 | 0 | 0 | 0 | 117.3 | ||||
| 213 | V | 48.9 | Very low | 47.7 | Very low | 148 Ų | 148 | 141 Ų | 141 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -131.3 | -4.2 | 176.9 | -167.1 | 0 | 0 | 0 | 0 | 113.7 | I215 | V213-I215 PolarHBondContact O-N 3.14Š|
| 214 | R | 50.7 | Low | 48.6 | Very low | 222 Ų | 222 | 136.6 Ų | 136.6 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | -98.5 | 14.5 | -157.6 | -131.3 | 175.2 | -172.2 | -176.5 | 0.6 | 116.6 | ||||
| 215 | I | 53.3 | Low | 49.8 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -98.6 | -51.9 | -166.6 | -63.5 | 179.5 | 0 | 0 | 0 | 113.5 | V213 E217 K218 | V213-I215 PolarHBondContact O-N 3.14Å; I215-E217 PolarHBondContact O-N 3.11Å; I215-K218 PolarHBondContact O-N 3.06Å |
| 216 | E | 46.3 | Very low | 51.7 | Low | 169 Ų | 169 | 128.3 Ų | 128.3 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -62.7 | -44.6 | -172.3 | -64.9 | -169.1 | 116 | 0 | 0 | 113.1 | K218 H219 V220 | E216-K218 PolarHBondContact O-N 2.95Å; E216-H219 PolarHBondContact O-N 3.39Å; E216-V220 PolarHBondContact O-N 2.69Å |
| 217 | E | 46.7 | Very low | 53.5 | Low | 122 Ų | 122 | 130.5 Ų | 130.5 | 57% | 0.57 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -63.7 | -30.9 | -177.1 | -150.8 | -162.1 | 178.1 | 0 | 0 | 112.7 | I215 H219 R221 | I215-E217 PolarHBondContact O-N 3.11Å; E217-H219 VanDerWaalsContact C-N 3.32Å; E217-H219 PolarHBondContact O-N 3.25Å; E217-R221 VanDerWaalsContact CD-NH2 3.26Å; E217-R221 WeakPolarHBondContact O-CG 3.5Å; E217-R221 PolarHBondContact O-N 2.9Å; E217-R221 IonicContact OE1-CZ 3.35Å; E217-R221 IonicContact OE1-NE 3.29Å; E217-R221 PolarHBondContact OE1-NE 3.39Å; E217-R221 IonicContact OE1-NH2 2.67Å; E217-R221 PolarHBondContact OE1-NH2 3.41Å; E217-R221 IonicContact OE2-CZ 3.85Å; E217-R221 IonicContact OE2-NH2 3.35Å; E217-R221 PolarHBondContact OE2-NH2 3.09Å |
| 218 | K | 49.4 | Very low | 54.5 | Low | 155 Ų | 155 | 126.3 Ų | 126.3 | 67% | 0.674 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.1 | -32.2 | 174.3 | -96.9 | -173.7 | 171.9 | -175.4 | 0 | 112.2 | I215 E216 R222 | I215-K218 PolarHBondContact O-N 3.06Å; E216-K218 PolarHBondContact O-N 2.95Å; K218-R222 PolarHBondContact O-N 3.34Å |
| 219 | H | 52.1 | Low | 56.5 | Low | 149 Ų | 149 | 124.2 Ų | 124.2 | 69% | 0.69 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.9 | -43.1 | -177.5 | -145.1 | -110.4 | 0 | 0 | 0 | 111.6 | E216 E217 R221 R222 S223 | E216-H219 PolarHBondContact O-N 3.39Å; E217-H219 VanDerWaalsContact C-N 3.32Å; E217-H219 PolarHBondContact O-N 3.25Å; H219-R221 PolarHBondContact O-N 3.31Å; H219-R222 PolarHBondContact O-N 3.16Å; H219-S223 PolarHBondContact O-N 3.23Å |
| 220 | V | 51.4 | Low | 58.8 | Low | 98 Ų | 98 | 125.2 Ų | 125.2 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.1 | -48.6 | 175.7 | -179 | 0 | 0 | 0 | 0 | 111.2 | E216 R222 S223 S224 | E216-V220 PolarHBondContact O-N 2.69Å; V220-R222 VanDerWaalsContact C-N 3.32Å; V220-R222 PolarHBondContact O-N 2.92Å; V220-S223 WeakPolarHBondContact O-CB 3.44Å; V220-S223 PolarHBondContact O-N 2.85Å; V220-S223 PolarHBondContact O-OG 3.48Å; V220-S224 PolarHBondContact O-N 3.34Å |
| 221 | R | 53.1 | Low | 61 | Low | 111 Ų | 111 | 121.7 Ų | 121.7 | 42% | 0.419 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.3 | -34.2 | 179.8 | -67.3 | 175.2 | -177.6 | -158.8 | 5.9 | 112.9 | E217 H219 S223 S224 | E217-R221 VanDerWaalsContact CD-NH2 3.26Å; E217-R221 WeakPolarHBondContact O-CG 3.5Å; E217-R221 PolarHBondContact O-N 2.9Å; E217-R221 IonicContact OE1-CZ 3.35Å; E217-R221 IonicContact OE1-NE 3.29Å; E217-R221 PolarHBondContact OE1-NE 3.39Å; E217-R221 IonicContact OE1-NH2 2.67Å; E217-R221 PolarHBondContact OE1-NH2 3.41Å; E217-R221 IonicContact OE2-CZ 3.85Å; E217-R221 IonicContact OE2-NH2 3.35Å; E217-R221 PolarHBondContact OE2-NH2 3.09Å; H219-R221 PolarHBondContact O-N 3.31Å; R221-S223 VanDerWaalsContact C-N 3.32Å; R221-S223 PolarHBondContact O-N 2.88Å; R221-S224 PolarHBondContact O-OG 3.03Å; R221-S224 VanDerWaalsContact O-OG 3.12Å |
| 222 | R | 58.4 | Low | 62.9 | Low | 195 Ų | 195 | 120.4 Ų | 120.4 | 74% | 0.736 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.4 | -30.5 | 173.7 | -118.3 | 178.7 | -175.9 | 178 | 2.3 | 112.8 | K218 H219 V220 | K218-R222 PolarHBondContact O-N 3.34Å; H219-R222 PolarHBondContact O-N 3.16Å; V220-R222 VanDerWaalsContact C-N 3.32Å; V220-R222 PolarHBondContact O-N 2.92Å |
| 223 | S | 62 | Low | 64.9 | Low | 73 Ų | 73 | 119.1 Ų | 119.1 | 51% | 0.51 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.8 | -36.7 | 178.9 | 80.4 | 0 | 0 | 0 | 0 | 113.2 | H219 V220 R221 K227 | H219-S223 PolarHBondContact O-N 3.23Å; V220-S223 WeakPolarHBondContact O-CB 3.44Å; V220-S223 PolarHBondContact O-N 2.85Å; V220-S223 PolarHBondContact O-OG 3.48Å; R221-S223 VanDerWaalsContact C-N 3.32Å; R221-S223 PolarHBondContact O-N 2.88Å; S223-K227 WeakPolarHBondContact O-CB 3.39Å; S223-K227 PolarHBondContact O-N 2.96Å; S223-K227 VanDerWaalsContact O-N 3.15Å |
| 224 | S | 62.9 | Low | 66.9 | Low | 44 Ų | 44 | 120 Ų | 120 | 31% | 0.308 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.1 | -38.6 | -177.1 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | Q191 V220 R221 K227 I228 | Q191-S224 PolarHBondContact OE1-OG 3.49Å; V220-S224 PolarHBondContact O-N 3.34Å; R221-S224 PolarHBondContact O-OG 3.03Å; R221-S224 VanDerWaalsContact O-OG 3.12Å; S224-K227 WeakPolarHBondContact O-CB 3.2Å; S224-K227 PolarHBondContact O-N 2.93Å; S224-I228 PolarHBondContact O-N 3.46Å |
| 225 | V | 70.5 | Confident | 68.8 | Low | 50 Ų | 50 | 112.5 Ų | 112.5 | 30% | 0.303 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -52.4 | 175.9 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | K227 I228 E229 | V225-K227 PolarHBondContact O-N 2.92Å; V225-K227 VanDerWaalsContact O-N 3.16Å; V225-I228 PolarHBondContact O-N 2.81Å; V225-E229 WeakPolarHBondContact O-CB 3.18Å; V225-E229 PolarHBondContact O-N 3.05Å |
| 226 | K | 76.7 | Confident | 70.6 | Confident | 143 Ų | 143 | 109.5 Ų | 109.5 | 62% | 0.622 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.5 | -30.7 | 175.3 | -73.2 | -168.8 | 171.2 | -167.6 | 0 | 113.5 | K230 | K226-K230 WeakPolarHBondContact O-CB 3.4Å; K226-K230 PolarHBondContact O-N 3.26Å; K226-K230 VanDerWaalsContact O-N 3.09Å |
| 227 | K | 78.5 | Confident | 72.7 | Confident | 157 Ų | 157 | 104.3 Ų | 104.3 | 68% | 0.683 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73.1 | -32.5 | 176.6 | -170.5 | 175.4 | -179.4 | 178 | 0 | 112.7 | S223 S224 V225 M231 | S223-K227 WeakPolarHBondContact O-CB 3.39Å; S223-K227 PolarHBondContact O-N 2.96Å; S223-K227 VanDerWaalsContact O-N 3.15Å; S224-K227 WeakPolarHBondContact O-CB 3.2Å; S224-K227 PolarHBondContact O-N 2.93Å; V225-K227 PolarHBondContact O-N 2.92Å; V225-K227 VanDerWaalsContact O-N 3.16Å; K227-M231 WeakPolarHBondContact O-CB 3.15Å; K227-M231 PolarHBondContact O-N 2.95Å |
| 228 | I | 77.4 | Confident | 74.9 | Confident | 21 Ų | 21 | 104.4 Ų | 104.4 | 11% | 0.108 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -80.1 | -41.2 | 173.2 | -66.7 | -165.5 | 0 | 0 | 0 | 111.4 | Q187 E188 Q191 S224 V225 K230 M231 K232 | Q187-I228 HydrophobicContact CB-CD1 4.49Å; E188-I228 HydrophobicContact CB-CG2 3.95Å; Q191-I228 HydrophobicContact CG-CD1 4.23Å; Q191-I228 VanDerWaalsContact NE2-CD1 3.28Å; S224-I228 PolarHBondContact O-N 3.46Å; V225-I228 PolarHBondContact O-N 2.81Å; I228-K230 PolarHBondContact O-N 3.4Å; I228-M231 CarbonylContact O-C 3.51Å; I228-M231 WeakPolarHBondContact O-CA 3.38Å; I228-M231 VanDerWaalsContact O-CB 3.31Å; I228-M231 WeakPolarHBondContact O-CB 3.37Å; I228-M231 PolarHBondContact O-N 2.9Å; I228-K232 PolarHBondContact O-N 3.08Å |
| 229 | E | 80.8 | Confident | 77 | Confident | 105 Ų | 105 | 98.5 Ų | 98.5 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -52 | -52.8 | 173 | -176.5 | 177.2 | -148.3 | 0 | 0 | 111 | V225 M231 K232 E233 | V225-E229 WeakPolarHBondContact O-CB 3.18Å; V225-E229 PolarHBondContact O-N 3.05Å; E229-M231 VanDerWaalsContact C-N 3.26Å; E229-M231 PolarHBondContact O-N 3.08Å; E229-K232 WeakPolarHBondContact O-CB 3.32Å; E229-K232 PolarHBondContact O-N 2.84Å; E229-E233 WeakPolarHBondContact O-CB 3.39Å; E229-E233 PolarHBondContact O-N 3.41Å |
| 230 | K | 84.6 | Confident | 79 | Confident | 148 Ų | 148 | 95 Ų | 95 | 64% | 0.643 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.4 | -24.1 | 174.1 | -169.7 | 165.1 | -173.3 | 166.6 | 0 | 113.9 | K226 I228 K234 | K226-K230 WeakPolarHBondContact O-CB 3.4Å; K226-K230 PolarHBondContact O-N 3.26Å; K226-K230 VanDerWaalsContact O-N 3.09Å; I228-K230 PolarHBondContact O-N 3.4Å; K230-K234 WeakPolarHBondContact O-CB 3.34Å; K230-K234 PolarHBondContact O-N 3.35Å; K230-K234 VanDerWaalsContact O-N 3.16Å |
| 231 | M | 84.1 | Confident | 81 | Confident | 71 Ų | 71 | 94.8 Ų | 94.8 | 35% | 0.35 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -76.6 | -40.3 | 173.9 | -167.3 | -171.5 | -52.8 | 0 | 0 | 111.7 | K227 I228 E229 R235 | K227-M231 WeakPolarHBondContact O-CB 3.15Å; K227-M231 PolarHBondContact O-N 2.95Å; I228-M231 CarbonylContact O-C 3.51Å; I228-M231 WeakPolarHBondContact O-CA 3.38Å; I228-M231 VanDerWaalsContact O-CB 3.31Å; I228-M231 WeakPolarHBondContact O-CB 3.37Å; I228-M231 PolarHBondContact O-N 2.9Å; E229-M231 VanDerWaalsContact C-N 3.26Å; E229-M231 PolarHBondContact O-N 3.08Å; M231-R235 VanDerWaalsContact O-CG 3.27Å; M231-R235 WeakPolarHBondContact O-CG 3.46Å; M231-R235 PolarHBondContact O-N 3.4Å; M231-R235 PolarHBondContact SD-NH2 3.3Å |
| 232 | K | 86.8 | Confident | 82.9 | Confident | 57 Ų | 57 | 90.2 Ų | 90.2 | 25% | 0.248 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 171.6 | 173.1 | -172.4 | 167.5 | -174.2 | 0 | 110.1 | L181 A184 E185 E188 I228 E229 K234 R235 Q236 | L181-K232 HydrophobicContact CD1-CG 4.09Å; A184-K232 HydrophobicContact CB-CB 4.13Å; E185-K232 HydrophobicContact CG-CD 4.15Å; E185-K232 HydrophobicContact CG-CG 4.34Å; E188-K232 VanDerWaalsContact CD-NZ 3.31Å; E188-K232 WeakPolarHBondContact OE1-CD 3.49Å; E188-K232 IonicContact OE1-NZ 2.7Å; E188-K232 PolarHBondContact OE1-NZ 3.17Å; E188-K232 WeakPolarHBondContact OE2-CD 3.37Å; E188-K232 WeakPolarHBondContact OE2-CE 3.46Å; E188-K232 IonicContact OE2-NZ 2.68Å; E188-K232 PolarHBondContact OE2-NZ 3.22Å; I228-K232 PolarHBondContact O-N 3.08Å; E229-K232 WeakPolarHBondContact O-CB 3.32Å; E229-K232 PolarHBondContact O-N 2.84Å; K232-K234 VanDerWaalsContact C-N 3.35Å; K232-K234 PolarHBondContact O-N 3.04Å; K232-R235 CarbonylContact O-C 3.49Å; K232-R235 WeakPolarHBondContact O-CA 3.37Å; K232-R235 PolarHBondContact O-N 2.94Å; K232-Q236 WeakPolarHBondContact O-CB 3.46Å; K232-Q236 PolarHBondContact O-N 2.89Å |
| 233 | E | 89.3 | Confident | 84.6 | Confident | 130 Ų | 130 | 85.3 Ų | 85.3 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -52.6 | -49.4 | 175.2 | -176 | -171.9 | -149.9 | 0 | 0 | 111.8 | E229 R235 Q236 A237 | E229-E233 WeakPolarHBondContact O-CB 3.39Å; E229-E233 PolarHBondContact O-N 3.41Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 3.13Å; E233-Q236 WeakPolarHBondContact O-CB 3.49Å; E233-Q236 PolarHBondContact O-N 3.43Å; E233-A237 PolarHBondContact O-N 2.84Å |
| 234 | K | 90 | Very high | 86.2 | Confident | 166 Ų | 166 | 86.4 Ų | 86.4 | 72% | 0.722 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63 | -33.2 | 176.3 | -173.2 | 170 | -177.8 | 173 | 0 | 113.3 | K230 K232 K238 | K230-K234 WeakPolarHBondContact O-CB 3.34Å; K230-K234 PolarHBondContact O-N 3.35Å; K230-K234 VanDerWaalsContact O-N 3.16Å; K232-K234 VanDerWaalsContact C-N 3.35Å; K232-K234 PolarHBondContact O-N 3.04Å; K234-K238 PolarHBondContact O-N 3Å |
| 235 | R | 90.3 | Very high | 87.8 | Confident | 65 Ų | 65 | 88.4 Ų | 88.4 | 25% | 0.245 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -76 | -34.6 | 174.6 | -71.1 | 170.1 | -176.6 | -158.7 | 9.2 | 112 | K180 L181 M231 K232 E233 K238 Y239 | K180-R235 WeakPolarHBondContact O-CD 3.4Å; K180-R235 PolarHBondContact O-NH1 3.04Å; L181-R235 HydrophobicContact CB-CB 4.41Å; L181-R235 HydrophobicContact CD1-CB 4.38Å; M231-R235 VanDerWaalsContact O-CG 3.27Å; M231-R235 WeakPolarHBondContact O-CG 3.46Å; M231-R235 PolarHBondContact O-N 3.4Å; M231-R235 PolarHBondContact SD-NH2 3.3Å; K232-R235 CarbonylContact O-C 3.49Å; K232-R235 WeakPolarHBondContact O-CA 3.37Å; K232-R235 PolarHBondContact O-N 2.94Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 3.13Å; R235-K238 PolarHBondContact O-N 3.41Å; R235-Y239 WeakPolarHBondContact O-CB 3.47Å; R235-Y239 PolarHBondContact O-N 2.87Å |
| 236 | Q | 90.9 | Very high | 88.9 | Confident | 70 Ų | 70 | 86.3 Ų | 86.3 | 33% | 0.327 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -50 | 174.5 | 178.7 | 64.6 | 50.9 | 0 | 0 | 110.3 | L181 K232 E233 K238 Y239 T240 | L181-Q236 HydrophobicContact CD1-CB 4.1Å; L181-Q236 VanDerWaalsContact CD2-OE1 3.28Å; K232-Q236 WeakPolarHBondContact O-CB 3.46Å; K232-Q236 PolarHBondContact O-N 2.89Å; E233-Q236 WeakPolarHBondContact O-CB 3.49Å; E233-Q236 PolarHBondContact O-N 3.43Å; Q236-K238 PolarHBondContact O-N 3.13Å; Q236-Y239 PolarHBondContact O-N 3.18Å; Q236-T240 PolarHBondContact NE2-OG1 2.92Å; Q236-T240 PolarHBondContact O-N 2.92Å; Q236-T240 PolarHBondContact O-OG1 3.48Å; Q236-T240 VanDerWaalsContact O-OG1 3.1Å |
| 237 | A | 91.4 | Very high | 89.8 | Confident | 61 Ų | 61 | 83.3 Ų | 83.3 | 50% | 0.504 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.4 | -48.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E233 Y239 T240 E241 | E233-A237 PolarHBondContact O-N 2.84Å; A237-Y239 PolarHBondContact O-N 2.88Å; A237-T240 PolarHBondContact O-N 3.35Å; A237-E241 WeakPolarHBondContact O-CB 3.5Å; A237-E241 PolarHBondContact O-N 3.27Å |
| 238 | K | 92.3 | Very high | 90.6 | Very high | 124 Ų | 124 | 82 Ų | 82 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 178.3 | -174.7 | 160.4 | -175.5 | 163.5 | 0 | 113.5 | K234 R235 Q236 N242 | K234-K238 PolarHBondContact O-N 3Å; R235-K238 PolarHBondContact O-N 3.41Å; Q236-K238 PolarHBondContact O-N 3.13Å; K238-N242 WeakPolarHBondContact O-CB 3.4Å; K238-N242 PolarHBondContact O-N 3.5Å |
| 239 | Y | 93.4 | Very high | 91.5 | Very high | 30 Ų | 30 | 81.5 Ų | 81.5 | 12% | 0.118 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.2 | -44.9 | 171.6 | 162.3 | -117.3 | 0 | 0 | 0 | 111.4 | Q178 L181 R235 Q236 A237 E241 N242 K243 | Q178-Y239 HydrophobicContact CB-CD2 3.71Å; Q178-Y239 HydrophobicContact CB-CE2 3.62Å; Q178-Y239 HydrophobicContact CG-CD2 4.1Å; Q178-Y239 HydrophobicContact CG-CE2 3.63Å; Q178-Y239 PolarHBondContact NE2-OH 3.34Å; L181-Y239 HydrophobicContact CD2-CD1 3.36Å; L181-Y239 HydrophobicContact CD2-CE1 3.96Å; L181-Y239 HydrophobicContact CD2-CG 3.91Å; R235-Y239 WeakPolarHBondContact O-CB 3.47Å; R235-Y239 PolarHBondContact O-N 2.87Å; Q236-Y239 PolarHBondContact O-N 3.18Å; A237-Y239 PolarHBondContact O-N 2.88Å; Y239-E241 VanDerWaalsContact C-N 3.33Å; Y239-E241 PolarHBondContact O-N 3.08Å; Y239-N242 PolarHBondContact O-N 3.39Å; Y239-K243 HydrophobicContact CD2-CB 4.43Å; Y239-K243 HydrophobicContact CE1-CD 4.47Å; Y239-K243 HydrophobicContact CE2-CB 4.24Å; Y239-K243 HydrophobicContact CE2-CD 3.91Å; Y239-K243 WeakPolarHBondContact O-CB 3.46Å; Y239-K243 PolarHBondContact O-N 3.48Å; Y239-K243 PolarHBondContact OH-NZ 3.16Å |
| 240 | T | 93.3 | Very high | 92.2 | Very high | 76 Ų | 76 | 83.1 Ų | 83.1 | 47% | 0.466 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 174.9 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | Q236 A237 L244 | Q236-T240 PolarHBondContact NE2-OG1 2.92Å; Q236-T240 PolarHBondContact O-N 2.92Å; Q236-T240 PolarHBondContact O-OG1 3.48Å; Q236-T240 VanDerWaalsContact O-OG1 3.1Å; A237-T240 PolarHBondContact O-N 3.35Å; T240-L244 WeakPolarHBondContact O-CB 3.38Å; T240-L244 PolarHBondContact O-N 3.3Å |
| 241 | E | 93.8 | Very high | 92.8 | Very high | 93 Ų | 93 | 80 Ų | 80 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.7 | -54.2 | 176.5 | -169.7 | -158.7 | 157.3 | 0 | 0 | 112.2 | A237 Y239 K243 L244 K245 | A237-E241 WeakPolarHBondContact O-CB 3.5Å; A237-E241 PolarHBondContact O-N 3.27Å; Y239-E241 VanDerWaalsContact C-N 3.33Å; Y239-E241 PolarHBondContact O-N 3.08Å; E241-K243 VanDerWaalsContact C-N 3.3Å; E241-K243 PolarHBondContact O-N 3.49Å; E241-L244 PolarHBondContact O-N 2.89Å; E241-K245 PolarHBondContact O-N 2.89Å; E241-K245 WeakPolarHBondContact OE1-CE 3.39Å; E241-K245 IonicContact OE1-NZ 2.74Å; E241-K245 PolarHBondContact OE1-NZ 3.21Å |
| 242 | N | 94.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 82 Ų | 82 | 9% | 0.086 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 179.4 | -77.8 | 10.7 | 0 | 0 | 0 | 111.7 | D173 A177 K238 Y239 K245 A246 | D173-N242 PolarHBondContact O-ND2 3.17Å; A177-N242 HydrophobicContact CB-CB 4.42Å; K238-N242 WeakPolarHBondContact O-CB 3.4Å; K238-N242 PolarHBondContact O-N 3.5Å; Y239-N242 PolarHBondContact O-N 3.39Å; N242-K245 PolarHBondContact O-N 2.81Å; N242-A246 WeakPolarHBondContact O-CB 3.23Å; N242-A246 PolarHBondContact O-N 3.25Å |
| 243 | K | 94.1 | Very high | 93.9 | Very high | 92 Ų | 92 | 81.6 Ų | 81.6 | 40% | 0.4 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 175.8 | -177 | 173.6 | -178.1 | 175.1 | 0 | 111.8 | S174 Y239 E241 A246 I247 | S174-K243 WeakPolarHBondContact OG-CA 3.27Å; Y239-K243 HydrophobicContact CD2-CB 4.43Å; Y239-K243 HydrophobicContact CE1-CD 4.47Å; Y239-K243 HydrophobicContact CE2-CB 4.24Å; Y239-K243 HydrophobicContact CE2-CD 3.91Å; Y239-K243 WeakPolarHBondContact O-CB 3.46Å; Y239-K243 PolarHBondContact O-N 3.48Å; Y239-K243 PolarHBondContact OH-NZ 3.16Å; E241-K243 VanDerWaalsContact C-N 3.3Å; E241-K243 PolarHBondContact O-N 3.49Å; K243-A246 PolarHBondContact O-N 3.45Å; K243-I247 HydrophobicContact CG-CD1 3.96Å; K243-I247 WeakPolarHBondContact O-CB 3.45Å; K243-I247 VanDerWaalsContact O-CG1 3.26Å; K243-I247 WeakPolarHBondContact O-CG1 3.3Å; K243-I247 PolarHBondContact O-N 2.9Å |
| 244 | L | 94.7 | Very high | 94.2 | Very high | 95 Ų | 95 | 79.4 Ų | 79.4 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 175 | -177 | 59.9 | 0 | 0 | 0 | 111.6 | T240 E241 I247 K248 | T240-L244 WeakPolarHBondContact O-CB 3.38Å; T240-L244 PolarHBondContact O-N 3.3Å; E241-L244 PolarHBondContact O-N 2.89Å; L244-I247 PolarHBondContact O-N 3.36Å; L244-K248 WeakPolarHBondContact O-CG 3.47Å; L244-K248 PolarHBondContact O-N 3.46Å |
| 245 | K | 95.6 | Very high | 94.5 | Very high | 87 Ų | 87 | 77 Ų | 77 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 172.7 | -71.9 | 172.1 | 174.5 | 173.3 | 0 | 112 | Y170 E241 N242 K248 A249 | Y170-K245 HydrophobicContact CD1-CB 4.35Å; Y170-K245 HydrophobicContact CG-CB 4.24Å; E241-K245 PolarHBondContact O-N 2.89Å; E241-K245 WeakPolarHBondContact OE1-CE 3.39Å; E241-K245 IonicContact OE1-NZ 2.74Å; E241-K245 PolarHBondContact OE1-NZ 3.21Å; N242-K245 PolarHBondContact O-N 2.81Å; K245-K248 PolarHBondContact O-N 3.19Å; K245-A249 WeakPolarHBondContact O-CB 3.42Å; K245-A249 PolarHBondContact O-N 3.1Å |
| 246 | A | 94.5 | Very high | 94.8 | Very high | 6 Ų | 6 | 75 Ų | 75 | 5% | 0.05 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N242 K243 R250 | N242-A246 WeakPolarHBondContact O-CB 3.23Å; N242-A246 PolarHBondContact O-N 3.25Å; K243-A246 PolarHBondContact O-N 3.45Å; A246-R250 VanDerWaalsContact O-CB 3.29Å; A246-R250 WeakPolarHBondContact O-CB 3.45Å; A246-R250 PolarHBondContact O-N 2.85Å |
| 247 | I | 94.7 | Very high | 95 | Very high | 80 Ų | 80 | 74 Ų | 74 | 41% | 0.41 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.7 | -47.6 | 174.8 | -71.5 | 164.8 | 0 | 0 | 0 | 110.6 | K243 L244 R250 N251 | K243-I247 HydrophobicContact CG-CD1 3.96Å; K243-I247 WeakPolarHBondContact O-CB 3.45Å; K243-I247 VanDerWaalsContact O-CG1 3.26Å; K243-I247 WeakPolarHBondContact O-CG1 3.3Å; K243-I247 PolarHBondContact O-N 2.9Å; L244-I247 PolarHBondContact O-N 3.36Å; I247-R250 WeakPolarHBondContact O-CB 3.49Å; I247-R250 PolarHBondContact O-N 3.4Å; I247-N251 PolarHBondContact O-N 2.92Å; I247-N251 PolarHBondContact O-OD1 3.09Å |
| 248 | K | 96.1 | Very high | 95.2 | Very high | 130 Ų | 130 | 77.4 Ų | 77.4 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.6 | -53.4 | 176.8 | -74.2 | -174.5 | 175.1 | -165.1 | 0 | 111.3 | L244 K245 R250 N251 E252 | L244-K248 WeakPolarHBondContact O-CG 3.47Å; L244-K248 PolarHBondContact O-N 3.46Å; K245-K248 PolarHBondContact O-N 3.19Å; K248-R250 PolarHBondContact O-N 2.93Å; K248-N251 WeakPolarHBondContact O-CB 3.46Å; K248-N251 PolarHBondContact O-N 2.73Å; K248-E252 WeakPolarHBondContact O-CG 3.22Å; K248-E252 PolarHBondContact O-N 2.88Å |
| 249 | A | 95.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 74 Ų | 74 | 8% | 0.083 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -27.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y170 K245 Y253 | Y170-A249 HydrophobicContact CD2-CB 3.79Å; Y170-A249 HydrophobicContact CE2-CB 4.5Å; K245-A249 WeakPolarHBondContact O-CB 3.42Å; K245-A249 PolarHBondContact O-N 3.1Å; A249-Y253 WeakPolarHBondContact O-CB 3.37Å; A249-Y253 PolarHBondContact O-N 3.14Å |
| 250 | R | 96.4 | Very high | 95.5 | Very high | 138 Ų | 138 | 72.9 Ų | 72.9 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.7 | -39.2 | 170.7 | -170 | 178.3 | 178.8 | -173.4 | -0.3 | 112.1 | Y167 A246 I247 K248 Y253 L254 | Y167-R250 HydrophobicContact CD2-CB 3.71Å; Y167-R250 HydrophobicContact CD2-CG 4.26Å; Y167-R250 HydrophobicContact CE2-CB 3.6Å; Y167-R250 HydrophobicContact CE2-CG 3.83Å; A246-R250 VanDerWaalsContact O-CB 3.29Å; A246-R250 WeakPolarHBondContact O-CB 3.45Å; A246-R250 PolarHBondContact O-N 2.85Å; I247-R250 WeakPolarHBondContact O-CB 3.49Å; I247-R250 PolarHBondContact O-N 3.4Å; K248-R250 PolarHBondContact O-N 2.93Å; R250-Y253 PolarHBondContact O-N 3.06Å; R250-L254 HydrophobicContact CG-CD1 4.41Å; R250-L254 WeakPolarHBondContact O-CG 3.47Å; R250-L254 PolarHBondContact O-N 2.75Å |
| 251 | N | 96.7 | Very high | 95.7 | Very high | 84 Ų | 84 | 71.8 Ų | 71.8 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.3 | -45.5 | 176.5 | -68.1 | 7.7 | 0 | 0 | 0 | 110.6 | I247 K248 Y253 L254 L255 | I247-N251 PolarHBondContact O-N 2.92Å; I247-N251 PolarHBondContact O-OD1 3.09Å; K248-N251 WeakPolarHBondContact O-CB 3.46Å; K248-N251 PolarHBondContact O-N 2.73Å; N251-Y253 VanDerWaalsContact C-N 3.3Å; N251-Y253 PolarHBondContact O-N 3.11Å; N251-L254 PolarHBondContact O-N 3.37Å; N251-L254 VanDerWaalsContact O-N 3.14Å; N251-L255 WeakPolarHBondContact O-CG 3.25Å; N251-L255 PolarHBondContact O-N 3.3Å |
| 252 | E | 96.8 | Very high | 95.7 | Very high | 112 Ų | 112 | 70.2 Ų | 70.2 | 52% | 0.523 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.1 | -42.8 | 172.8 | -58.6 | -47.3 | 129 | 0 | 0 | 111.6 | V163 K248 L254 L255 A256 | V163-E252 HydrophobicContact CG1-CB 4.07Å; K248-E252 WeakPolarHBondContact O-CG 3.22Å; K248-E252 PolarHBondContact O-N 2.88Å; E252-L254 PolarHBondContact O-N 2.98Å; E252-L255 PolarHBondContact O-N 2.89Å; E252-A256 VanDerWaalsContact O-CB 3.31Å; E252-A256 WeakPolarHBondContact O-CB 3.42Å; E252-A256 PolarHBondContact O-N 3.45Å |
| 253 | Y | 96.8 | Very high | 95.8 | Very high | 48 Ų | 48 | 71.3 Ų | 71.3 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 175.2 | 171 | -131.5 | 0 | 0 | 0 | 112.5 | L160 M164 Y167 A249 R250 N251 A256 L257 | L160-Y253 HydrophobicContact CD1-CD2 3.82Å; L160-Y253 HydrophobicContact CD1-CE2 3.84Å; M164-Y253 HydrophobicContact CG-CD2 3.57Å; M164-Y253 HydrophobicContact CG-CE2 3.23Å; M164-Y253 HydrophobicContact SD-CE2 4.04Å; Y167-Y253 AromaticContact CD1-CD1 4Å; Y167-Y253 HydrophobicContact CD1-CD1 4Å; Y167-Y253 HydrophobicContact CE1-CD1 4.43Å; A249-Y253 WeakPolarHBondContact O-CB 3.37Å; A249-Y253 PolarHBondContact O-N 3.14Å; R250-Y253 PolarHBondContact O-N 3.06Å; N251-Y253 VanDerWaalsContact C-N 3.3Å; N251-Y253 PolarHBondContact O-N 3.11Å; Y253-A256 PolarHBondContact O-N 3.4Å; Y253-L257 HydrophobicContact CE2-CB 4.24Å; Y253-L257 HydrophobicContact CE2-CD2 4.46Å; Y253-L257 WeakPolarHBondContact O-CB 3.29Å; Y253-L257 PolarHBondContact O-N 3.42Å |
| 254 | L | 96.4 | Very high | 96 | Very high | 85 Ų | 85 | 68.4 Ų | 68.4 | 45% | 0.445 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 177.9 | -70.6 | 169.1 | 0 | 0 | 0 | 112.3 | R250 N251 E252 E258 | R250-L254 HydrophobicContact CG-CD1 4.41Å; R250-L254 WeakPolarHBondContact O-CG 3.47Å; R250-L254 PolarHBondContact O-N 2.75Å; N251-L254 PolarHBondContact O-N 3.37Å; N251-L254 VanDerWaalsContact O-N 3.14Å; E252-L254 PolarHBondContact O-N 2.98Å; L254-E258 PolarHBondContact O-N 3.11Å; L254-E258 VanDerWaalsContact O-N 3.11Å |
| 255 | L | 96.3 | Very high | 96.1 | Very high | 114 Ų | 114 | 67.6 Ų | 67.6 | 60% | 0.597 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.3 | -46.1 | 175.2 | -67.9 | 172.1 | 0 | 0 | 0 | 111.8 | N251 E252 L257 E258 A259 | N251-L255 WeakPolarHBondContact O-CG 3.25Å; N251-L255 PolarHBondContact O-N 3.3Å; E252-L255 PolarHBondContact O-N 2.89Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.99Å; L255-E258 PolarHBondContact O-N 3.36Å; L255-A259 WeakPolarHBondContact O-CB 3.34Å; L255-A259 PolarHBondContact O-N 2.96Å |
| 256 | A | 96 | Very high | 96.1 | Very high | 25 Ų | 25 | 68.2 Ų | 68.2 | 21% | 0.207 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L160 V163 E252 Y253 T260 | L160-A256 HydrophobicContact CD1-CB 3.83Å; V163-A256 HydrophobicContact CB-CB 4.44Å; V163-A256 HydrophobicContact CG1-CB 4.38Å; V163-A256 HydrophobicContact CG2-CB 4.23Å; E252-A256 VanDerWaalsContact O-CB 3.31Å; E252-A256 WeakPolarHBondContact O-CB 3.42Å; E252-A256 PolarHBondContact O-N 3.45Å; Y253-A256 PolarHBondContact O-N 3.4Å; A256-T260 WeakPolarHBondContact O-CB 3.37Å; A256-T260 PolarHBondContact O-N 2.74Å; A256-T260 PolarHBondContact O-OG1 2.98Å |
| 257 | L | 95.6 | Very high | 96.3 | Very high | 47 Ų | 47 | 68.2 Ų | 68.2 | 25% | 0.246 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 176.1 | 179.4 | 63.5 | 0 | 0 | 0 | 111.4 | L160 Y253 L255 T260 N261 | L160-L257 HydrophobicContact CD1-CB 4.21Å; L160-L257 HydrophobicContact CD2-CD1 3.9Å; Y253-L257 HydrophobicContact CE2-CB 4.24Å; Y253-L257 HydrophobicContact CE2-CD2 4.46Å; Y253-L257 WeakPolarHBondContact O-CB 3.29Å; Y253-L257 PolarHBondContact O-N 3.42Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.99Å; L257-T260 PolarHBondContact O-N 3.41Å; L257-N261 WeakPolarHBondContact O-CB 3.32Å; L257-N261 VanDerWaalsContact O-CG 3.25Å; L257-N261 PolarHBondContact O-N 3.49Å; L257-N261 PolarHBondContact O-ND2 2.85Å |
| 258 | E | 95.8 | Very high | 96.3 | Very high | 133 Ų | 133 | 67.3 Ų | 67.3 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 177.9 | -159 | 66.7 | -166.1 | 0 | 0 | 111.5 | L254 L255 T260 N261 A262 | L254-E258 PolarHBondContact O-N 3.11Å; L254-E258 VanDerWaalsContact O-N 3.11Å; L255-E258 PolarHBondContact O-N 3.36Å; E258-T260 VanDerWaalsContact C-N 3.34Å; E258-T260 PolarHBondContact O-N 3.37Å; E258-N261 PolarHBondContact O-N 3.11Å; E258-A262 WeakPolarHBondContact O-CB 3.39Å; E258-A262 PolarHBondContact O-N 2.92Å |
| 259 | A | 95.1 | Very high | 96.3 | Very high | 53 Ų | 53 | 64.5 Ų | 64.5 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L255 A262 S263 | L255-A259 WeakPolarHBondContact O-CB 3.34Å; L255-A259 PolarHBondContact O-N 2.96Å; A259-A262 PolarHBondContact O-N 3.04Å; A259-S263 PolarHBondContact O-N 2.98Å; A259-S263 PolarHBondContact O-OG 2.88Å; A259-S263 VanDerWaalsContact O-OG 3.07Å |
| 260 | T | 97.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 68.5 Ų | 68.5 | 4% | 0.043 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.4 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | V156 L157 L160 A256 L257 E258 A262 S263 V264 | V156-T260 HydrophobicContact CG1-CG2 4.2Å; L157-T260 HydrophobicContact CD2-CG2 3.71Å; L160-T260 HydrophobicContact CD2-CG2 3.89Å; A256-T260 WeakPolarHBondContact O-CB 3.37Å; A256-T260 PolarHBondContact O-N 2.74Å; A256-T260 PolarHBondContact O-OG1 2.98Å; L257-T260 PolarHBondContact O-N 3.41Å; E258-T260 VanDerWaalsContact C-N 3.34Å; E258-T260 PolarHBondContact O-N 3.37Å; T260-A262 VanDerWaalsContact C-N 3.33Å; T260-A262 PolarHBondContact O-N 3.5Å; T260-S263 PolarHBondContact O-N 3.38Å; T260-V264 HydrophobicContact CG2-CG2 4.47Å; T260-V264 WeakPolarHBondContact O-CG2 3.37Å; T260-V264 PolarHBondContact O-N 3.36Å |
| 261 | N | 96.1 | Very high | 96.2 | Very high | 52 Ų | 52 | 63.1 Ų | 63.1 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.8 | -72.5 | -29.3 | 0 | 0 | 0 | 111.4 | L257 E258 V264 F265 Y830 | L257-N261 WeakPolarHBondContact O-CB 3.32Å; L257-N261 VanDerWaalsContact O-CG 3.25Å; L257-N261 PolarHBondContact O-N 3.49Å; L257-N261 PolarHBondContact O-ND2 2.85Å; E258-N261 PolarHBondContact O-N 3.11Å; N261-V264 PolarHBondContact O-N 3.39Å; N261-F265 VanDerWaalsContact O-CB 3.32Å; N261-F265 WeakPolarHBondContact O-CB 3.47Å; N261-F265 PolarHBondContact O-N 3.21Å; N261-Y830 PolarHBondContact OD1-OH 3.3Å |
| 262 | A | 95.3 | Very high | 96 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 50% | 0.496 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | E258 A259 T260 F265 K266 | E258-A262 WeakPolarHBondContact O-CB 3.39Å; E258-A262 PolarHBondContact O-N 2.92Å; A259-A262 PolarHBondContact O-N 3.04Å; T260-A262 VanDerWaalsContact C-N 3.33Å; T260-A262 PolarHBondContact O-N 3.5Å; A262-F265 PolarHBondContact O-N 2.82Å; A262-K266 WeakPolarHBondContact O-CB 3.35Å; A262-K266 PolarHBondContact O-N 2.95Å |
| 263 | S | 96.9 | Very high | 95.8 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 175.4 | -64.2 | 0 | 0 | 0 | 0 | 112.6 | A259 T260 K266 Y267 | A259-S263 PolarHBondContact O-N 2.98Å; A259-S263 PolarHBondContact O-OG 2.88Å; A259-S263 VanDerWaalsContact O-OG 3.07Å; T260-S263 PolarHBondContact O-N 3.38Å; S263-K266 PolarHBondContact O-N 3.12Å; S263-Y267 PolarHBondContact O-N 2.9Å |
| 264 | V | 97.1 | Very high | 95.7 | Very high | 31 Ų | 31 | 59.6 Ų | 59.6 | 19% | 0.188 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 174.1 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | L153 L157 T260 N261 K266 Y267 Y268 | L153-V264 HydrophobicContact CD1-CB 4.47Å; L153-V264 HydrophobicContact CD1-CG2 3.85Å; L157-V264 HydrophobicContact CD2-CG2 4.28Å; T260-V264 HydrophobicContact CG2-CG2 4.47Å; T260-V264 WeakPolarHBondContact O-CG2 3.37Å; T260-V264 PolarHBondContact O-N 3.36Å; N261-V264 PolarHBondContact O-N 3.39Å; V264-K266 PolarHBondContact O-N 2.8Å; V264-Y267 PolarHBondContact O-N 3.17Å; V264-Y268 HydrophobicContact CG1-CD2 3.91Å; V264-Y268 HydrophobicContact CG1-CE2 4.19Å; V264-Y268 WeakPolarHBondContact O-CD2 3.34Å; V264-Y268 PolarHBondContact O-N 2.95Å; V264-Y268 VanDerWaalsContact O-N 3.1Å |
| 265 | F | 96.7 | Very high | 95.4 | Very high | 78 Ų | 78 | 56 Ų | 56 | 34% | 0.342 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 178.2 | -173.6 | -83.5 | 0 | 0 | 0 | 111.7 | N261 A262 Y267 Y268 I269 H270 Y830 | N261-F265 VanDerWaalsContact O-CB 3.32Å; N261-F265 WeakPolarHBondContact O-CB 3.47Å; N261-F265 PolarHBondContact O-N 3.21Å; A262-F265 PolarHBondContact O-N 2.82Å; F265-Y267 PolarHBondContact O-N 3.47Å; F265-Y268 PolarHBondContact O-N 2.98Å; F265-I269 HydrophobicContact CD1-CB 4.31Å; F265-I269 HydrophobicContact CD1-CG1 4.22Å; F265-I269 HydrophobicContact CD2-CG1 4Å; F265-I269 HydrophobicContact CE1-CB 4.04Å; F265-I269 HydrophobicContact CE1-CG1 4.1Å; F265-I269 HydrophobicContact CE1-CG2 4.05Å; F265-I269 HydrophobicContact CE2-CG1 3.89Å; F265-I269 HydrophobicContact CG-CG1 4.17Å; F265-I269 HydrophobicContact CZ-CB 4.24Å; F265-I269 HydrophobicContact CZ-CG1 3.93Å; F265-I269 HydrophobicContact CZ-CG2 4.04Å; F265-I269 VanDerWaalsContact O-CB 3.26Å; F265-I269 WeakPolarHBondContact O-CB 3.29Å; F265-I269 VanDerWaalsContact O-CG1 3.31Å; F265-I269 WeakPolarHBondContact O-CG1 3.46Å; F265-I269 PolarHBondContact O-N 2.71Å; F265-H270 AromaticContact CE1-NE2 3.87Å; F265-Y830 HydrophobicContact CD2-CD1 4.27Å; F265-Y830 HydrophobicContact CD2-CE1 4.45Å |
| 266 | K | 96.6 | Very high | 95.1 | Very high | 100 Ų | 100 | 53.1 Ų | 53.1 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 179.2 | -163.9 | -178.4 | 73.4 | 70.4 | 0 | 111.8 | A262 S263 V264 H270 D271 | A262-K266 WeakPolarHBondContact O-CB 3.35Å; A262-K266 PolarHBondContact O-N 2.95Å; S263-K266 PolarHBondContact O-N 3.12Å; V264-K266 PolarHBondContact O-N 2.8Å; K266-H270 WeakPolarHBondContact O-CA 3.47Å; K266-H270 WeakPolarHBondContact O-CB 3.46Å; K266-H270 PolarHBondContact O-N 3.02Å; K266-D271 WeakPolarHBondContact CE-OD2 3.46Å; K266-D271 IonicContact NZ-OD1 2.73Å; K266-D271 PolarHBondContact NZ-OD1 2.86Å; K266-D271 IonicContact NZ-OD2 3.52Å; K266-D271 PolarHBondContact NZ-OD2 3.13Å; K266-D271 PolarHBondContact O-N 2.91Å |
| 267 | Y | 97.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -61.1 | -52.9 | 179.1 | -179.9 | -94.1 | 0 | 0 | 0 | 112.4 | L28 Q31 L149 Q150 L153 S263 V264 F265 D271 L272 | L28-Y267 HydrophobicContact CD2-CD1 4.2Å; L28-Y267 HydrophobicContact CD2-CE1 3.38Å; Q31-Y267 PolarHBondContact OE1-OH 2.93Å; Q31-Y267 VanDerWaalsContact OE1-OH 3.13Å; L149-Y267 HydrophobicContact CB-CD2 4.13Å; L149-Y267 HydrophobicContact CB-CE2 3.87Å; Q150-Y267 HydrophobicContact CG-CE2 4.06Å; Q150-Y267 VanDerWaalsContact CG-OH 3.27Å; Q150-Y267 WeakPolarHBondContact CG-OH 3.33Å; Q150-Y267 PolarHBondContact NE2-OH 3.4Å; Q150-Y267 VanDerWaalsContact NE2-OH 3.09Å; L153-Y267 HydrophobicContact CD2-CD1 3.7Å; L153-Y267 HydrophobicContact CD2-CD2 4.3Å; L153-Y267 HydrophobicContact CD2-CE1 4.31Å; L153-Y267 HydrophobicContact CD2-CG 3.71Å; S263-Y267 PolarHBondContact O-N 2.9Å; V264-Y267 PolarHBondContact O-N 3.17Å; F265-Y267 PolarHBondContact O-N 3.47Å; Y267-D271 VanDerWaalsContact CA-OD2 3.31Å; Y267-D271 WeakPolarHBondContact CA-OD2 3.32Å; Y267-D271 PolarHBondContact N-OD2 3.36Å; Y267-L272 HydrophobicContact CE1-CD1 4.09Å; Y267-L272 WeakPolarHBondContact O-CB 3.4Å; Y267-L272 PolarHBondContact O-N 3.43Å; Y267-L272 VanDerWaalsContact O-N 3.12Å |
| 268 | Y | 95.6 | Very high | 94.1 | Very high | 61 Ų | 61 | 59.7 Ų | 59.7 | 24% | 0.239 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -78.2 | -21.6 | -172.3 | -82.4 | -85.3 | 0 | 0 | 0 | 114.8 | Q27 L153 V264 F265 | Q27-Y268 VanDerWaalsContact OE1-CE1 3.23Å; Q27-Y268 PolarHBondContact OE1-OH 3.1Å; L153-Y268 HydrophobicContact CD2-CE2 4.36Å; V264-Y268 HydrophobicContact CG1-CD2 3.91Å; V264-Y268 HydrophobicContact CG1-CE2 4.19Å; V264-Y268 WeakPolarHBondContact O-CD2 3.34Å; V264-Y268 PolarHBondContact O-N 2.95Å; V264-Y268 VanDerWaalsContact O-N 3.1Å; F265-Y268 PolarHBondContact O-N 2.98Å |
| 269 | I | 95.1 | Very high | 93.2 | Very high | 72 Ų | 72 | 55.1 Ų | 55.1 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -108.3 | -24.7 | -174.6 | -53.7 | -60.6 | 0 | 0 | 0 | 112.8 | F265 A827 | F265-I269 HydrophobicContact CD1-CB 4.31Å; F265-I269 HydrophobicContact CD1-CG1 4.22Å; F265-I269 HydrophobicContact CD2-CG1 4Å; F265-I269 HydrophobicContact CE1-CB 4.04Å; F265-I269 HydrophobicContact CE1-CG1 4.1Å; F265-I269 HydrophobicContact CE1-CG2 4.05Å; F265-I269 HydrophobicContact CE2-CG1 3.89Å; F265-I269 HydrophobicContact CG-CG1 4.17Å; F265-I269 HydrophobicContact CZ-CB 4.24Å; F265-I269 HydrophobicContact CZ-CG1 3.93Å; F265-I269 HydrophobicContact CZ-CG2 4.04Å; F265-I269 VanDerWaalsContact O-CB 3.26Å; F265-I269 WeakPolarHBondContact O-CB 3.29Å; F265-I269 VanDerWaalsContact O-CG1 3.31Å; F265-I269 WeakPolarHBondContact O-CG1 3.46Å; F265-I269 PolarHBondContact O-N 2.71Å; I269-A827 HydrophobicContact CD1-CB 4.22Å |
| 270 | H | 94.3 | Very high | 92.2 | Very high | 93 Ų | 93 | 53.8 Ų | 53.8 | 43% | 0.431 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -124.8 | -64.1 | -177.3 | -57.8 | -52.8 | 0 | 0 | 0 | 112 | F265 K266 L272 S273 D274 | F265-H270 AromaticContact CE1-NE2 3.87Å; K266-H270 WeakPolarHBondContact O-CA 3.47Å; K266-H270 WeakPolarHBondContact O-CB 3.46Å; K266-H270 PolarHBondContact O-N 3.02Å; H270-L272 PolarHBondContact O-N 3.14Å; H270-L272 VanDerWaalsContact O-N 3.08Å; H270-S273 PolarHBondContact O-N 3.19Å; H270-D274 PolarHBondContact O-N 2.96Å |
| 271 | D | 95.9 | Very high | 91.5 | Very high | 25 Ų | 25 | 55.3 Ų | 55.3 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -59.2 | -33.9 | -167.8 | -53.7 | -39.9 | 0 | 0 | 0 | 113.2 | L149 K266 Y267 L275 | L149-D271 HydrophobicContact CD1-CB 4.18Å; L149-D271 HydrophobicContact CD2-CB 4.28Å; K266-D271 WeakPolarHBondContact CE-OD2 3.46Å; K266-D271 IonicContact NZ-OD1 2.73Å; K266-D271 PolarHBondContact NZ-OD1 2.86Å; K266-D271 IonicContact NZ-OD2 3.52Å; K266-D271 PolarHBondContact NZ-OD2 3.13Å; K266-D271 PolarHBondContact O-N 2.91Å; Y267-D271 VanDerWaalsContact CA-OD2 3.31Å; Y267-D271 WeakPolarHBondContact CA-OD2 3.32Å; Y267-D271 PolarHBondContact N-OD2 3.36Å; D271-L275 WeakPolarHBondContact O-CB 3.49Å; D271-L275 PolarHBondContact O-N 2.79Å |
| 272 | L | 93.1 | Very high | 91.1 | Very high | 42 Ų | 42 | 57.7 Ų | 57.7 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.5 | -28.6 | 178.6 | -171.2 | 144.2 | 0 | 0 | 0 | 113.4 | Q31 Y267 H270 I276 | Q31-L272 HydrophobicContact CB-CD1 4.48Å; Q31-L272 VanDerWaalsContact CD-CD1 3.44Å; Q31-L272 HydrophobicContact CG-CD1 4.04Å; Y267-L272 HydrophobicContact CE1-CD1 4.09Å; Y267-L272 WeakPolarHBondContact O-CB 3.4Å; Y267-L272 PolarHBondContact O-N 3.43Å; Y267-L272 VanDerWaalsContact O-N 3.12Å; H270-L272 PolarHBondContact O-N 3.14Å; H270-L272 VanDerWaalsContact O-N 3.08Å; L272-I276 HydrophobicContact CD2-CD1 4.1Å; L272-I276 WeakPolarHBondContact O-CD1 3.36Å; L272-I276 WeakPolarHBondContact O-CG1 3.39Å |
| 273 | S | 92.9 | Very high | 90.7 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 42% | 0.42 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.5 | -50.9 | 169.6 | -158.2 | 0 | 0 | 0 | 0 | 109.6 | H270 L275 I276 D277 | H270-S273 PolarHBondContact O-N 3.19Å; S273-L275 PolarHBondContact O-N 2.84Å; S273-L275 VanDerWaalsContact O-N 3.14Å; S273-I276 WeakPolarHBondContact O-CA 3.5Å; S273-I276 PolarHBondContact O-N 3.14Å; S273-D277 PolarHBondContact O-N 3.02Å; S273-D277 PolarHBondContact OG-OD2 2.75Å |
| 274 | D | 93.1 | Very high | 90.6 | Very high | 69 Ų | 69 | 55.6 Ų | 55.6 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.4 | -35.9 | 178.3 | -74.1 | -44.8 | 0 | 0 | 0 | 112.2 | H270 Q278 | H270-D274 PolarHBondContact O-N 2.96Å; D274-Q278 HydrophobicContact CB-CG 4.46Å; D274-Q278 VanDerWaalsContact CG-NE2 3.29Å; D274-Q278 WeakPolarHBondContact O-CA 3.46Å; D274-Q278 WeakPolarHBondContact O-CB 3.4Å; D274-Q278 VanDerWaalsContact O-CG 3.24Å; D274-Q278 WeakPolarHBondContact O-CG 3.47Å; D274-Q278 PolarHBondContact O-N 2.58Å; D274-Q278 PolarHBondContact OD1-NE2 3.23Å |
| 275 | L | 91.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 173.4 | -177 | 65.5 | 0 | 0 | 0 | 113 | L35 V145 D271 S273 C279 C280 | L35-L275 HydrophobicContact CD1-CD2 4.12Å; V145-L275 HydrophobicContact CB-CD1 4.11Å; V145-L275 HydrophobicContact CG1-CD1 3.92Å; D271-L275 WeakPolarHBondContact O-CB 3.49Å; D271-L275 PolarHBondContact O-N 2.79Å; S273-L275 PolarHBondContact O-N 2.84Å; S273-L275 VanDerWaalsContact O-N 3.14Å; L275-C279 HydrophobicContact CD1-CB 4.28Å; L275-C279 VanDerWaalsContact O-CB 3.24Å; L275-C279 WeakPolarHBondContact O-CB 3.25Å; L275-C279 PolarHBondContact O-N 2.9Å; L275-C280 PolarHBondContact O-N 3.31Å; L275-C280 VanDerWaalsContact O-N 3.16Å; L275-C280 PolarHBondContact O-SG 3.23Å |
| 276 | I | 89.6 | Confident | 90.3 | Very high | 55 Ų | 55 | 58.1 Ų | 58.1 | 28% | 0.282 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -72.3 | -56.1 | 178.1 | -65.7 | 166.3 | 0 | 0 | 0 | 109.4 | L35 L272 S273 Q278 C280 D281 | L35-I276 HydrophobicContact CD2-CD1 4.48Å; L35-I276 HydrophobicContact CD2-CG1 4.03Å; L272-I276 HydrophobicContact CD2-CD1 4.1Å; L272-I276 WeakPolarHBondContact O-CD1 3.36Å; L272-I276 WeakPolarHBondContact O-CG1 3.39Å; S273-I276 WeakPolarHBondContact O-CA 3.5Å; S273-I276 PolarHBondContact O-N 3.14Å; I276-Q278 PolarHBondContact O-N 2.82Å; I276-C280 WeakPolarHBondContact O-CB 3.46Å; I276-C280 PolarHBondContact O-N 3.21Å; I276-D281 PolarHBondContact O-N 2.9Å |
| 277 | D | 87.1 | Confident | 90.3 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -64.1 | -44.5 | -173.2 | -62.7 | -48.9 | 0 | 0 | 0 | 112.3 | S273 | S273-D277 PolarHBondContact O-N 3.02Å; S273-D277 PolarHBondContact OG-OD2 2.75Å |
| 278 | Q | 81.9 | Confident | 90.2 | Very high | 115 Ų | 115 | 56 Ų | 56 | 54% | 0.537 | 31% | 0.31 | S | S | . | . | I | π-helix | trans | -93.9 | -19.5 | -172.9 | -48.4 | -177.5 | 25.2 | 0 | 0 | 113.9 | D274 I276 | D274-Q278 HydrophobicContact CB-CG 4.46Å; D274-Q278 VanDerWaalsContact CG-NE2 3.29Å; D274-Q278 WeakPolarHBondContact O-CA 3.46Å; D274-Q278 WeakPolarHBondContact O-CB 3.4Å; D274-Q278 VanDerWaalsContact O-CG 3.24Å; D274-Q278 WeakPolarHBondContact O-CG 3.47Å; D274-Q278 PolarHBondContact O-N 2.58Å; D274-Q278 PolarHBondContact OD1-NE2 3.23Å; I276-Q278 PolarHBondContact O-N 2.82Å |
| 279 | C | 76.9 | Confident | 90.3 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -122.4 | -46.7 | -175 | -54.8 | 0 | 0 | 0 | 0 | 114 | S142 L275 | S142-C279 WeakPolarHBondContact OG-CB 3.36Å; S142-C279 PolarHBondContact OG-O 3.47Å; L275-C279 HydrophobicContact CD1-CB 4.28Å; L275-C279 VanDerWaalsContact O-CB 3.24Å; L275-C279 WeakPolarHBondContact O-CB 3.25Å; L275-C279 PolarHBondContact O-N 2.9Å |
| 280 | C | 75.6 | Confident | 90.4 | Very high | 25 Ų | 25 | 60.5 Ų | 60.5 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -76.8 | -35.8 | -177 | -62.1 | 0 | 0 | 0 | 0 | 113.7 | R42 L275 I276 | R42-C280 PolarHBondContact NH1-O 3.09Å; L275-C280 PolarHBondContact O-N 3.31Å; L275-C280 VanDerWaalsContact O-N 3.16Å; L275-C280 PolarHBondContact O-SG 3.23Å; I276-C280 WeakPolarHBondContact O-CB 3.46Å; I276-C280 PolarHBondContact O-N 3.21Å |
| 281 | D | 82.3 | Confident | 90.5 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -102.5 | -5.1 | -172.4 | -72.7 | 31.4 | 0 | 0 | 0 | 112.9 | R42 I276 G283 Y284 H285 | R42-D281 IonicContact CZ-OD1 2.62Å; R42-D281 IonicContact CZ-OD2 2.83Å; R42-D281 IonicContact NH1-OD1 3.88Å; R42-D281 PolarHBondContact NH1-OD1 3.13Å; R42-D281 IonicContact NH1-OD2 3.56Å; R42-D281 VanDerWaalsContact NH2-CG 3.25Å; R42-D281 IonicContact NH2-OD1 3.35Å; R42-D281 PolarHBondContact NH2-OD1 2.99Å; R42-D281 IonicContact NH2-OD2 2.73Å; R42-D281 PolarHBondContact NH2-OD2 3.05Å; I276-D281 PolarHBondContact O-N 2.9Å; D281-G283 PolarHBondContact O-N 3.26Å; D281-Y284 PolarHBondContact O-N 3.23Å; D281-H285 IonicContact OD2-CD2 2.77Å; D281-H285 IonicContact OD2-NE2 2.7Å; D281-H285 PolarHBondContact OD2-NE2 3.21Å |
| 282 | L | 87.2 | Confident | 90.6 | Very high | 103 Ų | 103 | 58 Ų | 58 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 105.5 | -174.4 | -178.3 | 66.3 | 0 | 0 | 0 | 112.6 | L138 Y284 | L138-L282 HydrophobicContact CD2-CB 4.07Å; L138-L282 HydrophobicContact CD2-CD2 4.18Å; L138-L282 HydrophobicContact CD2-CG 4.25Å; L138-L282 VanDerWaalsContact CD2-O 3.26Å; L138-L282 WeakPolarHBondContact CD2-O 3.26Å; L282-Y284 PolarHBondContact O-N 3.14Å |
| 283 | G | 88.1 | Confident | 90.9 | Very high | 39 Ų | 39 | 63.6 Ų | 63.6 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -9.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D281 S287 | D281-G283 PolarHBondContact O-N 3.26Å; G283-S287 VanDerWaalsContact O-CB 3.3Å; G283-S287 WeakPolarHBondContact O-CB 3.43Å; G283-S287 PolarHBondContact O-N 3.35Å; G283-S287 PolarHBondContact O-OG 2.85Å |
| 284 | Y | 93 | Very high | 91.1 | Very high | 15 Ų | 15 | 62.1 Ų | 62.1 | 6% | 0.059 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.2 | -60 | 179.8 | 172 | -108.3 | 0 | 0 | 0 | 111.2 | R42 L46 V131 D281 L282 A286 S287 L288 | R42-Y284 HydrophobicContact CB-CE2 4.32Å; R42-Y284 HydrophobicContact CG-CE1 4.19Å; L46-Y284 HydrophobicContact CD1-CE2 3.99Å; L46-Y284 HydrophobicContact CD2-CE2 4.22Å; L46-Y284 HydrophobicContact CG-CE2 4.15Å; V131-Y284 HydrophobicContact CG1-CD2 4.11Å; D281-Y284 PolarHBondContact O-N 3.23Å; L282-Y284 PolarHBondContact O-N 3.14Å; Y284-A286 VanDerWaalsContact C-N 3.33Å; Y284-A286 PolarHBondContact O-N 3.2Å; Y284-S287 PolarHBondContact O-N 3.02Å; Y284-L288 HydrophobicContact CE1-CD2 4.25Å; Y284-L288 WeakPolarHBondContact O-CB 3.45Å; Y284-L288 PolarHBondContact O-N 2.58Å |
| 285 | H | 94.1 | Very high | 91.4 | Very high | 102 Ų | 102 | 61.1 Ų | 61.1 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | -178.6 | -68 | -80 | 0 | 0 | 0 | 112.9 | D281 N289 | D281-H285 IonicContact OD2-CD2 2.77Å; D281-H285 IonicContact OD2-NE2 2.7Å; D281-H285 PolarHBondContact OD2-NE2 3.21Å; H285-N289 VanDerWaalsContact O-CB 3.26Å; H285-N289 WeakPolarHBondContact O-CB 3.41Å; H285-N289 PolarHBondContact O-N 2.89Å |
| 286 | A | 94.8 | Very high | 91.7 | Very high | 61 Ų | 61 | 65.8 Ų | 65.8 | 50% | 0.504 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y284 R290 | Y284-A286 VanDerWaalsContact C-N 3.33Å; Y284-A286 PolarHBondContact O-N 3.2Å; A286-R290 WeakPolarHBondContact O-CD 2.95Å; A286-R290 VanDerWaalsContact O-CG 3.27Å; A286-R290 WeakPolarHBondContact O-CG 3.42Å; A286-R290 PolarHBondContact O-N 2.9Å; A286-R290 VanDerWaalsContact O-N 3.14Å |
| 287 | S | 95.4 | Very high | 92.1 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -77.3 | -40.3 | 179.8 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | G283 Y284 R290 A291 | G283-S287 VanDerWaalsContact O-CB 3.3Å; G283-S287 WeakPolarHBondContact O-CB 3.43Å; G283-S287 PolarHBondContact O-N 3.35Å; G283-S287 PolarHBondContact O-OG 2.85Å; Y284-S287 PolarHBondContact O-N 3.02Å; S287-R290 PolarHBondContact O-N 2.81Å; S287-A291 PolarHBondContact O-N 2.93Å |
| 288 | L | 95.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 170.1 | 176.6 | 56.2 | 0 | 0 | 0 | 111.3 | L49 F128 Y284 R290 A291 L292 | L49-L288 HydrophobicContact CD1-CD1 3.95Å; F128-L288 HydrophobicContact CE1-CD1 3.73Å; F128-L288 HydrophobicContact CZ-CD1 4.44Å; Y284-L288 HydrophobicContact CE1-CD2 4.25Å; Y284-L288 WeakPolarHBondContact O-CB 3.45Å; Y284-L288 PolarHBondContact O-N 2.58Å; L288-R290 VanDerWaalsContact C-N 3.34Å; L288-R290 PolarHBondContact O-N 2.98Å; L288-A291 PolarHBondContact O-N 3.12Å; L288-L292 HydrophobicContact CD1-CD1 3.79Å; L288-L292 HydrophobicContact CD1-CG 4.07Å; L288-L292 HydrophobicContact CG-CD1 4.12Å; L288-L292 WeakPolarHBondContact O-CG 3.31Å; L288-L292 PolarHBondContact O-N 2.95Å |
| 289 | N | 97.4 | Very high | 93.4 | Very high | 80 Ų | 80 | 58.9 Ų | 58.9 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 176.1 | -170.1 | -99.6 | 0 | 0 | 0 | 112.2 | H285 L292 R293 | H285-N289 VanDerWaalsContact O-CB 3.26Å; H285-N289 WeakPolarHBondContact O-CB 3.41Å; H285-N289 PolarHBondContact O-N 2.89Å; N289-L292 PolarHBondContact O-N 3.17Å; N289-R293 VanDerWaalsContact O-CB 3.31Å; N289-R293 WeakPolarHBondContact O-CB 3.46Å; N289-R293 VanDerWaalsContact O-CG 3.3Å; N289-R293 WeakPolarHBondContact O-CG 3.33Å; N289-R293 PolarHBondContact O-N 2.96Å; N289-R293 WeakPolarHBondContact OD1-CD 3.38Å; N289-R293 PolarHBondContact OD1-NE 3.2Å |
| 290 | R | 97.7 | Very high | 94.4 | Very high | 149 Ų | 149 | 62.6 Ų | 62.6 | 56% | 0.562 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.6 | -39 | 177 | -72.6 | 166.2 | 66.7 | -142.8 | 4.3 | 112.7 | A286 S287 L288 T294 | A286-R290 WeakPolarHBondContact O-CD 2.95Å; A286-R290 VanDerWaalsContact O-CG 3.27Å; A286-R290 WeakPolarHBondContact O-CG 3.42Å; A286-R290 PolarHBondContact O-N 2.9Å; A286-R290 VanDerWaalsContact O-N 3.14Å; S287-R290 PolarHBondContact O-N 2.81Å; L288-R290 VanDerWaalsContact C-N 3.34Å; L288-R290 PolarHBondContact O-N 2.98Å; R290-T294 PolarHBondContact O-N 3.08Å; R290-T294 PolarHBondContact O-OG1 3.42Å |
| 291 | A | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R127 F128 S287 L288 R293 T294 F295 | R127-A291 HydrophobicContact CB-CB 4.19Å; F128-A291 HydrophobicContact CD1-CB 4.18Å; F128-A291 HydrophobicContact CE1-CB 3.51Å; F128-A291 HydrophobicContact CE2-CB 4.3Å; F128-A291 HydrophobicContact CZ-CB 3.59Å; S287-A291 PolarHBondContact O-N 2.93Å; L288-A291 PolarHBondContact O-N 3.12Å; A291-R293 PolarHBondContact O-N 2.9Å; A291-T294 VanDerWaalsContact O-CB 3.28Å; A291-T294 WeakPolarHBondContact O-CB 3.28Å; A291-T294 PolarHBondContact O-N 3.34Å; A291-T294 VanDerWaalsContact O-N 3.09Å; A291-F295 PolarHBondContact O-N 3.26Å; A291-F295 VanDerWaalsContact O-N 3.16Å |
| 292 | L | 98 | Very high | 96.2 | Very high | 64 Ų | 64 | 64.5 Ų | 64.5 | 34% | 0.335 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.6 | -33.4 | 178.2 | -65.2 | 174.5 | 0 | 0 | 0 | 113 | F128 L288 N289 T294 F295 L296 | F128-L292 HydrophobicContact CZ-CD2 4.23Å; L288-L292 HydrophobicContact CD1-CD1 3.79Å; L288-L292 HydrophobicContact CD1-CG 4.07Å; L288-L292 HydrophobicContact CG-CD1 4.12Å; L288-L292 WeakPolarHBondContact O-CG 3.31Å; L288-L292 PolarHBondContact O-N 2.95Å; N289-L292 PolarHBondContact O-N 3.17Å; L292-T294 VanDerWaalsContact C-N 3.29Å; L292-T294 PolarHBondContact O-N 2.92Å; L292-F295 WeakPolarHBondContact O-CB 3.3Å; L292-F295 PolarHBondContact O-N 2.83Å; L292-L296 WeakPolarHBondContact O-CG 3.13Å; L292-L296 PolarHBondContact O-N 2.84Å |
| 293 | R | 97.8 | Very high | 96.6 | Very high | 160 Ų | 160 | 64.1 Ų | 64.1 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.6 | -29.6 | 169.2 | -76.7 | -176.5 | -177.3 | -80.7 | 3 | 112.9 | N289 A291 F295 S297 | N289-R293 VanDerWaalsContact O-CB 3.31Å; N289-R293 WeakPolarHBondContact O-CB 3.46Å; N289-R293 VanDerWaalsContact O-CG 3.3Å; N289-R293 WeakPolarHBondContact O-CG 3.33Å; N289-R293 PolarHBondContact O-N 2.96Å; N289-R293 WeakPolarHBondContact OD1-CD 3.38Å; N289-R293 PolarHBondContact OD1-NE 3.2Å; A291-R293 PolarHBondContact O-N 2.9Å; R293-F295 VanDerWaalsContact C-N 3.35Å; R293-S297 VanDerWaalsContact O-CB 3.26Å; R293-S297 WeakPolarHBondContact O-CB 3.49Å; R293-S297 PolarHBondContact O-N 2.73Å |
| 294 | T | 98.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 67.6 Ų | 67.6 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 172.9 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | I119 I124 R290 A291 L292 A298 | I119-T294 HydrophobicContact CG2-CG2 4.34Å; I124-T294 HydrophobicContact CD1-CG2 4.21Å; I124-T294 HydrophobicContact CG1-CG2 3.93Å; R290-T294 PolarHBondContact O-N 3.08Å; R290-T294 PolarHBondContact O-OG1 3.42Å; A291-T294 VanDerWaalsContact O-CB 3.28Å; A291-T294 WeakPolarHBondContact O-CB 3.28Å; A291-T294 PolarHBondContact O-N 3.34Å; A291-T294 VanDerWaalsContact O-N 3.09Å; L292-T294 VanDerWaalsContact C-N 3.29Å; L292-T294 PolarHBondContact O-N 2.92Å; T294-A298 PolarHBondContact O-N 3.28Å; T294-A298 VanDerWaalsContact O-N 3.16Å |
| 295 | F | 98.3 | Very high | 97.4 | Very high | 49 Ų | 49 | 67.8 Ų | 67.8 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.8 | -55.5 | 171 | 160.7 | -107.1 | 0 | 0 | 0 | 111.8 | F53 Y120 I124 A291 L292 R293 S297 A298 E299 | F53-F295 HydrophobicContact CE1-CB 4.22Å; F53-F295 AromaticContact CE1-CD2 3.5Å; F53-F295 HydrophobicContact CE1-CD2 3.5Å; F53-F295 VanDerWaalsContact CE1-CD2 3.5Å; F53-F295 HydrophobicContact CE1-CE2 4.05Å; F53-F295 HydrophobicContact CE1-CG 4.02Å; F53-F295 HydrophobicContact CZ-CB 3.98Å; F53-F295 AromaticContact CZ-CD2 3.77Å; F53-F295 HydrophobicContact CZ-CD2 3.77Å; F53-F295 HydrophobicContact CZ-CE2 4.35Å; F53-F295 AromaticContact CZ-CG 3.84Å; F53-F295 HydrophobicContact CZ-CG 3.84Å; Y120-F295 HydrophobicContact CE1-CD2 4Å; I124-F295 VanDerWaalsContact CD1-CA 3.49Å; I124-F295 HydrophobicContact CD1-CB 3.67Å; A291-F295 PolarHBondContact O-N 3.26Å; A291-F295 VanDerWaalsContact O-N 3.16Å; L292-F295 WeakPolarHBondContact O-CB 3.3Å; L292-F295 PolarHBondContact O-N 2.83Å; R293-F295 VanDerWaalsContact C-N 3.35Å; F295-S297 VanDerWaalsContact C-N 3.27Å; F295-S297 PolarHBondContact O-N 3.19Å; F295-A298 WeakPolarHBondContact O-CB 3.32Å; F295-A298 PolarHBondContact O-N 3.04Å; F295-E299 HydrophobicContact CD2-CG 4.01Å; F295-E299 HydrophobicContact CE2-CG 3.63Å; F295-E299 WeakPolarHBondContact CE2-OE1 3.39Å; F295-E299 HydrophobicContact CZ-CG 3.95Å; F295-E299 PolarHBondContact O-N 3.13Å; F295-E299 VanDerWaalsContact O-N 3.08Å |
| 296 | L | 98.4 | Very high | 97.5 | Very high | 106 Ų | 106 | 65.5 Ų | 65.5 | 56% | 0.555 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.8 | -37.6 | -179.5 | -67.2 | 171.1 | 0 | 0 | 0 | 112.6 | L292 A298 L300 | L292-L296 WeakPolarHBondContact O-CG 3.13Å; L292-L296 PolarHBondContact O-N 2.84Å; L296-A298 VanDerWaalsContact C-N 3.34Å; L296-L300 VanDerWaalsContact O-CB 3.31Å; L296-L300 WeakPolarHBondContact O-CB 3.34Å; L296-L300 PolarHBondContact O-N 2.92Å |
| 297 | S | 98.5 | Very high | 97.7 | Very high | 66 Ų | 66 | 68.5 Ų | 68.5 | 46% | 0.462 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.9 | -35 | 175.5 | -170.4 | 0 | 0 | 0 | 0 | 112.7 | R293 F295 N301 | R293-S297 VanDerWaalsContact O-CB 3.26Å; R293-S297 WeakPolarHBondContact O-CB 3.49Å; R293-S297 PolarHBondContact O-N 2.73Å; F295-S297 VanDerWaalsContact C-N 3.27Å; F295-S297 PolarHBondContact O-N 3.19Å; S297-N301 PolarHBondContact O-N 3.36Å; S297-N301 PolarHBondContact O-ND2 2.91Å |
| 298 | A | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 71.1 Ų | 71.1 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.6 | -45.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L116 I119 T294 F295 L296 L300 N301 L302 | L116-A298 HydrophobicContact CD1-CB 3.53Å; I119-A298 HydrophobicContact CD1-CB 3.95Å; I119-A298 HydrophobicContact CG2-CB 4.04Å; T294-A298 PolarHBondContact O-N 3.28Å; T294-A298 VanDerWaalsContact O-N 3.16Å; F295-A298 WeakPolarHBondContact O-CB 3.32Å; F295-A298 PolarHBondContact O-N 3.04Å; L296-A298 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 2.99Å; A298-N301 PolarHBondContact O-N 3.15Å; A298-L302 PolarHBondContact O-N 3.15Å |
| 299 | E | 97.6 | Very high | 97.8 | Very high | 43 Ų | 43 | 70 Ų | 70 | 20% | 0.201 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 174.9 | -59.1 | -69.8 | -171 | 0 | 0 | 111.3 | K56 L116 Y120 F295 N301 L302 E303 | K56-E299 IonicContact NZ-OE1 2.75Å; K56-E299 PolarHBondContact NZ-OE1 2.93Å; L116-E299 WeakPolarHBondContact CD2-OE2 3.47Å; Y120-E299 PolarHBondContact OH-OE1 3.43Å; F295-E299 HydrophobicContact CD2-CG 4.01Å; F295-E299 HydrophobicContact CE2-CG 3.63Å; F295-E299 WeakPolarHBondContact CE2-OE1 3.39Å; F295-E299 HydrophobicContact CZ-CG 3.95Å; F295-E299 PolarHBondContact O-N 3.13Å; F295-E299 VanDerWaalsContact O-N 3.08Å; E299-N301 VanDerWaalsContact C-N 3.33Å; E299-N301 PolarHBondContact O-N 3.11Å; E299-L302 PolarHBondContact O-N 2.9Å; E299-E303 PolarHBondContact O-N 2.84Å |
| 300 | L | 97.9 | Very high | 97.8 | Very high | 115 Ų | 115 | 70.2 Ų | 70.2 | 60% | 0.602 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.1 | -38.8 | 177.1 | 179.5 | 62.7 | 0 | 0 | 0 | 112.9 | L296 A298 Q304 | L296-L300 VanDerWaalsContact O-CB 3.31Å; L296-L300 WeakPolarHBondContact O-CB 3.34Å; L296-L300 PolarHBondContact O-N 2.92Å; A298-L300 PolarHBondContact O-N 2.99Å; L300-Q304 WeakPolarHBondContact O-CB 3.46Å; L300-Q304 PolarHBondContact O-N 2.95Å |
| 301 | N | 97.9 | Very high | 97.8 | Very high | 94 Ų | 94 | 66.8 Ų | 66.8 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.9 | -32.3 | 177.5 | -81.9 | -111.3 | 0 | 0 | 0 | 111.8 | S297 A298 E299 S305 | S297-N301 PolarHBondContact O-N 3.36Å; S297-N301 PolarHBondContact O-ND2 2.91Å; A298-N301 PolarHBondContact O-N 3.15Å; E299-N301 VanDerWaalsContact C-N 3.33Å; E299-N301 PolarHBondContact O-N 3.11Å; N301-S305 WeakPolarHBondContact O-CB 3.3Å; N301-S305 PolarHBondContact O-N 2.88Å |
| 302 | L | 97.7 | Very high | 97.8 | Very high | 10 Ų | 10 | 68.6 Ų | 68.6 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.7 | -50 | 173.8 | -173.7 | 149.7 | 0 | 0 | 0 | 111.1 | D112 L116 A298 E299 Q304 S305 K306 | D112-L302 HydrophobicContact CB-CD1 4.12Å; D112-L302 HydrophobicContact CB-CG 4.1Å; L116-L302 HydrophobicContact CB-CD1 4.32Å; L116-L302 HydrophobicContact CD2-CD1 3.83Å; A298-L302 PolarHBondContact O-N 3.15Å; E299-L302 PolarHBondContact O-N 2.9Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 2.77Å; L302-S305 PolarHBondContact O-N 3.05Å; L302-K306 HydrophobicContact CD2-CD 4.45Å; L302-K306 VanDerWaalsContact O-CB 3.22Å; L302-K306 WeakPolarHBondContact O-CB 3.46Å; L302-K306 PolarHBondContact O-N 2.77Å |
| 303 | E | 97.2 | Very high | 97.7 | Very high | 95 Ų | 95 | 66.8 Ų | 66.8 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.4 | -32.8 | 178.7 | -70 | -63.2 | 150.4 | 0 | 0 | 112.1 | E299 K306 H307 | E299-E303 PolarHBondContact O-N 2.84Å; E303-K306 IonicContact OE1-NZ 3.16Å; E303-K306 PolarHBondContact OE1-NZ 3.38Å; E303-K306 IonicContact OE2-NZ 2.78Å; E303-K306 PolarHBondContact OE2-NZ 3.03Å; E303-H307 WeakPolarHBondContact O-CB 3.44Å; E303-H307 PolarHBondContact O-N 3.24Å |
| 304 | Q | 97.8 | Very high | 97.7 | Very high | 112 Ų | 112 | 65 Ų | 65 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -51 | 170.6 | -178.2 | 176.6 | -10.9 | 0 | 0 | 112.1 | L300 L302 K306 H307 E308 | L300-Q304 WeakPolarHBondContact O-CB 3.46Å; L300-Q304 PolarHBondContact O-N 2.95Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 2.77Å; Q304-K306 VanDerWaalsContact C-N 3.27Å; Q304-K306 PolarHBondContact O-N 2.95Å; Q304-H307 PolarHBondContact O-N 2.94Å; Q304-H307 VanDerWaalsContact O-N 3.15Å; Q304-E308 PolarHBondContact O-N 3.48Å |
| 305 | S | 98.2 | Very high | 97.6 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 178.2 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | R108 D112 N301 L302 G309 | R108-S305 WeakPolarHBondContact CD-O 3.13Å; R108-S305 WeakPolarHBondContact CD-OG 3.37Å; R108-S305 PolarHBondContact NE-O 3.4Å; R108-S305 PolarHBondContact NH1-O 3.06Å; R108-S305 PolarHBondContact NH1-OG 3.09Å; D112-S305 WeakPolarHBondContact OD2-CB 3.35Å; D112-S305 PolarHBondContact OD2-OG 2.9Å; N301-S305 WeakPolarHBondContact O-CB 3.3Å; N301-S305 PolarHBondContact O-N 2.88Å; L302-S305 PolarHBondContact O-N 3.05Å; S305-G309 PolarHBondContact O-N 3.23Å |
| 306 | K | 97.8 | Very high | 97.5 | Very high | 54 Ų | 54 | 63.6 Ų | 63.6 | 24% | 0.235 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 174.2 | 177.1 | 173.6 | 159.2 | -140 | 0 | 111.8 | Q105 L302 E303 Q304 G309 L310 | Q105-K306 PolarHBondContact NE2-O 3.31Å; L302-K306 HydrophobicContact CD2-CD 4.45Å; L302-K306 VanDerWaalsContact O-CB 3.22Å; L302-K306 WeakPolarHBondContact O-CB 3.46Å; L302-K306 PolarHBondContact O-N 2.77Å; E303-K306 IonicContact OE1-NZ 3.16Å; E303-K306 PolarHBondContact OE1-NZ 3.38Å; E303-K306 IonicContact OE2-NZ 2.78Å; E303-K306 PolarHBondContact OE2-NZ 3.03Å; Q304-K306 VanDerWaalsContact C-N 3.27Å; Q304-K306 PolarHBondContact O-N 2.95Å; K306-G309 CarbonylContact O-C 3.56Å; K306-G309 PolarHBondContact O-N 3.03Å; K306-G309 VanDerWaalsContact O-N 3.13Å; K306-L310 HydrophobicContact CG-CD1 4.24Å; K306-L310 WeakPolarHBondContact O-CG 3.19Å; K306-L310 PolarHBondContact O-N 3.3Å |
| 307 | H | 98.1 | Very high | 97.4 | Very high | 125 Ų | 125 | 62.2 Ų | 62.2 | 58% | 0.579 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60 | -47.1 | 176.9 | 179.2 | 40 | 0 | 0 | 0 | 112.4 | E303 Q304 G309 L310 D311 | E303-H307 WeakPolarHBondContact O-CB 3.44Å; E303-H307 PolarHBondContact O-N 3.24Å; Q304-H307 PolarHBondContact O-N 2.94Å; Q304-H307 VanDerWaalsContact O-N 3.15Å; H307-G309 PolarHBondContact O-N 3.5Å; H307-G309 VanDerWaalsContact O-N 3.15Å; H307-L310 PolarHBondContact O-N 3.11Å; H307-D311 WeakPolarHBondContact O-CB 3.32Å; H307-D311 PolarHBondContact O-N 2.87Å |
| 308 | E | 97.3 | Very high | 97.3 | Very high | 87 Ų | 87 | 65.6 Ų | 65.6 | 41% | 0.407 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -53.2 | -35.8 | 173.4 | -68.3 | 172.9 | -164.9 | 0 | 0 | 112.9 | R108 Q304 A312 | R108-E308 IonicContact CZ-OE2 3.85Å; R108-E308 VanDerWaalsContact CZ-OE2 3.22Å; R108-E308 IonicContact NH1-OE2 3.55Å; R108-E308 PolarHBondContact NH1-OE2 2.88Å; R108-E308 IonicContact NH2-OE2 2.76Å; R108-E308 PolarHBondContact NH2-OE2 3.45Å; Q304-E308 PolarHBondContact O-N 3.48Å; E308-A312 WeakPolarHBondContact O-CB 3.46Å; E308-A312 PolarHBondContact O-N 3.43Å |
| 309 | G | 96.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 69 Ų | 69 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -86.9 | -14.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q105 S305 K306 H307 I313 | Q105-G309 VanDerWaalsContact OE1-CA 3.29Å; S305-G309 PolarHBondContact O-N 3.23Å; K306-G309 CarbonylContact O-C 3.56Å; K306-G309 PolarHBondContact O-N 3.03Å; K306-G309 VanDerWaalsContact O-N 3.13Å; H307-G309 PolarHBondContact O-N 3.5Å; H307-G309 VanDerWaalsContact O-N 3.15Å; G309-I313 WeakPolarHBondContact O-CD1 3.36Å; G309-I313 WeakPolarHBondContact O-CG1 3.46Å |
| 310 | L | 97.9 | Very high | 97.1 | Very high | 84 Ų | 84 | 71 Ų | 71 | 44% | 0.44 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -83.4 | -45.2 | 168.2 | -68.9 | 173.1 | 0 | 0 | 0 | 110.3 | K306 H307 A312 I313 E314 | K306-L310 HydrophobicContact CG-CD1 4.24Å; K306-L310 WeakPolarHBondContact O-CG 3.19Å; K306-L310 PolarHBondContact O-N 3.3Å; H307-L310 PolarHBondContact O-N 3.11Å; L310-A312 VanDerWaalsContact C-N 3.29Å; L310-A312 PolarHBondContact O-N 3.5Å; L310-I313 CarbonylContact O-C 3.6Å; L310-I313 WeakPolarHBondContact O-CA 3.47Å; L310-I313 WeakPolarHBondContact O-CB 3.21Å; L310-I313 PolarHBondContact O-N 2.87Å; L310-E314 PolarHBondContact O-N 3.07Å |
| 311 | D | 97.9 | Very high | 96.9 | Very high | 76 Ų | 76 | 68.5 Ų | 68.5 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -52.4 | -46.2 | 170.3 | 163.9 | 85.6 | 0 | 0 | 0 | 111.4 | H307 I313 E314 N315 | H307-D311 WeakPolarHBondContact O-CB 3.32Å; H307-D311 PolarHBondContact O-N 2.87Å; D311-I313 PolarHBondContact O-N 3.35Å; D311-I313 VanDerWaalsContact O-N 3.15Å; D311-E314 WeakPolarHBondContact O-CB 3.44Å; D311-E314 PolarHBondContact O-N 3.45Å; D311-E314 VanDerWaalsContact O-N 3.11Å; D311-N315 PolarHBondContact O-N 3.22Å; D311-N315 PolarHBondContact O-ND2 3.14Å; D311-N315 PolarHBondContact OD1-ND2 2.81Å; D311-N315 PolarHBondContact OD2-ND2 3.08Å |
| 312 | A | 96.2 | Very high | 96.7 | Very high | 38 Ų | 38 | 67.9 Ų | 67.9 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -18.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E308 L310 | E308-A312 WeakPolarHBondContact O-CB 3.46Å; E308-A312 PolarHBondContact O-N 3.43Å; L310-A312 VanDerWaalsContact C-N 3.29Å; L310-A312 PolarHBondContact O-N 3.5Å |
| 313 | I | 97.6 | Very high | 96.5 | Very high | 27 Ų | 27 | 71.4 Ų | 71.4 | 14% | 0.138 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -88.5 | -40.2 | 171.3 | -66.3 | 165.4 | 0 | 0 | 0 | 110.2 | L101 L102 Q105 G309 L310 D311 A316 V317 | L101-I313 HydrophobicContact CB-CG1 4.2Å; L102-I313 HydrophobicContact CB-CD1 4.45Å; L102-I313 HydrophobicContact CD1-CD1 4.03Å; Q105-I313 HydrophobicContact CB-CD1 3.72Å; Q105-I313 HydrophobicContact CG-CD1 4.02Å; G309-I313 WeakPolarHBondContact O-CD1 3.36Å; G309-I313 WeakPolarHBondContact O-CG1 3.46Å; L310-I313 CarbonylContact O-C 3.6Å; L310-I313 WeakPolarHBondContact O-CA 3.47Å; L310-I313 WeakPolarHBondContact O-CB 3.21Å; L310-I313 PolarHBondContact O-N 2.87Å; D311-I313 PolarHBondContact O-N 3.35Å; D311-I313 VanDerWaalsContact O-N 3.15Å; I313-A316 CarbonylContact O-C 3.58Å; I313-A316 WeakPolarHBondContact O-CA 3.36Å; I313-A316 WeakPolarHBondContact O-CB 3.38Å; I313-A316 PolarHBondContact O-N 2.91Å; I313-A316 VanDerWaalsContact O-N 3.08Å; I313-V317 HydrophobicContact CG2-CG2 4.37Å; I313-V317 WeakPolarHBondContact O-CG2 3.49Å; I313-V317 PolarHBondContact O-N 2.84Å |
| 314 | E | 97.6 | Very high | 96.3 | Very high | 122 Ų | 122 | 68.5 Ų | 68.5 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.8 | -54.2 | 177.7 | -169.6 | 159.2 | -149.5 | 0 | 0 | 111 | L310 D311 A316 V317 E318 | L310-E314 PolarHBondContact O-N 3.07Å; D311-E314 WeakPolarHBondContact O-CB 3.44Å; D311-E314 PolarHBondContact O-N 3.45Å; D311-E314 VanDerWaalsContact O-N 3.11Å; E314-A316 PolarHBondContact O-N 2.72Å; E314-A316 VanDerWaalsContact O-N 3.08Å; E314-V317 WeakPolarHBondContact O-CA 3.4Å; E314-V317 WeakPolarHBondContact O-CB 3.42Å; E314-V317 PolarHBondContact O-N 3.46Å; E314-E318 PolarHBondContact O-N 3.17Å |
| 315 | N | 96.4 | Very high | 96.1 | Very high | 41 Ų | 41 | 64 Ų | 64 | 22% | 0.219 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -52.4 | -33.7 | 171.3 | -78 | -100.2 | 0 | 0 | 0 | 112.5 | D311 N319 | D311-N315 PolarHBondContact O-N 3.22Å; D311-N315 PolarHBondContact O-ND2 3.14Å; D311-N315 PolarHBondContact OD1-ND2 2.81Å; D311-N315 PolarHBondContact OD2-ND2 3.08Å; N315-N319 WeakPolarHBondContact O-CB 3.3Å; N315-N319 PolarHBondContact O-N 3.43Å; N315-N319 PolarHBondContact O-ND2 2.83Å |
| 316 | A | 95 | Very high | 95.9 | Very high | 7 Ų | 7 | 68.7 Ų | 68.7 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -78.2 | -31 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C98 L101 I313 E314 N319 | C98-A316 VanDerWaalsContact SG-C 3.55Å; C98-A316 PolarHBondContact SG-O 3.18Å; L101-A316 HydrophobicContact CD1-CB 3.53Å; I313-A316 CarbonylContact O-C 3.58Å; I313-A316 WeakPolarHBondContact O-CA 3.36Å; I313-A316 WeakPolarHBondContact O-CB 3.38Å; I313-A316 PolarHBondContact O-N 2.91Å; I313-A316 VanDerWaalsContact O-N 3.08Å; E314-A316 PolarHBondContact O-N 2.72Å; E314-A316 VanDerWaalsContact O-N 3.08Å; A316-N319 PolarHBondContact O-N 2.94Å |
| 317 | V | 96.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 71.4 Ų | 71.4 | 47% | 0.473 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.5 | -40 | 173.5 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | I313 E314 N319 L320 | I313-V317 HydrophobicContact CG2-CG2 4.37Å; I313-V317 WeakPolarHBondContact O-CG2 3.49Å; I313-V317 PolarHBondContact O-N 2.84Å; E314-V317 WeakPolarHBondContact O-CA 3.4Å; E314-V317 WeakPolarHBondContact O-CB 3.42Å; E314-V317 PolarHBondContact O-N 3.46Å; V317-N319 PolarHBondContact O-N 2.57Å; V317-L320 HydrophobicContact CB-CD1 4.48Å; V317-L320 HydrophobicContact CG1-CD1 4.16Å; V317-L320 VanDerWaalsContact O-CB 3.27Å; V317-L320 WeakPolarHBondContact O-CB 3.4Å; V317-L320 WeakPolarHBondContact O-CD1 3.08Å; V317-L320 VanDerWaalsContact O-CG 3.23Å; V317-L320 WeakPolarHBondContact O-CG 3.34Å; V317-L320 PolarHBondContact O-N 3.01Å |
| 318 | E | 96.2 | Very high | 95.2 | Very high | 137 Ų | 137 | 68.3 Ų | 68.3 | 64% | 0.64 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.4 | -35.6 | 170.6 | -66.4 | -179.6 | 149.4 | 0 | 0 | 111.9 | E314 L320 | E314-E318 PolarHBondContact O-N 3.17Å; E318-L320 PolarHBondContact O-N 2.88Å; E318-L320 VanDerWaalsContact O-N 3.17Å |
| 319 | N | 94.6 | Very high | 94.8 | Very high | 81 Ų | 81 | 67.5 Ų | 67.5 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 17.5 | 177.7 | -87.2 | -93.1 | 0 | 0 | 0 | 114.9 | S94 N315 A316 V317 D321 | S94-N319 VanDerWaalsContact CB-O 3.29Å; S94-N319 WeakPolarHBondContact CB-O 3.31Å; N315-N319 WeakPolarHBondContact O-CB 3.3Å; N315-N319 PolarHBondContact O-N 3.43Å; N315-N319 PolarHBondContact O-ND2 2.83Å; A316-N319 PolarHBondContact O-N 2.94Å; V317-N319 PolarHBondContact O-N 2.57Å; N319-D321 PolarHBondContact O-N 3.39Å |
| 320 | L | 95.7 | Very high | 94.7 | Very high | 85 Ų | 85 | 71.4 Ų | 71.4 | 45% | 0.445 | 38% | 0.382 | S | S | . | . | trans | -77.5 | 76.8 | 176.4 | -75.6 | 172.3 | 0 | 0 | 0 | 113.2 | P95 V317 E318 | P95-L320 HydrophobicContact CB-CD2 4.28Å; P95-L320 HydrophobicContact CG-CD2 4.01Å; V317-L320 HydrophobicContact CB-CD1 4.48Å; V317-L320 HydrophobicContact CG1-CD1 4.16Å; V317-L320 VanDerWaalsContact O-CB 3.27Å; V317-L320 WeakPolarHBondContact O-CB 3.4Å; V317-L320 WeakPolarHBondContact O-CD1 3.08Å; V317-L320 VanDerWaalsContact O-CG 3.23Å; V317-L320 WeakPolarHBondContact O-CG 3.34Å; V317-L320 PolarHBondContact O-N 3.01Å; E318-L320 PolarHBondContact O-N 2.88Å; E318-L320 VanDerWaalsContact O-N 3.17Å | ||
| 321 | D | 93.9 | Very high | 94.3 | Very high | 63 Ų | 63 | 72.5 Ų | 72.5 | 34% | 0.337 | 39% | 0.385 | S | S | . | . | trans | -102.5 | 107.9 | 178.1 | 179.2 | 21.8 | 0 | 0 | 0 | 114.2 | N319 T323 S324 D325 | N319-D321 PolarHBondContact O-N 3.39Å; D321-T323 VanDerWaalsContact CG-OG1 3.27Å; D321-T323 PolarHBondContact O-N 3.09Å; D321-T323 WeakPolarHBondContact OD1-CA 3.49Å; D321-T323 WeakPolarHBondContact OD1-CB 3.41Å; D321-T323 PolarHBondContact OD1-N 3.31Å; D321-T323 PolarHBondContact OD1-OG1 3.48Å; D321-T323 PolarHBondContact OD2-OG1 3.26Å; D321-S324 WeakPolarHBondContact OD2-CA 3.47Å; D321-S324 WeakPolarHBondContact OD2-CB 3.31Å; D321-S324 PolarHBondContact OD2-N 3.14Å; D321-D325 WeakPolarHBondContact O-CB 3.3Å; D321-D325 PolarHBondContact O-N 3.21Å | ||
| 322 | A | 93.6 | Very high | 93.7 | Very high | 81 Ų | 81 | 71.7 Ų | 71.7 | 67% | 0.669 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.7 | -21.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | K326 | A322-K326 WeakPolarHBondContact O-CB 3.42Å; A322-K326 PolarHBondContact O-N 3.46Å; A322-K326 VanDerWaalsContact O-N 3.08Å |
| 323 | T | 93.7 | Very high | 93.4 | Very high | 83 Ų | 83 | 75.3 Ų | 75.3 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -82.5 | -45.3 | 179.3 | 75.6 | 0 | 0 | 0 | 0 | 112.2 | D321 K326 Q327 | D321-T323 VanDerWaalsContact CG-OG1 3.27Å; D321-T323 PolarHBondContact O-N 3.09Å; D321-T323 WeakPolarHBondContact OD1-CA 3.49Å; D321-T323 WeakPolarHBondContact OD1-CB 3.41Å; D321-T323 PolarHBondContact OD1-N 3.31Å; D321-T323 PolarHBondContact OD1-OG1 3.48Å; D321-T323 PolarHBondContact OD2-OG1 3.26Å; T323-K326 WeakPolarHBondContact O-CB 3.22Å; T323-K326 PolarHBondContact O-N 3.15Å; T323-Q327 PolarHBondContact O-N 2.89Å |
| 324 | S | 93 | Very high | 93.1 | Very high | 34 Ų | 34 | 78.5 Ų | 78.5 | 24% | 0.238 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 169.3 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | D321 Q327 R328 | D321-S324 WeakPolarHBondContact OD2-CA 3.47Å; D321-S324 WeakPolarHBondContact OD2-CB 3.31Å; D321-S324 PolarHBondContact OD2-N 3.14Å; S324-Q327 WeakPolarHBondContact O-CB 3.45Å; S324-Q327 PolarHBondContact O-N 3.46Å; S324-R328 PolarHBondContact O-N 3.22Å; S324-R328 VanDerWaalsContact OG-CZ 3.25Å; S324-R328 PolarHBondContact OG-NH1 3.49Å; S324-R328 PolarHBondContact OG-NH2 2.7Å |
| 325 | D | 94.4 | Very high | 92.8 | Very high | 18 Ų | 18 | 80 Ų | 80 | 10% | 0.096 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 174.4 | -82.5 | -13.9 | 0 | 0 | 0 | 113.3 | L93 S94 P95 D321 Q327 R328 L329 | L93-D325 VanDerWaalsContact CA-OD1 3.29Å; L93-D325 WeakPolarHBondContact CA-OD1 3.28Å; L93-D325 HydrophobicContact CD2-CB 4.02Å; S94-D325 WeakPolarHBondContact CB-OD2 3.32Å; S94-D325 VanDerWaalsContact N-CG 3.33Å; S94-D325 PolarHBondContact N-OD1 3.1Å; S94-D325 PolarHBondContact N-OD2 2.94Å; S94-D325 PolarHBondContact OG-OD2 2.98Å; P95-D325 WeakPolarHBondContact CD-OD2 3.41Å; D321-D325 WeakPolarHBondContact O-CB 3.3Å; D321-D325 PolarHBondContact O-N 3.21Å; D325-Q327 VanDerWaalsContact C-N 3.33Å; D325-R328 PolarHBondContact O-N 3.36Å; D325-R328 IonicContact OD1-CZ 2.73Å; D325-R328 VanDerWaalsContact OD1-CZ 3.26Å; D325-R328 IonicContact OD1-NE 2.78Å; D325-R328 PolarHBondContact OD1-NE 2.93Å; D325-R328 IonicContact OD1-NH2 2.65Å; D325-R328 PolarHBondContact OD1-NH2 3.35Å; D325-L329 VanDerWaalsContact O-CB 3.26Å; D325-L329 WeakPolarHBondContact O-CB 3.28Å; D325-L329 PolarHBondContact O-N 2.89Å |
| 326 | K | 93.7 | Very high | 92.7 | Very high | 116 Ų | 116 | 83 Ų | 83 | 50% | 0.504 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 170 | 172.6 | -157.7 | 72.9 | -160.9 | 0 | 111.2 | A322 T323 L329 M330 | A322-K326 WeakPolarHBondContact O-CB 3.42Å; A322-K326 PolarHBondContact O-N 3.46Å; A322-K326 VanDerWaalsContact O-N 3.08Å; T323-K326 WeakPolarHBondContact O-CB 3.22Å; T323-K326 PolarHBondContact O-N 3.15Å; K326-L329 PolarHBondContact O-N 3.08Å; K326-M330 HydrophobicContact CG-SD 4.31Å; K326-M330 WeakPolarHBondContact O-CG 3.39Å; K326-M330 PolarHBondContact O-N 3.27Å |
| 327 | Q | 92.1 | Very high | 92.6 | Very high | 111 Ų | 111 | 87.4 Ų | 87.4 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.3 | -51.8 | 175 | 176.8 | 171.4 | -15.1 | 0 | 0 | 111.3 | T323 S324 D325 L329 M330 E331 | T323-Q327 PolarHBondContact O-N 2.89Å; S324-Q327 WeakPolarHBondContact O-CB 3.45Å; S324-Q327 PolarHBondContact O-N 3.46Å; D325-Q327 VanDerWaalsContact C-N 3.33Å; Q327-L329 VanDerWaalsContact C-N 3.26Å; Q327-L329 PolarHBondContact O-N 2.97Å; Q327-M330 PolarHBondContact O-N 3.2Å; Q327-E331 HydrophobicContact CG-CG 4.3Å; Q327-E331 VanDerWaalsContact CG-OE1 3.23Å; Q327-E331 WeakPolarHBondContact CG-OE1 3.43Å; Q327-E331 PolarHBondContact NE2-OE1 3.37Å; Q327-E331 WeakPolarHBondContact O-CG 3.28Å; Q327-E331 PolarHBondContact O-N 3.31Å |
| 328 | R | 89.3 | Confident | 92.4 | Very high | 60 Ų | 60 | 86.7 Ų | 86.7 | 23% | 0.226 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -51.9 | -43.5 | 173.8 | -80.7 | -173.1 | -82.6 | -94.4 | 2.2 | 112.1 | N91 L93 S324 D325 M332 | N91-R328 WeakPolarHBondContact OD1-CB 3.37Å; L93-R328 HydrophobicContact CD2-CB 4.1Å; S324-R328 PolarHBondContact O-N 3.22Å; S324-R328 VanDerWaalsContact OG-CZ 3.25Å; S324-R328 PolarHBondContact OG-NH1 3.49Å; S324-R328 PolarHBondContact OG-NH2 2.7Å; D325-R328 PolarHBondContact O-N 3.36Å; D325-R328 IonicContact OD1-CZ 2.73Å; D325-R328 VanDerWaalsContact OD1-CZ 3.26Å; D325-R328 IonicContact OD1-NE 2.78Å; D325-R328 PolarHBondContact OD1-NE 2.93Å; D325-R328 IonicContact OD1-NH2 2.65Å; D325-R328 PolarHBondContact OD1-NH2 3.35Å; R328-M332 WeakPolarHBondContact O-CB 3.2Å; R328-M332 PolarHBondContact O-N 3.03Å |
| 329 | L | 89.8 | Confident | 92.3 | Very high | 71 Ų | 71 | 85.7 Ų | 85.7 | 37% | 0.372 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 175.6 | -177.1 | 72.2 | 0 | 0 | 0 | 112.3 | D325 K326 Q327 M332 Y333 | D325-L329 VanDerWaalsContact O-CB 3.26Å; D325-L329 WeakPolarHBondContact O-CB 3.28Å; D325-L329 PolarHBondContact O-N 2.89Å; K326-L329 PolarHBondContact O-N 3.08Å; Q327-L329 VanDerWaalsContact C-N 3.26Å; Q327-L329 PolarHBondContact O-N 2.97Å; L329-M332 HydrophobicContact CD1-CE 4.12Å; L329-Y333 HydrophobicContact CD1-CD2 3.75Å; L329-Y333 HydrophobicContact CD1-CE2 3.83Å; L329-Y333 HydrophobicContact CG-CD2 4.44Å; L329-Y333 WeakPolarHBondContact O-CD2 3.32Å; L329-Y333 PolarHBondContact O-N 2.83Å |
| 330 | M | 92.6 | Very high | 92.2 | Very high | 86 Ų | 86 | 87.3 Ų | 87.3 | 42% | 0.424 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 179.2 | -73.4 | -179.9 | 67.9 | 0 | 0 | 112.7 | K326 Q327 Y333 N334 F337 | K326-M330 HydrophobicContact CG-SD 4.31Å; K326-M330 WeakPolarHBondContact O-CG 3.39Å; K326-M330 PolarHBondContact O-N 3.27Å; Q327-M330 PolarHBondContact O-N 3.2Å; M330-Y333 CarbonylContact O-C 3.4Å; M330-N334 WeakPolarHBondContact O-CA 3.45Å; M330-N334 PolarHBondContact O-N 2.98Å; M330-F337 HydrophobicContact CB-CD2 4.25Å; M330-F337 HydrophobicContact CE-CB 4.22Å; M330-F337 HydrophobicContact CG-CD2 4.02Å; M330-F337 HydrophobicContact CG-CE2 4.32Å; M330-F337 HydrophobicContact CG-CG 4.15Å |
| 331 | E | 89.1 | Confident | 92 | Very high | 107 Ų | 107 | 91.9 Ų | 91.9 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.6 | -47.6 | 175 | -70.7 | 172.5 | -179.4 | 0 | 0 | 111.8 | Q327 Y333 N334 | Q327-E331 HydrophobicContact CG-CG 4.3Å; Q327-E331 VanDerWaalsContact CG-OE1 3.23Å; Q327-E331 WeakPolarHBondContact CG-OE1 3.43Å; Q327-E331 PolarHBondContact NE2-OE1 3.37Å; Q327-E331 WeakPolarHBondContact O-CG 3.28Å; Q327-E331 PolarHBondContact O-N 3.31Å; E331-Y333 PolarHBondContact O-N 2.9Å; E331-N334 WeakPolarHBondContact O-CB 3.28Å; E331-N334 PolarHBondContact O-N 3.36Å |
| 332 | M | 87.2 | Confident | 92 | Very high | 60 Ų | 60 | 96.1 Ų | 96.1 | 30% | 0.296 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.8 | -38.3 | 175.6 | 169.3 | 172.5 | 33 | 0 | 0 | 112.2 | F86 R328 L329 | F86-M332 HydrophobicContact CE1-SD 3.48Å; F86-M332 WeakPolarHBondContact CE1-SD 3.33Å; F86-M332 HydrophobicContact CZ-SD 3.56Å; F86-M332 VanDerWaalsContact CZ-SD 3.56Å; R328-M332 WeakPolarHBondContact O-CB 3.2Å; R328-M332 PolarHBondContact O-N 3.03Å; L329-M332 HydrophobicContact CD1-CE 4.12Å |
| 333 | Y | 88.8 | Confident | 92 | Very high | 113 Ų | 113 | 101.6 Ų | 101.6 | 44% | 0.443 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 37.1 | 178 | -63.8 | -74.7 | 0 | 0 | 0 | 112.4 | L329 M330 E331 N335 V336 F337 | L329-Y333 HydrophobicContact CD1-CD2 3.75Å; L329-Y333 HydrophobicContact CD1-CE2 3.83Å; L329-Y333 HydrophobicContact CG-CD2 4.44Å; L329-Y333 WeakPolarHBondContact O-CD2 3.32Å; L329-Y333 PolarHBondContact O-N 2.83Å; M330-Y333 CarbonylContact O-C 3.4Å; E331-Y333 PolarHBondContact O-N 2.9Å; Y333-N335 VanDerWaalsContact C-N 3.25Å; Y333-N335 PolarHBondContact O-N 3.29Å; Y333-N335 VanDerWaalsContact O-N 3.11Å; Y333-V336 WeakPolarHBondContact O-CA 3.43Å; Y333-V336 VanDerWaalsContact O-CB 3.31Å; Y333-V336 WeakPolarHBondContact O-CB 3.39Å; Y333-V336 PolarHBondContact O-N 3.25Å; Y333-F337 WeakPolarHBondContact O-CD2 3.39Å; Y333-F337 PolarHBondContact O-N 2.83Å |
| 334 | N | 90.6 | Very high | 92.1 | Very high | 95 Ų | 95 | 103 Ų | 103 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -47.7 | -45.7 | -177.2 | -174.9 | 1.1 | 0 | 0 | 0 | 112.7 | M330 E331 V336 F337 C338 | M330-N334 WeakPolarHBondContact O-CA 3.45Å; M330-N334 PolarHBondContact O-N 2.98Å; E331-N334 WeakPolarHBondContact O-CB 3.28Å; E331-N334 PolarHBondContact O-N 3.36Å; N334-V336 PolarHBondContact O-N 2.88Å; N334-F337 PolarHBondContact O-N 3.11Å; N334-C338 WeakPolarHBondContact O-CB 3.5Å; N334-C338 PolarHBondContact O-N 3.12Å |
| 335 | N | 92.3 | Very high | 92.1 | Very high | 152 Ų | 152 | 107 Ų | 107 | 81% | 0.813 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.1 | -12.6 | 178.2 | -61 | -6.8 | 0 | 0 | 0 | 115.2 | Y333 | Y333-N335 VanDerWaalsContact C-N 3.25Å; Y333-N335 PolarHBondContact O-N 3.29Å; Y333-N335 VanDerWaalsContact O-N 3.11Å |
| 336 | V | 94.4 | Very high | 92.1 | Very high | 105 Ų | 105 | 113.1 Ų | 113.1 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -96.4 | -30.8 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | Y333 N334 | Y333-V336 WeakPolarHBondContact O-CA 3.43Å; Y333-V336 VanDerWaalsContact O-CB 3.31Å; Y333-V336 WeakPolarHBondContact O-CB 3.39Å; Y333-V336 PolarHBondContact O-N 3.25Å; N334-V336 PolarHBondContact O-N 2.88Å |
| 337 | F | 93.3 | Very high | 92 | Very high | 99 Ų | 99 | 111 Ų | 111 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -107.5 | -9.8 | -173.7 | -63.5 | -68.9 | 0 | 0 | 0 | 114.3 | M330 Y333 N334 | M330-F337 HydrophobicContact CB-CD2 4.25Å; M330-F337 HydrophobicContact CE-CB 4.22Å; M330-F337 HydrophobicContact CG-CD2 4.02Å; M330-F337 HydrophobicContact CG-CE2 4.32Å; M330-F337 HydrophobicContact CG-CG 4.15Å; Y333-F337 WeakPolarHBondContact O-CD2 3.39Å; Y333-F337 PolarHBondContact O-N 2.83Å; N334-F337 PolarHBondContact O-N 3.11Å |
| 338 | C | 92.8 | Very high | 92 | Very high | 63 Ų | 63 | 113 Ų | 113 | 43% | 0.426 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -61.5 | 132.7 | 178.3 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | N334 | N334-C338 WeakPolarHBondContact O-CB 3.5Å; N334-C338 PolarHBondContact O-N 3.12Å |
| 339 | P | 93 | Very high | 92 | Very high | 117 Ų | 117 | 118.4 Ų | 118.4 | 76% | 0.76 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 139.9 | -179.1 | 27.3 | -34.2 | 0 | 0 | 0 | 111.1 | ||
| 340 | P | 92.2 | Very high | 91.9 | Very high | 114 Ų | 114 | 117.9 Ų | 117.9 | 74% | 0.74 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 160.1 | 174.5 | 30.1 | -35.7 | 0 | 0 | 0 | 111.2 | ||
| 341 | M | 92.3 | Very high | 92 | Very high | 181 Ų | 181 | 117.7 Ų | 117.7 | 89% | 0.892 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 141.5 | 173.6 | -70.9 | -173.8 | 173.6 | 0 | 0 | 111.5 | ||
| 342 | K | 94.2 | Very high | 91.9 | Very high | 152 Ų | 152 | 121 Ų | 121 | 66% | 0.661 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 135.1 | 176.6 | 175.1 | 173.4 | 170.2 | -69.9 | 0 | 110.4 | E344 | K342-E344 WeakPolarHBondContact CD-OE1 3.43Å; K342-E344 IonicContact NZ-OE1 3.54Å; K342-E344 PolarHBondContact NZ-OE1 3.35Å; K342-E344 IonicContact NZ-OE2 2.71Å; K342-E344 PolarHBondContact NZ-OE2 3.04Å; K342-E344 PolarHBondContact O-N 2.91Å |
| 343 | F | 94.1 | Very high | 91.9 | Very high | 196 Ų | 196 | 120.8 Ų | 120.8 | 86% | 0.86 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 125.8 | 170 | -59.3 | -72 | 0 | 0 | 0 | 110.2 | ||
| 344 | E | 94.4 | Very high | 91.8 | Very high | 113 Ų | 113 | 119.6 Ų | 119.6 | 53% | 0.528 | 64% | 0.642 | S | S | . | * | trans | -105.9 | 151.2 | 173.6 | -60.7 | -55.7 | 157.9 | 0 | 0 | 111.4 | K342 Q346 | K342-E344 WeakPolarHBondContact CD-OE1 3.43Å; K342-E344 IonicContact NZ-OE1 3.54Å; K342-E344 PolarHBondContact NZ-OE1 3.35Å; K342-E344 IonicContact NZ-OE2 2.71Å; K342-E344 PolarHBondContact NZ-OE2 3.04Å; K342-E344 PolarHBondContact O-N 2.91Å; E344-Q346 PolarHBondContact O-N 3.31Å; E344-Q346 PolarHBondContact O-NE2 3.48Å | ||
| 345 | F | 93.1 | Very high | 91.7 | Very high | 119 Ų | 119 | 123.1 Ų | 123.1 | 52% | 0.522 | 66% | 0.655 | S | S | . | * | trans | -57.9 | 132.7 | 173.8 | 174.4 | -101 | 0 | 0 | 0 | 110.6 | P347 A353 | F345-P347 HydrophobicContact CD1-CG 4.14Å; F345-P347 HydrophobicContact CE1-CB 4.25Å; F345-P347 HydrophobicContact CE1-CG 3.99Å; F345-P347 WeakPolarHBondContact O-CD 3.43Å; F345-A353 WeakPolarHBondContact CE1-O 3.49Å | ||
| 346 | Q | 94 | Very high | 91.7 | Very high | 145 Ų | 145 | 119.1 Ų | 119.1 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | trans | -107.2 | 107.7 | -179.8 | -59.6 | -56.1 | -59.5 | 0 | 0 | 109.1 | E344 H348 | E344-Q346 PolarHBondContact O-N 3.31Å; E344-Q346 PolarHBondContact O-NE2 3.48Å; Q346-H348 PolarHBondContact O-N 2.93Å | ||
| 347 | P | 92.6 | Very high | 91.4 | Very high | 73 Ų | 73 | 117.8 Ų | 117.8 | 47% | 0.474 | 63% | 0.628 | S | S | . | * | trans | -62.8 | 116.4 | 179.7 | -23.7 | 34.7 | 0 | 0 | 0 | 111.9 | F345 D351 | F345-P347 HydrophobicContact CD1-CG 4.14Å; F345-P347 HydrophobicContact CE1-CB 4.25Å; F345-P347 HydrophobicContact CE1-CG 3.99Å; F345-P347 WeakPolarHBondContact O-CD 3.43Å; P347-D351 HydrophobicContact CB-CB 4.43Å; P347-D351 WeakPolarHBondContact CB-O 3.44Å | ||
| 348 | H | 92.4 | Very high | 91.1 | Very high | 152 Ų | 152 | 113.8 Ų | 113.8 | 70% | 0.704 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -78.4 | 128.3 | 178.3 | 179.1 | -99.8 | 0 | 0 | 0 | 110.2 | Q346 G350 D351 | Q346-H348 PolarHBondContact O-N 2.93Å; H348-G350 PolarHBondContact O-N 3.4Å; H348-G350 VanDerWaalsContact O-N 3.09Å; H348-D351 WeakPolarHBondContact O-CB 3.39Å; H348-D351 PolarHBondContact O-N 2.92Å; H348-D351 VanDerWaalsContact O-N 3.08Å |
| 349 | M | 88.4 | Confident | 90.9 | Very high | 174 Ų | 174 | 117.7 Ų | 117.7 | 86% | 0.857 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | 53.9 | 28.2 | 176.8 | -65.2 | -68 | -70.3 | 0 | 0 | 115.2 | ||
| 350 | G | 89 | Confident | 90.6 | Very high | 59 Ų | 59 | 118.4 Ų | 118.4 | 61% | 0.608 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | 80.5 | 26 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H348 M352 | H348-G350 PolarHBondContact O-N 3.4Å; H348-G350 VanDerWaalsContact O-N 3.09Å; G350-M352 PolarHBondContact O-N 2.73Å |
| 351 | D | 93.8 | Very high | 90.3 | Very high | 83 Ų | 83 | 117.4 Ų | 117.4 | 44% | 0.444 | 61% | 0.612 | S | S | . | * | trans | -51.5 | 126.8 | 172.3 | -169.3 | -2.2 | 0 | 0 | 0 | 111.7 | P347 H348 A353 | P347-D351 HydrophobicContact CB-CB 4.43Å; P347-D351 WeakPolarHBondContact CB-O 3.44Å; H348-D351 WeakPolarHBondContact O-CB 3.39Å; H348-D351 PolarHBondContact O-N 2.92Å; H348-D351 VanDerWaalsContact O-N 3.08Å; D351-A353 WeakPolarHBondContact OD1-CB 3.32Å; D351-A353 PolarHBondContact OD1-N 3.45Å | ||
| 352 | M | 87.4 | Confident | 90.3 | Very high | 177 Ų | 177 | 111.7 Ų | 111.7 | 87% | 0.872 | 59% | 0.587 | S | S | * | * | trans | -84.3 | -13.8 | 179.2 | -61.6 | -65.1 | -68.4 | 0 | 0 | 112 | G350 | G350-M352 PolarHBondContact O-N 2.73Š| ||
| 353 | A | 86.9 | Confident | 90.1 | Very high | 54 Ų | 54 | 106.7 Ų | 106.7 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | trans | -80.2 | 121.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | F345 D351 | F345-A353 WeakPolarHBondContact CE1-O 3.49Å; D351-A353 WeakPolarHBondContact OD1-CB 3.32Å; D351-A353 PolarHBondContact OD1-N 3.45Å | ||
| 354 | S | 86.7 | Confident | 89.8 | Confident | 88 Ų | 88 | 100.4 Ų | 100.4 | 62% | 0.615 | 55% | 0.546 | S | S | * | . | trans | -123.4 | 8 | 177.1 | 51.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 355 | Q | 89.3 | Confident | 89.8 | Confident | 170 Ų | 170 | 101.1 Ų | 101.1 | 79% | 0.794 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -143.4 | 165.1 | -173.3 | -58.5 | -174.2 | 10 | 0 | 0 | 110.2 | C357 | Q355-C357 PolarHBondContact O-N 2.68Š|
| 356 | L | 90.7 | Very high | 89.7 | Confident | 68 Ų | 68 | 97.2 Ų | 97.2 | 36% | 0.356 | 53% | 0.534 | S | S | . | . | trans | -66.3 | 128.7 | 177.8 | -69 | -178.4 | 0 | 0 | 0 | 111.4 | A358 L473 L474 T477 | L356-A358 PolarHBondContact O-N 3.08Å; L356-L473 HydrophobicContact CD1-CD2 4.07Å; L356-L473 HydrophobicContact CD1-CG 3.8Å; L356-L473 HydrophobicContact CG-CD2 4.25Å; L356-L473 HydrophobicContact CG-CG 4.28Å; L356-L474 HydrophobicContact CD1-CD2 3.83Å; L356-L474 HydrophobicContact CD1-CG 4.32Å; L356-T477 HydrophobicContact CB-CG2 4.02Å; L356-T477 WeakPolarHBondContact O-CG2 3.22Å | ||
| 357 | C | 89.6 | Confident | 89.7 | Confident | 77 Ų | 77 | 93.1 Ų | 93.1 | 52% | 0.52 | 52% | 0.519 | S | S | . | . | trans | -80.7 | 115.3 | 168.4 | -174.9 | 0 | 0 | 0 | 0 | 110 | Q355 L366 | Q355-C357 PolarHBondContact O-N 2.68Å; C357-L366 WeakPolarHBondContact O-CD1 3.48Å | ||
| 358 | A | 87.3 | Confident | 89.7 | Confident | 15 Ų | 15 | 96.3 Ų | 96.3 | 12% | 0.124 | 53% | 0.527 | C | S | . | . | trans | -112.9 | 37.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L356 Q363 L366 T477 L478 | L356-A358 PolarHBondContact O-N 3.08Å; A358-Q363 VanDerWaalsContact O-CB 3.31Å; A358-Q363 WeakPolarHBondContact O-CB 3.4Å; A358-Q363 VanDerWaalsContact O-CD 3.3Å; A358-Q363 WeakPolarHBondContact O-CG 3.37Å; A358-Q363 PolarHBondContact O-NE2 3.12Å; A358-L366 HydrophobicContact CB-CD1 4.31Å; A358-T477 HydrophobicContact CB-CG2 3.63Å; A358-L478 HydrophobicContact CB-CD2 4Å | ||
| 359 | Q | 87 | Confident | 89.9 | Confident | 145 Ų | 145 | 96.5 Ų | 96.5 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | trans | -86.7 | 164.4 | 173 | -62.8 | -177.2 | 0.8 | 0 | 0 | 111.1 | V362 Q363 | Q359-V362 WeakPolarHBondContact O-CG2 3.24Å; Q359-V362 PolarHBondContact O-N 3.17Å; Q359-V362 VanDerWaalsContact O-N 3.17Å; Q359-Q363 PolarHBondContact O-N 3.11Å | ||
| 360 | Q | 87.9 | Confident | 90.1 | Very high | 131 Ų | 131 | 88.5 Ų | 88.5 | 61% | 0.612 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 142.5 | 174.1 | -70.1 | -68.4 | -24.8 | 0 | 0 | 110.7 | ||
| 361 | P | 85.7 | Confident | 90.3 | Very high | 93 Ų | 93 | 91.9 Ų | 91.9 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -83 | -21.9 | 5 | 32.7 | -35.8 | 0 | 0 | 0 | 114.7 | Q363 S364 | P361-Q363 PolarHBondContact O-N 3.2Å; P361-Q363 VanDerWaalsContact O-N 3.1Å; P361-S364 PolarHBondContact O-N 3.17Å; P361-S364 VanDerWaalsContact O-N 3.15Å; P361-S364 PolarHBondContact O-OG 3.47Å |
| 362 | V | 91 | Very high | 90.4 | Very high | 61 Ų | 61 | 94.1 Ų | 94.1 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -25.6 | -166.9 | -62.3 | 0 | 0 | 0 | 0 | 114.1 | Q359 S364 E365 L366 | Q359-V362 WeakPolarHBondContact O-CG2 3.24Å; Q359-V362 PolarHBondContact O-N 3.17Å; Q359-V362 VanDerWaalsContact O-N 3.17Å; V362-S364 PolarHBondContact O-N 3.04Å; V362-S364 VanDerWaalsContact O-N 3.13Å; V362-E365 PolarHBondContact O-N 3.38Å; V362-L366 WeakPolarHBondContact O-CG 3.39Å; V362-L366 PolarHBondContact O-N 3.37Å |
| 363 | Q | 90.2 | Very high | 90.8 | Very high | 47 Ų | 47 | 86.6 Ų | 86.6 | 22% | 0.22 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -47.8 | -40.1 | 173.6 | -166.3 | -178.5 | 39.5 | 0 | 0 | 112.9 | A358 Q359 P361 L366 V367 L478 S481 | A358-Q363 VanDerWaalsContact O-CB 3.31Å; A358-Q363 WeakPolarHBondContact O-CB 3.4Å; A358-Q363 VanDerWaalsContact O-CD 3.3Å; A358-Q363 WeakPolarHBondContact O-CG 3.37Å; A358-Q363 PolarHBondContact O-NE2 3.12Å; Q359-Q363 PolarHBondContact O-N 3.11Å; P361-Q363 PolarHBondContact O-N 3.2Å; P361-Q363 VanDerWaalsContact O-N 3.1Å; Q363-L366 PolarHBondContact O-N 3.08Å; Q363-V367 WeakPolarHBondContact O-CG2 3.37Å; Q363-V367 PolarHBondContact O-N 2.89Å; Q363-L478 HydrophobicContact CG-CD2 4.26Å; Q363-S481 PolarHBondContact NE2-OG 3.04Å |
| 364 | S | 88.5 | Confident | 91.3 | Very high | 64 Ų | 64 | 88 Ų | 88 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | -179.2 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | P361 V362 L366 V367 Q368 | P361-S364 PolarHBondContact O-N 3.17Å; P361-S364 VanDerWaalsContact O-N 3.15Å; P361-S364 PolarHBondContact O-OG 3.47Å; V362-S364 PolarHBondContact O-N 3.04Å; V362-S364 VanDerWaalsContact O-N 3.13Å; S364-L366 VanDerWaalsContact C-N 3.33Å; S364-L366 PolarHBondContact O-N 2.86Å; S364-V367 PolarHBondContact O-N 3.34Å; S364-Q368 PolarHBondContact O-N 2.92Å; S364-Q368 VanDerWaalsContact O-N 3.1Å |
| 365 | E | 93.5 | Very high | 91.7 | Very high | 128 Ų | 128 | 87.3 Ų | 87.3 | 60% | 0.598 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 175.1 | -64.3 | 179.5 | -141 | 0 | 0 | 111.8 | V362 Q368 R369 | V362-E365 PolarHBondContact O-N 3.38Å; E365-Q368 PolarHBondContact O-N 3.32Å; E365-R369 VanDerWaalsContact O-CB 3.22Å; E365-R369 WeakPolarHBondContact O-CB 3.5Å; E365-R369 PolarHBondContact O-N 3.37Å |
| 366 | L | 92.8 | Very high | 92.1 | Very high | 37 Ų | 37 | 85.8 Ų | 85.8 | 19% | 0.194 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 178 | -64.4 | -178.1 | 0 | 0 | 0 | 111.9 | C357 A358 V362 Q363 S364 R369 C370 L474 L478 | C357-L366 WeakPolarHBondContact O-CD1 3.48Å; A358-L366 HydrophobicContact CB-CD1 4.31Å; V362-L366 WeakPolarHBondContact O-CG 3.39Å; V362-L366 PolarHBondContact O-N 3.37Å; Q363-L366 PolarHBondContact O-N 3.08Å; S364-L366 VanDerWaalsContact C-N 3.33Å; S364-L366 PolarHBondContact O-N 2.86Å; L366-R369 PolarHBondContact O-N 3.39Å; L366-C370 WeakPolarHBondContact O-CB 3.42Å; L366-C370 PolarHBondContact O-N 2.9Å; L366-L474 HydrophobicContact CB-CD2 4.19Å; L366-L474 HydrophobicContact CD2-CD2 3.79Å; L366-L474 HydrophobicContact CG-CD2 4.39Å; L366-L478 HydrophobicContact CB-CD1 4.2Å; L366-L478 HydrophobicContact CB-CD2 4.16Å; L366-L478 WeakPolarHBondContact O-CD1 3.28Å |
| 367 | V | 92.5 | Very high | 92.4 | Very high | 59 Ų | 59 | 82.6 Ų | 82.6 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 173.7 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | Q363 S364 R369 C370 Q371 L478 | Q363-V367 WeakPolarHBondContact O-CG2 3.37Å; Q363-V367 PolarHBondContact O-N 2.89Å; S364-V367 PolarHBondContact O-N 3.34Å; V367-R369 VanDerWaalsContact C-N 3.26Å; V367-R369 PolarHBondContact O-N 3.33Å; V367-C370 PolarHBondContact O-N 3.45Å; V367-Q371 WeakPolarHBondContact O-CG 3.48Å; V367-Q371 PolarHBondContact O-N 3.23Å; V367-L478 HydrophobicContact CG2-CD1 4.09Å; V367-L478 HydrophobicContact CG2-CD2 3.88Å; V367-L478 HydrophobicContact CG2-CG 4.47Å |
| 368 | Q | 93.4 | Very high | 92.8 | Very high | 140 Ų | 140 | 81.5 Ų | 81.5 | 65% | 0.654 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.1 | -40.3 | 177.8 | -170.1 | -177.7 | 17 | 0 | 0 | 111.4 | S364 E365 Q371 Q372 | S364-Q368 PolarHBondContact O-N 2.92Å; S364-Q368 VanDerWaalsContact O-N 3.1Å; E365-Q368 PolarHBondContact O-N 3.32Å; Q368-Q371 PolarHBondContact O-N 3.07Å; Q368-Q372 WeakPolarHBondContact O-CB 3.26Å; Q368-Q372 PolarHBondContact O-N 3.49Å |
| 369 | R | 95.4 | Very high | 93.3 | Very high | 157 Ų | 157 | 85.2 Ų | 85.2 | 59% | 0.592 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -70.5 | -33.8 | 178.1 | -166.3 | 167.5 | -166.1 | 130.9 | 7.4 | 113.1 | E365 L366 V367 Q372 L373 | E365-R369 VanDerWaalsContact O-CB 3.22Å; E365-R369 WeakPolarHBondContact O-CB 3.5Å; E365-R369 PolarHBondContact O-N 3.37Å; L366-R369 PolarHBondContact O-N 3.39Å; V367-R369 VanDerWaalsContact C-N 3.26Å; V367-R369 PolarHBondContact O-N 3.33Å; R369-Q372 PolarHBondContact O-N 2.94Å; R369-L373 HydrophobicContact CG-CD1 4.43Å; R369-L373 WeakPolarHBondContact O-CB 3.35Å; R369-L373 VanDerWaalsContact O-CG 3.28Å; R369-L373 WeakPolarHBondContact O-CG 3.23Å; R369-L373 PolarHBondContact O-N 3.17Å |
| 370 | C | 93.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 79.4 Ų | 79.4 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 173.7 | -155.4 | 0 | 0 | 0 | 0 | 110.6 | L366 V367 Q372 L373 Q374 L474 L478 | L366-C370 WeakPolarHBondContact O-CB 3.42Å; L366-C370 PolarHBondContact O-N 2.9Å; V367-C370 PolarHBondContact O-N 3.45Å; C370-Q372 PolarHBondContact O-N 2.95Å; C370-L373 PolarHBondContact O-N 2.88Å; C370-Q374 PolarHBondContact O-N 2.81Å; C370-L474 HydrophobicContact CB-CB 4.2Å; C370-L478 HydrophobicContact CB-CD1 3.83Å |
| 371 | Q | 93.3 | Very high | 94.2 | Very high | 129 Ų | 129 | 77.3 Ų | 77.3 | 60% | 0.603 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 175 | -67.4 | 172.8 | -4.5 | 0 | 0 | 112.4 | V367 Q368 Q374 S375 | V367-Q371 WeakPolarHBondContact O-CG 3.48Å; V367-Q371 PolarHBondContact O-N 3.23Å; Q368-Q371 PolarHBondContact O-N 3.07Å; Q371-Q374 PolarHBondContact O-N 3.18Å; Q371-S375 PolarHBondContact O-N 3.42Å; Q371-S375 PolarHBondContact O-OG 3.28Å |
| 372 | Q | 95.9 | Very high | 94.8 | Very high | 131 Ų | 131 | 77.9 Ų | 77.9 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.9 | -35.2 | 176.7 | -170.3 | -174.3 | 47.8 | 0 | 0 | 112.9 | Q368 R369 C370 S375 R376 | Q368-Q372 WeakPolarHBondContact O-CB 3.26Å; Q368-Q372 PolarHBondContact O-N 3.49Å; R369-Q372 PolarHBondContact O-N 2.94Å; C370-Q372 PolarHBondContact O-N 2.95Å; Q372-S375 PolarHBondContact O-OG 2.74Å; Q372-R376 WeakPolarHBondContact O-CB 3.49Å; Q372-R376 PolarHBondContact O-N 2.85Å |
| 373 | L | 96.4 | Very high | 95.1 | Very high | 19 Ų | 19 | 80.1 Ų | 80.1 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.7 | -43.3 | 173.3 | -75.8 | 168.3 | 0 | 0 | 0 | 111.2 | R369 C370 R376 L377 L467 K470 H471 L474 | R369-L373 HydrophobicContact CG-CD1 4.43Å; R369-L373 WeakPolarHBondContact O-CB 3.35Å; R369-L373 VanDerWaalsContact O-CG 3.28Å; R369-L373 WeakPolarHBondContact O-CG 3.23Å; R369-L373 PolarHBondContact O-N 3.17Å; C370-L373 PolarHBondContact O-N 2.88Å; L373-R376 PolarHBondContact O-N 2.87Å; L373-L377 VanDerWaalsContact O-CB 3.26Å; L373-L377 WeakPolarHBondContact O-CB 3.41Å; L373-L377 WeakPolarHBondContact O-CD1 3.37Å; L373-L377 VanDerWaalsContact O-CG 3.27Å; L373-L377 WeakPolarHBondContact O-CG 3.48Å; L373-L377 PolarHBondContact O-N 3.28Å; L373-L467 HydrophobicContact CD2-CB 4.3Å; L373-L467 HydrophobicContact CD2-CD2 3.75Å; L373-K470 HydrophobicContact CD1-CB 4.22Å; L373-H471 HydrophobicContact CB-CB 4.18Å; L373-L474 HydrophobicContact CD1-CD1 3.62Å |
| 374 | Q | 95.4 | Very high | 95.5 | Very high | 84 Ų | 84 | 78.4 Ų | 78.4 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | -179.8 | 179.1 | 60.5 | -2.2 | 0 | 0 | 112.2 | C370 Q371 R376 L377 S378 H471 | C370-Q374 PolarHBondContact O-N 2.81Å; Q371-Q374 PolarHBondContact O-N 3.18Å; Q374-R376 PolarHBondContact O-N 3.05Å; Q374-L377 PolarHBondContact O-N 3.15Å; Q374-S378 PolarHBondContact O-N 2.86Å; Q374-S378 PolarHBondContact O-OG 2.96Å; Q374-H471 PolarHBondContact OE1-NE2 2.97Å |
| 375 | S | 96.2 | Very high | 95.9 | Very high | 73 Ų | 73 | 79 Ų | 79 | 51% | 0.51 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 178.7 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | Q371 Q372 L377 S378 T379 | Q371-S375 PolarHBondContact O-N 3.42Å; Q371-S375 PolarHBondContact O-OG 3.28Å; Q372-S375 PolarHBondContact O-OG 2.74Å; S375-L377 PolarHBondContact O-N 2.89Å; S375-S378 PolarHBondContact O-N 3.28Å; S375-T379 PolarHBondContact O-N 3.2Å; S375-T379 PolarHBondContact O-OG1 2.59Å |
| 376 | R | 97.5 | Very high | 96.1 | Very high | 138 Ų | 138 | 78.7 Ų | 78.7 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | 175.7 | -174.6 | 175 | -179.2 | 171.4 | 2.8 | 112.8 | Q372 L373 Q374 L380 L467 | Q372-R376 WeakPolarHBondContact O-CB 3.49Å; Q372-R376 PolarHBondContact O-N 2.85Å; L373-R376 PolarHBondContact O-N 2.87Å; Q374-R376 PolarHBondContact O-N 3.05Å; R376-L380 HydrophobicContact CG-CD1 3.94Å; R376-L380 HydrophobicContact CG-CG 4.42Å; R376-L380 WeakPolarHBondContact O-CG 3.49Å; R376-L380 PolarHBondContact O-N 2.99Å; R376-L380 VanDerWaalsContact O-N 3.09Å; R376-L467 HydrophobicContact CG-CD1 4.33Å |
| 377 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 175.6 | -84.7 | 163.9 | 0 | 0 | 0 | 111.8 | L373 Q374 S375 K381 I464 L467 Q468 H471 | L373-L377 VanDerWaalsContact O-CB 3.26Å; L373-L377 WeakPolarHBondContact O-CB 3.41Å; L373-L377 WeakPolarHBondContact O-CD1 3.37Å; L373-L377 VanDerWaalsContact O-CG 3.27Å; L373-L377 WeakPolarHBondContact O-CG 3.48Å; L373-L377 PolarHBondContact O-N 3.28Å; Q374-L377 PolarHBondContact O-N 3.15Å; S375-L377 PolarHBondContact O-N 2.89Å; L377-K381 WeakPolarHBondContact O-CB 3.2Å; L377-K381 WeakPolarHBondContact O-CG 3.41Å; L377-K381 PolarHBondContact O-N 3.36Å; L377-I464 HydrophobicContact CD2-CG2 4.07Å; L377-L467 HydrophobicContact CD1-CB 4.44Å; L377-L467 HydrophobicContact CD2-CB 3.82Å; L377-L467 HydrophobicContact CG-CB 4.07Å; L377-Q468 HydrophobicContact CD1-CB 4.45Å; L377-Q468 HydrophobicContact CD2-CB 4.08Å; L377-H471 HydrophobicContact CD1-CB 3.63Å |
| 378 | S | 97.1 | Very high | 96.7 | Very high | 55 Ų | 55 | 77 Ų | 77 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 175.3 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | Q374 S375 K381 I382 | Q374-S378 PolarHBondContact O-N 2.86Å; Q374-S378 PolarHBondContact O-OG 2.96Å; S375-S378 PolarHBondContact O-N 3.28Å; S378-K381 PolarHBondContact O-N 2.83Å; S378-I382 WeakPolarHBondContact O-CG1 3.36Å; S378-I382 PolarHBondContact O-N 2.93Å |
| 379 | T | 97.4 | Very high | 96.9 | Very high | 92 Ų | 92 | 76.9 Ų | 76.9 | 56% | 0.564 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.7 | -52.1 | 177.5 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | S375 K381 I382 E383 | S375-T379 PolarHBondContact O-N 3.2Å; S375-T379 PolarHBondContact O-OG1 2.59Å; T379-K381 VanDerWaalsContact C-N 3.28Å; T379-K381 PolarHBondContact O-N 3Å; T379-I382 PolarHBondContact O-N 3.41Å; T379-E383 PolarHBondContact O-N 3.02Å; T379-E383 VanDerWaalsContact O-N 3.15Å |
| 380 | L | 97.6 | Very high | 97 | Very high | 23 Ų | 23 | 72 Ų | 72 | 12% | 0.12 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.6 | -33.2 | -177.8 | -71.9 | 170.7 | 0 | 0 | 0 | 112.7 | R376 N384 L463 I464 L467 | R376-L380 HydrophobicContact CG-CD1 3.94Å; R376-L380 HydrophobicContact CG-CG 4.42Å; R376-L380 WeakPolarHBondContact O-CG 3.49Å; R376-L380 PolarHBondContact O-N 2.99Å; R376-L380 VanDerWaalsContact O-N 3.09Å; L380-N384 WeakPolarHBondContact O-CB 3.22Å; L380-N384 PolarHBondContact O-N 2.91Å; L380-L463 HydrophobicContact CD1-CD2 3.72Å; L380-L463 HydrophobicContact CD1-CG 3.96Å; L380-L463 HydrophobicContact CD2-CD2 4.05Å; L380-I464 HydrophobicContact CB-CD1 4.34Å; L380-I464 HydrophobicContact CB-CG1 3.89Å; L380-L467 HydrophobicContact CD1-CD1 3.65Å |
| 381 | K | 97.6 | Very high | 97.2 | Very high | 87 Ų | 87 | 72.4 Ų | 72.4 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 176.5 | -78.8 | 173.5 | -177.6 | 178.3 | 0 | 112.6 | L377 S378 T379 E385 I464 | L377-K381 WeakPolarHBondContact O-CB 3.2Å; L377-K381 WeakPolarHBondContact O-CG 3.41Å; L377-K381 PolarHBondContact O-N 3.36Å; S378-K381 PolarHBondContact O-N 2.83Å; T379-K381 VanDerWaalsContact C-N 3.28Å; T379-K381 PolarHBondContact O-N 3Å; K381-E385 WeakPolarHBondContact O-CB 3.21Å; K381-E385 WeakPolarHBondContact O-CG 3.28Å; K381-E385 PolarHBondContact O-N 2.92Å; K381-I464 HydrophobicContact CG-CD1 4.3Å; K381-I464 HydrophobicContact CG-CG2 4.24Å |
| 382 | I | 97.4 | Very high | 97.5 | Very high | 105 Ų | 105 | 70.6 Ų | 70.6 | 54% | 0.538 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.7 | -54.7 | 177.6 | -64.9 | 163.8 | 0 | 0 | 0 | 109.2 | S378 T379 N384 E385 E386 | S378-I382 WeakPolarHBondContact O-CG1 3.36Å; S378-I382 PolarHBondContact O-N 2.93Å; T379-I382 PolarHBondContact O-N 3.41Å; I382-N384 VanDerWaalsContact C-N 3.33Å; I382-N384 PolarHBondContact O-N 2.81Å; I382-E385 PolarHBondContact O-N 3.39Å; I382-E385 VanDerWaalsContact O-N 3.13Å; I382-E386 PolarHBondContact O-N 2.94Å |
| 383 | E | 97.5 | Very high | 97.6 | Very high | 108 Ų | 108 | 67.2 Ų | 67.2 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -51.5 | -48.8 | 176.3 | -178.8 | -179.1 | -170.2 | 0 | 0 | 111.9 | T379 E385 E386 V387 | T379-E383 PolarHBondContact O-N 3.02Å; T379-E383 VanDerWaalsContact O-N 3.15Å; E383-E385 PolarHBondContact O-N 3.17Å; E383-E386 PolarHBondContact O-N 2.84Å; E383-V387 WeakPolarHBondContact O-CG2 3.1Å; E383-V387 PolarHBondContact O-N 3.19Å; E383-V387 VanDerWaalsContact O-N 3.09Å |
| 384 | N | 97.9 | Very high | 97.6 | Very high | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.4 | -28.3 | -178.3 | -168.7 | 95.2 | 0 | 0 | 0 | 113.7 | L380 I382 K388 Y457 G460 R461 I464 | L380-N384 WeakPolarHBondContact O-CB 3.22Å; L380-N384 PolarHBondContact O-N 2.91Å; I382-N384 VanDerWaalsContact C-N 3.33Å; I382-N384 PolarHBondContact O-N 2.81Å; N384-K388 VanDerWaalsContact O-CB 3.23Å; N384-K388 WeakPolarHBondContact O-CB 3.46Å; N384-K388 PolarHBondContact O-N 3.22Å; N384-Y457 VanDerWaalsContact ND2-CD2 3.28Å; N384-Y457 WeakPolarHBondContact ND2-CD2 3.18Å; N384-Y457 VanDerWaalsContact ND2-CE2 3.26Å; N384-Y457 WeakPolarHBondContact ND2-CE2 3.2Å; N384-Y457 PolarHBondContact OD1-O 3.26Å; N384-Y457 VanDerWaalsContact OD1-O 3.07Å; N384-G460 VanDerWaalsContact OD1-CA 3.25Å; N384-G460 WeakPolarHBondContact OD1-CA 3.1Å; N384-R461 PolarHBondContact OD1-N 3.33Å; N384-I464 HydrophobicContact CB-CD1 3.54Å |
| 385 | E | 97.9 | Very high | 97.7 | Very high | 77 Ų | 77 | 66.3 Ų | 66.3 | 36% | 0.36 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75.2 | -29.3 | 172.9 | -76.8 | -68.8 | 133.8 | 0 | 0 | 112.1 | K381 I382 E383 K388 K389 | K381-E385 WeakPolarHBondContact O-CB 3.21Å; K381-E385 WeakPolarHBondContact O-CG 3.28Å; K381-E385 PolarHBondContact O-N 2.92Å; I382-E385 PolarHBondContact O-N 3.39Å; I382-E385 VanDerWaalsContact O-N 3.13Å; E383-E385 PolarHBondContact O-N 3.17Å; E385-K388 VanDerWaalsContact CD-NZ 3.33Å; E385-K388 PolarHBondContact O-N 3.36Å; E385-K388 WeakPolarHBondContact OE1-CD 3.32Å; E385-K388 IonicContact OE1-NZ 3.13Å; E385-K388 PolarHBondContact OE1-NZ 2.76Å; E385-K388 VanDerWaalsContact OE1-NZ 3.16Å; E385-K388 IonicContact OE2-NZ 3.01Å; E385-K388 PolarHBondContact OE2-NZ 3.06Å; E385-K389 WeakPolarHBondContact O-CB 3.43Å; E385-K389 VanDerWaalsContact O-CG 3.3Å; E385-K389 WeakPolarHBondContact O-CG 3.35Å; E385-K389 PolarHBondContact O-N 3.35Å |
| 386 | E | 97.9 | Very high | 97.8 | Very high | 121 Ų | 121 | 68 Ų | 68 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.6 | -44.4 | 170.9 | -69.8 | 172.7 | -175.2 | 0 | 0 | 111.7 | I382 E383 K388 K389 T390 | I382-E386 PolarHBondContact O-N 2.94Å; E383-E386 PolarHBondContact O-N 2.84Å; E386-K388 VanDerWaalsContact C-N 3.34Å; E386-K389 PolarHBondContact O-N 3.47Å; E386-T390 PolarHBondContact O-N 2.99Å; E386-T390 PolarHBondContact O-OG1 3.06Å |
| 387 | V | 98.3 | Very high | 97.8 | Very high | 14 Ų | 14 | 64.5 Ų | 64.5 | 9% | 0.085 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 172.6 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | E383 T390 M391 K453 E456 | E383-V387 WeakPolarHBondContact O-CG2 3.1Å; E383-V387 PolarHBondContact O-N 3.19Å; E383-V387 VanDerWaalsContact O-N 3.09Å; V387-T390 WeakPolarHBondContact O-CB 3.47Å; V387-T390 PolarHBondContact O-N 2.84Å; V387-M391 WeakPolarHBondContact O-CB 3.35Å; V387-M391 PolarHBondContact O-N 3.2Å; V387-K453 HydrophobicContact CG1-CD 4.02Å; V387-E456 HydrophobicContact CG1-CB 3.86Å; V387-E456 HydrophobicContact CG1-CG 3.82Å; V387-E456 HydrophobicContact CG2-CG 4.13Å; V387-E456 VanDerWaalsContact CG2-OE1 3.28Å; V387-E456 WeakPolarHBondContact CG2-OE1 3.37Å |
| 388 | K | 98 | Very high | 97.8 | Very high | 45 Ų | 45 | 65.5 Ų | 65.5 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.6 | -50.5 | 176.3 | -176 | -172.3 | 133.1 | -151.6 | 0 | 112 | N384 E385 E386 T390 M391 E392 Y457 | N384-K388 VanDerWaalsContact O-CB 3.23Å; N384-K388 WeakPolarHBondContact O-CB 3.46Å; N384-K388 PolarHBondContact O-N 3.22Å; E385-K388 VanDerWaalsContact CD-NZ 3.33Å; E385-K388 PolarHBondContact O-N 3.36Å; E385-K388 WeakPolarHBondContact OE1-CD 3.32Å; E385-K388 IonicContact OE1-NZ 3.13Å; E385-K388 PolarHBondContact OE1-NZ 2.76Å; E385-K388 VanDerWaalsContact OE1-NZ 3.16Å; E385-K388 IonicContact OE2-NZ 3.01Å; E385-K388 PolarHBondContact OE2-NZ 3.06Å; E386-K388 VanDerWaalsContact C-N 3.34Å; K388-T390 VanDerWaalsContact C-N 3.26Å; K388-T390 PolarHBondContact O-N 3.35Å; K388-M391 HydrophobicContact CG-CE 4.4Å; K388-M391 CarbonylContact O-C 3.32Å; K388-M391 WeakPolarHBondContact O-CB 3.17Å; K388-M391 PolarHBondContact O-N 3.12Å; K388-M391 VanDerWaalsContact O-N 3.08Å; K388-E392 VanDerWaalsContact CE-CD 3.43Å; K388-E392 WeakPolarHBondContact CE-OE1 3.38Å; K388-E392 VanDerWaalsContact CE-OE2 3.26Å; K388-E392 WeakPolarHBondContact CE-OE2 3.41Å; K388-E392 HydrophobicContact CG-CG 4.3Å; K388-E392 WeakPolarHBondContact CG-OE1 3.29Å; K388-E392 WeakPolarHBondContact O-CB 3.32Å; K388-E392 WeakPolarHBondContact O-CG 3.42Å; K388-E392 PolarHBondContact O-N 3.12Å; K388-Y457 HydrophobicContact CB-CD2 3.66Å; K388-Y457 HydrophobicContact CB-CE2 3.67Å; K388-Y457 HydrophobicContact CD-CE2 3.86Å; K388-Y457 HydrophobicContact CG-CD2 4.1Å; K388-Y457 HydrophobicContact CG-CE2 3.69Å |
| 389 | K | 98.3 | Very high | 97.7 | Very high | 139 Ų | 139 | 67.3 Ų | 67.3 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.8 | -38.8 | 177 | -75 | 172.5 | -179 | -178.7 | 0 | 112.1 | E385 E386 E392 A393 | E385-K389 WeakPolarHBondContact O-CB 3.43Å; E385-K389 VanDerWaalsContact O-CG 3.3Å; E385-K389 WeakPolarHBondContact O-CG 3.35Å; E385-K389 PolarHBondContact O-N 3.35Å; E386-K389 PolarHBondContact O-N 3.47Å; K389-E392 PolarHBondContact O-N 2.74Å; K389-A393 VanDerWaalsContact O-CB 3.3Å; K389-A393 WeakPolarHBondContact O-CB 3.26Å; K389-A393 PolarHBondContact O-N 2.99Å |
| 390 | T | 98.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 67.2 Ų | 67.2 | 34% | 0.337 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 175.3 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | E386 V387 K388 T394 F449 K453 | E386-T390 PolarHBondContact O-N 2.99Å; E386-T390 PolarHBondContact O-OG1 3.06Å; V387-T390 WeakPolarHBondContact O-CB 3.47Å; V387-T390 PolarHBondContact O-N 2.84Å; K388-T390 VanDerWaalsContact C-N 3.26Å; K388-T390 PolarHBondContact O-N 3.35Å; T390-T394 WeakPolarHBondContact O-CB 3.43Å; T390-T394 PolarHBondContact O-N 2.94Å; T390-T394 PolarHBondContact O-OG1 3.47Å; T390-F449 HydrophobicContact CG2-CE1 3.91Å; T390-F449 HydrophobicContact CG2-CZ 3.99Å; T390-K453 HydrophobicContact CG2-CD 3.96Å; T390-K453 HydrophobicContact CG2-CG 4.07Å |
| 391 | M | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 68.6 Ų | 68.6 | 6% | 0.064 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 176.2 | 179.8 | -164.9 | 74.7 | 0 | 0 | 112.2 | V387 K388 T394 L395 Y450 K453 M454 Y457 | V387-M391 WeakPolarHBondContact O-CB 3.35Å; V387-M391 PolarHBondContact O-N 3.2Å; K388-M391 HydrophobicContact CG-CE 4.4Å; K388-M391 CarbonylContact O-C 3.32Å; K388-M391 WeakPolarHBondContact O-CB 3.17Å; K388-M391 PolarHBondContact O-N 3.12Å; K388-M391 VanDerWaalsContact O-N 3.08Å; M391-T394 PolarHBondContact O-N 3.24Å; M391-L395 WeakPolarHBondContact O-CB 3.41Å; M391-L395 PolarHBondContact O-N 3.23Å; M391-Y450 HydrophobicContact CG-CD2 3.86Å; M391-Y450 HydrophobicContact CG-CE2 3.66Å; M391-K453 HydrophobicContact CB-CB 4.04Å; M391-M454 HydrophobicContact CE-CE 4.17Å; M391-M454 HydrophobicContact CG-CB 4.46Å; M391-M454 HydrophobicContact CG-CE 4.44Å; M391-M454 HydrophobicContact SD-CB 4.02Å; M391-M454 HydrophobicContact SD-CE 3.43Å; M391-M454 WeakPolarHBondContact SD-CE 3.26Å; M391-M454 HydrophobicContact SD-CG 4.47Å; M391-M454 HydrophobicContact SD-SD 3.71Å; M391-Y457 HydrophobicContact CE-CD1 4.1Å; M391-Y457 HydrophobicContact CE-CE1 4.32Å; M391-Y457 HydrophobicContact CE-CG 4.36Å; M391-Y457 HydrophobicContact SD-CD1 3.95Å; M391-Y457 HydrophobicContact SD-CG 4.14Å |
| 392 | E | 97.8 | Very high | 97.2 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 43% | 0.425 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 179.5 | -72.5 | 168.5 | 165.4 | 0 | 0 | 111.5 | K388 K389 T394 L395 Q396 | K388-E392 VanDerWaalsContact CE-CD 3.43Å; K388-E392 WeakPolarHBondContact CE-OE1 3.38Å; K388-E392 VanDerWaalsContact CE-OE2 3.26Å; K388-E392 WeakPolarHBondContact CE-OE2 3.41Å; K388-E392 HydrophobicContact CG-CG 4.3Å; K388-E392 WeakPolarHBondContact CG-OE1 3.29Å; K388-E392 WeakPolarHBondContact O-CB 3.32Å; K388-E392 WeakPolarHBondContact O-CG 3.42Å; K388-E392 PolarHBondContact O-N 3.12Å; K389-E392 PolarHBondContact O-N 2.74Å; E392-T394 VanDerWaalsContact C-N 3.35Å; E392-T394 PolarHBondContact O-N 2.68Å; E392-L395 WeakPolarHBondContact O-CB 3.31Å; E392-L395 PolarHBondContact O-N 3.41Å; E392-Q396 PolarHBondContact O-N 3.4Å |
| 393 | A | 98 | Very high | 97 | Very high | 60 Ų | 60 | 67.2 Ų | 67.2 | 50% | 0.496 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K389 L395 Q396 T397 | K389-A393 VanDerWaalsContact O-CB 3.3Å; K389-A393 WeakPolarHBondContact O-CB 3.26Å; K389-A393 PolarHBondContact O-N 2.99Å; A393-L395 VanDerWaalsContact C-N 3.33Å; A393-Q396 PolarHBondContact O-N 3.09Å; A393-T397 PolarHBondContact O-N 3.15Å; A393-T397 VanDerWaalsContact O-N 3.08Å; A393-T397 PolarHBondContact O-OG1 3.34Å |
| 394 | T | 97.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 175.4 | -48.8 | 0 | 0 | 0 | 0 | 111.3 | T390 M391 E392 T397 I398 T446 F449 | T390-T394 WeakPolarHBondContact O-CB 3.43Å; T390-T394 PolarHBondContact O-N 2.94Å; T390-T394 PolarHBondContact O-OG1 3.47Å; M391-T394 PolarHBondContact O-N 3.24Å; E392-T394 VanDerWaalsContact C-N 3.35Å; E392-T394 PolarHBondContact O-N 2.68Å; T394-T397 PolarHBondContact O-N 3.44Å; T394-I398 HydrophobicContact CG2-CD1 4.42Å; T394-I398 WeakPolarHBondContact O-CG1 3.4Å; T394-I398 PolarHBondContact O-N 3.29Å; T394-T446 HydrophobicContact CG2-CG2 3.69Å; T394-F449 HydrophobicContact CG2-CD1 3.86Å |
| 395 | L | 97.9 | Very high | 96.4 | Very high | 70 Ų | 70 | 72.6 Ų | 72.6 | 37% | 0.366 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.3 | -177.1 | 58.7 | 0 | 0 | 0 | 111.5 | M391 E392 A393 I398 Q399 Y450 | M391-L395 WeakPolarHBondContact O-CB 3.41Å; M391-L395 PolarHBondContact O-N 3.23Å; E392-L395 WeakPolarHBondContact O-CB 3.31Å; E392-L395 PolarHBondContact O-N 3.41Å; A393-L395 VanDerWaalsContact C-N 3.33Å; L395-I398 PolarHBondContact O-N 2.89Å; L395-Q399 PolarHBondContact O-N 2.7Å; L395-Y450 HydrophobicContact CB-CD2 4.12Å; L395-Y450 HydrophobicContact CB-CE2 3.83Å; L395-Y450 HydrophobicContact CD1-CE2 4.01Å; L395-Y450 HydrophobicContact CD2-CE2 4.33Å; L395-Y450 HydrophobicContact CG-CE2 4.28Å |
| 396 | Q | 97.5 | Very high | 95.9 | Very high | 108 Ų | 108 | 73 Ų | 73 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 173.3 | -171.9 | 61.6 | 53.5 | 0 | 0 | 110.8 | E392 A393 I398 Q399 D400 | E392-Q396 PolarHBondContact O-N 3.4Å; A393-Q396 PolarHBondContact O-N 3.09Å; Q396-I398 PolarHBondContact O-N 3.02Å; Q396-Q399 CarbonylContact O-C 3.59Å; Q396-Q399 WeakPolarHBondContact O-CA 3.41Å; Q396-Q399 VanDerWaalsContact O-CB 3.3Å; Q396-Q399 WeakPolarHBondContact O-CB 3.4Å; Q396-Q399 PolarHBondContact O-N 3.24Å; Q396-D400 PolarHBondContact NE2-OD1 3.44Å; Q396-D400 PolarHBondContact O-N 2.7Å |
| 397 | T | 97.3 | Very high | 95.4 | Very high | 65 Ų | 65 | 74.8 Ų | 74.8 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.1 | -33.9 | 175.9 | -53.1 | 0 | 0 | 0 | 0 | 113.1 | A393 T394 I401 T446 | A393-T397 PolarHBondContact O-N 3.15Å; A393-T397 VanDerWaalsContact O-N 3.08Å; A393-T397 PolarHBondContact O-OG1 3.34Å; T394-T397 PolarHBondContact O-N 3.44Å; T397-I401 HydrophobicContact CG2-CD1 4.16Å; T397-I401 WeakPolarHBondContact O-CD1 3.45Å; T397-I401 WeakPolarHBondContact O-CG1 3.43Å; T397-I401 PolarHBondContact O-N 3.23Å; T397-T446 HydrophobicContact CG2-CG2 4.25Å |
| 398 | I | 97.4 | Very high | 95 | Very high | 22 Ų | 22 | 79.7 Ų | 79.7 | 11% | 0.113 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 172.9 | -67.2 | 164.8 | 0 | 0 | 0 | 110.5 | T394 L395 Q396 I401 V402 T446 E447 Y450 | T394-I398 HydrophobicContact CG2-CD1 4.42Å; T394-I398 WeakPolarHBondContact O-CG1 3.4Å; T394-I398 PolarHBondContact O-N 3.29Å; L395-I398 PolarHBondContact O-N 2.89Å; Q396-I398 PolarHBondContact O-N 3.02Å; I398-I401 PolarHBondContact O-N 3.17Å; I398-V402 WeakPolarHBondContact O-CG2 3.33Å; I398-V402 PolarHBondContact O-N 3.41Å; I398-V402 VanDerWaalsContact O-N 3.14Å; I398-T446 HydrophobicContact CD1-CG2 4.33Å; I398-T446 HydrophobicContact CG1-CG2 3.75Å; I398-E447 HydrophobicContact CD1-CG 4.2Å; I398-E447 HydrophobicContact CG1-CG 4.45Å; I398-Y450 HydrophobicContact CD1-CD1 4.26Å; I398-Y450 HydrophobicContact CD1-CG 3.89Å |
| 399 | Q | 96.3 | Very high | 94.6 | Very high | 93 Ų | 93 | 81.5 Ų | 81.5 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.9 | -50.9 | 175.8 | -164.8 | 67.8 | 33.7 | 0 | 0 | 110.8 | L395 Q396 I401 V402 T403 | L395-Q399 PolarHBondContact O-N 2.7Å; Q396-Q399 CarbonylContact O-C 3.59Å; Q396-Q399 WeakPolarHBondContact O-CA 3.41Å; Q396-Q399 VanDerWaalsContact O-CB 3.3Å; Q396-Q399 WeakPolarHBondContact O-CB 3.4Å; Q396-Q399 PolarHBondContact O-N 3.24Å; Q399-I401 PolarHBondContact O-N 2.65Å; Q399-I401 VanDerWaalsContact O-N 3.17Å; Q399-V402 WeakPolarHBondContact O-CG2 3.48Å; Q399-V402 PolarHBondContact O-N 3.01Å; Q399-T403 HydrophobicContact CG-CG2 4.27Å; Q399-T403 PolarHBondContact O-N 3.42Å; Q399-T403 PolarHBondContact O-OG1 2.95Å; Q399-T403 VanDerWaalsContact O-OG1 3.12Å |
| 400 | D | 95 | Very high | 94.1 | Very high | 89 Ų | 89 | 78 Ų | 78 | 48% | 0.476 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.5 | -31.8 | 178.3 | -52.2 | -28 | 0 | 0 | 0 | 112.5 | Q396 | Q396-D400 PolarHBondContact NE2-OD1 3.44Å; Q396-D400 PolarHBondContact O-N 2.7Å |
| 401 | I | 93.8 | Very high | 93.3 | Very high | 53 Ų | 53 | 79.5 Ų | 79.5 | 27% | 0.272 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -76.8 | -33.5 | 177 | -72.8 | 166.5 | 0 | 0 | 0 | 112.3 | T397 I398 Q399 Q443 | T397-I401 HydrophobicContact CG2-CD1 4.16Å; T397-I401 WeakPolarHBondContact O-CD1 3.45Å; T397-I401 WeakPolarHBondContact O-CG1 3.43Å; T397-I401 PolarHBondContact O-N 3.23Å; I398-I401 PolarHBondContact O-N 3.17Å; Q399-I401 PolarHBondContact O-N 2.65Å; Q399-I401 VanDerWaalsContact O-N 3.17Å; I401-Q443 HydrophobicContact CG2-CB 4.2Å; I401-Q443 HydrophobicContact CG2-CG 4.02Å |
| 402 | V | 93.1 | Very high | 92.6 | Very high | 80 Ų | 80 | 82.6 Ų | 82.6 | 49% | 0.485 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -97.5 | -13.2 | -175 | -56.1 | 0 | 0 | 0 | 0 | 114.4 | I398 Q399 | I398-V402 WeakPolarHBondContact O-CG2 3.33Å; I398-V402 PolarHBondContact O-N 3.41Å; I398-V402 VanDerWaalsContact O-N 3.14Å; Q399-V402 WeakPolarHBondContact O-CG2 3.48Å; Q399-V402 PolarHBondContact O-N 3.01Å |
| 403 | T | 92.7 | Very high | 91.9 | Very high | 82 Ų | 82 | 85.2 Ų | 85.2 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -100.6 | 31.8 | 171.3 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | Q399 | Q399-T403 HydrophobicContact CG-CG2 4.27Å; Q399-T403 PolarHBondContact O-N 3.42Å; Q399-T403 PolarHBondContact O-OG1 2.95Å; Q399-T403 VanDerWaalsContact O-OG1 3.12Å |
| 404 | V | 92.5 | Very high | 91.3 | Very high | 70 Ų | 70 | 88.3 Ų | 88.3 | 42% | 0.424 | 47% | 0.466 | S | S | . | . | trans | -73.6 | 132.7 | 170.7 | 62.1 | 0 | 0 | 0 | 0 | 109.9 | D406 | V404-D406 HydrophobicContact CG1-CB 4.44Å; V404-D406 HydrophobicContact CG2-CB 4.39Å; V404-D406 PolarHBondContact O-N 2.99Å | ||
| 405 | E | 90.9 | Very high | 90.3 | Very high | 163 Ų | 163 | 96.3 Ų | 96.3 | 76% | 0.762 | 50% | 0.496 | S | S | * | . | trans | -82 | 61 | -179 | -60.4 | 178.6 | 138.2 | 0 | 0 | 111 | F407 | E405-F407 VanDerWaalsContact C-N 3.34Å; E405-F407 HydrophobicContact CB-CE1 3.86Å; E405-F407 HydrophobicContact CB-CZ 4.22Å; E405-F407 HydrophobicContact CG-CE1 4.03Å; E405-F407 HydrophobicContact CG-CZ 4.35Å | ||
| 406 | D | 87.8 | Confident | 88.8 | Confident | 87 Ų | 87 | 98 Ų | 98 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 21.5 | -178.5 | 79.3 | -18.3 | 0 | 0 | 0 | 114.7 | V404 F430 | V404-D406 HydrophobicContact CG1-CB 4.44Å; V404-D406 HydrophobicContact CG2-CB 4.39Å; V404-D406 PolarHBondContact O-N 2.99Å; D406-F430 HydrophobicContact CB-CE1 4.07Å; D406-F430 HydrophobicContact CB-CZ 4.48Å |
| 407 | F | 87.4 | Confident | 86.5 | Confident | 158 Ų | 158 | 101.2 Ų | 101.2 | 69% | 0.693 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -13.2 | -178.4 | 56.4 | -100.2 | 0 | 0 | 0 | 115.3 | E405 V409 | E405-F407 VanDerWaalsContact C-N 3.34Å; E405-F407 HydrophobicContact CB-CE1 3.86Å; E405-F407 HydrophobicContact CB-CZ 4.22Å; E405-F407 HydrophobicContact CG-CE1 4.03Å; E405-F407 HydrophobicContact CG-CZ 4.35Å; F407-V409 PolarHBondContact O-N 2.92Å |
| 408 | D | 89.1 | Confident | 84 | Confident | 117 Ų | 117 | 102.4 Ų | 102.4 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | trans | -68.8 | 129.2 | 172 | -174.7 | 9.1 | 0 | 0 | 0 | 110.4 | S410 | D408-S410 VanDerWaalsContact OD1-CB 3.25Å; D408-S410 WeakPolarHBondContact OD1-CB 3.36Å; D408-S410 PolarHBondContact OD1-N 2.71Å; D408-S410 PolarHBondContact OD1-OG 2.86Å | ||
| 409 | V | 90.3 | Very high | 81.6 | Confident | 83 Ų | 83 | 110.6 Ų | 110.6 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | trans | -124.4 | 15.5 | -178.3 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | F407 D411 C412 F413 | F407-V409 PolarHBondContact O-N 2.92Å; V409-D411 VanDerWaalsContact C-N 3.25Å; V409-D411 PolarHBondContact O-N 3Å; V409-C412 WeakPolarHBondContact O-CB 3.45Å; V409-C412 PolarHBondContact O-N 2.7Å; V409-F413 HydrophobicContact CG2-CE2 4.19Å | ||
| 410 | S | 86.4 | Confident | 79.1 | Confident | 65 Ų | 65 | 113.8 Ų | 113.8 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -53.4 | -38.6 | -177.7 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | D408 C412 F413 | D408-S410 VanDerWaalsContact OD1-CB 3.25Å; D408-S410 WeakPolarHBondContact OD1-CB 3.36Å; D408-S410 PolarHBondContact OD1-N 2.71Å; D408-S410 PolarHBondContact OD1-OG 2.86Å; S410-C412 PolarHBondContact O-N 3.45Å; S410-F413 PolarHBondContact O-N 2.77Å |
| 411 | D | 82.7 | Confident | 77.2 | Confident | 86 Ų | 86 | 115.2 Ų | 115.2 | 46% | 0.46 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -55.7 | -28.7 | 172.7 | -83.4 | 8.2 | 0 | 0 | 0 | 113.8 | V409 F413 Q414 | V409-D411 VanDerWaalsContact C-N 3.25Å; V409-D411 PolarHBondContact O-N 3Å; D411-F413 PolarHBondContact O-N 2.82Å; D411-Q414 PolarHBondContact O-N 3.08Å; D411-Q414 PolarHBondContact OD1-NE2 3.3Å |
| 412 | C | 83.6 | Confident | 74.7 | Confident | 79 Ų | 79 | 118.7 Ų | 118.7 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -69.5 | -15.7 | 178.8 | -59 | 0 | 0 | 0 | 0 | 113.3 | V409 S410 Y415 | V409-C412 WeakPolarHBondContact O-CB 3.45Å; V409-C412 PolarHBondContact O-N 2.7Å; S410-C412 PolarHBondContact O-N 3.45Å; C412-Y415 PolarHBondContact O-OH 3Å; C412-Y415 VanDerWaalsContact O-OH 3.1Å |
| 413 | F | 83.6 | Confident | 72.5 | Confident | 145 Ų | 145 | 121.8 Ų | 121.8 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -104.6 | -3.9 | 179.9 | -62 | -88.4 | 0 | 0 | 0 | 113 | V409 S410 D411 Y415 | V409-F413 HydrophobicContact CG2-CE2 4.19Å; S410-F413 PolarHBondContact O-N 2.77Å; D411-F413 PolarHBondContact O-N 2.82Å; F413-Y415 VanDerWaalsContact C-N 3.25Å; F413-Y415 WeakPolarHBondContact O-CD2 3.48Å; F413-Y415 PolarHBondContact O-N 3.16Å |
| 414 | Q | 85.1 | Confident | 70.2 | Confident | 126 Ų | 126 | 121.1 Ų | 121.1 | 59% | 0.589 | 65% | 0.646 | S | S | * | * | trans | -79.5 | 66.5 | 179 | -68.1 | 176.6 | 38.8 | 0 | 0 | 112.3 | D411 S416 | D411-Q414 PolarHBondContact O-N 3.08Å; D411-Q414 PolarHBondContact OD1-NE2 3.3Å; Q414-S416 VanDerWaalsContact C-N 3.32Å; Q414-S416 PolarHBondContact O-N 2.79Å | ||
| 415 | Y | 76.8 | Confident | 67.9 | Low | 181 Ų | 181 | 122.8 Ų | 122.8 | 71% | 0.71 | 66% | 0.656 | S | S | * | * | trans | -72.4 | 83 | 174.8 | -55.5 | -65.7 | 0 | 0 | 0 | 111.4 | C412 F413 N417 | C412-Y415 PolarHBondContact O-OH 3Å; C412-Y415 VanDerWaalsContact O-OH 3.1Å; F413-Y415 VanDerWaalsContact C-N 3.25Å; F413-Y415 WeakPolarHBondContact O-CD2 3.48Å; F413-Y415 PolarHBondContact O-N 3.16Å; Y415-N417 PolarHBondContact O-N 3.48Å | ||
| 416 | S | 66.6 | Low | 65.7 | Low | 105 Ų | 105 | 119.8 Ų | 119.8 | 73% | 0.734 | 65% | 0.649 | S | S | * | * | trans | -55.6 | 128.8 | 167.5 | -74.2 | 0 | 0 | 0 | 0 | 110.2 | Q414 S418 | Q414-S416 VanDerWaalsContact C-N 3.32Å; Q414-S416 PolarHBondContact O-N 2.79Å; S416-S418 PolarHBondContact O-N 3.2Å | ||
| 417 | N | 48.7 | Very low | 63.7 | Low | 176 Ų | 176 | 118.7 Ų | 118.7 | 94% | 0.941 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -69.7 | 25.3 | -170.9 | -76.9 | -52.2 | 0 | 0 | 0 | 115.9 | Y415 | Y415-N417 PolarHBondContact O-N 3.48Š|
| 418 | S | 44.6 | Very low | 61.7 | Low | 91 Ų | 91 | 115.7 Ų | 115.7 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | trans | -90.4 | 99.9 | 169.5 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | S416 E420 | S416-S418 PolarHBondContact O-N 3.2Å; S418-E420 PolarHBondContact O-N 2.95Å | ||
| 419 | M | 47.3 | Very low | 59.9 | Low | 193 Ų | 193 | 115.3 Ų | 115.3 | 95% | 0.951 | 64% | 0.638 | S | S | * | * | trans | -75.3 | 38.5 | 179.7 | -161 | -179 | 65.8 | 0 | 0 | 112.7 | ||||
| 420 | E | 42.8 | Very low | 57.9 | Low | 161 Ų | 161 | 116 Ų | 116 | 75% | 0.752 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -152 | 124.7 | 177.7 | -152.9 | 163.1 | -144.1 | 0 | 0 | 112.5 | S418 V422 | S418-E420 PolarHBondContact O-N 2.95Å; E420-V422 PolarHBondContact O-N 3.39Å |
| 421 | S | 56 | Low | 56.4 | Low | 118 Ų | 118 | 117.8 Ų | 117.8 | 83% | 0.825 | 64% | 0.637 | S | S | * | * | trans | 9.3 | 91.3 | 165.1 | 179.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 422 | V | 40 | Very low | 55.2 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | trans | -133.9 | 128.3 | 141.3 | -163.7 | 0 | 0 | 0 | 0 | 109.1 | E420 | E420-V422 PolarHBondContact O-N 3.39Š| ||
| 423 | K | 47.2 | Very low | 54 | Low | 145 Ų | 145 | 120.8 Ų | 120.8 | 63% | 0.63 | 64% | 0.642 | S | S | * | * | trans | -65 | 131.7 | 165.1 | -75.4 | 174.4 | 151.4 | -153.1 | 0 | 108.4 | T425 E428 | K423-T425 PolarHBondContact O-N 3.35Å; K423-E428 IonicContact NZ-OE1 3.81Å; K423-E428 PolarHBondContact NZ-OE1 3.06Å; K423-E428 IonicContact NZ-OE2 2.81Å | ||
| 424 | S | 44.3 | Very low | 52.7 | Low | 67 Ų | 67 | 118.7 Ų | 118.7 | 47% | 0.469 | 64% | 0.643 | S | S | . | * | trans | -62.4 | 105.1 | 173.4 | -178 | 0 | 0 | 0 | 0 | 110.9 | V426 S427 | S424-V426 PolarHBondContact O-N 2.7Å; S424-S427 PolarHBondContact O-N 2.82Å; S424-S427 PolarHBondContact OG-OG 3.22Å | ||
| 425 | T | 44.9 | Very low | 52.2 | Low | 105 Ų | 105 | 114.3 Ų | 114.3 | 64% | 0.644 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.3 | -19.6 | 178.9 | -7.6 | 0 | 0 | 0 | 0 | 112.4 | K423 | K423-T425 PolarHBondContact O-N 3.35Å |
| 426 | V | 45.1 | Very low | 52.4 | Low | 100 Ų | 100 | 109.9 Ų | 109.9 | 61% | 0.606 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.1 | -48.2 | 175.2 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | S424 E428 | S424-V426 PolarHBondContact O-N 2.7Å; V426-E428 PolarHBondContact O-N 3.14Å |
| 427 | S | 46 | Very low | 53.4 | Low | 64 Ų | 64 | 107.6 Ų | 107.6 | 45% | 0.448 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.1 | -30.1 | -175.6 | -43.4 | 0 | 0 | 0 | 0 | 114.2 | S424 T429 M431 | S424-S427 PolarHBondContact O-N 2.82Å; S424-S427 PolarHBondContact OG-OG 3.22Å; S427-T429 VanDerWaalsContact C-N 3.28Å; S427-T429 PolarHBondContact O-N 3.44Å; S427-M431 PolarHBondContact O-N 3.43Å |
| 428 | E | 44.5 | Very low | 55.3 | Low | 96 Ų | 96 | 107.2 Ų | 107.2 | 45% | 0.449 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.5 | -23.6 | -176.6 | -76.9 | -163.5 | 144.4 | 0 | 0 | 113.6 | K423 V426 S432 | K423-E428 IonicContact NZ-OE1 3.81Å; K423-E428 PolarHBondContact NZ-OE1 3.06Å; K423-E428 IonicContact NZ-OE2 2.81Å; V426-E428 PolarHBondContact O-N 3.14Å; E428-S432 WeakPolarHBondContact O-CB 3.39Å; E428-S432 PolarHBondContact O-OG 3.45Å |
| 429 | T | 51.6 | Low | 57.3 | Low | 108 Ų | 108 | 107.4 Ų | 107.4 | 66% | 0.663 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78.7 | -56.6 | -176.7 | -50.4 | 0 | 0 | 0 | 0 | 112 | S427 S432 | S427-T429 VanDerWaalsContact C-N 3.28Å; S427-T429 PolarHBondContact O-N 3.44Å; T429-S432 PolarHBondContact O-OG 2.99Å |
| 430 | F | 48.9 | Very low | 59.5 | Low | 99 Ų | 99 | 106 Ų | 106 | 43% | 0.434 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -81 | -23.5 | -175.1 | -165.3 | -93.7 | 0 | 0 | 0 | 113.8 | D406 R439 | D406-F430 HydrophobicContact CB-CE1 4.07Å; D406-F430 HydrophobicContact CB-CZ 4.48Å; F430-R439 VanDerWaalsContact CE1-NH1 3.34Å; F430-R439 PolarHBondContact O-NH2 3.12Å |
| 431 | M | 53.3 | Low | 61.9 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 50% | 0.502 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -112.6 | 13.3 | -177.1 | -65.8 | -58.5 | -170.7 | 0 | 0 | 115 | S427 | S427-M431 PolarHBondContact O-N 3.43Š|
| 432 | S | 58.8 | Low | 63.8 | Low | 44 Ų | 44 | 98.8 Ų | 98.8 | 31% | 0.308 | 53% | 0.526 | S | S | . | . | trans | -68.3 | 135 | 175.2 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | E428 T429 P434 S435 I436 | E428-S432 WeakPolarHBondContact O-CB 3.39Å; E428-S432 PolarHBondContact O-OG 3.45Å; T429-S432 PolarHBondContact O-OG 2.99Å; S432-P434 VanDerWaalsContact C-CD 3.4Å; S432-P434 VanDerWaalsContact C-N 3.29Å; S432-P434 VanDerWaalsContact O-N 3.1Å; S432-S435 PolarHBondContact O-N 2.88Å; S432-S435 PolarHBondContact O-OG 2.96Å; S432-S435 PolarHBondContact OG-OG 3.49Å; S432-I436 PolarHBondContact O-N 3.15Å | ||
| 433 | K | 57.7 | Low | 66.4 | Low | 183 Ų | 183 | 95.2 Ų | 95.2 | 80% | 0.796 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -51 | -34.5 | -177 | -67.3 | -179.4 | 179.9 | 176.1 | 0 | 115.1 | I436 A437 | K433-I436 WeakPolarHBondContact O-CG2 3.3Å; K433-A437 WeakPolarHBondContact O-CB 3.49Å; K433-A437 PolarHBondContact O-N 3.5Å |
| 434 | P | 56.2 | Low | 68.8 | Low | 101 Ų | 101 | 93.1 Ų | 93.1 | 66% | 0.656 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.2 | -33.9 | 172.7 | -21.1 | 35.3 | 0 | 0 | 0 | 114.5 | S432 K438 | S432-P434 VanDerWaalsContact C-CD 3.4Å; S432-P434 VanDerWaalsContact C-N 3.29Å; S432-P434 VanDerWaalsContact O-N 3.1Å; P434-K438 PolarHBondContact O-N 2.96Å; P434-K438 VanDerWaalsContact O-N 3.15Å |
| 435 | S | 75.8 | Confident | 71.3 | Confident | 34 Ų | 34 | 96.2 Ų | 96.2 | 24% | 0.238 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -76.9 | -37.9 | -175.9 | 83.8 | 0 | 0 | 0 | 0 | 112.3 | S432 K438 R439 | S432-S435 PolarHBondContact O-N 2.88Å; S432-S435 PolarHBondContact O-OG 2.96Å; S432-S435 PolarHBondContact OG-OG 3.49Å; S435-K438 PolarHBondContact O-N 3.5Å; S435-R439 PolarHBondContact O-N 3.34Å; S435-R439 VanDerWaalsContact O-N 3.09Å; S435-R439 PolarHBondContact O-NE 2.97Å; S435-R439 PolarHBondContact OG-NH2 3.02Å |
| 436 | I | 80.8 | Confident | 73.8 | Confident | 88 Ų | 88 | 92.3 Ų | 92.3 | 45% | 0.451 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68 | -38.9 | 174.1 | -167.9 | 171.1 | 0 | 0 | 0 | 111.6 | S432 K433 K438 R439 R440 | S432-I436 PolarHBondContact O-N 3.15Å; K433-I436 WeakPolarHBondContact O-CG2 3.3Å; I436-K438 PolarHBondContact O-N 2.73Å; I436-R439 PolarHBondContact O-N 2.65Å; I436-R440 WeakPolarHBondContact O-CB 3.32Å; I436-R440 PolarHBondContact O-N 2.86Å |
| 437 | A | 86.3 | Confident | 76.3 | Confident | 58 Ų | 58 | 90.3 Ų | 90.3 | 48% | 0.479 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K433 A441 | K433-A437 WeakPolarHBondContact O-CB 3.49Å; K433-A437 PolarHBondContact O-N 3.5Å; A437-A441 PolarHBondContact O-N 3.42Å |
| 438 | K | 90.2 | Very high | 78.8 | Confident | 168 Ų | 168 | 92.9 Ų | 92.9 | 73% | 0.73 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 176.6 | -172.2 | -177.8 | 176.4 | -171.5 | 0 | 112.4 | P434 S435 I436 A441 N442 | P434-K438 PolarHBondContact O-N 2.96Å; P434-K438 VanDerWaalsContact O-N 3.15Å; S435-K438 PolarHBondContact O-N 3.5Å; I436-K438 PolarHBondContact O-N 2.73Å; K438-A441 PolarHBondContact O-N 3.28Å; K438-N442 PolarHBondContact O-N 2.83Å; K438-N442 VanDerWaalsContact O-N 3.12Å |
| 439 | R | 86.7 | Confident | 81.4 | Confident | 95 Ų | 95 | 92.8 Ų | 92.8 | 36% | 0.358 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 174.9 | -84.6 | 176.3 | -71.8 | 167.6 | -2.6 | 111.7 | F430 S435 I436 A441 N442 Q443 | F430-R439 VanDerWaalsContact CE1-NH1 3.34Å; F430-R439 PolarHBondContact O-NH2 3.12Å; S435-R439 PolarHBondContact O-N 3.34Å; S435-R439 VanDerWaalsContact O-N 3.09Å; S435-R439 PolarHBondContact O-NE 2.97Å; S435-R439 PolarHBondContact OG-NH2 3.02Å; I436-R439 PolarHBondContact O-N 2.65Å; R439-A441 VanDerWaalsContact C-N 3.33Å; R439-A441 PolarHBondContact O-N 2.97Å; R439-N442 PolarHBondContact O-N 2.85Å; R439-N442 VanDerWaalsContact O-N 3.17Å; R439-Q443 PolarHBondContact O-N 3.2Å |
| 440 | R | 91.9 | Very high | 83.6 | Confident | 164 Ų | 164 | 89.5 Ų | 89.5 | 62% | 0.619 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.4 | -37.6 | 178.2 | -169.5 | 178 | -173.8 | -179.7 | 5.5 | 113.3 | I436 Q444 | I436-R440 WeakPolarHBondContact O-CB 3.32Å; I436-R440 PolarHBondContact O-N 2.86Å; R440-Q444 WeakPolarHBondContact O-CG 3.5Å; R440-Q444 PolarHBondContact O-N 3.35Å; R440-Q444 VanDerWaalsContact O-N 3.11Å |
| 441 | A | 93.9 | Very high | 86 | Confident | 42 Ų | 42 | 90.2 Ų | 90.2 | 35% | 0.347 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A437 K438 R439 Q443 Q444 E445 | A437-A441 PolarHBondContact O-N 3.42Å; K438-A441 PolarHBondContact O-N 3.28Å; R439-A441 VanDerWaalsContact C-N 3.33Å; R439-A441 PolarHBondContact O-N 2.97Å; A441-Q443 PolarHBondContact O-N 3.02Å; A441-Q444 PolarHBondContact O-N 2.78Å; A441-E445 WeakPolarHBondContact O-CG 3.43Å; A441-E445 PolarHBondContact O-N 3.05Å |
| 442 | N | 95.1 | Very high | 88.1 | Confident | 84 Ų | 84 | 88.4 Ų | 88.4 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.5 | -35.9 | 178 | 175.9 | -121.8 | 0 | 0 | 0 | 113.3 | K438 R439 E445 T446 | K438-N442 PolarHBondContact O-N 2.83Å; K438-N442 VanDerWaalsContact O-N 3.12Å; R439-N442 PolarHBondContact O-N 2.85Å; R439-N442 VanDerWaalsContact O-N 3.17Å; N442-E445 PolarHBondContact O-N 3.23Å; N442-T446 WeakPolarHBondContact O-CB 3.39Å; N442-T446 PolarHBondContact O-N 3.24Å; N442-T446 PolarHBondContact O-OG1 3.14Å |
| 443 | Q | 95.3 | Very high | 90 | Very high | 52 Ų | 52 | 88 Ų | 88 | 24% | 0.243 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57.8 | -50.7 | 169.2 | 179.8 | -172.1 | -6.5 | 0 | 0 | 110.8 | I401 R439 A441 E445 T446 E447 | I401-Q443 HydrophobicContact CG2-CB 4.2Å; I401-Q443 HydrophobicContact CG2-CG 4.02Å; R439-Q443 PolarHBondContact O-N 3.2Å; A441-Q443 PolarHBondContact O-N 3.02Å; Q443-E445 VanDerWaalsContact C-N 3.33Å; Q443-E445 PolarHBondContact O-N 2.88Å; Q443-T446 PolarHBondContact O-N 3.4Å; Q443-T446 VanDerWaalsContact O-N 3.14Å; Q443-E447 HydrophobicContact CG-CG 4.4Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.39Å; Q443-E447 PolarHBondContact NE2-OE1 2.65Å; Q443-E447 WeakPolarHBondContact O-CG 3.23Å; Q443-E447 PolarHBondContact O-N 2.98Å |
| 444 | Q | 97.1 | Very high | 91.9 | Very high | 102 Ų | 102 | 81.4 Ų | 81.4 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.4 | -35 | -179 | -72.4 | 177.2 | -14 | 0 | 0 | 113.1 | R440 A441 Q448 | R440-Q444 WeakPolarHBondContact O-CG 3.5Å; R440-Q444 PolarHBondContact O-N 3.35Å; R440-Q444 VanDerWaalsContact O-N 3.11Å; A441-Q444 PolarHBondContact O-N 2.78Å; Q444-Q448 WeakPolarHBondContact O-CB 3.36Å; Q444-Q448 PolarHBondContact O-N 2.95Å |
| 445 | E | 97.8 | Very high | 93.9 | Very high | 131 Ų | 131 | 82.4 Ų | 82.4 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.6 | -42.9 | 172.2 | -71.9 | 168.4 | 170 | 0 | 0 | 111.5 | A441 N442 Q443 Q448 F449 | A441-E445 WeakPolarHBondContact O-CG 3.43Å; A441-E445 PolarHBondContact O-N 3.05Å; N442-E445 PolarHBondContact O-N 3.23Å; Q443-E445 VanDerWaalsContact C-N 3.33Å; Q443-E445 PolarHBondContact O-N 2.88Å; E445-Q448 PolarHBondContact O-N 2.86Å; E445-F449 PolarHBondContact O-N 2.97Å |
| 446 | T | 97.6 | Very high | 95 | Very high | 23 Ų | 23 | 84.6 Ų | 84.6 | 14% | 0.141 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 177.1 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | T394 T397 I398 N442 Q443 Q448 F449 Y450 | T394-T446 HydrophobicContact CG2-CG2 3.69Å; T397-T446 HydrophobicContact CG2-CG2 4.25Å; I398-T446 HydrophobicContact CD1-CG2 4.33Å; I398-T446 HydrophobicContact CG1-CG2 3.75Å; N442-T446 WeakPolarHBondContact O-CB 3.39Å; N442-T446 PolarHBondContact O-N 3.24Å; N442-T446 PolarHBondContact O-OG1 3.14Å; Q443-T446 PolarHBondContact O-N 3.4Å; Q443-T446 VanDerWaalsContact O-N 3.14Å; T446-Q448 VanDerWaalsContact C-N 3.34Å; T446-Q448 PolarHBondContact O-N 2.86Å; T446-F449 PolarHBondContact O-N 3.27Å; T446-Y450 PolarHBondContact O-N 2.74Å |
| 447 | E | 97.9 | Very high | 95.8 | Very high | 59 Ų | 59 | 81.6 Ų | 81.6 | 28% | 0.276 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58 | -44.7 | 172.4 | -73 | 170.9 | -179.6 | 0 | 0 | 111.5 | I398 Q443 F449 Y450 F451 | I398-E447 HydrophobicContact CD1-CG 4.2Å; I398-E447 HydrophobicContact CG1-CG 4.45Å; Q443-E447 HydrophobicContact CG-CG 4.4Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.39Å; Q443-E447 PolarHBondContact NE2-OE1 2.65Å; Q443-E447 WeakPolarHBondContact O-CG 3.23Å; Q443-E447 PolarHBondContact O-N 2.98Å; E447-F449 VanDerWaalsContact C-N 3.32Å; E447-F449 PolarHBondContact O-N 3.16Å; E447-Y450 PolarHBondContact O-N 3.48Å; E447-F451 WeakPolarHBondContact O-CD2 3.48Å; E447-F451 PolarHBondContact O-N 3.01Å |
| 448 | Q | 98.1 | Very high | 96.4 | Very high | 117 Ų | 117 | 82.6 Ų | 82.6 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.2 | -33.6 | 178.1 | -178.4 | 55.6 | 73.6 | 0 | 0 | 112.2 | Q444 E445 T446 T452 | Q444-Q448 WeakPolarHBondContact O-CB 3.36Å; Q444-Q448 PolarHBondContact O-N 2.95Å; E445-Q448 PolarHBondContact O-N 2.86Å; T446-Q448 VanDerWaalsContact C-N 3.34Å; T446-Q448 PolarHBondContact O-N 2.86Å; Q448-T452 PolarHBondContact O-N 2.84Å; Q448-T452 PolarHBondContact O-OG1 3.28Å |
| 449 | F | 98.6 | Very high | 96.7 | Very high | 95 Ų | 95 | 81.3 Ų | 81.3 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.2 | -45.7 | 171.9 | -174.8 | -111.6 | 0 | 0 | 0 | 111.8 | T390 T394 E445 T446 E447 F451 T452 K453 | T390-F449 HydrophobicContact CG2-CE1 3.91Å; T390-F449 HydrophobicContact CG2-CZ 3.99Å; T394-F449 HydrophobicContact CG2-CD1 3.86Å; E445-F449 PolarHBondContact O-N 2.97Å; T446-F449 PolarHBondContact O-N 3.27Å; E447-F449 VanDerWaalsContact C-N 3.32Å; E447-F449 PolarHBondContact O-N 3.16Å; F449-F451 PolarHBondContact O-N 3.49Å; F449-T452 WeakPolarHBondContact O-CA 3.5Å; F449-T452 VanDerWaalsContact O-CB 3.31Å; F449-T452 WeakPolarHBondContact O-CB 3.49Å; F449-T452 PolarHBondContact O-N 2.98Å; F449-K453 HydrophobicContact CE1-CG 4.14Å; F449-K453 HydrophobicContact CE2-CG 4.28Å; F449-K453 HydrophobicContact CZ-CD 4.49Å; F449-K453 HydrophobicContact CZ-CG 3.96Å; F449-K453 PolarHBondContact O-N 2.9Å |
| 450 | Y | 98.6 | Very high | 97.3 | Very high | 38 Ų | 38 | 77.7 Ų | 77.7 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -55.7 | -49.7 | 173.9 | 168.5 | -102.3 | 0 | 0 | 0 | 112 | M391 L395 I398 T446 E447 T452 K453 M454 | M391-Y450 HydrophobicContact CG-CD2 3.86Å; M391-Y450 HydrophobicContact CG-CE2 3.66Å; L395-Y450 HydrophobicContact CB-CD2 4.12Å; L395-Y450 HydrophobicContact CB-CE2 3.83Å; L395-Y450 HydrophobicContact CD1-CE2 4.01Å; L395-Y450 HydrophobicContact CD2-CE2 4.33Å; L395-Y450 HydrophobicContact CG-CE2 4.28Å; I398-Y450 HydrophobicContact CD1-CD1 4.26Å; I398-Y450 HydrophobicContact CD1-CG 3.89Å; T446-Y450 PolarHBondContact O-N 2.74Å; E447-Y450 PolarHBondContact O-N 3.48Å; Y450-T452 PolarHBondContact O-N 3.27Å; Y450-K453 PolarHBondContact O-N 3.05Å; Y450-M454 HydrophobicContact CE2-CE 4.22Å; Y450-M454 WeakPolarHBondContact O-CB 3.37Å; Y450-M454 PolarHBondContact O-N 3.09Å; Y450-M454 WeakPolarHBondContact OH-CE 3.2Å |
| 451 | F | 98.3 | Very high | 97.5 | Very high | 114 Ų | 114 | 76.1 Ų | 76.1 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.6 | -16.3 | 176.7 | -79.2 | -62.5 | 0 | 0 | 0 | 114.1 | E447 F449 K455 | E447-F451 WeakPolarHBondContact O-CD2 3.48Å; E447-F451 PolarHBondContact O-N 3.01Å; F449-F451 PolarHBondContact O-N 3.49Å; F451-K455 VanDerWaalsContact O-CD 3.28Å; F451-K455 WeakPolarHBondContact O-CD 3.45Å; F451-K455 WeakPolarHBondContact O-CE 3.07Å; F451-K455 VanDerWaalsContact O-CG 3.31Å; F451-K455 WeakPolarHBondContact O-CG 3.45Å |
| 452 | T | 98.4 | Very high | 97.7 | Very high | 64 Ų | 64 | 78.2 Ų | 78.2 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -79.2 | -50.4 | 170.9 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | Q448 F449 Y450 M454 K455 E456 | Q448-T452 PolarHBondContact O-N 2.84Å; Q448-T452 PolarHBondContact O-OG1 3.28Å; F449-T452 WeakPolarHBondContact O-CA 3.5Å; F449-T452 VanDerWaalsContact O-CB 3.31Å; F449-T452 WeakPolarHBondContact O-CB 3.49Å; F449-T452 PolarHBondContact O-N 2.98Å; Y450-T452 PolarHBondContact O-N 3.27Å; T452-M454 PolarHBondContact O-N 2.92Å; T452-K455 PolarHBondContact O-N 2.77Å; T452-E456 PolarHBondContact O-N 2.62Å |
| 453 | K | 98.3 | Very high | 97.9 | Very high | 37 Ų | 37 | 77 Ų | 77 | 16% | 0.161 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -32.5 | 178.6 | -72 | -73.9 | 163.2 | -162.4 | 0 | 113.7 | V387 T390 M391 F449 Y450 K455 E456 Y457 | V387-K453 HydrophobicContact CG1-CD 4.02Å; T390-K453 HydrophobicContact CG2-CD 3.96Å; T390-K453 HydrophobicContact CG2-CG 4.07Å; M391-K453 HydrophobicContact CB-CB 4.04Å; F449-K453 HydrophobicContact CE1-CG 4.14Å; F449-K453 HydrophobicContact CE2-CG 4.28Å; F449-K453 HydrophobicContact CZ-CD 4.49Å; F449-K453 HydrophobicContact CZ-CG 3.96Å; F449-K453 PolarHBondContact O-N 2.9Å; Y450-K453 PolarHBondContact O-N 3.05Å; K453-K455 PolarHBondContact O-N 3.1Å; K453-E456 WeakPolarHBondContact CD-OE2 3.43Å; K453-E456 VanDerWaalsContact CE-OE2 3.31Å; K453-E456 WeakPolarHBondContact CE-OE2 3.32Å; K453-E456 IonicContact NZ-OE1 2.74Å; K453-E456 PolarHBondContact NZ-OE1 3.28Å; K453-E456 IonicContact NZ-OE2 3.6Å; K453-E456 PolarHBondContact NZ-OE2 3.21Å; K453-E456 PolarHBondContact O-N 2.77Å; K453-Y457 VanDerWaalsContact O-CB 3.3Å; K453-Y457 WeakPolarHBondContact O-CB 3.47Å; K453-Y457 PolarHBondContact O-N 3.03Å |
| 454 | M | 98.1 | Very high | 98 | Very high | 44 Ų | 44 | 75.6 Ų | 75.6 | 22% | 0.217 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 171.9 | 175.1 | 60 | 75.8 | 0 | 0 | 112.3 | M391 Y450 T452 Y457 L458 | M391-M454 HydrophobicContact CE-CE 4.17Å; M391-M454 HydrophobicContact CG-CB 4.46Å; M391-M454 HydrophobicContact CG-CE 4.44Å; M391-M454 HydrophobicContact SD-CB 4.02Å; M391-M454 HydrophobicContact SD-CE 3.43Å; M391-M454 WeakPolarHBondContact SD-CE 3.26Å; M391-M454 HydrophobicContact SD-CG 4.47Å; M391-M454 HydrophobicContact SD-SD 3.71Å; Y450-M454 HydrophobicContact CE2-CE 4.22Å; Y450-M454 WeakPolarHBondContact O-CB 3.37Å; Y450-M454 PolarHBondContact O-N 3.09Å; Y450-M454 WeakPolarHBondContact OH-CE 3.2Å; T452-M454 PolarHBondContact O-N 2.92Å; M454-Y457 HydrophobicContact SD-CD1 4.37Å; M454-L458 HydrophobicContact CG-CD1 4Å; M454-L458 WeakPolarHBondContact O-CB 3.4Å; M454-L458 WeakPolarHBondContact O-CG 3.41Å; M454-L458 PolarHBondContact O-N 3.17Å; M454-L458 HydrophobicContact SD-CD1 3.77Å; M454-L458 HydrophobicContact SD-CD2 4.5Å; M454-L458 HydrophobicContact SD-CG 3.9Å |
| 455 | K | 98.1 | Very high | 98 | Very high | 121 Ų | 121 | 74.8 Ų | 74.8 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.4 | -47.5 | 176.8 | -69.8 | 165.4 | -171.2 | 167.1 | 0 | 111.1 | F451 T452 K453 Y457 L458 E459 | F451-K455 VanDerWaalsContact O-CD 3.28Å; F451-K455 WeakPolarHBondContact O-CD 3.45Å; F451-K455 WeakPolarHBondContact O-CE 3.07Å; F451-K455 VanDerWaalsContact O-CG 3.31Å; F451-K455 WeakPolarHBondContact O-CG 3.45Å; T452-K455 PolarHBondContact O-N 2.77Å; K453-K455 PolarHBondContact O-N 3.1Å; K455-Y457 PolarHBondContact O-N 3.25Å; K455-L458 PolarHBondContact O-N 2.83Å; K455-L458 VanDerWaalsContact O-N 3.16Å; K455-E459 WeakPolarHBondContact O-CB 3.48Å; K455-E459 WeakPolarHBondContact O-CG 3.43Å; K455-E459 PolarHBondContact O-N 3.43Å |
| 456 | E | 98.1 | Very high | 98 | Very high | 80 Ų | 80 | 74.8 Ų | 74.8 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55.9 | -48.1 | 176.8 | -165.9 | -179.7 | 149.5 | 0 | 0 | 111.4 | V387 T452 K453 E459 G460 | V387-E456 HydrophobicContact CG1-CB 3.86Å; V387-E456 HydrophobicContact CG1-CG 3.82Å; V387-E456 HydrophobicContact CG2-CG 4.13Å; V387-E456 VanDerWaalsContact CG2-OE1 3.28Å; V387-E456 WeakPolarHBondContact CG2-OE1 3.37Å; T452-E456 PolarHBondContact O-N 2.62Å; K453-E456 WeakPolarHBondContact CD-OE2 3.43Å; K453-E456 VanDerWaalsContact CE-OE2 3.31Å; K453-E456 WeakPolarHBondContact CE-OE2 3.32Å; K453-E456 IonicContact NZ-OE1 2.74Å; K453-E456 PolarHBondContact NZ-OE1 3.28Å; K453-E456 IonicContact NZ-OE2 3.6Å; K453-E456 PolarHBondContact NZ-OE2 3.21Å; K453-E456 PolarHBondContact O-N 2.77Å; E456-E459 PolarHBondContact O-N 3Å; E456-G460 PolarHBondContact O-N 3.1Å |
| 457 | Y | 98.3 | Very high | 98 | Very high | 26 Ų | 26 | 74.8 Ų | 74.8 | 10% | 0.102 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 173.7 | 169.9 | -103.9 | 0 | 0 | 0 | 113.1 | N384 K388 M391 K453 M454 K455 R461 | N384-Y457 VanDerWaalsContact ND2-CD2 3.28Å; N384-Y457 WeakPolarHBondContact ND2-CD2 3.18Å; N384-Y457 VanDerWaalsContact ND2-CE2 3.26Å; N384-Y457 WeakPolarHBondContact ND2-CE2 3.2Å; N384-Y457 PolarHBondContact OD1-O 3.26Å; N384-Y457 VanDerWaalsContact OD1-O 3.07Å; K388-Y457 HydrophobicContact CB-CD2 3.66Å; K388-Y457 HydrophobicContact CB-CE2 3.67Å; K388-Y457 HydrophobicContact CD-CE2 3.86Å; K388-Y457 HydrophobicContact CG-CD2 4.1Å; K388-Y457 HydrophobicContact CG-CE2 3.69Å; M391-Y457 HydrophobicContact CE-CD1 4.1Å; M391-Y457 HydrophobicContact CE-CE1 4.32Å; M391-Y457 HydrophobicContact CE-CG 4.36Å; M391-Y457 HydrophobicContact SD-CD1 3.95Å; M391-Y457 HydrophobicContact SD-CG 4.14Å; K453-Y457 VanDerWaalsContact O-CB 3.3Å; K453-Y457 WeakPolarHBondContact O-CB 3.47Å; K453-Y457 PolarHBondContact O-N 3.03Å; M454-Y457 HydrophobicContact SD-CD1 4.37Å; K455-Y457 PolarHBondContact O-N 3.25Å; Y457-R461 WeakPolarHBondContact O-CB 3.25Å; Y457-R461 PolarHBondContact O-N 3.31Å; Y457-R461 PolarHBondContact OH-NH1 3.31Å |
| 458 | L | 97.8 | Very high | 98 | Very high | 78 Ų | 78 | 73.8 Ų | 73.8 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.5 | -36 | 178.8 | -73.7 | 172.2 | 0 | 0 | 0 | 111.8 | M454 K455 N462 | M454-L458 HydrophobicContact CG-CD1 4Å; M454-L458 WeakPolarHBondContact O-CB 3.4Å; M454-L458 WeakPolarHBondContact O-CG 3.41Å; M454-L458 PolarHBondContact O-N 3.17Å; M454-L458 HydrophobicContact SD-CD1 3.77Å; M454-L458 HydrophobicContact SD-CD2 4.5Å; M454-L458 HydrophobicContact SD-CG 3.9Å; K455-L458 PolarHBondContact O-N 2.83Å; K455-L458 VanDerWaalsContact O-N 3.16Å; L458-N462 WeakPolarHBondContact O-CB 3.38Å; L458-N462 VanDerWaalsContact O-CG 3.24Å; L458-N462 PolarHBondContact O-N 3.14Å; L458-N462 PolarHBondContact O-ND2 2.9Å |
| 459 | E | 97.8 | Very high | 97.9 | Very high | 142 Ų | 142 | 71.4 Ų | 71.4 | 66% | 0.664 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.4 | -45.9 | 175.9 | -74 | 179.1 | -159.1 | 0 | 0 | 111.7 | K455 E456 N462 L463 | K455-E459 WeakPolarHBondContact O-CB 3.48Å; K455-E459 WeakPolarHBondContact O-CG 3.43Å; K455-E459 PolarHBondContact O-N 3.43Å; E456-E459 PolarHBondContact O-N 3Å; E459-N462 PolarHBondContact O-N 2.87Å; E459-L463 PolarHBondContact O-N 3.07Å |
| 460 | G | 97.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 73.4 Ų | 73.4 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.5 | -50.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N384 E456 N462 L463 I464 | N384-G460 VanDerWaalsContact OD1-CA 3.25Å; N384-G460 WeakPolarHBondContact OD1-CA 3.1Å; E456-G460 PolarHBondContact O-N 3.1Å; G460-N462 VanDerWaalsContact C-N 3.32Å; G460-N462 PolarHBondContact O-N 3.49Å; G460-L463 WeakPolarHBondContact O-CB 3.28Å; G460-L463 PolarHBondContact O-N 3.22Å; G460-I464 WeakPolarHBondContact O-CG1 3.45Å; G460-I464 PolarHBondContact O-N 3.32Å |
| 461 | R | 97.8 | Very high | 97.6 | Very high | 131 Ų | 131 | 72.3 Ų | 72.3 | 49% | 0.494 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 175.7 | -175.5 | 174.7 | 179.8 | 173.1 | -4 | 111.7 | N384 Y457 L463 I464 T465 | N384-R461 PolarHBondContact OD1-N 3.33Å; Y457-R461 WeakPolarHBondContact O-CB 3.25Å; Y457-R461 PolarHBondContact O-N 3.31Å; Y457-R461 PolarHBondContact OH-NH1 3.31Å; R461-L463 VanDerWaalsContact C-N 3.29Å; R461-L463 PolarHBondContact O-N 3.31Å; R461-I464 PolarHBondContact O-N 2.92Å; R461-T465 PolarHBondContact O-N 3.18Å; R461-T465 PolarHBondContact O-OG1 3.48Å |
| 462 | N | 97.6 | Very high | 97.4 | Very high | 85 Ų | 85 | 70.7 Ų | 70.7 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -34.4 | 175.5 | -89.4 | -56.4 | 0 | 0 | 0 | 112.9 | L458 E459 G460 K466 | L458-N462 WeakPolarHBondContact O-CB 3.38Å; L458-N462 VanDerWaalsContact O-CG 3.24Å; L458-N462 PolarHBondContact O-N 3.14Å; L458-N462 PolarHBondContact O-ND2 2.9Å; E459-N462 PolarHBondContact O-N 2.87Å; G460-N462 VanDerWaalsContact C-N 3.32Å; G460-N462 PolarHBondContact O-N 3.49Å; N462-K466 WeakPolarHBondContact O-CD 3.31Å; N462-K466 VanDerWaalsContact O-CE 3.27Å; N462-K466 WeakPolarHBondContact O-CE 3.29Å; N462-K466 WeakPolarHBondContact O-CG 3.27Å |
| 463 | L | 97.9 | Very high | 97.3 | Very high | 60 Ų | 60 | 72.1 Ų | 72.1 | 31% | 0.314 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.9 | -45.3 | 173.8 | -178.4 | 59.1 | 0 | 0 | 0 | 111.3 | L380 E459 G460 R461 T465 K466 L467 | L380-L463 HydrophobicContact CD1-CD2 3.72Å; L380-L463 HydrophobicContact CD1-CG 3.96Å; L380-L463 HydrophobicContact CD2-CD2 4.05Å; E459-L463 PolarHBondContact O-N 3.07Å; G460-L463 WeakPolarHBondContact O-CB 3.28Å; G460-L463 PolarHBondContact O-N 3.22Å; R461-L463 VanDerWaalsContact C-N 3.29Å; R461-L463 PolarHBondContact O-N 3.31Å; L463-T465 PolarHBondContact O-N 3.12Å; L463-K466 PolarHBondContact O-N 2.82Å; L463-L467 HydrophobicContact CD1-CD1 3.97Å; L463-L467 HydrophobicContact CD1-CG 4.07Å; L463-L467 HydrophobicContact CG-CD1 4Å; L463-L467 HydrophobicContact CG-CG 4.44Å; L463-L467 WeakPolarHBondContact O-CG 3.42Å; L463-L467 PolarHBondContact O-N 3Å |
| 464 | I | 97.9 | Very high | 97.1 | Very high | 21 Ų | 21 | 71 Ų | 71 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.5 | -51.3 | 177.9 | -67.3 | 163.7 | 0 | 0 | 0 | 110.5 | L377 L380 K381 N384 G460 R461 K466 L467 Q468 | L377-I464 HydrophobicContact CD2-CG2 4.07Å; L380-I464 HydrophobicContact CB-CD1 4.34Å; L380-I464 HydrophobicContact CB-CG1 3.89Å; K381-I464 HydrophobicContact CG-CD1 4.3Å; K381-I464 HydrophobicContact CG-CG2 4.24Å; N384-I464 HydrophobicContact CB-CD1 3.54Å; G460-I464 WeakPolarHBondContact O-CG1 3.45Å; G460-I464 PolarHBondContact O-N 3.32Å; R461-I464 PolarHBondContact O-N 2.92Å; I464-K466 VanDerWaalsContact C-N 3.3Å; I464-K466 PolarHBondContact O-N 3.35Å; I464-L467 PolarHBondContact O-N 3.06Å; I464-L467 VanDerWaalsContact O-N 3.13Å; I464-Q468 WeakPolarHBondContact O-CB 3.31Å; I464-Q468 PolarHBondContact O-N 3.25Å |
| 465 | T | 97.5 | Very high | 96.8 | Very high | 86 Ų | 86 | 73.5 Ų | 73.5 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.3 | -40.6 | 179 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | R461 L463 A469 | R461-T465 PolarHBondContact O-N 3.18Å; R461-T465 PolarHBondContact O-OG1 3.48Å; L463-T465 PolarHBondContact O-N 3.12Å; T465-A469 WeakPolarHBondContact O-CB 3.37Å; T465-A469 PolarHBondContact O-N 2.91Å; T465-A469 VanDerWaalsContact O-N 3.16Å |
| 466 | K | 97.4 | Very high | 96.4 | Very high | 130 Ų | 130 | 74.5 Ų | 74.5 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.1 | -31.2 | 178.8 | -69.4 | 165.4 | -164.4 | 166.9 | 0 | 113.5 | N462 L463 I464 K470 | N462-K466 WeakPolarHBondContact O-CD 3.31Å; N462-K466 VanDerWaalsContact O-CE 3.27Å; N462-K466 WeakPolarHBondContact O-CE 3.29Å; N462-K466 WeakPolarHBondContact O-CG 3.27Å; L463-K466 PolarHBondContact O-N 2.82Å; I464-K466 VanDerWaalsContact C-N 3.3Å; I464-K466 PolarHBondContact O-N 3.35Å; K466-K470 WeakPolarHBondContact O-CG 3.28Å |
| 467 | L | 97.9 | Very high | 96 | Very high | 23 Ų | 23 | 72.1 Ų | 72.1 | 12% | 0.12 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -85.2 | -40.5 | 178.1 | -64.5 | -180 | 0 | 0 | 0 | 111.5 | L373 R376 L377 L380 L463 I464 K470 H471 | L373-L467 HydrophobicContact CD2-CB 4.3Å; L373-L467 HydrophobicContact CD2-CD2 3.75Å; R376-L467 HydrophobicContact CG-CD1 4.33Å; L377-L467 HydrophobicContact CD1-CB 4.44Å; L377-L467 HydrophobicContact CD2-CB 3.82Å; L377-L467 HydrophobicContact CG-CB 4.07Å; L380-L467 HydrophobicContact CD1-CD1 3.65Å; L463-L467 HydrophobicContact CD1-CD1 3.97Å; L463-L467 HydrophobicContact CD1-CG 4.07Å; L463-L467 HydrophobicContact CG-CD1 4Å; L463-L467 HydrophobicContact CG-CG 4.44Å; L463-L467 WeakPolarHBondContact O-CG 3.42Å; L463-L467 PolarHBondContact O-N 3Å; I464-L467 PolarHBondContact O-N 3.06Å; I464-L467 VanDerWaalsContact O-N 3.13Å; L467-K470 PolarHBondContact O-N 3.33Å; L467-H471 PolarHBondContact O-N 3.39Å |
| 468 | Q | 96.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 71.9 Ų | 71.9 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 179 | -170 | 67.6 | 64.8 | 0 | 0 | 111 | L377 I464 K470 H471 D472 | L377-Q468 HydrophobicContact CD1-CB 4.45Å; L377-Q468 HydrophobicContact CD2-CB 4.08Å; I464-Q468 WeakPolarHBondContact O-CB 3.31Å; I464-Q468 PolarHBondContact O-N 3.25Å; Q468-K470 PolarHBondContact O-N 2.65Å; Q468-K470 VanDerWaalsContact O-N 3.13Å; Q468-H471 WeakPolarHBondContact O-CB 3.27Å; Q468-H471 PolarHBondContact O-N 3.1Å; Q468-H471 VanDerWaalsContact O-N 3.1Å; Q468-D472 WeakPolarHBondContact CG-OD2 3.39Å; Q468-D472 VanDerWaalsContact NE2-CG 3.32Å; Q468-D472 PolarHBondContact NE2-OD1 2.77Å; Q468-D472 PolarHBondContact NE2-OD2 2.67Å; Q468-D472 PolarHBondContact O-N 3.04Å |
| 469 | A | 96.2 | Very high | 93.7 | Very high | 67 Ų | 67 | 69.9 Ų | 69.9 | 55% | 0.554 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60 | -27.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T465 | T465-A469 WeakPolarHBondContact O-CB 3.37Å; T465-A469 PolarHBondContact O-N 2.91Å; T465-A469 VanDerWaalsContact O-N 3.16Å |
| 470 | K | 96.1 | Very high | 91.6 | Very high | 137 Ų | 137 | 70 Ų | 70 | 60% | 0.596 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -81.4 | -40.9 | 174.5 | -69.1 | -179.3 | -179.6 | -174.8 | 0 | 112.1 | L373 K466 L467 Q468 L474 | L373-K470 HydrophobicContact CD1-CB 4.22Å; K466-K470 WeakPolarHBondContact O-CG 3.28Å; L467-K470 PolarHBondContact O-N 3.33Å; Q468-K470 PolarHBondContact O-N 2.65Å; Q468-K470 VanDerWaalsContact O-N 3.13Å; K470-L474 WeakPolarHBondContact O-CD1 3.44Å; K470-L474 WeakPolarHBondContact O-CG 3.39Å; K470-L474 PolarHBondContact O-N 2.87Å |
| 471 | H | 96.1 | Very high | 89 | Confident | 15 Ų | 15 | 71.9 Ų | 71.9 | 7% | 0.069 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 173.3 | 171.7 | -89.8 | 0 | 0 | 0 | 110.7 | L373 Q374 L377 L467 Q468 L473 L474 Q475 | L373-H471 HydrophobicContact CB-CB 4.18Å; Q374-H471 PolarHBondContact OE1-NE2 2.97Å; L377-H471 HydrophobicContact CD1-CB 3.63Å; L467-H471 PolarHBondContact O-N 3.39Å; Q468-H471 WeakPolarHBondContact O-CB 3.27Å; Q468-H471 PolarHBondContact O-N 3.1Å; Q468-H471 VanDerWaalsContact O-N 3.1Å; H471-L473 VanDerWaalsContact C-N 3.33Å; H471-L473 PolarHBondContact O-N 2.7Å; H471-L474 WeakPolarHBondContact O-CB 3.31Å; H471-L474 PolarHBondContact O-N 2.97Å; H471-L474 VanDerWaalsContact O-N 3.12Å; H471-Q475 VanDerWaalsContact O-CB 3.29Å; H471-Q475 WeakPolarHBondContact O-CB 3.43Å; H471-Q475 PolarHBondContact O-N 3.36Å |
| 472 | D | 94.5 | Very high | 86.2 | Confident | 79 Ų | 79 | 74.2 Ų | 74.2 | 42% | 0.422 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.7 | -32 | -171.6 | -59.7 | -19.2 | 0 | 0 | 0 | 112.5 | Q468 K476 | Q468-D472 WeakPolarHBondContact CG-OD2 3.39Å; Q468-D472 VanDerWaalsContact NE2-CG 3.32Å; Q468-D472 PolarHBondContact NE2-OD1 2.77Å; Q468-D472 PolarHBondContact NE2-OD2 2.67Å; Q468-D472 PolarHBondContact O-N 3.04Å; D472-K476 VanDerWaalsContact O-CB 3.26Å; D472-K476 WeakPolarHBondContact O-CB 3.44Å; D472-K476 PolarHBondContact O-N 3.45Å |
| 473 | L | 95 | Very high | 83.3 | Confident | 94 Ų | 94 | 79.7 Ų | 79.7 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 171.6 | -173.3 | 65.1 | 0 | 0 | 0 | 111.7 | L356 H471 T477 | L356-L473 HydrophobicContact CD1-CD2 4.07Å; L356-L473 HydrophobicContact CD1-CG 3.8Å; L356-L473 HydrophobicContact CG-CD2 4.25Å; L356-L473 HydrophobicContact CG-CG 4.28Å; H471-L473 VanDerWaalsContact C-N 3.33Å; H471-L473 PolarHBondContact O-N 2.7Å; L473-T477 PolarHBondContact O-N 3.41Å; L473-T477 PolarHBondContact O-OG1 2.79Å; L473-T477 VanDerWaalsContact O-OG1 3.12Å |
| 474 | L | 93.8 | Very high | 80.2 | Confident | 15 Ų | 15 | 83.4 Ų | 83.4 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 175.2 | -72.5 | 164.8 | 0 | 0 | 0 | 111.4 | L356 L366 C370 L373 K470 H471 K476 T477 L478 | L356-L474 HydrophobicContact CD1-CD2 3.83Å; L356-L474 HydrophobicContact CD1-CG 4.32Å; L366-L474 HydrophobicContact CB-CD2 4.19Å; L366-L474 HydrophobicContact CD2-CD2 3.79Å; L366-L474 HydrophobicContact CG-CD2 4.39Å; C370-L474 HydrophobicContact CB-CB 4.2Å; L373-L474 HydrophobicContact CD1-CD1 3.62Å; K470-L474 WeakPolarHBondContact O-CD1 3.44Å; K470-L474 WeakPolarHBondContact O-CG 3.39Å; K470-L474 PolarHBondContact O-N 2.87Å; H471-L474 WeakPolarHBondContact O-CB 3.31Å; H471-L474 PolarHBondContact O-N 2.97Å; H471-L474 VanDerWaalsContact O-N 3.12Å; L474-K476 VanDerWaalsContact C-N 3.27Å; L474-K476 PolarHBondContact O-N 2.92Å; L474-T477 PolarHBondContact O-N 3.26Å; L474-T477 VanDerWaalsContact O-N 3.15Å; L474-L478 HydrophobicContact CB-CD1 4.33Å; L474-L478 VanDerWaalsContact O-CB 3.32Å; L474-L478 WeakPolarHBondContact O-CB 3.34Å; L474-L478 VanDerWaalsContact O-CG 3.24Å; L474-L478 WeakPolarHBondContact O-CG 3.32Å; L474-L478 PolarHBondContact O-N 3.49Å |
| 475 | Q | 92.4 | Very high | 76.9 | Confident | 96 Ų | 96 | 89.9 Ų | 89.9 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 179.9 | -175.3 | 60.4 | 34.4 | 0 | 0 | 111.5 | H471 G479 | H471-Q475 VanDerWaalsContact O-CB 3.29Å; H471-Q475 WeakPolarHBondContact O-CB 3.43Å; H471-Q475 PolarHBondContact O-N 3.36Å; Q475-G479 WeakPolarHBondContact O-CA 3.41Å; Q475-G479 PolarHBondContact O-N 3.02Å |
| 476 | K | 90.8 | Very high | 73.5 | Confident | 141 Ų | 141 | 91.5 Ų | 91.5 | 61% | 0.613 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.3 | -50.8 | 172.5 | -176.3 | -179.8 | 177.2 | -175 | 0 | 111.8 | D472 L474 | D472-K476 VanDerWaalsContact O-CB 3.26Å; D472-K476 WeakPolarHBondContact O-CB 3.44Å; D472-K476 PolarHBondContact O-N 3.45Å; L474-K476 VanDerWaalsContact C-N 3.27Å; L474-K476 PolarHBondContact O-N 2.92Å |
| 477 | T | 88.7 | Confident | 70 | Confident | 31 Ų | 31 | 90.9 Ų | 90.9 | 19% | 0.19 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -69.1 | -36 | -178.1 | -51.7 | 0 | 0 | 0 | 0 | 112.7 | L356 A358 L473 L474 | L356-T477 HydrophobicContact CB-CG2 4.02Å; L356-T477 WeakPolarHBondContact O-CG2 3.22Å; A358-T477 HydrophobicContact CB-CG2 3.63Å; L473-T477 PolarHBondContact O-N 3.41Å; L473-T477 PolarHBondContact O-OG1 2.79Å; L473-T477 VanDerWaalsContact O-OG1 3.12Å; L474-T477 PolarHBondContact O-N 3.26Å; L474-T477 VanDerWaalsContact O-N 3.15Å |
| 478 | L | 85.1 | Confident | 66.8 | Low | 20 Ų | 20 | 98.2 Ų | 98.2 | 11% | 0.105 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -83.5 | -33.1 | -177 | -64.1 | 170.4 | 0 | 0 | 0 | 112.7 | A358 Q363 L366 V367 C370 L474 E480 S481 | A358-L478 HydrophobicContact CB-CD2 4Å; Q363-L478 HydrophobicContact CG-CD2 4.26Å; L366-L478 HydrophobicContact CB-CD1 4.2Å; L366-L478 HydrophobicContact CB-CD2 4.16Å; L366-L478 WeakPolarHBondContact O-CD1 3.28Å; V367-L478 HydrophobicContact CG2-CD1 4.09Å; V367-L478 HydrophobicContact CG2-CD2 3.88Å; V367-L478 HydrophobicContact CG2-CG 4.47Å; C370-L478 HydrophobicContact CB-CD1 3.83Å; L474-L478 HydrophobicContact CB-CD1 4.33Å; L474-L478 VanDerWaalsContact O-CB 3.32Å; L474-L478 WeakPolarHBondContact O-CB 3.34Å; L474-L478 VanDerWaalsContact O-CG 3.24Å; L474-L478 WeakPolarHBondContact O-CG 3.32Å; L474-L478 PolarHBondContact O-N 3.49Å; L478-E480 PolarHBondContact O-N 3.14Å; L478-S481 WeakPolarHBondContact O-CB 3.4Å; L478-S481 PolarHBondContact O-N 2.88Å |
| 479 | G | 63 | Low | 63.6 | Low | 37 Ų | 37 | 100.5 Ų | 100.5 | 38% | 0.381 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.2 | -21.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q475 | Q475-G479 WeakPolarHBondContact O-CA 3.41Å; Q475-G479 PolarHBondContact O-N 3.02Å |
| 480 | E | 52.7 | Low | 60.4 | Low | 143 Ų | 143 | 107.8 Ų | 107.8 | 67% | 0.668 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -78.8 | -18.8 | 173.2 | -68 | 176.6 | 178.9 | 0 | 0 | 112.5 | L478 Q482 | L478-E480 PolarHBondContact O-N 3.14Å; E480-Q482 VanDerWaalsContact C-N 3.34Å; E480-Q482 PolarHBondContact O-N 2.9Å |
| 481 | S | 42.8 | Very low | 57.4 | Low | 60 Ų | 60 | 112.9 Ų | 112.9 | 42% | 0.42 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -80.7 | -4.3 | -176.9 | -61.9 | 0 | 0 | 0 | 0 | 115.2 | Q363 L478 | Q363-S481 PolarHBondContact NE2-OG 3.04Å; L478-S481 WeakPolarHBondContact O-CB 3.4Å; L478-S481 PolarHBondContact O-N 2.88Å |
| 482 | Q | 39.6 | Very low | 54.1 | Low | 180 Ų | 180 | 117 Ų | 117 | 84% | 0.841 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -116.7 | 21.7 | -171.7 | -147.1 | 174.2 | 25.8 | 0 | 0 | 113.5 | E480 | E480-Q482 VanDerWaalsContact C-N 3.34Å; E480-Q482 PolarHBondContact O-N 2.9Å |
| 483 | R | 35.9 | Very low | 51 | Low | 200 Ų | 200 | 118.3 Ų | 118.3 | 76% | 0.755 | 63% | 0.626 | S | S | * | * | trans | -137.1 | 72.7 | -178.6 | -69.3 | -171.2 | 176 | -154.3 | -3.3 | 113 | ||||
| 484 | T | 33.5 | Very low | 47.9 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 84% | 0.84 | 63% | 0.632 | S | S | * | * | trans | -124.6 | 58.1 | 160.8 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 485 | D | 29.3 | Very low | 45.1 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 84% | 0.84 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -158.7 | 162.9 | 130.1 | -97.5 | -33.2 | 0 | 0 | 0 | 109.1 | ||
| 486 | C | 25.1 | Very low | 42.2 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 65.9 | 102.2 | -173 | -65.3 | 0 | 0 | 0 | 0 | 117.1 | ||
| 487 | S | 25.6 | Very low | 39.5 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | 71.8 | 104.9 | 142.3 | -52.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 488 | L | 29.9 | Very low | 36.9 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 93% | 0.927 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -55.4 | 141.2 | 145.8 | -65.3 | 165.1 | 0 | 0 | 0 | 109.7 | ||
| 489 | A | 28.6 | Very low | 34.3 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | cis | -148.7 | 142.3 | -7.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 490 | R | 29.6 | Very low | 33.3 | Very low | 221 Ų | 221 | 147.1 Ų | 147.1 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -128.1 | 93.2 | 169.6 | -147 | -178.7 | 87.8 | 152 | 7.4 | 109.8 | ||||
| 491 | R | 32.9 | Very low | 33 | Very low | 244 Ų | 244 | 145.3 Ų | 145.3 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -86.1 | 127.6 | 177.1 | -92.2 | -172.9 | 169.8 | 179.7 | -1.9 | 111.3 | ||||
| 492 | S | 28.4 | Very low | 33.7 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | 40.4 | 102.3 | 158.9 | -150.7 | 0 | 0 | 0 | 0 | 117.6 | T494 | S492-T494 PolarHBondContact O-N 3.42Š| ||
| 493 | S | 28.7 | Very low | 35.4 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -69.7 | 85.8 | 148.7 | 52.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 494 | T | 30.5 | Very low | 37.7 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 61% | 0.607 | 72% | 0.717 | S | S | * | * | trans | -57.3 | 145.2 | 150.5 | 41.3 | 0 | 0 | 0 | 0 | 108.1 | S492 R496 | S492-T494 PolarHBondContact O-N 3.42Å; T494-R496 VanDerWaalsContact C-N 3.32Å; T494-R496 PolarHBondContact O-N 2.94Å | ||
| 495 | V | 34 | Very low | 40.5 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 87% | 0.873 | 69% | 0.687 | S | S | * | * | trans | -65.1 | 103.4 | 159.7 | 174.5 | 0 | 0 | 0 | 0 | 105.6 | K497 | V495-K497 PolarHBondContact O-N 2.92Š| ||
| 496 | R | 31.6 | Very low | 43.3 | Very low | 195 Ų | 195 | 122 Ų | 122 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | trans | -63.2 | 102.2 | 166.3 | -83.8 | -175.5 | 167.6 | 149.3 | 3.3 | 107.6 | T494 D499 | T494-R496 VanDerWaalsContact C-N 3.32Å; T494-R496 PolarHBondContact O-N 2.94Å; R496-D499 WeakPolarHBondContact CD-OD2 3.13Å; R496-D499 IonicContact CZ-OD2 2.86Å; R496-D499 IonicContact NE-OD2 3.8Å; R496-D499 PolarHBondContact NE-OD2 2.79Å | ||
| 497 | K | 33.1 | Very low | 46.4 | Very low | 184 Ų | 184 | 117.3 Ų | 117.3 | 80% | 0.8 | 63% | 0.629 | S | S | * | * | trans | -45.5 | 141.3 | 132.8 | -70.7 | -174.3 | 170.2 | -167.2 | 0 | 106.7 | V495 D499 | V495-K497 PolarHBondContact O-N 2.92Å; K497-D499 PolarHBondContact O-N 3.45Å | ||
| 498 | Q | 35.9 | Very low | 49.6 | Very low | 195 Ų | 195 | 111.7 Ų | 111.7 | 91% | 0.911 | 59% | 0.59 | S | S | * | * | trans | -52.3 | 107.9 | 175.5 | -73.9 | 170.2 | -28.3 | 0 | 0 | 109 | S500 | Q498-S500 PolarHBondContact O-N 2.98Š| ||
| 499 | D | 29.6 | Very low | 52.5 | Low | 94 Ų | 94 | 106.9 Ų | 106.9 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | trans | -64.5 | 124.1 | 173.6 | -73.3 | -49.1 | 0 | 0 | 0 | 106 | R496 K497 S501 | R496-D499 WeakPolarHBondContact CD-OD2 3.13Å; R496-D499 IonicContact CZ-OD2 2.86Å; R496-D499 IonicContact NE-OD2 3.8Å; R496-D499 PolarHBondContact NE-OD2 2.79Å; K497-D499 PolarHBondContact O-N 3.45Å; D499-S501 PolarHBondContact O-N 3.42Å; D499-S501 PolarHBondContact O-OG 2.97Å | ||
| 500 | S | 42 | Very low | 55.5 | Low | 129 Ų | 129 | 103 Ų | 103 | 90% | 0.902 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 49.3 | -170.9 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | Q498 | Q498-S500 PolarHBondContact O-N 2.98Š|
| 501 | S | 45.8 | Very low | 58.5 | Low | 105 Ų | 105 | 92.4 Ų | 92.4 | 73% | 0.734 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | -9.4 | -172.4 | 51 | 0 | 0 | 0 | 0 | 113.9 | D499 | D499-S501 PolarHBondContact O-N 3.42Å; D499-S501 PolarHBondContact O-OG 2.97Å |
| 502 | Q | 59 | Low | 61.4 | Low | 115 Ų | 115 | 80.8 Ų | 80.8 | 54% | 0.537 | 45% | 0.447 | S | S | . | . | trans | -87 | 120.9 | 155.9 | -80.9 | -177.4 | -64.6 | 0 | 0 | 108.1 | I504 | Q502-I504 VanDerWaalsContact C-N 3.27Å; Q502-I504 PolarHBondContact O-N 3.34Å | ||
| 503 | A | 73.9 | Confident | 64.4 | Low | 33 Ų | 33 | 78.9 Ų | 78.9 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -79.3 | -10.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I614 P688 | A503-I614 HydrophobicContact CB-CG2 4.37Å; A503-P688 HydrophobicContact CB-CG 4.08Å |
| 504 | I | 85.6 | Confident | 67.4 | Low | 5 Ų | 5 | 73.8 Ų | 73.8 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -130.4 | 136.2 | 171.8 | -61.9 | 179.1 | 0 | 0 | 0 | 107.1 | Q502 V508 E509 I614 Y618 P688 | Q502-I504 VanDerWaalsContact C-N 3.27Å; Q502-I504 PolarHBondContact O-N 3.34Å; I504-V508 HydrophobicContact CG2-CB 3.96Å; I504-V508 HydrophobicContact CG2-CG1 3.94Å; I504-E509 HydrophobicContact CG2-CB 4.13Å; I504-I614 HydrophobicContact CG1-CG2 4.22Å; I504-Y618 HydrophobicContact CD1-CD1 3.88Å; I504-Y618 HydrophobicContact CD1-CD2 3.21Å; I504-Y618 HydrophobicContact CD1-CE1 4.25Å; I504-Y618 HydrophobicContact CD1-CE2 3.65Å; I504-Y618 HydrophobicContact CD1-CG 3.34Å; I504-P688 HydrophobicContact CD1-CB 3.78Å; I504-P688 HydrophobicContact CD1-CG 4.33Å; I504-P688 HydrophobicContact CG1-CB 4.41Å; I504-P688 HydrophobicContact CG1-CG 4.45Å |
| 505 | P | 90.6 | Very high | 70.4 | Confident | 32 Ų | 32 | 69.1 Ų | 69.1 | 21% | 0.208 | 36% | 0.359 | C | S | . | . | trans | -64.6 | 138.3 | 175.2 | -20.7 | 32.8 | 0 | 0 | 0 | 112 | V507 V508 E509 Y568 I615 | P505-V507 PolarHBondContact O-N 2.91Å; P505-V507 VanDerWaalsContact O-N 3.1Å; P505-V508 HydrophobicContact CB-CG2 4.24Å; P505-V508 HydrophobicContact CG-CG2 4.28Å; P505-V508 WeakPolarHBondContact O-CA 3.26Å; P505-V508 WeakPolarHBondContact O-CB 3.3Å; P505-V508 PolarHBondContact O-N 2.99Å; P505-E509 PolarHBondContact O-N 2.97Å; P505-Y568 HydrophobicContact CB-CE1 4.32Å; P505-Y568 WeakPolarHBondContact CB-OH 3.31Å; P505-Y568 HydrophobicContact CG-CE1 4.22Å; P505-Y568 VanDerWaalsContact CG-OH 3.22Å; P505-Y568 WeakPolarHBondContact CG-OH 3.18Å; P505-I615 HydrophobicContact CG-CD1 4.2Å | ||
| 506 | L | 88.2 | Confident | 73.1 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52.3 | -36.4 | -178.8 | -179.2 | 61 | 0 | 0 | 0 | 113.7 | V508 E509 S510 F542 D547 | L506-V508 PolarHBondContact O-N 2.74Å; L506-E509 PolarHBondContact O-N 3.11Å; L506-S510 WeakPolarHBondContact O-CB 3.44Å; L506-S510 PolarHBondContact O-N 3.23Å; L506-F542 HydrophobicContact CG-CE1 4.4Å; L506-D547 HydrophobicContact CD2-CB 4.29Å |
| 507 | V | 91.2 | Very high | 75.8 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 13% | 0.127 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 175.7 | -166.3 | 0 | 0 | 0 | 0 | 111.3 | P505 C511 F542 V564 Y568 | P505-V507 PolarHBondContact O-N 2.91Å; P505-V507 VanDerWaalsContact O-N 3.1Å; V507-C511 WeakPolarHBondContact O-CB 3.42Å; V507-C511 PolarHBondContact O-N 2.8Å; V507-C511 PolarHBondContact O-SG 2.96Å; V507-F542 HydrophobicContact CB-CG 4.39Å; V507-F542 HydrophobicContact CG1-CD2 3.9Å; V507-F542 HydrophobicContact CG1-CE2 4.12Å; V507-F542 HydrophobicContact CG1-CG 4.21Å; V507-F542 HydrophobicContact CG2-CB 3.77Å; V507-F542 HydrophobicContact CG2-CD1 3.98Å; V507-F542 HydrophobicContact CG2-CD2 4.34Å; V507-F542 HydrophobicContact CG2-CG 3.79Å; V507-V564 HydrophobicContact CG1-CG1 4.02Å; V507-Y568 HydrophobicContact CB-CD2 4.05Å; V507-Y568 HydrophobicContact CB-CE2 4.32Å; V507-Y568 HydrophobicContact CB-CG 4.38Å; V507-Y568 HydrophobicContact CG1-CD2 4.09Å; V507-Y568 HydrophobicContact CG1-CG 4.23Å; V507-Y568 HydrophobicContact CG2-CD2 4.16Å; V507-Y568 HydrophobicContact CG2-CE2 4.19Å |
| 508 | V | 92.5 | Very high | 78.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.6 | -45.1 | 179.3 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | I504 P505 L506 I512 L565 Y568 F569 | I504-V508 HydrophobicContact CG2-CB 3.96Å; I504-V508 HydrophobicContact CG2-CG1 3.94Å; P505-V508 HydrophobicContact CB-CG2 4.24Å; P505-V508 HydrophobicContact CG-CG2 4.28Å; P505-V508 WeakPolarHBondContact O-CA 3.26Å; P505-V508 WeakPolarHBondContact O-CB 3.3Å; P505-V508 PolarHBondContact O-N 2.99Å; L506-V508 PolarHBondContact O-N 2.74Å; V508-I512 HydrophobicContact CG1-CD1 3.71Å; V508-I512 WeakPolarHBondContact O-CB 3.26Å; V508-I512 VanDerWaalsContact O-CG1 3.27Å; V508-I512 WeakPolarHBondContact O-CG1 3.19Å; V508-I512 PolarHBondContact O-N 3.3Å; V508-L565 HydrophobicContact CB-CD1 4.45Å; V508-L565 HydrophobicContact CG1-CD1 4.43Å; V508-L565 HydrophobicContact CG2-CD1 4.34Å; V508-Y568 HydrophobicContact CG2-CD1 3.51Å; V508-Y568 HydrophobicContact CG2-CE1 3.39Å; V508-F569 HydrophobicContact CG1-CZ 3.97Å; V508-F569 HydrophobicContact CG2-CE1 4.25Å; V508-F569 HydrophobicContact CG2-CE2 4.27Å; V508-F569 HydrophobicContact CG2-CZ 3.72Å |
| 509 | E | 91.3 | Very high | 80.9 | Confident | 75 Ų | 75 | 44.9 Ų | 44.9 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63 | -50.8 | -180 | -174.5 | 169.7 | -157.3 | 0 | 0 | 112.1 | I504 P505 L506 R513 | I504-E509 HydrophobicContact CG2-CB 4.13Å; P505-E509 PolarHBondContact O-N 2.97Å; L506-E509 PolarHBondContact O-N 3.11Å; E509-R513 WeakPolarHBondContact O-CB 3.36Å; E509-R513 PolarHBondContact O-N 2.68Å |
| 510 | S | 90.9 | Very high | 83.9 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.6 | -37 | -177.1 | -82.7 | 0 | 0 | 0 | 0 | 113.8 | L506 R513 F514 D547 | L506-S510 WeakPolarHBondContact O-CB 3.44Å; L506-S510 PolarHBondContact O-N 3.23Å; S510-R513 PolarHBondContact OG-NH2 3.33Å; S510-F514 WeakPolarHBondContact O-CB 3.3Å; S510-F514 PolarHBondContact O-N 3.24Å; S510-D547 WeakPolarHBondContact CB-OD2 3.47Å; S510-D547 PolarHBondContact OG-OD2 2.69Å |
| 511 | C | 93.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 172.3 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | V507 F514 I515 I561 L565 | V507-C511 WeakPolarHBondContact O-CB 3.42Å; V507-C511 PolarHBondContact O-N 2.8Å; V507-C511 PolarHBondContact O-SG 2.96Å; C511-F514 PolarHBondContact O-N 2.77Å; C511-I515 WeakPolarHBondContact O-CG1 3.49Å; C511-I515 PolarHBondContact O-N 2.91Å; C511-I561 HydrophobicContact CB-CG2 4.19Å; C511-L565 HydrophobicContact CB-CB 4.06Å; C511-L565 HydrophobicContact CB-CD1 4.13Å; C511-L565 HydrophobicContact CB-CD2 4.41Å; C511-L565 HydrophobicContact CB-CG 4.43Å |
| 512 | I | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 177 | -72.3 | 176.8 | 0 | 0 | 0 | 110.9 | V508 F514 S516 L565 Y618 L619 F622 Y690 | V508-I512 HydrophobicContact CG1-CD1 3.71Å; V508-I512 WeakPolarHBondContact O-CB 3.26Å; V508-I512 VanDerWaalsContact O-CG1 3.27Å; V508-I512 WeakPolarHBondContact O-CG1 3.19Å; V508-I512 PolarHBondContact O-N 3.3Å; I512-F514 VanDerWaalsContact C-N 3.32Å; I512-F514 PolarHBondContact O-N 2.99Å; I512-S516 WeakPolarHBondContact O-CB 3.43Å; I512-S516 PolarHBondContact O-N 2.97Å; I512-L565 HydrophobicContact CD1-CD2 4.39Å; I512-L565 HydrophobicContact CG1-CD1 4.44Å; I512-L565 HydrophobicContact CG1-CD2 3.69Å; I512-Y618 HydrophobicContact CB-CE1 4.07Å; I512-Y618 HydrophobicContact CD1-CD1 3.8Å; I512-Y618 HydrophobicContact CD1-CE1 3.83Å; I512-Y618 HydrophobicContact CG2-CE1 3.72Å; I512-L619 HydrophobicContact CD1-CD1 4.14Å; I512-F622 HydrophobicContact CB-CG 4.45Å; I512-F622 HydrophobicContact CD1-CB 4.33Å; I512-F622 HydrophobicContact CD1-CD1 3.99Å; I512-F622 HydrophobicContact CD1-CG 4.28Å; I512-F622 HydrophobicContact CG1-CD1 3.83Å; I512-F622 HydrophobicContact CG1-CE1 4.12Å; I512-F622 HydrophobicContact CG1-CG 4.16Å; I512-F622 HydrophobicContact CG2-CB 3.87Å; I512-F622 HydrophobicContact CG2-CD1 4.16Å; I512-F622 HydrophobicContact CG2-CD2 3.67Å; I512-F622 HydrophobicContact CG2-CE2 4.26Å; I512-F622 HydrophobicContact CG2-CG 3.6Å; I512-Y690 HydrophobicContact CG2-CD2 3.9Å; I512-Y690 HydrophobicContact CG2-CE2 3.77Å |
| 513 | R | 91.3 | Very high | 90 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 22% | 0.223 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.1 | -43.4 | 174.7 | 174.3 | -177.4 | 54.8 | 74.2 | 2.9 | 112.2 | E509 S510 R517 D547 L549 | E509-R513 WeakPolarHBondContact O-CB 3.36Å; E509-R513 PolarHBondContact O-N 2.68Å; S510-R513 PolarHBondContact OG-NH2 3.33Å; R513-R517 WeakPolarHBondContact O-CG 3.35Å; R513-R517 PolarHBondContact O-N 2.89Å; R513-D547 IonicContact NH2-OD2 2.7Å; R513-L549 PolarHBondContact NH1-O 3.35Å; R513-L549 VanDerWaalsContact NH1-O 3.08Å; R513-L549 PolarHBondContact NH2-O 3.39Å |
| 514 | F | 91.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.8 | -50.2 | -177.8 | -158.7 | -80.8 | 0 | 0 | 0 | 111.4 | S510 C511 I512 S516 R517 H518 L549 N554 M558 I561 | S510-F514 WeakPolarHBondContact O-CB 3.3Å; S510-F514 PolarHBondContact O-N 3.24Å; C511-F514 PolarHBondContact O-N 2.77Å; I512-F514 VanDerWaalsContact C-N 3.32Å; I512-F514 PolarHBondContact O-N 2.99Å; F514-S516 VanDerWaalsContact C-N 3.28Å; F514-S516 PolarHBondContact O-N 2.99Å; F514-R517 PolarHBondContact O-N 2.89Å; F514-H518 HydrophobicContact CD1-CB 4.43Å; F514-H518 AromaticContact CD1-CD2 3.95Å; F514-H518 HydrophobicContact CE1-CB 4.21Å; F514-H518 AromaticContact CE1-CD2 3.75Å; F514-H518 AromaticContact CE2-CD2 3.99Å; F514-H518 AromaticContact CZ-CD2 3.77Å; F514-H518 PolarHBondContact O-N 2.85Å; F514-L549 HydrophobicContact CB-CD1 4.28Å; F514-L549 HydrophobicContact CD2-CB 4.07Å; F514-L549 HydrophobicContact CD2-CD2 4.31Å; F514-L549 HydrophobicContact CE2-CD2 4.49Å; F514-N554 WeakPolarHBondContact CE1-OD1 3.47Å; F514-N554 WeakPolarHBondContact CZ-OD1 3.33Å; F514-M558 HydrophobicContact CD1-CE 4.49Å; F514-M558 HydrophobicContact CD1-SD 3.95Å; F514-M558 HydrophobicContact CE1-SD 3.71Å; F514-I561 HydrophobicContact CD1-CD1 3.44Å; F514-I561 VanDerWaalsContact CD1-CD1 3.44Å; F514-I561 HydrophobicContact CE1-CD1 3.49Å; F514-I561 VanDerWaalsContact CE1-CD1 3.49Å; F514-I561 HydrophobicContact CG-CD1 4.07Å; F514-I561 HydrophobicContact CZ-CD1 4.15Å |
| 515 | I | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -36.1 | 178.1 | -58.5 | 168.6 | 0 | 0 | 0 | 111 | C511 R517 G519 L520 I525 F526 M558 I561 A562 L565 F622 | C511-I515 WeakPolarHBondContact O-CG1 3.49Å; C511-I515 PolarHBondContact O-N 2.91Å; I515-R517 PolarHBondContact O-N 3.45Å; I515-G519 CarbonylContact O-C 3.59Å; I515-G519 VanDerWaalsContact O-CA 3.24Å; I515-G519 WeakPolarHBondContact O-CA 3.35Å; I515-G519 PolarHBondContact O-N 3.32Å; I515-L520 PolarHBondContact O-N 3.03Å; I515-I525 HydrophobicContact CG2-CG1 4.17Å; I515-F526 HydrophobicContact CD1-CE1 4.06Å; I515-F526 HydrophobicContact CD1-CE2 4.33Å; I515-F526 HydrophobicContact CD1-CZ 3.54Å; I515-F526 HydrophobicContact CG2-CE2 4.44Å; I515-M558 HydrophobicContact CB-CE 4.43Å; I515-M558 HydrophobicContact CG1-CE 4.06Å; I515-M558 HydrophobicContact CG2-CE 4.48Å; I515-I561 HydrophobicContact CD1-CG2 4.09Å; I515-I561 HydrophobicContact CG1-CG2 3.95Å; I515-A562 HydrophobicContact CD1-CB 4.21Å; I515-L565 HydrophobicContact CD1-CD2 4.46Å; I515-F622 HydrophobicContact CB-CZ 4.09Å; I515-F622 HydrophobicContact CG2-CE2 4.32Å; I515-F622 HydrophobicContact CG2-CZ 3.79Å |
| 516 | S | 91.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.2 | -9.3 | 175 | -177.1 | 0 | 0 | 0 | 0 | 114.9 | I512 F514 L520 Y690 | I512-S516 WeakPolarHBondContact O-CB 3.43Å; I512-S516 PolarHBondContact O-N 2.97Å; F514-S516 VanDerWaalsContact C-N 3.28Å; F514-S516 PolarHBondContact O-N 2.99Å; S516-L520 WeakPolarHBondContact O-CD1 3.37Å; S516-Y690 PolarHBondContact OG-OH 3.2Å |
| 517 | R | 88.9 | Confident | 91.6 | Very high | 126 Ų | 126 | 38 Ų | 38 | 48% | 0.475 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -107 | -47.4 | 175.1 | -73.8 | 173.2 | 172.8 | -165.9 | -7.1 | 112 | R513 F514 I515 D552 | R513-R517 WeakPolarHBondContact O-CG 3.35Å; R513-R517 PolarHBondContact O-N 2.89Å; F514-R517 PolarHBondContact O-N 2.89Å; I515-R517 PolarHBondContact O-N 3.45Å; R517-D552 IonicContact CZ-OD1 3.26Å; R517-D552 IonicContact CZ-OD2 3.39Å; R517-D552 IonicContact NH1-OD1 3.98Å; R517-D552 PolarHBondContact NH1-OD1 2.69Å; R517-D552 IonicContact NH1-OD2 2.69Å; R517-D552 PolarHBondContact NH1-OD2 3.5Å |
| 518 | H | 88.1 | Confident | 91.7 | Very high | 75 Ų | 75 | 40 Ų | 40 | 35% | 0.347 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -113.4 | -5.3 | -165.7 | -54 | -51.9 | 0 | 0 | 0 | 113.3 | F514 D552 M558 | F514-H518 HydrophobicContact CD1-CB 4.43Å; F514-H518 AromaticContact CD1-CD2 3.95Å; F514-H518 HydrophobicContact CE1-CB 4.21Å; F514-H518 AromaticContact CE1-CD2 3.75Å; F514-H518 AromaticContact CE2-CD2 3.99Å; F514-H518 AromaticContact CZ-CD2 3.77Å; F514-H518 PolarHBondContact O-N 2.85Å; H518-D552 IonicContact CE1-OD1 3.58Å; H518-D552 IonicContact NE2-OD1 3.65Å; H518-D552 PolarHBondContact NE2-OD1 3.04Å; H518-M558 HydrophobicContact CB-SD 4.24Å |
| 519 | G | 88.4 | Confident | 91.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -125.4 | 2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117 | I515 Q521 H522 | I515-G519 CarbonylContact O-C 3.59Å; I515-G519 VanDerWaalsContact O-CA 3.24Å; I515-G519 WeakPolarHBondContact O-CA 3.35Å; I515-G519 PolarHBondContact O-N 3.32Å; G519-Q521 PolarHBondContact O-N 3.34Å; G519-H522 PolarHBondContact O-N 2.88Å | ||
| 520 | L | 91.8 | Very high | 91.4 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -29.7 | -177.6 | -66.8 | 177.9 | 0 | 0 | 0 | 113 | I515 S516 L626 F629 N633 | I515-L520 PolarHBondContact O-N 3.03Å; S516-L520 WeakPolarHBondContact O-CD1 3.37Å; L520-L626 HydrophobicContact CD2-CD1 3.86Å; L520-F629 HydrophobicContact CB-CD1 4.42Å; L520-F629 HydrophobicContact CB-CD2 4.12Å; L520-F629 HydrophobicContact CB-CE2 4.32Å; L520-F629 HydrophobicContact CB-CG 4.18Å; L520-F629 HydrophobicContact CD1-CD2 4.4Å; L520-F629 HydrophobicContact CD1-CE2 3.83Å; L520-F629 HydrophobicContact CD1-CZ 3.97Å; L520-F629 HydrophobicContact CD2-CD2 4.37Å; L520-F629 HydrophobicContact CD2-CE2 4.44Å; L520-F629 HydrophobicContact CG-CE2 4.43Å; L520-F629 VanDerWaalsContact O-CB 3.28Å; L520-F629 WeakPolarHBondContact O-CB 3.47Å; L520-N633 WeakPolarHBondContact O-CB 3.33Å; L520-N633 PolarHBondContact O-ND2 3.14Å |
| 521 | Q | 89.9 | Confident | 91.5 | Very high | 121 Ų | 121 | 43.9 Ų | 43.9 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 7.5 | -179.3 | -58.4 | 174.7 | -53.9 | 0 | 0 | 112.7 | G519 E523 F629 E632 | G519-Q521 PolarHBondContact O-N 3.34Å; Q521-E523 PolarHBondContact O-N 3.42Å; Q521-F629 HydrophobicContact CG-CD1 4.42Å; Q521-E632 HydrophobicContact CB-CB 4.36Å; Q521-E632 HydrophobicContact CG-CB 4.49Å; Q521-E632 WeakPolarHBondContact CG-OE1 3.46Å; Q521-E632 WeakPolarHBondContact CG-OE2 3.44Å; Q521-E632 PolarHBondContact NE2-OE1 3.34Å; Q521-E632 PolarHBondContact NE2-OE2 3.32Å |
| 522 | H | 92.3 | Very high | 91.4 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | trans | -78.3 | 115.1 | -175.8 | -171.5 | -71.6 | 0 | 0 | 0 | 110.9 | G519 G524 I525 D559 N633 | G519-H522 PolarHBondContact O-N 2.88Å; H522-G524 PolarHBondContact O-N 3.25Å; H522-I525 HydrophobicContact CB-CB 4.26Å; H522-I525 HydrophobicContact CB-CD1 4.41Å; H522-I525 WeakPolarHBondContact O-CB 3.47Å; H522-I525 WeakPolarHBondContact O-CG2 3.42Å; H522-I525 PolarHBondContact O-N 2.82Å; H522-D559 IonicContact CE1-OD2 2.8Å; H522-D559 PolarHBondContact CE1-OD2 3.15Å; H522-N633 WeakPolarHBondContact O-CB 3.35Å | ||
| 523 | E | 92.8 | Very high | 91.2 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 132.5 | -176.1 | -153 | -133.7 | 122.1 | 0 | 0 | 111.8 | Q521 I525 R527 M634 | Q521-E523 PolarHBondContact O-N 3.42Å; E523-I525 PolarHBondContact O-N 3.36Å; E523-R527 IonicContact OE1-CZ 2.72Å; E523-R527 IonicContact OE1-NH2 2.77Å; E523-R527 PolarHBondContact OE1-NH2 3.24Å; E523-M634 HydrophobicContact CG-CB 4.15Å; E523-M634 HydrophobicContact CG-CG 3.63Å |
| 524 | G | 91 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 19.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | H522 F526 R527 V528 N633 | H522-G524 PolarHBondContact O-N 3.25Å; G524-F526 PolarHBondContact O-N 3.17Å; G524-R527 CarbonylContact O-C 3.49Å; G524-R527 WeakPolarHBondContact O-CA 3.25Å; G524-R527 VanDerWaalsContact O-CB 3.26Å; G524-R527 WeakPolarHBondContact O-CB 3.3Å; G524-R527 PolarHBondContact O-N 3.33Å; G524-V528 PolarHBondContact O-N 3.19Å; G524-N633 PolarHBondContact N-O 3.1Å |
| 525 | I | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 132.5 | 176.2 | -169.1 | 67.4 | 0 | 0 | 0 | 111 | I515 H522 E523 R527 M558 A562 L626 N633 M635 | I515-I525 HydrophobicContact CG2-CG1 4.17Å; H522-I525 HydrophobicContact CB-CB 4.26Å; H522-I525 HydrophobicContact CB-CD1 4.41Å; H522-I525 WeakPolarHBondContact O-CB 3.47Å; H522-I525 WeakPolarHBondContact O-CG2 3.42Å; H522-I525 PolarHBondContact O-N 2.82Å; E523-I525 PolarHBondContact O-N 3.36Å; I525-R527 PolarHBondContact O-N 2.86Å; I525-R527 VanDerWaalsContact O-N 3.1Å; I525-M558 HydrophobicContact CD1-CB 4.36Å; I525-M558 HydrophobicContact CD1-CE 4.36Å; I525-A562 HydrophobicContact CD1-CB 3.72Å; I525-A562 HydrophobicContact CG1-CB 4.28Å; I525-L626 HydrophobicContact CG2-CD1 4.15Å; I525-L626 HydrophobicContact CG2-CD2 4.22Å; I525-N633 HydrophobicContact CG2-CB 4.39Å; I525-M635 HydrophobicContact CG2-CG 4.2Å; I525-M635 WeakPolarHBondContact O-CG 3.24Å |
| 526 | F | 95 | Very high | 91.3 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -17.7 | -167.6 | -54.4 | -77.6 | 0 | 0 | 0 | 117.4 | I515 G524 A562 L565 K566 F622 L626 L640 C643 F644 | I515-F526 HydrophobicContact CD1-CE1 4.06Å; I515-F526 HydrophobicContact CD1-CE2 4.33Å; I515-F526 HydrophobicContact CD1-CZ 3.54Å; I515-F526 HydrophobicContact CG2-CE2 4.44Å; G524-F526 PolarHBondContact O-N 3.17Å; F526-A562 HydrophobicContact CD1-CB 3.58Å; F526-A562 HydrophobicContact CE1-CB 3.67Å; F526-A562 HydrophobicContact CG-CB 4.12Å; F526-A562 HydrophobicContact CZ-CB 4.28Å; F526-L565 HydrophobicContact CE1-CB 4.28Å; F526-L565 HydrophobicContact CE1-CD2 4.01Å; F526-L565 HydrophobicContact CZ-CD2 3.95Å; F526-K566 HydrophobicContact CB-CD 4.3Å; F526-K566 HydrophobicContact CD1-CD 4.1Å; F526-K566 HydrophobicContact CD1-CG 3.9Å; F526-K566 PolarHBondContact O-NZ 3.48Å; F526-F622 HydrophobicContact CE2-CE1 4.09Å; F526-F622 HydrophobicContact CE2-CZ 4.21Å; F526-F622 AromaticContact CZ-CE1 3.99Å; F526-F622 HydrophobicContact CZ-CE1 3.99Å; F526-F622 HydrophobicContact CZ-CZ 4.28Å; F526-L626 HydrophobicContact CD2-CD2 3.85Å; F526-L626 HydrophobicContact CE2-CD2 3.57Å; F526-L640 HydrophobicContact CD2-CD2 4.21Å; F526-C643 HydrophobicContact CB-CB 4.24Å; F526-F644 HydrophobicContact CB-CE2 4.2Å; F526-F644 AromaticContact CD1-CE2 3.68Å; F526-F644 HydrophobicContact CD1-CE2 3.68Å; F526-F644 AromaticContact CD1-CZ 3.68Å; F526-F644 HydrophobicContact CD1-CZ 3.68Å; F526-F644 AromaticContact CD2-CE2 3.96Å; F526-F644 HydrophobicContact CD2-CE2 3.96Å; F526-F644 AromaticContact CE1-CE2 3.97Å; F526-F644 HydrophobicContact CE1-CE2 3.97Å; F526-F644 AromaticContact CE1-CZ 3.58Å; F526-F644 HydrophobicContact CE1-CZ 3.58Å; F526-F644 HydrophobicContact CE2-CE2 4.23Å; F526-F644 HydrophobicContact CE2-CZ 4.42Å; F526-F644 AromaticContact CG-CE2 3.68Å; F526-F644 HydrophobicContact CG-CE2 3.68Å; F526-F644 HydrophobicContact CG-CZ 4.16Å; F526-F644 HydrophobicContact CZ-CE2 4.23Å; F526-F644 AromaticContact CZ-CZ 3.97Å; F526-F644 HydrophobicContact CZ-CZ 3.97Å |
| 527 | R | 93.4 | Very high | 91.3 | Very high | 111 Ų | 111 | 61.2 Ų | 61.2 | 42% | 0.419 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -44.1 | 171.1 | 179.4 | -174.1 | 75.3 | -160.9 | 4.4 | 111 | E523 G524 I525 M635 | E523-R527 IonicContact OE1-CZ 2.72Å; E523-R527 IonicContact OE1-NH2 2.77Å; E523-R527 PolarHBondContact OE1-NH2 3.24Å; G524-R527 CarbonylContact O-C 3.49Å; G524-R527 WeakPolarHBondContact O-CA 3.25Å; G524-R527 VanDerWaalsContact O-CB 3.26Å; G524-R527 WeakPolarHBondContact O-CB 3.3Å; G524-R527 PolarHBondContact O-N 3.33Å; I525-R527 PolarHBondContact O-N 2.86Å; I525-R527 VanDerWaalsContact O-N 3.1Å; R527-M635 HydrophobicContact CB-CE 3.87Å; R527-M635 HydrophobicContact CB-SD 3.62Å; R527-M635 HydrophobicContact CG-SD 4.46Å |
| 528 | V | 91.8 | Very high | 91.4 | Very high | 64 Ų | 64 | 55.3 Ų | 55.3 | 39% | 0.388 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -71.9 | 160.4 | 173.1 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | G524 D559 | G524-V528 PolarHBondContact O-N 3.19Å; V528-D559 HydrophobicContact CB-CB 4.5Å; V528-D559 VanDerWaalsContact CB-OD2 3.29Å; V528-D559 WeakPolarHBondContact CB-OD2 3.42Å; V528-D559 HydrophobicContact CG1-CB 4.32Å; V528-D559 WeakPolarHBondContact CG1-OD2 3.33Å |
| 529 | S | 88.9 | Confident | 91.5 | Very high | 95 Ų | 95 | 54.6 Ų | 54.6 | 66% | 0.664 | 29% | 0.285 | S | S | * | . | trans | -120.4 | 110.2 | -177.2 | -66.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 530 | G | 89.5 | Confident | 91.7 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | trans | -65.8 | 171.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q532 D557 D559 S560 | G530-Q532 PolarHBondContact O-N 2.77Å; G530-Q532 PolarHBondContact O-NE2 3.41Å; G530-D557 WeakPolarHBondContact CA-OD2 3.35Å; G530-D559 PolarHBondContact N-O 3.02Å; G530-S560 WeakPolarHBondContact CA-OG 3.1Å | ||
| 531 | S | 92.6 | Very high | 91.5 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | trans | -52.5 | 115.8 | 179.5 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | V533 E534 V535 S560 | S531-V533 PolarHBondContact O-N 3.01Å; S531-V533 VanDerWaalsContact O-N 3.14Å; S531-E534 PolarHBondContact O-N 2.72Å; S531-E534 VanDerWaalsContact O-N 3.08Å; S531-V535 VanDerWaalsContact O-CG2 3.3Å; S531-V535 WeakPolarHBondContact O-CG2 3.42Å; S531-V535 PolarHBondContact O-N 3.19Å; S531-S560 PolarHBondContact N-OG 3.47Å | ||
| 532 | Q | 91.4 | Very high | 91.5 | Very high | 123 Ų | 123 | 51.7 Ų | 51.7 | 58% | 0.575 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.4 | -18.8 | -178.3 | -63.1 | -58 | -74 | 0 | 0 | 113.5 | G530 N536 | G530-Q532 PolarHBondContact O-N 2.77Å; G530-Q532 PolarHBondContact O-NE2 3.41Å; Q532-N536 PolarHBondContact O-N 3.42Å; Q532-N536 PolarHBondContact O-ND2 2.88Å |
| 533 | V | 90.8 | Very high | 91.3 | Very high | 101 Ų | 101 | 54.9 Ų | 54.9 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -72.4 | -52.7 | 170.7 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | S531 N536 D537 | S531-V533 PolarHBondContact O-N 3.01Å; S531-V533 VanDerWaalsContact O-N 3.14Å; V533-N536 PolarHBondContact O-N 2.69Å; V533-N536 VanDerWaalsContact O-N 3.11Å; V533-D537 PolarHBondContact O-N 2.97Å |
| 534 | E | 92 | Very high | 90.9 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.5 | -40.6 | -176.9 | -172.9 | 168.4 | -177.5 | 0 | 0 | 112.9 | S531 N536 D537 I538 H556 D557 | S531-E534 PolarHBondContact O-N 2.72Å; S531-E534 VanDerWaalsContact O-N 3.08Å; E534-N536 PolarHBondContact O-N 2.68Å; E534-D537 PolarHBondContact O-N 2.87Å; E534-I538 HydrophobicContact CG-CD1 3.76Å; E534-I538 HydrophobicContact CG-CG1 4.25Å; E534-I538 WeakPolarHBondContact O-CB 3.4Å; E534-I538 VanDerWaalsContact O-CG1 3.32Å; E534-I538 WeakPolarHBondContact O-CG1 3.26Å; E534-I538 PolarHBondContact O-N 3.25Å; E534-H556 VanDerWaalsContact OE1-CA 3.28Å; E534-H556 WeakPolarHBondContact OE1-CA 3.33Å; E534-H556 IonicContact OE1-CE1 2.72Å; E534-H556 IonicContact OE1-CG 2.69Å; E534-H556 IonicContact OE1-ND1 2.94Å; E534-H556 PolarHBondContact OE1-ND1 3.16Å; E534-D557 PolarHBondContact OE1-N 3.18Å |
| 535 | V | 92.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54.5 | -42.2 | 171 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | S531 K539 V564 L567 | S531-V535 VanDerWaalsContact O-CG2 3.3Å; S531-V535 WeakPolarHBondContact O-CG2 3.42Å; S531-V535 PolarHBondContact O-N 3.19Å; V535-K539 WeakPolarHBondContact O-CB 3.5Å; V535-K539 PolarHBondContact O-N 3Å; V535-K539 VanDerWaalsContact O-N 3.13Å; V535-V564 HydrophobicContact CB-CG2 4.35Å; V535-V564 HydrophobicContact CG1-CG2 4.03Å; V535-V564 WeakPolarHBondContact O-CG2 3.17Å; V535-L567 HydrophobicContact CG1-CD2 3.78Å |
| 536 | N | 91.1 | Very high | 90.1 | Very high | 67 Ų | 67 | 64.5 Ų | 64.5 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -74 | -39.9 | 177.5 | -81.9 | -66.5 | 0 | 0 | 0 | 112 | Q532 V533 E534 K539 N540 | Q532-N536 PolarHBondContact O-N 3.42Å; Q532-N536 PolarHBondContact O-ND2 2.88Å; V533-N536 PolarHBondContact O-N 2.69Å; V533-N536 VanDerWaalsContact O-N 3.11Å; E534-N536 PolarHBondContact O-N 2.68Å; N536-K539 PolarHBondContact O-N 3.37Å; N536-N540 WeakPolarHBondContact O-CB 3.4Å; N536-N540 PolarHBondContact O-N 3.11Å; N536-N540 PolarHBondContact O-ND2 3.32Å; N536-N540 PolarHBondContact O-OD1 2.86Å |
| 537 | D | 91.6 | Very high | 89.7 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 179.8 | -75 | -30 | 0 | 0 | 0 | 112.8 | V533 E534 N540 A541 | V533-D537 PolarHBondContact O-N 2.97Å; E534-D537 PolarHBondContact O-N 2.87Å; D537-N540 PolarHBondContact O-N 2.75Å; D537-A541 PolarHBondContact O-N 3.37Å |
| 538 | I | 90.9 | Very high | 89.3 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 172.8 | -66.3 | 172 | 0 | 0 | 0 | 110.3 | E534 N540 A541 F542 P548 I561 V564 | E534-I538 HydrophobicContact CG-CD1 3.76Å; E534-I538 HydrophobicContact CG-CG1 4.25Å; E534-I538 WeakPolarHBondContact O-CB 3.4Å; E534-I538 VanDerWaalsContact O-CG1 3.32Å; E534-I538 WeakPolarHBondContact O-CG1 3.26Å; E534-I538 PolarHBondContact O-N 3.25Å; I538-N540 VanDerWaalsContact C-N 3.33Å; I538-N540 PolarHBondContact O-N 2.9Å; I538-A541 WeakPolarHBondContact O-CB 3.48Å; I538-A541 PolarHBondContact O-N 2.99Å; I538-F542 HydrophobicContact CG2-CD2 4.02Å; I538-F542 HydrophobicContact CG2-CE2 3.74Å; I538-F542 VanDerWaalsContact O-CD2 3.32Å; I538-F542 WeakPolarHBondContact O-CD2 3.48Å; I538-F542 PolarHBondContact O-N 3.36Å; I538-F542 VanDerWaalsContact O-N 3.15Å; I538-P548 HydrophobicContact CG2-CG 3.85Å; I538-I561 HydrophobicContact CD1-CG1 4.29Å; I538-V564 HydrophobicContact CB-CG2 3.92Å; I538-V564 HydrophobicContact CG2-CB 4.43Å; I538-V564 HydrophobicContact CG2-CG1 4.22Å; I538-V564 HydrophobicContact CG2-CG2 3.77Å |
| 539 | K | 90.7 | Very high | 89 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.8 | -47.5 | 173.3 | 171.1 | -172.8 | 163.8 | -65.9 | 0 | 111.4 | V535 N536 A541 F542 E543 L567 | V535-K539 WeakPolarHBondContact O-CB 3.5Å; V535-K539 PolarHBondContact O-N 3Å; V535-K539 VanDerWaalsContact O-N 3.13Å; N536-K539 PolarHBondContact O-N 3.37Å; K539-A541 VanDerWaalsContact C-N 3.26Å; K539-A541 PolarHBondContact O-N 2.85Å; K539-F542 PolarHBondContact O-N 3.08Å; K539-E543 WeakPolarHBondContact CE-OE1 3.41Å; K539-E543 IonicContact NZ-OE1 3.29Å; K539-E543 PolarHBondContact NZ-OE1 3.09Å; K539-E543 IonicContact NZ-OE2 3.61Å; K539-E543 PolarHBondContact NZ-OE2 3.19Å; K539-E543 PolarHBondContact O-N 2.78Å; K539-L567 HydrophobicContact CD-CD2 3.97Å |
| 540 | N | 91.5 | Very high | 88.5 | Confident | 56 Ų | 56 | 59 Ų | 59 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.9 | -27.2 | -178 | -68.1 | -23.1 | 0 | 0 | 0 | 111.8 | N536 D537 I538 E543 R544 | N536-N540 WeakPolarHBondContact O-CB 3.4Å; N536-N540 PolarHBondContact O-N 3.11Å; N536-N540 PolarHBondContact O-ND2 3.32Å; N536-N540 PolarHBondContact O-OD1 2.86Å; D537-N540 PolarHBondContact O-N 2.75Å; I538-N540 VanDerWaalsContact C-N 3.33Å; I538-N540 PolarHBondContact O-N 2.9Å; N540-E543 PolarHBondContact OD1-OE2 2.94Å; N540-R544 VanDerWaalsContact C-NH1 3.3Å; N540-R544 WeakPolarHBondContact O-CG 3.37Å; N540-R544 PolarHBondContact O-N 3.2Å; N540-R544 PolarHBondContact O-NH1 3.29Å; N540-R544 VanDerWaalsContact O-NH1 3.1Å |
| 541 | A | 88.1 | Confident | 87.6 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.1 | -48.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D537 I538 K539 E543 R544 G545 E546 P548 | D537-A541 PolarHBondContact O-N 3.37Å; I538-A541 WeakPolarHBondContact O-CB 3.48Å; I538-A541 PolarHBondContact O-N 2.99Å; K539-A541 VanDerWaalsContact C-N 3.26Å; K539-A541 PolarHBondContact O-N 2.85Å; A541-E543 VanDerWaalsContact C-N 3.27Å; A541-E543 PolarHBondContact O-N 3.35Å; A541-R544 WeakPolarHBondContact O-CA 3.41Å; A541-R544 WeakPolarHBondContact O-CB 3.04Å; A541-R544 PolarHBondContact O-N 3.44Å; A541-G545 PolarHBondContact O-N 3.08Å; A541-E546 CarbonylContact C-O 3.59Å; A541-E546 HydrophobicContact CB-CB 4.35Å; A541-E546 WeakPolarHBondContact O-CB 3Å; A541-E546 PolarHBondContact O-N 3.06Å; A541-P548 HydrophobicContact CB-CB 4.32Å; A541-P548 HydrophobicContact CB-CG 3.96Å |
| 542 | F | 90.1 | Very high | 86.2 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.5 | -37.6 | 173.8 | -76.2 | -61.9 | 0 | 0 | 0 | 112.7 | L506 V507 I538 K539 R544 G545 E546 D547 P548 L549 V564 | L506-F542 HydrophobicContact CG-CE1 4.4Å; V507-F542 HydrophobicContact CB-CG 4.39Å; V507-F542 HydrophobicContact CG1-CD2 3.9Å; V507-F542 HydrophobicContact CG1-CE2 4.12Å; V507-F542 HydrophobicContact CG1-CG 4.21Å; V507-F542 HydrophobicContact CG2-CB 3.77Å; V507-F542 HydrophobicContact CG2-CD1 3.98Å; V507-F542 HydrophobicContact CG2-CD2 4.34Å; V507-F542 HydrophobicContact CG2-CG 3.79Å; I538-F542 HydrophobicContact CG2-CD2 4.02Å; I538-F542 HydrophobicContact CG2-CE2 3.74Å; I538-F542 VanDerWaalsContact O-CD2 3.32Å; I538-F542 WeakPolarHBondContact O-CD2 3.48Å; I538-F542 PolarHBondContact O-N 3.36Å; I538-F542 VanDerWaalsContact O-N 3.15Å; K539-F542 PolarHBondContact O-N 3.08Å; F542-R544 VanDerWaalsContact C-N 3.32Å; F542-R544 PolarHBondContact O-N 3.34Å; F542-G545 PolarHBondContact O-N 3.49Å; F542-E546 WeakPolarHBondContact CA-O 3.46Å; F542-E546 WeakPolarHBondContact CD1-O 3.41Å; F542-E546 PolarHBondContact N-O 2.99Å; F542-D547 HydrophobicContact CE1-CB 4.21Å; F542-D547 WeakPolarHBondContact CE1-OD1 3.38Å; F542-P548 HydrophobicContact CD2-CG 4.3Å; F542-P548 HydrophobicContact CE2-CG 3.95Å; F542-P548 HydrophobicContact CZ-CG 4.14Å; F542-L549 HydrophobicContact CE2-CD1 4.45Å; F542-L549 HydrophobicContact CZ-CD1 4.25Å; F542-L549 HydrophobicContact CZ-CG 4.3Å; F542-V564 HydrophobicContact CD2-CG1 4.46Å |
| 543 | E | 87.3 | Confident | 84.8 | Confident | 128 Ų | 128 | 62.4 Ų | 62.4 | 60% | 0.598 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.5 | -23.6 | 174.8 | -74.5 | 176.5 | 165.8 | 0 | 0 | 113.9 | K539 N540 A541 G545 | K539-E543 WeakPolarHBondContact CE-OE1 3.41Å; K539-E543 IonicContact NZ-OE1 3.29Å; K539-E543 PolarHBondContact NZ-OE1 3.09Å; K539-E543 IonicContact NZ-OE2 3.61Å; K539-E543 PolarHBondContact NZ-OE2 3.19Å; K539-E543 PolarHBondContact O-N 2.78Å; N540-E543 PolarHBondContact OD1-OE2 2.94Å; A541-E543 VanDerWaalsContact C-N 3.27Å; A541-E543 PolarHBondContact O-N 3.35Å; E543-G545 VanDerWaalsContact C-N 3.26Å |
| 544 | R | 85.7 | Confident | 83.6 | Confident | 151 Ų | 151 | 62.3 Ų | 62.3 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -78 | -9.7 | 167.9 | -69.6 | -177.4 | -51.7 | -96.6 | 9.1 | 113.1 | N540 A541 F542 E546 | N540-R544 VanDerWaalsContact C-NH1 3.3Å; N540-R544 WeakPolarHBondContact O-CG 3.37Å; N540-R544 PolarHBondContact O-N 3.2Å; N540-R544 PolarHBondContact O-NH1 3.29Å; N540-R544 VanDerWaalsContact O-NH1 3.1Å; A541-R544 WeakPolarHBondContact O-CA 3.41Å; A541-R544 WeakPolarHBondContact O-CB 3.04Å; A541-R544 PolarHBondContact O-N 3.44Å; F542-R544 VanDerWaalsContact C-N 3.32Å; F542-R544 PolarHBondContact O-N 3.34Å; R544-E546 HydrophobicContact CB-CG 4.26Å; R544-E546 IonicContact CZ-OE2 3.11Å; R544-E546 IonicContact NE-OE1 2.67Å; R544-E546 IonicContact NE-OE2 3.84Å; R544-E546 PolarHBondContact NE-OE2 3.44Å; R544-E546 IonicContact NH2-OE2 2.68Å; R544-E546 PolarHBondContact NH2-OE2 2.85Å |
| 545 | G | 81.6 | Confident | 82.6 | Confident | 63 Ų | 63 | 66 Ų | 66 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 20.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A541 F542 E543 | A541-G545 PolarHBondContact O-N 3.08Å; F542-G545 PolarHBondContact O-N 3.49Å; E543-G545 VanDerWaalsContact C-N 3.26Å |
| 546 | E | 85.1 | Confident | 82.1 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | trans | -96.4 | 142.9 | 173.3 | -61.3 | 166.2 | 164.5 | 0 | 0 | 108.7 | A541 F542 R544 P548 | A541-E546 CarbonylContact C-O 3.59Å; A541-E546 HydrophobicContact CB-CB 4.35Å; A541-E546 WeakPolarHBondContact O-CB 3Å; A541-E546 PolarHBondContact O-N 3.06Å; F542-E546 WeakPolarHBondContact CA-O 3.46Å; F542-E546 WeakPolarHBondContact CD1-O 3.41Å; F542-E546 PolarHBondContact N-O 2.99Å; R544-E546 HydrophobicContact CB-CG 4.26Å; R544-E546 IonicContact CZ-OE2 3.11Å; R544-E546 IonicContact NE-OE1 2.67Å; R544-E546 IonicContact NE-OE2 3.84Å; R544-E546 PolarHBondContact NE-OE2 3.44Å; R544-E546 IonicContact NH2-OE2 2.68Å; R544-E546 PolarHBondContact NH2-OE2 2.85Å; E546-P548 WeakPolarHBondContact O-CD 3.31Å | ||
| 547 | D | 86.3 | Confident | 82 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 23% | 0.225 | 37% | 0.372 | C | S | . | . | trans | -104.5 | 98.9 | 170.2 | -176.2 | -2.6 | 0 | 0 | 0 | 109.3 | L506 S510 R513 F542 L549 A550 | L506-D547 HydrophobicContact CD2-CB 4.29Å; S510-D547 WeakPolarHBondContact CB-OD2 3.47Å; S510-D547 PolarHBondContact OG-OD2 2.69Å; R513-D547 IonicContact NH2-OD2 2.7Å; F542-D547 HydrophobicContact CE1-CB 4.21Å; F542-D547 WeakPolarHBondContact CE1-OD1 3.38Å; D547-L549 PolarHBondContact O-N 3.03Å; D547-L549 WeakPolarHBondContact OD1-CA 3.24Å; D547-L549 PolarHBondContact OD1-N 3.07Å; D547-A550 HydrophobicContact CB-CB 4.06Å; D547-A550 WeakPolarHBondContact O-CB 3.34Å; D547-A550 PolarHBondContact O-N 2.9Å; D547-A550 PolarHBondContact OD1-N 2.83Å | ||
| 548 | P | 85.4 | Confident | 82 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.8 | 178.6 | 27.7 | -34.8 | 0 | 0 | 0 | 112.8 | I538 A541 F542 E546 | I538-P548 HydrophobicContact CG2-CG 3.85Å; A541-P548 HydrophobicContact CB-CB 4.32Å; A541-P548 HydrophobicContact CB-CG 3.96Å; F542-P548 HydrophobicContact CD2-CG 4.3Å; F542-P548 HydrophobicContact CE2-CG 3.95Å; F542-P548 HydrophobicContact CZ-CG 4.14Å; E546-P548 WeakPolarHBondContact O-CD 3.31Å |
| 549 | L | 85.6 | Confident | 82.2 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 11.2 | -176.8 | -53.6 | -178.4 | 0 | 0 | 0 | 112.6 | R513 F514 F542 D547 G551 I561 | R513-L549 PolarHBondContact NH1-O 3.35Å; R513-L549 VanDerWaalsContact NH1-O 3.08Å; R513-L549 PolarHBondContact NH2-O 3.39Å; F514-L549 HydrophobicContact CB-CD1 4.28Å; F514-L549 HydrophobicContact CD2-CB 4.07Å; F514-L549 HydrophobicContact CD2-CD2 4.31Å; F514-L549 HydrophobicContact CE2-CD2 4.49Å; F542-L549 HydrophobicContact CE2-CD1 4.45Å; F542-L549 HydrophobicContact CZ-CD1 4.25Å; F542-L549 HydrophobicContact CZ-CG 4.3Å; D547-L549 PolarHBondContact O-N 3.03Å; D547-L549 WeakPolarHBondContact OD1-CA 3.24Å; D547-L549 PolarHBondContact OD1-N 3.07Å; L549-G551 VanDerWaalsContact C-N 3.26Å; L549-G551 PolarHBondContact O-N 3.02Å; L549-I561 HydrophobicContact CD1-CD1 4.36Å; L549-I561 HydrophobicContact CD1-CG1 4.3Å; L549-I561 HydrophobicContact CD1-CG2 3.78Å; L549-I561 HydrophobicContact CD2-CD1 3.69Å; L549-I561 HydrophobicContact CD2-CG1 4.02Å |
| 550 | A | 78.4 | Confident | 82.3 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -69 | -18.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D547 | D547-A550 HydrophobicContact CB-CB 4.06Å; D547-A550 WeakPolarHBondContact O-CB 3.34Å; D547-A550 PolarHBondContact O-N 2.9Å; D547-A550 PolarHBondContact OD1-N 2.83Å |
| 551 | G | 70.9 | Confident | 82.4 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -97 | 159.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L549 Q553 | L549-G551 VanDerWaalsContact C-N 3.26Å; L549-G551 PolarHBondContact O-N 3.02Å; G551-Q553 PolarHBondContact O-N 2.8Å |
| 552 | D | 61.7 | Low | 82.7 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | trans | -85.5 | 27 | 166.8 | -82 | -54.5 | 0 | 0 | 0 | 112.1 | R517 H518 | R517-D552 IonicContact CZ-OD1 3.26Å; R517-D552 IonicContact CZ-OD2 3.39Å; R517-D552 IonicContact NH1-OD1 3.98Å; R517-D552 PolarHBondContact NH1-OD1 2.69Å; R517-D552 IonicContact NH1-OD2 2.69Å; R517-D552 PolarHBondContact NH1-OD2 3.5Å; H518-D552 IonicContact CE1-OD1 3.58Å; H518-D552 IonicContact NE2-OD1 3.65Å; H518-D552 PolarHBondContact NE2-OD1 3.04Å | ||
| 553 | Q | 63.3 | Low | 82.9 | Confident | 128 Ų | 128 | 58.4 Ų | 58.4 | 60% | 0.598 | 33% | 0.326 | S | S | * | . | trans | -79.8 | 118.2 | 171.8 | -72.2 | -64.2 | 123.1 | 0 | 0 | 109 | G551 D555 | G551-Q553 PolarHBondContact O-N 2.8Å; Q553-D555 WeakPolarHBondContact CB-OD2 3.49Å; Q553-D555 PolarHBondContact O-N 3.02Å | ||
| 554 | N | 64.7 | Low | 83.2 | Confident | 99 Ų | 99 | 52.5 Ų | 52.5 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | trans | -84.6 | 47.5 | -179 | -146.4 | 29 | 0 | 0 | 0 | 111.7 | F514 H556 | F514-N554 WeakPolarHBondContact CE1-OD1 3.47Å; F514-N554 WeakPolarHBondContact CZ-OD1 3.33Å; N554-H556 VanDerWaalsContact C-N 3.28Å; N554-H556 PolarHBondContact O-N 3.07Å | ||
| 555 | D | 71.9 | Confident | 83.6 | Confident | 122 Ų | 122 | 45.3 Ų | 45.3 | 65% | 0.652 | 27% | 0.271 | S | S | * | . | trans | -86.6 | 3.2 | -174.5 | -62 | -21.1 | 0 | 0 | 0 | 112.6 | Q553 | Q553-D555 WeakPolarHBondContact CB-OD2 3.49Å; Q553-D555 PolarHBondContact O-N 3.02Å | ||
| 556 | H | 82.6 | Confident | 84.2 | Confident | 60 Ų | 60 | 43.8 Ų | 43.8 | 28% | 0.278 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -124.5 | 145.9 | -173.1 | -81.3 | -54 | 0 | 0 | 0 | 112.8 | E534 N554 I561 | E534-H556 VanDerWaalsContact OE1-CA 3.28Å; E534-H556 WeakPolarHBondContact OE1-CA 3.33Å; E534-H556 IonicContact OE1-CE1 2.72Å; E534-H556 IonicContact OE1-CG 2.69Å; E534-H556 IonicContact OE1-ND1 2.94Å; E534-H556 PolarHBondContact OE1-ND1 3.16Å; N554-H556 VanDerWaalsContact C-N 3.28Å; N554-H556 PolarHBondContact O-N 3.07Å; H556-I561 HydrophobicContact CB-CD1 3.96Å; H556-I561 HydrophobicContact CB-CG1 4.37Å |
| 557 | D | 88.6 | Confident | 84.5 | Confident | 54 Ų | 54 | 41.3 Ų | 41.3 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | trans | -69.5 | 129.6 | 176.4 | 166.4 | 44 | 0 | 0 | 0 | 112.4 | G530 E534 D559 S560 I561 | G530-D557 WeakPolarHBondContact CA-OD2 3.35Å; E534-D557 PolarHBondContact OE1-N 3.18Å; D557-D559 PolarHBondContact O-N 3.28Å; D557-D559 PolarHBondContact OD1-N 2.88Å; D557-S560 WeakPolarHBondContact O-CB 3.38Å; D557-S560 PolarHBondContact O-N 3.23Å; D557-S560 VanDerWaalsContact O-N 3.15Å; D557-S560 VanDerWaalsContact OD2-CB 3.28Å; D557-S560 WeakPolarHBondContact OD2-CB 3.24Å; D557-S560 PolarHBondContact OD2-N 3.3Å; D557-S560 PolarHBondContact OD2-OG 2.77Å; D557-I561 WeakPolarHBondContact O-CG1 3.44Å; D557-I561 PolarHBondContact O-N 3.19Å | ||
| 558 | M | 92 | Very high | 84.8 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | -178 | -73.8 | -59.2 | -50.4 | 0 | 0 | 112.8 | F514 I515 H518 I525 S560 I561 A562 | F514-M558 HydrophobicContact CD1-CE 4.49Å; F514-M558 HydrophobicContact CD1-SD 3.95Å; F514-M558 HydrophobicContact CE1-SD 3.71Å; I515-M558 HydrophobicContact CB-CE 4.43Å; I515-M558 HydrophobicContact CG1-CE 4.06Å; I515-M558 HydrophobicContact CG2-CE 4.48Å; H518-M558 HydrophobicContact CB-SD 4.24Å; I525-M558 HydrophobicContact CD1-CB 4.36Å; I525-M558 HydrophobicContact CD1-CE 4.36Å; M558-S560 VanDerWaalsContact C-N 3.27Å; M558-S560 PolarHBondContact O-N 2.83Å; M558-I561 PolarHBondContact O-N 2.91Å; M558-A562 WeakPolarHBondContact O-CB 3.29Å; M558-A562 PolarHBondContact O-N 3.23Å |
| 559 | D | 93.7 | Very high | 85.1 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73.3 | -22.8 | 176.9 | -78 | -45.2 | 0 | 0 | 0 | 112.4 | H522 V528 G530 D557 G563 | H522-D559 IonicContact CE1-OD2 2.8Å; H522-D559 PolarHBondContact CE1-OD2 3.15Å; V528-D559 HydrophobicContact CB-CB 4.5Å; V528-D559 VanDerWaalsContact CB-OD2 3.29Å; V528-D559 WeakPolarHBondContact CB-OD2 3.42Å; V528-D559 HydrophobicContact CG1-CB 4.32Å; V528-D559 WeakPolarHBondContact CG1-OD2 3.33Å; G530-D559 PolarHBondContact N-O 3.02Å; D557-D559 PolarHBondContact O-N 3.28Å; D557-D559 PolarHBondContact OD1-N 2.88Å; D559-G563 PolarHBondContact O-N 2.95Å |
| 560 | S | 94.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.8 | -42.4 | 170.5 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | G530 S531 D557 M558 G563 V564 | G530-S560 WeakPolarHBondContact CA-OG 3.1Å; S531-S560 PolarHBondContact N-OG 3.47Å; D557-S560 WeakPolarHBondContact O-CB 3.38Å; D557-S560 PolarHBondContact O-N 3.23Å; D557-S560 VanDerWaalsContact O-N 3.15Å; D557-S560 VanDerWaalsContact OD2-CB 3.28Å; D557-S560 WeakPolarHBondContact OD2-CB 3.24Å; D557-S560 PolarHBondContact OD2-N 3.3Å; D557-S560 PolarHBondContact OD2-OG 2.77Å; M558-S560 VanDerWaalsContact C-N 3.27Å; M558-S560 PolarHBondContact O-N 2.83Å; S560-G563 WeakPolarHBondContact O-CA 3.2Å; S560-G563 PolarHBondContact O-N 2.81Å; S560-V564 WeakPolarHBondContact O-CG2 3.45Å; S560-V564 PolarHBondContact O-N 3.32Å |
| 561 | I | 93.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 172.7 | -62.8 | 171.1 | 0 | 0 | 0 | 110.8 | C511 F514 I515 I538 L549 H556 D557 M558 G563 V564 L565 | C511-I561 HydrophobicContact CB-CG2 4.19Å; F514-I561 HydrophobicContact CD1-CD1 3.44Å; F514-I561 VanDerWaalsContact CD1-CD1 3.44Å; F514-I561 HydrophobicContact CE1-CD1 3.49Å; F514-I561 VanDerWaalsContact CE1-CD1 3.49Å; F514-I561 HydrophobicContact CG-CD1 4.07Å; F514-I561 HydrophobicContact CZ-CD1 4.15Å; I515-I561 HydrophobicContact CD1-CG2 4.09Å; I515-I561 HydrophobicContact CG1-CG2 3.95Å; I538-I561 HydrophobicContact CD1-CG1 4.29Å; L549-I561 HydrophobicContact CD1-CD1 4.36Å; L549-I561 HydrophobicContact CD1-CG1 4.3Å; L549-I561 HydrophobicContact CD1-CG2 3.78Å; L549-I561 HydrophobicContact CD2-CD1 3.69Å; L549-I561 HydrophobicContact CD2-CG1 4.02Å; H556-I561 HydrophobicContact CB-CD1 3.96Å; H556-I561 HydrophobicContact CB-CG1 4.37Å; D557-I561 WeakPolarHBondContact O-CG1 3.44Å; D557-I561 PolarHBondContact O-N 3.19Å; M558-I561 PolarHBondContact O-N 2.91Å; I561-G563 VanDerWaalsContact C-N 3.31Å; I561-G563 PolarHBondContact O-N 2.81Å; I561-V564 PolarHBondContact O-N 3.45Å; I561-L565 PolarHBondContact O-N 2.66Å; I561-L565 VanDerWaalsContact O-N 3.16Å |
| 562 | A | 94.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I515 I525 F526 M558 L565 K566 | I515-A562 HydrophobicContact CD1-CB 4.21Å; I525-A562 HydrophobicContact CD1-CB 3.72Å; I525-A562 HydrophobicContact CG1-CB 4.28Å; F526-A562 HydrophobicContact CD1-CB 3.58Å; F526-A562 HydrophobicContact CE1-CB 3.67Å; F526-A562 HydrophobicContact CG-CB 4.12Å; F526-A562 HydrophobicContact CZ-CB 4.28Å; M558-A562 WeakPolarHBondContact O-CB 3.29Å; M558-A562 PolarHBondContact O-N 3.23Å; A562-L565 PolarHBondContact O-N 2.66Å; A562-K566 PolarHBondContact O-N 3.38Å |
| 563 | G | 93.6 | Very high | 87.2 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | D559 S560 I561 L565 K566 L567 | D559-G563 PolarHBondContact O-N 2.95Å; S560-G563 WeakPolarHBondContact O-CA 3.2Å; S560-G563 PolarHBondContact O-N 2.81Å; I561-G563 VanDerWaalsContact C-N 3.31Å; I561-G563 PolarHBondContact O-N 2.81Å; G563-L565 PolarHBondContact O-N 2.92Å; G563-K566 PolarHBondContact O-N 3.08Å; G563-L567 VanDerWaalsContact O-CB 3.25Å; G563-L567 WeakPolarHBondContact O-CB 3.47Å; G563-L567 PolarHBondContact O-N 3.06Å |
| 564 | V | 94.6 | Very high | 88 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | V507 V535 I538 F542 S560 I561 L567 Y568 | V507-V564 HydrophobicContact CG1-CG1 4.02Å; V535-V564 HydrophobicContact CB-CG2 4.35Å; V535-V564 HydrophobicContact CG1-CG2 4.03Å; V535-V564 WeakPolarHBondContact O-CG2 3.17Å; I538-V564 HydrophobicContact CB-CG2 3.92Å; I538-V564 HydrophobicContact CG2-CB 4.43Å; I538-V564 HydrophobicContact CG2-CG1 4.22Å; I538-V564 HydrophobicContact CG2-CG2 3.77Å; F542-V564 HydrophobicContact CD2-CG1 4.46Å; S560-V564 WeakPolarHBondContact O-CG2 3.45Å; S560-V564 PolarHBondContact O-N 3.32Å; I561-V564 PolarHBondContact O-N 3.45Å; V564-L567 PolarHBondContact O-N 2.96Å; V564-Y568 WeakPolarHBondContact O-CB 3.4Å; V564-Y568 PolarHBondContact O-N 3.42Å |
| 565 | L | 94.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 179.7 | -174.1 | 61.3 | 0 | 0 | 0 | 112.2 | V508 C511 I512 I515 F526 I561 A562 G563 F569 F622 | V508-L565 HydrophobicContact CB-CD1 4.45Å; V508-L565 HydrophobicContact CG1-CD1 4.43Å; V508-L565 HydrophobicContact CG2-CD1 4.34Å; C511-L565 HydrophobicContact CB-CB 4.06Å; C511-L565 HydrophobicContact CB-CD1 4.13Å; C511-L565 HydrophobicContact CB-CD2 4.41Å; C511-L565 HydrophobicContact CB-CG 4.43Å; I512-L565 HydrophobicContact CD1-CD2 4.39Å; I512-L565 HydrophobicContact CG1-CD1 4.44Å; I512-L565 HydrophobicContact CG1-CD2 3.69Å; I515-L565 HydrophobicContact CD1-CD2 4.46Å; F526-L565 HydrophobicContact CE1-CB 4.28Å; F526-L565 HydrophobicContact CE1-CD2 4.01Å; F526-L565 HydrophobicContact CZ-CD2 3.95Å; I561-L565 PolarHBondContact O-N 2.66Å; I561-L565 VanDerWaalsContact O-N 3.16Å; A562-L565 PolarHBondContact O-N 2.66Å; G563-L565 PolarHBondContact O-N 2.92Å; L565-F569 HydrophobicContact CD1-CD2 4.31Å; L565-F569 HydrophobicContact CD1-CE2 3.68Å; L565-F569 HydrophobicContact CG-CD2 4.49Å; L565-F569 HydrophobicContact CG-CE2 4.14Å; L565-F569 VanDerWaalsContact O-CD2 3.25Å; L565-F569 WeakPolarHBondContact O-CD2 3.19Å; L565-F569 PolarHBondContact O-N 2.95Å; L565-F622 HydrophobicContact CD2-CE1 4.46Å |
| 566 | K | 93.8 | Very high | 89.7 | Confident | 31 Ų | 31 | 46 Ų | 46 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 172.2 | -73.4 | -178.8 | -67.1 | 178.8 | 0 | 111.6 | F526 A562 G563 Y568 F569 R570 F644 | F526-K566 HydrophobicContact CB-CD 4.3Å; F526-K566 HydrophobicContact CD1-CD 4.1Å; F526-K566 HydrophobicContact CD1-CG 3.9Å; F526-K566 PolarHBondContact O-NZ 3.48Å; A562-K566 PolarHBondContact O-N 3.38Å; G563-K566 PolarHBondContact O-N 3.08Å; K566-Y568 VanDerWaalsContact C-N 3.31Å; K566-Y568 PolarHBondContact O-N 3.37Å; K566-F569 PolarHBondContact O-N 3.39Å; K566-R570 WeakPolarHBondContact O-CB 3.49Å; K566-R570 PolarHBondContact O-N 3.19Å; K566-F644 HydrophobicContact CG-CE1 4.38Å; K566-F644 HydrophobicContact CG-CZ 4.3Å |
| 567 | L | 91.5 | Very high | 90 | Very high | 46 Ų | 46 | 43.4 Ų | 43.4 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -35.5 | -178.1 | -177.3 | 59.3 | 0 | 0 | 0 | 112.1 | V535 K539 G563 V564 G571 | V535-L567 HydrophobicContact CG1-CD2 3.78Å; K539-L567 HydrophobicContact CD-CD2 3.97Å; G563-L567 VanDerWaalsContact O-CB 3.25Å; G563-L567 WeakPolarHBondContact O-CB 3.47Å; G563-L567 PolarHBondContact O-N 3.06Å; V564-L567 PolarHBondContact O-N 2.96Å; L567-G571 PolarHBondContact O-N 2.92Å |
| 568 | Y | 92.5 | Very high | 90 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 27% | 0.271 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.3 | -52.8 | 174.6 | 179.1 | -97.8 | 0 | 0 | 0 | 111.5 | P505 V507 V508 V564 K566 G571 L572 | P505-Y568 HydrophobicContact CB-CE1 4.32Å; P505-Y568 WeakPolarHBondContact CB-OH 3.31Å; P505-Y568 HydrophobicContact CG-CE1 4.22Å; P505-Y568 VanDerWaalsContact CG-OH 3.22Å; P505-Y568 WeakPolarHBondContact CG-OH 3.18Å; V507-Y568 HydrophobicContact CB-CD2 4.05Å; V507-Y568 HydrophobicContact CB-CE2 4.32Å; V507-Y568 HydrophobicContact CB-CG 4.38Å; V507-Y568 HydrophobicContact CG1-CD2 4.09Å; V507-Y568 HydrophobicContact CG1-CG 4.23Å; V507-Y568 HydrophobicContact CG2-CD2 4.16Å; V507-Y568 HydrophobicContact CG2-CE2 4.19Å; V508-Y568 HydrophobicContact CG2-CD1 3.51Å; V508-Y568 HydrophobicContact CG2-CE1 3.39Å; V564-Y568 WeakPolarHBondContact O-CB 3.4Å; V564-Y568 PolarHBondContact O-N 3.42Å; K566-Y568 VanDerWaalsContact C-N 3.31Å; K566-Y568 PolarHBondContact O-N 3.37Å; Y568-G571 PolarHBondContact O-N 3.49Å; Y568-L572 HydrophobicContact CE1-CD2 3.88Å; Y568-L572 HydrophobicContact CE2-CD2 4.4Å; Y568-L572 PolarHBondContact O-N 3.04Å |
| 569 | F | 92.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 179.5 | -71.9 | -67.6 | 0 | 0 | 0 | 112.9 | V508 L565 K566 G571 L572 L576 I615 L619 S647 L648 | V508-F569 HydrophobicContact CG1-CZ 3.97Å; V508-F569 HydrophobicContact CG2-CE1 4.25Å; V508-F569 HydrophobicContact CG2-CE2 4.27Å; V508-F569 HydrophobicContact CG2-CZ 3.72Å; L565-F569 HydrophobicContact CD1-CD2 4.31Å; L565-F569 HydrophobicContact CD1-CE2 3.68Å; L565-F569 HydrophobicContact CG-CD2 4.49Å; L565-F569 HydrophobicContact CG-CE2 4.14Å; L565-F569 VanDerWaalsContact O-CD2 3.25Å; L565-F569 WeakPolarHBondContact O-CD2 3.19Å; L565-F569 PolarHBondContact O-N 2.95Å; K566-F569 PolarHBondContact O-N 3.39Å; F569-G571 PolarHBondContact O-N 2.84Å; F569-L572 HydrophobicContact CD1-CD1 3.98Å; F569-L572 PolarHBondContact O-N 3.37Å; F569-L576 HydrophobicContact CD1-CD2 4.3Å; F569-L576 HydrophobicContact CE1-CD1 4.36Å; F569-L576 HydrophobicContact CE1-CD2 4.21Å; F569-I615 HydrophobicContact CE1-CG2 3.87Å; F569-I615 HydrophobicContact CZ-CG2 4.28Å; F569-L619 HydrophobicContact CD2-CD2 4.37Å; F569-L619 HydrophobicContact CE1-CD2 4.27Å; F569-L619 HydrophobicContact CE2-CD1 3.88Å; F569-L619 HydrophobicContact CE2-CD2 3.86Å; F569-L619 HydrophobicContact CE2-CG 4.44Å; F569-L619 HydrophobicContact CZ-CD1 4.22Å; F569-L619 HydrophobicContact CZ-CD2 3.81Å; F569-L619 HydrophobicContact CZ-CG 4.41Å; F569-S647 CarbonylContact C-O 3.58Å; F569-L648 HydrophobicContact CB-CD2 3.76Å; F569-L648 HydrophobicContact CD1-CD2 4.11Å; F569-L648 HydrophobicContact CD2-CD2 4.21Å; F569-L648 HydrophobicContact CG-CD2 3.77Å |
| 570 | R | 90.6 | Very high | 89.4 | Confident | 174 Ų | 174 | 53 Ų | 53 | 66% | 0.657 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.7 | -24.4 | 175.4 | -162.3 | -174.6 | 74.1 | 170.4 | 2.1 | 112.8 | K566 S647 | K566-R570 WeakPolarHBondContact O-CB 3.49Å; K566-R570 PolarHBondContact O-N 3.19Å; R570-S647 PolarHBondContact N-O 3.48Å |
| 571 | G | 84.6 | Confident | 89.2 | Confident | 61 Ų | 61 | 53.8 Ų | 53.8 | 63% | 0.629 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 6.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L567 Y568 F569 E573 | L567-G571 PolarHBondContact O-N 2.92Å; Y568-G571 PolarHBondContact O-N 3.49Å; F569-G571 PolarHBondContact O-N 2.84Å; G571-E573 PolarHBondContact O-N 2.9Å |
| 572 | L | 85.1 | Confident | 88.9 | Confident | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | trans | -71.8 | 127.6 | 178.2 | -64.8 | 176.4 | 0 | 0 | 0 | 111.4 | Y568 F569 H574 | Y568-L572 HydrophobicContact CE1-CD2 3.88Å; Y568-L572 HydrophobicContact CE2-CD2 4.4Å; Y568-L572 PolarHBondContact O-N 3.04Å; F569-L572 HydrophobicContact CD1-CD1 3.98Å; F569-L572 PolarHBondContact O-N 3.37Å; L572-H574 WeakPolarHBondContact CB-O 3.43Å; L572-H574 PolarHBondContact O-N 3.14Å; L572-H574 VanDerWaalsContact O-N 3.12Å | ||
| 573 | E | 79.3 | Confident | 88.7 | Confident | 179 Ų | 179 | 58.9 Ų | 58.9 | 84% | 0.836 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -52.9 | -31.7 | 171.1 | -176.1 | -174.7 | -145.9 | 0 | 0 | 112.3 | G571 | G571-E573 PolarHBondContact O-N 2.9Š|
| 574 | H | 80.4 | Confident | 88.5 | Confident | 146 Ų | 146 | 63 Ų | 63 | 68% | 0.676 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -120.5 | 103.8 | 171.6 | -62.5 | 73 | 0 | 0 | 0 | 107.8 | L572 | L572-H574 WeakPolarHBondContact CB-O 3.43Å; L572-H574 PolarHBondContact O-N 3.14Å; L572-H574 VanDerWaalsContact O-N 3.12Å |
| 575 | P | 85 | Confident | 88.3 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 31% | 0.305 | 32% | 0.316 | S | S | . | . | trans | -55 | 149.8 | -179.7 | -28.7 | 36.1 | 0 | 0 | 0 | 112.9 | F577 | P575-F577 PolarHBondContact O-N 2.84Š| ||
| 576 | L | 86.9 | Confident | 88.1 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -58.5 | -38.4 | -175.5 | -164.5 | 71.7 | 0 | 0 | 0 | 111.4 | F569 T612 I615 M616 L619 L648 | F569-L576 HydrophobicContact CD1-CD2 4.3Å; F569-L576 HydrophobicContact CE1-CD1 4.36Å; F569-L576 HydrophobicContact CE1-CD2 4.21Å; L576-T612 HydrophobicContact CD1-CG2 3.99Å; L576-I615 HydrophobicContact CD1-CB 4.38Å; L576-I615 HydrophobicContact CD1-CG2 3.88Å; L576-M616 HydrophobicContact CD1-CG 4.18Å; L576-M616 HydrophobicContact CD2-CG 3.84Å; L576-M616 HydrophobicContact CG-CE 4.01Å; L576-M616 HydrophobicContact CG-CG 3.87Å; L576-M616 WeakPolarHBondContact O-CE 3.37Å; L576-L619 HydrophobicContact CD2-CD2 4Å; L576-L648 HydrophobicContact CB-CD2 4.47Å; L576-L648 HydrophobicContact CD2-CD2 3.93Å |
| 577 | F | 90.6 | Very high | 87.7 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -104.9 | 107.8 | 165.4 | -62.6 | -97.6 | 0 | 0 | 0 | 109.8 | P575 L585 L605 M616 F620 L648 M649 I668 I671 | P575-F577 PolarHBondContact O-N 2.84Å; F577-L585 HydrophobicContact CD1-CD1 3.75Å; F577-L585 HydrophobicContact CE1-CD1 4.31Å; F577-L605 HydrophobicContact CD1-CD2 3.91Å; F577-L605 HydrophobicContact CE1-CD1 4.31Å; F577-L605 HydrophobicContact CE1-CD2 3.75Å; F577-M616 HydrophobicContact CD1-CE 3.73Å; F577-M616 HydrophobicContact CD2-CE 4.09Å; F577-M616 HydrophobicContact CE1-CE 3.67Å; F577-M616 HydrophobicContact CE1-SD 4.43Å; F577-M616 HydrophobicContact CE2-CE 4.04Å; F577-M616 HydrophobicContact CG-CE 3.95Å; F577-M616 HydrophobicContact CZ-CE 3.84Å; F577-M616 HydrophobicContact CZ-SD 4.44Å; F577-F620 AromaticContact CE2-CE2 3.99Å; F577-F620 HydrophobicContact CE2-CE2 3.99Å; F577-F620 AromaticContact CE2-CZ 3.95Å; F577-F620 HydrophobicContact CE2-CZ 3.95Å; F577-F620 AromaticContact CZ-CE2 3.74Å; F577-F620 HydrophobicContact CZ-CE2 3.74Å; F577-F620 AromaticContact CZ-CZ 3.8Å; F577-F620 HydrophobicContact CZ-CZ 3.8Å; F577-L648 HydrophobicContact CD2-CB 3.96Å; F577-L648 WeakPolarHBondContact CD2-O 3.47Å; F577-L648 HydrophobicContact CE2-CB 4.03Å; F577-L648 HydrophobicContact CE2-CD1 4.33Å; F577-L648 PolarHBondContact N-O 3.45Å; F577-M649 HydrophobicContact CB-CB 4.21Å; F577-M649 HydrophobicContact CB-CE 3.61Å; F577-M649 HydrophobicContact CB-CG 4.43Å; F577-M649 HydrophobicContact CD1-CE 3.73Å; F577-M649 HydrophobicContact CG-CE 3.72Å; F577-I668 HydrophobicContact CE2-CD1 3.84Å; F577-I668 HydrophobicContact CZ-CD1 3.98Å; F577-I671 HydrophobicContact CE1-CD1 3.77Å; F577-I671 HydrophobicContact CZ-CD1 3.78Å |
| 578 | P | 88.4 | Confident | 87.6 | Confident | 38 Ų | 38 | 63.5 Ų | 63.5 | 25% | 0.247 | 33% | 0.329 | C | S | . | . | trans | -63 | 147.6 | 177.7 | -24.6 | 35.3 | 0 | 0 | 0 | 113.1 | D580 I581 L608 | P578-D580 PolarHBondContact O-N 2.75Å; P578-D580 VanDerWaalsContact O-N 3.16Å; P578-I581 VanDerWaalsContact O-CG1 3.32Å; P578-I581 WeakPolarHBondContact O-CG1 3.28Å; P578-I581 PolarHBondContact O-N 2.75Å; P578-L608 HydrophobicContact CG-CD2 3.78Å | ||
| 579 | K | 85 | Confident | 87.3 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -54.2 | -34.7 | 176.4 | -68.8 | -174.7 | -179.8 | 178.4 | 0 | 112.4 | I581 F582 P652 E653 | K579-I581 PolarHBondContact O-N 3.5Å; K579-I581 VanDerWaalsContact O-N 3.16Å; K579-F582 WeakPolarHBondContact O-CB 3.49Å; K579-F582 PolarHBondContact O-N 2.87Å; K579-P652 HydrophobicContact CB-CG 4.37Å; K579-P652 HydrophobicContact CD-CB 4.46Å; K579-P652 HydrophobicContact CG-CG 4.4Å; K579-E653 IonicContact NZ-OE1 2.72Å; K579-E653 PolarHBondContact NZ-OE1 2.75Å; K579-E653 IonicContact NZ-OE2 3.95Å |
| 580 | D | 86.6 | Confident | 86.9 | Confident | 149 Ų | 149 | 65.9 Ų | 65.9 | 80% | 0.797 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -57.8 | -30 | -177.3 | -55.4 | -45.2 | 0 | 0 | 0 | 114.5 | P578 | P578-D580 PolarHBondContact O-N 2.75Å; P578-D580 VanDerWaalsContact O-N 3.16Å |
| 581 | I | 89.8 | Confident | 86.7 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -99.4 | 4.2 | -179.9 | 63.3 | 166.8 | 0 | 0 | 0 | 113.3 | P578 K579 H583 D584 L585 V604 L605 L608 | P578-I581 VanDerWaalsContact O-CG1 3.32Å; P578-I581 WeakPolarHBondContact O-CG1 3.28Å; P578-I581 PolarHBondContact O-N 2.75Å; K579-I581 PolarHBondContact O-N 3.5Å; K579-I581 VanDerWaalsContact O-N 3.16Å; I581-H583 PolarHBondContact O-N 2.85Å; I581-D584 PolarHBondContact O-N 3.37Å; I581-L585 HydrophobicContact CD1-CD1 3.74Å; I581-L585 HydrophobicContact CD1-CG 4.47Å; I581-L585 HydrophobicContact CG1-CD1 4.01Å; I581-L585 WeakPolarHBondContact O-CG 3.41Å; I581-L585 PolarHBondContact O-N 2.84Å; I581-V604 HydrophobicContact CB-CG1 3.94Å; I581-V604 HydrophobicContact CD1-CG1 4.38Å; I581-V604 HydrophobicContact CG2-CG1 4.25Å; I581-L605 HydrophobicContact CD1-CD2 3.92Å; I581-L608 HydrophobicContact CD1-CD1 3.98Å; I581-L608 HydrophobicContact CD1-CD2 4.02Å; I581-L608 HydrophobicContact CD1-CG 4.21Å |
| 582 | F | 88.9 | Confident | 86.5 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 1% | 0.013 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.5 | -49.2 | -175.3 | -177.8 | -98.5 | 0 | 0 | 0 | 112.1 | K579 D584 L585 M586 M649 V651 P652 C660 V664 | K579-F582 WeakPolarHBondContact O-CB 3.49Å; K579-F582 PolarHBondContact O-N 2.87Å; F582-D584 PolarHBondContact O-N 2.84Å; F582-L585 PolarHBondContact O-N 3.18Å; F582-M586 HydrophobicContact CD1-CG 3.96Å; F582-M586 HydrophobicContact CD2-CG 4.46Å; F582-M586 HydrophobicContact CE1-CG 3.62Å; F582-M586 HydrophobicContact CE1-SD 4.42Å; F582-M586 HydrophobicContact CE2-CE 4.23Å; F582-M586 HydrophobicContact CE2-CG 4.16Å; F582-M586 HydrophobicContact CE2-SD 4.24Å; F582-M586 HydrophobicContact CG-CG 4.37Å; F582-M586 HydrophobicContact CZ-CG 3.73Å; F582-M586 HydrophobicContact CZ-SD 3.93Å; F582-M586 VanDerWaalsContact O-CG 3.31Å; F582-M586 WeakPolarHBondContact O-CG 3.49Å; F582-M586 PolarHBondContact O-N 2.87Å; F582-M649 HydrophobicContact CD2-CG 3.86Å; F582-M649 HydrophobicContact CD2-SD 3.61Å; F582-M649 HydrophobicContact CE2-CG 4.02Å; F582-M649 HydrophobicContact CE2-SD 3.73Å; F582-V651 HydrophobicContact CE2-CG2 4.46Å; F582-V651 HydrophobicContact CZ-CB 4.45Å; F582-V651 HydrophobicContact CZ-CG1 4.11Å; F582-V651 HydrophobicContact CZ-CG2 4.32Å; F582-P652 HydrophobicContact CB-CG 3.95Å; F582-P652 VanDerWaalsContact CD1-CD 3.45Å; F582-P652 HydrophobicContact CD1-CG 3.72Å; F582-P652 HydrophobicContact CD2-CG 4.37Å; F582-P652 HydrophobicContact CE1-CG 4.29Å; F582-P652 HydrophobicContact CG-CG 3.76Å; F582-C660 HydrophobicContact CZ-CB 4.33Å; F582-V664 HydrophobicContact CE2-CG2 3.92Å; F582-V664 HydrophobicContact CZ-CG2 4.35Å |
| 583 | H | 88.3 | Confident | 86.7 | Confident | 104 Ų | 104 | 65.5 Ų | 65.5 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | -178.4 | -56.4 | -49 | 0 | 0 | 0 | 113 | I581 L585 M586 A587 H655 | I581-H583 PolarHBondContact O-N 2.85Å; H583-L585 VanDerWaalsContact C-N 3.31Å; H583-L585 PolarHBondContact O-N 2.96Å; H583-M586 PolarHBondContact O-N 2.85Å; H583-A587 WeakPolarHBondContact O-CB 3.44Å; H583-A587 PolarHBondContact O-N 3.34Å; H583-H655 AromaticContact CE1-CD2 3.9Å |
| 584 | D | 89.3 | Confident | 87 | Confident | 98 Ų | 98 | 59.5 Ų | 59.5 | 52% | 0.524 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 176.3 | -77.3 | -12.6 | 0 | 0 | 0 | 111.6 | I581 F582 C588 V604 | I581-D584 PolarHBondContact O-N 3.37Å; F582-D584 PolarHBondContact O-N 2.84Å; D584-C588 PolarHBondContact O-N 3.18Å; D584-C588 PolarHBondContact O-SG 3.21Å; D584-V604 HydrophobicContact CB-CG1 3.91Å; D584-V604 HydrophobicContact CB-CG2 3.91Å |
| 585 | L | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.9 | -40 | 175.5 | -69.3 | 176.7 | 0 | 0 | 0 | 112.7 | F577 I581 F582 H583 A587 C588 I601 V604 L605 M649 L667 | F577-L585 HydrophobicContact CD1-CD1 3.75Å; F577-L585 HydrophobicContact CE1-CD1 4.31Å; I581-L585 HydrophobicContact CD1-CD1 3.74Å; I581-L585 HydrophobicContact CD1-CG 4.47Å; I581-L585 HydrophobicContact CG1-CD1 4.01Å; I581-L585 WeakPolarHBondContact O-CG 3.41Å; I581-L585 PolarHBondContact O-N 2.84Å; F582-L585 PolarHBondContact O-N 3.18Å; H583-L585 VanDerWaalsContact C-N 3.31Å; H583-L585 PolarHBondContact O-N 2.96Å; L585-A587 VanDerWaalsContact C-N 3.32Å; L585-A587 PolarHBondContact O-N 3.27Å; L585-C588 WeakPolarHBondContact O-CB 3.45Å; L585-C588 PolarHBondContact O-N 3.43Å; L585-I601 HydrophobicContact CD2-CG1 4.43Å; L585-I601 HydrophobicContact CD2-CG2 4.15Å; L585-V604 HydrophobicContact CD2-CB 3.92Å; L585-V604 HydrophobicContact CD2-CG1 3.76Å; L585-V604 HydrophobicContact CG-CG1 3.9Å; L585-L605 HydrophobicContact CD1-CD2 4.11Å; L585-L605 HydrophobicContact CD2-CD2 4.19Å; L585-L605 HydrophobicContact CD2-CG 4.44Å; L585-M649 HydrophobicContact CD1-CE 3.56Å; L585-L667 HydrophobicContact CB-CD1 4.41Å; L585-L667 HydrophobicContact CB-CD2 3.79Å; L585-L667 HydrophobicContact CD1-CD2 4.25Å |
| 586 | M | 89.9 | Confident | 87.4 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63 | -38.3 | 174.6 | -70.3 | -60 | 99.4 | 0 | 0 | 111.8 | F582 H583 C588 V589 M649 H663 V664 L667 | F582-M586 HydrophobicContact CD1-CG 3.96Å; F582-M586 HydrophobicContact CD2-CG 4.46Å; F582-M586 HydrophobicContact CE1-CG 3.62Å; F582-M586 HydrophobicContact CE1-SD 4.42Å; F582-M586 HydrophobicContact CE2-CE 4.23Å; F582-M586 HydrophobicContact CE2-CG 4.16Å; F582-M586 HydrophobicContact CE2-SD 4.24Å; F582-M586 HydrophobicContact CG-CG 4.37Å; F582-M586 HydrophobicContact CZ-CG 3.73Å; F582-M586 HydrophobicContact CZ-SD 3.93Å; F582-M586 VanDerWaalsContact O-CG 3.31Å; F582-M586 WeakPolarHBondContact O-CG 3.49Å; F582-M586 PolarHBondContact O-N 2.87Å; H583-M586 PolarHBondContact O-N 2.85Å; M586-C588 PolarHBondContact O-N 3.12Å; M586-V589 HydrophobicContact CE-CG2 4.43Å; M586-V589 WeakPolarHBondContact O-CB 3.49Å; M586-V589 PolarHBondContact O-N 3.32Å; M586-V589 VanDerWaalsContact O-N 3.08Å; M586-M649 HydrophobicContact CE-SD 3.99Å; M586-H663 HydrophobicContact SD-CB 3.57Å; M586-H663 VanDerWaalsContact SD-CB 3.57Å; M586-V664 HydrophobicContact CE-CG2 3.91Å; M586-V664 HydrophobicContact SD-CG2 4.22Å; M586-L667 HydrophobicContact CE-CB 4.33Å; M586-L667 HydrophobicContact CE-CD2 3.67Å |
| 587 | A | 87.3 | Confident | 87.7 | Confident | 58 Ų | 58 | 61 Ų | 61 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -31.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H583 L585 V589 T590 | H583-A587 WeakPolarHBondContact O-CB 3.44Å; H583-A587 PolarHBondContact O-N 3.34Å; L585-A587 VanDerWaalsContact C-N 3.32Å; L585-A587 PolarHBondContact O-N 3.27Å; A587-V589 VanDerWaalsContact C-N 3.31Å; A587-V589 PolarHBondContact O-N 3.42Å; A587-T590 PolarHBondContact O-OG1 3.43Å |
| 588 | C | 88.5 | Confident | 87.7 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 5% | 0.054 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.7 | -33.3 | 174.9 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | D584 L585 M586 T590 M591 R597 I601 | D584-C588 PolarHBondContact O-N 3.18Å; D584-C588 PolarHBondContact O-SG 3.21Å; L585-C588 WeakPolarHBondContact O-CB 3.45Å; L585-C588 PolarHBondContact O-N 3.43Å; M586-C588 PolarHBondContact O-N 3.12Å; C588-T590 PolarHBondContact O-N 2.98Å; C588-M591 WeakPolarHBondContact O-CB 3.28Å; C588-M591 WeakPolarHBondContact O-CG 3.31Å; C588-M591 PolarHBondContact O-N 3.24Å; C588-M591 VanDerWaalsContact O-N 3.1Å; C588-R597 HydrophobicContact CB-CG 4.44Å; C588-R597 WeakPolarHBondContact O-CG 3.43Å; C588-I601 HydrophobicContact CB-CG1 3.86Å |
| 589 | V | 87.2 | Confident | 87.8 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 9% | 0.085 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.5 | -28.6 | -176.4 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | M586 A587 M591 R597 H663 E666 L667 | M586-V589 HydrophobicContact CE-CG2 4.43Å; M586-V589 WeakPolarHBondContact O-CB 3.49Å; M586-V589 PolarHBondContact O-N 3.32Å; M586-V589 VanDerWaalsContact O-N 3.08Å; A587-V589 VanDerWaalsContact C-N 3.31Å; A587-V589 PolarHBondContact O-N 3.42Å; V589-M591 PolarHBondContact O-N 2.86Å; V589-R597 PolarHBondContact O-NH2 3.3Å; V589-H663 HydrophobicContact CG1-CB 4.36Å; V589-E666 HydrophobicContact CG1-CB 4.09Å; V589-E666 HydrophobicContact CG1-CG 3.88Å; V589-L667 HydrophobicContact CG2-CB 3.84Å; V589-L667 HydrophobicContact CG2-CD1 4.29Å |
| 590 | T | 82.7 | Confident | 88.1 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 2.2 | 178.4 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | A587 C588 | A587-T590 PolarHBondContact O-OG1 3.43Å; C588-T590 PolarHBondContact O-N 2.98Å |
| 591 | M | 86.2 | Confident | 88.4 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | trans | -88.7 | 124.9 | 176.3 | -59.5 | -174.9 | 70.7 | 0 | 0 | 111.1 | C588 V589 E596 R597 H600 | C588-M591 WeakPolarHBondContact O-CB 3.28Å; C588-M591 WeakPolarHBondContact O-CG 3.31Å; C588-M591 PolarHBondContact O-N 3.24Å; C588-M591 VanDerWaalsContact O-N 3.1Å; V589-M591 PolarHBondContact O-N 2.86Å; M591-E596 HydrophobicContact CE-CB 3.77Å; M591-R597 HydrophobicContact CB-CB 4.25Å; M591-R597 PolarHBondContact O-NE 3.42Å; M591-R597 PolarHBondContact O-NH2 3.17Å; M591-H600 HydrophobicContact SD-CB 4.26Å | ||
| 592 | D | 81.4 | Confident | 88.6 | Confident | 167 Ų | 167 | 58.3 Ų | 58.3 | 89% | 0.893 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -68.4 | -34 | 179.8 | -60.4 | -51.7 | 0 | 0 | 0 | 113.5 | L594 | D592-L594 PolarHBondContact O-N 3.1Š|
| 593 | N | 88.7 | Confident | 88.7 | Confident | 62 Ų | 62 | 65.5 Ų | 65.5 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | trans | -82.3 | 110.8 | -178.2 | -178.6 | -14.9 | 0 | 0 | 0 | 110.9 | Q595 E596 R597 | N593-Q595 VanDerWaalsContact C-N 3.32Å; N593-Q595 PolarHBondContact O-N 3.17Å; N593-Q595 PolarHBondContact OD1-N 3.44Å; N593-Q595 PolarHBondContact OD1-OE1 3.45Å; N593-E596 HydrophobicContact CB-CB 4.05Å; N593-E596 HydrophobicContact CB-CG 4.23Å; N593-E596 VanDerWaalsContact ND2-CD 3.32Å; N593-E596 WeakPolarHBondContact ND2-CG 3.44Å; N593-E596 PolarHBondContact ND2-OE1 3.12Å; N593-E596 PolarHBondContact O-N 2.77Å; N593-E596 PolarHBondContact OD1-N 2.99Å; N593-R597 VanDerWaalsContact O-CB 3.29Å; N593-R597 WeakPolarHBondContact O-CB 3.3Å; N593-R597 PolarHBondContact O-N 3.08Å | ||
| 594 | L | 85.9 | Confident | 88.9 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 28% | 0.277 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.7 | -37.4 | -177.9 | -174 | 65.4 | 0 | 0 | 0 | 113.5 | D592 A598 T670 Q674 | D592-L594 PolarHBondContact O-N 3.1Å; L594-A598 WeakPolarHBondContact O-CB 3.44Å; L594-A598 PolarHBondContact O-N 2.69Å; L594-T670 HydrophobicContact CD1-CG2 3.88Å; L594-Q674 HydrophobicContact CD1-CG 4.35Å; L594-Q674 HydrophobicContact CD2-CG 4.29Å; L594-Q674 HydrophobicContact CG-CG 4.07Å |
| 595 | Q | 86.4 | Confident | 89 | Confident | 115 Ų | 115 | 56.8 Ų | 56.8 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73 | -40.9 | 179.6 | -72.6 | 78.8 | -2.1 | 0 | 0 | 111.5 | N593 A598 L599 | N593-Q595 VanDerWaalsContact C-N 3.32Å; N593-Q595 PolarHBondContact O-N 3.17Å; N593-Q595 PolarHBondContact OD1-N 3.44Å; N593-Q595 PolarHBondContact OD1-OE1 3.45Å; Q595-A598 PolarHBondContact O-N 3.44Å; Q595-L599 WeakPolarHBondContact O-CG 3.22Å; Q595-L599 PolarHBondContact O-N 3.35Å; Q595-L599 VanDerWaalsContact O-N 3.08Å |
| 596 | E | 87.7 | Confident | 89 | Confident | 96 Ų | 96 | 61.3 Ų | 61.3 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 173.5 | -72.8 | 174.2 | -137.4 | 0 | 0 | 111.7 | M591 N593 L599 H600 | M591-E596 HydrophobicContact CE-CB 3.77Å; N593-E596 HydrophobicContact CB-CB 4.05Å; N593-E596 HydrophobicContact CB-CG 4.23Å; N593-E596 VanDerWaalsContact ND2-CD 3.32Å; N593-E596 WeakPolarHBondContact ND2-CG 3.44Å; N593-E596 PolarHBondContact ND2-OE1 3.12Å; N593-E596 PolarHBondContact O-N 2.77Å; N593-E596 PolarHBondContact OD1-N 2.99Å; E596-L599 PolarHBondContact O-N 2.65Å; E596-H600 PolarHBondContact O-N 2.94Å; E596-H600 PolarHBondContact O-ND1 3.2Å |
| 597 | R | 91.6 | Very high | 89 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 172.1 | -176.9 | -170.2 | -65.1 | 178.9 | 0.1 | 110.7 | C588 V589 M591 N593 L599 H600 I601 E666 T670 | C588-R597 HydrophobicContact CB-CG 4.44Å; C588-R597 WeakPolarHBondContact O-CG 3.43Å; V589-R597 PolarHBondContact O-NH2 3.3Å; M591-R597 HydrophobicContact CB-CB 4.25Å; M591-R597 PolarHBondContact O-NE 3.42Å; M591-R597 PolarHBondContact O-NH2 3.17Å; N593-R597 VanDerWaalsContact O-CB 3.29Å; N593-R597 WeakPolarHBondContact O-CB 3.3Å; N593-R597 PolarHBondContact O-N 3.08Å; R597-L599 PolarHBondContact O-N 2.93Å; R597-H600 PolarHBondContact O-N 2.97Å; R597-I601 HydrophobicContact CG-CD1 3.89Å; R597-I601 VanDerWaalsContact O-CG1 3.3Å; R597-I601 WeakPolarHBondContact O-CG1 3.45Å; R597-I601 PolarHBondContact O-N 3.19Å; R597-E666 IonicContact CZ-OE1 3.16Å; R597-E666 IonicContact NH1-OE1 3.82Å; R597-E666 PolarHBondContact NH1-OE1 3.04Å; R597-T670 HydrophobicContact CG-CG2 4.17Å; R597-T670 PolarHBondContact NH1-OG1 3.31Å; R597-T670 VanDerWaalsContact NH1-OG1 3.11Å |
| 598 | A | 91.1 | Very high | 89 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L594 Q595 I601 R602 Q674 I678 | L594-A598 WeakPolarHBondContact O-CB 3.44Å; L594-A598 PolarHBondContact O-N 2.69Å; Q595-A598 PolarHBondContact O-N 3.44Å; A598-I601 PolarHBondContact O-N 2.62Å; A598-R602 WeakPolarHBondContact O-CB 3.24Å; A598-R602 PolarHBondContact O-N 2.79Å; A598-Q674 HydrophobicContact CB-CB 3.93Å; A598-Q674 HydrophobicContact CB-CG 4.16Å; A598-I678 HydrophobicContact CB-CD1 4.12Å; A598-I678 HydrophobicContact CB-CG1 3.84Å |
| 599 | L | 90.9 | Very high | 89.1 | Confident | 111 Ų | 111 | 67.3 Ų | 67.3 | 58% | 0.581 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.7 | -36.5 | 176.3 | -71.2 | 171.8 | 0 | 0 | 0 | 112.9 | Q595 E596 R597 K603 | Q595-L599 WeakPolarHBondContact O-CG 3.22Å; Q595-L599 PolarHBondContact O-N 3.35Å; Q595-L599 VanDerWaalsContact O-N 3.08Å; E596-L599 PolarHBondContact O-N 2.65Å; R597-L599 PolarHBondContact O-N 2.93Å; L599-K603 PolarHBondContact O-N 3.28Å; L599-K603 VanDerWaalsContact O-N 3.12Å |
| 600 | H | 90.5 | Very high | 89.1 | Confident | 80 Ų | 80 | 73.7 Ų | 73.7 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.7 | -42.2 | 174.5 | -74.3 | 82.4 | 0 | 0 | 0 | 111.8 | M591 E596 R597 R602 K603 V604 | M591-H600 HydrophobicContact SD-CB 4.26Å; E596-H600 PolarHBondContact O-N 2.94Å; E596-H600 PolarHBondContact O-ND1 3.2Å; R597-H600 PolarHBondContact O-N 2.97Å; H600-R602 PolarHBondContact O-N 2.81Å; H600-K603 WeakPolarHBondContact O-CB 3.46Å; H600-K603 PolarHBondContact O-N 3.1Å; H600-K603 VanDerWaalsContact O-N 3.14Å; H600-V604 WeakPolarHBondContact O-CG2 3.48Å; H600-V604 PolarHBondContact O-N 3.45Å |
| 601 | I | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 172.9 | -66.4 | 163.4 | 0 | 0 | 0 | 110.6 | L585 C588 R597 A598 K603 V604 L605 L667 T670 I671 I678 | L585-I601 HydrophobicContact CD2-CG1 4.43Å; L585-I601 HydrophobicContact CD2-CG2 4.15Å; C588-I601 HydrophobicContact CB-CG1 3.86Å; R597-I601 HydrophobicContact CG-CD1 3.89Å; R597-I601 VanDerWaalsContact O-CG1 3.3Å; R597-I601 WeakPolarHBondContact O-CG1 3.45Å; R597-I601 PolarHBondContact O-N 3.19Å; A598-I601 PolarHBondContact O-N 2.62Å; I601-K603 VanDerWaalsContact C-N 3.3Å; I601-K603 PolarHBondContact O-N 2.84Å; I601-V604 PolarHBondContact O-N 3.44Å; I601-V604 VanDerWaalsContact O-N 3.16Å; I601-L605 HydrophobicContact CG2-CD1 3.67Å; I601-L605 HydrophobicContact CG2-CG 4.03Å; I601-L605 WeakPolarHBondContact O-CG 3.39Å; I601-L605 PolarHBondContact O-N 3.49Å; I601-L667 HydrophobicContact CD1-CD1 3.61Å; I601-L667 HydrophobicContact CG1-CD1 3.94Å; I601-T670 HydrophobicContact CD1-CG2 3.64Å; I601-I671 HydrophobicContact CG2-CD1 4.17Å; I601-I671 HydrophobicContact CG2-CG1 4.04Å; I601-I678 HydrophobicContact CB-CD1 4.45Å; I601-I678 HydrophobicContact CD1-CD1 4.47Å; I601-I678 HydrophobicContact CG2-CD1 4.18Å; I601-I678 HydrophobicContact CG2-CG1 4.43Å; I601-I678 HydrophobicContact CG2-CG2 3.91Å |
| 602 | R | 93.5 | Very high | 89.5 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54 | -46 | 173.9 | 179.1 | 158.5 | 179.4 | 168.7 | 0.9 | 112 | A598 H600 V604 L605 L606 N677 I678 E684 | A598-R602 WeakPolarHBondContact O-CB 3.24Å; A598-R602 PolarHBondContact O-N 2.79Å; H600-R602 PolarHBondContact O-N 2.81Å; R602-V604 VanDerWaalsContact C-N 3.33Å; R602-V604 PolarHBondContact O-N 3.48Å; R602-L605 PolarHBondContact O-N 2.9Å; R602-L606 HydrophobicContact CG-CD1 3.82Å; R602-L606 HydrophobicContact CG-CG 4.29Å; R602-L606 VanDerWaalsContact O-CB 3.31Å; R602-L606 WeakPolarHBondContact O-CB 3.32Å; R602-L606 WeakPolarHBondContact O-CD1 3.45Å; R602-L606 WeakPolarHBondContact O-CG 3.47Å; R602-L606 PolarHBondContact O-N 3.17Å; R602-N677 WeakPolarHBondContact CD-O 3.46Å; R602-N677 PolarHBondContact NH1-O 3.05Å; R602-I678 WeakPolarHBondContact CB-O 3.26Å; R602-I678 VanDerWaalsContact CD-O 3.31Å; R602-I678 WeakPolarHBondContact CD-O 3.5Å; R602-I678 WeakPolarHBondContact CG-O 3.27Å; R602-E684 IonicContact CZ-OE2 2.7Å; R602-E684 IonicContact NH2-OE1 2.64Å; R602-E684 PolarHBondContact NH2-OE1 3.41Å; R602-E684 IonicContact NH2-OE2 3.11Å; R602-E684 PolarHBondContact NH2-OE2 3.06Å |
| 603 | K | 92.2 | Very high | 89.9 | Confident | 153 Ų | 153 | 64.2 Ų | 64.2 | 67% | 0.665 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.7 | -38.1 | 179.5 | -175.3 | -172.6 | 173.2 | -166.2 | 0 | 112.6 | L599 H600 I601 | L599-K603 PolarHBondContact O-N 3.28Å; L599-K603 VanDerWaalsContact O-N 3.12Å; H600-K603 WeakPolarHBondContact O-CB 3.46Å; H600-K603 PolarHBondContact O-N 3.1Å; H600-K603 VanDerWaalsContact O-N 3.14Å; I601-K603 VanDerWaalsContact C-N 3.3Å; I601-K603 PolarHBondContact O-N 2.84Å |
| 604 | V | 92.5 | Very high | 90 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.7 | -47.8 | 177 | 178.9 | 0 | 0 | 0 | 0 | 111 | I581 D584 L585 H600 I601 R602 L606 V607 | I581-V604 HydrophobicContact CB-CG1 3.94Å; I581-V604 HydrophobicContact CD1-CG1 4.38Å; I581-V604 HydrophobicContact CG2-CG1 4.25Å; D584-V604 HydrophobicContact CB-CG1 3.91Å; D584-V604 HydrophobicContact CB-CG2 3.91Å; L585-V604 HydrophobicContact CD2-CB 3.92Å; L585-V604 HydrophobicContact CD2-CG1 3.76Å; L585-V604 HydrophobicContact CG-CG1 3.9Å; H600-V604 WeakPolarHBondContact O-CG2 3.48Å; H600-V604 PolarHBondContact O-N 3.45Å; I601-V604 PolarHBondContact O-N 3.44Å; I601-V604 VanDerWaalsContact O-N 3.16Å; R602-V604 VanDerWaalsContact C-N 3.33Å; R602-V604 PolarHBondContact O-N 3.48Å; V604-L606 VanDerWaalsContact C-N 3.29Å; V604-L606 PolarHBondContact O-N 2.87Å; V604-V607 WeakPolarHBondContact O-CB 3.38Å; V604-V607 WeakPolarHBondContact O-CG2 3.5Å; V604-V607 PolarHBondContact O-N 3.41Å |
| 605 | L | 91.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.7 | -28.1 | -178.6 | -62.6 | -177.5 | 0 | 0 | 0 | 113.1 | F577 I581 L585 I601 R602 V607 L608 L613 M616 I671 I678 F679 | F577-L605 HydrophobicContact CD1-CD2 3.91Å; F577-L605 HydrophobicContact CE1-CD1 4.31Å; F577-L605 HydrophobicContact CE1-CD2 3.75Å; I581-L605 HydrophobicContact CD1-CD2 3.92Å; L585-L605 HydrophobicContact CD1-CD2 4.11Å; L585-L605 HydrophobicContact CD2-CD2 4.19Å; L585-L605 HydrophobicContact CD2-CG 4.44Å; I601-L605 HydrophobicContact CG2-CD1 3.67Å; I601-L605 HydrophobicContact CG2-CG 4.03Å; I601-L605 WeakPolarHBondContact O-CG 3.39Å; I601-L605 PolarHBondContact O-N 3.49Å; R602-L605 PolarHBondContact O-N 2.9Å; L605-V607 PolarHBondContact O-N 2.91Å; L605-L608 HydrophobicContact CD2-CD1 3.88Å; L605-L608 VanDerWaalsContact O-CB 3.27Å; L605-L608 WeakPolarHBondContact O-CB 3.37Å; L605-L608 WeakPolarHBondContact O-CG 3.31Å; L605-L608 PolarHBondContact O-N 2.91Å; L605-L613 HydrophobicContact CB-CD2 4.2Å; L605-M616 HydrophobicContact CD1-SD 4.34Å; L605-M616 HydrophobicContact CD2-CE 4.27Å; L605-M616 HydrophobicContact CD2-SD 4.41Å; L605-I671 HydrophobicContact CD1-CD1 4.5Å; L605-I678 HydrophobicContact CD1-CG2 3.84Å; L605-F679 HydrophobicContact CD1-CE1 3.86Å; L605-F679 HydrophobicContact CD1-CZ 4.12Å |
| 606 | L | 89.8 | Confident | 90.6 | Very high | 94 Ų | 94 | 55 Ų | 55 | 49% | 0.492 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.8 | 174.3 | -82.9 | 170.5 | 0 | 0 | 0 | 114.8 | R602 V604 L608 P680 | R602-L606 HydrophobicContact CG-CD1 3.82Å; R602-L606 HydrophobicContact CG-CG 4.29Å; R602-L606 VanDerWaalsContact O-CB 3.31Å; R602-L606 WeakPolarHBondContact O-CB 3.32Å; R602-L606 WeakPolarHBondContact O-CD1 3.45Å; R602-L606 WeakPolarHBondContact O-CG 3.47Å; R602-L606 PolarHBondContact O-N 3.17Å; V604-L606 VanDerWaalsContact C-N 3.29Å; V604-L606 PolarHBondContact O-N 2.87Å; L606-L608 VanDerWaalsContact C-N 3.32Å; L606-P680 HydrophobicContact CD2-CG 3.87Å |
| 607 | V | 89.3 | Confident | 90.8 | Very high | 117 Ų | 117 | 51 Ų | 51 | 71% | 0.709 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -20.1 | 171.2 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | V604 L605 | V604-V607 WeakPolarHBondContact O-CB 3.38Å; V604-V607 WeakPolarHBondContact O-CG2 3.5Å; V604-V607 PolarHBondContact O-N 3.41Å; L605-V607 PolarHBondContact O-N 2.91Å |
| 608 | L | 88.8 | Confident | 90.9 | Very high | 18 Ų | 18 | 51 Ų | 51 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -75.1 | 157.1 | -175.3 | -63.4 | 178 | 0 | 0 | 0 | 113.6 | P578 I581 L605 L606 T612 L613 M616 | P578-L608 HydrophobicContact CG-CD2 3.78Å; I581-L608 HydrophobicContact CD1-CD1 3.98Å; I581-L608 HydrophobicContact CD1-CD2 4.02Å; I581-L608 HydrophobicContact CD1-CG 4.21Å; L605-L608 HydrophobicContact CD2-CD1 3.88Å; L605-L608 VanDerWaalsContact O-CB 3.27Å; L605-L608 WeakPolarHBondContact O-CB 3.37Å; L605-L608 WeakPolarHBondContact O-CG 3.31Å; L605-L608 PolarHBondContact O-N 2.91Å; L606-L608 VanDerWaalsContact C-N 3.32Å; L608-T612 HydrophobicContact CD1-CG2 4.4Å; L608-L613 HydrophobicContact CB-CG 4.3Å; L608-M616 HydrophobicContact CD1-CE 3.5Å; L608-M616 VanDerWaalsContact CD1-CE 3.5Å; L608-M616 HydrophobicContact CD1-SD 4.12Å |
| 609 | P | 89.8 | Confident | 91.1 | Very high | 82 Ų | 82 | 51 Ų | 51 | 53% | 0.532 | 26% | 0.261 | S | S | . | . | trans | -56.5 | 142.1 | 175.2 | -24.5 | 34.4 | 0 | 0 | 0 | 112.8 | T611 T612 L613 | P609-T611 PolarHBondContact O-N 3.43Å; P609-T611 VanDerWaalsContact O-N 3.14Å; P609-T612 WeakPolarHBondContact O-CB 3.48Å; P609-T612 PolarHBondContact O-N 3.35Å; P609-L613 PolarHBondContact O-N 3.28Å | ||
| 610 | K | 87.3 | Confident | 91.3 | Very high | 148 Ų | 148 | 45.7 Ų | 45.7 | 64% | 0.643 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -52 | -39.2 | 179.8 | -72.8 | -168.6 | 174.7 | -166.9 | 0 | 113.3 | L613 I614 L685 | K610-L613 PolarHBondContact O-N 3.1Å; K610-I614 WeakPolarHBondContact O-CG1 3.39Å; K610-I614 PolarHBondContact O-N 3.42Å; K610-L685 HydrophobicContact CB-CD1 4.04Å; K610-L685 HydrophobicContact CD-CD1 3.9Å; K610-L685 HydrophobicContact CG-CD1 3.94Å |
| 611 | T | 86.7 | Confident | 91.4 | Very high | 81 Ų | 81 | 42.3 Ų | 42.3 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 177.6 | -40.3 | 0 | 0 | 0 | 0 | 111.8 | P609 L613 I614 I615 | P609-T611 PolarHBondContact O-N 3.43Å; P609-T611 VanDerWaalsContact O-N 3.14Å; T611-L613 VanDerWaalsContact C-N 3.32Å; T611-L613 PolarHBondContact O-N 3.44Å; T611-I614 PolarHBondContact O-N 3.09Å; T611-I615 HydrophobicContact CG2-CD1 4.38Å; T611-I615 WeakPolarHBondContact O-CG1 3.5Å; T611-I615 PolarHBondContact O-N 3.13Å |
| 612 | T | 89.8 | Confident | 91.5 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 20% | 0.202 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.8 | -46.8 | 0 | 0 | 0 | 0 | 110.8 | L576 L608 P609 I614 I615 M616 | L576-T612 HydrophobicContact CD1-CG2 3.99Å; L608-T612 HydrophobicContact CD1-CG2 4.4Å; P609-T612 WeakPolarHBondContact O-CB 3.48Å; P609-T612 PolarHBondContact O-N 3.35Å; T612-I614 PolarHBondContact O-N 3.17Å; T612-I615 PolarHBondContact O-N 3.12Å; T612-M616 HydrophobicContact CG2-CE 4.27Å; T612-M616 WeakPolarHBondContact O-CB 3.42Å; T612-M616 WeakPolarHBondContact O-CG 3.44Å; T612-M616 PolarHBondContact O-N 3.14Å |
| 613 | L | 90.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -34.3 | 176.8 | -74.7 | 170.9 | 0 | 0 | 0 | 113.5 | L605 L608 P609 K610 T611 M616 R617 F679 L685 | L605-L613 HydrophobicContact CB-CD2 4.2Å; L608-L613 HydrophobicContact CB-CG 4.3Å; P609-L613 PolarHBondContact O-N 3.28Å; K610-L613 PolarHBondContact O-N 3.1Å; T611-L613 VanDerWaalsContact C-N 3.32Å; T611-L613 PolarHBondContact O-N 3.44Å; L613-M616 HydrophobicContact CD2-SD 4.38Å; L613-R617 WeakPolarHBondContact O-CB 3.32Å; L613-R617 PolarHBondContact O-N 3.06Å; L613-F679 HydrophobicContact CD2-CD1 4.23Å; L613-F679 HydrophobicContact CD2-CE1 4.36Å; L613-L685 HydrophobicContact CB-CD2 3.72Å |
| 614 | I | 90.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | 173.3 | -69.9 | 161.7 | 0 | 0 | 0 | 110.5 | A503 I504 K610 T611 T612 R617 Y618 L685 | A503-I614 HydrophobicContact CB-CG2 4.37Å; I504-I614 HydrophobicContact CG1-CG2 4.22Å; K610-I614 WeakPolarHBondContact O-CG1 3.39Å; K610-I614 PolarHBondContact O-N 3.42Å; T611-I614 PolarHBondContact O-N 3.09Å; T612-I614 PolarHBondContact O-N 3.17Å; I614-R617 PolarHBondContact O-N 3.42Å; I614-Y618 WeakPolarHBondContact O-CB 3.36Å; I614-Y618 PolarHBondContact O-N 3.4Å; I614-L685 HydrophobicContact CG1-CD1 4.46Å; I614-L685 HydrophobicContact CG1-CD2 4.03Å; I614-L685 HydrophobicContact CG1-CG 4.04Å |
| 615 | I | 91.9 | Very high | 91.9 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 177.9 | -65 | 166.5 | 0 | 0 | 0 | 110.8 | P505 F569 L576 T611 T612 Y618 L619 | P505-I615 HydrophobicContact CG-CD1 4.2Å; F569-I615 HydrophobicContact CE1-CG2 3.87Å; F569-I615 HydrophobicContact CZ-CG2 4.28Å; L576-I615 HydrophobicContact CD1-CB 4.38Å; L576-I615 HydrophobicContact CD1-CG2 3.88Å; T611-I615 HydrophobicContact CG2-CD1 4.38Å; T611-I615 WeakPolarHBondContact O-CG1 3.5Å; T611-I615 PolarHBondContact O-N 3.13Å; T612-I615 PolarHBondContact O-N 3.12Å; I615-Y618 PolarHBondContact O-N 3.01Å; I615-L619 WeakPolarHBondContact O-CB 3.32Å; I615-L619 PolarHBondContact O-N 2.98Å |
| 616 | M | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -50.8 | 172.5 | -75.1 | -175.6 | 173.5 | 0 | 0 | 111.8 | L576 F577 L605 L608 T612 L613 Y618 L619 F620 F679 | L576-M616 HydrophobicContact CD1-CG 4.18Å; L576-M616 HydrophobicContact CD2-CG 3.84Å; L576-M616 HydrophobicContact CG-CE 4.01Å; L576-M616 HydrophobicContact CG-CG 3.87Å; L576-M616 WeakPolarHBondContact O-CE 3.37Å; F577-M616 HydrophobicContact CD1-CE 3.73Å; F577-M616 HydrophobicContact CD2-CE 4.09Å; F577-M616 HydrophobicContact CE1-CE 3.67Å; F577-M616 HydrophobicContact CE1-SD 4.43Å; F577-M616 HydrophobicContact CE2-CE 4.04Å; F577-M616 HydrophobicContact CG-CE 3.95Å; F577-M616 HydrophobicContact CZ-CE 3.84Å; F577-M616 HydrophobicContact CZ-SD 4.44Å; L605-M616 HydrophobicContact CD1-SD 4.34Å; L605-M616 HydrophobicContact CD2-CE 4.27Å; L605-M616 HydrophobicContact CD2-SD 4.41Å; L608-M616 HydrophobicContact CD1-CE 3.5Å; L608-M616 VanDerWaalsContact CD1-CE 3.5Å; L608-M616 HydrophobicContact CD1-SD 4.12Å; T612-M616 HydrophobicContact CG2-CE 4.27Å; T612-M616 WeakPolarHBondContact O-CB 3.42Å; T612-M616 WeakPolarHBondContact O-CG 3.44Å; T612-M616 PolarHBondContact O-N 3.14Å; L613-M616 HydrophobicContact CD2-SD 4.38Å; M616-Y618 PolarHBondContact O-N 3.49Å; M616-L619 PolarHBondContact O-N 3.35Å; M616-F620 HydrophobicContact CB-CD2 4.27Å; M616-F620 WeakPolarHBondContact O-CD2 3.27Å; M616-F620 PolarHBondContact O-N 2.88Å; M616-F679 HydrophobicContact CB-CD1 4.23Å; M616-F679 HydrophobicContact CB-CE1 3.5Å; M616-F679 VanDerWaalsContact CB-CE1 3.5Å; M616-F679 HydrophobicContact CB-CZ 3.72Å; M616-F679 HydrophobicContact CG-CE1 4.23Å; M616-F679 HydrophobicContact CG-CZ 4.45Å; M616-F679 HydrophobicContact SD-CE1 3.73Å; M616-F679 HydrophobicContact SD-CZ 4.2Å |
| 617 | R | 92.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 29.7 Ų | 29.7 | 5% | 0.045 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -34.6 | -179.3 | -175.8 | 170.1 | 58.5 | 47.4 | -15 | 112 | L613 I614 A621 F679 P680 L685 G687 P688 | L613-R617 WeakPolarHBondContact O-CB 3.32Å; L613-R617 PolarHBondContact O-N 3.06Å; I614-R617 PolarHBondContact O-N 3.42Å; R617-A621 VanDerWaalsContact O-CB 3.23Å; R617-A621 WeakPolarHBondContact O-CB 3.19Å; R617-A621 PolarHBondContact O-N 2.99Å; R617-F679 HydrophobicContact CB-CB 4Å; R617-F679 HydrophobicContact CB-CG 4.13Å; R617-F679 HydrophobicContact CG-CB 3.93Å; R617-F679 HydrophobicContact CG-CG 4.48Å; R617-P680 WeakPolarHBondContact CD-O 3.29Å; R617-P680 PolarHBondContact NE-O 2.87Å; R617-L685 PolarHBondContact NH2-O 3.43Å; R617-L685 VanDerWaalsContact NH2-O 3.13Å; R617-G687 PolarHBondContact NH2-O 2.89Å; R617-P688 PolarHBondContact NH1-O 3.35Å; R617-P688 PolarHBondContact NH2-O 3.05Å |
| 618 | Y | 92.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 28.5 Ų | 28.5 | 9% | 0.09 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.7 | -49 | 176.1 | -166.9 | -91.5 | 0 | 0 | 0 | 112.2 | I504 I512 I614 I615 M616 F622 Y690 | I504-Y618 HydrophobicContact CD1-CD1 3.88Å; I504-Y618 HydrophobicContact CD1-CD2 3.21Å; I504-Y618 HydrophobicContact CD1-CE1 4.25Å; I504-Y618 HydrophobicContact CD1-CE2 3.65Å; I504-Y618 HydrophobicContact CD1-CG 3.34Å; I512-Y618 HydrophobicContact CB-CE1 4.07Å; I512-Y618 HydrophobicContact CD1-CD1 3.8Å; I512-Y618 HydrophobicContact CD1-CE1 3.83Å; I512-Y618 HydrophobicContact CG2-CE1 3.72Å; I614-Y618 WeakPolarHBondContact O-CB 3.36Å; I614-Y618 PolarHBondContact O-N 3.4Å; I615-Y618 PolarHBondContact O-N 3.01Å; M616-Y618 PolarHBondContact O-N 3.49Å; Y618-F622 PolarHBondContact O-N 3.04Å; Y618-F622 VanDerWaalsContact O-N 3.09Å; Y618-Y690 HydrophobicContact CE1-CD2 4.3Å; Y618-Y690 HydrophobicContact CE2-CD2 4.35Å |
| 619 | L | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -50 | 179.7 | 177.3 | 64.6 | 0 | 0 | 0 | 112.1 | I512 F569 L576 I615 M616 A621 F622 L623 F644 L648 | I512-L619 HydrophobicContact CD1-CD1 4.14Å; F569-L619 HydrophobicContact CD2-CD2 4.37Å; F569-L619 HydrophobicContact CE1-CD2 4.27Å; F569-L619 HydrophobicContact CE2-CD1 3.88Å; F569-L619 HydrophobicContact CE2-CD2 3.86Å; F569-L619 HydrophobicContact CE2-CG 4.44Å; F569-L619 HydrophobicContact CZ-CD1 4.22Å; F569-L619 HydrophobicContact CZ-CD2 3.81Å; F569-L619 HydrophobicContact CZ-CG 4.41Å; L576-L619 HydrophobicContact CD2-CD2 4Å; I615-L619 WeakPolarHBondContact O-CB 3.32Å; I615-L619 PolarHBondContact O-N 2.98Å; M616-L619 PolarHBondContact O-N 3.35Å; L619-A621 PolarHBondContact O-N 2.93Å; L619-F622 WeakPolarHBondContact O-CB 3.41Å; L619-F622 PolarHBondContact O-N 3.08Å; L619-L623 HydrophobicContact CD1-CD1 4.2Å; L619-L623 HydrophobicContact CD1-CG 4.24Å; L619-L623 HydrophobicContact CG-CD1 4.08Å; L619-L623 HydrophobicContact CG-CG 4.46Å; L619-L623 WeakPolarHBondContact O-CG 3.43Å; L619-L623 PolarHBondContact O-N 3.49Å; L619-F644 HydrophobicContact CD1-CE1 4.3Å; L619-L648 HydrophobicContact CD2-CD1 3.99Å; L619-L648 HydrophobicContact CD2-CD2 3.83Å |
| 620 | F | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.8 | -29.5 | -175.9 | -77 | -72.4 | 0 | 0 | 0 | 113.1 | F577 M616 L623 N624 L648 I668 I671 I672 H675 F679 | F577-F620 AromaticContact CE2-CE2 3.99Å; F577-F620 HydrophobicContact CE2-CE2 3.99Å; F577-F620 AromaticContact CE2-CZ 3.95Å; F577-F620 HydrophobicContact CE2-CZ 3.95Å; F577-F620 AromaticContact CZ-CE2 3.74Å; F577-F620 HydrophobicContact CZ-CE2 3.74Å; F577-F620 AromaticContact CZ-CZ 3.8Å; F577-F620 HydrophobicContact CZ-CZ 3.8Å; M616-F620 HydrophobicContact CB-CD2 4.27Å; M616-F620 WeakPolarHBondContact O-CD2 3.27Å; M616-F620 PolarHBondContact O-N 2.88Å; F620-L623 HydrophobicContact CD1-CD1 4.33Å; F620-L623 HydrophobicContact CE1-CD1 4.44Å; F620-N624 VanDerWaalsContact O-CB 3.25Å; F620-N624 WeakPolarHBondContact O-CB 3.38Å; F620-N624 PolarHBondContact O-N 3.24Å; F620-L648 HydrophobicContact CE1-CD1 4.44Å; F620-L648 HydrophobicContact CE2-CD1 4.48Å; F620-L648 HydrophobicContact CZ-CD1 3.81Å; F620-I668 HydrophobicContact CE1-CG2 4.16Å; F620-I668 HydrophobicContact CZ-CD1 4.16Å; F620-I671 HydrophobicContact CB-CG2 4.4Å; F620-I671 HydrophobicContact CD1-CB 4.23Å; F620-I671 HydrophobicContact CD1-CG2 3.59Å; F620-I671 HydrophobicContact CD2-CG2 3.71Å; F620-I671 HydrophobicContact CE1-CB 4Å; F620-I671 HydrophobicContact CE1-CG2 3.64Å; F620-I671 HydrophobicContact CE2-CG2 3.78Å; F620-I671 HydrophobicContact CG-CG2 3.63Å; F620-I671 HydrophobicContact CZ-CB 4.3Å; F620-I671 HydrophobicContact CZ-CG2 3.75Å; F620-I672 HydrophobicContact CD1-CG1 3.71Å; F620-I672 HydrophobicContact CE1-CG1 3.91Å; F620-H675 HydrophobicContact CB-CB 4.04Å; F620-F679 HydrophobicContact CB-CE2 3.79Å; F620-F679 AromaticContact CD2-CE2 3.73Å; F620-F679 HydrophobicContact CD2-CE2 3.73Å; F620-F679 AromaticContact CD2-CZ 3.67Å; F620-F679 HydrophobicContact CD2-CZ 3.67Å; F620-F679 HydrophobicContact CE2-CZ 4.25Å; F620-F679 AromaticContact CG-CE2 3.97Å; F620-F679 HydrophobicContact CG-CE2 3.97Å; F620-F679 HydrophobicContact CG-CZ 4.36Å |
| 621 | A | 93.9 | Very high | 93 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 7% | 0.074 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.6 | -37.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R617 L619 H625 Y690 | R617-A621 VanDerWaalsContact O-CB 3.23Å; R617-A621 WeakPolarHBondContact O-CB 3.19Å; R617-A621 PolarHBondContact O-N 2.99Å; L619-A621 PolarHBondContact O-N 2.93Å; A621-H625 WeakPolarHBondContact O-CB 3.31Å; A621-H625 PolarHBondContact O-N 2.9Å; A621-Y690 HydrophobicContact CB-CD1 4.17Å |
| 622 | F | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -47.4 | 171.3 | 162.5 | -108.9 | 0 | 0 | 0 | 112.2 | I512 I515 F526 L565 Y618 L619 N624 H625 L626 Y690 | I512-F622 HydrophobicContact CB-CG 4.45Å; I512-F622 HydrophobicContact CD1-CB 4.33Å; I512-F622 HydrophobicContact CD1-CD1 3.99Å; I512-F622 HydrophobicContact CD1-CG 4.28Å; I512-F622 HydrophobicContact CG1-CD1 3.83Å; I512-F622 HydrophobicContact CG1-CE1 4.12Å; I512-F622 HydrophobicContact CG1-CG 4.16Å; I512-F622 HydrophobicContact CG2-CB 3.87Å; I512-F622 HydrophobicContact CG2-CD1 4.16Å; I512-F622 HydrophobicContact CG2-CD2 3.67Å; I512-F622 HydrophobicContact CG2-CE2 4.26Å; I512-F622 HydrophobicContact CG2-CG 3.6Å; I515-F622 HydrophobicContact CB-CZ 4.09Å; I515-F622 HydrophobicContact CG2-CE2 4.32Å; I515-F622 HydrophobicContact CG2-CZ 3.79Å; F526-F622 HydrophobicContact CE2-CE1 4.09Å; F526-F622 HydrophobicContact CE2-CZ 4.21Å; F526-F622 AromaticContact CZ-CE1 3.99Å; F526-F622 HydrophobicContact CZ-CE1 3.99Å; F526-F622 HydrophobicContact CZ-CZ 4.28Å; L565-F622 HydrophobicContact CD2-CE1 4.46Å; Y618-F622 PolarHBondContact O-N 3.04Å; Y618-F622 VanDerWaalsContact O-N 3.09Å; L619-F622 WeakPolarHBondContact O-CB 3.41Å; L619-F622 PolarHBondContact O-N 3.08Å; F622-N624 VanDerWaalsContact C-N 3.3Å; F622-N624 PolarHBondContact O-N 3.18Å; F622-H625 WeakPolarHBondContact O-CB 3.26Å; F622-H625 PolarHBondContact O-N 2.72Å; F622-H625 VanDerWaalsContact O-N 3.11Å; F622-L626 HydrophobicContact CE1-CD2 4.48Å; F622-L626 HydrophobicContact CZ-CD2 4.16Å; F622-L626 WeakPolarHBondContact O-CB 3.42Å; F622-L626 PolarHBondContact O-N 2.92Å; F622-Y690 HydrophobicContact CB-CD1 4.28Å; F622-Y690 HydrophobicContact CB-CD2 4.01Å; F622-Y690 HydrophobicContact CB-CE1 4.29Å; F622-Y690 HydrophobicContact CB-CE2 4.03Å; F622-Y690 HydrophobicContact CB-CG 4.14Å; F622-Y690 AromaticContact CD2-CE2 3.98Å; F622-Y690 HydrophobicContact CD2-CE2 3.98Å; F622-Y690 AromaticContact CD2-CZ 3.93Å; F622-Y690 HydrophobicContact CG-CE2 4.44Å |
| 623 | L | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.2 | -36.7 | 178.3 | -66.8 | 177.1 | 0 | 0 | 0 | 112.1 | L619 F620 L626 S627 L640 F644 I672 | L619-L623 HydrophobicContact CD1-CD1 4.2Å; L619-L623 HydrophobicContact CD1-CG 4.24Å; L619-L623 HydrophobicContact CG-CD1 4.08Å; L619-L623 HydrophobicContact CG-CG 4.46Å; L619-L623 WeakPolarHBondContact O-CG 3.43Å; L619-L623 PolarHBondContact O-N 3.49Å; F620-L623 HydrophobicContact CD1-CD1 4.33Å; F620-L623 HydrophobicContact CE1-CD1 4.44Å; L623-L626 PolarHBondContact O-N 3.26Å; L623-S627 WeakPolarHBondContact O-CB 3.42Å; L623-S627 PolarHBondContact O-N 3.1Å; L623-S627 PolarHBondContact O-OG 3.36Å; L623-L640 HydrophobicContact CD2-CD2 4.45Å; L623-F644 HydrophobicContact CD1-CD1 4.42Å; L623-F644 HydrophobicContact CD1-CD2 4.1Å; L623-F644 HydrophobicContact CD1-CE2 4.34Å; L623-F644 HydrophobicContact CD1-CG 4.13Å; L623-F644 HydrophobicContact CD2-CD2 3.95Å; L623-F644 HydrophobicContact CD2-CE2 3.51Å; L623-F644 HydrophobicContact CD2-CZ 3.93Å; L623-I672 HydrophobicContact CB-CD1 4.47Å; L623-I672 HydrophobicContact CB-CG1 4.17Å; L623-I672 HydrophobicContact CB-CG2 4.46Å; L623-I672 HydrophobicContact CD1-CD1 4.41Å; L623-I672 HydrophobicContact CD1-CG1 4.39Å |
| 624 | N | 95.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 33.5 Ų | 33.5 | 13% | 0.134 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 171.8 | -178 | -84.8 | 0 | 0 | 0 | 111.8 | F620 F622 S627 Q628 I672 H675 | F620-N624 VanDerWaalsContact O-CB 3.25Å; F620-N624 WeakPolarHBondContact O-CB 3.38Å; F620-N624 PolarHBondContact O-N 3.24Å; F622-N624 VanDerWaalsContact C-N 3.3Å; F622-N624 PolarHBondContact O-N 3.18Å; N624-S627 PolarHBondContact O-N 2.91Å; N624-S627 PolarHBondContact O-OG 3.26Å; N624-Q628 PolarHBondContact O-N 3.09Å; N624-Q628 PolarHBondContact O-NE2 3.28Å; N624-Q628 PolarHBondContact OD1-NE2 3.36Å; N624-I672 HydrophobicContact CB-CG2 4.46Å; N624-I672 PolarHBondContact ND2-O 3.2Å; N624-H675 VanDerWaalsContact CB-CD2 3.44Å; N624-H675 WeakPolarHBondContact CB-CD2 3.47Å; N624-H675 PolarHBondContact ND2-CD2 3.04Å |
| 625 | H | 94.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 32.9 Ų | 32.9 | 8% | 0.083 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 176.2 | -174.6 | -136.7 | 0 | 0 | 0 | 112.5 | A621 F622 S627 Q628 F629 Y690 | A621-H625 WeakPolarHBondContact O-CB 3.31Å; A621-H625 PolarHBondContact O-N 2.9Å; F622-H625 WeakPolarHBondContact O-CB 3.26Å; F622-H625 PolarHBondContact O-N 2.72Å; F622-H625 VanDerWaalsContact O-N 3.11Å; H625-S627 VanDerWaalsContact C-N 3.29Å; H625-S627 PolarHBondContact O-N 3.49Å; H625-Q628 WeakPolarHBondContact O-CB 3.46Å; H625-Q628 PolarHBondContact O-N 3.07Å; H625-Q628 VanDerWaalsContact O-N 3.11Å; H625-F629 AromaticContact NE2-CE2 3.79Å; H625-F629 WeakPolarHBondContact O-CD2 3.44Å; H625-Y690 HydrophobicContact CB-CE1 3.73Å; H625-Y690 AromaticContact CG-CE1 4Å; H625-Y690 AromaticContact ND1-CE1 3.74Å; H625-Y690 AromaticContact ND1-CZ 3.75Å; H625-Y690 PolarHBondContact ND1-OH 3.38Å |
| 626 | L | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 175.7 | -177.1 | 66.3 | 0 | 0 | 0 | 112.2 | L520 I525 F526 F622 L623 Q628 F629 N633 L640 | L520-L626 HydrophobicContact CD2-CD1 3.86Å; I525-L626 HydrophobicContact CG2-CD1 4.15Å; I525-L626 HydrophobicContact CG2-CD2 4.22Å; F526-L626 HydrophobicContact CD2-CD2 3.85Å; F526-L626 HydrophobicContact CE2-CD2 3.57Å; F622-L626 HydrophobicContact CE1-CD2 4.48Å; F622-L626 HydrophobicContact CZ-CD2 4.16Å; F622-L626 WeakPolarHBondContact O-CB 3.42Å; F622-L626 PolarHBondContact O-N 2.92Å; L623-L626 PolarHBondContact O-N 3.26Å; L626-Q628 PolarHBondContact O-N 3.44Å; L626-F629 PolarHBondContact O-N 3.38Å; L626-F629 VanDerWaalsContact O-N 3.12Å; L626-N633 PolarHBondContact O-ND2 3.44Å; L626-L640 HydrophobicContact CD2-CD1 4.32Å; L626-L640 HydrophobicContact CD2-CD2 3.83Å; L626-L640 HydrophobicContact CG-CD1 4.49Å |
| 627 | S | 95.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -68.1 | -11.1 | 178.1 | 73.9 | 0 | 0 | 0 | 0 | 114.7 | L623 N624 H625 F629 S630 | L623-S627 WeakPolarHBondContact O-CB 3.42Å; L623-S627 PolarHBondContact O-N 3.1Å; L623-S627 PolarHBondContact O-OG 3.36Å; N624-S627 PolarHBondContact O-N 2.91Å; N624-S627 PolarHBondContact O-OG 3.26Å; H625-S627 VanDerWaalsContact C-N 3.29Å; H625-S627 PolarHBondContact O-N 3.49Å; S627-F629 VanDerWaalsContact C-N 3.29Å; S627-S630 WeakPolarHBondContact O-CB 3.47Å; S627-S630 PolarHBondContact O-OG 2.92Å |
| 628 | Q | 93.5 | Very high | 94 | Very high | 93 Ų | 93 | 40.5 Ų | 40.5 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -79.7 | -13.3 | 173.3 | -69.1 | 158.2 | 55.6 | 0 | 0 | 112.5 | N624 H625 L626 R692 | N624-Q628 PolarHBondContact O-N 3.09Å; N624-Q628 PolarHBondContact O-NE2 3.28Å; N624-Q628 PolarHBondContact OD1-NE2 3.36Å; H625-Q628 WeakPolarHBondContact O-CB 3.46Å; H625-Q628 PolarHBondContact O-N 3.07Å; H625-Q628 VanDerWaalsContact O-N 3.11Å; L626-Q628 PolarHBondContact O-N 3.44Å; Q628-R692 VanDerWaalsContact NE2-NH2 3.17Å; Q628-R692 VanDerWaalsContact OE1-CZ 3.29Å |
| 629 | F | 94.2 | Very high | 94.1 | Very high | 60 Ų | 60 | 42 Ų | 42 | 26% | 0.263 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -100 | 20.3 | 173.2 | -62.6 | -94.5 | 0 | 0 | 0 | 111.9 | L520 Q521 H625 L626 S627 E631 E632 N633 | L520-F629 HydrophobicContact CB-CD1 4.42Å; L520-F629 HydrophobicContact CB-CD2 4.12Å; L520-F629 HydrophobicContact CB-CE2 4.32Å; L520-F629 HydrophobicContact CB-CG 4.18Å; L520-F629 HydrophobicContact CD1-CD2 4.4Å; L520-F629 HydrophobicContact CD1-CE2 3.83Å; L520-F629 HydrophobicContact CD1-CZ 3.97Å; L520-F629 HydrophobicContact CD2-CD2 4.37Å; L520-F629 HydrophobicContact CD2-CE2 4.44Å; L520-F629 HydrophobicContact CG-CE2 4.43Å; L520-F629 VanDerWaalsContact O-CB 3.28Å; L520-F629 WeakPolarHBondContact O-CB 3.47Å; Q521-F629 HydrophobicContact CG-CD1 4.42Å; H625-F629 AromaticContact NE2-CE2 3.79Å; H625-F629 WeakPolarHBondContact O-CD2 3.44Å; L626-F629 PolarHBondContact O-N 3.38Å; L626-F629 VanDerWaalsContact O-N 3.12Å; S627-F629 VanDerWaalsContact C-N 3.29Å; F629-E631 PolarHBondContact O-N 2.9Å; F629-E631 VanDerWaalsContact O-N 3.11Å; F629-E632 PolarHBondContact O-N 3.45Å; F629-N633 WeakPolarHBondContact CB-ND2 3.32Å; F629-N633 PolarHBondContact O-N 2.94Å; F629-N633 PolarHBondContact O-ND2 2.94Å; F629-N633 PolarHBondContact O-OD1 2.98Å |
| 630 | S | 92.9 | Very high | 94.1 | Very high | 40 Ų | 40 | 42 Ų | 42 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.2 | -20.4 | -174 | 60.4 | 0 | 0 | 0 | 0 | 114.8 | S627 E632 N633 M634 | S627-S630 WeakPolarHBondContact O-CB 3.47Å; S627-S630 PolarHBondContact O-OG 2.92Å; S630-E632 VanDerWaalsContact C-N 3.33Å; S630-N633 WeakPolarHBondContact CA-OD1 3.37Å; S630-M634 VanDerWaalsContact O-CA 3.31Å; S630-M634 WeakPolarHBondContact O-CA 3.32Å; S630-M634 PolarHBondContact O-N 3Å; S630-M634 VanDerWaalsContact O-N 3.12Å |
| 631 | E | 90.6 | Very high | 94.1 | Very high | 184 Ų | 184 | 42 Ų | 42 | 86% | 0.86 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -71.3 | -28.4 | 174.4 | -60.9 | -176.3 | 173.6 | 0 | 0 | 112.3 | F629 | F629-E631 PolarHBondContact O-N 2.9Å; F629-E631 VanDerWaalsContact O-N 3.11Å |
| 632 | E | 90.8 | Very high | 94 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -97.7 | -48.5 | 177.2 | -59 | -170.1 | -103 | 0 | 0 | 111.6 | Q521 F629 S630 | Q521-E632 HydrophobicContact CB-CB 4.36Å; Q521-E632 HydrophobicContact CG-CB 4.49Å; Q521-E632 WeakPolarHBondContact CG-OE1 3.46Å; Q521-E632 WeakPolarHBondContact CG-OE2 3.44Å; Q521-E632 PolarHBondContact NE2-OE1 3.34Å; Q521-E632 PolarHBondContact NE2-OE2 3.32Å; F629-E632 PolarHBondContact O-N 3.45Å; S630-E632 VanDerWaalsContact C-N 3.33Å |
| 633 | N | 92.9 | Very high | 94 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -86.8 | -5.7 | -173.5 | 71.1 | 32.3 | 0 | 0 | 0 | 114.3 | L520 H522 G524 I525 L626 F629 S630 M635 | L520-N633 WeakPolarHBondContact O-CB 3.33Å; L520-N633 PolarHBondContact O-ND2 3.14Å; H522-N633 WeakPolarHBondContact O-CB 3.35Å; G524-N633 PolarHBondContact N-O 3.1Å; I525-N633 HydrophobicContact CG2-CB 4.39Å; L626-N633 PolarHBondContact O-ND2 3.44Å; F629-N633 WeakPolarHBondContact CB-ND2 3.32Å; F629-N633 PolarHBondContact O-N 2.94Å; F629-N633 PolarHBondContact O-ND2 2.94Å; F629-N633 PolarHBondContact O-OD1 2.98Å; S630-N633 WeakPolarHBondContact CA-OD1 3.37Å; N633-M635 WeakPolarHBondContact O-CG 3.4Å; N633-M635 PolarHBondContact O-N 3.3Å; N633-M635 WeakPolarHBondContact OD1-CA 3.49Å; N633-M635 VanDerWaalsContact OD1-CB 3.32Å; N633-M635 WeakPolarHBondContact OD1-CB 3.42Å; N633-M635 PolarHBondContact OD1-N 2.68Å |
| 634 | M | 93.1 | Very high | 93.9 | Very high | 97 Ų | 97 | 46 Ų | 46 | 48% | 0.478 | 23% | 0.228 | S | C | . | . | trans | 61 | 15.6 | -178.1 | -58.1 | -71.5 | 174.9 | 0 | 0 | 115.3 | E523 S630 N639 | E523-M634 HydrophobicContact CG-CB 4.15Å; E523-M634 HydrophobicContact CG-CG 3.63Å; S630-M634 VanDerWaalsContact O-CA 3.31Å; S630-M634 WeakPolarHBondContact O-CA 3.32Å; S630-M634 PolarHBondContact O-N 3Å; S630-M634 VanDerWaalsContact O-N 3.12Å; M634-N639 PolarHBondContact O-ND2 3.03Å | ||
| 635 | M | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -116.1 | 78.3 | -174.3 | -63.9 | -58.7 | -66.2 | 0 | 0 | 112.3 | I525 R527 N633 N639 L640 | I525-M635 HydrophobicContact CG2-CG 4.2Å; I525-M635 WeakPolarHBondContact O-CG 3.24Å; R527-M635 HydrophobicContact CB-CE 3.87Å; R527-M635 HydrophobicContact CB-SD 3.62Å; R527-M635 HydrophobicContact CG-SD 4.46Å; N633-M635 WeakPolarHBondContact O-CG 3.4Å; N633-M635 PolarHBondContact O-N 3.3Å; N633-M635 WeakPolarHBondContact OD1-CA 3.49Å; N633-M635 VanDerWaalsContact OD1-CB 3.32Å; N633-M635 WeakPolarHBondContact OD1-CB 3.42Å; N633-M635 PolarHBondContact OD1-N 2.68Å; M635-N639 HydrophobicContact CE-CB 3.79Å; M635-N639 HydrophobicContact SD-CB 3.94Å; M635-L640 HydrophobicContact CB-CD2 3.95Å; M635-L640 HydrophobicContact CB-CG 4.08Å; M635-L640 HydrophobicContact CE-CD2 3.92Å; M635-L640 HydrophobicContact CE-CG 4.37Å | ||
| 636 | D | 94.3 | Very high | 93.4 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | trans | -66.2 | 171.9 | 171.6 | 91 | -16.6 | 0 | 0 | 0 | 112.6 | Y638 N639 L640 | D636-Y638 PolarHBondContact O-N 3.27Å; D636-Y638 VanDerWaalsContact O-N 3.08Å; D636-Y638 WeakPolarHBondContact OD1-CA 3.27Å; D636-Y638 WeakPolarHBondContact OD1-CB 3.35Å; D636-Y638 PolarHBondContact OD1-N 3.31Å; D636-N639 PolarHBondContact O-N 3Å; D636-N639 PolarHBondContact OD1-N 3.44Å; D636-L640 WeakPolarHBondContact O-CG 3.44Å; D636-L640 PolarHBondContact O-N 3.38Å | ||
| 637 | P | 95 | Very high | 93.1 | Very high | 30 Ų | 30 | 47.8 Ų | 47.8 | 20% | 0.195 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -18.7 | 179.2 | -25.1 | 34.7 | 0 | 0 | 0 | 115.4 | A641 K669 I672 I673 | P637-A641 VanDerWaalsContact O-CB 3.28Å; P637-A641 WeakPolarHBondContact O-CB 3.42Å; P637-A641 PolarHBondContact O-N 2.68Å; P637-K669 HydrophobicContact CB-CG 4.47Å; P637-I672 HydrophobicContact CB-CG2 4.02Å; P637-I673 HydrophobicContact CB-CD1 4.19Å; P637-I673 HydrophobicContact CB-CG1 3.91Å; P637-I673 HydrophobicContact CG-CG1 4.18Å |
| 638 | Y | 93.8 | Very high | 92.8 | Very high | 102 Ų | 102 | 47.3 Ų | 47.3 | 40% | 0.4 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -87.1 | -43.7 | 177.3 | -177.7 | -116 | 0 | 0 | 0 | 111.5 | D636 L640 A641 I642 N665 K669 | D636-Y638 PolarHBondContact O-N 3.27Å; D636-Y638 VanDerWaalsContact O-N 3.08Å; D636-Y638 WeakPolarHBondContact OD1-CA 3.27Å; D636-Y638 WeakPolarHBondContact OD1-CB 3.35Å; D636-Y638 PolarHBondContact OD1-N 3.31Å; Y638-L640 VanDerWaalsContact C-N 3.33Å; Y638-L640 PolarHBondContact O-N 3.36Å; Y638-A641 CarbonylContact O-C 3.55Å; Y638-A641 WeakPolarHBondContact O-CA 3.48Å; Y638-A641 WeakPolarHBondContact O-CB 3.36Å; Y638-A641 PolarHBondContact O-N 3.32Å; Y638-A641 VanDerWaalsContact O-N 3.09Å; Y638-I642 HydrophobicContact CD1-CD1 3.94Å; Y638-I642 HydrophobicContact CE1-CD1 3.62Å; Y638-I642 HydrophobicContact CE1-CG1 4.49Å; Y638-I642 WeakPolarHBondContact O-CG1 3.26Å; Y638-I642 PolarHBondContact O-N 2.88Å; Y638-N665 HydrophobicContact CE2-CB 4.2Å; Y638-K669 HydrophobicContact CD2-CD 3.89Å; Y638-K669 HydrophobicContact CG-CD 4.43Å |
| 639 | N | 95 | Very high | 92.5 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 173.3 | -71.1 | -11.7 | 0 | 0 | 0 | 111 | M634 M635 D636 A641 I642 C643 | M634-N639 PolarHBondContact O-ND2 3.03Å; M635-N639 HydrophobicContact CE-CB 3.79Å; M635-N639 HydrophobicContact SD-CB 3.94Å; D636-N639 PolarHBondContact O-N 3Å; D636-N639 PolarHBondContact OD1-N 3.44Å; N639-A641 VanDerWaalsContact C-N 3.34Å; N639-I642 PolarHBondContact O-N 3.46Å; N639-C643 PolarHBondContact O-N 3.23Å; N639-C643 VanDerWaalsContact O-N 3.14Å; N639-C643 PolarHBondContact O-SG 3.26Å |
| 640 | L | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 172.2 | -69.3 | 173.4 | 0 | 0 | 0 | 111.9 | F526 L623 L626 M635 D636 Y638 C643 F644 I672 | F526-L640 HydrophobicContact CD2-CD2 4.21Å; L623-L640 HydrophobicContact CD2-CD2 4.45Å; L626-L640 HydrophobicContact CD2-CD1 4.32Å; L626-L640 HydrophobicContact CD2-CD2 3.83Å; L626-L640 HydrophobicContact CG-CD1 4.49Å; M635-L640 HydrophobicContact CB-CD2 3.95Å; M635-L640 HydrophobicContact CB-CG 4.08Å; M635-L640 HydrophobicContact CE-CD2 3.92Å; M635-L640 HydrophobicContact CE-CG 4.37Å; D636-L640 WeakPolarHBondContact O-CG 3.44Å; D636-L640 PolarHBondContact O-N 3.38Å; Y638-L640 VanDerWaalsContact C-N 3.33Å; Y638-L640 PolarHBondContact O-N 3.36Å; L640-C643 PolarHBondContact O-N 2.91Å; L640-F644 WeakPolarHBondContact O-CB 3.42Å; L640-F644 PolarHBondContact O-N 2.86Å; L640-I672 HydrophobicContact CB-CD1 4.02Å |
| 641 | A | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67 | -35.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P637 Y638 N639 G645 N665 I668 K669 I672 | P637-A641 VanDerWaalsContact O-CB 3.28Å; P637-A641 WeakPolarHBondContact O-CB 3.42Å; P637-A641 PolarHBondContact O-N 2.68Å; Y638-A641 CarbonylContact O-C 3.55Å; Y638-A641 WeakPolarHBondContact O-CA 3.48Å; Y638-A641 WeakPolarHBondContact O-CB 3.36Å; Y638-A641 PolarHBondContact O-N 3.32Å; Y638-A641 VanDerWaalsContact O-N 3.09Å; N639-A641 VanDerWaalsContact C-N 3.34Å; A641-G645 WeakPolarHBondContact O-CA 3.41Å; A641-G645 PolarHBondContact O-N 3.47Å; A641-N665 VanDerWaalsContact CB-O 3.32Å; A641-N665 WeakPolarHBondContact CB-O 3.37Å; A641-I668 HydrophobicContact CB-CB 4Å; A641-I668 HydrophobicContact CB-CG2 3.83Å; A641-K669 HydrophobicContact CB-CB 3.86Å; A641-I672 HydrophobicContact CB-CD1 4.35Å |
| 642 | I | 93.1 | Very high | 90.7 | Very high | 70 Ų | 70 | 34.5 Ų | 34.5 | 36% | 0.359 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 170.8 | -69 | 162.4 | 0 | 0 | 0 | 110.5 | Y638 N639 P646 | Y638-I642 HydrophobicContact CD1-CD1 3.94Å; Y638-I642 HydrophobicContact CE1-CD1 3.62Å; Y638-I642 HydrophobicContact CE1-CG1 4.49Å; Y638-I642 WeakPolarHBondContact O-CG1 3.26Å; Y638-I642 PolarHBondContact O-N 2.88Å; N639-I642 PolarHBondContact O-N 3.46Å; I642-P646 WeakPolarHBondContact O-CD 3.37Å |
| 643 | C | 94.3 | Very high | 89.6 | Confident | 24 Ų | 24 | 35.2 Ų | 35.2 | 16% | 0.162 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.3 | -36.6 | -177 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | F526 N639 L640 S647 | F526-C643 HydrophobicContact CB-CB 4.24Å; N639-C643 PolarHBondContact O-N 3.23Å; N639-C643 VanDerWaalsContact O-N 3.14Å; N639-C643 PolarHBondContact O-SG 3.26Å; L640-C643 PolarHBondContact O-N 2.91Å; C643-S647 PolarHBondContact O-OG 3.09Å |
| 644 | F | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -92.6 | -26.5 | -178.6 | -85.3 | -87.4 | 0 | 0 | 0 | 114.3 | F526 K566 L619 L623 L640 S647 L648 | F526-F644 HydrophobicContact CB-CE2 4.2Å; F526-F644 AromaticContact CD1-CE2 3.68Å; F526-F644 HydrophobicContact CD1-CE2 3.68Å; F526-F644 AromaticContact CD1-CZ 3.68Å; F526-F644 HydrophobicContact CD1-CZ 3.68Å; F526-F644 AromaticContact CD2-CE2 3.96Å; F526-F644 HydrophobicContact CD2-CE2 3.96Å; F526-F644 AromaticContact CE1-CE2 3.97Å; F526-F644 HydrophobicContact CE1-CE2 3.97Å; F526-F644 AromaticContact CE1-CZ 3.58Å; F526-F644 HydrophobicContact CE1-CZ 3.58Å; F526-F644 HydrophobicContact CE2-CE2 4.23Å; F526-F644 HydrophobicContact CE2-CZ 4.42Å; F526-F644 AromaticContact CG-CE2 3.68Å; F526-F644 HydrophobicContact CG-CE2 3.68Å; F526-F644 HydrophobicContact CG-CZ 4.16Å; F526-F644 HydrophobicContact CZ-CE2 4.23Å; F526-F644 AromaticContact CZ-CZ 3.97Å; F526-F644 HydrophobicContact CZ-CZ 3.97Å; K566-F644 HydrophobicContact CG-CE1 4.38Å; K566-F644 HydrophobicContact CG-CZ 4.3Å; L619-F644 HydrophobicContact CD1-CE1 4.3Å; L623-F644 HydrophobicContact CD1-CD1 4.42Å; L623-F644 HydrophobicContact CD1-CD2 4.1Å; L623-F644 HydrophobicContact CD1-CE2 4.34Å; L623-F644 HydrophobicContact CD1-CG 4.13Å; L623-F644 HydrophobicContact CD2-CD2 3.95Å; L623-F644 HydrophobicContact CD2-CE2 3.51Å; L623-F644 HydrophobicContact CD2-CZ 3.93Å; L640-F644 WeakPolarHBondContact O-CB 3.42Å; L640-F644 PolarHBondContact O-N 2.86Å; F644-S647 CarbonylContact O-C 3.59Å; F644-S647 WeakPolarHBondContact O-CA 3.31Å; F644-S647 WeakPolarHBondContact O-CB 3.33Å; F644-S647 PolarHBondContact O-N 3.35Å; F644-L648 HydrophobicContact CB-CD1 3.91Å; F644-L648 HydrophobicContact CB-CG 4.18Å; F644-L648 HydrophobicContact CD1-CD1 4.05Å; F644-L648 HydrophobicContact CD1-CD2 4.24Å; F644-L648 HydrophobicContact CD1-CG 4.06Å; F644-L648 HydrophobicContact CG-CD1 4.4Å; F644-L648 WeakPolarHBondContact O-CG 3.44Å; F644-L648 PolarHBondContact O-N 3.34Å |
| 645 | G | 90.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -49.6 | -60.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A641 S647 L648 M649 | A641-G645 WeakPolarHBondContact O-CA 3.41Å; A641-G645 PolarHBondContact O-N 3.47Å; G645-S647 PolarHBondContact O-N 3.27Å; G645-S647 VanDerWaalsContact O-N 3.13Å; G645-L648 PolarHBondContact O-N 3.45Å; G645-M649 PolarHBondContact O-N 3.34Å |
| 646 | P | 87.9 | Confident | 86.7 | Confident | 62 Ų | 62 | 42.9 Ų | 42.9 | 40% | 0.403 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.1 | -18.9 | 176.6 | -21.3 | 32.7 | 0 | 0 | 0 | 114.7 | I642 | I642-P646 WeakPolarHBondContact O-CD 3.37Å |
| 647 | S | 87.9 | Confident | 85.9 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -93.8 | -19.8 | -177.7 | -55.2 | 0 | 0 | 0 | 0 | 113.4 | F569 R570 C643 F644 G645 | F569-S647 CarbonylContact C-O 3.58Å; R570-S647 PolarHBondContact N-O 3.48Å; C643-S647 PolarHBondContact O-OG 3.09Å; F644-S647 CarbonylContact O-C 3.59Å; F644-S647 WeakPolarHBondContact O-CA 3.31Å; F644-S647 WeakPolarHBondContact O-CB 3.33Å; F644-S647 PolarHBondContact O-N 3.35Å; G645-S647 PolarHBondContact O-N 3.27Å; G645-S647 VanDerWaalsContact O-N 3.13Å |
| 648 | L | 90.1 | Very high | 85.1 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -106.7 | -31.2 | -179.3 | -62.4 | -177.5 | 0 | 0 | 0 | 113 | F569 L576 F577 L619 F620 F644 G645 I668 | F569-L648 HydrophobicContact CB-CD2 3.76Å; F569-L648 HydrophobicContact CD1-CD2 4.11Å; F569-L648 HydrophobicContact CD2-CD2 4.21Å; F569-L648 HydrophobicContact CG-CD2 3.77Å; L576-L648 HydrophobicContact CB-CD2 4.47Å; L576-L648 HydrophobicContact CD2-CD2 3.93Å; F577-L648 HydrophobicContact CD2-CB 3.96Å; F577-L648 WeakPolarHBondContact CD2-O 3.47Å; F577-L648 HydrophobicContact CE2-CB 4.03Å; F577-L648 HydrophobicContact CE2-CD1 4.33Å; F577-L648 PolarHBondContact N-O 3.45Å; L619-L648 HydrophobicContact CD2-CD1 3.99Å; L619-L648 HydrophobicContact CD2-CD2 3.83Å; F620-L648 HydrophobicContact CE1-CD1 4.44Å; F620-L648 HydrophobicContact CE2-CD1 4.48Å; F620-L648 HydrophobicContact CZ-CD1 3.81Å; F644-L648 HydrophobicContact CB-CD1 3.91Å; F644-L648 HydrophobicContact CB-CG 4.18Å; F644-L648 HydrophobicContact CD1-CD1 4.05Å; F644-L648 HydrophobicContact CD1-CD2 4.24Å; F644-L648 HydrophobicContact CD1-CG 4.06Å; F644-L648 HydrophobicContact CG-CD1 4.4Å; F644-L648 WeakPolarHBondContact O-CG 3.44Å; F644-L648 PolarHBondContact O-N 3.34Å; G645-L648 PolarHBondContact O-N 3.45Å; L648-I668 HydrophobicContact CD1-CD1 4.42Å |
| 649 | M | 86.1 | Confident | 84.4 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | trans | -137.8 | 105.4 | -175.7 | 178.9 | 177.4 | -75.2 | 0 | 0 | 110.2 | F577 F582 L585 M586 G645 V664 L667 | F577-M649 HydrophobicContact CB-CB 4.21Å; F577-M649 HydrophobicContact CB-CE 3.61Å; F577-M649 HydrophobicContact CB-CG 4.43Å; F577-M649 HydrophobicContact CD1-CE 3.73Å; F577-M649 HydrophobicContact CG-CE 3.72Å; F582-M649 HydrophobicContact CD2-CG 3.86Å; F582-M649 HydrophobicContact CD2-SD 3.61Å; F582-M649 HydrophobicContact CE2-CG 4.02Å; F582-M649 HydrophobicContact CE2-SD 3.73Å; L585-M649 HydrophobicContact CD1-CE 3.56Å; M586-M649 HydrophobicContact CE-SD 3.99Å; G645-M649 PolarHBondContact O-N 3.34Å; M649-V664 HydrophobicContact CB-CG1 4.28Å; M649-V664 HydrophobicContact CG-CG1 4.48Å; M649-V664 HydrophobicContact SD-CG1 4.21Å; M649-V664 HydrophobicContact SD-CG2 3.98Å; M649-L667 HydrophobicContact CE-CD2 3.61Å; M649-L667 HydrophobicContact SD-CD2 3.98Å | ||
| 650 | S | 81.3 | Confident | 84 | Confident | 64 Ų | 64 | 46.8 Ų | 46.8 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 132 | 169.2 | -48.7 | 0 | 0 | 0 | 0 | 110 | ||
| 651 | V | 80.3 | Confident | 83.6 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 131.3 | 168.4 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | F582 H655 Q657 C660 | F582-V651 HydrophobicContact CE2-CG2 4.46Å; F582-V651 HydrophobicContact CZ-CB 4.45Å; F582-V651 HydrophobicContact CZ-CG1 4.11Å; F582-V651 HydrophobicContact CZ-CG2 4.32Å; V651-H655 HydrophobicContact CG1-CB 3.77Å; V651-Q657 HydrophobicContact CG2-CG 4.37Å; V651-C660 HydrophobicContact CG1-CB 3.93Å; V651-C660 HydrophobicContact CG2-CB 3.9Å |
| 652 | P | 78.7 | Confident | 83.2 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 149.4 | 175 | -21.3 | 33.5 | 0 | 0 | 0 | 112.6 | K579 F582 H655 | K579-P652 HydrophobicContact CB-CG 4.37Å; K579-P652 HydrophobicContact CD-CB 4.46Å; K579-P652 HydrophobicContact CG-CG 4.4Å; F582-P652 HydrophobicContact CB-CG 3.95Å; F582-P652 VanDerWaalsContact CD1-CD 3.45Å; F582-P652 HydrophobicContact CD1-CG 3.72Å; F582-P652 HydrophobicContact CD2-CG 4.37Å; F582-P652 HydrophobicContact CE1-CG 4.29Å; F582-P652 HydrophobicContact CG-CG 3.76Å; P652-H655 PolarHBondContact O-N 2.98Å |
| 653 | E | 68.3 | Low | 83.1 | Confident | 110 Ų | 110 | 52.1 Ų | 52.1 | 51% | 0.514 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 144.2 | 167.9 | -60.3 | 92.2 | -85 | 0 | 0 | 111.6 | K579 | K579-E653 IonicContact NZ-OE1 2.72Å; K579-E653 PolarHBondContact NZ-OE1 2.75Å; K579-E653 IonicContact NZ-OE2 3.95Å |
| 654 | G | 65.1 | Low | 82.9 | Confident | 62 Ų | 62 | 51 Ų | 51 | 64% | 0.639 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 4.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 655 | H | 74.3 | Confident | 82.9 | Confident | 110 Ų | 110 | 51.6 Ų | 51.6 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -121.8 | 137 | 171.2 | -79.3 | -87.5 | 0 | 0 | 0 | 111.9 | H583 V651 P652 Q657 | H583-H655 AromaticContact CE1-CD2 3.9Å; V651-H655 HydrophobicContact CG1-CB 3.77Å; P652-H655 PolarHBondContact O-N 2.98Å; H655-Q657 PolarHBondContact O-N 3.37Å; H655-Q657 VanDerWaalsContact O-N 3.09Å |
| 656 | D | 79.3 | Confident | 82.9 | Confident | 86 Ų | 86 | 54 Ų | 54 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | trans | -60.8 | 113.8 | 174.6 | 162.9 | 40.4 | 0 | 0 | 0 | 110.7 | V658 S659 C660 | D656-V658 PolarHBondContact O-N 3.49Å; D656-V658 WeakPolarHBondContact OD1-CB 3.21Å; D656-V658 PolarHBondContact OD1-N 2.88Å; D656-S659 WeakPolarHBondContact OD2-CB 3.46Å; D656-S659 PolarHBondContact OD2-N 3.5Å; D656-S659 PolarHBondContact OD2-OG 3.02Å; D656-C660 VanDerWaalsContact O-CB 3.31Å; D656-C660 WeakPolarHBondContact O-CB 3.19Å; D656-C660 PolarHBondContact O-N 3.03Å | ||
| 657 | Q | 77.8 | Confident | 83.2 | Confident | 135 Ų | 135 | 51 Ų | 51 | 63% | 0.631 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.8 | -32.7 | -179.1 | -165.9 | 174.1 | 33.6 | 0 | 0 | 112.1 | V651 H655 Q661 | V651-Q657 HydrophobicContact CG2-CG 4.37Å; H655-Q657 PolarHBondContact O-N 3.37Å; H655-Q657 VanDerWaalsContact O-N 3.09Å; Q657-Q661 VanDerWaalsContact O-CB 3.32Å; Q657-Q661 WeakPolarHBondContact O-CB 3.45Å; Q657-Q661 PolarHBondContact O-N 3.38Å |
| 658 | V | 79.1 | Confident | 83.6 | Confident | 120 Ų | 120 | 50.2 Ų | 50.2 | 73% | 0.727 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -73.6 | -51.1 | -174.5 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | D656 Q661 | D656-V658 PolarHBondContact O-N 3.49Å; D656-V658 WeakPolarHBondContact OD1-CB 3.21Å; D656-V658 PolarHBondContact OD1-N 2.88Å; V658-Q661 PolarHBondContact O-N 3.06Å |
| 659 | S | 79.3 | Confident | 83.8 | Confident | 64 Ų | 64 | 52.8 Ų | 52.8 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.2 | -31.1 | 177.6 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | D656 H663 | D656-S659 WeakPolarHBondContact OD2-CB 3.46Å; D656-S659 PolarHBondContact OD2-N 3.5Å; D656-S659 PolarHBondContact OD2-OG 3.02Å; S659-H663 PolarHBondContact O-ND1 3.11Å |
| 660 | C | 84.9 | Confident | 84.1 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.2 | -33.6 | 171.6 | -79.7 | 0 | 0 | 0 | 0 | 112.6 | F582 V651 D656 A662 H663 V664 | F582-C660 HydrophobicContact CZ-CB 4.33Å; V651-C660 HydrophobicContact CG1-CB 3.93Å; V651-C660 HydrophobicContact CG2-CB 3.9Å; D656-C660 VanDerWaalsContact O-CB 3.31Å; D656-C660 WeakPolarHBondContact O-CB 3.19Å; D656-C660 PolarHBondContact O-N 3.03Å; C660-A662 VanDerWaalsContact C-N 3.29Å; C660-A662 PolarHBondContact O-N 2.62Å; C660-H663 PolarHBondContact O-N 3.35Å; C660-V664 WeakPolarHBondContact O-CG2 3.47Å; C660-V664 PolarHBondContact O-N 2.73Å |
| 661 | Q | 86.8 | Confident | 84.8 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -36.9 | -176.6 | -166.4 | 61.5 | 57 | 0 | 0 | 113.2 | Q657 V658 H663 V664 N665 | Q657-Q661 VanDerWaalsContact O-CB 3.32Å; Q657-Q661 WeakPolarHBondContact O-CB 3.45Å; Q657-Q661 PolarHBondContact O-N 3.38Å; V658-Q661 PolarHBondContact O-N 3.06Å; Q661-H663 VanDerWaalsContact C-N 3.32Å; Q661-H663 PolarHBondContact O-N 3.13Å; Q661-V664 PolarHBondContact O-N 2.79Å; Q661-N665 PolarHBondContact NE2-OD1 3.16Å; Q661-N665 WeakPolarHBondContact O-CB 3.45Å; Q661-N665 PolarHBondContact O-N 3.36Å; Q661-N665 PolarHBondContact O-ND2 3.29Å; Q661-N665 PolarHBondContact O-OD1 3.4Å |
| 662 | A | 87.9 | Confident | 85.5 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 49% | 0.488 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C660 N665 E666 | C660-A662 VanDerWaalsContact C-N 3.29Å; C660-A662 PolarHBondContact O-N 2.62Å; A662-N665 PolarHBondContact O-N 3.18Å; A662-E666 PolarHBondContact O-N 2.9Å |
| 663 | H | 89.9 | Confident | 86.3 | Confident | 85 Ų | 85 | 51 Ų | 51 | 39% | 0.394 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72 | -38.3 | 177.9 | -62.8 | 87.6 | 0 | 0 | 0 | 111.9 | M586 V589 S659 C660 Q661 E666 L667 | M586-H663 HydrophobicContact SD-CB 3.57Å; M586-H663 VanDerWaalsContact SD-CB 3.57Å; V589-H663 HydrophobicContact CG1-CB 4.36Å; S659-H663 PolarHBondContact O-ND1 3.11Å; C660-H663 PolarHBondContact O-N 3.35Å; Q661-H663 VanDerWaalsContact C-N 3.32Å; Q661-H663 PolarHBondContact O-N 3.13Å; H663-E666 PolarHBondContact O-N 3.25Å; H663-L667 VanDerWaalsContact O-CB 3.32Å; H663-L667 WeakPolarHBondContact O-CB 3.45Å; H663-L667 PolarHBondContact O-N 3.04Å |
| 664 | V | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 172.6 | 174.8 | 0 | 0 | 0 | 0 | 111 | F582 M586 M649 C660 Q661 L667 I668 | F582-V664 HydrophobicContact CE2-CG2 3.92Å; F582-V664 HydrophobicContact CZ-CG2 4.35Å; M586-V664 HydrophobicContact CE-CG2 3.91Å; M586-V664 HydrophobicContact SD-CG2 4.22Å; M649-V664 HydrophobicContact CB-CG1 4.28Å; M649-V664 HydrophobicContact CG-CG1 4.48Å; M649-V664 HydrophobicContact SD-CG1 4.21Å; M649-V664 HydrophobicContact SD-CG2 3.98Å; C660-V664 WeakPolarHBondContact O-CG2 3.47Å; C660-V664 PolarHBondContact O-N 2.73Å; Q661-V664 PolarHBondContact O-N 2.79Å; V664-L667 PolarHBondContact O-N 3.14Å; V664-I668 HydrophobicContact CG1-CG1 4.32Å; V664-I668 VanDerWaalsContact O-CG1 3.29Å; V664-I668 WeakPolarHBondContact O-CG1 3.34Å; V664-I668 PolarHBondContact O-N 3.21Å |
| 665 | N | 92.8 | Very high | 88.8 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 177.7 | -65.6 | -8.2 | 0 | 0 | 0 | 111.3 | Y638 A641 Q661 A662 L667 I668 K669 | Y638-N665 HydrophobicContact CE2-CB 4.2Å; A641-N665 VanDerWaalsContact CB-O 3.32Å; A641-N665 WeakPolarHBondContact CB-O 3.37Å; Q661-N665 PolarHBondContact NE2-OD1 3.16Å; Q661-N665 WeakPolarHBondContact O-CB 3.45Å; Q661-N665 PolarHBondContact O-N 3.36Å; Q661-N665 PolarHBondContact O-ND2 3.29Å; Q661-N665 PolarHBondContact O-OD1 3.4Å; A662-N665 PolarHBondContact O-N 3.18Å; N665-L667 VanDerWaalsContact C-N 3.34Å; N665-L667 PolarHBondContact O-N 2.92Å; N665-I668 PolarHBondContact O-N 2.99Å; N665-K669 WeakPolarHBondContact O-CB 3.15Å; N665-K669 PolarHBondContact O-N 2.96Å |
| 666 | E | 91.9 | Very high | 89.5 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.1 | -33.6 | 177.7 | -180 | 61.2 | -166.8 | 0 | 0 | 112.6 | V589 R597 A662 H663 K669 T670 | V589-E666 HydrophobicContact CG1-CB 4.09Å; V589-E666 HydrophobicContact CG1-CG 3.88Å; R597-E666 IonicContact CZ-OE1 3.16Å; R597-E666 IonicContact NH1-OE1 3.82Å; R597-E666 PolarHBondContact NH1-OE1 3.04Å; A662-E666 PolarHBondContact O-N 2.9Å; H663-E666 PolarHBondContact O-N 3.25Å; E666-K669 IonicContact OE1-NZ 3.21Å; E666-K669 WeakPolarHBondContact OE2-CD 3.45Å; E666-K669 WeakPolarHBondContact OE2-CE 3.41Å; E666-K669 IonicContact OE2-NZ 2.68Å; E666-K669 PolarHBondContact OE2-NZ 2.92Å; E666-T670 WeakPolarHBondContact O-CB 3.48Å; E666-T670 PolarHBondContact O-N 3.46Å; E666-T670 PolarHBondContact O-OG1 2.92Å |
| 667 | L | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -53.1 | 171.1 | 177.2 | 69.6 | 0 | 0 | 0 | 111.6 | L585 M586 V589 I601 M649 H663 V664 N665 K669 T670 I671 | L585-L667 HydrophobicContact CB-CD1 4.41Å; L585-L667 HydrophobicContact CB-CD2 3.79Å; L585-L667 HydrophobicContact CD1-CD2 4.25Å; M586-L667 HydrophobicContact CE-CB 4.33Å; M586-L667 HydrophobicContact CE-CD2 3.67Å; V589-L667 HydrophobicContact CG2-CB 3.84Å; V589-L667 HydrophobicContact CG2-CD1 4.29Å; I601-L667 HydrophobicContact CD1-CD1 3.61Å; I601-L667 HydrophobicContact CG1-CD1 3.94Å; M649-L667 HydrophobicContact CE-CD2 3.61Å; M649-L667 HydrophobicContact SD-CD2 3.98Å; H663-L667 VanDerWaalsContact O-CB 3.32Å; H663-L667 WeakPolarHBondContact O-CB 3.45Å; H663-L667 PolarHBondContact O-N 3.04Å; V664-L667 PolarHBondContact O-N 3.14Å; N665-L667 VanDerWaalsContact C-N 3.34Å; N665-L667 PolarHBondContact O-N 2.92Å; L667-K669 VanDerWaalsContact C-N 3.33Å; L667-K669 PolarHBondContact O-N 3.48Å; L667-T670 WeakPolarHBondContact O-CA 3.15Å; L667-T670 VanDerWaalsContact O-CB 3.29Å; L667-T670 WeakPolarHBondContact O-CB 3.41Å; L667-T670 PolarHBondContact O-N 2.99Å; L667-T670 VanDerWaalsContact O-N 3.09Å; L667-I671 HydrophobicContact CD1-CD1 4.17Å; L667-I671 HydrophobicContact CG-CD1 4.02Å; L667-I671 WeakPolarHBondContact O-CG1 3.28Å; L667-I671 PolarHBondContact O-N 3.24Å |
| 668 | I | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | -176.7 | -65.7 | -65.7 | 0 | 0 | 0 | 110.5 | F577 F620 A641 L648 V664 N665 I671 I672 | F577-I668 HydrophobicContact CE2-CD1 3.84Å; F577-I668 HydrophobicContact CZ-CD1 3.98Å; F620-I668 HydrophobicContact CE1-CG2 4.16Å; F620-I668 HydrophobicContact CZ-CD1 4.16Å; A641-I668 HydrophobicContact CB-CB 4Å; A641-I668 HydrophobicContact CB-CG2 3.83Å; L648-I668 HydrophobicContact CD1-CD1 4.42Å; V664-I668 HydrophobicContact CG1-CG1 4.32Å; V664-I668 VanDerWaalsContact O-CG1 3.29Å; V664-I668 WeakPolarHBondContact O-CG1 3.34Å; V664-I668 PolarHBondContact O-N 3.21Å; N665-I668 PolarHBondContact O-N 2.99Å; I668-I671 HydrophobicContact CD1-CD1 4.49Å; I668-I671 PolarHBondContact O-N 2.96Å; I668-I671 VanDerWaalsContact O-N 3.14Å; I668-I672 HydrophobicContact CG2-CD1 4.09Å; I668-I672 WeakPolarHBondContact O-CG1 3.23Å; I668-I672 PolarHBondContact O-N 3.35Å |
| 669 | K | 94.8 | Very high | 91.4 | Very high | 57 Ų | 57 | 35 Ų | 35 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 168.8 | 169.7 | -176.6 | 155.3 | -153.4 | 0 | 111.9 | P637 Y638 A641 N665 E666 L667 I671 I672 I673 | P637-K669 HydrophobicContact CB-CG 4.47Å; Y638-K669 HydrophobicContact CD2-CD 3.89Å; Y638-K669 HydrophobicContact CG-CD 4.43Å; A641-K669 HydrophobicContact CB-CB 3.86Å; N665-K669 WeakPolarHBondContact O-CB 3.15Å; N665-K669 PolarHBondContact O-N 2.96Å; E666-K669 IonicContact OE1-NZ 3.21Å; E666-K669 WeakPolarHBondContact OE2-CD 3.45Å; E666-K669 WeakPolarHBondContact OE2-CE 3.41Å; E666-K669 IonicContact OE2-NZ 2.68Å; E666-K669 PolarHBondContact OE2-NZ 2.92Å; L667-K669 VanDerWaalsContact C-N 3.33Å; L667-K669 PolarHBondContact O-N 3.48Å; K669-I671 VanDerWaalsContact C-N 3.27Å; K669-I671 PolarHBondContact O-N 3.43Å; K669-I672 PolarHBondContact O-N 3.14Å; K669-I673 HydrophobicContact CG-CD1 3.81Å; K669-I673 WeakPolarHBondContact O-CG1 3.24Å; K669-I673 PolarHBondContact O-N 3Å |
| 670 | T | 93.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.6 | -43.3 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | L594 R597 I601 E666 L667 I673 Q674 I678 | L594-T670 HydrophobicContact CD1-CG2 3.88Å; R597-T670 HydrophobicContact CG-CG2 4.17Å; R597-T670 PolarHBondContact NH1-OG1 3.31Å; R597-T670 VanDerWaalsContact NH1-OG1 3.11Å; I601-T670 HydrophobicContact CD1-CG2 3.64Å; E666-T670 WeakPolarHBondContact O-CB 3.48Å; E666-T670 PolarHBondContact O-N 3.46Å; E666-T670 PolarHBondContact O-OG1 2.92Å; L667-T670 WeakPolarHBondContact O-CA 3.15Å; L667-T670 VanDerWaalsContact O-CB 3.29Å; L667-T670 WeakPolarHBondContact O-CB 3.41Å; L667-T670 PolarHBondContact O-N 2.99Å; L667-T670 VanDerWaalsContact O-N 3.09Å; T670-I673 PolarHBondContact O-N 3.38Å; T670-Q674 WeakPolarHBondContact O-CB 3.37Å; T670-Q674 PolarHBondContact O-N 3.42Å; T670-I678 HydrophobicContact CG2-CD1 4.5Å |
| 671 | I | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.9 | -38.2 | -179.5 | -61.5 | 167.9 | 0 | 0 | 0 | 112 | F577 I601 L605 F620 L667 I668 K669 H675 I678 F679 | F577-I671 HydrophobicContact CE1-CD1 3.77Å; F577-I671 HydrophobicContact CZ-CD1 3.78Å; I601-I671 HydrophobicContact CG2-CD1 4.17Å; I601-I671 HydrophobicContact CG2-CG1 4.04Å; L605-I671 HydrophobicContact CD1-CD1 4.5Å; F620-I671 HydrophobicContact CB-CG2 4.4Å; F620-I671 HydrophobicContact CD1-CB 4.23Å; F620-I671 HydrophobicContact CD1-CG2 3.59Å; F620-I671 HydrophobicContact CD2-CG2 3.71Å; F620-I671 HydrophobicContact CE1-CB 4Å; F620-I671 HydrophobicContact CE1-CG2 3.64Å; F620-I671 HydrophobicContact CE2-CG2 3.78Å; F620-I671 HydrophobicContact CG-CG2 3.63Å; F620-I671 HydrophobicContact CZ-CB 4.3Å; F620-I671 HydrophobicContact CZ-CG2 3.75Å; L667-I671 HydrophobicContact CD1-CD1 4.17Å; L667-I671 HydrophobicContact CG-CD1 4.02Å; L667-I671 WeakPolarHBondContact O-CG1 3.28Å; L667-I671 PolarHBondContact O-N 3.24Å; I668-I671 HydrophobicContact CD1-CD1 4.49Å; I668-I671 PolarHBondContact O-N 2.96Å; I668-I671 VanDerWaalsContact O-N 3.14Å; K669-I671 VanDerWaalsContact C-N 3.27Å; K669-I671 PolarHBondContact O-N 3.43Å; I671-H675 WeakPolarHBondContact O-CA 3.49Å; I671-H675 WeakPolarHBondContact O-CB 3.3Å; I671-H675 PolarHBondContact O-N 3.48Å; I671-H675 VanDerWaalsContact O-N 3.09Å; I671-I678 HydrophobicContact CB-CD1 4.39Å; I671-I678 HydrophobicContact CG1-CD1 4.1Å; I671-F679 HydrophobicContact CG2-CE2 3.63Å; I671-F679 HydrophobicContact CG2-CZ 3.7Å |
| 672 | I | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 173.6 | -66.8 | 164.3 | 0 | 0 | 0 | 110.8 | F620 L623 N624 P637 L640 A641 I668 K669 H675 | F620-I672 HydrophobicContact CD1-CG1 3.71Å; F620-I672 HydrophobicContact CE1-CG1 3.91Å; L623-I672 HydrophobicContact CB-CD1 4.47Å; L623-I672 HydrophobicContact CB-CG1 4.17Å; L623-I672 HydrophobicContact CB-CG2 4.46Å; L623-I672 HydrophobicContact CD1-CD1 4.41Å; L623-I672 HydrophobicContact CD1-CG1 4.39Å; N624-I672 HydrophobicContact CB-CG2 4.46Å; N624-I672 PolarHBondContact ND2-O 3.2Å; P637-I672 HydrophobicContact CB-CG2 4.02Å; L640-I672 HydrophobicContact CB-CD1 4.02Å; A641-I672 HydrophobicContact CB-CD1 4.35Å; I668-I672 HydrophobicContact CG2-CD1 4.09Å; I668-I672 WeakPolarHBondContact O-CG1 3.23Å; I668-I672 PolarHBondContact O-N 3.35Å; K669-I672 PolarHBondContact O-N 3.14Å; I672-H675 PolarHBondContact O-CD2 3.3Å |
| 673 | I | 94.1 | Very high | 90.8 | Very high | 70 Ų | 70 | 44.7 Ų | 44.7 | 36% | 0.359 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -73.1 | -41.1 | -177.6 | -64.7 | 168.6 | 0 | 0 | 0 | 111.6 | P637 K669 T670 | P637-I673 HydrophobicContact CB-CD1 4.19Å; P637-I673 HydrophobicContact CB-CG1 3.91Å; P637-I673 HydrophobicContact CG-CG1 4.18Å; K669-I673 HydrophobicContact CG-CD1 3.81Å; K669-I673 WeakPolarHBondContact O-CG1 3.24Å; K669-I673 PolarHBondContact O-N 3Å; T670-I673 PolarHBondContact O-N 3.38Å |
| 674 | Q | 93 | Very high | 90.4 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 12% | 0.117 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 22.7 | -172 | -64.7 | -67 | -33.3 | 0 | 0 | 113.7 | L594 A598 T670 E676 N677 I678 | L594-Q674 HydrophobicContact CD1-CG 4.35Å; L594-Q674 HydrophobicContact CD2-CG 4.29Å; L594-Q674 HydrophobicContact CG-CG 4.07Å; A598-Q674 HydrophobicContact CB-CB 3.93Å; A598-Q674 HydrophobicContact CB-CG 4.16Å; T670-Q674 WeakPolarHBondContact O-CB 3.37Å; T670-Q674 PolarHBondContact O-N 3.42Å; Q674-E676 VanDerWaalsContact C-N 3.28Å; Q674-E676 PolarHBondContact O-N 3.4Å; Q674-E676 VanDerWaalsContact O-N 3.17Å; Q674-N677 PolarHBondContact O-N 3.11Å; Q674-N677 PolarHBondContact OE1-ND2 3.32Å; Q674-I678 HydrophobicContact CB-CD1 3.69Å; Q674-I678 HydrophobicContact CB-CG1 4.18Å; Q674-I678 WeakPolarHBondContact O-CB 3.21Å; Q674-I678 WeakPolarHBondContact O-CG1 3.4Å; Q674-I678 PolarHBondContact O-N 2.77Å |
| 675 | H | 92.7 | Very high | 90.1 | Very high | 27 Ų | 27 | 46.4 Ų | 46.4 | 13% | 0.125 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.2 | -38.4 | -171.9 | 73.3 | 97.6 | 0 | 0 | 0 | 113.8 | F620 N624 I671 I672 N677 I678 F679 | F620-H675 HydrophobicContact CB-CB 4.04Å; N624-H675 VanDerWaalsContact CB-CD2 3.44Å; N624-H675 WeakPolarHBondContact CB-CD2 3.47Å; N624-H675 PolarHBondContact ND2-CD2 3.04Å; I671-H675 WeakPolarHBondContact O-CA 3.49Å; I671-H675 WeakPolarHBondContact O-CB 3.3Å; I671-H675 PolarHBondContact O-N 3.48Å; I671-H675 VanDerWaalsContact O-N 3.09Å; I672-H675 PolarHBondContact O-CD2 3.3Å; H675-N677 PolarHBondContact O-N 3.34Å; H675-I678 PolarHBondContact O-N 3.29Å; H675-F679 HydrophobicContact CB-CD2 4.08Å; H675-F679 HydrophobicContact CB-CE2 4.29Å; H675-F679 WeakPolarHBondContact O-CD2 3.48Å; H675-F679 PolarHBondContact O-N 3.22Å |
| 676 | E | 90.4 | Very high | 89.4 | Confident | 140 Ų | 140 | 54.4 Ų | 54.4 | 65% | 0.654 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68.7 | -31.1 | 178.4 | -54 | -166.7 | 155.1 | 0 | 0 | 113.5 | Q674 | Q674-E676 VanDerWaalsContact C-N 3.28Å; Q674-E676 PolarHBondContact O-N 3.4Å; Q674-E676 VanDerWaalsContact O-N 3.17Å |
| 677 | N | 90.5 | Very high | 88.9 | Confident | 89 Ų | 89 | 53.3 Ų | 53.3 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -82.5 | -27.9 | 176.2 | -73.8 | -45.1 | 0 | 0 | 0 | 112 | R602 Q674 H675 | R602-N677 WeakPolarHBondContact CD-O 3.46Å; R602-N677 PolarHBondContact NH1-O 3.05Å; Q674-N677 PolarHBondContact O-N 3.11Å; Q674-N677 PolarHBondContact OE1-ND2 3.32Å; H675-N677 PolarHBondContact O-N 3.34Å |
| 678 | I | 92.5 | Very high | 88.4 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -86.1 | -44.6 | -175.7 | -71.8 | 167.8 | 0 | 0 | 0 | 112.6 | A598 I601 R602 L605 T670 I671 Q674 H675 | A598-I678 HydrophobicContact CB-CD1 4.12Å; A598-I678 HydrophobicContact CB-CG1 3.84Å; I601-I678 HydrophobicContact CB-CD1 4.45Å; I601-I678 HydrophobicContact CD1-CD1 4.47Å; I601-I678 HydrophobicContact CG2-CD1 4.18Å; I601-I678 HydrophobicContact CG2-CG1 4.43Å; I601-I678 HydrophobicContact CG2-CG2 3.91Å; R602-I678 WeakPolarHBondContact CB-O 3.26Å; R602-I678 VanDerWaalsContact CD-O 3.31Å; R602-I678 WeakPolarHBondContact CD-O 3.5Å; R602-I678 WeakPolarHBondContact CG-O 3.27Å; L605-I678 HydrophobicContact CD1-CG2 3.84Å; T670-I678 HydrophobicContact CG2-CD1 4.5Å; I671-I678 HydrophobicContact CB-CD1 4.39Å; I671-I678 HydrophobicContact CG1-CD1 4.1Å; Q674-I678 HydrophobicContact CB-CD1 3.69Å; Q674-I678 HydrophobicContact CB-CG1 4.18Å; Q674-I678 WeakPolarHBondContact O-CB 3.21Å; Q674-I678 WeakPolarHBondContact O-CG1 3.4Å; Q674-I678 PolarHBondContact O-N 2.77Å; H675-I678 PolarHBondContact O-N 3.29Å |
| 679 | F | 92.5 | Very high | 87.9 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 1% | 0.013 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -92.2 | 146.8 | -177.2 | -62.8 | -65.9 | 0 | 0 | 0 | 112.1 | L605 L613 M616 R617 F620 I671 H675 | L605-F679 HydrophobicContact CD1-CE1 3.86Å; L605-F679 HydrophobicContact CD1-CZ 4.12Å; L613-F679 HydrophobicContact CD2-CD1 4.23Å; L613-F679 HydrophobicContact CD2-CE1 4.36Å; M616-F679 HydrophobicContact CB-CD1 4.23Å; M616-F679 HydrophobicContact CB-CE1 3.5Å; M616-F679 VanDerWaalsContact CB-CE1 3.5Å; M616-F679 HydrophobicContact CB-CZ 3.72Å; M616-F679 HydrophobicContact CG-CE1 4.23Å; M616-F679 HydrophobicContact CG-CZ 4.45Å; M616-F679 HydrophobicContact SD-CE1 3.73Å; M616-F679 HydrophobicContact SD-CZ 4.2Å; R617-F679 HydrophobicContact CB-CB 4Å; R617-F679 HydrophobicContact CB-CG 4.13Å; R617-F679 HydrophobicContact CG-CB 3.93Å; R617-F679 HydrophobicContact CG-CG 4.48Å; F620-F679 HydrophobicContact CB-CE2 3.79Å; F620-F679 AromaticContact CD2-CE2 3.73Å; F620-F679 HydrophobicContact CD2-CE2 3.73Å; F620-F679 AromaticContact CD2-CZ 3.67Å; F620-F679 HydrophobicContact CD2-CZ 3.67Å; F620-F679 HydrophobicContact CE2-CZ 4.25Å; F620-F679 AromaticContact CG-CE2 3.97Å; F620-F679 HydrophobicContact CG-CE2 3.97Å; F620-F679 HydrophobicContact CG-CZ 4.36Å; I671-F679 HydrophobicContact CG2-CE2 3.63Å; I671-F679 HydrophobicContact CG2-CZ 3.7Å; H675-F679 HydrophobicContact CB-CD2 4.08Å; H675-F679 HydrophobicContact CB-CE2 4.29Å; H675-F679 WeakPolarHBondContact O-CD2 3.48Å; H675-F679 PolarHBondContact O-N 3.22Å |
| 680 | P | 88.1 | Confident | 87.6 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 139.5 | 178.2 | -20.7 | 33 | 0 | 0 | 0 | 111.7 | L606 R617 E684 L685 | L606-P680 HydrophobicContact CD2-CG 3.87Å; R617-P680 WeakPolarHBondContact CD-O 3.29Å; R617-P680 PolarHBondContact NE-O 2.87Å; P680-E684 HydrophobicContact CB-CB 3.72Å; P680-L685 HydrophobicContact CB-CB 3.84Å; P680-L685 HydrophobicContact CG-CB 4.39Å; P680-L685 HydrophobicContact CG-CD2 4.31Å |
| 681 | S | 82.6 | Confident | 87 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 161.4 | 178.2 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | R683 E684 L685 | S681-R683 PolarHBondContact O-N 3.02Å; S681-E684 WeakPolarHBondContact CB-OE1 3.34Å; S681-E684 PolarHBondContact N-OE1 3.47Å; S681-E684 VanDerWaalsContact N-OE1 3.07Å; S681-E684 PolarHBondContact O-N 3.3Å; S681-E684 PolarHBondContact OG-OE1 2.6Å; S681-L685 PolarHBondContact O-N 3.35Å |
| 682 | P | 78.4 | Confident | 86.3 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -14.6 | 175.8 | -25.3 | 35.7 | 0 | 0 | 0 | 114.6 | V689 | P682-V689 HydrophobicContact CB-CG2 4.09Å; P682-V689 HydrophobicContact CG-CG2 3.72Å |
| 683 | R | 77.3 | Confident | 84.1 | Confident | 247 Ų | 247 | 71.3 Ų | 71.3 | 93% | 0.932 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -20.8 | 172.5 | -62.4 | -179.3 | -179.8 | 173.8 | 1.1 | 113.4 | S681 | S681-R683 PolarHBondContact O-N 3.02Š|
| 684 | E | 81.4 | Confident | 81.5 | Confident | 110 Ų | 110 | 71.5 Ų | 71.5 | 51% | 0.514 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -35 | 177.3 | -67.4 | 162.4 | -105.5 | 0 | 0 | 112.2 | R602 P680 S681 | R602-E684 IonicContact CZ-OE2 2.7Å; R602-E684 IonicContact NH2-OE1 2.64Å; R602-E684 PolarHBondContact NH2-OE1 3.41Å; R602-E684 IonicContact NH2-OE2 3.11Å; R602-E684 PolarHBondContact NH2-OE2 3.06Å; P680-E684 HydrophobicContact CB-CB 3.72Å; S681-E684 WeakPolarHBondContact CB-OE1 3.34Å; S681-E684 PolarHBondContact N-OE1 3.47Å; S681-E684 VanDerWaalsContact N-OE1 3.07Å; S681-E684 PolarHBondContact O-N 3.3Å; S681-E684 PolarHBondContact OG-OE1 2.6Å |
| 685 | L | 84.6 | Confident | 78.4 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -134.8 | 91.6 | -178 | -175.8 | 59.8 | 0 | 0 | 0 | 111.3 | K610 L613 I614 R617 P680 S681 | K610-L685 HydrophobicContact CB-CD1 4.04Å; K610-L685 HydrophobicContact CD-CD1 3.9Å; K610-L685 HydrophobicContact CG-CD1 3.94Å; L613-L685 HydrophobicContact CB-CD2 3.72Å; I614-L685 HydrophobicContact CG1-CD1 4.46Å; I614-L685 HydrophobicContact CG1-CD2 4.03Å; I614-L685 HydrophobicContact CG1-CG 4.04Å; R617-L685 PolarHBondContact NH2-O 3.43Å; R617-L685 VanDerWaalsContact NH2-O 3.13Å; P680-L685 HydrophobicContact CB-CB 3.84Å; P680-L685 HydrophobicContact CG-CB 4.39Å; P680-L685 HydrophobicContact CG-CD2 4.31Å; S681-L685 PolarHBondContact O-N 3.35Å |
| 686 | E | 79 | Confident | 75.6 | Confident | 182 Ų | 182 | 82.9 Ų | 82.9 | 85% | 0.85 | 46% | 0.462 | S | S | * | . | trans | -57.3 | 131.2 | 172.5 | -173.6 | 175.1 | -152.6 | 0 | 0 | 111.3 | ||||
| 687 | G | 81.5 | Confident | 73 | Confident | 26 Ų | 26 | 84.2 Ų | 84.2 | 27% | 0.268 | 47% | 0.468 | S | S | . | . | S | Bend | trans | 150.8 | 161.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R617 | R617-G687 PolarHBondContact NH2-O 2.89Š|
| 688 | P | 83.6 | Confident | 70 | Confident | 59 Ų | 59 | 87.6 Ų | 87.6 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | trans | -52.9 | 147.9 | -173.7 | -25.8 | 34.1 | 0 | 0 | 0 | 113.4 | A503 I504 R617 | A503-P688 HydrophobicContact CB-CG 4.08Å; I504-P688 HydrophobicContact CD1-CB 3.78Å; I504-P688 HydrophobicContact CD1-CG 4.33Å; I504-P688 HydrophobicContact CG1-CB 4.41Å; I504-P688 HydrophobicContact CG1-CG 4.45Å; R617-P688 PolarHBondContact NH1-O 3.35Å; R617-P688 PolarHBondContact NH2-O 3.05Å | ||
| 689 | V | 84.5 | Confident | 67.1 | Low | 69 Ų | 69 | 98.2 Ų | 98.2 | 42% | 0.418 | 53% | 0.528 | S | S | . | . | trans | -120.5 | 143.4 | 179.9 | -170.9 | 0 | 0 | 0 | 0 | 107.7 | P682 S691 | P682-V689 HydrophobicContact CB-CG2 4.09Å; P682-V689 HydrophobicContact CG-CG2 3.72Å; V689-S691 PolarHBondContact O-N 3.45Å | ||
| 690 | Y | 88.1 | Confident | 64.1 | Low | 19 Ų | 19 | 102.8 Ų | 102.8 | 8% | 0.075 | 56% | 0.559 | C | S | . | * | trans | -74 | 111.8 | 172 | 174.1 | -100.8 | 0 | 0 | 0 | 108.8 | I512 S516 Y618 A621 F622 H625 R692 | I512-Y690 HydrophobicContact CG2-CD2 3.9Å; I512-Y690 HydrophobicContact CG2-CE2 3.77Å; S516-Y690 PolarHBondContact OG-OH 3.2Å; Y618-Y690 HydrophobicContact CE1-CD2 4.3Å; Y618-Y690 HydrophobicContact CE2-CD2 4.35Å; A621-Y690 HydrophobicContact CB-CD1 4.17Å; F622-Y690 HydrophobicContact CB-CD1 4.28Å; F622-Y690 HydrophobicContact CB-CD2 4.01Å; F622-Y690 HydrophobicContact CB-CE1 4.29Å; F622-Y690 HydrophobicContact CB-CE2 4.03Å; F622-Y690 HydrophobicContact CB-CG 4.14Å; F622-Y690 AromaticContact CD2-CE2 3.98Å; F622-Y690 HydrophobicContact CD2-CE2 3.98Å; F622-Y690 AromaticContact CD2-CZ 3.93Å; F622-Y690 HydrophobicContact CG-CE2 4.44Å; H625-Y690 HydrophobicContact CB-CE1 3.73Å; H625-Y690 AromaticContact CG-CE1 4Å; H625-Y690 AromaticContact ND1-CE1 3.74Å; H625-Y690 AromaticContact ND1-CZ 3.75Å; H625-Y690 PolarHBondContact ND1-OH 3.38Å; Y690-R692 HydrophobicContact CE1-CG 4.36Å | ||
| 691 | S | 81.3 | Confident | 61.1 | Low | 96 Ų | 96 | 110.1 Ų | 110.1 | 67% | 0.671 | 60% | 0.598 | S | S | * | * | trans | -94.6 | 134.7 | 173.5 | -62.9 | 0 | 0 | 0 | 0 | 109.7 | V689 G693 | V689-S691 PolarHBondContact O-N 3.45Å; S691-G693 PolarHBondContact O-N 3.21Å | ||
| 692 | R | 80.2 | Confident | 58.3 | Low | 135 Ų | 135 | 113 Ų | 113 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | trans | -69.6 | 94.5 | 174.9 | -58.3 | -179.2 | -174.2 | -155.6 | 1.1 | 109.5 | Q628 Y690 G694 | Q628-R692 VanDerWaalsContact NE2-NH2 3.17Å; Q628-R692 VanDerWaalsContact OE1-CZ 3.29Å; Y690-R692 HydrophobicContact CE1-CG 4.36Å; R692-G694 PolarHBondContact O-N 2.89Å | ||
| 693 | G | 49.5 | Very low | 56.7 | Low | 59 Ų | 59 | 114 Ų | 114 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | trans | -77.9 | 79.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S691 | S691-G693 PolarHBondContact O-N 3.21Š| ||
| 694 | G | 39.2 | Very low | 54.4 | Low | 73 Ų | 73 | 111 Ų | 111 | 75% | 0.753 | 62% | 0.62 | S | S | * | * | trans | -167.7 | 32.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | R692 | R692-G694 PolarHBondContact O-N 2.89Š| ||
| 695 | S | 27.8 | Very low | 51.7 | Low | 101 Ų | 101 | 109 Ų | 109 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | trans | -88.9 | 120.3 | 165.4 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | E697 | S695-E697 PolarHBondContact O-N 2.62Š| ||
| 696 | M | 34.8 | Very low | 48.8 | Very low | 191 Ų | 191 | 117.3 Ų | 117.3 | 94% | 0.941 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -85.3 | 57.1 | 167.8 | -170.3 | -177.2 | 128.4 | 0 | 0 | 110.3 | ||
| 697 | E | 35.9 | Very low | 46.2 | Very low | 167 Ų | 167 | 114 Ų | 114 | 78% | 0.78 | 66% | 0.661 | S | S | * | * | trans | -167.2 | 103.7 | 168.7 | -115 | 163.6 | -150.9 | 0 | 0 | 109.2 | S695 | S695-E697 PolarHBondContact O-N 2.62Š| ||
| 698 | D | 28.3 | Very low | 43.4 | Very low | 161 Ų | 161 | 118.6 Ų | 118.6 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | trans | -174.2 | 92.5 | 143.1 | -111.2 | -21 | 0 | 0 | 0 | 111.2 | ||||
| 699 | Y | 30.1 | Very low | 40.6 | Very low | 225 Ų | 225 | 120.9 Ų | 120.9 | 88% | 0.882 | 70% | 0.701 | S | S | * | * | trans | -140 | 70.5 | 160.1 | -168.3 | -87.2 | 0 | 0 | 0 | 109.1 | ||||
| 700 | C | 29 | Very low | 37.9 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 66% | 0.662 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -176.9 | 142.9 | 139.1 | -104.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 701 | D | 25.8 | Very low | 35 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | 55.1 | 135.8 | 157.9 | -74.4 | -20.4 | 0 | 0 | 0 | 123.1 | ||||
| 702 | S | 25 | Very low | 32.4 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -116.4 | 165 | 155 | -152.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 703 | P | 44.8 | Very low | 29.8 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | cis | -131.6 | -169.1 | -1.6 | 35.7 | -15.8 | 0 | 0 | 0 | 113.9 | ||||
| 704 | H | 27.7 | Very low | 28.6 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | 126 | 142.4 | 151.8 | -68.3 | 89.8 | 0 | 0 | 0 | 115.6 | ||||
| 705 | G | 24.9 | Very low | 28 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 79.1 | 112.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 706 | E | 24.7 | Very low | 27.8 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | 81.5 | 103.7 | 59.8 | -69.5 | -161.7 | 133.8 | 0 | 0 | 116.2 | |||||
| 707 | T | 24.4 | Very low | 27.4 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 69% | 0.693 | 75% | 0.751 | S | S | * | * | trans | 73.4 | 118.3 | 136.9 | 57.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 708 | T | 22.4 | Very low | 26.8 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | 81 | 154.6 | 128.4 | 55.3 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 709 | S | 23.8 | Very low | 26.7 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 75 | 123.9 | 171 | 1.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 710 | V | 28.6 | Very low | 26.6 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | cis | 86.2 | 122.3 | 47.2 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 711 | E | 26.7 | Very low | 26.5 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | 29.7 | 135 | 154.1 | -57.1 | 166.7 | 159 | 0 | 0 | 118.1 | ||||
| 712 | D | 26.3 | Very low | 26.6 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | -178.9 | 169.4 | 54.5 | -170.6 | 24.6 | 0 | 0 | 0 | 113.2 | |||||
| 713 | S | 25.1 | Very low | 26.8 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 53% | 0.531 | 74% | 0.737 | S | S | . | * | trans | 53.3 | 106.4 | 147 | -75.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 714 | T | 26.3 | Very low | 25.9 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | 59.3 | 154.9 | 121.7 | 64.6 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 715 | Q | 26.3 | Very low | 26.1 | Very low | 175 Ų | 175 | 129.1 Ų | 129.1 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | 77.5 | 142.6 | 153.9 | -85.5 | 174 | -8.4 | 0 | 0 | 117.7 | ||||
| 716 | D | 22.8 | Very low | 26.5 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | -162.2 | 164.2 | -6.5 | -148 | 2 | 0 | 0 | 0 | 113.9 | ||||
| 717 | V | 25.6 | Very low | 27.2 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 62% | 0.618 | 75% | 0.748 | S | S | * | * | trans | 60.1 | 110.4 | 139.2 | 146.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 718 | T | 23.5 | Very low | 28 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 86.5 | 156.2 | 131.9 | 62.9 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 719 | A | 26.9 | Very low | 29.7 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 76.4 | 102.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 720 | E | 28.3 | Very low | 31.8 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | cis | 89.7 | 120.5 | 43.6 | -70.7 | -169.3 | 165.1 | 0 | 0 | 116.2 | ||||
| 721 | H | 26.3 | Very low | 34.5 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | trans | -162.9 | 117.2 | 137.8 | -88.3 | -32.2 | 0 | 0 | 0 | 107 | ||||
| 722 | H | 27.5 | Very low | 37.5 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 68% | 0.676 | 70% | 0.699 | S | S | * | * | 67 | 128.2 | 84.7 | -69.8 | -154.7 | 0 | 0 | 0 | 112.8 | |||||
| 723 | T | 29.1 | Very low | 40.5 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 74% | 0.736 | 66% | 0.663 | S | S | * | * | cis | -152.7 | 169.3 | 3 | 18.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 724 | S | 27.2 | Very low | 43.7 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | -162.2 | 165.4 | 51.4 | 57 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 725 | D | 31.9 | Very low | 46.9 | Very low | 141 Ų | 141 | 114.6 Ų | 114.6 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | trans | -79.9 | 155.2 | -167.6 | -36.7 | -90 | 0 | 0 | 0 | 115.5 | ||||
| 726 | D | 32.9 | Very low | 50 | Low | 169 Ų | 169 | 111.1 Ų | 111.1 | 90% | 0.904 | 60% | 0.602 | S | S | * | * | trans | -151 | 107.7 | 130.7 | -149.4 | 10.3 | 0 | 0 | 0 | 108.2 | C728 | D726-C728 PolarHBondContact O-N 2.9Š| ||
| 727 | E | 40 | Very low | 53.1 | Low | 183 Ų | 183 | 109.6 Ų | 109.6 | 86% | 0.855 | 59% | 0.589 | S | S | * | * | trans | -78.7 | 108.2 | -178.4 | -75.7 | -166.5 | 124.8 | 0 | 0 | 110.5 | E729 | E727-E729 PolarHBondContact O-N 3.38Š| ||
| 728 | C | 41.4 | Very low | 56.2 | Low | 103 Ų | 103 | 108.2 Ų | 108.2 | 70% | 0.696 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 117.2 | 171.3 | -155.7 | 0 | 0 | 0 | 0 | 109.8 | D726 | D726-C728 PolarHBondContact O-N 2.9Š|
| 729 | E | 56.7 | Low | 59.5 | Low | 170 Ų | 170 | 103.1 Ų | 103.1 | 79% | 0.794 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 135 | 179 | -73.1 | -164.4 | 148.9 | 0 | 0 | 111.2 | E727 I731 | E727-E729 PolarHBondContact O-N 3.38Å; E729-I731 PolarHBondContact O-N 2.96Å |
| 730 | P | 68.3 | Low | 62.7 | Low | 67 Ų | 67 | 103.7 Ų | 103.7 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -76 | 119.7 | -173 | 32.3 | -36.8 | 0 | 0 | 0 | 111.1 | L756 L757 Y758 | P730-L756 HydrophobicContact CB-CD1 3.75Å; P730-L756 HydrophobicContact CB-CD2 4.08Å; P730-L756 HydrophobicContact CB-CG 3.81Å; P730-L756 HydrophobicContact CG-CD1 4.14Å; P730-L756 HydrophobicContact CG-CD2 4.41Å; P730-L756 HydrophobicContact CG-CG 4.49Å; P730-L757 CarbonylContact C-O 3.58Å; P730-L757 WeakPolarHBondContact CA-O 3.48Å; P730-Y758 HydrophobicContact CB-CD1 3.85Å; P730-Y758 HydrophobicContact CB-CE1 3.78Å |
| 731 | I | 84.9 | Confident | 65.5 | Low | 60 Ų | 60 | 96.9 Ų | 96.9 | 31% | 0.308 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 123.4 | -168.8 | -61.7 | 169 | 0 | 0 | 0 | 110.4 | E729 L757 W766 V784 | E729-I731 PolarHBondContact O-N 2.96Å; I731-L757 HydrophobicContact CB-CB 4.3Å; I731-L757 PolarHBondContact N-O 3.38Å; I731-L757 PolarHBondContact O-N 3.45Å; I731-W766 HydrophobicContact CD1-CH2 4.35Å; I731-W766 HydrophobicContact CD1-CZ3 4.2Å; I731-V784 HydrophobicContact CG2-CG1 3.52Å; I731-V784 HydrophobicContact CG2-CG2 4.36Å |
| 732 | E | 89.3 | Confident | 68.3 | Low | 112 Ų | 112 | 98.9 Ų | 98.9 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 136.2 | 173.2 | -70.5 | -159.6 | -175 | 0 | 0 | 112.4 | L756 Q785 | E732-L756 HydrophobicContact CG-CD1 3.97Å; E732-Q785 PolarHBondContact O-N 3.16Å |
| 733 | A | 91.2 | Very high | 70.9 | Confident | 1 Ų | 1 | 95.9 Ų | 95.9 | 1% | 0.008 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 152.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | L755 L757 I782 V783 V784 | A733-L755 PolarHBondContact N-O 3.39Å; A733-L755 WeakPolarHBondContact O-CB 3.3Å; A733-L755 PolarHBondContact O-N 3.39Å; A733-L757 HydrophobicContact CB-CD1 3.81Å; A733-L757 HydrophobicContact CB-CD2 4.34Å; A733-L757 HydrophobicContact CB-CG 4.01Å; A733-I782 HydrophobicContact CB-CB 4.47Å; A733-I782 HydrophobicContact CB-CD1 4.15Å; A733-V783 CarbonylContact C-O 3.5Å; A733-V783 VanDerWaalsContact CA-O 3.27Å; A733-V783 WeakPolarHBondContact CA-O 3.34Å; A733-V783 WeakPolarHBondContact CB-O 3.43Å; A733-V784 HydrophobicContact CB-CG2 4.4Å |
| 734 | I | 91.5 | Very high | 73.2 | Confident | 62 Ų | 62 | 95.7 Ų | 95.7 | 32% | 0.318 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.2 | 178.4 | -62 | -173.4 | 0 | 0 | 0 | 111 | K736 A753 I782 V783 Q785 | I734-K736 PolarHBondContact O-N 2.94Å; I734-A753 WeakPolarHBondContact CA-O 3.34Å; I734-I782 CarbonylContact O-C 3.57Å; I734-I782 WeakPolarHBondContact O-CA 3.31Å; I734-V783 PolarHBondContact N-O 3Å; I734-V783 PolarHBondContact O-N 3.21Å; I734-Q785 VanDerWaalsContact CD1-NE2 3.25Å |
| 735 | A | 93.7 | Very high | 76 | Confident | 2 Ų | 2 | 99.8 Ų | 99.8 | 2% | 0.017 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 113.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F749 K750 K751 G752 A753 L755 | A735-F749 HydrophobicContact CB-CD2 3.46Å; A735-F749 VanDerWaalsContact CB-CD2 3.46Å; A735-F749 HydrophobicContact CB-CE2 3.75Å; A735-F749 HydrophobicContact CB-CG 4.48Å; A735-K750 WeakPolarHBondContact CB-O 3.41Å; A735-K751 WeakPolarHBondContact O-CA 3.36Å; A735-G752 PolarHBondContact O-N 2.97Å; A735-A753 HydrophobicContact CB-CB 4.32Å; A735-A753 PolarHBondContact N-O 2.97Å; A735-L755 HydrophobicContact CB-CD1 4.13Å |
| 736 | K | 90.3 | Very high | 79 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 44% | 0.443 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -74.3 | -28.2 | 177.8 | -168.5 | 178.2 | 178.5 | 177.3 | 0 | 112.5 | I734 K751 Y781 V783 | I734-K736 PolarHBondContact O-N 2.94Å; K736-K751 WeakPolarHBondContact O-CD 3.32Å; K736-K751 VanDerWaalsContact O-CE 3.26Å; K736-K751 WeakPolarHBondContact O-CE 3.45Å; K736-K751 WeakPolarHBondContact O-CG 3.48Å; K736-K751 PolarHBondContact O-NZ 3.5Å; K736-Y781 VanDerWaalsContact CB-O 3.31Å; K736-Y781 WeakPolarHBondContact CB-O 3.47Å; K736-Y781 PolarHBondContact N-O 3.29Å; K736-V783 HydrophobicContact CB-CG2 4.22Å; K736-V783 HydrophobicContact CD-CG2 3.97Å; K736-V783 HydrophobicContact CG-CG2 4.25Å |
| 737 | F | 88 | Confident | 81.7 | Confident | 98 Ų | 98 | 87 Ų | 87 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -141.3 | 165.9 | -179.2 | -56.3 | -69.6 | 0 | 0 | 0 | 110.3 | Y781 | F737-Y781 HydrophobicContact CB-CD1 3.86Å; F737-Y781 HydrophobicContact CB-CE1 4.3Å; F737-Y781 HydrophobicContact CD2-CD1 4.44Å; F737-Y781 PolarHBondContact N-O 3.26Å |
| 738 | D | 91.3 | Very high | 84.2 | Confident | 73 Ų | 73 | 81.3 Ų | 81.3 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | trans | -68.3 | 137.1 | 167.1 | -83.1 | 18.6 | 0 | 0 | 0 | 109.5 | K750 K751 | D738-K750 HydrophobicContact CB-CD 4.44Å; D738-K750 VanDerWaalsContact CG-CD 3.47Å; D738-K750 WeakPolarHBondContact OD2-CD 3.34Å; D738-K750 WeakPolarHBondContact OD2-CE 3.3Å; D738-K750 IonicContact OD2-NZ 3.22Å; D738-K750 PolarHBondContact OD2-NZ 3.43Å; D738-K751 WeakPolarHBondContact OD1-CB 3.47Å; D738-K751 PolarHBondContact OD1-N 2.99Å | ||
| 739 | Y | 93.1 | Very high | 86.7 | Confident | 23 Ų | 23 | 76.6 Ų | 76.6 | 9% | 0.09 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -128.7 | 140.1 | 171.3 | -164.7 | -105.6 | 0 | 0 | 0 | 111.6 | E746 S748 F749 W765 P778 Y781 | Y739-E746 HydrophobicContact CE1-CB 4.42Å; Y739-E746 PolarHBondContact OH-OE2 3.23Å; Y739-E746 VanDerWaalsContact OH-OE2 3.04Å; Y739-S748 WeakPolarHBondContact O-CA 3.43Å; Y739-F749 VanDerWaalsContact CB-CE2 3.49Å; Y739-F749 HydrophobicContact CD1-CE1 4.17Å; Y739-F749 HydrophobicContact CD1-CZ 4.36Å; Y739-F749 HydrophobicContact CG-CE1 4.35Å; Y739-F749 HydrophobicContact CG-CZ 4.11Å; Y739-F749 PolarHBondContact N-O 2.99Å; Y739-F749 PolarHBondContact O-N 2.9Å; Y739-W765 HydrophobicContact CE1-CH2 4.46Å; Y739-W765 WeakPolarHBondContact OH-CH2 3.5Å; Y739-P778 HydrophobicContact CD1-CG 3.83Å; Y739-P778 HydrophobicContact CD2-CG 3.79Å; Y739-P778 HydrophobicContact CE1-CG 3.77Å; Y739-P778 HydrophobicContact CE2-CG 3.72Å; Y739-P778 HydrophobicContact CG-CG 3.85Å; Y739-Y781 AromaticContact CD2-CD1 3.6Å; Y739-Y781 HydrophobicContact CD2-CD1 3.6Å; Y739-Y781 HydrophobicContact CD2-CD2 4.22Å; Y739-Y781 AromaticContact CD2-CE1 3.67Å; Y739-Y781 HydrophobicContact CD2-CE1 3.67Å; Y739-Y781 HydrophobicContact CD2-CE2 4.29Å; Y739-Y781 AromaticContact CD2-CG 3.91Å; Y739-Y781 HydrophobicContact CD2-CG 3.91Å; Y739-Y781 HydrophobicContact CE2-CE1 4.34Å; Y739-Y781 HydrophobicContact CE2-CE2 4.33Å; Y739-Y781 HydrophobicContact CG-CD1 4.28Å |
| 740 | V | 92.9 | Very high | 88.4 | Confident | 101 Ų | 101 | 73.2 Ų | 73.2 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | trans | -126.9 | 114.5 | 175.1 | -178.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 741 | G | 88.5 | Confident | 89.5 | Confident | 20 Ų | 20 | 75 Ų | 75 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | trans | -61.8 | 135.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | E746 S748 | G741-E746 VanDerWaalsContact CA-CB 3.45Å; G741-S748 PolarHBondContact N-OG 3.36Å | ||
| 742 | R | 84.9 | Confident | 89.6 | Confident | 215 Ų | 215 | 74.8 Ų | 74.8 | 81% | 0.811 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -90.9 | -25.9 | -178.7 | -58.6 | -179.4 | 179.3 | -174.2 | 0.7 | 112 | E746 | R742-E746 PolarHBondContact N-OE2 3.38Š|
| 743 | T | 82.6 | Confident | 89.7 | Confident | 82 Ų | 82 | 70.4 Ų | 70.4 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -118.9 | 163.1 | 173.1 | 67.7 | 0 | 0 | 0 | 0 | 111.5 | R745 E746 | T743-R745 PolarHBondContact O-N 3.12Å; T743-R745 VanDerWaalsContact O-N 3.1Å; T743-E746 VanDerWaalsContact CB-OE1 3.27Å; T743-E746 WeakPolarHBondContact CB-OE1 3.49Å; T743-E746 VanDerWaalsContact CG2-OE1 3.29Å; T743-E746 WeakPolarHBondContact CG2-OE1 3.48Å; T743-E746 PolarHBondContact N-OE1 3.35Å; T743-E746 PolarHBondContact O-N 2.85Å; T743-E746 PolarHBondContact OG1-OE1 3.02Å |
| 744 | A | 77.2 | Confident | 89.7 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 96% | 0.959 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -7.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 745 | R | 86.4 | Confident | 89.7 | Confident | 195 Ų | 195 | 70.6 Ų | 70.6 | 74% | 0.736 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -12.2 | 172 | -69.2 | -170.4 | 178.8 | -163.6 | 0.7 | 113.2 | T743 G775 L776 | T743-R745 PolarHBondContact O-N 3.12Å; T743-R745 VanDerWaalsContact O-N 3.1Å; R745-G775 CarbonylContact O-C 3.39Å; R745-G775 WeakPolarHBondContact O-CA 3.35Å; R745-L776 HydrophobicContact CB-CD1 4.4Å; R745-L776 PolarHBondContact O-N 3.24Å |
| 746 | E | 92.9 | Very high | 89.6 | Confident | 27 Ų | 27 | 72.9 Ų | 72.9 | 13% | 0.126 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -91.9 | 124.5 | -177.6 | -70.2 | 161 | -116.6 | 0 | 0 | 111.4 | Y739 G741 R742 T743 S748 W765 | Y739-E746 HydrophobicContact CE1-CB 4.42Å; Y739-E746 PolarHBondContact OH-OE2 3.23Å; Y739-E746 VanDerWaalsContact OH-OE2 3.04Å; G741-E746 VanDerWaalsContact CA-CB 3.45Å; R742-E746 PolarHBondContact N-OE2 3.38Å; T743-E746 VanDerWaalsContact CB-OE1 3.27Å; T743-E746 WeakPolarHBondContact CB-OE1 3.49Å; T743-E746 VanDerWaalsContact CG2-OE1 3.29Å; T743-E746 WeakPolarHBondContact CG2-OE1 3.48Å; T743-E746 PolarHBondContact N-OE1 3.35Å; T743-E746 PolarHBondContact O-N 2.85Å; T743-E746 PolarHBondContact OG1-OE1 3.02Å; E746-S748 PolarHBondContact O-N 2.67Å; E746-W765 HydrophobicContact CG-CH2 3.78Å; E746-W765 HydrophobicContact CG-CZ3 3.83Å |
| 747 | L | 90.4 | Very high | 89.7 | Confident | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 125.4 | -179.8 | -65.6 | 178.1 | 0 | 0 | 0 | 110.9 | F749 G768 H770 I773 L776 I777 | L747-F749 WeakPolarHBondContact O-CD1 3.39Å; L747-F749 WeakPolarHBondContact O-CE1 3.36Å; L747-G768 WeakPolarHBondContact CD1-O 3.26Å; L747-H770 HydrophobicContact CB-CB 4.45Å; L747-H770 HydrophobicContact CD1-CB 3.98Å; L747-I773 WeakPolarHBondContact CD1-O 3.49Å; L747-I773 HydrophobicContact CD2-CB 4.1Å; L747-I773 HydrophobicContact CD2-CG2 3.82Å; L747-L776 PolarHBondContact N-O 3.43Å; L747-I777 HydrophobicContact CB-CG1 4.26Å; L747-I777 HydrophobicContact CD1-CD1 3.99Å; L747-I777 HydrophobicContact CD1-CG1 3.86Å; L747-I777 HydrophobicContact CG-CG1 4.5Å |
| 748 | S | 93.3 | Very high | 89.6 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 131.7 | 172.1 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | Y739 G741 E746 H770 | Y739-S748 WeakPolarHBondContact O-CA 3.43Å; G741-S748 PolarHBondContact N-OG 3.36Å; E746-S748 PolarHBondContact O-N 2.67Å; S748-H770 PolarHBondContact O-CE1 3.31Å; S748-H770 VanDerWaalsContact O-CE1 3.25Å; S748-H770 PolarHBondContact O-ND1 3.22Å |
| 749 | F | 93.3 | Very high | 89.3 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 2% | 0.022 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -149.5 | 159.9 | -177.1 | 52.7 | -101.1 | 0 | 0 | 0 | 112.7 | A735 Y739 L747 A753 L755 I777 P778 I782 | A735-F749 HydrophobicContact CB-CD2 3.46Å; A735-F749 VanDerWaalsContact CB-CD2 3.46Å; A735-F749 HydrophobicContact CB-CE2 3.75Å; A735-F749 HydrophobicContact CB-CG 4.48Å; Y739-F749 VanDerWaalsContact CB-CE2 3.49Å; Y739-F749 HydrophobicContact CD1-CE1 4.17Å; Y739-F749 HydrophobicContact CD1-CZ 4.36Å; Y739-F749 HydrophobicContact CG-CE1 4.35Å; Y739-F749 HydrophobicContact CG-CZ 4.11Å; Y739-F749 PolarHBondContact N-O 2.99Å; Y739-F749 PolarHBondContact O-N 2.9Å; L747-F749 WeakPolarHBondContact O-CD1 3.39Å; L747-F749 WeakPolarHBondContact O-CE1 3.36Å; F749-A753 HydrophobicContact CB-CB 4.33Å; F749-L755 HydrophobicContact CB-CD2 4.08Å; F749-L755 HydrophobicContact CD1-CD1 4.17Å; F749-L755 HydrophobicContact CD1-CD2 4.05Å; F749-L755 HydrophobicContact CD2-CD1 4.12Å; F749-L755 HydrophobicContact CE1-CD1 4.17Å; F749-L755 HydrophobicContact CE2-CD1 4.09Å; F749-L755 HydrophobicContact CG-CD1 4.14Å; F749-L755 HydrophobicContact CG-CD2 4.08Å; F749-L755 HydrophobicContact CZ-CD1 4.11Å; F749-I777 HydrophobicContact CE1-CB 4.46Å; F749-I777 HydrophobicContact CE1-CG1 4.48Å; F749-I777 HydrophobicContact CE1-CG2 3.83Å; F749-I777 HydrophobicContact CZ-CG2 4.06Å; F749-P778 HydrophobicContact CZ-CG 4.41Å; F749-I782 HydrophobicContact CE2-CG2 4.32Å; F749-I782 HydrophobicContact CZ-CG2 4.08Å |
| 750 | K | 92.3 | Very high | 89 | Confident | 99 Ų | 99 | 74.4 Ų | 74.4 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | trans | -102.8 | 150.5 | 179.5 | -70.3 | -55.8 | -166.2 | -176.2 | 0 | 111.6 | A735 D738 G752 A753 | A735-K750 WeakPolarHBondContact CB-O 3.41Å; D738-K750 HydrophobicContact CB-CD 4.44Å; D738-K750 VanDerWaalsContact CG-CD 3.47Å; D738-K750 WeakPolarHBondContact OD2-CD 3.34Å; D738-K750 WeakPolarHBondContact OD2-CE 3.3Å; D738-K750 IonicContact OD2-NZ 3.22Å; D738-K750 PolarHBondContact OD2-NZ 3.43Å; K750-G752 PolarHBondContact O-N 2.98Å; K750-A753 WeakPolarHBondContact O-CB 3.08Å; K750-A753 PolarHBondContact O-N 2.89Å | ||
| 751 | K | 91.9 | Very high | 88.3 | Confident | 105 Ų | 105 | 72.1 Ų | 72.1 | 46% | 0.457 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 124.8 | 173.3 | 179.6 | 173.3 | 179.7 | 123.8 | 0 | 110.2 | A735 K736 D738 | A735-K751 WeakPolarHBondContact O-CA 3.36Å; K736-K751 WeakPolarHBondContact O-CD 3.32Å; K736-K751 VanDerWaalsContact O-CE 3.26Å; K736-K751 WeakPolarHBondContact O-CE 3.45Å; K736-K751 WeakPolarHBondContact O-CG 3.48Å; K736-K751 PolarHBondContact O-NZ 3.5Å; D738-K751 WeakPolarHBondContact OD1-CB 3.47Å; D738-K751 PolarHBondContact OD1-N 2.99Å |
| 752 | G | 86.3 | Confident | 88 | Confident | 54 Ų | 54 | 73.7 Ų | 73.7 | 56% | 0.557 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | -1.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A735 K750 | A735-G752 PolarHBondContact O-N 2.97Å; K750-G752 PolarHBondContact O-N 2.98Å |
| 753 | A | 91.4 | Very high | 87.6 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | trans | -65.4 | 139.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I734 A735 F749 K750 | I734-A753 WeakPolarHBondContact CA-O 3.34Å; A735-A753 HydrophobicContact CB-CB 4.32Å; A735-A753 PolarHBondContact N-O 2.97Å; F749-A753 HydrophobicContact CB-CB 4.33Å; K750-A753 WeakPolarHBondContact O-CB 3.08Å; K750-A753 PolarHBondContact O-N 2.89Å | ||
| 754 | S | 91.4 | Very high | 87.9 | Confident | 65 Ų | 65 | 68.9 Ų | 68.9 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 142 | 165.6 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 755 | L | 92.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.7 | -172.2 | -61.1 | 171 | 0 | 0 | 0 | 107.5 | A733 A735 F749 H770 I777 I782 | A733-L755 PolarHBondContact N-O 3.39Å; A733-L755 WeakPolarHBondContact O-CB 3.3Å; A733-L755 PolarHBondContact O-N 3.39Å; A735-L755 HydrophobicContact CB-CD1 4.13Å; F749-L755 HydrophobicContact CB-CD2 4.08Å; F749-L755 HydrophobicContact CD1-CD1 4.17Å; F749-L755 HydrophobicContact CD1-CD2 4.05Å; F749-L755 HydrophobicContact CD2-CD1 4.12Å; F749-L755 HydrophobicContact CE1-CD1 4.17Å; F749-L755 HydrophobicContact CE2-CD1 4.09Å; F749-L755 HydrophobicContact CG-CD1 4.14Å; F749-L755 HydrophobicContact CG-CD2 4.08Å; F749-L755 HydrophobicContact CZ-CD1 4.11Å; L755-H770 HydrophobicContact CD2-CB 3.64Å; L755-H770 VanDerWaalsContact CD2-CD2 3.48Å; L755-H770 WeakPolarHBondContact CD2-CD2 3.34Å; L755-I777 HydrophobicContact CB-CD1 4.22Å; L755-I777 HydrophobicContact CD1-CG2 3.99Å; L755-I777 HydrophobicContact CD2-CD1 4.3Å; L755-I782 HydrophobicContact CD1-CG2 3.44Å; L755-I782 VanDerWaalsContact CD1-CG2 3.44Å |
| 756 | L | 91.4 | Very high | 88.9 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116.2 | -177.5 | -169.9 | 68.7 | 0 | 0 | 0 | 108.9 | P730 E732 Y758 G768 R769 | P730-L756 HydrophobicContact CB-CD1 3.75Å; P730-L756 HydrophobicContact CB-CD2 4.08Å; P730-L756 HydrophobicContact CB-CG 3.81Å; P730-L756 HydrophobicContact CG-CD1 4.14Å; P730-L756 HydrophobicContact CG-CD2 4.41Å; P730-L756 HydrophobicContact CG-CG 4.49Å; E732-L756 HydrophobicContact CG-CD1 3.97Å; L756-Y758 HydrophobicContact CD2-CE1 4Å; L756-Y758 HydrophobicContact CG-CE1 4.21Å; L756-G768 CarbonylContact O-C 3.52Å; L756-G768 WeakPolarHBondContact O-CA 3.43Å; L756-R769 HydrophobicContact CB-CB 4.43Å; L756-R769 PolarHBondContact N-O 3.46Å; L756-R769 VanDerWaalsContact N-O 3.11Å; L756-R769 PolarHBondContact O-N 3.48Å |
| 757 | L | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 139.5 | -175.2 | -43.4 | 179.1 | 0 | 0 | 0 | 110.5 | P730 I731 A733 W766 I777 I782 V784 | P730-L757 CarbonylContact C-O 3.58Å; P730-L757 WeakPolarHBondContact CA-O 3.48Å; I731-L757 HydrophobicContact CB-CB 4.3Å; I731-L757 PolarHBondContact N-O 3.38Å; I731-L757 PolarHBondContact O-N 3.45Å; A733-L757 HydrophobicContact CB-CD1 3.81Å; A733-L757 HydrophobicContact CB-CD2 4.34Å; A733-L757 HydrophobicContact CB-CG 4.01Å; L757-W766 HydrophobicContact CB-CD2 4.37Å; L757-W766 HydrophobicContact CB-CE3 3.81Å; L757-W766 HydrophobicContact CB-CZ3 4.37Å; L757-W766 HydrophobicContact CD1-CB 4.47Å; L757-W766 HydrophobicContact CD1-CD2 3.73Å; L757-W766 HydrophobicContact CD1-CE3 3.86Å; L757-W766 HydrophobicContact CD1-CG 4.01Å; L757-W766 HydrophobicContact CD1-CZ3 4.34Å; L757-W766 HydrophobicContact CD2-CB 4.07Å; L757-W766 HydrophobicContact CD2-CG 4.45Å; L757-W766 HydrophobicContact CG-CE3 4.42Å; L757-I777 HydrophobicContact CD2-CB 4.48Å; L757-I777 HydrophobicContact CD2-CD1 3.84Å; L757-I777 HydrophobicContact CD2-CG2 4.28Å; L757-I782 HydrophobicContact CD1-CD1 3.7Å; L757-I782 HydrophobicContact CD2-CD1 3.97Å; L757-I782 HydrophobicContact CG-CD1 4.47Å; L757-V784 HydrophobicContact CD1-CG2 3.9Å |
| 758 | Y | 85.6 | Confident | 89 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -49.6 | 179.2 | -59.2 | -51.5 | 0 | 0 | 0 | 112 | P730 L756 E767 R769 | P730-Y758 HydrophobicContact CB-CD1 3.85Å; P730-Y758 HydrophobicContact CB-CE1 3.78Å; L756-Y758 HydrophobicContact CD2-CE1 4Å; L756-Y758 HydrophobicContact CG-CE1 4.21Å; Y758-E767 PolarHBondContact N-O 3.27Å; Y758-R769 HydrophobicContact CE2-CB 3.85Å; Y758-R769 WeakPolarHBondContact OH-CB 3.46Å; Y758-R769 WeakPolarHBondContact OH-CD 3.41Å; Y758-R769 PolarHBondContact OH-NE 2.88Å; Y758-R769 PolarHBondContact OH-NH1 3.3Å |
| 759 | Q | 85.7 | Confident | 88.9 | Confident | 137 Ų | 137 | 63.4 Ų | 63.4 | 64% | 0.64 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 151 | -179.2 | -168.7 | 170 | 87.6 | 0 | 0 | 111 | A761 W766 E767 | Q759-A761 PolarHBondContact O-N 2.82Å; Q759-W766 CarbonylContact O-C 3.52Å; Q759-W766 WeakPolarHBondContact O-CA 3.48Å; Q759-E767 PolarHBondContact N-O 3Å; Q759-E767 PolarHBondContact O-N 3.12Å |
| 760 | R | 86.4 | Confident | 88.8 | Confident | 113 Ų | 113 | 64.2 Ų | 64.2 | 43% | 0.426 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 96.8 | 175.3 | -178.8 | 168.2 | 161.8 | 152.8 | -9.7 | 109.8 | S762 D763 W766 | R760-S762 VanDerWaalsContact C-N 3.29Å; R760-S762 WeakPolarHBondContact CG-O 3.42Å; R760-S762 PolarHBondContact O-N 2.93Å; R760-D763 IonicContact CZ-OD1 2.62Å; R760-D763 IonicContact NE-OD1 2.65Å; R760-D763 IonicContact NH2-OD1 2.79Å; R760-D763 PolarHBondContact NH2-OD1 3.41Å; R760-W766 HydrophobicContact CB-CD2 3.97Å; R760-W766 HydrophobicContact CB-CE3 3.86Å; R760-W766 HydrophobicContact CB-CH2 4.04Å; R760-W766 HydrophobicContact CB-CZ2 4.12Å; R760-W766 HydrophobicContact CB-CZ3 3.91Å; R760-W766 HydrophobicContact CG-CD2 4.37Å; R760-W766 HydrophobicContact CG-CZ2 4.31Å |
| 761 | A | 78.1 | Confident | 88.5 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -25.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q759 W765 E767 L776 | Q759-A761 PolarHBondContact O-N 2.82Å; A761-W765 PolarHBondContact N-O 3.22Å; A761-E767 HydrophobicContact CB-CG 4.11Å; A761-L776 HydrophobicContact CB-CD2 4.03Å |
| 762 | S | 83.4 | Confident | 87.9 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 178.1 | 167.5 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | R760 D764 W765 | R760-S762 VanDerWaalsContact C-N 3.29Å; R760-S762 WeakPolarHBondContact CG-O 3.42Å; R760-S762 PolarHBondContact O-N 2.93Å; S762-D764 PolarHBondContact O-N 2.88Å; S762-W765 PolarHBondContact N-O 2.94Å; S762-W765 PolarHBondContact O-N 3.29Å; S762-W765 WeakPolarHBondContact OG-CB 3.27Å; S762-W765 PolarHBondContact OG-N 2.84Å |
| 763 | D | 76 | Confident | 87.9 | Confident | 120 Ų | 120 | 67 Ų | 67 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.4 | 178.7 | -70.7 | -44 | 0 | 0 | 0 | 114.3 | R760 H779 | R760-D763 IonicContact CZ-OD1 2.62Å; R760-D763 IonicContact NE-OD1 2.65Å; R760-D763 IonicContact NH2-OD1 2.79Å; R760-D763 PolarHBondContact NH2-OD1 3.41Å; D763-H779 PolarHBondContact O-CD2 2.86Å |
| 764 | D | 88.5 | Confident | 87.9 | Confident | 77 Ų | 77 | 70.1 Ų | 70.1 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -6.9 | 177.9 | -82.5 | -49.7 | 0 | 0 | 0 | 114.3 | S762 P778 H779 Q780 | S762-D764 PolarHBondContact O-N 2.88Å; D764-P778 CarbonylContact O-C 3.51Å; D764-P778 WeakPolarHBondContact O-CA 3.45Å; D764-H779 PolarHBondContact O-N 2.92Å; D764-Q780 PolarHBondContact OD1-NE2 2.97Å |
| 765 | W | 92.2 | Very high | 87.9 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 26% | 0.261 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 139.6 | -170.5 | -61.6 | 90.9 | 0 | 0 | 0 | 114.5 | Y739 E746 A761 S762 L776 P778 | Y739-W765 HydrophobicContact CE1-CH2 4.46Å; Y739-W765 WeakPolarHBondContact OH-CH2 3.5Å; E746-W765 HydrophobicContact CG-CH2 3.78Å; E746-W765 HydrophobicContact CG-CZ3 3.83Å; A761-W765 PolarHBondContact N-O 3.22Å; S762-W765 PolarHBondContact N-O 2.94Å; S762-W765 PolarHBondContact O-N 3.29Å; S762-W765 WeakPolarHBondContact OG-CB 3.27Å; S762-W765 PolarHBondContact OG-N 2.84Å; W765-L776 HydrophobicContact CE3-CB 3.78Å; W765-L776 HydrophobicContact CZ3-CB 4.13Å; W765-P778 HydrophobicContact CD2-CB 4.28Å; W765-P778 HydrophobicContact CE3-CB 3.83Å; W765-P778 HydrophobicContact CE3-CG 4.36Å; W765-P778 HydrophobicContact CH2-CB 4.09Å; W765-P778 HydrophobicContact CH2-CG 4.32Å; W765-P778 HydrophobicContact CZ2-CB 4.46Å; W765-P778 HydrophobicContact CZ3-CB 3.75Å; W765-P778 HydrophobicContact CZ3-CG 3.89Å |
| 766 | W | 92.8 | Very high | 87.9 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 11% | 0.114 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143 | 171 | -68.1 | 77.8 | 0 | 0 | 0 | 110.4 | I731 L757 Q759 R760 L776 I777 H779 | I731-W766 HydrophobicContact CD1-CH2 4.35Å; I731-W766 HydrophobicContact CD1-CZ3 4.2Å; L757-W766 HydrophobicContact CB-CD2 4.37Å; L757-W766 HydrophobicContact CB-CE3 3.81Å; L757-W766 HydrophobicContact CB-CZ3 4.37Å; L757-W766 HydrophobicContact CD1-CB 4.47Å; L757-W766 HydrophobicContact CD1-CD2 3.73Å; L757-W766 HydrophobicContact CD1-CE3 3.86Å; L757-W766 HydrophobicContact CD1-CG 4.01Å; L757-W766 HydrophobicContact CD1-CZ3 4.34Å; L757-W766 HydrophobicContact CD2-CB 4.07Å; L757-W766 HydrophobicContact CD2-CG 4.45Å; L757-W766 HydrophobicContact CG-CE3 4.42Å; Q759-W766 CarbonylContact O-C 3.52Å; Q759-W766 WeakPolarHBondContact O-CA 3.48Å; R760-W766 HydrophobicContact CB-CD2 3.97Å; R760-W766 HydrophobicContact CB-CE3 3.86Å; R760-W766 HydrophobicContact CB-CH2 4.04Å; R760-W766 HydrophobicContact CB-CZ2 4.12Å; R760-W766 HydrophobicContact CB-CZ3 3.91Å; R760-W766 HydrophobicContact CG-CD2 4.37Å; R760-W766 HydrophobicContact CG-CZ2 4.31Å; W766-L776 CarbonylContact O-C 3.36Å; W766-L776 WeakPolarHBondContact O-CA 3.35Å; W766-I777 PolarHBondContact N-O 2.87Å; W766-I777 PolarHBondContact O-N 3.29Å; W766-H779 AromaticContact CD1-CG 4Å; W766-H779 AromaticContact CD1-ND1 3.91Å; W766-H779 AromaticContact NE1-CE1 3.87Å; W766-H779 AromaticContact NE1-CG 3.47Å; W766-H779 AromaticContact NE1-ND1 3.19Å; W766-H779 PolarHBondContact NE1-ND1 3.28Å; W766-H779 VanDerWaalsContact NE1-ND1 3.19Å |
| 767 | E | 92.2 | Very high | 88 | Confident | 100 Ų | 100 | 67.3 Ų | 67.3 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.2 | 157.8 | -79.3 | 179 | -171.4 | 0 | 0 | 109.3 | Y758 Q759 A761 L776 | Y758-E767 PolarHBondContact N-O 3.27Å; Q759-E767 PolarHBondContact N-O 3Å; Q759-E767 PolarHBondContact O-N 3.12Å; A761-E767 HydrophobicContact CB-CG 4.11Å; E767-L776 HydrophobicContact CG-CD2 3.66Å |
| 768 | G | 91.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | -175.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L747 L756 D774 G775 | L747-G768 WeakPolarHBondContact CD1-O 3.26Å; L756-G768 CarbonylContact O-C 3.52Å; L756-G768 WeakPolarHBondContact O-CA 3.43Å; G768-D774 CarbonylContact O-C 3.5Å; G768-D774 WeakPolarHBondContact O-CA 3.41Å; G768-G775 PolarHBondContact N-O 3.1Å; G768-G775 PolarHBondContact O-N 3.44Å; G768-G775 VanDerWaalsContact O-O 3.07Å |
| 769 | R | 91.4 | Very high | 88.4 | Confident | 101 Ų | 101 | 67 Ų | 67 | 38% | 0.381 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.9 | -174.6 | -172.5 | 169 | -75.7 | 162.5 | 4.7 | 111.5 | L756 Y758 I773 D774 | L756-R769 HydrophobicContact CB-CB 4.43Å; L756-R769 PolarHBondContact N-O 3.46Å; L756-R769 VanDerWaalsContact N-O 3.11Å; L756-R769 PolarHBondContact O-N 3.48Å; Y758-R769 HydrophobicContact CE2-CB 3.85Å; Y758-R769 WeakPolarHBondContact OH-CB 3.46Å; Y758-R769 WeakPolarHBondContact OH-CD 3.41Å; Y758-R769 PolarHBondContact OH-NE 2.88Å; Y758-R769 PolarHBondContact OH-NH1 3.3Å; R769-I773 WeakPolarHBondContact CA-O 3.36Å; R769-D774 WeakPolarHBondContact CB-OD1 3.31Å; R769-D774 WeakPolarHBondContact CG-OD1 3.37Å; R769-D774 IonicContact CZ-OD1 2.66Å; R769-D774 VanDerWaalsContact CZ-OD1 3.29Å; R769-D774 IonicContact CZ-OD2 3.96Å; R769-D774 IonicContact NE-OD1 2.69Å; R769-D774 PolarHBondContact NE-OD1 3.24Å; R769-D774 IonicContact NE-OD2 3.98Å; R769-D774 VanDerWaalsContact NH2-CG 3.32Å; R769-D774 IonicContact NH2-OD1 2.66Å; R769-D774 PolarHBondContact NH2-OD1 3.48Å; R769-D774 VanDerWaalsContact NH2-OD1 3.11Å; R769-D774 IonicContact NH2-OD2 3.5Å; R769-D774 PolarHBondContact NH2-OD2 3.43Å |
| 770 | H | 91.5 | Very high | 88.7 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 10% | 0.102 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 127 | 168.9 | 179.5 | -128.4 | 0 | 0 | 0 | 109.2 | L747 S748 L755 G772 I773 | L747-H770 HydrophobicContact CB-CB 4.45Å; L747-H770 HydrophobicContact CD1-CB 3.98Å; S748-H770 PolarHBondContact O-CE1 3.31Å; S748-H770 VanDerWaalsContact O-CE1 3.25Å; S748-H770 PolarHBondContact O-ND1 3.22Å; L755-H770 HydrophobicContact CD2-CB 3.64Å; L755-H770 VanDerWaalsContact CD2-CD2 3.48Å; L755-H770 WeakPolarHBondContact CD2-CD2 3.34Å; H770-G772 PolarHBondContact O-N 2.99Å; H770-G772 VanDerWaalsContact O-N 3.08Å; H770-I773 PolarHBondContact N-O 3.47Å; H770-I773 PolarHBondContact O-N 2.87Å |
| 771 | N | 85.3 | Confident | 88.9 | Confident | 145 Ų | 145 | 65.1 Ų | 65.1 | 78% | 0.775 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 32.7 | -179.1 | -63.6 | -30.2 | 0 | 0 | 0 | 115 | ||
| 772 | G | 80.5 | Confident | 89.6 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 63% | 0.629 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 6.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | H770 | H770-G772 PolarHBondContact O-N 2.99Å; H770-G772 VanDerWaalsContact O-N 3.08Å |
| 773 | I | 85.8 | Confident | 89.9 | Confident | 111 Ų | 111 | 64.3 Ų | 64.3 | 57% | 0.569 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.2 | 174.9 | -52.2 | 177.6 | 0 | 0 | 0 | 108.7 | L747 R769 H770 | L747-I773 WeakPolarHBondContact CD1-O 3.49Å; L747-I773 HydrophobicContact CD2-CB 4.1Å; L747-I773 HydrophobicContact CD2-CG2 3.82Å; R769-I773 WeakPolarHBondContact CA-O 3.36Å; H770-I773 PolarHBondContact N-O 3.47Å; H770-I773 PolarHBondContact O-N 2.87Å |
| 774 | D | 91.3 | Very high | 90.4 | Very high | 85 Ų | 85 | 60.4 Ų | 60.4 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 146.8 | 177.6 | -62.9 | -40 | 0 | 0 | 0 | 111.9 | G768 R769 | G768-D774 CarbonylContact O-C 3.5Å; G768-D774 WeakPolarHBondContact O-CA 3.41Å; R769-D774 WeakPolarHBondContact CB-OD1 3.31Å; R769-D774 WeakPolarHBondContact CG-OD1 3.37Å; R769-D774 IonicContact CZ-OD1 2.66Å; R769-D774 VanDerWaalsContact CZ-OD1 3.29Å; R769-D774 IonicContact CZ-OD2 3.96Å; R769-D774 IonicContact NE-OD1 2.69Å; R769-D774 PolarHBondContact NE-OD1 3.24Å; R769-D774 IonicContact NE-OD2 3.98Å; R769-D774 VanDerWaalsContact NH2-CG 3.32Å; R769-D774 IonicContact NH2-OD1 2.66Å; R769-D774 PolarHBondContact NH2-OD1 3.48Å; R769-D774 VanDerWaalsContact NH2-OD1 3.11Å; R769-D774 IonicContact NH2-OD2 3.5Å; R769-D774 PolarHBondContact NH2-OD2 3.43Å |
| 775 | G | 90.9 | Very high | 89.8 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 17% | 0.165 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165 | -166.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R745 G768 | R745-G775 CarbonylContact O-C 3.39Å; R745-G775 WeakPolarHBondContact O-CA 3.35Å; G768-G775 PolarHBondContact N-O 3.1Å; G768-G775 PolarHBondContact O-N 3.44Å; G768-G775 VanDerWaalsContact O-O 3.07Å |
| 776 | L | 93 | Very high | 88 | Confident | 41 Ų | 41 | 65 Ų | 65 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.7 | -173.7 | -64.9 | 172.6 | 0 | 0 | 0 | 112.2 | R745 L747 A761 W765 W766 E767 | R745-L776 HydrophobicContact CB-CD1 4.4Å; R745-L776 PolarHBondContact O-N 3.24Å; L747-L776 PolarHBondContact N-O 3.43Å; A761-L776 HydrophobicContact CB-CD2 4.03Å; W765-L776 HydrophobicContact CE3-CB 3.78Å; W765-L776 HydrophobicContact CZ3-CB 4.13Å; W766-L776 CarbonylContact O-C 3.36Å; W766-L776 WeakPolarHBondContact O-CA 3.35Å; E767-L776 HydrophobicContact CG-CD2 3.66Å |
| 777 | I | 93.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 118.4 | -177.3 | -61.9 | 176.1 | 0 | 0 | 0 | 107.9 | L747 F749 L755 L757 W766 H779 I782 | L747-I777 HydrophobicContact CB-CG1 4.26Å; L747-I777 HydrophobicContact CD1-CD1 3.99Å; L747-I777 HydrophobicContact CD1-CG1 3.86Å; L747-I777 HydrophobicContact CG-CG1 4.5Å; F749-I777 HydrophobicContact CE1-CB 4.46Å; F749-I777 HydrophobicContact CE1-CG1 4.48Å; F749-I777 HydrophobicContact CE1-CG2 3.83Å; F749-I777 HydrophobicContact CZ-CG2 4.06Å; L755-I777 HydrophobicContact CB-CD1 4.22Å; L755-I777 HydrophobicContact CD1-CG2 3.99Å; L755-I777 HydrophobicContact CD2-CD1 4.3Å; L757-I777 HydrophobicContact CD2-CB 4.48Å; L757-I777 HydrophobicContact CD2-CD1 3.84Å; L757-I777 HydrophobicContact CD2-CG2 4.28Å; W766-I777 PolarHBondContact N-O 2.87Å; W766-I777 PolarHBondContact O-N 3.29Å; I777-H779 PolarHBondContact O-N 3.24Å; I777-I782 HydrophobicContact CG2-CD1 4.05Å; I777-I782 HydrophobicContact CG2-CG2 3.62Å |
| 778 | P | 93.8 | Very high | 83 | Confident | 7 Ų | 7 | 74.2 Ų | 74.2 | 5% | 0.045 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 124.7 | -175.8 | 24.3 | -27.2 | 0 | 0 | 0 | 111.9 | Y739 F749 D764 W765 Q780 Y781 | Y739-P778 HydrophobicContact CD1-CG 3.83Å; Y739-P778 HydrophobicContact CD2-CG 3.79Å; Y739-P778 HydrophobicContact CE1-CG 3.77Å; Y739-P778 HydrophobicContact CE2-CG 3.72Å; Y739-P778 HydrophobicContact CG-CG 3.85Å; F749-P778 HydrophobicContact CZ-CG 4.41Å; D764-P778 CarbonylContact O-C 3.51Å; D764-P778 WeakPolarHBondContact O-CA 3.45Å; W765-P778 HydrophobicContact CD2-CB 4.28Å; W765-P778 HydrophobicContact CE3-CB 3.83Å; W765-P778 HydrophobicContact CE3-CG 4.36Å; W765-P778 HydrophobicContact CH2-CB 4.09Å; W765-P778 HydrophobicContact CH2-CG 4.32Å; W765-P778 HydrophobicContact CZ2-CB 4.46Å; W765-P778 HydrophobicContact CZ3-CB 3.75Å; W765-P778 HydrophobicContact CZ3-CG 3.89Å; P778-Q780 VanDerWaalsContact C-N 3.3Å; P778-Q780 PolarHBondContact O-N 3.48Å; P778-Y781 HydrophobicContact CB-CD2 4.06Å; P778-Y781 HydrophobicContact CG-CD2 3.96Å; P778-Y781 HydrophobicContact CG-CG 4.14Å; P778-Y781 PolarHBondContact O-N 3.26Å |
| 779 | H | 92.4 | Very high | 80.3 | Confident | 65 Ų | 65 | 82.3 Ų | 82.3 | 30% | 0.301 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -56.8 | -39.6 | -172.8 | -175.8 | 34.7 | 0 | 0 | 0 | 112.9 | D763 D764 W766 I777 Y781 I782 | D763-H779 PolarHBondContact O-CD2 2.86Å; D764-H779 PolarHBondContact O-N 2.92Å; W766-H779 AromaticContact CD1-CG 4Å; W766-H779 AromaticContact CD1-ND1 3.91Å; W766-H779 AromaticContact NE1-CE1 3.87Å; W766-H779 AromaticContact NE1-CG 3.47Å; W766-H779 AromaticContact NE1-ND1 3.19Å; W766-H779 PolarHBondContact NE1-ND1 3.28Å; W766-H779 VanDerWaalsContact NE1-ND1 3.19Å; I777-H779 PolarHBondContact O-N 3.24Å; H779-Y781 PolarHBondContact O-N 2.91Å; H779-Y781 VanDerWaalsContact O-N 3.15Å; H779-I782 VanDerWaalsContact O-CG1 3.29Å; H779-I782 WeakPolarHBondContact O-CG1 3.4Å; H779-I782 PolarHBondContact O-N 3.28Å |
| 780 | Q | 91.5 | Very high | 77.2 | Confident | 129 Ų | 129 | 80.5 Ų | 80.5 | 60% | 0.603 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -65.6 | -17.1 | -179.7 | -54.5 | -171.7 | 18.8 | 0 | 0 | 114 | D764 P778 | D764-Q780 PolarHBondContact OD1-NE2 2.97Å; P778-Q780 VanDerWaalsContact C-N 3.3Å; P778-Q780 PolarHBondContact O-N 3.48Å |
| 781 | Y | 91.3 | Very high | 74.2 | Confident | 83 Ų | 83 | 86.2 Ų | 86.2 | 33% | 0.325 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -97.4 | -2.5 | -176.8 | -76 | -107.8 | 0 | 0 | 0 | 113.6 | K736 F737 Y739 P778 H779 | K736-Y781 VanDerWaalsContact CB-O 3.31Å; K736-Y781 WeakPolarHBondContact CB-O 3.47Å; K736-Y781 PolarHBondContact N-O 3.29Å; F737-Y781 HydrophobicContact CB-CD1 3.86Å; F737-Y781 HydrophobicContact CB-CE1 4.3Å; F737-Y781 HydrophobicContact CD2-CD1 4.44Å; F737-Y781 PolarHBondContact N-O 3.26Å; Y739-Y781 AromaticContact CD2-CD1 3.6Å; Y739-Y781 HydrophobicContact CD2-CD1 3.6Å; Y739-Y781 HydrophobicContact CD2-CD2 4.22Å; Y739-Y781 AromaticContact CD2-CE1 3.67Å; Y739-Y781 HydrophobicContact CD2-CE1 3.67Å; Y739-Y781 HydrophobicContact CD2-CE2 4.29Å; Y739-Y781 AromaticContact CD2-CG 3.91Å; Y739-Y781 HydrophobicContact CD2-CG 3.91Å; Y739-Y781 HydrophobicContact CE2-CE1 4.34Å; Y739-Y781 HydrophobicContact CE2-CE2 4.33Å; Y739-Y781 HydrophobicContact CG-CD1 4.28Å; P778-Y781 HydrophobicContact CB-CD2 4.06Å; P778-Y781 HydrophobicContact CG-CD2 3.96Å; P778-Y781 HydrophobicContact CG-CG 4.14Å; P778-Y781 PolarHBondContact O-N 3.26Å; H779-Y781 PolarHBondContact O-N 2.91Å; H779-Y781 VanDerWaalsContact O-N 3.15Å |
| 782 | I | 92.6 | Very high | 71.7 | Confident | 10 Ų | 10 | 85 Ų | 85 | 5% | 0.051 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 169.2 | -176.7 | 64.3 | 173.5 | 0 | 0 | 0 | 111.8 | A733 I734 F749 L755 L757 I777 H779 | A733-I782 HydrophobicContact CB-CB 4.47Å; A733-I782 HydrophobicContact CB-CD1 4.15Å; I734-I782 CarbonylContact O-C 3.57Å; I734-I782 WeakPolarHBondContact O-CA 3.31Å; F749-I782 HydrophobicContact CE2-CG2 4.32Å; F749-I782 HydrophobicContact CZ-CG2 4.08Å; L755-I782 HydrophobicContact CD1-CG2 3.44Å; L755-I782 VanDerWaalsContact CD1-CG2 3.44Å; L757-I782 HydrophobicContact CD1-CD1 3.7Å; L757-I782 HydrophobicContact CD2-CD1 3.97Å; L757-I782 HydrophobicContact CG-CD1 4.47Å; I777-I782 HydrophobicContact CG2-CD1 4.05Å; I777-I782 HydrophobicContact CG2-CG2 3.62Å; H779-I782 VanDerWaalsContact O-CG1 3.29Å; H779-I782 WeakPolarHBondContact O-CG1 3.4Å; H779-I782 PolarHBondContact O-N 3.28Å |
| 783 | V | 90.3 | Very high | 69.2 | Low | 77 Ų | 77 | 88.9 Ų | 88.9 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 117.6 | 165.1 | 176.9 | 0 | 0 | 0 | 0 | 106.7 | A733 I734 K736 | A733-V783 CarbonylContact C-O 3.5Å; A733-V783 VanDerWaalsContact CA-O 3.27Å; A733-V783 WeakPolarHBondContact CA-O 3.34Å; A733-V783 WeakPolarHBondContact CB-O 3.43Å; I734-V783 PolarHBondContact N-O 3Å; I734-V783 PolarHBondContact O-N 3.21Å; K736-V783 HydrophobicContact CB-CG2 4.22Å; K736-V783 HydrophobicContact CD-CG2 3.97Å; K736-V783 HydrophobicContact CG-CG2 4.25Å |
| 784 | V | 86.4 | Confident | 66.5 | Low | 38 Ų | 38 | 93.7 Ų | 93.7 | 23% | 0.23 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 139.2 | 169.4 | 169.6 | 0 | 0 | 0 | 0 | 108.7 | I731 A733 L757 | I731-V784 HydrophobicContact CG2-CG1 3.52Å; I731-V784 HydrophobicContact CG2-CG2 4.36Å; A733-V784 HydrophobicContact CB-CG2 4.4Å; L757-V784 HydrophobicContact CD1-CG2 3.9Å |
| 785 | Q | 75.4 | Confident | 63.3 | Low | 105 Ų | 105 | 94.8 Ų | 94.8 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | trans | -92.1 | 105.7 | 168.3 | -66.2 | -161 | -19.2 | 0 | 0 | 109 | E732 I734 T787 | E732-Q785 PolarHBondContact O-N 3.16Å; I734-Q785 VanDerWaalsContact CD1-NE2 3.25Å; Q785-T787 PolarHBondContact O-N 3.05Å | ||
| 786 | D | 53.8 | Low | 60.2 | Low | 139 Ų | 139 | 99.5 Ų | 99.5 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | trans | -65.7 | 122.4 | 172.7 | -61.5 | -42.1 | 0 | 0 | 0 | 109.5 | E788 | D786-E788 PolarHBondContact O-N 3.35Š| ||
| 787 | T | 44.1 | Very low | 57.6 | Low | 141 Ų | 141 | 103.2 Ų | 103.2 | 87% | 0.865 | 57% | 0.567 | S | S | * | * | trans | -79.2 | 94 | 175.3 | 33 | 0 | 0 | 0 | 0 | 110.5 | Q785 D789 | Q785-T787 PolarHBondContact O-N 3.05Å; T787-D789 PolarHBondContact O-N 3.01Å | ||
| 788 | E | 35.6 | Very low | 54.3 | Low | 181 Ų | 181 | 112.2 Ų | 112.2 | 85% | 0.846 | 61% | 0.606 | S | S | * | * | trans | -71.4 | 102.2 | 178.9 | -66.5 | -173.2 | -179.6 | 0 | 0 | 113.1 | D786 | D786-E788 PolarHBondContact O-N 3.35Š| ||
| 789 | D | 35.4 | Very low | 51.1 | Low | 172 Ų | 172 | 116 Ų | 116 | 92% | 0.92 | 63% | 0.633 | S | S | * | * | trans | 179.4 | 120.1 | 145.1 | -102 | -26 | 0 | 0 | 0 | 110.7 | T787 | T787-D789 PolarHBondContact O-N 3.01Š| ||
| 790 | G | 27.6 | Very low | 47.9 | Very low | 62 Ų | 62 | 120.3 Ų | 120.3 | 64% | 0.639 | 65% | 0.653 | S | S | * | * | cis | 166.9 | 151.3 | -11.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 791 | V | 28.6 | Very low | 44.8 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 86% | 0.861 | 66% | 0.657 | S | S | * | * | trans | 67.8 | 125 | 152.9 | 178.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 792 | V | 30.8 | Very low | 41.8 | Very low | 120 Ų | 120 | 124 Ų | 124 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | cis | -144.5 | 124.9 | 46.7 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 793 | E | 29.9 | Very low | 38.8 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | 50.2 | 130.8 | 96.6 | -118.5 | -164.9 | -155.9 | 0 | 0 | 114.8 | |||||
| 794 | R | 28 | Very low | 35.7 | Very low | 211 Ų | 211 | 132.5 Ų | 132.5 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | cis | -156.9 | 168 | 34.3 | -71.9 | 178.7 | 178.3 | -159 | -14.1 | 109.6 | ||||
| 795 | S | 23.8 | Very low | 32.9 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | cis | -155.8 | 147.4 | 10.6 | 41 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 796 | S | 26.9 | Very low | 30.6 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -98 | 170.8 | 151.2 | -45.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 797 | P | 37.3 | Very low | 29.7 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | -147.9 | 157.3 | 83.8 | 39.3 | -22.6 | 0 | 0 | 0 | 116.7 | |||||
| 798 | K | 24.2 | Very low | 29.3 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | 35.3 | 118.2 | 142.7 | -71 | -173.5 | 172.7 | -171.1 | 0 | 119.5 | ||||
| 799 | S | 26.3 | Very low | 28.9 | Very low | 88 Ų | 88 | 136.2 Ų | 136.2 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | 71 | 144.6 | 85.8 | 91.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 800 | E | 24.9 | Very low | 28.6 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | cis | -167.2 | 177.7 | 26.8 | -136.9 | 148.3 | -107.9 | 0 | 0 | 109.8 | ||||
| 801 | I | 27.6 | Very low | 28.8 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 68% | 0.677 | 76% | 0.757 | S | S | * | * | trans | 69.9 | 138.1 | 150.9 | -72.6 | 161.2 | 0 | 0 | 0 | 117.8 | ||||
| 802 | E | 29 | Very low | 28.6 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -160.5 | 139.6 | -8.2 | -112.1 | 174 | -179.3 | 0 | 0 | 109.8 | ||||
| 803 | V | 27.9 | Very low | 28.4 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | 68.6 | 130 | 103.6 | 174.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 804 | I | 26.3 | Very low | 28.2 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | -152.3 | 130 | 69.9 | -67.5 | 168.8 | 0 | 0 | 0 | 106.9 | |||||
| 805 | S | 26.4 | Very low | 28.2 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | 75.5 | 153.1 | 58.4 | -57.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 806 | E | 27.5 | Very low | 28.3 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | cis | -151.7 | -166.6 | 5.6 | -126.2 | -163.9 | 177.7 | 0 | 0 | 107 | ||||
| 807 | P | 35 | Very low | 28.1 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -125.4 | 167.5 | 3.4 | 42 | -26.6 | 0 | 0 | 0 | 116.2 | ||||
| 808 | P | 35.8 | Very low | 27.6 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 171.8 | 173.7 | 38.7 | -35.4 | 0 | 0 | 0 | 114.3 | ||
| 809 | E | 27.7 | Very low | 27.5 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 130.1 | 172.9 | -58.8 | -176.8 | 129.8 | 0 | 0 | 112.5 | ||
| 810 | E | 27.8 | Very low | 27.3 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 121.5 | 175.9 | -157.8 | -177.2 | -144.9 | 0 | 0 | 113.1 | V812 | E810-V812 PolarHBondContact O-N 2.73Š|
| 811 | K | 32.6 | Very low | 28 | Very low | 197 Ų | 197 | 135.8 Ų | 135.8 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -79.8 | 81.6 | 179 | -172 | 176.3 | -175.6 | 171 | 0 | 111 | T813 | K811-T813 PolarHBondContact O-N 3.19Š| ||
| 812 | V | 25.5 | Very low | 28 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | -53.5 | 118.4 | -173.2 | -179.9 | 0 | 0 | 0 | 0 | 112.5 | E810 | E810-V812 PolarHBondContact O-N 2.73Š| ||
| 813 | T | 25.2 | Very low | 27.9 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | -88.6 | 138.5 | 171.6 | 43.3 | 0 | 0 | 0 | 0 | 110.6 | K811 R815 | K811-T813 PolarHBondContact O-N 3.19Å; T813-R815 PolarHBondContact O-N 3.31Å; T813-R815 VanDerWaalsContact O-N 3.17Å | ||
| 814 | A | 25.7 | Very low | 28 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -67.8 | 113.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 815 | R | 28.1 | Very low | 28.6 | Very low | 248 Ų | 248 | 129.5 Ų | 129.5 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -89.5 | 112.2 | -177.4 | -154.5 | 177.9 | -161 | 159.9 | 5.6 | 110.3 | T813 | T813-R815 PolarHBondContact O-N 3.31Å; T813-R815 VanDerWaalsContact O-N 3.17Å | ||
| 816 | A | 26.4 | Very low | 29.3 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -75.1 | 142.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 817 | G | 23.2 | Very low | 29.9 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | -169.7 | 105.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 818 | A | 25.7 | Very low | 30.2 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 88% | 0.884 | 77% | 0.77 | S | S | * | * | trans | 63.8 | 135.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 819 | S | 23.4 | Very low | 30.6 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | cis | -158.2 | 153.4 | 27.6 | 54.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 820 | C | 22.4 | Very low | 31.1 | Very low | 124 Ų | 124 | 119 Ų | 119 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | 67.4 | 158.1 | 158.3 | -66.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 821 | P | 37.9 | Very low | 32 | Very low | 117 Ų | 117 | 115.7 Ų | 115.7 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | trans | -128.4 | 147.7 | -152.7 | 39.3 | -23.1 | 0 | 0 | 0 | 116.9 | ||||
| 822 | S | 27.9 | Very low | 32.4 | Very low | 133 Ų | 133 | 108.6 Ų | 108.6 | 93% | 0.93 | 70% | 0.703 | S | S | * | * | trans | -169.3 | 161.2 | 153.4 | -89.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 823 | G | 26.4 | Very low | 32.9 | Very low | 67 Ų | 67 | 106.8 Ų | 106.8 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | trans | 90.2 | 76.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 824 | G | 29.9 | Very low | 33.8 | Very low | 77 Ų | 77 | 106.1 Ų | 106.1 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -74.7 | 127.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111 | V826 | G824-V826 PolarHBondContact O-N 2.92Š| ||
| 825 | H | 40.3 | Very low | 34.4 | Very low | 147 Ų | 147 | 107.2 Ų | 107.2 | 68% | 0.681 | 67% | 0.67 | S | S | * | * | trans | -68.7 | 119.7 | -177.3 | -86.6 | -106.5 | 0 | 0 | 0 | 112.5 | A827 | H825-A827 PolarHBondContact O-N 3.45Š| ||
| 826 | V | 41 | Very low | 34.7 | Very low | 104 Ų | 104 | 102.7 Ų | 102.7 | 63% | 0.63 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.1 | -25.1 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | G824 D828 I829 Y830 | G824-V826 PolarHBondContact O-N 2.92Å; V826-D828 PolarHBondContact O-N 3.36Å; V826-I829 PolarHBondContact O-N 2.87Å; V826-Y830 PolarHBondContact O-N 3.21Å |
| 827 | A | 40 | Very low | 35.1 | Very low | 41 Ų | 41 | 105.8 Ų | 105.8 | 34% | 0.339 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -58 | -46.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I269 H825 I829 Y830 L831 | I269-A827 HydrophobicContact CD1-CB 4.22Å; H825-A827 PolarHBondContact O-N 3.45Å; A827-I829 VanDerWaalsContact C-N 3.29Å; A827-I829 PolarHBondContact O-N 2.99Å; A827-Y830 WeakPolarHBondContact O-CB 3.38Å; A827-Y830 PolarHBondContact O-N 3.41Å; A827-Y830 VanDerWaalsContact O-N 3.09Å; A827-L831 PolarHBondContact O-N 3.28Å |
| 828 | D | 41.4 | Very low | 35.9 | Very low | 112 Ų | 112 | 113.3 Ų | 113.3 | 60% | 0.599 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.6 | -36.8 | -177.2 | -60 | -44.7 | 0 | 0 | 0 | 112.1 | V826 Y830 L831 A832 | V826-D828 PolarHBondContact O-N 3.36Å; D828-Y830 VanDerWaalsContact C-N 3.31Å; D828-Y830 PolarHBondContact O-N 3.5Å; D828-L831 PolarHBondContact O-N 2.77Å; D828-A832 WeakPolarHBondContact O-CB 3.48Å; D828-A832 PolarHBondContact O-N 3.19Å |
| 829 | I | 43.4 | Very low | 36.5 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.6 | -36.1 | 177.2 | -57.5 | 177.4 | 0 | 0 | 0 | 110.5 | V826 A827 N833 | V826-I829 PolarHBondContact O-N 2.87Å; A827-I829 VanDerWaalsContact C-N 3.29Å; A827-I829 PolarHBondContact O-N 2.99Å; I829-N833 PolarHBondContact O-ND2 2.87Å |
| 830 | Y | 38.8 | Very low | 36.9 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 35% | 0.349 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -69.4 | -48.9 | 177.4 | -140.6 | -93.7 | 0 | 0 | 0 | 111.1 | N261 F265 V826 A827 D828 A832 N833 I834 | N261-Y830 PolarHBondContact OD1-OH 3.3Å; F265-Y830 HydrophobicContact CD2-CD1 4.27Å; F265-Y830 HydrophobicContact CD2-CE1 4.45Å; V826-Y830 PolarHBondContact O-N 3.21Å; A827-Y830 WeakPolarHBondContact O-CB 3.38Å; A827-Y830 PolarHBondContact O-N 3.41Å; A827-Y830 VanDerWaalsContact O-N 3.09Å; D828-Y830 VanDerWaalsContact C-N 3.31Å; D828-Y830 PolarHBondContact O-N 3.5Å; Y830-A832 VanDerWaalsContact C-N 3.34Å; Y830-A832 PolarHBondContact O-N 3.31Å; Y830-N833 PolarHBondContact O-N 2.79Å; Y830-I834 HydrophobicContact CD1-CD1 4.4Å |
| 831 | L | 47.3 | Very low | 37.9 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 56% | 0.56 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.1 | -36.8 | -179.1 | -141.9 | 72 | 0 | 0 | 0 | 112.5 | A827 D828 N833 N835 | A827-L831 PolarHBondContact O-N 3.28Å; D828-L831 PolarHBondContact O-N 2.77Å; L831-N833 PolarHBondContact O-N 3.21Å; L831-N835 PolarHBondContact O-ND2 3.28Å |
| 832 | A | 40.7 | Very low | 37.5 | Very low | 47 Ų | 47 | 125 Ų | 125 | 39% | 0.388 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -71 | -11.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D828 Y830 K836 | D828-A832 WeakPolarHBondContact O-CB 3.48Å; D828-A832 PolarHBondContact O-N 3.19Å; Y830-A832 VanDerWaalsContact C-N 3.34Å; Y830-A832 PolarHBondContact O-N 3.31Å; A832-K836 WeakPolarHBondContact O-CD 3.48Å; A832-K836 WeakPolarHBondContact O-CE 3.32Å; A832-K836 PolarHBondContact O-NZ 2.94Å; A832-K836 VanDerWaalsContact O-NZ 3.11Å |
| 833 | N | 35.9 | Very low | 37.6 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 49% | 0.492 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -96.4 | -37.3 | -179.7 | -79.6 | -38 | 0 | 0 | 0 | 113.2 | I829 Y830 L831 N835 K836 | I829-N833 PolarHBondContact O-ND2 2.87Å; Y830-N833 PolarHBondContact O-N 2.79Å; L831-N833 PolarHBondContact O-N 3.21Å; N833-N835 VanDerWaalsContact C-N 3.34Å; N833-N835 PolarHBondContact O-N 3.43Å; N833-K836 PolarHBondContact O-N 2.93Å |
| 834 | I | 43.6 | Very low | 37.6 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 56% | 0.559 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -61.2 | -43.8 | 178.8 | -64.6 | 174.8 | 0 | 0 | 0 | 110.9 | Y830 K836 Q837 | Y830-I834 HydrophobicContact CD1-CD1 4.4Å; I834-K836 PolarHBondContact O-N 3.09Å; I834-Q837 PolarHBondContact O-N 2.63Å |
| 835 | N | 38.2 | Very low | 37.5 | Very low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -8.3 | -177.2 | -77.3 | -43.1 | 0 | 0 | 0 | 115.2 | L831 N833 | L831-N835 PolarHBondContact O-ND2 3.28Å; N833-N835 VanDerWaalsContact C-N 3.34Å; N833-N835 PolarHBondContact O-N 3.43Å |
| 836 | K | 35.9 | Very low | 37 | Very low | 153 Ų | 153 | 126 Ų | 126 | 67% | 0.665 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -9.8 | -179.7 | -69.2 | 170.8 | -175.9 | 150.8 | 0 | 114.4 | A832 N833 I834 | A832-K836 WeakPolarHBondContact O-CD 3.48Å; A832-K836 WeakPolarHBondContact O-CE 3.32Å; A832-K836 PolarHBondContact O-NZ 2.94Å; A832-K836 VanDerWaalsContact O-NZ 3.11Å; N833-K836 PolarHBondContact O-N 2.93Å; I834-K836 PolarHBondContact O-N 3.09Å |
| 837 | Q | 33.6 | Very low | 36.4 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -92 | -6.1 | -174.3 | -77.4 | -73.2 | -3.7 | 0 | 0 | 115.6 | I834 | I834-Q837 PolarHBondContact O-N 2.63Š|
| 838 | R | 39.3 | Very low | 35.9 | Very low | 230 Ų | 230 | 140.2 Ų | 140.2 | 87% | 0.868 | 69% | 0.694 | S | S | * | * | trans | -119.6 | 86 | -178.8 | -75.6 | -175 | 173.2 | 178.1 | -0.6 | 113.2 | ||||
| 839 | K | 38.7 | Very low | 35.1 | Very low | 207 Ų | 207 | 140.6 Ų | 140.6 | 90% | 0.9 | 70% | 0.701 | S | S | * | * | trans | -174.2 | 106.4 | 157.4 | -109 | 162 | -174.3 | 177.5 | 0 | 113.5 | ||||
| 840 | R | 33 | Very low | 34.2 | Very low | 239 Ų | 239 | 144.4 Ų | 144.4 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | trans | -167.4 | 163.2 | 146.9 | -113.3 | -155.8 | 161.3 | -167.7 | -7.9 | 111 | ||||
| 841 | P | 42.3 | Very low | 33.6 | Very low | 83 Ų | 83 | 151.2 Ų | 151.2 | 54% | 0.539 | 74% | 0.739 | S | S | . | * | -137.8 | -173.2 | -108.7 | 44.7 | -27.2 | 0 | 0 | 0 | 115.6 | |||||
| 842 | E | 30.3 | Very low | 32.6 | Very low | 171 Ų | 171 | 151 Ų | 151 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | 68.2 | 158.9 | 153.9 | -75.1 | 157.7 | -126.6 | 0 | 0 | 119.1 | ||||
| 843 | S | 30.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 155.6 Ų | 155.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | cis | -172.5 | 141.3 | -41.4 | -105.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 844 | G | 26.5 | Very low | 31.4 | Very low | 76 Ų | 76 | 155.3 Ų | 155.3 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | 105.3 | 155.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 845 | S | 27.8 | Very low | 30.7 | Very low | 102 Ų | 102 | 159.3 Ų | 159.3 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | cis | -169.8 | 154.1 | -14.8 | -158.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 846 | I | 29.6 | Very low | 30 | Very low | 148 Ų | 148 | 156.1 Ų | 156.1 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | 61.7 | 111.9 | 160.8 | -63.4 | 149.7 | 0 | 0 | 0 | 115.2 | ||||
| 847 | R | 27.9 | Very low | 29.6 | Very low | 243 Ų | 243 | 157.2 Ų | 157.2 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | -144.3 | 155.1 | 63.1 | -74.7 | -174.1 | 172.3 | 173.5 | -1.6 | 114.1 | |||||
| 848 | K | 28.6 | Very low | 29.4 | Very low | 200 Ų | 200 | 154.2 Ų | 154.2 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -86.4 | 148.6 | 169.5 | -64.7 | 178 | 175 | -175.8 | 0 | 111.1 | ||||
| 849 | T | 25.2 | Very low | 28.8 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | -171 | 120.6 | 128.5 | 27.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 850 | F | 24.1 | Very low | 28.1 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 45.1 | 132.2 | 153.3 | -60.5 | -73.3 | 0 | 0 | 0 | 120.3 | ||||
| 851 | R | 27.6 | Very low | 27.8 | Very low | 231 Ų | 231 | 138.4 Ų | 138.4 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | cis | -137.3 | 171.6 | 12.1 | -67 | -172.6 | 171.5 | -160.4 | -3.4 | 112 | ||||
| 852 | S | 26.4 | Very low | 27 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -37.8 | 135.8 | 170.7 | -62.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 853 | D | 24.4 | Very low | 26.8 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | 81.9 | 82 | 58.6 | -66 | -48 | 0 | 0 | 0 | 113.9 | |||||
| 854 | S | 26.7 | Very low | 26.5 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | 44.1 | 114.2 | 98.8 | -47.8 | 0 | 0 | 0 | 0 | 120 | |||||
| 855 | H | 28.6 | Very low | 26.4 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | 66.4 | 140.3 | 153.9 | -44.7 | -56 | 0 | 0 | 0 | 118.1 | ||||
| 856 | G | 24 | Very low | 26.9 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | cis | 164 | -174.4 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 857 | L | 26.8 | Very low | 27.2 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | 69.1 | 116.4 | 171.6 | -62.4 | 171.9 | 0 | 0 | 0 | 119.3 | ||||
| 858 | S | 28.7 | Very low | 27.1 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | 74.7 | 142.6 | 133.4 | -150.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 859 | S | 27.4 | Very low | 26.9 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | 55.8 | 161.2 | 176.5 | 62 | 0 | 0 | 0 | 0 | 116 | ||||
| 860 | S | 23.8 | Very low | 27 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | -140 | -176.2 | 13.6 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 861 | L | 27 | Very low | 27.1 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 60% | 0.597 | 77% | 0.773 | S | S | * | * | trans | -47.4 | 178.3 | 174.4 | -61.7 | 161.9 | 0 | 0 | 0 | 116.2 | ||||
| 862 | T | 26.1 | Very low | 27.1 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 79 | 147.7 | 165.1 | 70.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 863 | D | 24.4 | Very low | 27 | Very low | 114 Ų | 114 | 116.2 Ų | 116.2 | 61% | 0.61 | 77% | 0.77 | S | S | * | * | cis | -161.4 | 178.5 | -30.3 | -174.2 | 36.6 | 0 | 0 | 0 | 108.8 | ||||
| 864 | S | 25.3 | Very low | 27.2 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | trans | 26.7 | 110 | 149.7 | 51.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 865 | S | 24.3 | Very low | 27.8 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -176.1 | 122.4 | 111 | 35.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 866 | S | 38.7 | Very low | 27.7 | Very low | 122 Ų | 122 | 118.8 Ų | 118.8 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -87.6 | 149.8 | 141.7 | -66.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 867 | P | 35.8 | Very low | 28 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | -142.8 | 174.9 | 115.5 | 39.2 | -28.1 | 0 | 0 | 0 | 112.4 | |||||
| 868 | G | 24.7 | Very low | 28.1 | Very low | 71 Ų | 71 | 120.4 Ų | 120.4 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 116.1 | 70.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116 | G870 | G868-G870 PolarHBondContact O-N 3.21Š| ||
| 869 | V | 26 | Very low | 28.9 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 96% | 0.964 | 78% | 0.778 | S | S | * | * | trans | -17.6 | 119.3 | 143.3 | 179.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 870 | G | 25.5 | Very low | 29.1 | Very low | 76 Ų | 76 | 121.8 Ų | 121.8 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -159.5 | 104.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G868 | G868-G870 PolarHBondContact O-N 3.21Š| ||
| 871 | A | 28 | Very low | 29.2 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -84.2 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 872 | S | 26.5 | Very low | 29.4 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 107.3 | 118.1 | 152.3 | -152.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 873 | C | 24.6 | Very low | 29.7 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | 46.3 | 128.7 | 133.9 | -59 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 874 | R | 28.8 | Very low | 29.8 | Very low | 239 Ų | 239 | 125.5 Ų | 125.5 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -38.2 | 153.6 | 148 | -57.5 | 172 | 168.7 | -176.4 | -4 | 112.2 | ||||
| 875 | P | 38.5 | Very low | 29.9 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | -145.8 | 154.4 | 98.3 | 38.2 | -24.7 | 0 | 0 | 0 | 116.2 | |||||
| 876 | S | 27.7 | Very low | 30.9 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 49.3 | 144.1 | 147.1 | -117.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 877 | S | 29.1 | Very low | 30.6 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | cis | -165.2 | 161.5 | 38.5 | 35.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 878 | Q | 30.2 | Very low | 30.1 | Very low | 166 Ų | 166 | 132 Ų | 132 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -95.4 | 177.5 | 167.9 | -61.7 | -179.3 | -37.3 | 0 | 0 | 111.1 | ||||
| 879 | P | 44.2 | Very low | 30.2 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | -125.5 | 141.1 | 96.3 | 0.4 | 21.7 | 0 | 0 | 0 | 113.3 | |||||
| 880 | I | 31.1 | Very low | 31.3 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | 72.2 | 122.2 | 74.7 | -63.2 | 164.3 | 0 | 0 | 0 | 111.2 | |||||
| 881 | M | 26.7 | Very low | 31.4 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 80% | 0.803 | 76% | 0.76 | S | S | * | * | cis | -136.9 | 140.7 | 49.1 | -69.3 | -179.2 | 72.9 | 0 | 0 | 112 | ||||
| 882 | S | 31.1 | Very low | 31.6 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | 53.8 | 137 | 76 | 72.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 883 | Q | 31.5 | Very low | 31.5 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | cis | -159.6 | -178.5 | 5.1 | -131.9 | 173 | 5.5 | 0 | 0 | 108.4 | ||||
| 884 | S | 26.9 | Very low | 31.6 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | cis | -155.9 | -151.6 | 7.8 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 885 | L | 28.4 | Very low | 31.5 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -157.4 | 160.8 | 179.8 | -115.4 | 169.6 | 0 | 0 | 0 | 108.4 | ||||
| 886 | P | 45.3 | Very low | 30.9 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | -162.2 | 160.4 | 82.3 | 42.4 | -21.6 | 0 | 0 | 0 | 120.1 | |||||
| 887 | K | 31.3 | Very low | 30.9 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | 57.6 | 161.5 | 141.8 | -74.5 | 178.6 | 153.2 | -146.7 | 0 | 120.4 | ||||
| 888 | E | 25.7 | Very low | 30.9 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | cis | -148.3 | 174.1 | 5.7 | -143 | 147.3 | -140.8 | 0 | 0 | 111.9 | ||||
| 889 | G | 26.9 | Very low | 30.7 | Very low | 64 Ų | 64 | 128.5 Ų | 128.5 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | trans | -119 | -152.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 890 | P | 49.7 | Very low | 29.9 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | cis | -132.8 | -167.9 | -5.4 | 42.8 | -25.3 | 0 | 0 | 0 | 113.4 | ||||
| 891 | D | 27.5 | Very low | 29.9 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 60% | 0.599 | 76% | 0.759 | S | S | * | * | 161.8 | 143.4 | 109.1 | -127.6 | -17.6 | 0 | 0 | 0 | 116.6 | |||||
| 892 | K | 31.1 | Very low | 29.9 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | trans | 54.1 | 129.5 | 156.6 | -70.8 | 141.6 | -167.4 | 157.8 | 0 | 121.3 | ||||
| 893 | C | 25 | Very low | 29.7 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | 76.4 | 137.6 | 57.3 | -66 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 894 | S | 26.2 | Very low | 29.4 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | cis | -169.4 | 162.1 | 8.4 | -112.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 895 | I | 26.7 | Very low | 29.3 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 76.5 | 122.6 | 141.9 | -71 | 166.6 | 0 | 0 | 0 | 122.8 | ||||
| 896 | S | 27.4 | Very low | 29.5 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | 52.4 | 153.3 | 145.8 | 81.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 897 | G | 26.3 | Very low | 28.8 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | 155.1 | 111 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 898 | H | 29.9 | Very low | 28.5 | Very low | 208 Ų | 208 | 128.1 Ų | 128.1 | 96% | 0.963 | 76% | 0.756 | S | S | * | * | trans | -70.2 | 151.4 | 168.5 | -70.2 | -103.5 | 0 | 0 | 0 | 112.1 | ||||
| 899 | G | 26 | Very low | 28.9 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | 176.4 | 142.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 900 | S | 27.3 | Very low | 29 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -139.9 | 167.4 | -177.1 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 901 | L | 30.1 | Very low | 28.1 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | trans | 82.5 | 116.1 | 165.5 | -56 | -176.4 | 0 | 0 | 0 | 120.5 | ||||
| 902 | N | 26.8 | Very low | 28.1 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | 89 | 130.9 | 123.3 | -71.1 | -14.3 | 0 | 0 | 0 | 123.9 | |||||
| 903 | S | 26.9 | Very low | 28 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 100.3 | 98.8 | 133.3 | 71.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 904 | I | 26.1 | Very low | 28.2 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | 57.9 | 135.3 | 114 | -66 | 166.2 | 0 | 0 | 0 | 120 | |||||
| 905 | S | 24.4 | Very low | 28.1 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | 77.2 | 147.6 | 163.7 | -71.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 906 | R | 32.6 | Very low | 28.1 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 75% | 0.751 | 76% | 0.761 | S | S | * | * | cis | -168.9 | 152.6 | -8.7 | -115.5 | 167.8 | -170.4 | -165.9 | 4.1 | 110.1 | ||||
| 907 | H | 30.4 | Very low | 28.8 | Very low | 183 Ų | 183 | 135 Ų | 135 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | 63 | 168.4 | 154.6 | -58.8 | -40.2 | 0 | 0 | 0 | 116.6 | ||||
| 908 | S | 25.9 | Very low | 28.9 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -150.4 | 145.8 | -10.8 | 24.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 909 | S | 33.3 | Very low | 29 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -48 | 154.8 | 161.8 | 42.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 910 | L | 29.7 | Very low | 29.1 | Very low | 146 Ų | 146 | 143 Ų | 143 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | -141.2 | 115.6 | 156.3 | -68.6 | 176.8 | 0 | 0 | 0 | 107.6 | ||||
| 911 | K | 30.6 | Very low | 29.1 | Very low | 170 Ų | 170 | 146 Ų | 146 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | 83.4 | 146.8 | 86.6 | -80.1 | -176.1 | -173.5 | 163.7 | 0 | 113.5 | |||||
| 912 | N | 27.6 | Very low | 28.9 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 60% | 0.604 | 75% | 0.751 | S | S | * | * | cis | -164.7 | 141 | 18.1 | -126.7 | -7.1 | 0 | 0 | 0 | 113.3 | ||||
| 913 | R | 27.9 | Very low | 29 | Very low | 204 Ų | 204 | 143.5 Ų | 143.5 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 65.6 | 162.9 | 139.2 | -66.9 | 169.9 | -178.7 | -91.9 | 1.2 | 120.1 | ||||
| 914 | L | 29.5 | Very low | 29 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | cis | -148.1 | 158.6 | 4.4 | -156.9 | 67.6 | 0 | 0 | 0 | 113.3 | ||||
| 915 | D | 25.8 | Very low | 29.3 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -3 | 170.2 | 166.8 | -68.3 | -73.8 | 0 | 0 | 0 | 127 | ||||
| 916 | S | 25.9 | Very low | 29.5 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -116.5 | 167 | -174.4 | 165.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 917 | P | 41.7 | Very low | 29.4 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -135.5 | 173.6 | 136.5 | 37.3 | -25.2 | 0 | 0 | 0 | 115.7 | ||||
| 918 | Q | 29.6 | Very low | 29.2 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -105.5 | 170.3 | -173.2 | -57.8 | 170.9 | -4.9 | 0 | 0 | 113.5 | ||||
| 919 | I | 30.4 | Very low | 29.2 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | 150.5 | 121 | 128 | -81.6 | 167.6 | 0 | 0 | 0 | 116.2 | |||||
| 920 | R | 28.1 | Very low | 28.9 | Very low | 220 Ų | 220 | 142.8 Ų | 142.8 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | 53.4 | 156.6 | 144.9 | -68.2 | 178.1 | -173.7 | 178.1 | 1.2 | 121.7 | ||||
| 921 | K | 28.8 | Very low | 28.8 | Very low | 175 Ų | 175 | 145.1 Ų | 145.1 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | cis | -167.3 | -178 | -19.3 | -117 | -175.5 | 177.5 | -170.2 | 0 | 110.9 | ||||
| 922 | T | 24.8 | Very low | 28.7 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 74.1 | 124.1 | 174 | 62.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 923 | A | 28.5 | Very low | 28.8 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | 78.3 | 132.3 | 29.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 924 | T | 27.1 | Very low | 29 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | cis | -156 | 173.5 | 35.4 | 43.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 925 | A | 33.3 | Very low | 29.4 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | cis | -177.5 | 154.8 | -27.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 926 | G | 27.4 | Very low | 29.9 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 163 | 143 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 927 | R | 30.7 | Very low | 30.7 | Very low | 228 Ų | 228 | 148.6 Ų | 148.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | -158.4 | 112.7 | -93.5 | -179 | -163.6 | -175.3 | -162.8 | 5 | 114.7 | |||||
| 928 | S | 26.6 | Very low | 31 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -156.8 | 95.4 | 161.3 | 23.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 929 | K | 26.5 | Very low | 32.1 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | 55.5 | 101 | 108.8 | -67.5 | -174.7 | -179.3 | -178.2 | 0 | 113.8 | |||||
| 930 | S | 27.6 | Very low | 33.3 | Very low | 93 Ų | 93 | 144.4 Ų | 144.4 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | 84.2 | 139.4 | 77.6 | -94 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 931 | F | 26.4 | Very low | 34.9 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | cis | -134.6 | 159.3 | 4.1 | -82.4 | -79.4 | 0 | 0 | 0 | 111.4 | ||||
| 932 | N | 29.3 | Very low | 36.4 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | trans | -116.3 | 123.5 | 161.8 | -175.5 | 8.3 | 0 | 0 | 0 | 109 | ||||
| 933 | N | 29.5 | Very low | 38.2 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -176.7 | 118.2 | 172.5 | -110.9 | -17.5 | 0 | 0 | 0 | 108.3 | ||||
| 934 | H | 32.2 | Very low | 39.9 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | trans | -163.7 | 159.9 | 143.2 | -96.4 | -64.1 | 0 | 0 | 0 | 109.4 | ||||
| 935 | R | 37.4 | Very low | 41.7 | Very low | 216 Ų | 216 | 129.9 Ų | 129.9 | 82% | 0.815 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 166.3 | 177.6 | -71.8 | -180 | 177.7 | 179.2 | -1.1 | 110.7 | M937 | R935-M937 PolarHBondContact O-N 2.86Š|
| 936 | P | 36.2 | Very low | 43.5 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 84% | 0.838 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 129.7 | 154.5 | 25.1 | -34.8 | 0 | 0 | 0 | 109.3 | ||
| 937 | M | 41.8 | Very low | 45.6 | Very low | 120 Ų | 120 | 132 Ų | 132 | 59% | 0.591 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -78 | 147.5 | -179.9 | -70.7 | -61.5 | -167.6 | 0 | 0 | 111.1 | R935 I942 | R935-M937 PolarHBondContact O-N 2.86Å; M937-I942 HydrophobicContact CB-CD1 4.16Å; M937-I942 HydrophobicContact CB-CG1 4.45Å |
| 938 | D | 48.7 | Very low | 47.6 | Very low | 104 Ų | 104 | 124 Ų | 124 | 56% | 0.556 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 131.6 | 179.7 | -132 | -33.5 | 0 | 0 | 0 | 110.3 | E940 V941 I942 | D938-E940 PolarHBondContact O-N 3.01Å; D938-E940 VanDerWaalsContact O-N 3.16Å; D938-V941 HydrophobicContact CB-CG2 4.08Å; D938-V941 PolarHBondContact O-N 2.97Å; D938-I942 PolarHBondContact O-N 3.47Å |
| 939 | P | 53.3 | Low | 49.9 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 62% | 0.617 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -57.9 | -30.4 | -177.3 | -27.8 | 36.6 | 0 | 0 | 0 | 114.4 | I942 A943 | P939-I942 PolarHBondContact O-N 3.25Å; P939-A943 PolarHBondContact O-N 3.06Å |
| 940 | E | 54.6 | Low | 51.8 | Low | 153 Ų | 153 | 120.4 Ų | 120.4 | 72% | 0.715 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.8 | -26 | 178.7 | -72.8 | 175.4 | 107.9 | 0 | 0 | 113 | D938 Q944 | D938-E940 PolarHBondContact O-N 3.01Å; D938-E940 VanDerWaalsContact O-N 3.16Å; E940-Q944 WeakPolarHBondContact O-CG 3.47Å; E940-Q944 PolarHBondContact O-N 3.49Å |
| 941 | V | 61.8 | Low | 53.9 | Low | 72 Ų | 72 | 119.8 Ų | 119.8 | 44% | 0.436 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.6 | -41.8 | 171.9 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | D938 A943 Q944 D945 | D938-V941 HydrophobicContact CB-CG2 4.08Å; D938-V941 PolarHBondContact O-N 2.97Å; V941-A943 VanDerWaalsContact C-N 3.3Å; V941-A943 PolarHBondContact O-N 3.19Å; V941-Q944 PolarHBondContact O-N 3.19Å; V941-D945 PolarHBondContact O-N 2.85Å |
| 942 | I | 61.1 | Low | 56.3 | Low | 88 Ų | 88 | 113.4 Ų | 113.4 | 45% | 0.451 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64 | -38.4 | 175.5 | -61.9 | 171.4 | 0 | 0 | 0 | 110.5 | M937 D938 P939 I946 | M937-I942 HydrophobicContact CB-CD1 4.16Å; M937-I942 HydrophobicContact CB-CG1 4.45Å; D938-I942 PolarHBondContact O-N 3.47Å; P939-I942 PolarHBondContact O-N 3.25Å; I942-I946 HydrophobicContact CG2-CD1 3.96Å; I942-I946 WeakPolarHBondContact O-CD1 3.2Å; I942-I946 VanDerWaalsContact O-CG1 3.26Å; I942-I946 WeakPolarHBondContact O-CG1 3.15Å; I942-I946 PolarHBondContact O-N 3.1Å; I942-I946 VanDerWaalsContact O-N 3.12Å |
| 943 | A | 62 | Low | 57.9 | Low | 55 Ų | 55 | 108.2 Ų | 108.2 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.1 | -42.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P939 V941 I946 E947 | P939-A943 PolarHBondContact O-N 3.06Å; V941-A943 VanDerWaalsContact C-N 3.3Å; V941-A943 PolarHBondContact O-N 3.19Å; A943-I946 PolarHBondContact O-N 2.85Å; A943-E947 WeakPolarHBondContact O-CB 3.44Å; A943-E947 PolarHBondContact O-N 3.04Å |
| 944 | Q | 64.4 | Low | 59.9 | Low | 133 Ų | 133 | 105.7 Ų | 105.7 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.8 | -39.4 | 177.5 | -77.6 | -177.6 | -11.6 | 0 | 0 | 113.3 | E940 V941 E947 A948 | E940-Q944 WeakPolarHBondContact O-CG 3.47Å; E940-Q944 PolarHBondContact O-N 3.49Å; V941-Q944 PolarHBondContact O-N 3.19Å; Q944-E947 PolarHBondContact O-N 3.05Å; Q944-A948 VanDerWaalsContact O-CB 3.25Å; Q944-A948 WeakPolarHBondContact O-CB 3.45Å; Q944-A948 PolarHBondContact O-N 2.91Å |
| 945 | D | 64.7 | Low | 61.6 | Low | 107 Ų | 107 | 101.8 Ų | 101.8 | 57% | 0.572 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.8 | -37.4 | 175 | -82.9 | -14 | 0 | 0 | 0 | 111.8 | V941 T949 | V941-D945 PolarHBondContact O-N 2.85Å; D945-T949 VanDerWaalsContact O-CB 3.31Å; D945-T949 WeakPolarHBondContact O-CB 3.44Å; D945-T949 PolarHBondContact O-N 3.15Å; D945-T949 PolarHBondContact O-OG1 3.16Å |
| 946 | I | 70.5 | Confident | 63.3 | Low | 98 Ų | 98 | 97.3 Ų | 97.3 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 174.1 | -69 | 167.3 | 0 | 0 | 0 | 110.8 | I942 A943 T949 M950 | I942-I946 HydrophobicContact CG2-CD1 3.96Å; I942-I946 WeakPolarHBondContact O-CD1 3.2Å; I942-I946 VanDerWaalsContact O-CG1 3.26Å; I942-I946 WeakPolarHBondContact O-CG1 3.15Å; I942-I946 PolarHBondContact O-N 3.1Å; I942-I946 VanDerWaalsContact O-N 3.12Å; A943-I946 PolarHBondContact O-N 2.85Å; I946-T949 PolarHBondContact O-N 3.36Å; I946-M950 HydrophobicContact CG2-SD 4.28Å; I946-M950 WeakPolarHBondContact O-CB 3.38Å; I946-M950 WeakPolarHBondContact O-CG 3.4Å; I946-M950 PolarHBondContact O-N 2.69Å |
| 947 | E | 72.4 | Confident | 64.4 | Low | 125 Ų | 125 | 96.5 Ų | 96.5 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.3 | -39.5 | 177.9 | -176.3 | 168.3 | -156.2 | 0 | 0 | 111.8 | A943 Q944 N951 | A943-E947 WeakPolarHBondContact O-CB 3.44Å; A943-E947 PolarHBondContact O-N 3.04Å; Q944-E947 PolarHBondContact O-N 3.05Å; E947-N951 WeakPolarHBondContact CG-ND2 3.18Å; E947-N951 WeakPolarHBondContact O-CB 3.43Å; E947-N951 PolarHBondContact O-N 3.41Å; E947-N951 PolarHBondContact O-ND2 3.23Å |
| 948 | A | 72.2 | Confident | 65.5 | Low | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q944 N951 S952 | Q944-A948 VanDerWaalsContact O-CB 3.25Å; Q944-A948 WeakPolarHBondContact O-CB 3.45Å; Q944-A948 PolarHBondContact O-N 2.91Å; A948-N951 PolarHBondContact O-N 3.35Å; A948-S952 PolarHBondContact O-N 3.47Å |
| 949 | T | 76.1 | Confident | 66 | Low | 98 Ų | 98 | 99.5 Ų | 99.5 | 60% | 0.601 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 177.4 | -57 | 0 | 0 | 0 | 0 | 111.5 | D945 I946 S952 A953 | D945-T949 VanDerWaalsContact O-CB 3.31Å; D945-T949 WeakPolarHBondContact O-CB 3.44Å; D945-T949 PolarHBondContact O-N 3.15Å; D945-T949 PolarHBondContact O-OG1 3.16Å; I946-T949 PolarHBondContact O-N 3.36Å; T949-S952 PolarHBondContact O-N 3.12Å; T949-A953 PolarHBondContact O-N 3.18Å |
| 950 | M | 66.3 | Low | 66 | Low | 116 Ų | 116 | 100.1 Ų | 100.1 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 174.7 | -77.8 | -176.9 | 59.9 | 0 | 0 | 112.3 | I946 S952 A953 L954 | I946-M950 HydrophobicContact CG2-SD 4.28Å; I946-M950 WeakPolarHBondContact O-CB 3.38Å; I946-M950 WeakPolarHBondContact O-CG 3.4Å; I946-M950 PolarHBondContact O-N 2.69Å; M950-S952 VanDerWaalsContact C-N 3.32Å; M950-S952 PolarHBondContact O-N 3.48Å; M950-A953 PolarHBondContact O-N 3.44Å; M950-L954 WeakPolarHBondContact O-CB 3.32Å; M950-L954 VanDerWaalsContact O-CG 3.26Å; M950-L954 WeakPolarHBondContact O-CG 3.35Å; M950-L954 PolarHBondContact O-N 2.95Å |
| 951 | N | 70.9 | Confident | 65.8 | Low | 80 Ų | 80 | 99.5 Ų | 99.5 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.8 | -30.7 | 177.2 | -80 | -70.2 | 0 | 0 | 0 | 112.6 | E947 A948 N955 | E947-N951 WeakPolarHBondContact CG-ND2 3.18Å; E947-N951 WeakPolarHBondContact O-CB 3.43Å; E947-N951 PolarHBondContact O-N 3.41Å; E947-N951 PolarHBondContact O-ND2 3.23Å; A948-N951 PolarHBondContact O-N 3.35Å; N951-N955 WeakPolarHBondContact O-CB 3.5Å; N951-N955 VanDerWaalsContact O-CG 3.3Å; N951-N955 PolarHBondContact O-N 3.21Å; N951-N955 PolarHBondContact O-ND2 3.24Å; N951-N955 VanDerWaalsContact O-ND2 3.12Å |
| 952 | S | 77.1 | Confident | 65.2 | Low | 62 Ų | 62 | 104.7 Ų | 104.7 | 43% | 0.434 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.3 | -52.5 | 171.1 | -157.9 | 0 | 0 | 0 | 0 | 111 | A948 T949 M950 L954 N955 E956 | A948-S952 PolarHBondContact O-N 3.47Å; T949-S952 PolarHBondContact O-N 3.12Å; M950-S952 VanDerWaalsContact C-N 3.32Å; M950-S952 PolarHBondContact O-N 3.48Å; S952-L954 VanDerWaalsContact C-N 3.32Å; S952-L954 PolarHBondContact O-N 2.82Å; S952-N955 PolarHBondContact O-N 3.3Å; S952-E956 PolarHBondContact O-N 3.3Å |
| 953 | A | 63.5 | Low | 64.4 | Low | 45 Ų | 45 | 107.1 Ų | 107.1 | 37% | 0.372 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T949 M950 N955 E956 L957 | T949-A953 PolarHBondContact O-N 3.18Å; M950-A953 PolarHBondContact O-N 3.44Å; A953-N955 VanDerWaalsContact C-N 3.34Å; A953-E956 PolarHBondContact O-N 3.48Å; A953-L957 WeakPolarHBondContact O-CB 3.42Å; A953-L957 PolarHBondContact O-N 2.91Å |
| 954 | L | 70.9 | Confident | 63.4 | Low | 89 Ų | 89 | 109.1 Ų | 109.1 | 47% | 0.466 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.1 | -28.2 | 174.9 | -73.1 | 170.4 | 0 | 0 | 0 | 113.1 | M950 S952 R958 | M950-L954 WeakPolarHBondContact O-CB 3.32Å; M950-L954 VanDerWaalsContact O-CG 3.26Å; M950-L954 WeakPolarHBondContact O-CG 3.35Å; M950-L954 PolarHBondContact O-N 2.95Å; S952-L954 VanDerWaalsContact C-N 3.32Å; S952-L954 PolarHBondContact O-N 2.82Å; L954-R958 WeakPolarHBondContact O-CG 3.47Å; L954-R958 PolarHBondContact O-N 3.3Å |
| 955 | N | 68.4 | Low | 62.2 | Low | 93 Ų | 93 | 107 Ų | 107 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76 | -42 | 171.8 | -77.1 | -32.5 | 0 | 0 | 0 | 111.5 | N951 S952 A953 L957 R958 E959 | N951-N955 WeakPolarHBondContact O-CB 3.5Å; N951-N955 VanDerWaalsContact O-CG 3.3Å; N951-N955 PolarHBondContact O-N 3.21Å; N951-N955 PolarHBondContact O-ND2 3.24Å; N951-N955 VanDerWaalsContact O-ND2 3.12Å; S952-N955 PolarHBondContact O-N 3.3Å; A953-N955 VanDerWaalsContact C-N 3.34Å; N955-L957 VanDerWaalsContact C-N 3.34Å; N955-L957 PolarHBondContact O-N 2.99Å; N955-R958 CarbonylContact O-C 3.45Å; N955-R958 PolarHBondContact O-N 3.48Å; N955-R958 VanDerWaalsContact O-N 3.14Å; N955-E959 WeakPolarHBondContact O-CB 3.3Å; N955-E959 PolarHBondContact O-N 3.2Å |
| 956 | E | 73.4 | Confident | 60.5 | Low | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.57 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.4 | -42.9 | 173.8 | -72.4 | 177.3 | 178.9 | 0 | 0 | 111.9 | S952 A953 R958 E959 L960 | S952-E956 PolarHBondContact O-N 3.3Å; A953-E956 PolarHBondContact O-N 3.48Å; E956-R958 PolarHBondContact O-N 3.39Å; E956-E959 PolarHBondContact O-N 3.32Å; E956-L960 WeakPolarHBondContact O-CG 3.33Å; E956-L960 PolarHBondContact O-N 3.42Å |
| 957 | L | 58.5 | Low | 58.9 | Low | 112 Ų | 112 | 112.6 Ų | 112.6 | 59% | 0.586 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -58.7 | -43.1 | 172.6 | -89.6 | 161.5 | 0 | 0 | 0 | 112.6 | A953 N955 L960 E961 | A953-L957 WeakPolarHBondContact O-CB 3.42Å; A953-L957 PolarHBondContact O-N 2.91Å; N955-L957 VanDerWaalsContact C-N 3.34Å; N955-L957 PolarHBondContact O-N 2.99Å; L957-L960 PolarHBondContact O-N 3.32Å; L957-E961 PolarHBondContact O-N 3.31Å |
| 958 | R | 64.6 | Low | 56.9 | Low | 173 Ų | 173 | 115.5 Ų | 115.5 | 65% | 0.653 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.3 | -32.8 | 175.7 | -76.4 | 174.9 | 176.1 | -175.8 | 1.5 | 113.1 | L954 N955 E956 E961 R962 | L954-R958 WeakPolarHBondContact O-CG 3.47Å; L954-R958 PolarHBondContact O-N 3.3Å; N955-R958 CarbonylContact O-C 3.45Å; N955-R958 PolarHBondContact O-N 3.48Å; N955-R958 VanDerWaalsContact O-N 3.14Å; E956-R958 PolarHBondContact O-N 3.39Å; R958-E961 PolarHBondContact O-N 2.88Å; R958-R962 WeakPolarHBondContact O-CB 3.25Å; R958-R962 PolarHBondContact O-N 3.33Å |
| 959 | E | 59.4 | Low | 54.7 | Low | 113 Ų | 113 | 118.4 Ų | 118.4 | 53% | 0.528 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.9 | -38.9 | 177 | -162.9 | 104.2 | -115.3 | 0 | 0 | 110.6 | N955 E956 R962 Q963 | N955-E959 WeakPolarHBondContact O-CB 3.3Å; N955-E959 PolarHBondContact O-N 3.2Å; E956-E959 PolarHBondContact O-N 3.32Å; E959-R962 PolarHBondContact O-N 3.35Å; E959-Q963 WeakPolarHBondContact O-CG 3.47Å; E959-Q963 PolarHBondContact O-N 2.67Å |
| 960 | L | 53.3 | Low | 53.6 | Low | 109 Ų | 109 | 119.1 Ų | 119.1 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.9 | -45.1 | 169.9 | -74.4 | 163.2 | 0 | 0 | 0 | 112 | E956 L957 R962 Q963 S964 | E956-L960 WeakPolarHBondContact O-CG 3.33Å; E956-L960 PolarHBondContact O-N 3.42Å; L957-L960 PolarHBondContact O-N 3.32Å; L960-R962 PolarHBondContact O-N 3.29Å; L960-Q963 PolarHBondContact O-N 2.9Å; L960-S964 PolarHBondContact O-N 3.48Å |
| 961 | E | 49.1 | Very low | 51.9 | Low | 140 Ų | 140 | 120.6 Ų | 120.6 | 65% | 0.654 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.4 | -27.8 | 174.2 | -127.2 | 179.3 | -172.7 | 0 | 0 | 112.5 | L957 R958 S964 | L957-E961 PolarHBondContact O-N 3.31Å; R958-E961 PolarHBondContact O-N 2.88Å; E961-S964 PolarHBondContact O-OG 3.23Å |
| 962 | R | 49.4 | Very low | 50 | Low | 181 Ų | 181 | 122.6 Ų | 122.6 | 68% | 0.683 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -15.1 | 175 | -129.6 | -179 | 67.2 | 73.4 | 1.8 | 114.1 | R958 E959 L960 | R958-R962 WeakPolarHBondContact O-CB 3.25Å; R958-R962 PolarHBondContact O-N 3.33Å; E959-R962 PolarHBondContact O-N 3.35Å; L960-R962 PolarHBondContact O-N 3.29Å |
| 963 | Q | 44.9 | Very low | 47.7 | Very low | 139 Ų | 139 | 125 Ų | 125 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -27.8 | 176.8 | -72.2 | 173.1 | 41.5 | 0 | 0 | 112.5 | E959 L960 S965 | E959-Q963 WeakPolarHBondContact O-CG 3.47Å; E959-Q963 PolarHBondContact O-N 2.67Å; L960-Q963 PolarHBondContact O-N 2.9Å; Q963-S965 VanDerWaalsContact C-N 3.26Å; Q963-S965 PolarHBondContact O-N 2.85Å |
| 964 | S | 40.8 | Very low | 46.2 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -77 | -4 | 179.9 | 61.9 | 0 | 0 | 0 | 0 | 114.9 | L960 E961 | L960-S964 PolarHBondContact O-N 3.48Å; E961-S964 PolarHBondContact O-OG 3.23Å |
| 965 | S | 38.8 | Very low | 44.4 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | trans | -117.5 | 50.8 | -170.1 | 68.5 | 0 | 0 | 0 | 0 | 114.6 | Q963 | Q963-S965 VanDerWaalsContact C-N 3.26Å; Q963-S965 PolarHBondContact O-N 2.85Å | ||
| 966 | V | 31 | Very low | 42.7 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 78% | 0.782 | 69% | 0.687 | S | S | * | * | trans | -122 | 138.7 | 172.3 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 967 | K | 36.2 | Very low | 40.6 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | trans | -78.8 | 153.9 | -174.5 | -57.2 | 175.1 | 179.3 | -179.5 | 0 | 112.5 | ||||
| 968 | H | 29.6 | Very low | 39.4 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.856 | 71% | 0.713 | S | S | * | * | trans | -142.7 | 136 | 154.2 | -121.6 | -58.7 | 0 | 0 | 0 | 113.6 | ||||
| 969 | T | 26.1 | Very low | 38.4 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | -160.2 | 161.8 | 167.1 | 39.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 970 | P | 52.9 | Low | 37 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 72% | 0.723 | S | S | * | * | cis | -139.4 | 178.3 | -33.9 | 39.7 | -23.3 | 0 | 0 | 0 | 114.8 | ||||
| 971 | D | 31.4 | Very low | 36 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | 86.2 | 163.8 | 139.9 | -143.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 972 | V | 30.7 | Very low | 34.8 | Very low | 122 Ų | 122 | 138 Ų | 138 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | trans | 82.6 | 126.4 | 165.4 | -179.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 973 | V | 29.3 | Very low | 33.6 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | cis | -171.2 | 149.8 | -16.4 | 101.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 974 | L | 32.3 | Very low | 34.3 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | 47.7 | 156.8 | 158.5 | -59.1 | 172.9 | 0 | 0 | 0 | 120.5 | ||||
| 975 | D | 33.3 | Very low | 33.8 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | cis | -159.5 | -166 | 4.6 | -131.5 | -37.6 | 0 | 0 | 0 | 108.4 | ||||
| 976 | T | 31.4 | Very low | 33.3 | Very low | 105 Ų | 105 | 138 Ų | 138 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | cis | -160.4 | 151.8 | 5.3 | 4.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 977 | L | 30.3 | Very low | 33.2 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | 54 | 134 | 144.1 | -63 | 171 | 0 | 0 | 0 | 125.6 | ||||
| 978 | E | 32.6 | Very low | 34.1 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | -80.7 | -174.1 | 157.4 | -52.1 | -178.4 | 130.6 | 0 | 0 | 112.9 | ||||
| 979 | P | 43.3 | Very low | 34.1 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | -162.4 | 161 | 90.5 | 42.6 | -22.2 | 0 | 0 | 0 | 120.9 | |||||
| 980 | L | 29.6 | Very low | 34.3 | Very low | 138 Ų | 138 | 129 Ų | 129 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | trans | 70.5 | 156.6 | 147.5 | -66.7 | 156.9 | 0 | 0 | 0 | 120.3 | ||||
| 981 | K | 32.8 | Very low | 33.1 | Very low | 176 Ų | 176 | 132 Ų | 132 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | cis | -168.3 | 165.9 | -29.7 | -129.1 | -176.8 | -148.2 | 161.1 | 0 | 107.6 | ||||
| 982 | T | 24.9 | Very low | 33.8 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | -172.8 | 163 | 69.7 | 41.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 983 | S | 23.3 | Very low | 33.7 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -153.1 | -178.7 | 173.4 | -137.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 984 | P | 59.4 | Low | 33.8 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | -140.3 | -127 | 23.4 | 43.9 | -20.7 | 0 | 0 | 0 | 114.2 | ||||
| 985 | V | 30.5 | Very low | 34.7 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | 88 | 123.7 | 174.2 | 176 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 986 | V | 29.6 | Very low | 34.4 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | cis | -153 | -150.5 | -9 | 76.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 987 | A | 28.5 | Very low | 34.3 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -144.8 | -165.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 988 | P | 54.5 | Low | 34.1 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | cis | -120.1 | -170 | -4.8 | 41 | -23.1 | 0 | 0 | 0 | 112.3 | ||||
| 989 | T | 30.6 | Very low | 33.8 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | cis | -126.1 | -162.3 | 11.3 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 990 | S | 28.3 | Very low | 32.9 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | cis | -151.2 | -153 | 7.6 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 991 | E | 29.4 | Very low | 32.6 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -149.1 | 175.2 | -176.1 | -96.2 | -168.4 | 170.8 | 0 | 0 | 110.8 | ||||
| 992 | P | 46.3 | Very low | 32.1 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | cis | -123.6 | -174 | -2.1 | 11.8 | 15.3 | 0 | 0 | 0 | 112.6 | ||||
| 993 | S | 27.7 | Very low | 32.2 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | cis | -164 | -141.2 | -18.5 | 58.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 994 | S | 30.9 | Very low | 32.9 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -153.7 | -132.7 | 176.1 | -47.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 995 | P | 50.7 | Low | 31.3 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -144.1 | 166.8 | -2.6 | 45 | -25.1 | 0 | 0 | 0 | 119.8 | ||||
| 996 | M | 28.6 | Very low | 32.3 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 84% | 0.837 | 77% | 0.772 | S | S | * | * | trans | 87.9 | 160.7 | 136.6 | -85.5 | -61.7 | 112.1 | 0 | 0 | 127.1 | ||||
| 997 | H | 28.4 | Very low | 32.1 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -79.1 | 169.5 | -176.6 | -96 | -64.6 | 0 | 0 | 0 | 115.9 | ||||
| 998 | T | 26.8 | Very low | 32.1 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | 174 | -178.6 | 107.4 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 999 | Q | 24.8 | Very low | 30.8 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | -98 | 161.1 | -164.9 | -50.7 | 164.1 | -50.9 | 0 | 0 | 115.6 | ||||
| 1000 | L | 25.4 | Very low | 30.7 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 68.6 | 145.1 | 138 | -87.2 | 163.8 | 0 | 0 | 0 | 123 | ||||
| 1001 | L | 22.3 | Very low | 30.9 | Very low | 142 Ų | 142 | 142 Ų | 142 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 87.7 | 116.5 | 153.9 | -69.7 | 157.5 | 0 | 0 | 0 | 122 | ||||
| 1002 | K | 22.7 | Very low | 30.9 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | 80.1 | 130.9 | 138.6 | -71.9 | 179.6 | 173 | -178.8 | 0 | 122.7 | ||||
| 1003 | D | 28.4 | Very low | 30.4 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -34.9 | 159.9 | 147.4 | -67 | -72.6 | 0 | 0 | 0 | 116 | ||||
| 1004 | P | 36.6 | Very low | 30.8 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | cis | -146.9 | 177.5 | 35.6 | 42.2 | -21.7 | 0 | 0 | 0 | 120.3 | ||||
| 1005 | E | 25.6 | Very low | 31.2 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -9.4 | 177.4 | 143.8 | -101.4 | -161.3 | 158.7 | 0 | 0 | 121.5 | ||||
| 1006 | P | 52.1 | Low | 30.2 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | cis | -140.3 | 170.9 | -14.6 | 34.3 | -15.3 | 0 | 0 | 0 | 116.4 | ||||
| 1007 | A | 26.3 | Very low | 30.3 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | 168.9 | 147.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1008 | F | 28.4 | Very low | 30.4 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | cis | -165.6 | 125.2 | -18.8 | -137.6 | -99.4 | 0 | 0 | 0 | 109.6 | ||||
| 1009 | Q | 27 | Very low | 30.6 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 62% | 0.621 | 75% | 0.75 | S | S | * | * | trans | 62.7 | 155.8 | 164.6 | -67.2 | -176.9 | 23.8 | 0 | 0 | 118.8 | ||||
| 1010 | R | 28.3 | Very low | 30.7 | Very low | 201 Ų | 201 | 130 Ų | 130 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | cis | -162.3 | 138 | -3.7 | -124.8 | 171.5 | -176.4 | 162.2 | -2.7 | 111.2 | ||||
| 1011 | S | 32.7 | Very low | 31 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 52.5 | 143.5 | 151.3 | 48.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1012 | A | 29.6 | Very low | 31.2 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | cis | -164.9 | 149.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1013 | S | 35.2 | Very low | 31.6 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | 39.6 | 141.1 | 135.6 | -50.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1014 | T | 37.2 | Very low | 32.8 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | cis | -173.3 | 159.6 | -1.3 | 17.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1015 | A | 37.8 | Very low | 32.5 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | cis | -137 | -148.4 | -3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1016 | G | 30.8 | Very low | 32.9 | Very low | 63 Ų | 63 | 128.2 Ų | 128.2 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | 114.5 | 154.4 | 8.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1017 | D | 29.8 | Very low | 31.9 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | cis | -168.7 | 156.6 | -4.8 | -80.9 | -49.2 | 0 | 0 | 0 | 107.3 | ||||
| 1018 | I | 31.2 | Very low | 31.9 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | cis | -156.4 | 172 | -9.1 | -117.1 | 166.3 | 0 | 0 | 0 | 108.4 | ||||
| 1019 | A | 30.2 | Very low | 32.1 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -130.9 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1020 | C | 28.1 | Very low | 32.3 | Very low | 131 Ų | 131 | 134 Ų | 134 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | 72.5 | 162.6 | 163.7 | -70 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1021 | A | 30.2 | Very low | 32.3 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | cis | -174 | 177.1 | -29.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1022 | F | 27.8 | Very low | 32.3 | Very low | 175 Ų | 175 | 128 Ų | 128 | 77% | 0.768 | 77% | 0.769 | S | S | * | * | trans | 65.7 | 113.3 | 163.8 | -71.2 | -83.6 | 0 | 0 | 0 | 119.8 | ||||
| 1023 | R | 30.2 | Very low | 32.6 | Very low | 217 Ų | 217 | 130 Ų | 130 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | 92 | 170.4 | 84.9 | -81.9 | -154.8 | -171.2 | -176.1 | 0.3 | 113.9 | |||||
| 1024 | P | 54.6 | Low | 32.4 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | -135 | -166.8 | -83.8 | 37.6 | -15.2 | 0 | 0 | 0 | 115.8 | |||||
| 1025 | V | 30 | Very low | 32.3 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | trans | 128.3 | 116.1 | 148.7 | 175.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1026 | K | 34.3 | Very low | 32.3 | Very low | 193 Ų | 193 | 136 Ų | 136 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 36.8 | 154 | 143 | -60.4 | 175.5 | -172.2 | 175.4 | 0 | 123.3 | ||||
| 1027 | S | 30.5 | Very low | 32.7 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | 176.5 | 130.5 | -26.1 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1028 | V | 27.1 | Very low | 32.8 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 96% | 0.964 | 79% | 0.793 | S | S | * | * | trans | -144.6 | 172.6 | 164.4 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1029 | K | 32.2 | Very low | 32.8 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -112.8 | 163.3 | -155.7 | -83.4 | -176.9 | 174.1 | 178.8 | 0 | 118 | ||||
| 1030 | M | 31.3 | Very low | 33 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | 70.1 | 135.7 | 156.4 | -65.7 | -85.4 | -172.2 | 0 | 0 | 117.3 | ||||
| 1031 | A | 28.4 | Very low | 34 | Very low | 89 Ų | 89 | 142.6 Ų | 142.6 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | cis | -166.5 | 167.3 | 37 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1032 | A | 31.7 | Very low | 33.9 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | 58.5 | 132.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1033 | P | 36.6 | Very low | 34.5 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -102.9 | 160.9 | 175.4 | 39.2 | -34.1 | 0 | 0 | 0 | 115.1 | ||||
| 1034 | V | 31.6 | Very low | 34.5 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -131.2 | 154.8 | 174.2 | 178 | 0 | 0 | 0 | 0 | 111 | ||||
| 1035 | K | 33.6 | Very low | 33.3 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 155.4 | -170.4 | -67 | 179.1 | 176.8 | 178.9 | 0 | 115.4 | ||
| 1036 | P | 38.9 | Very low | 33.4 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 158 | 164.4 | 36.7 | -35 | 0 | 0 | 0 | 113.1 | ||
| 1037 | P | 38.4 | Very low | 33.9 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 168.6 | 158.5 | 36.5 | -32.4 | 0 | 0 | 0 | 110.9 | ||
| 1038 | A | 32 | Very low | 34.1 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | cis | 163.2 | 111 | -26.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1039 | T | 31.6 | Very low | 34.3 | Very low | 149 Ų | 149 | 147 Ų | 147 | 91% | 0.914 | 82% | 0.824 | S | S | * | * | trans | -104.5 | 163.1 | 177.9 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1040 | R | 33.8 | Very low | 34.2 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -143.1 | 165.2 | -175.5 | -131.6 | -156.8 | 164.7 | -164.9 | -3.1 | 110.3 | ||||
| 1041 | P | 49.7 | Very low | 34.2 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 69% | 0.688 | 82% | 0.821 | S | S | * | * | -127.8 | 178.2 | -89.4 | 41.8 | -28.6 | 0 | 0 | 0 | 114.1 | |||||
| 1042 | K | 28.5 | Very low | 34.2 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -114.7 | 158.3 | 158.2 | -91.1 | -176.4 | 176 | 178.9 | 0 | 110.5 | ||||
| 1043 | P | 39.7 | Very low | 34.2 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -81.4 | 160.9 | -165.3 | 32.1 | -36.8 | 0 | 0 | 0 | 115.1 | ||||
| 1044 | T | 31.1 | Very low | 34.8 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -93.5 | 156.7 | -175.8 | 16 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1045 | V | 28.4 | Very low | 34.7 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -124.4 | 139.1 | 162.6 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1046 | F | 32.9 | Very low | 34.5 | Very low | 184 Ų | 184 | 138 Ų | 138 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 151 | -177.3 | -85 | -91.2 | 0 | 0 | 0 | 113.3 | ||
| 1047 | P | 44.7 | Very low | 34.1 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 172.3 | 176.5 | 35.9 | -36 | 0 | 0 | 0 | 114.1 | ||
| 1048 | K | 34.6 | Very low | 33.8 | Very low | 196 Ų | 196 | 138.5 Ų | 138.5 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 152.6 | -174.8 | -60.5 | 176.6 | 178.3 | 178 | 0 | 114.4 | ||
| 1049 | T | 31.5 | Very low | 33.7 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -141.9 | 165.9 | 145 | 42 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1050 | N | 29.4 | Very low | 33.6 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -103.2 | 147 | -169.2 | -65.8 | -23.9 | 0 | 0 | 0 | 113.7 | ||||
| 1051 | A | 30.5 | Very low | 33.7 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -162 | 125.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1052 | T | 29.1 | Very low | 33.5 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | trans | 44.8 | 161.5 | 151.4 | 25.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1053 | S | 30.7 | Very low | 33.8 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -120.7 | -168.8 | -178 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1054 | P | 51.1 | Low | 33.4 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | cis | -135.8 | 178.5 | -8.9 | 41 | -23.6 | 0 | 0 | 0 | 116.4 | ||||
| 1055 | G | 27.8 | Very low | 33.7 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | 103 | 164.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1056 | V | 31.1 | Very low | 34 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | cis | -175.8 | 154.7 | -27.6 | 122.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 1057 | N | 28.9 | Very low | 34.3 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 68.8 | 126.9 | 174.1 | -69.8 | -9.8 | 0 | 0 | 0 | 116.8 | ||||
| 1058 | S | 32.2 | Very low | 34.1 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | 99.9 | 144.4 | 65.5 | 86.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1059 | S | 30.4 | Very low | 33.9 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | cis | -162.5 | 179.9 | 10 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1060 | T | 29.6 | Very low | 34.4 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | 67.8 | 124.2 | 148.9 | 39.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1061 | S | 35.5 | Very low | 34.9 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -94.4 | 179 | 156.7 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1062 | P | 46.6 | Very low | 35.1 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | -122.6 | 156.5 | 78.9 | 3.4 | 20.1 | 0 | 0 | 0 | 112.9 | |||||
| 1063 | Q | 34.5 | Very low | 35.4 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | 69.1 | 142.8 | 61.7 | -92.9 | -178.2 | -19.9 | 0 | 0 | 114.6 | |||||
| 1064 | S | 30.6 | Very low | 35.7 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | cis | -156.4 | 168.7 | 5.4 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1065 | T | 37.3 | Very low | 34.7 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -96.1 | 159.9 | 178.5 | 50 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1066 | D | 34.5 | Very low | 35.2 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 42.9 | 131.6 | 151.7 | -70.2 | -41.3 | 0 | 0 | 0 | 122.2 | ||||
| 1067 | K | 38.7 | Very low | 35.4 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | -176 | 124.8 | 105.3 | -102 | 170.5 | -175.6 | 179.6 | 0 | 117.3 | |||||
| 1068 | S | 40.8 | Very low | 35.9 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | 63 | 128.7 | 132.3 | 68.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1069 | C | 31.1 | Very low | 36.2 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 97 | 127.6 | 134.7 | -75 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1070 | T | 41.5 | Very low | 36.7 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | trans | 61.4 | 141.1 | 161 | 48.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1071 | V | 39.5 | Very low | 37.3 | Very low | 212 Ų | 212 | 138.6 Ų | 138.6 | 100% | 1.285 | 82% | 0.817 | S | S | * | * | cis | -105 | 0 | 8.9 | 175.9 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 1,071 of 1,071 residues in 156.1 ms
(Link to these results)