| 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 | 47.1 | Very low | 144 Ų | 144 | 94.4 Ų | 94.4 | 71% | 0.709 | 49% | 0.485 | S | S | * | . | 0 | 164.1 | 0 | -72.1 | -176.7 | 171.6 | 0 | 0 | 108.4 | E481 | M1-E481 WeakPolarHBondContact CA-OE2 3.27Å; M1-E481 PolarHBondContact N-OE2 3.42Å | |||
| 2 | P | 46.3 | Very low | 47.2 | Very low | 104 Ų | 104 | 97.6 Ų | 97.6 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | trans | -61.5 | 140.4 | 156.1 | 28.6 | -33.8 | 0 | 0 | 0 | 108.9 | K4 | P2-K4 PolarHBondContact O-N 2.99Š| ||
| 3 | I | 52.5 | Low | 47.7 | Very low | 52 Ų | 52 | 94.1 Ų | 94.1 | 27% | 0.267 | 49% | 0.49 | S | S | . | . | trans | -44.2 | 128.2 | 170.4 | -63.1 | 168.5 | 0 | 0 | 0 | 108.4 | R5 R478 | I3-R5 PolarHBondContact O-N 2.92Å; I3-R478 HydrophobicContact CG1-CG 4.38Å | ||
| 4 | K | 52.9 | Low | 48.4 | Very low | 144 Ų | 144 | 93.9 Ų | 93.9 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | trans | -47.4 | 100.3 | 175.4 | -101 | -159.6 | 165 | -151.7 | 0 | 109.7 | P2 G6 D414 | P2-K4 PolarHBondContact O-N 2.99Å; K4-G6 PolarHBondContact O-N 3.27Å; K4-D414 IonicContact NZ-OD1 2.79Å; K4-D414 PolarHBondContact NZ-OD1 3.14Å; K4-D414 IonicContact NZ-OD2 3.42Å; K4-D414 PolarHBondContact NZ-OD2 3.04Å | ||
| 5 | R | 56.5 | Low | 49.7 | Very low | 174 Ų | 174 | 92 Ų | 92 | 66% | 0.657 | 47% | 0.474 | S | S | * | . | trans | -78.9 | 103.7 | 169 | -62.2 | 180 | -170.3 | 165.9 | 3.8 | 104.4 | I3 H7 Y330 | I3-R5 PolarHBondContact O-N 2.92Å; R5-H7 PolarHBondContact O-N 3.36Å; R5-Y330 HydrophobicContact CG-CD2 4.38Å; R5-Y330 HydrophobicContact CG-CG 4.26Å | ||
| 6 | G | 47.4 | Very low | 50.5 | Low | 7 Ų | 7 | 92 Ų | 92 | 7% | 0.072 | 48% | 0.475 | C | S | . | . | trans | -48.3 | 138.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | K4 V8 D414 | K4-G6 PolarHBondContact O-N 3.27Å; G6-V8 PolarHBondContact O-N 3.3Å; G6-D414 CarbonylContact C-O 3.52Å; G6-D414 WeakPolarHBondContact CA-O 3.32Å | ||
| 7 | H | 48 | Very low | 51.3 | Low | 121 Ų | 121 | 90 Ų | 90 | 56% | 0.56 | 47% | 0.468 | S | S | * | . | trans | -57.8 | 114 | 179.9 | -84.3 | -95.4 | 0 | 0 | 0 | 108.8 | R5 A9 D414 | R5-H7 PolarHBondContact O-N 3.36Å; H7-A9 PolarHBondContact O-N 2.82Å; H7-D414 PolarHBondContact N-O 3.26Å | ||
| 8 | V | 49.8 | Very low | 52.2 | Low | 70 Ų | 70 | 86.4 Ų | 86.4 | 42% | 0.424 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 118.3 | 165.1 | 177.9 | 0 | 0 | 0 | 0 | 105.9 | G6 P320 L416 | G6-V8 PolarHBondContact O-N 3.3Å; V8-P320 HydrophobicContact CB-CG 4.47Å; V8-P320 HydrophobicContact CG1-CB 3.98Å; V8-P320 HydrophobicContact CG1-CG 3.73Å; V8-P320 HydrophobicContact CG2-CG 3.87Å; V8-L416 HydrophobicContact CG2-CD2 4.43Å |
| 9 | A | 45 | Very low | 53.3 | Low | 57 Ų | 57 | 83.2 Ų | 83.2 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 127.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | H7 T13 | H7-A9 PolarHBondContact O-N 2.82Å; A9-T13 HydrophobicContact CB-CG2 4.26Å |
| 10 | P | 45.1 | Very low | 54.2 | Low | 58 Ų | 58 | 86.2 Ų | 86.2 | 38% | 0.377 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 144.7 | -176.5 | 24.6 | -33 | 0 | 0 | 0 | 111 | N12 T13 L235 | P10-N12 PolarHBondContact O-N 3.5Å; P10-T13 WeakPolarHBondContact O-CB 3.3Å; P10-T13 WeakPolarHBondContact O-CG2 3.36Å; P10-T13 PolarHBondContact O-N 3.15Å; P10-T13 VanDerWaalsContact O-N 3.12Å; P10-T13 PolarHBondContact O-OG1 3.42Å; P10-L235 HydrophobicContact CG-CD1 3.7Å; P10-L235 HydrophobicContact CG-CD2 3.87Å; P10-L235 HydrophobicContact CG-CG 4.48Å |
| 11 | Q | 43.2 | Very low | 54.8 | Low | 107 Ų | 107 | 86.3 Ų | 86.3 | 50% | 0.5 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -12.1 | -169.6 | -67.9 | 178.7 | -11.3 | 0 | 0 | 114.8 | T13 F14 | Q11-T13 PolarHBondContact O-N 2.95Å; Q11-F14 PolarHBondContact O-N 2.99Å; Q11-F14 VanDerWaalsContact O-N 3.16Å |
| 12 | N | 48 | Very low | 56.7 | Low | 133 Ų | 133 | 80.5 Ų | 80.5 | 71% | 0.711 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20 | 170.2 | -67.1 | 7 | 0 | 0 | 0 | 113 | P10 F14 I15 | P10-N12 PolarHBondContact O-N 3.5Å; N12-F14 PolarHBondContact O-N 3.45Å; N12-I15 PolarHBondContact O-N 3.31Å |
| 13 | T | 53.6 | Low | 58 | Low | 52 Ų | 52 | 78.1 Ų | 78.1 | 32% | 0.319 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -49.3 | -13.8 | 168.5 | 42 | 0 | 0 | 0 | 0 | 115.3 | A9 P10 Q11 I15 D16 T17 | A9-T13 HydrophobicContact CB-CG2 4.26Å; P10-T13 WeakPolarHBondContact O-CB 3.3Å; P10-T13 WeakPolarHBondContact O-CG2 3.36Å; P10-T13 PolarHBondContact O-N 3.15Å; P10-T13 VanDerWaalsContact O-N 3.12Å; P10-T13 PolarHBondContact O-OG1 3.42Å; Q11-T13 PolarHBondContact O-N 2.95Å; T13-I15 VanDerWaalsContact C-N 3.34Å; T13-I15 PolarHBondContact O-N 2.88Å; T13-D16 PolarHBondContact O-N 2.89Å; T13-T17 WeakPolarHBondContact O-CB 3.48Å; T13-T17 PolarHBondContact O-N 3.4Å; T13-T17 PolarHBondContact O-OG1 3.46Å |
| 14 | F | 58 | Low | 58.7 | Low | 91 Ų | 91 | 80.3 Ų | 80.3 | 40% | 0.399 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -55.7 | -46.6 | 168.6 | 178.3 | -96.2 | 0 | 0 | 0 | 112.3 | Q11 N12 L18 V115 | Q11-F14 PolarHBondContact O-N 2.99Å; Q11-F14 VanDerWaalsContact O-N 3.16Å; N12-F14 PolarHBondContact O-N 3.45Å; F14-L18 HydrophobicContact CE1-CD1 4.16Å; F14-L18 HydrophobicContact CZ-CD1 4.07Å; F14-L18 WeakPolarHBondContact O-CB 3.46Å; F14-L18 PolarHBondContact O-N 2.67Å; F14-V115 HydrophobicContact CE1-CG1 4.38Å; F14-V115 HydrophobicContact CZ-CG1 4.45Å |
| 15 | I | 67 | Low | 59.8 | Low | 66 Ų | 66 | 78 Ų | 78 | 34% | 0.338 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.9 | -45.1 | -179.3 | -67.4 | 172.4 | 0 | 0 | 0 | 110 | N12 T13 T17 L18 I19 I31 | N12-I15 PolarHBondContact O-N 3.31Å; T13-I15 VanDerWaalsContact C-N 3.34Å; T13-I15 PolarHBondContact O-N 2.88Å; I15-T17 PolarHBondContact O-N 3.07Å; I15-L18 PolarHBondContact O-N 2.94Å; I15-I19 HydrophobicContact CG2-CD1 3.74Å; I15-I19 HydrophobicContact CG2-CG1 4.39Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.33Å; I15-I19 PolarHBondContact O-N 3Å; I15-I31 HydrophobicContact CG2-CD1 4.44Å |
| 16 | D | 63.3 | Low | 60.6 | Low | 92 Ų | 92 | 71.9 Ų | 71.9 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 178.8 | -57.6 | -49.9 | 0 | 0 | 0 | 112.1 | T13 L18 I19 Q20 | T13-D16 PolarHBondContact O-N 2.89Å; D16-L18 VanDerWaalsContact C-N 3.31Å; D16-L18 PolarHBondContact O-N 3.3Å; D16-I19 PolarHBondContact O-N 2.83Å; D16-Q20 VanDerWaalsContact O-CB 3.26Å; D16-Q20 WeakPolarHBondContact O-CB 3.36Å; D16-Q20 PolarHBondContact O-N 2.86Å |
| 17 | T | 64.1 | Low | 62.2 | Low | 58 Ų | 58 | 75 Ų | 75 | 36% | 0.356 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | T13 I15 K21 | T13-T17 WeakPolarHBondContact O-CB 3.48Å; T13-T17 PolarHBondContact O-N 3.4Å; T13-T17 PolarHBondContact O-OG1 3.46Å; I15-T17 PolarHBondContact O-N 3.07Å; T17-K21 HydrophobicContact CG2-CD 4.18Å; T17-K21 VanDerWaalsContact O-CB 3.31Å; T17-K21 WeakPolarHBondContact O-CB 3.45Å; T17-K21 VanDerWaalsContact O-CG 3.24Å; T17-K21 WeakPolarHBondContact O-CG 3.37Å; T17-K21 PolarHBondContact O-N 2.84Å |
| 18 | L | 67.6 | Low | 64.1 | Low | 25 Ų | 25 | 72.3 Ų | 72.3 | 13% | 0.131 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.5 | -46.6 | 176.6 | -168.3 | 140.9 | 0 | 0 | 0 | 110.8 | F14 I15 D16 Q20 K21 F22 F29 I31 I126 | F14-L18 HydrophobicContact CE1-CD1 4.16Å; F14-L18 HydrophobicContact CZ-CD1 4.07Å; F14-L18 WeakPolarHBondContact O-CB 3.46Å; F14-L18 PolarHBondContact O-N 2.67Å; I15-L18 PolarHBondContact O-N 2.94Å; D16-L18 VanDerWaalsContact C-N 3.31Å; D16-L18 PolarHBondContact O-N 3.3Å; L18-Q20 PolarHBondContact O-N 2.94Å; L18-K21 PolarHBondContact O-N 2.95Å; L18-F22 HydrophobicContact CD2-CD2 3.98Å; L18-F22 HydrophobicContact CD2-CE2 4.12Å; L18-F22 HydrophobicContact CG-CD2 4.06Å; L18-F22 HydrophobicContact CG-CE2 4.03Å; L18-F22 VanDerWaalsContact O-CD2 3.3Å; L18-F22 WeakPolarHBondContact O-CD2 3.48Å; L18-F22 PolarHBondContact O-N 3.39Å; L18-F29 HydrophobicContact CD2-CE2 4.19Å; L18-I31 HydrophobicContact CD2-CD1 4.27Å; L18-I126 HydrophobicContact CD1-CD1 3.55Å; L18-I126 HydrophobicContact CD2-CD1 3.97Å; L18-I126 HydrophobicContact CG-CD1 4.39Å |
| 19 | I | 73.1 | Confident | 66 | Low | 25 Ų | 25 | 69 Ų | 69 | 13% | 0.128 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.9 | -53.9 | 174 | -68.1 | 166.8 | 0 | 0 | 0 | 110 | I15 D16 K21 F22 D23 F29 F43 | I15-I19 HydrophobicContact CG2-CD1 3.74Å; I15-I19 HydrophobicContact CG2-CG1 4.39Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.33Å; I15-I19 PolarHBondContact O-N 3Å; D16-I19 PolarHBondContact O-N 2.83Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.03Å; I19-F22 PolarHBondContact O-N 3.09Å; I19-D23 WeakPolarHBondContact CG2-OD2 3.49Å; I19-D23 WeakPolarHBondContact O-CB 3.11Å; I19-D23 PolarHBondContact O-N 2.75Å; I19-F29 HydrophobicContact CB-CZ 4.47Å; I19-F29 HydrophobicContact CG1-CZ 4.14Å; I19-F43 HydrophobicContact CD1-CD1 4.33Å; I19-F43 HydrophobicContact CD1-CD2 4.07Å; I19-F43 HydrophobicContact CD1-CE1 4.05Å; I19-F43 HydrophobicContact CD1-CE2 3.75Å; I19-F43 HydrophobicContact CD1-CG 4.35Å; I19-F43 HydrophobicContact CD1-CZ 3.75Å; I19-F43 HydrophobicContact CG1-CD1 4.34Å; I19-F43 HydrophobicContact CG1-CE1 3.88Å; I19-F43 HydrophobicContact CG1-CE2 4.44Å; I19-F43 HydrophobicContact CG1-CZ 3.93Å; I19-F43 HydrophobicContact CG2-CE1 4.42Å; I19-F43 HydrophobicContact CG2-CZ 3.95Å |
| 20 | Q | 69.7 | Low | 68.3 | Low | 143 Ų | 143 | 66.3 Ų | 66.3 | 67% | 0.668 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.2 | -35.4 | 179.5 | -167.4 | -179.9 | 41 | 0 | 0 | 113 | D16 L18 S24 | D16-Q20 VanDerWaalsContact O-CB 3.26Å; D16-Q20 WeakPolarHBondContact O-CB 3.36Å; D16-Q20 PolarHBondContact O-N 2.86Å; L18-Q20 PolarHBondContact O-N 2.94Å; Q20-S24 WeakPolarHBondContact O-CB 3.45Å; Q20-S24 PolarHBondContact O-N 3.29Å; Q20-S24 PolarHBondContact O-OG 3.18Å |
| 21 | K | 66.8 | Low | 70.5 | Confident | 90 Ų | 90 | 63.8 Ų | 63.8 | 39% | 0.391 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.8 | -30.7 | 176 | -81.5 | 175.9 | 177.3 | 178.9 | 0 | 114.4 | T17 L18 I19 S24 Q25 M304 | T17-K21 HydrophobicContact CG2-CD 4.18Å; T17-K21 VanDerWaalsContact O-CB 3.31Å; T17-K21 WeakPolarHBondContact O-CB 3.45Å; T17-K21 VanDerWaalsContact O-CG 3.24Å; T17-K21 WeakPolarHBondContact O-CG 3.37Å; T17-K21 PolarHBondContact O-N 2.84Å; L18-K21 PolarHBondContact O-N 2.95Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.03Å; K21-S24 WeakPolarHBondContact CA-OG 3.39Å; K21-S24 PolarHBondContact O-OG 2.87Å; K21-Q25 WeakPolarHBondContact O-CG 3.29Å; K21-Q25 PolarHBondContact O-NE2 3Å; K21-M304 HydrophobicContact CD-SD 4.43Å |
| 22 | F | 72.4 | Confident | 72.7 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -86.3 | -39.8 | 180 | -86.1 | -107.7 | 0 | 0 | 0 | 111.8 | L18 I19 Q25 G26 R27 F29 T128 | L18-F22 HydrophobicContact CD2-CD2 3.98Å; L18-F22 HydrophobicContact CD2-CE2 4.12Å; L18-F22 HydrophobicContact CG-CD2 4.06Å; L18-F22 HydrophobicContact CG-CE2 4.03Å; L18-F22 VanDerWaalsContact O-CD2 3.3Å; L18-F22 WeakPolarHBondContact O-CD2 3.48Å; L18-F22 PolarHBondContact O-N 3.39Å; I19-F22 PolarHBondContact O-N 3.09Å; F22-Q25 CarbonylContact O-C 3.52Å; F22-Q25 PolarHBondContact O-N 2.93Å; F22-Q25 VanDerWaalsContact O-N 3.1Å; F22-G26 PolarHBondContact O-N 2.98Å; F22-R27 HydrophobicContact CD1-CB 3.99Å; F22-R27 HydrophobicContact CD1-CG 4.44Å; F22-R27 PolarHBondContact O-N 2.92Å; F22-F29 HydrophobicContact CB-CD1 3.6Å; F22-F29 HydrophobicContact CB-CE1 3.34Å; F22-F29 HydrophobicContact CB-CG 4.34Å; F22-F29 HydrophobicContact CB-CZ 3.9Å; F22-F29 HydrophobicContact CD1-CB 4.35Å; F22-F29 HydrophobicContact CD1-CD1 4.04Å; F22-F29 HydrophobicContact CD1-CG 4.09Å; F22-F29 HydrophobicContact CG-CD1 4.16Å; F22-F29 HydrophobicContact CG-CE1 4.23Å; F22-F29 HydrophobicContact CG-CG 4.45Å; F22-T128 HydrophobicContact CD1-CG2 4.4Å; F22-T128 HydrophobicContact CE1-CG2 3.74Å |
| 23 | D | 73.8 | Confident | 74.8 | Confident | 54 Ų | 54 | 54 Ų | 54 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 175.4 | -66.6 | -16.3 | 0 | 0 | 0 | 111 | I19 Q25 G26 F29 N45 | I19-D23 WeakPolarHBondContact CG2-OD2 3.49Å; I19-D23 WeakPolarHBondContact O-CB 3.11Å; I19-D23 PolarHBondContact O-N 2.75Å; D23-Q25 PolarHBondContact O-N 3.4Å; D23-G26 PolarHBondContact O-N 2.85Å; D23-F29 WeakPolarHBondContact OD1-CE1 3.38Å; D23-N45 WeakPolarHBondContact OD1-CB 3.28Å; D23-N45 PolarHBondContact OD1-ND2 3.1Å |
| 24 | S | 68.1 | Low | 76.5 | Confident | 97 Ų | 97 | 52.1 Ų | 52.1 | 68% | 0.678 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -9.3 | 172.5 | 57.2 | 0 | 0 | 0 | 0 | 114.8 | Q20 K21 | Q20-S24 WeakPolarHBondContact O-CB 3.45Å; Q20-S24 PolarHBondContact O-N 3.29Å; Q20-S24 PolarHBondContact O-OG 3.18Å; K21-S24 WeakPolarHBondContact CA-OG 3.39Å; K21-S24 PolarHBondContact O-OG 2.87Å |
| 25 | Q | 74.3 | Confident | 77.9 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 2.8 | 171.4 | -68.7 | 178.2 | 51.6 | 0 | 0 | 113 | K21 F22 D23 R27 | K21-Q25 WeakPolarHBondContact O-CG 3.29Å; K21-Q25 PolarHBondContact O-NE2 3Å; F22-Q25 CarbonylContact O-C 3.52Å; F22-Q25 PolarHBondContact O-N 2.93Å; F22-Q25 VanDerWaalsContact O-N 3.1Å; D23-Q25 PolarHBondContact O-N 3.4Å; Q25-R27 HydrophobicContact CB-CG 3.9Å; Q25-R27 PolarHBondContact O-N 3.17Å; Q25-R27 VanDerWaalsContact O-N 3.16Å; Q25-R27 VanDerWaalsContact OE1-CZ 3.22Å |
| 26 | G | 74.8 | Confident | 78.8 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 49% | 0.485 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F22 D23 | F22-G26 PolarHBondContact O-N 2.98Å; D23-G26 PolarHBondContact O-N 2.85Å |
| 27 | R | 79.7 | Confident | 79.9 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 28% | 0.275 | 30% | 0.297 | S | S | . | . | trans | -75.7 | 140.9 | -178.3 | -70.5 | -176.1 | -175.7 | -147 | 4.3 | 109.5 | F22 Q25 N45 | F22-R27 HydrophobicContact CD1-CB 3.99Å; F22-R27 HydrophobicContact CD1-CG 4.44Å; F22-R27 PolarHBondContact O-N 2.92Å; Q25-R27 HydrophobicContact CB-CG 3.9Å; Q25-R27 PolarHBondContact O-N 3.17Å; Q25-R27 VanDerWaalsContact O-N 3.16Å; Q25-R27 VanDerWaalsContact OE1-CZ 3.22Å; R27-N45 PolarHBondContact O-ND2 3.32Å | ||
| 28 | K | 89.4 | Confident | 80.8 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119.9 | 173.6 | -62.9 | 168.1 | -177.8 | -177.7 | 0 | 108.3 | E47 F48 L51 T128 F129 | K28-E47 HydrophobicContact CG-CB 3.73Å; K28-F48 HydrophobicContact CB-CB 4.48Å; K28-L51 HydrophobicContact CD-CB 4.07Å; K28-L51 HydrophobicContact CD-CD2 3.87Å; K28-L51 HydrophobicContact CD-CG 4.47Å; K28-T128 WeakPolarHBondContact O-CA 3.43Å; K28-F129 HydrophobicContact CB-CB 3.96Å; K28-F129 PolarHBondContact O-N 2.87Å |
| 29 | F | 90.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 164.3 | -178.9 | 79.9 | -77.6 | 0 | 0 | 0 | 114.2 | L18 I19 F22 D23 I31 F43 N45 I126 L127 T128 | L18-F29 HydrophobicContact CD2-CE2 4.19Å; I19-F29 HydrophobicContact CB-CZ 4.47Å; I19-F29 HydrophobicContact CG1-CZ 4.14Å; F22-F29 HydrophobicContact CB-CD1 3.6Å; F22-F29 HydrophobicContact CB-CE1 3.34Å; F22-F29 HydrophobicContact CB-CG 4.34Å; F22-F29 HydrophobicContact CB-CZ 3.9Å; F22-F29 HydrophobicContact CD1-CB 4.35Å; F22-F29 HydrophobicContact CD1-CD1 4.04Å; F22-F29 HydrophobicContact CD1-CG 4.09Å; F22-F29 HydrophobicContact CG-CD1 4.16Å; F22-F29 HydrophobicContact CG-CE1 4.23Å; F22-F29 HydrophobicContact CG-CG 4.45Å; D23-F29 WeakPolarHBondContact OD1-CE1 3.38Å; F29-I31 HydrophobicContact CD2-CG1 4.21Å; F29-I31 HydrophobicContact CE2-CD1 4.14Å; F29-I31 HydrophobicContact CE2-CG1 3.94Å; F29-F43 HydrophobicContact CE1-CE1 4.48Å; F29-F43 HydrophobicContact CE2-CD1 4.03Å; F29-F43 AromaticContact CE2-CE1 3.9Å; F29-F43 HydrophobicContact CE2-CE1 3.9Å; F29-F43 HydrophobicContact CZ-CD1 4.26Å; F29-F43 AromaticContact CZ-CE1 3.66Å; F29-F43 HydrophobicContact CZ-CE1 3.66Å; F29-N45 HydrophobicContact CD1-CB 4.18Å; F29-N45 VanDerWaalsContact CD1-ND2 3.28Å; F29-N45 WeakPolarHBondContact CD1-ND2 3.43Å; F29-N45 HydrophobicContact CE1-CB 3.78Å; F29-N45 VanDerWaalsContact CE1-ND2 3.28Å; F29-N45 WeakPolarHBondContact CE1-ND2 3.36Å; F29-N45 HydrophobicContact CZ-CB 4.36Å; F29-N45 PolarHBondContact N-OD1 3.31Å; F29-N45 VanDerWaalsContact N-OD1 3.1Å; F29-N45 PolarHBondContact O-N 3.4Å; F29-N45 PolarHBondContact O-OD1 2.84Å; F29-I126 HydrophobicContact CD2-CG2 4.47Å; F29-L127 CarbonylContact C-O 3.52Å; F29-L127 WeakPolarHBondContact CA-O 3.39Å; F29-L127 WeakPolarHBondContact CB-O 3.18Å; F29-T128 HydrophobicContact CB-CG2 4.01Å |
| 30 | L | 92 | Very high | 82.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 161.4 | 169.2 | 69.3 | 79.1 | 0 | 0 | 0 | 110.7 | A32 I41 F43 C44 F48 L66 I126 L127 F129 | L30-A32 HydrophobicContact CD1-CB 4.44Å; L30-I41 HydrophobicContact CB-CG2 4.2Å; L30-I41 HydrophobicContact CD1-CG1 3.99Å; L30-I41 HydrophobicContact CD1-CG2 4.27Å; L30-I41 HydrophobicContact CD2-CD1 3.88Å; L30-I41 HydrophobicContact CD2-CG1 4.23Å; L30-F43 CarbonylContact C-O 3.54Å; L30-F43 VanDerWaalsContact CA-O 3.26Å; L30-F43 WeakPolarHBondContact CA-O 3.38Å; L30-F43 VanDerWaalsContact CB-O 3.28Å; L30-F43 WeakPolarHBondContact CB-O 3.26Å; L30-C44 HydrophobicContact CB-CB 3.85Å; L30-F48 HydrophobicContact CD2-CE1 3.99Å; L30-F48 HydrophobicContact CD2-CE2 4.42Å; L30-F48 HydrophobicContact CD2-CZ 3.9Å; L30-L66 HydrophobicContact CD2-CD2 3.89Å; L30-I126 WeakPolarHBondContact O-CA 3.41Å; L30-L127 HydrophobicContact CD1-CB 3.93Å; L30-L127 HydrophobicContact CD1-CD1 3.92Å; L30-L127 HydrophobicContact CD1-CG 4.36Å; L30-L127 HydrophobicContact CG-CB 3.99Å; L30-L127 PolarHBondContact N-O 2.83Å; L30-L127 PolarHBondContact O-N 3.18Å; L30-F129 HydrophobicContact CD2-CE2 3.86Å; L30-F129 HydrophobicContact CD2-CZ 3.92Å; L30-F129 HydrophobicContact CG-CE2 3.99Å; L30-F129 HydrophobicContact CG-CZ 4.39Å |
| 31 | I | 90.9 | Very high | 84 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.9 | 173.2 | -48.1 | 176.9 | 0 | 0 | 0 | 107.9 | I15 L18 F29 I42 F43 L124 Y125 | I15-I31 HydrophobicContact CG2-CD1 4.44Å; L18-I31 HydrophobicContact CD2-CD1 4.27Å; F29-I31 HydrophobicContact CD2-CG1 4.21Å; F29-I31 HydrophobicContact CE2-CD1 4.14Å; F29-I31 HydrophobicContact CE2-CG1 3.94Å; I31-I42 HydrophobicContact CB-CG1 4.25Å; I31-I42 HydrophobicContact CG2-CD1 4.12Å; I31-I42 HydrophobicContact CG2-CG1 4.12Å; I31-I42 WeakPolarHBondContact O-CG1 3.3Å; I31-I42 PolarHBondContact O-N 3.14Å; I31-F43 HydrophobicContact CB-CB 4.2Å; I31-F43 HydrophobicContact CD1-CB 4.43Å; I31-F43 HydrophobicContact CD1-CD1 4.29Å; I31-F43 HydrophobicContact CG1-CB 4.39Å; I31-F43 HydrophobicContact CG1-CD1 4.29Å; I31-F43 PolarHBondContact N-O 3.04Å; I31-F43 PolarHBondContact O-N 2.85Å; I31-F43 VanDerWaalsContact O-N 3.07Å; I31-L124 HydrophobicContact CG2-CB 4.14Å; I31-L124 HydrophobicContact CG2-CD1 4.15Å; I31-L124 HydrophobicContact CG2-CD2 4.2Å; I31-L124 HydrophobicContact CG2-CG 4.41Å; I31-Y125 CarbonylContact C-O 3.57Å; I31-Y125 VanDerWaalsContact CA-O 3.31Å; I31-Y125 WeakPolarHBondContact CA-O 3.36Å |
| 32 | A | 91.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 152.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L30 P40 I41 A64 L124 Y125 | L30-A32 HydrophobicContact CD1-CB 4.44Å; A32-P40 CarbonylContact C-O 3.06Å; A32-P40 VanDerWaalsContact CA-O 3.25Å; A32-P40 WeakPolarHBondContact CA-O 3.37Å; A32-P40 WeakPolarHBondContact CB-O 3.45Å; A32-I41 HydrophobicContact CB-CG1 4.44Å; A32-A64 HydrophobicContact CB-CB 3.72Å; A32-L124 CarbonylContact O-C 3.58Å; A32-L124 VanDerWaalsContact O-CA 3.29Å; A32-L124 WeakPolarHBondContact O-CA 3.36Å; A32-Y125 PolarHBondContact N-O 3.16Å; A32-Y125 PolarHBondContact O-N 3.31Å |
| 33 | N | 90.6 | Very high | 86 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 124.9 | 173.7 | -174.1 | -13.7 | 0 | 0 | 0 | 109.2 | V35 L36 A39 P40 I42 R123 | N33-V35 WeakPolarHBondContact OD1-CB 3.49Å; N33-V35 PolarHBondContact OD1-N 3.07Å; N33-L36 HydrophobicContact CB-CD1 4.38Å; N33-L36 WeakPolarHBondContact ND2-CD1 3.42Å; N33-L36 WeakPolarHBondContact ND2-CG 3.46Å; N33-A39 VanDerWaalsContact O-CA 3.3Å; N33-A39 WeakPolarHBondContact O-CA 3.42Å; N33-P40 PolarHBondContact N-O 3.4Å; N33-I42 HydrophobicContact CB-CG2 4.02Å; N33-R123 PolarHBondContact OD1-O 2.85Å |
| 34 | A | 88.9 | Confident | 86.8 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -86.6 | -15 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V122 R123 Y125 | A34-V122 HydrophobicContact CB-CB 4.46Å; A34-V122 HydrophobicContact CB-CG1 3.71Å; A34-R123 PolarHBondContact N-O 2.65Å; A34-Y125 HydrophobicContact CB-CD2 3.6Å; A34-Y125 HydrophobicContact CB-CE2 3.65Å; A34-Y125 HydrophobicContact CB-CG 4.43Å |
| 35 | V | 87.6 | Confident | 87.9 | Confident | 85 Ų | 85 | 38.6 Ų | 38.6 | 52% | 0.515 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -81 | -29.4 | -179.2 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | N33 R123 | N33-V35 WeakPolarHBondContact OD1-CB 3.49Å; N33-V35 PolarHBondContact OD1-N 3.07Å; V35-R123 HydrophobicContact CG2-CB 4.47Å; V35-R123 VanDerWaalsContact CG2-CD 3.46Å |
| 36 | L | 87.5 | Confident | 88.6 | Confident | 74 Ų | 74 | 38.3 Ų | 38.3 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -88.1 | 140.5 | -177.8 | -69.2 | 175.2 | 0 | 0 | 0 | 111.7 | N33 A39 P40 | N33-L36 HydrophobicContact CB-CD1 4.38Å; N33-L36 WeakPolarHBondContact ND2-CD1 3.42Å; N33-L36 WeakPolarHBondContact ND2-CG 3.46Å; L36-A39 PolarHBondContact O-N 3.17Å; L36-A39 VanDerWaalsContact O-N 3.12Å; L36-P40 HydrophobicContact CB-CG 3.76Å; L36-P40 HydrophobicContact CD1-CG 3.95Å |
| 37 | P | 85.1 | Confident | 89.3 | Confident | 124 Ų | 124 | 39.3 Ų | 39.3 | 81% | 0.805 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 141.9 | -178.5 | 24.6 | -34.3 | 0 | 0 | 0 | 112 | A39 | P37-A39 PolarHBondContact O-N 3.45Š|
| 38 | G | 84.1 | Confident | 89.9 | Confident | 56 Ų | 56 | 35.9 Ų | 35.9 | 58% | 0.577 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S63 | G38-S63 WeakPolarHBondContact O-CA 3.47Å; G38-S63 VanDerWaalsContact O-CB 3.25Å; G38-S63 WeakPolarHBondContact O-CB 3.14Å; G38-S63 PolarHBondContact O-OG 2.97Å |
| 39 | A | 89.8 | Confident | 90 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | trans | 50.1 | 69 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | N33 L36 P37 A64 Y125 | N33-A39 VanDerWaalsContact O-CA 3.3Å; N33-A39 WeakPolarHBondContact O-CA 3.42Å; L36-A39 PolarHBondContact O-N 3.17Å; L36-A39 VanDerWaalsContact O-N 3.12Å; P37-A39 PolarHBondContact O-N 3.45Å; A39-A64 HydrophobicContact CB-CB 4.03Å; A39-A64 VanDerWaalsContact O-CB 3.29Å; A39-A64 WeakPolarHBondContact O-CB 3.43Å; A39-A64 PolarHBondContact O-N 2.96Å; A39-Y125 HydrophobicContact CB-CD2 4.32Å | ||
| 40 | P | 93.5 | Very high | 90 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 16% | 0.156 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 137.2 | -175.8 | 27.6 | -34.4 | 0 | 0 | 0 | 112.5 | A32 N33 L36 I42 R62 | A32-P40 CarbonylContact C-O 3.06Å; A32-P40 VanDerWaalsContact CA-O 3.25Å; A32-P40 WeakPolarHBondContact CA-O 3.37Å; A32-P40 WeakPolarHBondContact CB-O 3.45Å; N33-P40 PolarHBondContact N-O 3.4Å; L36-P40 HydrophobicContact CB-CG 3.76Å; L36-P40 HydrophobicContact CD1-CG 3.95Å; P40-I42 PolarHBondContact O-N 3.45Å; P40-R62 WeakPolarHBondContact CA-O 3.45Å |
| 41 | I | 93.6 | Very high | 89.9 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 119.9 | 177.9 | -60.3 | 161 | 0 | 0 | 0 | 109.7 | L30 A32 F43 I59 L60 R61 R62 L66 F68 | L30-I41 HydrophobicContact CB-CG2 4.2Å; L30-I41 HydrophobicContact CD1-CG1 3.99Å; L30-I41 HydrophobicContact CD1-CG2 4.27Å; L30-I41 HydrophobicContact CD2-CD1 3.88Å; L30-I41 HydrophobicContact CD2-CG1 4.23Å; A32-I41 HydrophobicContact CB-CG1 4.44Å; I41-F43 WeakPolarHBondContact CG2-O 3.48Å; I41-I59 HydrophobicContact CD1-CG2 4.04Å; I41-I59 HydrophobicContact CG2-CG2 4.11Å; I41-L60 WeakPolarHBondContact O-CA 3.3Å; I41-R61 PolarHBondContact O-N 3.41Å; I41-R62 HydrophobicContact CD1-CB 4.31Å; I41-R62 VanDerWaalsContact CG1-O 3.3Å; I41-R62 WeakPolarHBondContact CG1-O 3.33Å; I41-R62 PolarHBondContact N-O 3.25Å; I41-L66 HydrophobicContact CD1-CD2 4.46Å; I41-F68 HydrophobicContact CD1-CE1 4.19Å; I41-F68 HydrophobicContact CD1-CZ 4.49Å |
| 42 | I | 91 | Very high | 89.9 | Confident | 83 Ų | 83 | 39.1 Ų | 39.1 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -20 | -179.8 | 61.7 | 166.5 | 0 | 0 | 0 | 113 | I31 N33 P40 L60 L124 | I31-I42 HydrophobicContact CB-CG1 4.25Å; I31-I42 HydrophobicContact CG2-CD1 4.12Å; I31-I42 HydrophobicContact CG2-CG1 4.12Å; I31-I42 WeakPolarHBondContact O-CG1 3.3Å; I31-I42 PolarHBondContact O-N 3.14Å; N33-I42 HydrophobicContact CB-CG2 4.02Å; P40-I42 PolarHBondContact O-N 3.45Å; I42-L60 WeakPolarHBondContact O-CD2 3.46Å; I42-L124 HydrophobicContact CD1-CD2 3.64Å |
| 43 | F | 90.7 | Very high | 89.8 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 9% | 0.088 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 147.9 | 175.4 | 179.5 | -91 | 0 | 0 | 0 | 111.1 | I19 F29 L30 I31 I41 N45 | I19-F43 HydrophobicContact CD1-CD1 4.33Å; I19-F43 HydrophobicContact CD1-CD2 4.07Å; I19-F43 HydrophobicContact CD1-CE1 4.05Å; I19-F43 HydrophobicContact CD1-CE2 3.75Å; I19-F43 HydrophobicContact CD1-CG 4.35Å; I19-F43 HydrophobicContact CD1-CZ 3.75Å; I19-F43 HydrophobicContact CG1-CD1 4.34Å; I19-F43 HydrophobicContact CG1-CE1 3.88Å; I19-F43 HydrophobicContact CG1-CE2 4.44Å; I19-F43 HydrophobicContact CG1-CZ 3.93Å; I19-F43 HydrophobicContact CG2-CE1 4.42Å; I19-F43 HydrophobicContact CG2-CZ 3.95Å; F29-F43 HydrophobicContact CE1-CE1 4.48Å; F29-F43 HydrophobicContact CE2-CD1 4.03Å; F29-F43 AromaticContact CE2-CE1 3.9Å; F29-F43 HydrophobicContact CE2-CE1 3.9Å; F29-F43 HydrophobicContact CZ-CD1 4.26Å; F29-F43 AromaticContact CZ-CE1 3.66Å; F29-F43 HydrophobicContact CZ-CE1 3.66Å; L30-F43 CarbonylContact C-O 3.54Å; L30-F43 VanDerWaalsContact CA-O 3.26Å; L30-F43 WeakPolarHBondContact CA-O 3.38Å; L30-F43 VanDerWaalsContact CB-O 3.28Å; L30-F43 WeakPolarHBondContact CB-O 3.26Å; I31-F43 HydrophobicContact CB-CB 4.2Å; I31-F43 HydrophobicContact CD1-CB 4.43Å; I31-F43 HydrophobicContact CD1-CD1 4.29Å; I31-F43 HydrophobicContact CG1-CB 4.39Å; I31-F43 HydrophobicContact CG1-CD1 4.29Å; I31-F43 PolarHBondContact N-O 3.04Å; I31-F43 PolarHBondContact O-N 2.85Å; I31-F43 VanDerWaalsContact O-N 3.07Å; I41-F43 WeakPolarHBondContact CG2-O 3.48Å; F43-N45 HydrophobicContact CE1-CB 4.09Å; F43-N45 HydrophobicContact CZ-CB 4.41Å |
| 44 | C | 90.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 147.2 | 163 | 55.3 | 0 | 0 | 0 | 0 | 109.6 | L30 F48 R56 I59 | L30-C44 HydrophobicContact CB-CB 3.85Å; C44-F48 HydrophobicContact CB-CD1 3.87Å; C44-R56 VanDerWaalsContact O-CZ 3.3Å; C44-R56 PolarHBondContact O-NE 2.83Å; C44-R56 PolarHBondContact O-NH2 3.32Å; C44-I59 HydrophobicContact CB-CG2 4.23Å |
| 45 | N | 90 | Very high | 90 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | trans | -85 | 168.3 | 177.1 | 76.9 | -15.6 | 0 | 0 | 0 | 112.7 | D23 R27 F29 F43 E47 F48 C49 | D23-N45 WeakPolarHBondContact OD1-CB 3.28Å; D23-N45 PolarHBondContact OD1-ND2 3.1Å; R27-N45 PolarHBondContact O-ND2 3.32Å; F29-N45 HydrophobicContact CD1-CB 4.18Å; F29-N45 VanDerWaalsContact CD1-ND2 3.28Å; F29-N45 WeakPolarHBondContact CD1-ND2 3.43Å; F29-N45 HydrophobicContact CE1-CB 3.78Å; F29-N45 VanDerWaalsContact CE1-ND2 3.28Å; F29-N45 WeakPolarHBondContact CE1-ND2 3.36Å; F29-N45 HydrophobicContact CZ-CB 4.36Å; F29-N45 PolarHBondContact N-OD1 3.31Å; F29-N45 VanDerWaalsContact N-OD1 3.1Å; F29-N45 PolarHBondContact O-N 3.4Å; F29-N45 PolarHBondContact O-OD1 2.84Å; F43-N45 HydrophobicContact CE1-CB 4.09Å; F43-N45 HydrophobicContact CZ-CB 4.41Å; N45-E47 VanDerWaalsContact C-N 3.29Å; N45-E47 VanDerWaalsContact CG-OE2 3.25Å; N45-E47 PolarHBondContact ND2-OE2 3.21Å; N45-E47 PolarHBondContact O-N 2.87Å; N45-F48 PolarHBondContact O-N 3.29Å; N45-F48 PolarHBondContact OD1-N 3.23Å; N45-C49 PolarHBondContact O-N 2.82Å; N45-C49 VanDerWaalsContact O-N 3.12Å; N45-C49 PolarHBondContact O-SG 3.41Å | ||
| 46 | D | 90.3 | Very high | 90.3 | Very high | 90 Ų | 90 | 43 Ų | 43 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -74.2 | -23.7 | -171.2 | -67.3 | -66.8 | 0 | 0 | 0 | 111.8 | C49 S50 R56 | D46-C49 PolarHBondContact O-N 2.92Å; D46-S50 VanDerWaalsContact O-CB 3.27Å; D46-S50 WeakPolarHBondContact O-CB 3.32Å; D46-S50 PolarHBondContact O-N 3.06Å; D46-S50 PolarHBondContact O-OG 3.12Å; D46-R56 IonicContact OD1-CZ 3.26Å; D46-R56 VanDerWaalsContact OD1-CZ 3.28Å; D46-R56 IonicContact OD1-NH1 3.96Å; D46-R56 PolarHBondContact OD1-NH1 2.85Å; D46-R56 IonicContact OD1-NH2 3.14Å; D46-R56 PolarHBondContact OD1-NH2 3.14Å; D46-R56 VanDerWaalsContact OD1-NH2 3.07Å; D46-R56 IonicContact OD2-CZ 2.7Å; D46-R56 IonicContact OD2-NH1 2.99Å; D46-R56 PolarHBondContact OD2-NH1 3.32Å; D46-R56 IonicContact OD2-NH2 2.77Å; D46-R56 PolarHBondContact OD2-NH2 3.1Å |
| 47 | E | 89.3 | Confident | 90.4 | Very high | 67 Ų | 67 | 43.5 Ų | 43.5 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | 171.2 | -64.6 | 74.8 | -173.8 | 0 | 0 | 111.9 | K28 N45 L51 | K28-E47 HydrophobicContact CG-CB 3.73Å; N45-E47 VanDerWaalsContact C-N 3.29Å; N45-E47 VanDerWaalsContact CG-OE2 3.25Å; N45-E47 PolarHBondContact ND2-OE2 3.21Å; N45-E47 PolarHBondContact O-N 2.87Å; E47-L51 PolarHBondContact O-N 2.64Å |
| 48 | F | 91.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71 | -42.4 | 171.6 | -178.8 | -100.4 | 0 | 0 | 0 | 111.8 | K28 L30 C44 N45 S50 L51 C52 I59 L66 L69 F129 | K28-F48 HydrophobicContact CB-CB 4.48Å; L30-F48 HydrophobicContact CD2-CE1 3.99Å; L30-F48 HydrophobicContact CD2-CE2 4.42Å; L30-F48 HydrophobicContact CD2-CZ 3.9Å; C44-F48 HydrophobicContact CB-CD1 3.87Å; N45-F48 PolarHBondContact O-N 3.29Å; N45-F48 PolarHBondContact OD1-N 3.23Å; F48-S50 VanDerWaalsContact C-N 3.27Å; F48-S50 PolarHBondContact O-N 2.79Å; F48-L51 PolarHBondContact O-N 3.3Å; F48-C52 PolarHBondContact O-N 3.08Å; F48-C52 VanDerWaalsContact O-N 3.14Å; F48-C52 PolarHBondContact O-SG 2.92Å; F48-I59 HydrophobicContact CD1-CD1 4.11Å; F48-I59 HydrophobicContact CE1-CD1 4.08Å; F48-I59 HydrophobicContact CE1-CG2 4.02Å; F48-L66 HydrophobicContact CZ-CD2 4.11Å; F48-L69 HydrophobicContact CZ-CD1 4.08Å; F48-F129 AromaticContact CD2-CD2 3.35Å; F48-F129 HydrophobicContact CD2-CD2 3.35Å; F48-F129 AromaticContact CD2-CE2 3.59Å; F48-F129 HydrophobicContact CD2-CE2 3.59Å; F48-F129 AromaticContact CD2-CG 3.88Å; F48-F129 HydrophobicContact CD2-CG 3.88Å; F48-F129 HydrophobicContact CD2-CZ 4.29Å; F48-F129 AromaticContact CE2-CD1 4Å; F48-F129 HydrophobicContact CE2-CD1 4Å; F48-F129 AromaticContact CE2-CD2 3.46Å; F48-F129 HydrophobicContact CE2-CD2 3.46Å; F48-F129 VanDerWaalsContact CE2-CD2 3.46Å; F48-F129 AromaticContact CE2-CE1 3.89Å; F48-F129 HydrophobicContact CE2-CE1 3.89Å; F48-F129 AromaticContact CE2-CE2 3.34Å; F48-F129 HydrophobicContact CE2-CE2 3.34Å; F48-F129 AromaticContact CE2-CG 3.8Å; F48-F129 HydrophobicContact CE2-CG 3.8Å; F48-F129 AromaticContact CE2-CZ 3.56Å; F48-F129 HydrophobicContact CE2-CZ 3.56Å; F48-F129 HydrophobicContact CG-CD2 4.45Å; F48-F129 HydrophobicContact CZ-CE2 4.14Å; F48-F129 HydrophobicContact CZ-CZ 4.15Å |
| 49 | C | 92 | Very high | 91.1 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.3 | -43.2 | 172.9 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | N45 D46 L51 C52 G53 I59 | N45-C49 PolarHBondContact O-N 2.82Å; N45-C49 VanDerWaalsContact O-N 3.12Å; N45-C49 PolarHBondContact O-SG 3.41Å; D46-C49 PolarHBondContact O-N 2.92Å; C49-L51 VanDerWaalsContact C-N 3.35Å; C49-L51 PolarHBondContact O-N 3.07Å; C49-C52 PolarHBondContact O-N 3.12Å; C49-G53 WeakPolarHBondContact O-CA 3.3Å; C49-G53 PolarHBondContact O-N 3.38Å; C49-I59 HydrophobicContact CB-CD1 4.49Å |
| 50 | S | 89.7 | Confident | 91.2 | Very high | 101 Ų | 101 | 41.2 Ų | 41.2 | 71% | 0.706 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.4 | -29.9 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | D46 F48 | D46-S50 VanDerWaalsContact O-CB 3.27Å; D46-S50 WeakPolarHBondContact O-CB 3.32Å; D46-S50 PolarHBondContact O-N 3.06Å; D46-S50 PolarHBondContact O-OG 3.12Å; F48-S50 VanDerWaalsContact C-N 3.27Å; F48-S50 PolarHBondContact O-N 2.79Å |
| 51 | L | 89.7 | Confident | 91 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 12% | 0.12 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.3 | -49.3 | 174 | 172.2 | 59.6 | 0 | 0 | 0 | 111.8 | K28 E47 F48 C49 F106 F129 V131 | K28-L51 HydrophobicContact CD-CB 4.07Å; K28-L51 HydrophobicContact CD-CD2 3.87Å; K28-L51 HydrophobicContact CD-CG 4.47Å; E47-L51 PolarHBondContact O-N 2.64Å; F48-L51 PolarHBondContact O-N 3.3Å; C49-L51 VanDerWaalsContact C-N 3.35Å; C49-L51 PolarHBondContact O-N 3.07Å; L51-F106 HydrophobicContact CD1-CD2 4.01Å; L51-F106 HydrophobicContact CD1-CE2 3.75Å; L51-F106 HydrophobicContact CD1-CZ 4.05Å; L51-F106 HydrophobicContact CD2-CE2 3.92Å; L51-F106 HydrophobicContact CD2-CZ 4.34Å; L51-F106 HydrophobicContact CG-CE2 3.92Å; L51-F106 HydrophobicContact CG-CZ 3.98Å; L51-F129 HydrophobicContact CD2-CB 4.15Å; L51-V131 HydrophobicContact CD1-CG2 3.57Å; L51-V131 HydrophobicContact CD2-CG2 4Å; L51-V131 HydrophobicContact CG-CG2 4.47Å |
| 52 | C | 90.6 | Very high | 91 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -87.7 | -19.8 | -173 | 65.5 | 0 | 0 | 0 | 0 | 114 | F48 C49 Y54 L69 N100 K101 | F48-C52 PolarHBondContact O-N 3.08Å; F48-C52 VanDerWaalsContact O-N 3.14Å; F48-C52 PolarHBondContact O-SG 2.92Å; C49-C52 PolarHBondContact O-N 3.12Å; C52-Y54 HydrophobicContact CB-CD2 3.96Å; C52-Y54 WeakPolarHBondContact O-CD2 3.46Å; C52-Y54 PolarHBondContact O-N 3.22Å; C52-L69 HydrophobicContact CB-CD1 4.29Å; C52-L69 HydrophobicContact CB-CD2 3.72Å; C52-N100 WeakPolarHBondContact O-CA 3.33Å; C52-N100 WeakPolarHBondContact O-CB 3.49Å; C52-K101 PolarHBondContact O-N 2.89Å |
| 53 | G | 89.4 | Confident | 91 | Very high | 38 Ų | 38 | 52.3 Ų | 52.3 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | trans | 78.4 | -0.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C49 K101 | C49-G53 WeakPolarHBondContact O-CA 3.3Å; C49-G53 PolarHBondContact O-N 3.38Å; G53-K101 WeakPolarHBondContact O-CD 3.48Å | ||
| 54 | Y | 92.7 | Very high | 91.1 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | trans | -84.4 | 145.7 | 172.2 | -65.3 | -93.1 | 0 | 0 | 0 | 110 | C52 Q58 F68 L69 K101 | C52-Y54 HydrophobicContact CB-CD2 3.96Å; C52-Y54 WeakPolarHBondContact O-CD2 3.46Å; C52-Y54 PolarHBondContact O-N 3.22Å; Y54-Q58 HydrophobicContact CD1-CB 4.22Å; Y54-F68 HydrophobicContact CD2-CD2 4.19Å; Y54-F68 HydrophobicContact CD2-CE2 4.3Å; Y54-F68 HydrophobicContact CE2-CD2 4.19Å; Y54-F68 HydrophobicContact CG-CD2 4.43Å; Y54-F68 PolarHBondContact OH-O 2.84Å; Y54-L69 HydrophobicContact CD2-CD2 3.92Å; Y54-L69 HydrophobicContact CE2-CD2 3.65Å; Y54-K101 HydrophobicContact CD1-CD 3.98Å; Y54-K101 HydrophobicContact CD1-CG 4.27Å; Y54-K101 HydrophobicContact CD2-CB 3.97Å; Y54-K101 HydrophobicContact CE1-CB 4.27Å; Y54-K101 HydrophobicContact CE1-CD 4.15Å; Y54-K101 HydrophobicContact CE1-CG 3.95Å; Y54-K101 HydrophobicContact CE2-CB 3.65Å; Y54-K101 HydrophobicContact CE2-CG 4.26Å; Y54-K101 HydrophobicContact CG-CB 4.38Å; Y54-K101 HydrophobicContact CG-CD 4.23Å | ||
| 55 | S | 92.5 | Very high | 91.2 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 43% | 0.427 | 28% | 0.277 | S | S | . | . | trans | -76.6 | 155.1 | 171.6 | 64.6 | 0 | 0 | 0 | 0 | 110.2 | A57 Q58 I59 | S55-A57 PolarHBondContact O-N 2.66Å; S55-A57 VanDerWaalsContact O-N 3.1Å; S55-Q58 WeakPolarHBondContact O-CA 3.44Å; S55-Q58 WeakPolarHBondContact O-CB 3.47Å; S55-Q58 PolarHBondContact O-N 2.71Å; S55-I59 PolarHBondContact O-N 3.19Å | ||
| 56 | R | 92.5 | Very high | 91.2 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -47.1 | -42 | 177.4 | -178.8 | 172.5 | -75.2 | 116.5 | -6.6 | 112.9 | C44 D46 Q58 I59 L60 | C44-R56 VanDerWaalsContact O-CZ 3.3Å; C44-R56 PolarHBondContact O-NE 2.83Å; C44-R56 PolarHBondContact O-NH2 3.32Å; D46-R56 IonicContact OD1-CZ 3.26Å; D46-R56 VanDerWaalsContact OD1-CZ 3.28Å; D46-R56 IonicContact OD1-NH1 3.96Å; D46-R56 PolarHBondContact OD1-NH1 2.85Å; D46-R56 IonicContact OD1-NH2 3.14Å; D46-R56 PolarHBondContact OD1-NH2 3.14Å; D46-R56 VanDerWaalsContact OD1-NH2 3.07Å; D46-R56 IonicContact OD2-CZ 2.7Å; D46-R56 IonicContact OD2-NH1 2.99Å; D46-R56 PolarHBondContact OD2-NH1 3.32Å; D46-R56 IonicContact OD2-NH2 2.77Å; D46-R56 PolarHBondContact OD2-NH2 3.1Å; R56-Q58 VanDerWaalsContact C-N 3.28Å; R56-Q58 PolarHBondContact O-N 2.83Å; R56-I59 PolarHBondContact O-N 3.27Å; R56-I59 VanDerWaalsContact O-N 3.14Å; R56-L60 HydrophobicContact CG-CD1 3.95Å; R56-L60 HydrophobicContact CG-CG 4.18Å; R56-L60 WeakPolarHBondContact O-CG 3.25Å; R56-L60 PolarHBondContact O-N 3.45Å |
| 57 | A | 90.5 | Very high | 91.2 | Very high | 86 Ų | 86 | 52.1 Ų | 52.1 | 71% | 0.711 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.8 | -22.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S55 | S55-A57 PolarHBondContact O-N 2.66Å; S55-A57 VanDerWaalsContact O-N 3.1Å |
| 58 | Q | 91.5 | Very high | 91.3 | Very high | 81 Ų | 81 | 50.8 Ų | 50.8 | 38% | 0.379 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -86.3 | -17.5 | 174.3 | -63.4 | -173 | -57.1 | 0 | 0 | 113 | Y54 S55 R56 R62 | Y54-Q58 HydrophobicContact CD1-CB 4.22Å; S55-Q58 WeakPolarHBondContact O-CA 3.44Å; S55-Q58 WeakPolarHBondContact O-CB 3.47Å; S55-Q58 PolarHBondContact O-N 2.71Å; R56-Q58 VanDerWaalsContact C-N 3.28Å; R56-Q58 PolarHBondContact O-N 2.83Å; Q58-R62 WeakPolarHBondContact O-CG 3.27Å |
| 59 | I | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -95.5 | -38.9 | -177.5 | -60.9 | 164 | 0 | 0 | 0 | 111.1 | I41 C44 F48 C49 S55 R56 R62 F68 | I41-I59 HydrophobicContact CD1-CG2 4.04Å; I41-I59 HydrophobicContact CG2-CG2 4.11Å; C44-I59 HydrophobicContact CB-CG2 4.23Å; F48-I59 HydrophobicContact CD1-CD1 4.11Å; F48-I59 HydrophobicContact CE1-CD1 4.08Å; F48-I59 HydrophobicContact CE1-CG2 4.02Å; C49-I59 HydrophobicContact CB-CD1 4.49Å; S55-I59 PolarHBondContact O-N 3.19Å; R56-I59 PolarHBondContact O-N 3.27Å; R56-I59 VanDerWaalsContact O-N 3.14Å; I59-R62 VanDerWaalsContact O-CB 3.3Å; I59-R62 WeakPolarHBondContact O-CB 3.32Å; I59-R62 PolarHBondContact O-N 3.35Å; I59-F68 HydrophobicContact CG1-CE2 4.22Å; I59-F68 HydrophobicContact CG1-CZ 4.37Å; I59-F68 HydrophobicContact CG2-CZ 4.13Å |
| 60 | L | 91 | Very high | 91.3 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 32% | 0.319 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 148.2 | 175.7 | -70 | 173.3 | 0 | 0 | 0 | 111.5 | I41 I42 R56 R62 | I41-L60 WeakPolarHBondContact O-CA 3.3Å; I42-L60 WeakPolarHBondContact O-CD2 3.46Å; R56-L60 HydrophobicContact CG-CD1 3.95Å; R56-L60 HydrophobicContact CG-CG 4.18Å; R56-L60 WeakPolarHBondContact O-CG 3.25Å; R56-L60 PolarHBondContact O-N 3.45Å; L60-R62 PolarHBondContact O-N 3.01Å |
| 61 | R | 90.1 | Very high | 91.2 | Very high | 168 Ų | 168 | 49.3 Ų | 49.3 | 63% | 0.634 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -1.7 | -172.9 | -60.7 | -172.5 | 178.3 | -154 | 2.6 | 116 | I41 D190 | I41-R61 PolarHBondContact O-N 3.41Å; R61-D190 IonicContact CZ-OD1 3.28Å; R61-D190 IonicContact CZ-OD2 3.07Å; R61-D190 IonicContact NH1-OD1 2.76Å; R61-D190 PolarHBondContact NH1-OD1 3.24Å; R61-D190 IonicContact NH1-OD2 2.7Å; R61-D190 PolarHBondContact NH1-OD2 3.12Å; R61-D190 IonicContact NH2-OD1 3.6Å; R61-D190 PolarHBondContact NH2-OD1 3.14Å; R61-D190 IonicContact NH2-OD2 3.51Å |
| 62 | R | 92.2 | Very high | 91 | Very high | 141 Ų | 141 | 54.5 Ų | 54.5 | 53% | 0.532 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -74.6 | 155.3 | 166.9 | -60.1 | -64.6 | -177.6 | 175.3 | -5.3 | 110.6 | P40 I41 Q58 I59 L60 F68 | P40-R62 WeakPolarHBondContact CA-O 3.45Å; I41-R62 HydrophobicContact CD1-CB 4.31Å; I41-R62 VanDerWaalsContact CG1-O 3.3Å; I41-R62 WeakPolarHBondContact CG1-O 3.33Å; I41-R62 PolarHBondContact N-O 3.25Å; Q58-R62 WeakPolarHBondContact O-CG 3.27Å; I59-R62 VanDerWaalsContact O-CB 3.3Å; I59-R62 WeakPolarHBondContact O-CB 3.32Å; I59-R62 PolarHBondContact O-N 3.35Å; L60-R62 PolarHBondContact O-N 3.01Å; R62-F68 HydrophobicContact CB-CD1 3.85Å; R62-F68 HydrophobicContact CB-CE1 3.76Å; R62-F68 HydrophobicContact CG-CD1 4Å; R62-F68 HydrophobicContact CG-CE1 4.18Å |
| 63 | S | 92.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 140.9 | 174.6 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | G38 A65 L66 | G38-S63 WeakPolarHBondContact O-CA 3.47Å; G38-S63 VanDerWaalsContact O-CB 3.25Å; G38-S63 WeakPolarHBondContact O-CB 3.14Å; G38-S63 PolarHBondContact O-OG 2.97Å; S63-A65 PolarHBondContact O-N 3.07Å; S63-A65 VanDerWaalsContact O-N 3.08Å; S63-A65 WeakPolarHBondContact OG-CB 3.44Å; S63-A65 PolarHBondContact OG-N 2.76Å; S63-A65 VanDerWaalsContact OG-N 3.12Å; S63-L66 PolarHBondContact O-N 3.26Å |
| 64 | A | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -11.8 | 169 | 0 | 0 | 0 | 0 | 0 | 114 | A32 A39 L66 L86 L127 | A32-A64 HydrophobicContact CB-CB 3.72Å; A39-A64 HydrophobicContact CB-CB 4.03Å; A39-A64 VanDerWaalsContact O-CB 3.29Å; A39-A64 WeakPolarHBondContact O-CB 3.43Å; A39-A64 PolarHBondContact O-N 2.96Å; A64-L66 PolarHBondContact O-N 2.9Å; A64-L86 HydrophobicContact CB-CD1 3.89Å; A64-L86 HydrophobicContact CB-CD2 4.01Å; A64-L127 HydrophobicContact CB-CD1 4.23Å; A64-L127 HydrophobicContact CB-CD2 4.46Å; A64-L127 WeakPolarHBondContact O-CD2 3.44Å |
| 65 | A | 91.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -9.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S63 E67 Y70 L82 K83 L86 | S63-A65 PolarHBondContact O-N 3.07Å; S63-A65 VanDerWaalsContact O-N 3.08Å; S63-A65 WeakPolarHBondContact OG-CB 3.44Å; S63-A65 PolarHBondContact OG-N 2.76Å; S63-A65 VanDerWaalsContact OG-N 3.12Å; A65-E67 HydrophobicContact CB-CG 4.21Å; A65-E67 PolarHBondContact O-N 3.25Å; A65-Y70 VanDerWaalsContact O-CE1 3.26Å; A65-Y70 WeakPolarHBondContact O-CE1 3.32Å; A65-Y70 VanDerWaalsContact O-CZ 3.28Å; A65-Y70 PolarHBondContact O-OH 3Å; A65-L82 VanDerWaalsContact O-CD2 3.28Å; A65-L82 WeakPolarHBondContact O-CD2 3.34Å; A65-K83 HydrophobicContact CB-CG 4.02Å; A65-L86 HydrophobicContact CB-CD1 4.25Å |
| 66 | L | 91.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | 63.4 | 31.7 | 173.6 | -54.3 | 169.1 | 0 | 0 | 0 | 115.5 | L30 I41 F48 S63 A64 F68 L69 Y70 L82 I110 F129 | L30-L66 HydrophobicContact CD2-CD2 3.89Å; I41-L66 HydrophobicContact CD1-CD2 4.46Å; F48-L66 HydrophobicContact CZ-CD2 4.11Å; S63-L66 PolarHBondContact O-N 3.26Å; A64-L66 PolarHBondContact O-N 2.9Å; L66-F68 HydrophobicContact CD2-CE1 4.14Å; L66-F68 HydrophobicContact CD2-CZ 4.11Å; L66-F68 PolarHBondContact O-N 3.37Å; L66-L69 HydrophobicContact CB-CB 4.48Å; L66-L69 HydrophobicContact CB-CD1 4.35Å; L66-L69 HydrophobicContact CD2-CD1 4.19Å; L66-L69 PolarHBondContact O-N 2.9Å; L66-Y70 WeakPolarHBondContact O-CD1 3.46Å; L66-Y70 WeakPolarHBondContact O-CE1 3.39Å; L66-L82 HydrophobicContact CD1-CD2 4.2Å; L66-I110 HydrophobicContact CD1-CD1 3.98Å; L66-F129 HydrophobicContact CD1-CE1 3.43Å; L66-F129 VanDerWaalsContact CD1-CE1 3.43Å; L66-F129 HydrophobicContact CD1-CZ 3.68Å; L66-F129 HydrophobicContact CD2-CZ 4.29Å | ||
| 67 | E | 89.6 | Confident | 90.3 | Very high | 102 Ų | 102 | 61.8 Ų | 61.8 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -56.7 | -28.1 | -175.4 | -54.1 | -175.1 | 135.6 | 0 | 0 | 113.6 | A65 L69 Y70 K83 | A65-E67 HydrophobicContact CB-CG 4.21Å; A65-E67 PolarHBondContact O-N 3.25Å; E67-L69 PolarHBondContact O-N 3.17Å; E67-Y70 HydrophobicContact CB-CD2 4.37Å; E67-Y70 HydrophobicContact CB-CE2 4.09Å; E67-Y70 HydrophobicContact CG-CE2 3.92Å; E67-Y70 PolarHBondContact O-N 2.7Å; E67-K83 WeakPolarHBondContact OE1-CE 3.42Å; E67-K83 IonicContact OE1-NZ 2.75Å; E67-K83 PolarHBondContact OE1-NZ 2.83Å |
| 68 | F | 91.2 | Very high | 90.3 | Very high | 40 Ų | 40 | 58 Ų | 58 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -72.9 | -6.3 | 175.3 | 66.6 | -85 | 0 | 0 | 0 | 114.7 | I41 Y54 I59 R62 L66 | I41-F68 HydrophobicContact CD1-CE1 4.19Å; I41-F68 HydrophobicContact CD1-CZ 4.49Å; Y54-F68 HydrophobicContact CD2-CD2 4.19Å; Y54-F68 HydrophobicContact CD2-CE2 4.3Å; Y54-F68 HydrophobicContact CE2-CD2 4.19Å; Y54-F68 HydrophobicContact CG-CD2 4.43Å; Y54-F68 PolarHBondContact OH-O 2.84Å; I59-F68 HydrophobicContact CG1-CE2 4.22Å; I59-F68 HydrophobicContact CG1-CZ 4.37Å; I59-F68 HydrophobicContact CG2-CZ 4.13Å; R62-F68 HydrophobicContact CB-CD1 3.85Å; R62-F68 HydrophobicContact CB-CE1 3.76Å; R62-F68 HydrophobicContact CG-CD1 4Å; R62-F68 HydrophobicContact CG-CE1 4.18Å; L66-F68 HydrophobicContact CD2-CE1 4.14Å; L66-F68 HydrophobicContact CD2-CZ 4.11Å; L66-F68 PolarHBondContact O-N 3.37Å |
| 69 | L | 92.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -108.9 | 2.1 | 174.7 | -56.6 | -175.9 | 0 | 0 | 0 | 112.9 | F48 C52 Y54 L66 E67 L98 C99 | F48-L69 HydrophobicContact CZ-CD1 4.08Å; C52-L69 HydrophobicContact CB-CD1 4.29Å; C52-L69 HydrophobicContact CB-CD2 3.72Å; Y54-L69 HydrophobicContact CD2-CD2 3.92Å; Y54-L69 HydrophobicContact CE2-CD2 3.65Å; L66-L69 HydrophobicContact CB-CB 4.48Å; L66-L69 HydrophobicContact CB-CD1 4.35Å; L66-L69 HydrophobicContact CD2-CD1 4.19Å; L66-L69 PolarHBondContact O-N 2.9Å; E67-L69 PolarHBondContact O-N 3.17Å; L69-L98 HydrophobicContact CB-CB 4.31Å; L69-L98 HydrophobicContact CB-CD1 4.35Å; L69-L98 HydrophobicContact CB-CD2 4.1Å; L69-L98 HydrophobicContact CB-CG 4.49Å; L69-L98 HydrophobicContact CD1-CD1 4.13Å; L69-L98 WeakPolarHBondContact O-CA 3.41Å; L69-C99 PolarHBondContact O-N 3.1Å |
| 70 | Y | 91.7 | Very high | 90.2 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | trans | -74.1 | 154 | 175.4 | -60.5 | -5.2 | 0 | 0 | 0 | 110.6 | A65 L66 E67 T74 I79 L98 | A65-Y70 VanDerWaalsContact O-CE1 3.26Å; A65-Y70 WeakPolarHBondContact O-CE1 3.32Å; A65-Y70 VanDerWaalsContact O-CZ 3.28Å; A65-Y70 PolarHBondContact O-OH 3Å; L66-Y70 WeakPolarHBondContact O-CD1 3.46Å; L66-Y70 WeakPolarHBondContact O-CE1 3.39Å; E67-Y70 HydrophobicContact CB-CD2 4.37Å; E67-Y70 HydrophobicContact CB-CE2 4.09Å; E67-Y70 HydrophobicContact CG-CE2 3.92Å; E67-Y70 PolarHBondContact O-N 2.7Å; Y70-T74 HydrophobicContact CD1-CG2 4.14Å; Y70-T74 HydrophobicContact CG-CG2 4.38Å; Y70-I79 HydrophobicContact CD1-CD1 4.49Å; Y70-I79 HydrophobicContact CD1-CG1 4.33Å; Y70-I79 HydrophobicContact CD2-CD1 3.65Å; Y70-I79 HydrophobicContact CD2-CG1 4.09Å; Y70-I79 HydrophobicContact CE1-CG1 4.04Å; Y70-I79 HydrophobicContact CE2-CB 4.34Å; Y70-I79 HydrophobicContact CE2-CD1 3.75Å; Y70-I79 HydrophobicContact CE2-CG1 3.76Å; Y70-I79 HydrophobicContact CE2-CG2 3.69Å; Y70-I79 HydrophobicContact CG-CD1 4.06Å; Y70-I79 HydrophobicContact CG-CG1 4.38Å; Y70-L98 HydrophobicContact CD1-CD2 4.48Å | ||
| 71 | G | 86.6 | Confident | 90.2 | Very high | 26 Ų | 26 | 62 Ų | 62 | 27% | 0.268 | 32% | 0.32 | S | S | . | . | trans | -160.9 | -171.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S73 T74 | G71-S73 PolarHBondContact O-N 2.94Å; G71-T74 PolarHBondContact N-OG1 3.04Å; G71-T74 PolarHBondContact O-N 3.31Å; G71-T74 PolarHBondContact O-OG1 3.17Å | ||
| 72 | P | 85.3 | Confident | 90.3 | Very high | 132 Ų | 132 | 54.1 Ų | 54.1 | 86% | 0.857 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -4.8 | -167.7 | -25.7 | 35.2 | 0 | 0 | 0 | 116.8 | ||
| 73 | S | 85.5 | Confident | 90.3 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 43% | 0.427 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | 5.8 | 179.5 | -50.8 | 0 | 0 | 0 | 0 | 113.3 | G71 S75 V97 Q105 | G71-S73 PolarHBondContact O-N 2.94Å; S73-S75 PolarHBondContact O-N 2.96Å; S73-V97 WeakPolarHBondContact O-CB 3.35Å; S73-Q105 PolarHBondContact OG-NE2 3.13Å; S73-Q105 PolarHBondContact OG-OE1 3.46Å |
| 74 | T | 88.4 | Confident | 90.2 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.117 | 28% | 0.284 | C | S | . | . | trans | -70.5 | 122.9 | 169.7 | -51 | 0 | 0 | 0 | 0 | 108.9 | Y70 G71 I79 V97 | Y70-T74 HydrophobicContact CD1-CG2 4.14Å; Y70-T74 HydrophobicContact CG-CG2 4.38Å; G71-T74 PolarHBondContact N-OG1 3.04Å; G71-T74 PolarHBondContact O-N 3.31Å; G71-T74 PolarHBondContact O-OG1 3.17Å; T74-I79 HydrophobicContact CG2-CD1 3.79Å; T74-I79 HydrophobicContact CG2-CG1 3.77Å; T74-V97 WeakPolarHBondContact CA-O 3.38Å; T74-V97 VanDerWaalsContact CB-O 3.29Å; T74-V97 WeakPolarHBondContact CB-O 3.48Å; T74-V97 WeakPolarHBondContact CG2-O 3.49Å; T74-V97 PolarHBondContact OG1-O 3.31Å | ||
| 75 | S | 89.7 | Confident | 90.1 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | trans | -76.3 | 134.6 | -176.3 | 72.6 | 0 | 0 | 0 | 0 | 111.2 | S73 A77 S78 I79 | S73-S75 PolarHBondContact O-N 2.96Å; S75-A77 PolarHBondContact O-N 3.17Å; S75-S78 PolarHBondContact O-N 2.89Å; S75-S78 PolarHBondContact O-OG 2.86Å; S75-S78 WeakPolarHBondContact OG-CB 3.18Å; S75-S78 PolarHBondContact OG-N 2.74Å; S75-S78 PolarHBondContact OG-OG 3.12Å; S75-S78 VanDerWaalsContact OG-OG 3.09Å; S75-I79 PolarHBondContact O-N 2.94Å | ||
| 76 | F | 90.2 | Very high | 90.1 | Very high | 166 Ų | 166 | 52.6 Ų | 52.6 | 73% | 0.728 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58 | -31 | 177.7 | -174.1 | -99.6 | 0 | 0 | 0 | 112.6 | I79 K80 | F76-I79 PolarHBondContact O-N 2.96Å; F76-K80 WeakPolarHBondContact O-CB 3.35Å; F76-K80 PolarHBondContact O-N 3.28Å |
| 77 | A | 90.2 | Very high | 90 | Very high | 61 Ų | 61 | 56.4 Ų | 56.4 | 50% | 0.504 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59 | -50.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | S75 I79 K80 D81 | S75-A77 PolarHBondContact O-N 3.17Å; A77-I79 VanDerWaalsContact C-N 3.28Å; A77-I79 PolarHBondContact O-N 3.3Å; A77-K80 PolarHBondContact O-N 2.85Å; A77-K80 VanDerWaalsContact O-N 3.14Å; A77-D81 PolarHBondContact O-N 2.97Å |
| 78 | S | 89.2 | Confident | 89.8 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -33.5 | 178.7 | 68 | 0 | 0 | 0 | 0 | 113.2 | S75 L82 M95 | S75-S78 PolarHBondContact O-N 2.89Å; S75-S78 PolarHBondContact O-OG 2.86Å; S75-S78 WeakPolarHBondContact OG-CB 3.18Å; S75-S78 PolarHBondContact OG-N 2.74Å; S75-S78 PolarHBondContact OG-OG 3.12Å; S75-S78 VanDerWaalsContact OG-OG 3.09Å; S78-L82 WeakPolarHBondContact O-CB 3.29Å; S78-L82 PolarHBondContact O-N 3.1Å; S78-L82 VanDerWaalsContact O-N 3.12Å; S78-M95 WeakPolarHBondContact CB-O 3.39Å |
| 79 | I | 91.1 | Very high | 89.6 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.4 | -46.9 | 173.6 | -66.2 | 169.1 | 0 | 0 | 0 | 110.5 | Y70 T74 S75 F76 A77 L82 K83 | Y70-I79 HydrophobicContact CD1-CD1 4.49Å; Y70-I79 HydrophobicContact CD1-CG1 4.33Å; Y70-I79 HydrophobicContact CD2-CD1 3.65Å; Y70-I79 HydrophobicContact CD2-CG1 4.09Å; Y70-I79 HydrophobicContact CE1-CG1 4.04Å; Y70-I79 HydrophobicContact CE2-CB 4.34Å; Y70-I79 HydrophobicContact CE2-CD1 3.75Å; Y70-I79 HydrophobicContact CE2-CG1 3.76Å; Y70-I79 HydrophobicContact CE2-CG2 3.69Å; Y70-I79 HydrophobicContact CG-CD1 4.06Å; Y70-I79 HydrophobicContact CG-CG1 4.38Å; T74-I79 HydrophobicContact CG2-CD1 3.79Å; T74-I79 HydrophobicContact CG2-CG1 3.77Å; S75-I79 PolarHBondContact O-N 2.94Å; F76-I79 PolarHBondContact O-N 2.96Å; A77-I79 VanDerWaalsContact C-N 3.28Å; A77-I79 PolarHBondContact O-N 3.3Å; I79-L82 PolarHBondContact O-N 3.03Å; I79-K83 PolarHBondContact O-N 2.82Å |
| 80 | K | 91.1 | Very high | 89.1 | Confident | 134 Ų | 134 | 64 Ų | 64 | 58% | 0.583 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 177.1 | -173.4 | 179.8 | 178 | -176.5 | 0 | 111.1 | F76 A77 L82 K83 T84 | F76-K80 WeakPolarHBondContact O-CB 3.35Å; F76-K80 PolarHBondContact O-N 3.28Å; A77-K80 PolarHBondContact O-N 2.85Å; A77-K80 VanDerWaalsContact O-N 3.14Å; K80-L82 VanDerWaalsContact C-N 3.26Å; K80-L82 PolarHBondContact O-N 2.9Å; K80-K83 PolarHBondContact O-N 3.07Å; K80-T84 WeakPolarHBondContact O-CB 3.28Å; K80-T84 PolarHBondContact O-N 3.38Å; K80-T84 PolarHBondContact O-OG1 2.85Å; K80-T84 VanDerWaalsContact O-OG1 3.1Å |
| 81 | D | 91.7 | Very high | 88.9 | Confident | 64 Ų | 64 | 65.2 Ų | 65.2 | 34% | 0.342 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.7 | -38.1 | 179.2 | -82.8 | -49.1 | 0 | 0 | 0 | 112.8 | A77 A85 K92 I94 | A77-D81 PolarHBondContact O-N 2.97Å; D81-A85 WeakPolarHBondContact O-CB 3.26Å; D81-A85 PolarHBondContact O-N 2.84Å; D81-K92 WeakPolarHBondContact OD1-CE 3.35Å; D81-K92 IonicContact OD1-NZ 2.65Å; D81-K92 PolarHBondContact OD1-NZ 3.39Å; D81-I94 HydrophobicContact CB-CD1 4.11Å; D81-I94 HydrophobicContact CB-CG1 4.16Å; D81-I94 HydrophobicContact CB-CG2 4.3Å |
| 82 | L | 91.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72 | -40.2 | 178.7 | -177.8 | 58.6 | 0 | 0 | 0 | 112.3 | A65 L66 S78 I79 K80 L86 I94 I110 V112 L127 | A65-L82 VanDerWaalsContact O-CD2 3.28Å; A65-L82 WeakPolarHBondContact O-CD2 3.34Å; L66-L82 HydrophobicContact CD1-CD2 4.2Å; S78-L82 WeakPolarHBondContact O-CB 3.29Å; S78-L82 PolarHBondContact O-N 3.1Å; S78-L82 VanDerWaalsContact O-N 3.12Å; I79-L82 PolarHBondContact O-N 3.03Å; K80-L82 VanDerWaalsContact C-N 3.26Å; K80-L82 PolarHBondContact O-N 2.9Å; L82-L86 HydrophobicContact CD1-CD1 4.32Å; L82-L86 HydrophobicContact CG-CD1 4.37Å; L82-L86 WeakPolarHBondContact O-CD1 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.3Å; L82-L86 PolarHBondContact O-N 3.4Å; L82-I94 VanDerWaalsContact CA-CD1 3.43Å; L82-I94 HydrophobicContact CB-CD1 3.89Å; L82-I94 HydrophobicContact CD1-CD1 4.01Å; L82-I110 HydrophobicContact CD1-CG2 4.28Å; L82-I110 HydrophobicContact CD2-CD1 4.07Å; L82-V112 HydrophobicContact CD1-CG2 3.6Å; L82-L127 HydrophobicContact CD1-CD2 4.23Å |
| 83 | K | 92 | Very high | 89 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 173.9 | -70.7 | -169.4 | 174.2 | -165.1 | 0 | 111.5 | A65 E67 I79 K80 A85 L86 S87 | A65-K83 HydrophobicContact CB-CG 4.02Å; E67-K83 WeakPolarHBondContact OE1-CE 3.42Å; E67-K83 IonicContact OE1-NZ 2.75Å; E67-K83 PolarHBondContact OE1-NZ 2.83Å; I79-K83 PolarHBondContact O-N 2.82Å; K80-K83 PolarHBondContact O-N 3.07Å; K83-A85 PolarHBondContact O-N 3.45Å; K83-L86 PolarHBondContact O-N 2.86Å; K83-L86 VanDerWaalsContact O-N 3.17Å; K83-S87 PolarHBondContact O-N 2.72Å; K83-S87 PolarHBondContact O-OG 2.68Å |
| 84 | T | 91.2 | Very high | 89.2 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 174.5 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | K80 L86 S87 D88 | K80-T84 WeakPolarHBondContact O-CB 3.28Å; K80-T84 PolarHBondContact O-N 3.38Å; K80-T84 PolarHBondContact O-OG1 2.85Å; K80-T84 VanDerWaalsContact O-OG1 3.1Å; T84-L86 PolarHBondContact O-N 2.62Å; T84-S87 PolarHBondContact O-N 3.09Å; T84-S87 VanDerWaalsContact O-N 3.09Å; T84-D88 WeakPolarHBondContact CG2-OD2 3.18Å; T84-D88 WeakPolarHBondContact O-CB 3.43Å; T84-D88 PolarHBondContact O-N 3.26Å |
| 85 | A | 90.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.1 | -33.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D81 K83 E90 K92 I94 V112 | D81-A85 WeakPolarHBondContact O-CB 3.26Å; D81-A85 PolarHBondContact O-N 2.84Å; K83-A85 PolarHBondContact O-N 3.45Å; A85-E90 PolarHBondContact O-N 2.78Å; A85-K92 HydrophobicContact CB-CB 3.73Å; A85-K92 HydrophobicContact CB-CD 3.99Å; A85-K92 HydrophobicContact CB-CG 4.47Å; A85-I94 HydrophobicContact CB-CD1 4.39Å; A85-V112 HydrophobicContact CB-CB 4.35Å; A85-V112 HydrophobicContact CB-CG1 4.45Å; A85-V112 HydrophobicContact CB-CG2 4.2Å |
| 86 | L | 91 | Very high | 89.1 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -83.6 | -16.2 | 179.2 | -66.9 | 168.2 | 0 | 0 | 0 | 113.5 | A64 A65 L82 K83 T84 V112 Y125 L127 | A64-L86 HydrophobicContact CB-CD1 3.89Å; A64-L86 HydrophobicContact CB-CD2 4.01Å; A65-L86 HydrophobicContact CB-CD1 4.25Å; L82-L86 HydrophobicContact CD1-CD1 4.32Å; L82-L86 HydrophobicContact CG-CD1 4.37Å; L82-L86 WeakPolarHBondContact O-CD1 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.3Å; L82-L86 PolarHBondContact O-N 3.4Å; K83-L86 PolarHBondContact O-N 2.86Å; K83-L86 VanDerWaalsContact O-N 3.17Å; T84-L86 PolarHBondContact O-N 2.62Å; L86-V112 HydrophobicContact CD2-CG1 3.9Å; L86-Y125 VanDerWaalsContact C-OH 3.24Å; L86-Y125 HydrophobicContact CD2-CD1 4.04Å; L86-Y125 HydrophobicContact CD2-CD2 3.82Å; L86-Y125 HydrophobicContact CD2-CE1 4.22Å; L86-Y125 HydrophobicContact CD2-CE2 4.01Å; L86-Y125 HydrophobicContact CD2-CG 3.83Å; L86-Y125 PolarHBondContact O-OH 3.06Å; L86-L127 HydrophobicContact CD2-CD1 4.27Å |
| 87 | S | 88.1 | Confident | 89.1 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -92.3 | -41.3 | 173.8 | -67.7 | 0 | 0 | 0 | 0 | 112.5 | K83 T84 Y89 | K83-S87 PolarHBondContact O-N 2.72Å; K83-S87 PolarHBondContact O-OG 2.68Å; T84-S87 PolarHBondContact O-N 3.09Å; T84-S87 VanDerWaalsContact O-N 3.09Å; S87-Y89 VanDerWaalsContact C-N 3.35Å; S87-Y89 WeakPolarHBondContact O-CD2 3.42Å; S87-Y89 WeakPolarHBondContact O-CE2 3.41Å |
| 88 | D | 86.9 | Confident | 89.2 | Confident | 95 Ų | 95 | 52 Ų | 52 | 51% | 0.508 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.5 | -169.3 | -59.6 | -0.8 | 0 | 0 | 0 | 112.5 | T84 E90 | T84-D88 WeakPolarHBondContact CG2-OD2 3.18Å; T84-D88 WeakPolarHBondContact O-CB 3.43Å; T84-D88 PolarHBondContact O-N 3.26Å; D88-E90 VanDerWaalsContact C-N 3.31Å; D88-E90 HydrophobicContact CB-CG 4.11Å; D88-E90 PolarHBondContact O-N 3.18Å |
| 89 | Y | 86.9 | Confident | 89.2 | Confident | 109 Ų | 109 | 52.5 Ų | 52.5 | 43% | 0.427 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 37 | -178.4 | -54 | -81.1 | 0 | 0 | 0 | 113.9 | S87 P114 V122 Y125 | S87-Y89 VanDerWaalsContact C-N 3.35Å; S87-Y89 WeakPolarHBondContact O-CD2 3.42Å; S87-Y89 WeakPolarHBondContact O-CE2 3.41Å; Y89-P114 WeakPolarHBondContact O-CG 3.45Å; Y89-V122 HydrophobicContact CD1-CB 3.56Å; Y89-V122 HydrophobicContact CD1-CG1 3.93Å; Y89-V122 HydrophobicContact CD1-CG2 3.62Å; Y89-V122 HydrophobicContact CE1-CB 3.94Å; Y89-V122 HydrophobicContact CE1-CG1 4.39Å; Y89-V122 HydrophobicContact CE1-CG2 4.42Å; Y89-V122 HydrophobicContact CG-CB 4.47Å; Y89-V122 HydrophobicContact CG-CG2 4.08Å; Y89-Y125 WeakPolarHBondContact CA-OH 3.5Å; Y89-Y125 AromaticContact CD1-CZ 3.85Å; Y89-Y125 WeakPolarHBondContact CD1-OH 3.32Å |
| 90 | E | 83 | Confident | 89.2 | Confident | 99 Ų | 99 | 52.6 Ų | 52.6 | 46% | 0.463 | 27% | 0.267 | S | S | . | . | trans | -94.5 | 146.9 | -179.8 | -66.7 | -163.4 | 139.7 | 0 | 0 | 113.2 | A85 D88 K92 | A85-E90 PolarHBondContact O-N 2.78Å; D88-E90 VanDerWaalsContact C-N 3.31Å; D88-E90 HydrophobicContact CB-CG 4.11Å; D88-E90 PolarHBondContact O-N 3.18Å; E90-K92 PolarHBondContact O-N 3.33Å | ||
| 91 | E | 86.3 | Confident | 89.1 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 38% | 0.379 | 26% | 0.26 | S | S | . | . | trans | -79.4 | 110.5 | 163.8 | -173.8 | -177.9 | 141.7 | 0 | 0 | 109.2 | V112 S298 | E91-V112 WeakPolarHBondContact CA-O 3.16Å; E91-V112 WeakPolarHBondContact CG-O 3.41Å; E91-S298 VanDerWaalsContact OE1-CB 3.28Å; E91-S298 WeakPolarHBondContact OE1-CB 3.24Å; E91-S298 PolarHBondContact OE1-OG 3.06Å | ||
| 92 | K | 86.1 | Confident | 88.9 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 21% | 0.213 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.7 | -172.6 | -155.5 | 170 | -178 | 177.5 | 0 | 112.4 | D81 A85 E90 I94 V112 | D81-K92 WeakPolarHBondContact OD1-CE 3.35Å; D81-K92 IonicContact OD1-NZ 2.65Å; D81-K92 PolarHBondContact OD1-NZ 3.39Å; A85-K92 HydrophobicContact CB-CB 3.73Å; A85-K92 HydrophobicContact CB-CD 3.99Å; A85-K92 HydrophobicContact CB-CG 4.47Å; E90-K92 PolarHBondContact O-N 3.33Å; K92-I94 HydrophobicContact CB-CD1 4.44Å; K92-I94 HydrophobicContact CD-CD1 4.39Å; K92-I94 HydrophobicContact CD-CG1 4.44Å; K92-I94 HydrophobicContact CG-CD1 4.33Å; K92-I94 HydrophobicContact CG-CG1 4.08Å; K92-V112 PolarHBondContact N-O 3.46Å; K92-V112 PolarHBondContact O-N 3.03Å |
| 93 | V | 89.1 | Confident | 88.5 | Confident | 67 Ų | 67 | 55 Ų | 55 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.8 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | Q109 I110 T111 | V93-Q109 HydrophobicContact CG1-CG 3.55Å; V93-I110 WeakPolarHBondContact CA-O 3.48Å; V93-T111 HydrophobicContact CG2-CG2 3.97Å |
| 94 | I | 88.4 | Confident | 88.3 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 130.8 | -167.5 | -58.4 | 161.8 | 0 | 0 | 0 | 109.4 | D81 L82 A85 K92 Q109 I110 V112 | D81-I94 HydrophobicContact CB-CD1 4.11Å; D81-I94 HydrophobicContact CB-CG1 4.16Å; D81-I94 HydrophobicContact CB-CG2 4.3Å; L82-I94 VanDerWaalsContact CA-CD1 3.43Å; L82-I94 HydrophobicContact CB-CD1 3.89Å; L82-I94 HydrophobicContact CD1-CD1 4.01Å; A85-I94 HydrophobicContact CB-CD1 4.39Å; K92-I94 HydrophobicContact CB-CD1 4.44Å; K92-I94 HydrophobicContact CD-CD1 4.39Å; K92-I94 HydrophobicContact CD-CG1 4.44Å; K92-I94 HydrophobicContact CG-CD1 4.33Å; K92-I94 HydrophobicContact CG-CG1 4.08Å; I94-Q109 WeakPolarHBondContact O-CA 3.29Å; I94-I110 PolarHBondContact N-O 3.07Å; I94-I110 PolarHBondContact O-N 3.41Å; I94-V112 HydrophobicContact CD1-CG2 4.49Å |
| 95 | M | 88.4 | Confident | 88.2 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 36% | 0.36 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 118.4 | 172.3 | -64.2 | -57.2 | -53.6 | 0 | 0 | 109.7 | S78 I107 Q109 | S78-M95 WeakPolarHBondContact CB-O 3.39Å; M95-I107 HydrophobicContact CE-CG2 3.58Å; M95-Q109 HydrophobicContact CE-CB 4.15Å; M95-Q109 HydrophobicContact SD-CB 3.51Å; M95-Q109 VanDerWaalsContact SD-CB 3.51Å; M95-Q109 HydrophobicContact SD-CG 3.71Å |
| 96 | A | 88.2 | Confident | 88.1 | Confident | 6 Ų | 6 | 60 Ų | 60 | 5% | 0.05 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L98 C108 I110 | A96-L98 HydrophobicContact CB-CD2 4.1Å; A96-L98 HydrophobicContact CB-CG 4.25Å; A96-C108 PolarHBondContact N-O 3.49Å; A96-C108 PolarHBondContact O-N 3.19Å; A96-I110 HydrophobicContact CB-CD1 4Å |
| 97 | V | 90.5 | Very high | 88 | Confident | 40 Ų | 40 | 61.6 Ų | 61.6 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 116.3 | 162.9 | -177.8 | 0 | 0 | 0 | 0 | 107 | S73 T74 Q105 I107 | S73-V97 WeakPolarHBondContact O-CB 3.35Å; T74-V97 WeakPolarHBondContact CA-O 3.38Å; T74-V97 VanDerWaalsContact CB-O 3.29Å; T74-V97 WeakPolarHBondContact CB-O 3.48Å; T74-V97 WeakPolarHBondContact CG2-O 3.49Å; T74-V97 PolarHBondContact OG1-O 3.31Å; V97-Q105 HydrophobicContact CG1-CB 4.11Å; V97-Q105 HydrophobicContact CG1-CG 4.48Å; V97-I107 HydrophobicContact CG2-CG1 4.32Å |
| 98 | L | 91.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 152.2 | 180 | -62.8 | -178.3 | 0 | 0 | 0 | 110.4 | L69 Y70 A96 Q105 F106 C108 I110 | L69-L98 HydrophobicContact CB-CB 4.31Å; L69-L98 HydrophobicContact CB-CD1 4.35Å; L69-L98 HydrophobicContact CB-CD2 4.1Å; L69-L98 HydrophobicContact CB-CG 4.49Å; L69-L98 HydrophobicContact CD1-CD1 4.13Å; L69-L98 WeakPolarHBondContact O-CA 3.41Å; Y70-L98 HydrophobicContact CD1-CD2 4.48Å; A96-L98 HydrophobicContact CB-CD2 4.1Å; A96-L98 HydrophobicContact CB-CG 4.25Å; L98-Q105 CarbonylContact O-C 3.54Å; L98-Q105 WeakPolarHBondContact O-CA 3.5Å; L98-F106 HydrophobicContact CB-CE1 3.95Å; L98-F106 HydrophobicContact CB-CE2 3.94Å; L98-F106 HydrophobicContact CB-CZ 3.63Å; L98-F106 HydrophobicContact CD1-CE2 4.22Å; L98-F106 HydrophobicContact CD1-CZ 4.22Å; L98-F106 PolarHBondContact N-O 3.3Å; L98-F106 WeakPolarHBondContact O-CD1 3.49Å; L98-F106 PolarHBondContact O-N 2.77Å; L98-C108 HydrophobicContact CD1-CB 4.14Å; L98-I110 HydrophobicContact CD1-CD1 4.31Å |
| 99 | C | 90.5 | Very high | 88.2 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139.4 | 170.2 | -66.6 | 0 | 0 | 0 | 0 | 110 | L69 | L69-C99 PolarHBondContact O-N 3.1Å |
| 100 | N | 90.5 | Very high | 88.4 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 17% | 0.166 | 27% | 0.273 | C | S | . | . | trans | -86.7 | 170.9 | 167 | 86.9 | -10.9 | 0 | 0 | 0 | 110.7 | C52 S102 G103 N104 F106 | C52-N100 WeakPolarHBondContact O-CA 3.33Å; C52-N100 WeakPolarHBondContact O-CB 3.49Å; N100-S102 PolarHBondContact O-N 3.16Å; N100-S102 WeakPolarHBondContact OD1-CA 3.4Å; N100-S102 VanDerWaalsContact OD1-CB 3.3Å; N100-S102 WeakPolarHBondContact OD1-CB 3.08Å; N100-S102 PolarHBondContact OD1-N 3.34Å; N100-G103 PolarHBondContact O-N 2.8Å; N100-G103 PolarHBondContact OD1-N 2.62Å; N100-N104 PolarHBondContact N-O 3.46Å; N100-N104 WeakPolarHBondContact OD1-CB 3.28Å; N100-N104 PolarHBondContact OD1-N 2.85Å; N100-F106 HydrophobicContact CB-CD1 4.34Å; N100-F106 HydrophobicContact CB-CE1 3.95Å | ||
| 101 | K | 89.7 | Confident | 88.8 | Confident | 102 Ų | 102 | 46 Ų | 46 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19 | 179.3 | -167 | 177.7 | 177.7 | 177.7 | 0 | 114.6 | C52 G53 Y54 | C52-K101 PolarHBondContact O-N 2.89Å; G53-K101 WeakPolarHBondContact O-CD 3.48Å; Y54-K101 HydrophobicContact CD1-CD 3.98Å; Y54-K101 HydrophobicContact CD1-CG 4.27Å; Y54-K101 HydrophobicContact CD2-CB 3.97Å; Y54-K101 HydrophobicContact CE1-CB 4.27Å; Y54-K101 HydrophobicContact CE1-CD 4.15Å; Y54-K101 HydrophobicContact CE1-CG 3.95Å; Y54-K101 HydrophobicContact CE2-CB 3.65Å; Y54-K101 HydrophobicContact CE2-CG 4.26Å; Y54-K101 HydrophobicContact CG-CB 4.38Å; Y54-K101 HydrophobicContact CG-CD 4.23Å |
| 102 | S | 87.4 | Confident | 88.9 | Confident | 95 Ų | 95 | 42.1 Ų | 42.1 | 66% | 0.664 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.8 | 175.3 | -46 | 0 | 0 | 0 | 0 | 113.6 | N100 N104 | N100-S102 PolarHBondContact O-N 3.16Å; N100-S102 WeakPolarHBondContact OD1-CA 3.4Å; N100-S102 VanDerWaalsContact OD1-CB 3.3Å; N100-S102 WeakPolarHBondContact OD1-CB 3.08Å; N100-S102 PolarHBondContact OD1-N 3.34Å; S102-N104 VanDerWaalsContact C-N 3.28Å; S102-N104 PolarHBondContact O-N 2.71Å |
| 103 | G | 82.6 | Confident | 89 | Confident | 55 Ų | 55 | 40.3 Ų | 40.3 | 57% | 0.567 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 78.8 | 2.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | N100 | N100-G103 PolarHBondContact O-N 2.8Å; N100-G103 PolarHBondContact OD1-N 2.62Å |
| 104 | N | 87.5 | Confident | 88.9 | Confident | 104 Ų | 104 | 38.1 Ų | 38.1 | 56% | 0.556 | 22% | 0.218 | S | C | * | . | trans | -76.6 | 128.5 | 178 | -69.8 | -40.5 | 0 | 0 | 0 | 110.3 | N100 S102 | N100-N104 PolarHBondContact N-O 3.46Å; N100-N104 WeakPolarHBondContact OD1-CB 3.28Å; N100-N104 PolarHBondContact OD1-N 2.85Å; S102-N104 VanDerWaalsContact C-N 3.28Å; S102-N104 PolarHBondContact O-N 2.71Å | ||
| 105 | Q | 88.9 | Confident | 88.5 | Confident | 99 Ų | 99 | 38.4 Ų | 38.4 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 140.9 | 175.2 | -62.2 | -173.6 | 1.3 | 0 | 0 | 111.5 | S73 V97 L98 | S73-Q105 PolarHBondContact OG-NE2 3.13Å; S73-Q105 PolarHBondContact OG-OE1 3.46Å; V97-Q105 HydrophobicContact CG1-CB 4.11Å; V97-Q105 HydrophobicContact CG1-CG 4.48Å; L98-Q105 CarbonylContact O-C 3.54Å; L98-Q105 WeakPolarHBondContact O-CA 3.5Å |
| 106 | F | 88.8 | Confident | 88 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145.1 | 172.3 | 62.4 | -83.9 | 0 | 0 | 0 | 111.2 | L51 L98 N100 C108 V131 | L51-F106 HydrophobicContact CD1-CD2 4.01Å; L51-F106 HydrophobicContact CD1-CE2 3.75Å; L51-F106 HydrophobicContact CD1-CZ 4.05Å; L51-F106 HydrophobicContact CD2-CE2 3.92Å; L51-F106 HydrophobicContact CD2-CZ 4.34Å; L51-F106 HydrophobicContact CG-CE2 3.92Å; L51-F106 HydrophobicContact CG-CZ 3.98Å; L98-F106 HydrophobicContact CB-CE1 3.95Å; L98-F106 HydrophobicContact CB-CE2 3.94Å; L98-F106 HydrophobicContact CB-CZ 3.63Å; L98-F106 HydrophobicContact CD1-CE2 4.22Å; L98-F106 HydrophobicContact CD1-CZ 4.22Å; L98-F106 PolarHBondContact N-O 3.3Å; L98-F106 WeakPolarHBondContact O-CD1 3.49Å; L98-F106 PolarHBondContact O-N 2.77Å; N100-F106 HydrophobicContact CB-CD1 4.34Å; N100-F106 HydrophobicContact CB-CE1 3.95Å; F106-C108 HydrophobicContact CD2-CB 3.95Å; F106-C108 HydrophobicContact CE2-CB 3.79Å; F106-V131 HydrophobicContact CB-CG1 4.37Å; F106-V131 HydrophobicContact CD2-CG1 4.4Å; F106-V131 HydrophobicContact CD2-CG2 4.25Å |
| 107 | I | 89.2 | Confident | 87.1 | Confident | 54 Ų | 54 | 42.4 Ų | 42.4 | 28% | 0.277 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120 | 175.2 | -61.7 | 168.7 | 0 | 0 | 0 | 107.9 | M95 V97 V131 N132 F135 | M95-I107 HydrophobicContact CE-CG2 3.58Å; V97-I107 HydrophobicContact CG2-CG1 4.32Å; I107-V131 WeakPolarHBondContact O-CA 3.31Å; I107-N132 HydrophobicContact CB-CB 4.47Å; I107-N132 HydrophobicContact CG2-CB 4.21Å; I107-N132 PolarHBondContact O-N 2.78Å; I107-F135 HydrophobicContact CD1-CB 4.17Å; I107-F135 HydrophobicContact CD1-CD2 4.19Å; I107-F135 HydrophobicContact CD1-CG 4.43Å |
| 108 | C | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.5 | -179.1 | -155.7 | 0 | 0 | 0 | 0 | 111.1 | A96 L98 F106 V130 | A96-C108 PolarHBondContact N-O 3.49Å; A96-C108 PolarHBondContact O-N 3.19Å; L98-C108 HydrophobicContact CD1-CB 4.14Å; F106-C108 HydrophobicContact CD2-CB 3.95Å; F106-C108 HydrophobicContact CE2-CB 3.79Å; C108-V130 CarbonylContact C-O 3.55Å; C108-V130 VanDerWaalsContact CA-O 3.3Å; C108-V130 WeakPolarHBondContact CA-O 3.43Å; C108-V130 PolarHBondContact SG-O 2.97Å |
| 109 | Q | 90 | Very high | 84.5 | Confident | 42 Ų | 42 | 47 Ų | 47 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 123.7 | 158.7 | -171.2 | -179 | -53.1 | 0 | 0 | 108.1 | V93 I94 M95 F129 V130 | V93-Q109 HydrophobicContact CG1-CG 3.55Å; I94-Q109 WeakPolarHBondContact O-CA 3.29Å; M95-Q109 HydrophobicContact CE-CB 4.15Å; M95-Q109 HydrophobicContact SD-CB 3.51Å; M95-Q109 VanDerWaalsContact SD-CB 3.51Å; M95-Q109 HydrophobicContact SD-CG 3.71Å; Q109-F129 WeakPolarHBondContact O-CA 3.4Å; Q109-V130 HydrophobicContact CB-CB 4.32Å; Q109-V130 PolarHBondContact N-O 3.18Å; Q109-V130 PolarHBondContact O-N 2.82Å |
| 110 | I | 90.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.4 | 174.2 | -49.6 | 172.1 | 0 | 0 | 0 | 106.7 | L66 L82 V93 I94 A96 L98 V112 L127 T128 F129 | L66-I110 HydrophobicContact CD1-CD1 3.98Å; L82-I110 HydrophobicContact CD1-CG2 4.28Å; L82-I110 HydrophobicContact CD2-CD1 4.07Å; V93-I110 WeakPolarHBondContact CA-O 3.48Å; I94-I110 PolarHBondContact N-O 3.07Å; I94-I110 PolarHBondContact O-N 3.41Å; A96-I110 HydrophobicContact CB-CD1 4Å; L98-I110 HydrophobicContact CD1-CD1 4.31Å; I110-V112 HydrophobicContact CG2-CG2 4.45Å; I110-L127 HydrophobicContact CG2-CD2 4.23Å; I110-T128 WeakPolarHBondContact CA-O 3.25Å; I110-F129 HydrophobicContact CB-CE1 4.33Å; I110-F129 HydrophobicContact CD1-CE1 4.35Å; I110-F129 HydrophobicContact CG1-CD1 4.02Å; I110-F129 HydrophobicContact CG1-CE1 3.9Å; I110-F129 HydrophobicContact CG2-CD1 4.33Å; I110-F129 HydrophobicContact CG2-CE1 3.77Å; I110-F129 HydrophobicContact CG2-CZ 4.29Å |
| 111 | T | 90.6 | Very high | 82.9 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 116.6 | 169.1 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | V93 L127 T128 | V93-T111 HydrophobicContact CG2-CG2 3.97Å; T111-L127 WeakPolarHBondContact O-CA 3.43Å; T111-T128 PolarHBondContact N-O 3.39Å; T111-T128 PolarHBondContact O-N 2.89Å |
| 112 | V | 89.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.6 | 173.7 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | L82 A85 L86 E91 K92 I94 I110 Y125 L127 | L82-V112 HydrophobicContact CD1-CG2 3.6Å; A85-V112 HydrophobicContact CB-CB 4.35Å; A85-V112 HydrophobicContact CB-CG1 4.45Å; A85-V112 HydrophobicContact CB-CG2 4.2Å; L86-V112 HydrophobicContact CD2-CG1 3.9Å; E91-V112 WeakPolarHBondContact CA-O 3.16Å; E91-V112 WeakPolarHBondContact CG-O 3.41Å; K92-V112 PolarHBondContact N-O 3.46Å; K92-V112 PolarHBondContact O-N 3.03Å; I94-V112 HydrophobicContact CD1-CG2 4.49Å; I110-V112 HydrophobicContact CG2-CG2 4.45Å; V112-Y125 HydrophobicContact CG1-CD1 3.89Å; V112-Y125 HydrophobicContact CG1-CE1 4.26Å; V112-L127 HydrophobicContact CG1-CD1 4.34Å; V112-L127 HydrophobicContact CG1-CG 4.37Å; V112-L127 HydrophobicContact CG2-CD2 4.24Å; V112-L127 HydrophobicContact CG2-CG 4.14Å |
| 113 | A | 87.5 | Confident | 82.4 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 117.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I126 | A113-I126 PolarHBondContact N-O 3.1Å; A113-I126 PolarHBondContact O-N 3.25Å |
| 114 | P | 87.5 | Confident | 82.6 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 13% | 0.13 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 136.7 | 176 | 30.1 | -33.7 | 0 | 0 | 0 | 112.2 | Y89 V122 Y125 | Y89-P114 WeakPolarHBondContact O-CG 3.45Å; P114-V122 HydrophobicContact CB-CB 4.46Å; P114-V122 HydrophobicContact CB-CG1 3.65Å; P114-V122 HydrophobicContact CB-CG2 3.86Å; P114-Y125 HydrophobicContact CB-CD1 4.06Å; P114-Y125 HydrophobicContact CB-CE1 3.84Å |
| 115 | V | 80.9 | Confident | 82.6 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 121.7 | 177.3 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | F14 V122 R123 L124 I126 | F14-V115 HydrophobicContact CE1-CG1 4.38Å; F14-V115 HydrophobicContact CZ-CG1 4.45Å; V115-V122 WeakPolarHBondContact O-CA 3.48Å; V115-R123 PolarHBondContact O-N 3.22Å; V115-L124 HydrophobicContact CB-CB 4.16Å; V115-L124 HydrophobicContact CG2-CB 4.44Å; V115-L124 PolarHBondContact N-O 3.01Å; V115-L124 PolarHBondContact O-N 2.91Å; V115-I126 HydrophobicContact CG2-CD1 3.5Å; V115-I126 HydrophobicContact CG2-CG1 3.76Å |
| 116 | R | 78 | Confident | 82.7 | Confident | 143 Ų | 143 | 36.8 Ų | 36.8 | 54% | 0.54 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 148.7 | -176.4 | -65 | 173.2 | -172.6 | -90.1 | -1.7 | 112.3 | G120 Q121 V122 | R116-G120 WeakPolarHBondContact CD-O 3.38Å; R116-G120 WeakPolarHBondContact CG-O 3.33Å; R116-G120 PolarHBondContact NH1-O 2.91Å; R116-Q121 CarbonylContact C-O 3.49Å; R116-Q121 VanDerWaalsContact CA-O 3.23Å; R116-Q121 WeakPolarHBondContact CA-O 3.31Å; R116-V122 HydrophobicContact CG-CG2 3.76Å |
| 117 | N | 69.2 | Low | 82.7 | Confident | 20 Ų | 20 | 35.4 Ų | 35.4 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | trans | -78.6 | 177.9 | 158.7 | 68.7 | 6.8 | 0 | 0 | 0 | 110.3 | E119 G120 Q121 R123 P313 | N117-E119 VanDerWaalsContact C-N 3.3Å; N117-E119 VanDerWaalsContact CG-OE1 3.23Å; N117-E119 PolarHBondContact ND2-OE1 3.25Å; N117-E119 PolarHBondContact ND2-OE2 3.49Å; N117-E119 PolarHBondContact O-N 3.24Å; N117-E119 PolarHBondContact OD1-N 2.96Å; N117-G120 WeakPolarHBondContact O-CA 3.49Å; N117-G120 PolarHBondContact O-N 3.41Å; N117-G120 PolarHBondContact OD1-N 3.34Å; N117-Q121 PolarHBondContact N-O 2.95Å; N117-Q121 PolarHBondContact ND2-OE1 2.87Å; N117-Q121 WeakPolarHBondContact OD1-CB 3.39Å; N117-Q121 PolarHBondContact OD1-N 2.93Å; N117-Q121 PolarHBondContact OD1-O 3.46Å; N117-R123 HydrophobicContact CB-CG 4.2Å; N117-R123 PolarHBondContact ND2-NE 2.77Å; N117-P313 HydrophobicContact CB-CG 3.91Å | ||
| 118 | A | 55.7 | Low | 82.7 | Confident | 49 Ų | 49 | 33.8 Ų | 33.8 | 41% | 0.405 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -21.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G120 N312 | A118-G120 PolarHBondContact O-N 3.17Å; A118-G120 VanDerWaalsContact O-N 3.14Å; A118-N312 VanDerWaalsContact CB-CA 3.5Å; A118-N312 HydrophobicContact CB-CB 4.16Å; A118-N312 VanDerWaalsContact CB-OD1 3.26Å; A118-N312 WeakPolarHBondContact CB-OD1 3.49Å |
| 119 | E | 69.8 | Low | 82.8 | Confident | 91 Ų | 91 | 34.1 Ų | 34.1 | 43% | 0.425 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 1.4 | 166.4 | -45.7 | 103.6 | -98.8 | 0 | 0 | 112.6 | N117 Q121 | N117-E119 VanDerWaalsContact C-N 3.3Å; N117-E119 VanDerWaalsContact CG-OE1 3.23Å; N117-E119 PolarHBondContact ND2-OE1 3.25Å; N117-E119 PolarHBondContact ND2-OE2 3.49Å; N117-E119 PolarHBondContact O-N 3.24Å; N117-E119 PolarHBondContact OD1-N 2.96Å; E119-Q121 HydrophobicContact CB-CG 4.12Å; E119-Q121 PolarHBondContact O-N 3.43Å; E119-Q121 PolarHBondContact OE2-NE2 3.41Å; E119-Q121 PolarHBondContact OE2-OE1 3.09Å |
| 120 | G | 72.4 | Confident | 82.7 | Confident | 32 Ų | 32 | 35.9 Ų | 35.9 | 33% | 0.33 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 80.2 | -2.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R116 N117 A118 | R116-G120 WeakPolarHBondContact CD-O 3.38Å; R116-G120 WeakPolarHBondContact CG-O 3.33Å; R116-G120 PolarHBondContact NH1-O 2.91Å; N117-G120 WeakPolarHBondContact O-CA 3.49Å; N117-G120 PolarHBondContact O-N 3.41Å; N117-G120 PolarHBondContact OD1-N 3.34Å; A118-G120 PolarHBondContact O-N 3.17Å; A118-G120 VanDerWaalsContact O-N 3.14Å |
| 121 | Q | 76.3 | Confident | 82.4 | Confident | 85 Ų | 85 | 38.4 Ų | 38.4 | 40% | 0.397 | 20% | 0.204 | S | C | . | . | trans | -74.5 | 132 | -179 | -53.7 | 164.8 | 5.5 | 0 | 0 | 110 | R116 N117 E119 R123 | R116-Q121 CarbonylContact C-O 3.49Å; R116-Q121 VanDerWaalsContact CA-O 3.23Å; R116-Q121 WeakPolarHBondContact CA-O 3.31Å; N117-Q121 PolarHBondContact N-O 2.95Å; N117-Q121 PolarHBondContact ND2-OE1 2.87Å; N117-Q121 WeakPolarHBondContact OD1-CB 3.39Å; N117-Q121 PolarHBondContact OD1-N 2.93Å; N117-Q121 PolarHBondContact OD1-O 3.46Å; E119-Q121 HydrophobicContact CB-CG 4.12Å; E119-Q121 PolarHBondContact O-N 3.43Å; E119-Q121 PolarHBondContact OE2-NE2 3.41Å; E119-Q121 PolarHBondContact OE2-OE1 3.09Å; Q121-R123 PolarHBondContact O-N 3.02Å; Q121-R123 VanDerWaalsContact OE1-CZ 3.3Å | ||
| 122 | V | 82.8 | Confident | 81.6 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.7 | 173.5 | -174.9 | 0 | 0 | 0 | 0 | 109 | A34 Y89 P114 V115 R116 L124 | A34-V122 HydrophobicContact CB-CB 4.46Å; A34-V122 HydrophobicContact CB-CG1 3.71Å; Y89-V122 HydrophobicContact CD1-CB 3.56Å; Y89-V122 HydrophobicContact CD1-CG1 3.93Å; Y89-V122 HydrophobicContact CD1-CG2 3.62Å; Y89-V122 HydrophobicContact CE1-CB 3.94Å; Y89-V122 HydrophobicContact CE1-CG1 4.39Å; Y89-V122 HydrophobicContact CE1-CG2 4.42Å; Y89-V122 HydrophobicContact CG-CB 4.47Å; Y89-V122 HydrophobicContact CG-CG2 4.08Å; P114-V122 HydrophobicContact CB-CB 4.46Å; P114-V122 HydrophobicContact CB-CG1 3.65Å; P114-V122 HydrophobicContact CB-CG2 3.86Å; V115-V122 WeakPolarHBondContact O-CA 3.48Å; R116-V122 HydrophobicContact CG-CG2 3.76Å; V122-L124 WeakPolarHBondContact CG1-O 3.46Å |
| 123 | R | 82.4 | Confident | 80 | Confident | 106 Ų | 106 | 46 Ų | 46 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -27.5 | 178.9 | -64.1 | -62 | -170.5 | 139.9 | 1.5 | 112.7 | N33 A34 V35 V115 N117 Q121 | N33-R123 PolarHBondContact OD1-O 2.85Å; A34-R123 PolarHBondContact N-O 2.65Å; V35-R123 HydrophobicContact CG2-CB 4.47Å; V35-R123 VanDerWaalsContact CG2-CD 3.46Å; V115-R123 PolarHBondContact O-N 3.22Å; N117-R123 HydrophobicContact CB-CG 4.2Å; N117-R123 PolarHBondContact ND2-NE 2.77Å; Q121-R123 PolarHBondContact O-N 3.02Å; Q121-R123 VanDerWaalsContact OE1-CZ 3.3Å |
| 124 | L | 87.8 | Confident | 78 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 154.7 | 178.4 | -58.6 | 172 | 0 | 0 | 0 | 111 | I31 A32 I42 V115 V122 | I31-L124 HydrophobicContact CG2-CB 4.14Å; I31-L124 HydrophobicContact CG2-CD1 4.15Å; I31-L124 HydrophobicContact CG2-CD2 4.2Å; I31-L124 HydrophobicContact CG2-CG 4.41Å; A32-L124 CarbonylContact O-C 3.58Å; A32-L124 VanDerWaalsContact O-CA 3.29Å; A32-L124 WeakPolarHBondContact O-CA 3.36Å; I42-L124 HydrophobicContact CD1-CD2 3.64Å; V115-L124 HydrophobicContact CB-CB 4.16Å; V115-L124 HydrophobicContact CG2-CB 4.44Å; V115-L124 PolarHBondContact N-O 3.01Å; V115-L124 PolarHBondContact O-N 2.91Å; V122-L124 WeakPolarHBondContact CG1-O 3.46Å |
| 125 | Y | 88.2 | Confident | 75.5 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.6 | 164.2 | -76.9 | -71.4 | 0 | 0 | 0 | 109.9 | I31 A32 A34 A39 L86 Y89 V112 P114 | I31-Y125 CarbonylContact C-O 3.57Å; I31-Y125 VanDerWaalsContact CA-O 3.31Å; I31-Y125 WeakPolarHBondContact CA-O 3.36Å; A32-Y125 PolarHBondContact N-O 3.16Å; A32-Y125 PolarHBondContact O-N 3.31Å; A34-Y125 HydrophobicContact CB-CD2 3.6Å; A34-Y125 HydrophobicContact CB-CE2 3.65Å; A34-Y125 HydrophobicContact CB-CG 4.43Å; A39-Y125 HydrophobicContact CB-CD2 4.32Å; L86-Y125 VanDerWaalsContact C-OH 3.24Å; L86-Y125 HydrophobicContact CD2-CD1 4.04Å; L86-Y125 HydrophobicContact CD2-CD2 3.82Å; L86-Y125 HydrophobicContact CD2-CE1 4.22Å; L86-Y125 HydrophobicContact CD2-CE2 4.01Å; L86-Y125 HydrophobicContact CD2-CG 3.83Å; L86-Y125 PolarHBondContact O-OH 3.06Å; Y89-Y125 WeakPolarHBondContact CA-OH 3.5Å; Y89-Y125 AromaticContact CD1-CZ 3.85Å; Y89-Y125 WeakPolarHBondContact CD1-OH 3.32Å; V112-Y125 HydrophobicContact CG1-CD1 3.89Å; V112-Y125 HydrophobicContact CG1-CE1 4.26Å; P114-Y125 HydrophobicContact CB-CD1 4.06Å; P114-Y125 HydrophobicContact CB-CE1 3.84Å |
| 126 | I | 89.4 | Confident | 73.3 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 9% | 0.087 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.8 | 168.2 | -61.3 | 168.6 | 0 | 0 | 0 | 107.6 | L18 F29 L30 A113 V115 T128 | L18-I126 HydrophobicContact CD1-CD1 3.55Å; L18-I126 HydrophobicContact CD2-CD1 3.97Å; L18-I126 HydrophobicContact CG-CD1 4.39Å; F29-I126 HydrophobicContact CD2-CG2 4.47Å; L30-I126 WeakPolarHBondContact O-CA 3.41Å; A113-I126 PolarHBondContact N-O 3.1Å; A113-I126 PolarHBondContact O-N 3.25Å; V115-I126 HydrophobicContact CG2-CD1 3.5Å; V115-I126 HydrophobicContact CG2-CG1 3.76Å; I126-T128 HydrophobicContact CG2-CG2 4.03Å |
| 127 | L | 89.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.9 | 174 | -74.1 | 76.6 | 0 | 0 | 0 | 108.9 | F29 L30 A64 L82 L86 I110 T111 V112 F129 | F29-L127 CarbonylContact C-O 3.52Å; F29-L127 WeakPolarHBondContact CA-O 3.39Å; F29-L127 WeakPolarHBondContact CB-O 3.18Å; L30-L127 HydrophobicContact CD1-CB 3.93Å; L30-L127 HydrophobicContact CD1-CD1 3.92Å; L30-L127 HydrophobicContact CD1-CG 4.36Å; L30-L127 HydrophobicContact CG-CB 3.99Å; L30-L127 PolarHBondContact N-O 2.83Å; L30-L127 PolarHBondContact O-N 3.18Å; A64-L127 HydrophobicContact CB-CD1 4.23Å; A64-L127 HydrophobicContact CB-CD2 4.46Å; A64-L127 WeakPolarHBondContact O-CD2 3.44Å; L82-L127 HydrophobicContact CD1-CD2 4.23Å; L86-L127 HydrophobicContact CD2-CD1 4.27Å; I110-L127 HydrophobicContact CG2-CD2 4.23Å; T111-L127 WeakPolarHBondContact O-CA 3.43Å; V112-L127 HydrophobicContact CG1-CD1 4.34Å; V112-L127 HydrophobicContact CG1-CG 4.37Å; V112-L127 HydrophobicContact CG2-CD2 4.24Å; V112-L127 HydrophobicContact CG2-CG 4.14Å; L127-F129 HydrophobicContact CB-CE2 3.92Å; L127-F129 HydrophobicContact CB-CZ 3.85Å; L127-F129 HydrophobicContact CD2-CZ 4.44Å; L127-F129 WeakPolarHBondContact O-CE2 3.22Å |
| 128 | T | 89.9 | Confident | 68.7 | Low | 19 Ų | 19 | 80.4 Ų | 80.4 | 12% | 0.117 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.1 | -179 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | F22 K28 F29 I110 T111 I126 | F22-T128 HydrophobicContact CD1-CG2 4.4Å; F22-T128 HydrophobicContact CE1-CG2 3.74Å; K28-T128 WeakPolarHBondContact O-CA 3.43Å; F29-T128 HydrophobicContact CB-CG2 4.01Å; I110-T128 WeakPolarHBondContact CA-O 3.25Å; T111-T128 PolarHBondContact N-O 3.39Å; T111-T128 PolarHBondContact O-N 2.89Å; I126-T128 HydrophobicContact CG2-CG2 4.03Å |
| 129 | F | 90 | Very high | 67.7 | Low | 7 Ų | 7 | 88.2 Ų | 88.2 | 3% | 0.031 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.7 | -165.5 | -59.9 | -86.1 | 0 | 0 | 0 | 112.6 | K28 L30 F48 L51 L66 Q109 I110 L127 | K28-F129 HydrophobicContact CB-CB 3.96Å; K28-F129 PolarHBondContact O-N 2.87Å; L30-F129 HydrophobicContact CD2-CE2 3.86Å; L30-F129 HydrophobicContact CD2-CZ 3.92Å; L30-F129 HydrophobicContact CG-CE2 3.99Å; L30-F129 HydrophobicContact CG-CZ 4.39Å; F48-F129 AromaticContact CD2-CD2 3.35Å; F48-F129 HydrophobicContact CD2-CD2 3.35Å; F48-F129 AromaticContact CD2-CE2 3.59Å; F48-F129 HydrophobicContact CD2-CE2 3.59Å; F48-F129 AromaticContact CD2-CG 3.88Å; F48-F129 HydrophobicContact CD2-CG 3.88Å; F48-F129 HydrophobicContact CD2-CZ 4.29Å; F48-F129 AromaticContact CE2-CD1 4Å; F48-F129 HydrophobicContact CE2-CD1 4Å; F48-F129 AromaticContact CE2-CD2 3.46Å; F48-F129 HydrophobicContact CE2-CD2 3.46Å; F48-F129 VanDerWaalsContact CE2-CD2 3.46Å; F48-F129 AromaticContact CE2-CE1 3.89Å; F48-F129 HydrophobicContact CE2-CE1 3.89Å; F48-F129 AromaticContact CE2-CE2 3.34Å; F48-F129 HydrophobicContact CE2-CE2 3.34Å; F48-F129 AromaticContact CE2-CG 3.8Å; F48-F129 HydrophobicContact CE2-CG 3.8Å; F48-F129 AromaticContact CE2-CZ 3.56Å; F48-F129 HydrophobicContact CE2-CZ 3.56Å; F48-F129 HydrophobicContact CG-CD2 4.45Å; F48-F129 HydrophobicContact CZ-CE2 4.14Å; F48-F129 HydrophobicContact CZ-CZ 4.15Å; L51-F129 HydrophobicContact CD2-CB 4.15Å; L66-F129 HydrophobicContact CD1-CE1 3.43Å; L66-F129 VanDerWaalsContact CD1-CE1 3.43Å; L66-F129 HydrophobicContact CD1-CZ 3.68Å; L66-F129 HydrophobicContact CD2-CZ 4.29Å; Q109-F129 WeakPolarHBondContact O-CA 3.4Å; I110-F129 HydrophobicContact CB-CE1 4.33Å; I110-F129 HydrophobicContact CD1-CE1 4.35Å; I110-F129 HydrophobicContact CG1-CD1 4.02Å; I110-F129 HydrophobicContact CG1-CE1 3.9Å; I110-F129 HydrophobicContact CG2-CD1 4.33Å; I110-F129 HydrophobicContact CG2-CE1 3.77Å; I110-F129 HydrophobicContact CG2-CZ 4.29Å; L127-F129 HydrophobicContact CB-CE2 3.92Å; L127-F129 HydrophobicContact CB-CZ 3.85Å; L127-F129 HydrophobicContact CD2-CZ 4.44Å; L127-F129 WeakPolarHBondContact O-CE2 3.22Å |
| 130 | V | 87.9 | Confident | 65.8 | Low | 80 Ų | 80 | 88.8 Ų | 88.8 | 49% | 0.485 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.5 | 174.4 | -175.3 | 0 | 0 | 0 | 0 | 109 | C108 Q109 | C108-V130 CarbonylContact C-O 3.55Å; C108-V130 VanDerWaalsContact CA-O 3.3Å; C108-V130 WeakPolarHBondContact CA-O 3.43Å; C108-V130 PolarHBondContact SG-O 2.97Å; Q109-V130 HydrophobicContact CB-CB 4.32Å; Q109-V130 PolarHBondContact N-O 3.18Å; Q109-V130 PolarHBondContact O-N 2.82Å |
| 131 | V | 84.3 | Confident | 63.8 | Low | 53 Ų | 53 | 93 Ų | 93 | 32% | 0.321 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.2 | -175 | -177 | 0 | 0 | 0 | 0 | 110.2 | L51 F106 I107 | L51-V131 HydrophobicContact CD1-CG2 3.57Å; L51-V131 HydrophobicContact CD2-CG2 4Å; L51-V131 HydrophobicContact CG-CG2 4.47Å; F106-V131 HydrophobicContact CB-CG1 4.37Å; F106-V131 HydrophobicContact CD2-CG1 4.4Å; F106-V131 HydrophobicContact CD2-CG2 4.25Å; I107-V131 WeakPolarHBondContact O-CA 3.31Å |
| 132 | N | 75.2 | Confident | 61.6 | Low | 60 Ų | 60 | 96 Ų | 96 | 32% | 0.321 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131 | 174.5 | -72.6 | -1.9 | 0 | 0 | 0 | 110.1 | I107 | I107-N132 HydrophobicContact CB-CB 4.47Å; I107-N132 HydrophobicContact CG2-CB 4.21Å; I107-N132 PolarHBondContact O-N 2.78Å |
| 133 | S | 55.6 | Low | 59.1 | Low | 111 Ų | 111 | 103.2 Ų | 103.2 | 78% | 0.776 | 52% | 0.523 | S | S | * | . | trans | -105.9 | 2.3 | -162.8 | 51.2 | 0 | 0 | 0 | 0 | 115.9 | F135 | S133-F135 PolarHBondContact O-N 2.89Š| ||
| 134 | E | 45.7 | Very low | 56.6 | Low | 186 Ų | 186 | 103.4 Ų | 103.4 | 87% | 0.869 | 54% | 0.537 | S | S | * | . | trans | -80.6 | -11.4 | -164.2 | -62 | -169.7 | 128.1 | 0 | 0 | 115.8 | R136 | E134-R136 VanDerWaalsContact C-N 3.32Å; E134-R136 PolarHBondContact O-N 2.98Å | ||
| 135 | F | 35 | Very low | 53.7 | Low | 179 Ų | 179 | 106.8 Ų | 106.8 | 79% | 0.785 | 56% | 0.564 | S | S | * | * | trans | -82.9 | 64.1 | -169.6 | -137.8 | -83.9 | 0 | 0 | 0 | 114.3 | I107 S133 | I107-F135 HydrophobicContact CD1-CB 4.17Å; I107-F135 HydrophobicContact CD1-CD2 4.19Å; I107-F135 HydrophobicContact CD1-CG 4.43Å; S133-F135 PolarHBondContact O-N 2.89Å | ||
| 136 | R | 33.1 | Very low | 51 | Low | 230 Ų | 230 | 116 Ų | 116 | 87% | 0.868 | 60% | 0.604 | S | S | * | * | trans | -142.7 | 47.9 | -178.4 | -139.7 | 179.4 | -165.8 | -164.7 | 3.9 | 116.3 | E134 | E134-R136 VanDerWaalsContact C-N 3.32Å; E134-R136 PolarHBondContact O-N 2.98Å | ||
| 137 | K | 27.7 | Very low | 48.1 | Very low | 201 Ų | 201 | 121.3 Ų | 121.3 | 87% | 0.874 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -172.4 | 104.8 | 159.8 | -102.4 | 154.4 | -173.8 | -179.3 | 0 | 111.2 | ||
| 138 | T | 24.7 | Very low | 45.3 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 83% | 0.828 | 67% | 0.673 | S | S | * | * | trans | 154.9 | 103.3 | 146.8 | 36.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 139 | K | 33.5 | Very low | 42.5 | Very low | 214 Ų | 214 | 133.7 Ų | 133.7 | 93% | 0.93 | 71% | 0.71 | S | S | * | * | trans | -163 | 128.9 | 150 | -114 | 174.2 | -176 | -179.3 | 0 | 109.1 | ||||
| 140 | S | 31 | Very low | 39.5 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -31.8 | 142.7 | 173.1 | -94.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 141 | T | 29.8 | Very low | 36.8 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | cis | 48.5 | 88.9 | 35.8 | 71.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 142 | N | 30.5 | Very low | 34.3 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -176.8 | 160.4 | 133.8 | -92.5 | -17.7 | 0 | 0 | 0 | 112.9 | ||||
| 143 | L | 29.8 | Very low | 32.1 | Very low | 166 Ų | 166 | 151 Ų | 151 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | 73.5 | 150.3 | 173.3 | -91.6 | 64.4 | 0 | 0 | 0 | 119.6 | ||||
| 144 | P | 30.5 | Very low | 31 | Very low | 109 Ų | 109 | 155.4 Ų | 155.4 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | -130.9 | 163.1 | -159.7 | 43.3 | -26.5 | 0 | 0 | 0 | 118 | ||||
| 145 | S | 26.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 38 | 112.6 | 145.7 | 65.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 146 | K | 31.9 | Very low | 29.9 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -174.6 | 112.2 | 130.2 | -101 | 167.6 | -179 | -178.7 | 0 | 107.5 | ||||
| 147 | T | 27 | Very low | 29.8 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | 53.6 | 102.4 | 71.8 | 66.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 148 | S | 31 | Very low | 29.9 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -172 | 120.9 | 130.5 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 149 | L | 31.3 | Very low | 30.1 | Very low | 171 Ų | 171 | 148 Ų | 148 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | 48.1 | 127.1 | 148.4 | -76.6 | 78.2 | 0 | 0 | 0 | 122.5 | ||||
| 150 | T | 27.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -76.8 | 153.6 | 146.1 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 151 | N | 30.5 | Very low | 29.6 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | 171.8 | 160.2 | 120.3 | -95.6 | 24.9 | 0 | 0 | 0 | 116 | |||||
| 152 | D | 32.6 | Very low | 29.4 | Very low | 102 Ų | 102 | 152.3 Ų | 152.3 | 55% | 0.545 | 78% | 0.777 | S | S | . | * | trans | 58.6 | 106.7 | 152.7 | -76.4 | -69.6 | 0 | 0 | 0 | 122.8 | ||||
| 153 | R | 28.8 | Very low | 29.3 | Very low | 213 Ų | 213 | 153.2 Ų | 153.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 42.1 | 117.1 | 119.7 | -61.3 | 178.6 | 172.9 | 128.1 | -18 | 119.1 | |||||
| 154 | K | 32.2 | Very low | 29.1 | Very low | 203 Ų | 203 | 150.5 Ų | 150.5 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | -168.4 | 152.1 | 104.5 | -104.2 | 158.8 | -174.8 | 173.2 | 0 | 114.8 | |||||
| 155 | T | 28.9 | Very low | 29 | Very low | 131 Ų | 131 | 150.9 Ų | 150.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -41.7 | 144.9 | 166.4 | 48.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 156 | S | 29.3 | Very low | 28.9 | Very low | 93 Ų | 93 | 155.8 Ų | 155.8 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | 158.9 | 129.2 | 111.1 | -178.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 157 | K | 31 | Very low | 28.7 | Very low | 185 Ų | 185 | 151.6 Ų | 151.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 48.9 | 122.3 | 148.5 | -63.9 | 172.2 | -174.7 | 178.6 | 0 | 121 | ||||
| 158 | N | 30.1 | Very low | 28.7 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 35.8 | 105.7 | 133.4 | -54.9 | 12 | 0 | 0 | 0 | 118.5 | ||||
| 159 | F | 29.5 | Very low | 28.4 | Very low | 213 Ų | 213 | 153.5 Ų | 153.5 | 93% | 0.934 | 78% | 0.782 | S | S | * | * | trans | -126 | 139.6 | 141.9 | -145.8 | -97.8 | 0 | 0 | 0 | 109.1 | ||||
| 160 | Q | 26.6 | Very low | 28.2 | Very low | 163 Ų | 163 | 151.4 Ų | 151.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -139.8 | 150 | -168.9 | -170 | -179.7 | -3.2 | 0 | 0 | 108.9 | ||||
| 161 | R | 26 | Very low | 28.3 | Very low | 207 Ų | 207 | 152.1 Ų | 152.1 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | 90 | 133 | 174.4 | -64.9 | 177.8 | 159 | -171 | -3.7 | 118.8 | ||||
| 162 | Q | 25.7 | Very low | 28.2 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 63.4 | 112.9 | 136.9 | -66.8 | 167.8 | -71 | 0 | 0 | 120.2 | ||||
| 163 | L | 28.4 | Very low | 27.9 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | -174.1 | 146.8 | 114.6 | -113.7 | 85.2 | 0 | 0 | 0 | 107.3 | |||||
| 164 | C | 26.8 | Very low | 27.8 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | cis | -155.4 | 154.7 | -18.3 | -150 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 165 | C | 26.9 | Very low | 27.6 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -78.6 | 154 | 168.5 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 166 | F | 25.8 | Very low | 27.6 | Very low | 206 Ų | 206 | 147.9 Ų | 147.9 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -109.7 | 120 | 158.1 | -87.8 | -81.8 | 0 | 0 | 0 | 108.8 | ||||
| 167 | P | 26.2 | Very low | 27.5 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -86.2 | 159.6 | 173.8 | 35.6 | -34 | 0 | 0 | 0 | 111.4 | ||||
| 168 | V | 27.8 | Very low | 27.4 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -135.9 | 95.6 | 160.1 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 169 | N | 25.7 | Very low | 27.4 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | trans | -129 | 137.5 | 169.6 | -104.4 | 82.7 | 0 | 0 | 0 | 107.9 | ||||
| 170 | D | 25.6 | Very low | 27.2 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | trans | 44.8 | 125.1 | 151 | -41.8 | -41.4 | 0 | 0 | 0 | 120 | ||||
| 171 | T | 30 | Very low | 27.3 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | -176 | 136.4 | 100.7 | 24 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 172 | V | 28.2 | Very low | 27.5 | Very low | 143 Ų | 143 | 141 Ų | 141 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | 55.4 | 126.7 | 142.3 | -177.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 173 | G | 27.2 | Very low | 27.7 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 172.5 | 84.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 174 | E | 25.2 | Very low | 27.6 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -76.4 | 141.6 | 171.8 | -62.6 | 174.4 | 105.6 | 0 | 0 | 111 | ||||
| 175 | E | 28.4 | Very low | 27.7 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | 176.4 | 157.7 | 125.7 | -100.2 | -177.4 | -179.1 | 0 | 0 | 112.9 | |||||
| 176 | S | 29.3 | Very low | 27.8 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 50 | 98.6 | 164.4 | -58 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 177 | Q | 27 | Very low | 27.9 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | 41.4 | 106.8 | 75.1 | -56.4 | -170.2 | 7.6 | 0 | 0 | 115.5 | |||||
| 178 | T | 28.7 | Very low | 28.2 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | 166.8 | 158 | 110.1 | 36.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 179 | I | 29.7 | Very low | 28.3 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 52.7 | 96 | 161.6 | -57.9 | 149.9 | 0 | 0 | 0 | 115.2 | ||||
| 180 | S | 26.3 | Very low | 28.5 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | cis | 74.8 | 136.3 | 49.3 | 96.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 181 | Q | 28.9 | Very low | 28.7 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | 82.3 | 146.4 | 170.3 | -54.1 | -176.3 | -4.6 | 0 | 0 | 119.5 | ||||
| 182 | L | 29 | Very low | 28.7 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 77.7 | 78.1 | 165.1 | -68 | 158.3 | 0 | 0 | 0 | 120.6 | ||||
| 183 | T | 30.1 | Very low | 28.7 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | 67.2 | 99.5 | 127.9 | 52.6 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 184 | N | 27.1 | Very low | 28.8 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | 24.3 | 102.6 | 123.2 | -55.6 | 1.8 | 0 | 0 | 0 | 118.1 | |||||
| 185 | V | 27.9 | Very low | 28.9 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | -149.3 | 132.2 | 93.2 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 186 | H | 29.1 | Very low | 28.9 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -145.3 | 143 | 166.2 | -121.1 | 55.7 | 0 | 0 | 0 | 110.8 | ||||
| 187 | D | 27.4 | Very low | 28.8 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -69.6 | 144 | 173.5 | -67 | -62.1 | 0 | 0 | 0 | 110.5 | ||||
| 188 | H | 32.5 | Very low | 28.6 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -120.4 | 118.4 | 150.8 | -97.9 | -42.5 | 0 | 0 | 0 | 109.8 | ||||
| 189 | N | 31.4 | Very low | 28.6 | Very low | 125 Ų | 125 | 149 Ų | 149 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | trans | 42.6 | 118.3 | 134.3 | -51.2 | -2.3 | 0 | 0 | 0 | 117.4 | ||||
| 190 | D | 29.6 | Very low | 28.5 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 58% | 0.578 | 78% | 0.781 | S | S | * | * | 52.3 | 85.9 | 78.6 | -94.9 | -23.4 | 0 | 0 | 0 | 113.3 | R61 | R61-D190 IonicContact CZ-OD1 3.28Å; R61-D190 IonicContact CZ-OD2 3.07Å; R61-D190 IonicContact NH1-OD1 2.76Å; R61-D190 PolarHBondContact NH1-OD1 3.24Å; R61-D190 IonicContact NH1-OD2 2.7Å; R61-D190 PolarHBondContact NH1-OD2 3.12Å; R61-D190 IonicContact NH2-OD1 3.6Å; R61-D190 PolarHBondContact NH2-OD1 3.14Å; R61-D190 IonicContact NH2-OD2 3.51Å | |||
| 191 | E | 29.8 | Very low | 28.7 | Very low | 192 Ų | 192 | 151.4 Ų | 151.4 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -139.7 | 131.9 | 144.6 | -142 | 161.4 | -141.3 | 0 | 0 | 108.6 | ||||
| 192 | L | 28.9 | Very low | 28.7 | Very low | 148 Ų | 148 | 152 Ų | 152 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -150.8 | 73.2 | -172.4 | -166.3 | 151.9 | 0 | 0 | 0 | 108.6 | ||||
| 193 | E | 29.2 | Very low | 28.5 | Very low | 188 Ų | 188 | 152.7 Ų | 152.7 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -117.1 | 133.8 | 170 | -65.6 | -143.4 | 131.4 | 0 | 0 | 110.8 | ||||
| 194 | Q | 28.5 | Very low | 28.6 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -95.6 | 134.7 | 165.3 | -62.8 | -179.6 | -51.4 | 0 | 0 | 107.5 | I196 | Q194-I196 HydrophobicContact CB-CG1 4.45Å; Q194-I196 PolarHBondContact O-N 3.39Å | ||
| 195 | P | 28.2 | Very low | 28.9 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -68.7 | 96.8 | 169.2 | 28 | -32.8 | 0 | 0 | 0 | 109.6 | ||||
| 196 | I | 27.6 | Very low | 29 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | -84 | 114.5 | 175.7 | -69.3 | 178.3 | 0 | 0 | 0 | 109.6 | Q194 | Q194-I196 HydrophobicContact CB-CG1 4.45Å; Q194-I196 PolarHBondContact O-N 3.39Å | ||
| 197 | S | 27.6 | Very low | 29.1 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 48.5 | 118.3 | 160.8 | 66.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 198 | R | 23.9 | Very low | 29.2 | Very low | 240 Ų | 240 | 144.9 Ų | 144.9 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -130.2 | 85.1 | 151 | -156.4 | 178.6 | -164.4 | 172 | 4.7 | 109.8 | ||||
| 199 | C | 27.9 | Very low | 29.2 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -118.8 | 133.8 | 166.1 | -62.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 200 | E | 27.8 | Very low | 29.2 | Very low | 171 Ų | 171 | 142 Ų | 142 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -87.7 | 146.5 | -167.3 | -63.8 | 176.5 | 124.5 | 0 | 0 | 112.2 | E202 | E200-E202 PolarHBondContact O-N 3.02Š| ||
| 201 | P | 29.3 | Very low | 29.3 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -93 | 83.1 | -178.4 | 35.9 | -33.6 | 0 | 0 | 0 | 112 | N203 | P201-N203 PolarHBondContact O-N 3.49Š| ||
| 202 | E | 28.8 | Very low | 29.4 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -77.8 | 107 | 169.9 | -68.2 | -140.7 | 126.7 | 0 | 0 | 111.5 | E200 | E200-E202 PolarHBondContact O-N 3.02Š| ||
| 203 | N | 26.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -84.9 | 116.3 | 168.3 | -90.2 | -52.1 | 0 | 0 | 0 | 110.2 | P201 | P201-N203 PolarHBondContact O-N 3.49Š| ||
| 204 | S | 32.4 | Very low | 29.4 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -152 | 148.1 | 148.6 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 205 | T | 32.7 | Very low | 29.3 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -13.1 | 153.5 | 158.5 | 47.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 206 | S | 29.1 | Very low | 29.3 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | 172.5 | 170.8 | -14.4 | 54.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 207 | A | 32.2 | Very low | 29.5 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 62% | 0.62 | 78% | 0.783 | S | S | * | * | trans | 79.6 | 100.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 208 | N | 29.2 | Very low | 29.4 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | 76.7 | 160.5 | 120.7 | -59.8 | -9.6 | 0 | 0 | 0 | 122.4 | |||||
| 209 | S | 32.7 | Very low | 29.7 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 65.5 | 123.1 | -177 | 25.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 210 | T | 31.8 | Very low | 29.7 | Very low | 132 Ų | 132 | 137 Ų | 137 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | cis | 64.1 | 130.1 | 44.8 | 77.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 211 | D | 30.4 | Very low | 29.6 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | cis | -160 | 170.7 | 16.2 | -158.1 | 8.8 | 0 | 0 | 0 | 110.9 | ||||
| 212 | R | 32 | Very low | 29.8 | Very low | 195 Ų | 195 | 137 Ų | 137 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 63.9 | 109.4 | 159.5 | -68.2 | 157.2 | -142.5 | -153.3 | -0.3 | 121.6 | ||||
| 213 | D | 26.8 | Very low | 29.7 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | 33.1 | 120.6 | 107.9 | -51.9 | -40.2 | 0 | 0 | 0 | 120.6 | |||||
| 214 | L | 32.5 | Very low | 29.7 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 94% | 0.942 | 77% | 0.774 | S | S | * | * | -147.3 | 152 | 109.8 | -140 | 73.5 | 0 | 0 | 0 | 111.1 | |||||
| 215 | S | 27.1 | Very low | 29.4 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -110.7 | 154.2 | -161.4 | 59.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 216 | C | 28.1 | Very low | 29 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -146.1 | 87.7 | 155.4 | -141.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 217 | T | 30.3 | Very low | 29 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | trans | 33.9 | 101.2 | 144.1 | -42.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 218 | C | 25.6 | Very low | 28.7 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | 71.4 | 120.2 | 56.1 | -56.2 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 219 | L | 29.8 | Very low | 28.4 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | 161.8 | 80.7 | 146 | -90 | 164.5 | 0 | 0 | 0 | 109.9 | ||||
| 220 | M | 29.7 | Very low | 28.3 | Very low | 166 Ų | 166 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | 51.2 | 110.3 | 101.8 | -68.5 | -164.4 | 167.8 | 0 | 0 | 115.7 | |||||
| 221 | Q | 25.7 | Very low | 28.1 | Very low | 175 Ų | 175 | 148 Ų | 148 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 75.8 | 156 | 74.2 | -88.3 | -164.1 | -3 | 0 | 0 | 115.1 | |||||
| 222 | P | 31.8 | Very low | 27.9 | Very low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | cis | -131.7 | 170.3 | -4 | 38.7 | -22.4 | 0 | 0 | 0 | 116.5 | ||||
| 223 | G | 27.7 | Very low | 27.7 | Very low | 73 Ų | 73 | 145.5 Ų | 145.5 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 98.6 | 113.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 224 | E | 26.9 | Very low | 27.7 | Very low | 189 Ų | 189 | 143.8 Ų | 143.8 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | -178.7 | -177.3 | 105.2 | -91.8 | -143.4 | 114.6 | 0 | 0 | 112.6 | |||||
| 225 | L | 25.4 | Very low | 27.5 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -67.4 | 139.8 | -156.8 | -91.6 | 54.6 | 0 | 0 | 0 | 118 | ||||
| 226 | K | 25.2 | Very low | 27.5 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 2.7 | 120.9 | 143.2 | -62.6 | 176.9 | 177.4 | 179.2 | 0 | 117.4 | ||||
| 227 | Q | 27.4 | Very low | 27.4 | Very low | 186 Ų | 186 | 138 Ų | 138 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 146.3 | 153.2 | -68.6 | -175.2 | -8.9 | 0 | 0 | 110.4 | ||
| 228 | P | 26 | Very low | 27.4 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 169.9 | -176.5 | 35.2 | -36.3 | 0 | 0 | 0 | 113.6 | ||
| 229 | L | 24.6 | Very low | 27.4 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 146.1 | -179.5 | -70.8 | 78.3 | 0 | 0 | 0 | 112.7 | R231 | L229-R231 PolarHBondContact O-N 3.1Š|
| 230 | P | 29.5 | Very low | 27.5 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 131.2 | 169.1 | 29 | -34 | 0 | 0 | 0 | 110.4 | ||
| 231 | R | 27.6 | Very low | 27.5 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 65% | 0.653 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -74 | 131.5 | 170.7 | -81 | 178.3 | 166.8 | 153.1 | -6.1 | 110.2 | L229 N233 | L229-R231 PolarHBondContact O-N 3.1Å; R231-N233 PolarHBondContact O-N 2.92Å |
| 232 | S | 25.8 | Very low | 27.7 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -69.4 | 89.4 | 169.5 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 233 | N | 27.9 | Very low | 27.7 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | trans | -128.2 | 85.1 | 160.2 | -97.3 | -10.6 | 0 | 0 | 0 | 107.4 | R231 L235 | R231-N233 PolarHBondContact O-N 2.92Å; N233-L235 PolarHBondContact O-N 3.35Å | ||
| 234 | S | 27.3 | Very low | 27.9 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -74.7 | 65.6 | -177.6 | 41.8 | 0 | 0 | 0 | 0 | 112.2 | V236 | S234-V236 PolarHBondContact O-N 2.78Š| ||
| 235 | L | 28.8 | Very low | 28 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | trans | -64.7 | 115.6 | 165.5 | -89.1 | 171.4 | 0 | 0 | 0 | 109.3 | P10 N233 S237 | P10-L235 HydrophobicContact CG-CD1 3.7Å; P10-L235 HydrophobicContact CG-CD2 3.87Å; P10-L235 HydrophobicContact CG-CG 4.48Å; N233-L235 PolarHBondContact O-N 3.35Å; L235-S237 PolarHBondContact O-N 3.19Å | ||
| 236 | V | 26.3 | Very low | 28.2 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 46% | 0.455 | 74% | 0.738 | S | S | . | * | trans | -68.9 | 94.3 | -172.9 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | S234 I238 P658 L661 | S234-V236 PolarHBondContact O-N 2.78Å; V236-I238 HydrophobicContact CG1-CD1 4.47Å; V236-I238 HydrophobicContact CG1-CG1 3.69Å; V236-I238 PolarHBondContact O-N 3.42Å; V236-P658 HydrophobicContact CG1-CG 4.36Å; V236-L661 HydrophobicContact CG1-CD1 4.26Å | ||
| 237 | S | 26.8 | Very low | 28.5 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | trans | -77.7 | 100.7 | 159.8 | 57.3 | 0 | 0 | 0 | 0 | 108.7 | L235 S239 | L235-S237 PolarHBondContact O-N 3.19Å; S237-S239 PolarHBondContact O-N 2.98Å | ||
| 238 | I | 29.6 | Very low | 28.6 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 42% | 0.421 | 73% | 0.731 | S | S | . | * | trans | -73.9 | 81.1 | 169.8 | -50.8 | -176.7 | 0 | 0 | 0 | 108.1 | V236 F240 | V236-I238 HydrophobicContact CG1-CD1 4.47Å; V236-I238 HydrophobicContact CG1-CG1 3.69Å; V236-I238 PolarHBondContact O-N 3.42Å; I238-F240 HydrophobicContact CB-CD2 4.47Å; I238-F240 HydrophobicContact CB-CE2 4.29Å; I238-F240 HydrophobicContact CG2-CD2 3.74Å; I238-F240 HydrophobicContact CG2-CE2 3.51Å; I238-F240 HydrophobicContact CG2-CG 4.41Å; I238-F240 HydrophobicContact CG2-CZ 4.01Å; I238-F240 PolarHBondContact O-N 2.98Å | ||
| 239 | S | 26.8 | Very low | 28.5 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -68.3 | 80.7 | 170 | -69.5 | 0 | 0 | 0 | 0 | 109.3 | S237 N241 | S237-S239 PolarHBondContact O-N 2.98Å; S239-N241 PolarHBondContact O-N 3.45Å; S239-N241 VanDerWaalsContact O-N 3.11Å | ||
| 240 | F | 30.6 | Very low | 28.8 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | trans | -54 | 118.5 | 168 | -82.1 | -82.4 | 0 | 0 | 0 | 109 | I238 V242 | I238-F240 HydrophobicContact CB-CD2 4.47Å; I238-F240 HydrophobicContact CB-CE2 4.29Å; I238-F240 HydrophobicContact CG2-CD2 3.74Å; I238-F240 HydrophobicContact CG2-CE2 3.51Å; I238-F240 HydrophobicContact CG2-CG 4.41Å; I238-F240 HydrophobicContact CG2-CZ 4.01Å; I238-F240 PolarHBondContact O-N 2.98Å; F240-V242 PolarHBondContact O-N 2.66Å | ||
| 241 | N | 29.6 | Very low | 28.6 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | trans | -69.3 | 92.7 | 179 | -120.8 | -7.7 | 0 | 0 | 0 | 109.2 | S239 | S239-N241 PolarHBondContact O-N 3.45Å; S239-N241 VanDerWaalsContact O-N 3.11Å | ||
| 242 | V | 31.1 | Very low | 28.6 | Very low | 103 Ų | 103 | 139 Ų | 139 | 62% | 0.624 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 124.7 | 169.6 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | F240 K244 | F240-V242 PolarHBondContact O-N 2.66Å; V242-K244 PolarHBondContact O-N 2.95Å |
| 243 | P | 30.9 | Very low | 28.6 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 123 | 178.6 | -25.4 | 34.4 | 0 | 0 | 0 | 111.3 | ||
| 244 | K | 31.5 | Very low | 28.5 | Very low | 202 Ų | 202 | 140.2 Ų | 140.2 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 125 | 170.9 | -76 | -179.6 | 179.1 | 170.7 | 0 | 109.1 | V242 | V242-K244 PolarHBondContact O-N 2.95Š|
| 245 | E | 29.6 | Very low | 28.6 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 139.4 | 169.2 | -59.8 | 172 | 117.7 | 0 | 0 | 111.1 | K247 | E245-K247 VanDerWaalsContact CD-NZ 3.31Å; E245-K247 PolarHBondContact O-N 3.29Å; E245-K247 IonicContact OE1-NZ 3.3Å; E245-K247 PolarHBondContact OE1-NZ 3.38Å; E245-K247 IonicContact OE2-NZ 3.84Å; E245-K247 PolarHBondContact OE2-NZ 2.93Å |
| 246 | P | 29 | Very low | 28.3 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | trans | -75.5 | 95.4 | 175.4 | 30.6 | -34.1 | 0 | 0 | 0 | 110.9 | ||||
| 247 | K | 31 | Very low | 28.4 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | -104 | 96.1 | 174.7 | -84.5 | 168.8 | 178.5 | 155.8 | 0 | 111.9 | E245 | E245-K247 VanDerWaalsContact CD-NZ 3.31Å; E245-K247 PolarHBondContact O-N 3.29Å; E245-K247 IonicContact OE1-NZ 3.3Å; E245-K247 PolarHBondContact OE1-NZ 3.38Å; E245-K247 IonicContact OE2-NZ 3.84Å; E245-K247 PolarHBondContact OE2-NZ 2.93Å | ||
| 248 | R | 29.7 | Very low | 28.6 | Very low | 242 Ų | 242 | 150.2 Ų | 150.2 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | -1.1 | 119.6 | 167.7 | -74.3 | 178 | 168.3 | 166.1 | -4.2 | 115.8 | ||||
| 249 | G | 25.3 | Very low | 28.5 | Very low | 78 Ų | 78 | 151.8 Ų | 151.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -57.5 | 143 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 250 | R | 29.1 | Very low | 28.5 | Very low | 211 Ų | 211 | 153.6 Ų | 153.6 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | -117 | 114.6 | 161 | -81.2 | -174.2 | 171.9 | 178.4 | -2 | 108.2 | Y252 | R250-Y252 PolarHBondContact O-N 2.75Š| ||
| 251 | N | 26 | Very low | 28.3 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -62.7 | 127.2 | 173.2 | -60.4 | -16.7 | 0 | 0 | 0 | 108.9 | ||||
| 252 | Y | 27.8 | Very low | 28 | Very low | 206 Ų | 206 | 149.6 Ų | 149.6 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -104.3 | 114.5 | 161.8 | -80.8 | -78.7 | 0 | 0 | 0 | 108.3 | R250 | R250-Y252 PolarHBondContact O-N 2.75Š| ||
| 253 | L | 26.6 | Very low | 27.8 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -61.8 | 137.5 | 178.3 | -113.8 | 70.3 | 0 | 0 | 0 | 110.8 | C255 | L253-C255 PolarHBondContact O-N 3.3Š| ||
| 254 | V | 25.6 | Very low | 27.3 | Very low | 134 Ų | 134 | 149.9 Ų | 149.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -82.3 | 104 | 162.5 | 177.2 | 0 | 0 | 0 | 0 | 108 | R256 | V254-R256 PolarHBondContact O-N 2.7Å; V254-R256 VanDerWaalsContact O-N 3.09Å | ||
| 255 | C | 28 | Very low | 27.1 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -74.1 | 97.1 | 173.2 | -67.6 | 0 | 0 | 0 | 0 | 110.8 | L253 | L253-C255 PolarHBondContact O-N 3.3Š| ||
| 256 | R | 23.7 | Very low | 27 | Very low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -75.1 | 132.9 | 155 | -90.2 | -178.3 | 165.7 | 176.1 | -4 | 108.8 | V254 | V254-R256 PolarHBondContact O-N 2.7Å; V254-R256 VanDerWaalsContact O-N 3.09Å | ||
| 257 | G | 29.1 | Very low | 26.9 | Very low | 63 Ų | 63 | 148.1 Ų | 148.1 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | 171.2 | 100.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 258 | H | 29.6 | Very low | 26.7 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | 49.4 | 134.6 | 151.1 | -47.3 | 164.4 | 0 | 0 | 0 | 118.3 | ||||
| 259 | S | 28.3 | Very low | 26.5 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | cis | -157 | 164.3 | 39 | -73.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 260 | V | 26 | Very low | 26.7 | Very low | 137 Ų | 137 | 146 Ų | 146 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -78.8 | 127.3 | 170.2 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 261 | V | 26.4 | Very low | 26.6 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -139.5 | 131.6 | 152.2 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 262 | S | 23.2 | Very low | 26.8 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -98.3 | 125.3 | 178.4 | 49 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 263 | T | 27.3 | Very low | 26.8 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -140.8 | 114.5 | 162.7 | 50.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 264 | S | 21.4 | Very low | 27 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -89.5 | 127.3 | 165.5 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 265 | P | 26.8 | Very low | 27.2 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -96.3 | 93.6 | 162.1 | 33.2 | -26.7 | 0 | 0 | 0 | 109.5 | ||||
| 266 | H | 28.1 | Very low | 27.2 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -71.1 | 135.4 | 164.4 | -143.1 | -84.7 | 0 | 0 | 0 | 108.9 | ||||
| 267 | M | 26.4 | Very low | 27.5 | Very low | 154 Ų | 154 | 134 Ų | 134 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | 75 | 145.3 | 158.2 | -131.1 | 114.6 | 69.6 | 0 | 0 | 119.8 | ||||
| 268 | S | 26.2 | Very low | 27.4 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | trans | 77.7 | 113 | 148.4 | -60.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 269 | R | 25.9 | Very low | 27.4 | Very low | 251 Ų | 251 | 137.6 Ų | 137.6 | 95% | 0.947 | 82% | 0.819 | S | S | * | * | trans | 34.1 | 114.7 | 134.1 | -73.2 | 176.6 | 163.3 | 166.7 | -5.6 | 119.3 | ||||
| 270 | G | 29 | Very low | 27.5 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -141.9 | 124.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 271 | N | 27.9 | Very low | 27.6 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -89.4 | 143.9 | 177.2 | -64.3 | -17.8 | 0 | 0 | 0 | 110.6 | ||||
| 272 | S | 30 | Very low | 27.7 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -159.7 | 90.2 | 152.9 | -164.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 273 | L | 28.1 | Very low | 27.7 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | S | Bend | trans | 171.2 | 54.4 | 140.8 | -94.3 | 166 | 0 | 0 | 0 | 111.7 | ||
| 274 | V | 30 | Very low | 27.6 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -132.4 | 115.1 | 157.4 | 179 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 275 | G | 29.3 | Very low | 27.8 | Very low | 63 Ų | 63 | 137.3 Ų | 137.3 | 65% | 0.649 | 83% | 0.831 | S | S | * | * | trans | -93.3 | 142.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 276 | L | 27.7 | Very low | 27.8 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 94% | 0.942 | 82% | 0.816 | S | S | * | * | trans | 57.8 | 88.2 | 155.7 | -61.9 | 165.6 | 0 | 0 | 0 | 117.8 | ||||
| 277 | S | 29.7 | Very low | 27.9 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | -151.5 | 155.4 | 118.9 | -163.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 278 | R | 27.9 | Very low | 28.1 | Very low | 247 Ų | 247 | 130.2 Ų | 130.2 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -119.2 | 140.2 | 176.8 | -80.8 | 170.8 | 152.3 | 170.4 | -8.5 | 108.1 | ||||
| 279 | G | 29.7 | Very low | 28.4 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 162.9 | 127.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 280 | C | 31.1 | Very low | 28.6 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 92% | 0.919 | 78% | 0.776 | S | S | * | * | trans | -26.7 | 131.6 | 169.2 | -57.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 281 | G | 26.4 | Very low | 28.6 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | 59.8 | 102 | 119 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 282 | G | 28.8 | Very low | 28.8 | Very low | 72 Ų | 72 | 118.1 Ų | 118.1 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | 177.6 | 128.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V284 | G282-V284 PolarHBondContact O-N 2.7Š| ||
| 283 | I | 23.4 | Very low | 29 | Very low | 169 Ų | 169 | 116.5 Ų | 116.5 | 87% | 0.867 | 72% | 0.719 | S | S | * | * | trans | -84.1 | 105.7 | 172.2 | -62.9 | 174.8 | 0 | 0 | 0 | 108.1 | ||||
| 284 | V | 26.1 | Very low | 29.4 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | -125.6 | 119.2 | 161.1 | -179.7 | 0 | 0 | 0 | 0 | 107 | G282 N286 | G282-V284 PolarHBondContact O-N 2.7Å; V284-N286 PolarHBondContact O-N 3.28Å | ||
| 285 | V | 26.1 | Very low | 29.7 | Very low | 134 Ų | 134 | 115.1 Ų | 115.1 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | trans | -75.2 | 80.7 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | T287 | V285-T287 PolarHBondContact O-N 2.96Š| ||
| 286 | N | 25.2 | Very low | 30.3 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 48% | 0.481 | 68% | 0.68 | S | S | . | * | trans | -79.2 | 110.6 | -176.5 | -165.7 | -1.9 | 0 | 0 | 0 | 111.4 | V284 D288 | V284-N286 PolarHBondContact O-N 3.28Å; N286-D288 PolarHBondContact ND2-OD2 3.32Å; N286-D288 PolarHBondContact O-N 3.39Å; N286-D288 WeakPolarHBondContact OD1-CB 3.21Å; N286-D288 PolarHBondContact OD1-N 3.02Å; N286-D288 PolarHBondContact OD1-OD2 3.08Å | ||
| 287 | T | 30.1 | Very low | 31.1 | Very low | 109 Ų | 109 | 111.2 Ų | 111.2 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -15.9 | 175.1 | 41.4 | 0 | 0 | 0 | 0 | 114.1 | V285 S289 W290 | V285-T287 PolarHBondContact O-N 2.96Å; T287-S289 VanDerWaalsContact C-N 3.27Å; T287-S289 PolarHBondContact O-N 3.43Å; T287-W290 PolarHBondContact O-N 3.38Å |
| 288 | D | 30.6 | Very low | 31.7 | Very low | 87 Ų | 87 | 107.4 Ų | 107.4 | 47% | 0.465 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.4 | -22.6 | -175.9 | -65 | -26.1 | 0 | 0 | 0 | 115.1 | N286 W290 N291 A292 | N286-D288 PolarHBondContact ND2-OD2 3.32Å; N286-D288 PolarHBondContact O-N 3.39Å; N286-D288 WeakPolarHBondContact OD1-CB 3.21Å; N286-D288 PolarHBondContact OD1-N 3.02Å; N286-D288 PolarHBondContact OD1-OD2 3.08Å; D288-W290 PolarHBondContact O-N 2.72Å; D288-N291 WeakPolarHBondContact O-CA 3.47Å; D288-N291 WeakPolarHBondContact O-CB 3.49Å; D288-N291 PolarHBondContact O-N 3.12Å; D288-A292 PolarHBondContact O-N 3.3Å |
| 289 | S | 32.9 | Very low | 32.4 | Very low | 93 Ų | 93 | 100.9 Ų | 100.9 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -57 | -37.7 | 179.7 | -178 | 0 | 0 | 0 | 0 | 112.5 | T287 S293 | T287-S289 VanDerWaalsContact C-N 3.27Å; T287-S289 PolarHBondContact O-N 3.43Å; S289-S293 PolarHBondContact O-N 2.91Å |
| 290 | W | 29.4 | Very low | 33 | Very low | 139 Ų | 139 | 101.8 Ų | 101.8 | 53% | 0.527 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.8 | -35.2 | 174.7 | -104.6 | 66.3 | 0 | 0 | 0 | 112.8 | T287 D288 S293 R294 | T287-W290 PolarHBondContact O-N 3.38Å; D288-W290 PolarHBondContact O-N 2.72Å; W290-S293 PolarHBondContact O-N 3.43Å; W290-R294 PolarHBondContact O-N 2.78Å |
| 291 | N | 30.9 | Very low | 33.7 | Very low | 58 Ų | 58 | 97 Ų | 97 | 31% | 0.31 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.7 | -34.7 | 178.3 | -70.6 | -31.1 | 0 | 0 | 0 | 112.1 | D288 S293 R294 R295 | D288-N291 WeakPolarHBondContact O-CA 3.47Å; D288-N291 WeakPolarHBondContact O-CB 3.49Å; D288-N291 PolarHBondContact O-N 3.12Å; N291-S293 VanDerWaalsContact C-N 3.34Å; N291-S293 PolarHBondContact O-N 2.61Å; N291-R294 PolarHBondContact O-N 2.97Å; N291-R295 PolarHBondContact O-N 2.9Å |
| 292 | A | 31.1 | Very low | 34.3 | Very low | 54 Ų | 54 | 94.6 Ų | 94.6 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | D288 R295 H296 | D288-A292 PolarHBondContact O-N 3.3Å; A292-R295 PolarHBondContact O-N 3.42Å; A292-H296 PolarHBondContact O-N 2.79Å |
| 293 | S | 34.3 | Very low | 34.7 | Very low | 81 Ų | 81 | 96.6 Ų | 96.6 | 57% | 0.566 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.3 | -37.8 | 177.6 | -165.3 | 0 | 0 | 0 | 0 | 113 | S289 W290 N291 H296 V297 | S289-S293 PolarHBondContact O-N 2.91Å; W290-S293 PolarHBondContact O-N 3.43Å; N291-S293 VanDerWaalsContact C-N 3.34Å; N291-S293 PolarHBondContact O-N 2.61Å; S293-H296 PolarHBondContact O-N 2.56Å; S293-V297 PolarHBondContact O-N 3.06Å |
| 294 | R | 36 | Very low | 35.3 | Very low | 137 Ų | 137 | 93.3 Ų | 93.3 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -51.4 | 172.8 | -70.3 | -178.8 | -171.2 | -172.6 | 4.5 | 111.5 | W290 N291 H296 V297 S298 | W290-R294 PolarHBondContact O-N 2.78Å; N291-R294 PolarHBondContact O-N 2.97Å; R294-H296 VanDerWaalsContact C-N 3.35Å; R294-H296 PolarHBondContact O-N 3.44Å; R294-V297 PolarHBondContact O-N 3.25Å; R294-S298 PolarHBondContact O-N 3.05Å |
| 295 | R | 37.3 | Very low | 35.9 | Very low | 154 Ų | 154 | 91.4 Ų | 91.4 | 58% | 0.581 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -56.6 | -49 | 176.5 | -72.3 | -173.8 | -169.1 | 124.9 | 3.7 | 110.5 | N291 A292 V297 S298 E299 | N291-R295 PolarHBondContact O-N 2.9Å; A292-R295 PolarHBondContact O-N 3.42Å; R295-V297 PolarHBondContact O-N 3.36Å; R295-S298 PolarHBondContact O-N 3.48Å; R295-E299 HydrophobicContact CB-CG 4.38Å; R295-E299 WeakPolarHBondContact CB-OE2 3.4Å; R295-E299 WeakPolarHBondContact O-CA 3.32Å; R295-E299 WeakPolarHBondContact O-CB 3.47Å; R295-E299 WeakPolarHBondContact O-CG 3.26Å; R295-E299 PolarHBondContact O-N 2.94Å |
| 296 | H | 41.5 | Very low | 36.4 | Very low | 115 Ų | 115 | 89.1 Ų | 89.1 | 53% | 0.532 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.7 | -16.8 | -173.1 | -137.5 | -6.6 | 0 | 0 | 0 | 115.9 | A292 S293 R294 K300 | A292-H296 PolarHBondContact O-N 2.79Å; S293-H296 PolarHBondContact O-N 2.56Å; R294-H296 VanDerWaalsContact C-N 3.35Å; R294-H296 PolarHBondContact O-N 3.44Å; H296-K300 WeakPolarHBondContact O-CB 3.43Å |
| 297 | V | 43.6 | Very low | 36.8 | Very low | 46 Ų | 46 | 91.8 Ų | 91.8 | 28% | 0.279 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -88.8 | -50.6 | 169 | 179.1 | 0 | 0 | 0 | 0 | 111 | S293 R294 R295 K300 V301 | S293-V297 PolarHBondContact O-N 3.06Å; R294-V297 PolarHBondContact O-N 3.25Å; R295-V297 PolarHBondContact O-N 3.36Å; V297-K300 PolarHBondContact O-N 3.46Å; V297-V301 HydrophobicContact CG1-CG2 4.38Å; V297-V301 WeakPolarHBondContact O-CG2 3.44Å; V297-V301 PolarHBondContact O-N 2.71Å |
| 298 | S | 43.4 | Very low | 36.8 | Very low | 46 Ų | 46 | 88.7 Ų | 88.7 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | -178.5 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | E91 R294 R295 K300 V301 A302 | E91-S298 VanDerWaalsContact OE1-CB 3.28Å; E91-S298 WeakPolarHBondContact OE1-CB 3.24Å; E91-S298 PolarHBondContact OE1-OG 3.06Å; R294-S298 PolarHBondContact O-N 3.05Å; R295-S298 PolarHBondContact O-N 3.48Å; S298-K300 VanDerWaalsContact C-N 3.33Å; S298-K300 PolarHBondContact O-N 3.38Å; S298-V301 PolarHBondContact O-N 2.65Å; S298-A302 WeakPolarHBondContact O-CA 3.5Å; S298-A302 WeakPolarHBondContact O-CB 3.28Å; S298-A302 PolarHBondContact O-N 3.19Å |
| 299 | E | 42.1 | Very low | 36.7 | Very low | 110 Ų | 110 | 90.8 Ų | 90.8 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -29 | 172.9 | -68.2 | 176.4 | 140.6 | 0 | 0 | 113.3 | R295 E303 | R295-E299 HydrophobicContact CB-CG 4.38Å; R295-E299 WeakPolarHBondContact CB-OE2 3.4Å; R295-E299 WeakPolarHBondContact O-CA 3.32Å; R295-E299 WeakPolarHBondContact O-CB 3.47Å; R295-E299 WeakPolarHBondContact O-CG 3.26Å; R295-E299 PolarHBondContact O-N 2.94Å; E299-E303 WeakPolarHBondContact O-CB 3.41Å; E299-E303 WeakPolarHBondContact O-CG 3.33Å; E299-E303 PolarHBondContact O-N 3.19Å |
| 300 | K | 42.7 | Very low | 36.6 | Very low | 98 Ų | 98 | 91.6 Ų | 91.6 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -86.3 | -31.6 | 177.1 | -88.7 | -178.6 | 170.3 | 172.4 | 0 | 113.9 | H296 V297 S298 E303 M304 | H296-K300 WeakPolarHBondContact O-CB 3.43Å; V297-K300 PolarHBondContact O-N 3.46Å; S298-K300 VanDerWaalsContact C-N 3.33Å; S298-K300 PolarHBondContact O-N 3.38Å; K300-E303 WeakPolarHBondContact CG-OE2 3.43Å; K300-M304 WeakPolarHBondContact O-CG 3.49Å; K300-M304 PolarHBondContact O-N 3.06Å; K300-M304 VanDerWaalsContact O-N 3.14Å |
| 301 | V | 45.4 | Very low | 36.8 | Very low | 34 Ų | 34 | 90.1 Ų | 90.1 | 21% | 0.206 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -69.7 | -41.1 | 167.8 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | V297 S298 M304 L305 | V297-V301 HydrophobicContact CG1-CG2 4.38Å; V297-V301 WeakPolarHBondContact O-CG2 3.44Å; V297-V301 PolarHBondContact O-N 2.71Å; S298-V301 PolarHBondContact O-N 2.65Å; V301-M304 CarbonylContact O-C 3.55Å; V301-M304 PolarHBondContact O-N 2.8Å; V301-L305 HydrophobicContact CG1-CD1 3.81Å; V301-L305 WeakPolarHBondContact O-CB 3.17Å; V301-L305 VanDerWaalsContact O-CG 3.26Å; V301-L305 WeakPolarHBondContact O-CG 3.47Å; V301-L305 PolarHBondContact O-N 3.03Å |
| 302 | A | 39.1 | Very low | 36.8 | Very low | 37 Ų | 37 | 91.7 Ų | 91.7 | 31% | 0.306 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -53.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S298 M304 L305 S306 | S298-A302 WeakPolarHBondContact O-CA 3.5Å; S298-A302 WeakPolarHBondContact O-CB 3.28Å; S298-A302 PolarHBondContact O-N 3.19Å; A302-M304 PolarHBondContact O-N 2.88Å; A302-M304 VanDerWaalsContact O-N 3.11Å; A302-L305 CarbonylContact O-C 3.59Å; A302-L305 WeakPolarHBondContact O-CA 3.41Å; A302-L305 PolarHBondContact O-N 3.41Å; A302-S306 WeakPolarHBondContact O-CA 3.48Å; A302-S306 WeakPolarHBondContact O-CB 3.44Å; A302-S306 PolarHBondContact O-N 2.87Å; A302-S306 PolarHBondContact O-OG 3.29Å |
| 303 | E | 38.3 | Very low | 36.8 | Very low | 114 Ų | 114 | 91.8 Ų | 91.8 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -51 | -39.6 | 175.4 | -84.9 | -176.5 | 121.9 | 0 | 0 | 112.2 | E299 K300 L305 M307 | E299-E303 WeakPolarHBondContact O-CB 3.41Å; E299-E303 WeakPolarHBondContact O-CG 3.33Å; E299-E303 PolarHBondContact O-N 3.19Å; K300-E303 WeakPolarHBondContact CG-OE2 3.43Å; E303-L305 VanDerWaalsContact C-N 3.29Å; E303-L305 PolarHBondContact O-N 3.28Å; E303-M307 WeakPolarHBondContact O-CG 3.42Å; E303-M307 PolarHBondContact O-N 3.41Å |
| 304 | M | 34.8 | Very low | 36.7 | Very low | 99 Ų | 99 | 93.7 Ų | 93.7 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.4 | -12.6 | 176.4 | -70.5 | -163 | -177.5 | 0 | 0 | 114.9 | K21 K300 V301 A302 | K21-M304 HydrophobicContact CD-SD 4.43Å; K300-M304 WeakPolarHBondContact O-CG 3.49Å; K300-M304 PolarHBondContact O-N 3.06Å; K300-M304 VanDerWaalsContact O-N 3.14Å; V301-M304 CarbonylContact O-C 3.55Å; V301-M304 PolarHBondContact O-N 2.8Å; A302-M304 PolarHBondContact O-N 2.88Å; A302-M304 VanDerWaalsContact O-N 3.11Å |
| 305 | L | 38.1 | Very low | 36.4 | Very low | 85 Ų | 85 | 91.7 Ų | 91.7 | 45% | 0.445 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -113.5 | -17.3 | 177.1 | -65.1 | 172.2 | 0 | 0 | 0 | 113.5 | V301 A302 E303 | V301-L305 HydrophobicContact CG1-CD1 3.81Å; V301-L305 WeakPolarHBondContact O-CB 3.17Å; V301-L305 VanDerWaalsContact O-CG 3.26Å; V301-L305 WeakPolarHBondContact O-CG 3.47Å; V301-L305 PolarHBondContact O-N 3.03Å; A302-L305 CarbonylContact O-C 3.59Å; A302-L305 WeakPolarHBondContact O-CA 3.41Å; A302-L305 PolarHBondContact O-N 3.41Å; E303-L305 VanDerWaalsContact C-N 3.29Å; E303-L305 PolarHBondContact O-N 3.28Å |
| 306 | S | 37.8 | Very low | 36.1 | Very low | 85 Ų | 85 | 91 Ų | 91 | 59% | 0.594 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -108.7 | -0.9 | -175.3 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | A302 G308 | A302-S306 WeakPolarHBondContact O-CA 3.48Å; A302-S306 WeakPolarHBondContact O-CB 3.44Å; A302-S306 PolarHBondContact O-N 2.87Å; A302-S306 PolarHBondContact O-OG 3.29Å; S306-G308 PolarHBondContact O-N 3.42Å |
| 307 | M | 33.1 | Very low | 36 | Very low | 146 Ų | 146 | 93.7 Ų | 93.7 | 72% | 0.719 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -62.2 | 51.9 | 135 | -72.1 | -169.7 | -67.2 | 0 | 0 | 111.7 | E303 | E303-M307 WeakPolarHBondContact O-CG 3.42Å; E303-M307 PolarHBondContact O-N 3.41Å |
| 308 | G | 31 | Very low | 35.6 | Very low | 44 Ų | 44 | 97.1 Ų | 97.1 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | trans | -90.5 | 176.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S306 | S306-G308 PolarHBondContact O-N 3.42Š| ||
| 309 | P | 28.7 | Very low | 35.7 | Very low | 131 Ų | 131 | 97.8 Ų | 97.8 | 85% | 0.851 | 52% | 0.521 | S | S | * | . | S | Bend | cis | -120.7 | 88.2 | 4.1 | 35.2 | -18.4 | 0 | 0 | 0 | 111.4 | ||
| 310 | E | 29.5 | Very low | 36 | Very low | 110 Ų | 110 | 94.5 Ų | 94.5 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | trans | -142 | 7.9 | -177.2 | -91 | -138.2 | 106.5 | 0 | 0 | 115.2 | N312 R321 | E310-N312 VanDerWaalsContact C-N 3.34Å; E310-N312 PolarHBondContact O-N 2.91Å; E310-N312 VanDerWaalsContact O-N 3.12Å; E310-R321 PolarHBondContact O-NH1 2.9Å; E310-R321 PolarHBondContact O-NH2 2.64Å; E310-R321 IonicContact OE1-CZ 2.8Å; E310-R321 IonicContact OE1-NE 2.68Å; E310-R321 PolarHBondContact OE1-NE 3.07Å; E310-R321 IonicContact OE1-NH2 3.13Å; E310-R321 PolarHBondContact OE1-NH2 3.02Å; E310-R321 VanDerWaalsContact OE2-CD 3.28Å; E310-R321 WeakPolarHBondContact OE2-CD 3.43Å; E310-R321 IonicContact OE2-CZ 3.41Å; E310-R321 IonicContact OE2-NE 3.42Å; E310-R321 PolarHBondContact OE2-NE 3.21Å; E310-R321 IonicContact OE2-NH2 3.58Å | ||
| 311 | L | 34 | Very low | 36.5 | Very low | 109 Ų | 109 | 96.8 Ų | 96.8 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | trans | -88.3 | 45.9 | -170.7 | -92.7 | 160.6 | 0 | 0 | 0 | 114.8 | P313 | L311-P313 WeakPolarHBondContact O-CD 3.4Å; L311-P313 VanDerWaalsContact O-CG 3.3Å; L311-P313 WeakPolarHBondContact O-CG 3.3Å | ||
| 312 | N | 30.4 | Very low | 37.3 | Very low | 91 Ų | 91 | 97 Ų | 97 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | trans | -67 | 105.5 | 177.6 | -72.7 | 35.2 | 0 | 0 | 0 | 112.6 | A118 E310 E314 | A118-N312 VanDerWaalsContact CB-CA 3.5Å; A118-N312 HydrophobicContact CB-CB 4.16Å; A118-N312 VanDerWaalsContact CB-OD1 3.26Å; A118-N312 WeakPolarHBondContact CB-OD1 3.49Å; E310-N312 VanDerWaalsContact C-N 3.34Å; E310-N312 PolarHBondContact O-N 2.91Å; E310-N312 VanDerWaalsContact O-N 3.12Å; N312-E314 VanDerWaalsContact C-N 3.3Å; N312-E314 PolarHBondContact O-N 3.01Å | ||
| 313 | P | 32.1 | Very low | 38.6 | Very low | 55 Ų | 55 | 99.3 Ų | 99.3 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.1 | -173.5 | -11.5 | 32.2 | 0 | 0 | 0 | 113.5 | N117 L311 K316 | N117-P313 HydrophobicContact CB-CG 3.91Å; L311-P313 WeakPolarHBondContact O-CD 3.4Å; L311-P313 VanDerWaalsContact O-CG 3.3Å; L311-P313 WeakPolarHBondContact O-CG 3.3Å; P313-K316 VanDerWaalsContact O-CE 3.24Å; P313-K316 WeakPolarHBondContact O-CE 3.31Å; P313-K316 WeakPolarHBondContact O-CG 3.21Å |
| 314 | E | 33 | Very low | 40.2 | Very low | 122 Ų | 122 | 98.2 Ų | 98.2 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -13.2 | -176.4 | -68.2 | -74 | 93.4 | 0 | 0 | 113.3 | N312 K316 | N312-E314 VanDerWaalsContact C-N 3.3Å; N312-E314 PolarHBondContact O-N 3.01Å; E314-K316 PolarHBondContact O-N 3.5Å; E314-K316 WeakPolarHBondContact OE1-CE 3.24Å; E314-K316 IonicContact OE1-NZ 2.76Å; E314-K316 PolarHBondContact OE1-NZ 3.23Å |
| 315 | Q | 27.7 | Very low | 42.3 | Very low | 95 Ų | 95 | 102.5 Ų | 102.5 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | trans | -76.3 | 46.6 | 173.9 | -91.8 | -171.6 | -20 | 0 | 0 | 112.6 | L317 H318 | Q315-L317 PolarHBondContact O-N 2.88Å; Q315-H318 PolarHBondContact O-N 2.86Å | ||
| 316 | K | 31.8 | Very low | 44.5 | Very low | 140 Ų | 140 | 99.7 Ų | 99.7 | 61% | 0.609 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 7.9 | -163.3 | -73.1 | 166.5 | 171.8 | 155.5 | 0 | 117.5 | P313 E314 | P313-K316 VanDerWaalsContact O-CE 3.24Å; P313-K316 WeakPolarHBondContact O-CE 3.31Å; P313-K316 WeakPolarHBondContact O-CG 3.21Å; E314-K316 PolarHBondContact O-N 3.5Å; E314-K316 WeakPolarHBondContact OE1-CE 3.24Å; E314-K316 IonicContact OE1-NZ 2.76Å; E314-K316 PolarHBondContact OE1-NZ 3.23Å |
| 317 | L | 40.2 | Very low | 46.8 | Very low | 170 Ų | 170 | 98 Ų | 98 | 89% | 0.89 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | -1.2 | 171.3 | -93.3 | 95.4 | 0 | 0 | 0 | 115 | Q315 S319 | Q315-L317 PolarHBondContact O-N 2.88Å; L317-S319 PolarHBondContact O-N 3.41Å |
| 318 | H | 35.1 | Very low | 49.3 | Very low | 118 Ų | 118 | 94.3 Ų | 94.3 | 55% | 0.546 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 132.5 | -174.6 | -80.3 | -100.2 | 0 | 0 | 0 | 112.7 | Q315 | Q315-H318 PolarHBondContact O-N 2.86Š|
| 319 | S | 45.1 | Very low | 51.8 | Low | 61 Ų | 61 | 93.5 Ų | 93.5 | 43% | 0.427 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 144.9 | -179.8 | 71.6 | 0 | 0 | 0 | 0 | 111.1 | L317 K328 | L317-S319 PolarHBondContact O-N 3.41Å; S319-K328 PolarHBondContact OG-NZ 3.18Å |
| 320 | P | 48.1 | Very low | 54.3 | Low | 40 Ų | 40 | 90.1 Ų | 90.1 | 26% | 0.26 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 144.5 | -169 | 26.4 | -35.8 | 0 | 0 | 0 | 111.1 | V8 I322 L416 | V8-P320 HydrophobicContact CB-CG 4.47Å; V8-P320 HydrophobicContact CG1-CB 3.98Å; V8-P320 HydrophobicContact CG1-CG 3.73Å; V8-P320 HydrophobicContact CG2-CG 3.87Å; P320-I322 WeakPolarHBondContact O-CG1 3.35Å; P320-I322 PolarHBondContact O-N 2.97Å; P320-L416 HydrophobicContact CG-CD2 3.98Å |
| 321 | R | 52.9 | Low | 56.9 | Low | 147 Ų | 147 | 85.3 Ų | 85.3 | 56% | 0.555 | 42% | 0.424 | S | S | * | . | trans | -59.7 | 110.6 | 175.8 | -73 | -169.3 | 174.5 | 97.7 | -2.3 | 109.4 | E310 | E310-R321 PolarHBondContact O-NH1 2.9Å; E310-R321 PolarHBondContact O-NH2 2.64Å; E310-R321 IonicContact OE1-CZ 2.8Å; E310-R321 IonicContact OE1-NE 2.68Å; E310-R321 PolarHBondContact OE1-NE 3.07Å; E310-R321 IonicContact OE1-NH2 3.13Å; E310-R321 PolarHBondContact OE1-NH2 3.02Å; E310-R321 VanDerWaalsContact OE2-CD 3.28Å; E310-R321 WeakPolarHBondContact OE2-CD 3.43Å; E310-R321 IonicContact OE2-CZ 3.41Å; E310-R321 IonicContact OE2-NE 3.42Å; E310-R321 PolarHBondContact OE2-NE 3.21Å; E310-R321 IonicContact OE2-NH2 3.58Å | ||
| 322 | I | 62.9 | Low | 59.4 | Low | 37 Ų | 37 | 84.9 Ų | 84.9 | 19% | 0.19 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -96 | 140.7 | 176.2 | -32.9 | -170.6 | 0 | 0 | 0 | 107.2 | P320 T326 K328 T408 | P320-I322 WeakPolarHBondContact O-CG1 3.35Å; P320-I322 PolarHBondContact O-N 2.97Å; I322-T326 WeakPolarHBondContact CG2-OG1 3.39Å; I322-K328 HydrophobicContact CD1-CD 3.98Å; I322-K328 HydrophobicContact CD1-CG 3.38Å; I322-T408 HydrophobicContact CG2-CG2 3.75Å |
| 323 | H | 65.7 | Low | 62.2 | Low | 87 Ų | 87 | 85.3 Ų | 85.3 | 40% | 0.403 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 137 | -178.9 | -170.8 | -68 | 0 | 0 | 0 | 110.9 | F325 T326 | H323-F325 PolarHBondContact O-N 3.47Å; H323-T326 HydrophobicContact CB-CG2 4.05Å; H323-T326 WeakPolarHBondContact O-CB 3.26Å; H323-T326 PolarHBondContact O-N 3.46Å; H323-T326 PolarHBondContact O-OG1 3.46Å |
| 324 | P | 72.5 | Confident | 64.9 | Low | 90 Ų | 90 | 83.5 Ų | 83.5 | 58% | 0.584 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 142.6 | 176.8 | 20.8 | -32.8 | 0 | 0 | 0 | 111.2 | ||
| 325 | F | 79.3 | Confident | 67.4 | Low | 189 Ų | 189 | 79.1 Ų | 79.1 | 83% | 0.829 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 46.4 | -171.4 | -50.8 | -82.4 | 0 | 0 | 0 | 114.2 | H323 R406 | H323-F325 PolarHBondContact O-N 3.47Å; F325-R406 WeakPolarHBondContact O-CD 3.44Å; F325-R406 PolarHBondContact O-NH1 3.04Å |
| 326 | T | 83.9 | Confident | 70.4 | Confident | 26 Ų | 26 | 79 Ų | 79 | 16% | 0.16 | 41% | 0.409 | C | S | . | . | trans | -130.7 | 148.6 | 164.6 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | I322 H323 R406 | I322-T326 WeakPolarHBondContact CG2-OG1 3.39Å; H323-T326 HydrophobicContact CB-CG2 4.05Å; H323-T326 WeakPolarHBondContact O-CB 3.26Å; H323-T326 PolarHBondContact O-N 3.46Å; H323-T326 PolarHBondContact O-OG1 3.46Å; T326-R406 CarbonylContact C-O 3.59Å; T326-R406 WeakPolarHBondContact CA-O 3.28Å; T326-R406 VanDerWaalsContact CB-O 3.31Å; T326-R406 WeakPolarHBondContact CB-O 3.32Å | ||
| 327 | L | 85.9 | Confident | 73.2 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -113.7 | 126.9 | -166.6 | -174.4 | 62.4 | 0 | 0 | 0 | 111.6 | H329 V333 K334 I403 R406 T407 T408 | L327-H329 PolarHBondContact O-N 2.85Å; L327-V333 HydrophobicContact CD1-CB 4.39Å; L327-K334 HydrophobicContact CD2-CB 3.93Å; L327-K334 HydrophobicContact CD2-CD 4.13Å; L327-K334 HydrophobicContact CD2-CG 4.43Å; L327-K334 HydrophobicContact CG-CB 4.2Å; L327-I403 HydrophobicContact CD2-CG2 4.09Å; L327-R406 PolarHBondContact N-O 3.41Å; L327-T407 HydrophobicContact CB-CG2 4.02Å; L327-T407 HydrophobicContact CD2-CG2 4.04Å; L327-T407 HydrophobicContact CG-CG2 4.3Å; L327-T407 VanDerWaalsContact O-CA 3.32Å; L327-T407 WeakPolarHBondContact O-CA 3.47Å; L327-T408 PolarHBondContact O-N 3.4Å |
| 328 | K | 85.1 | Confident | 75.4 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 29% | 0.291 | 35% | 0.347 | S | S | . | . | trans | -62.1 | 120.5 | 174.5 | -69.2 | 171.7 | 172.6 | 171.3 | 0 | 109.8 | S319 I322 Y330 G331 | S319-K328 PolarHBondContact OG-NZ 3.18Å; I322-K328 HydrophobicContact CD1-CD 3.98Å; I322-K328 HydrophobicContact CD1-CG 3.38Å; K328-Y330 HydrophobicContact CB-CD1 4.33Å; K328-Y330 HydrophobicContact CB-CE1 4.1Å; K328-Y330 HydrophobicContact CD-CE1 4.47Å; K328-Y330 HydrophobicContact CD-CE2 4.3Å; K328-Y330 HydrophobicContact CG-CE1 4.23Å; K328-Y330 PolarHBondContact O-N 3.13Å; K328-G331 WeakPolarHBondContact O-CA 3.29Å; K328-G331 PolarHBondContact O-N 3.05Å | ||
| 329 | H | 84.2 | Confident | 77.9 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 13% | 0.125 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.4 | 177.3 | 61.1 | -95.2 | 0 | 0 | 0 | 113.9 | L327 G331 T408 V410 L416 | L327-H329 PolarHBondContact O-N 2.85Å; H329-G331 VanDerWaalsContact C-N 3.31Å; H329-T408 WeakPolarHBondContact CB-O 3.5Å; H329-T408 PolarHBondContact N-OG1 2.97Å; H329-T408 PolarHBondContact ND1-O 2.78Å; H329-T408 PolarHBondContact ND1-OG1 3.24Å; H329-T408 VanDerWaalsContact ND1-OG1 3.08Å; H329-V410 WeakPolarHBondContact CE1-CG2 3.31Å; H329-L416 VanDerWaalsContact CE1-CD1 3.5Å; H329-L416 WeakPolarHBondContact CE1-CD1 3.39Å |
| 330 | Y | 82.2 | Confident | 80 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 24% | 0.239 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 5.1 | 174.7 | 66.5 | -89.4 | 0 | 0 | 0 | 113 | R5 K328 | R5-Y330 HydrophobicContact CG-CD2 4.38Å; R5-Y330 HydrophobicContact CG-CG 4.26Å; K328-Y330 HydrophobicContact CB-CD1 4.33Å; K328-Y330 HydrophobicContact CB-CE1 4.1Å; K328-Y330 HydrophobicContact CD-CE1 4.47Å; K328-Y330 HydrophobicContact CD-CE2 4.3Å; K328-Y330 HydrophobicContact CG-CE1 4.23Å; K328-Y330 PolarHBondContact O-N 3.13Å |
| 331 | G | 82.8 | Confident | 81.9 | Confident | 9 Ų | 9 | 67 Ų | 67 | 9% | 0.093 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -76.4 | 147.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K328 H329 V333 K334 A335 | K328-G331 WeakPolarHBondContact O-CA 3.29Å; K328-G331 PolarHBondContact O-N 3.05Å; H329-G331 VanDerWaalsContact C-N 3.31Å; G331-V333 VanDerWaalsContact C-N 3.29Å; G331-V333 PolarHBondContact O-N 3.17Å; G331-K334 PolarHBondContact O-N 2.87Å; G331-K334 VanDerWaalsContact O-N 3.13Å; G331-A335 PolarHBondContact O-N 3.17Å |
| 332 | P | 87.5 | Confident | 83.5 | Confident | 100 Ų | 100 | 61.1 Ų | 61.1 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.2 | -36.1 | -175.8 | 24.5 | -33.9 | 0 | 0 | 0 | 112.7 | K334 A335 V336 | P332-K334 PolarHBondContact O-N 3.03Å; P332-A335 WeakPolarHBondContact O-CB 3.47Å; P332-A335 PolarHBondContact O-N 3.39Å; P332-V336 WeakPolarHBondContact O-CG2 3.48Å; P332-V336 PolarHBondContact O-N 3.15Å |
| 333 | V | 89 | Confident | 84.7 | Confident | 100 Ų | 100 | 64.5 Ų | 64.5 | 61% | 0.606 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.8 | -44.5 | 176.2 | -180 | 0 | 0 | 0 | 0 | 111.4 | L327 G331 A335 V336 W337 | L327-V333 HydrophobicContact CD1-CB 4.39Å; G331-V333 VanDerWaalsContact C-N 3.29Å; G331-V333 PolarHBondContact O-N 3.17Å; V333-A335 VanDerWaalsContact C-N 3.33Å; V333-A335 PolarHBondContact O-N 2.86Å; V333-V336 PolarHBondContact O-N 3.01Å; V333-W337 WeakPolarHBondContact O-CB 3.45Å; V333-W337 PolarHBondContact O-N 2.91Å |
| 334 | K | 88 | Confident | 85.9 | Confident | 17 Ų | 17 | 62 Ų | 62 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68 | -33.4 | 176.1 | -173.3 | 53 | 165.2 | 71.7 | 0 | 111.7 | L327 G331 P332 D338 I403 T407 | L327-K334 HydrophobicContact CD2-CB 3.93Å; L327-K334 HydrophobicContact CD2-CD 4.13Å; L327-K334 HydrophobicContact CD2-CG 4.43Å; L327-K334 HydrophobicContact CG-CB 4.2Å; G331-K334 PolarHBondContact O-N 2.87Å; G331-K334 VanDerWaalsContact O-N 3.13Å; P332-K334 PolarHBondContact O-N 3.03Å; K334-D338 VanDerWaalsContact NZ-CG 3.34Å; K334-D338 IonicContact NZ-OD1 2.83Å; K334-D338 PolarHBondContact NZ-OD1 2.66Å; K334-D338 IonicContact NZ-OD2 3.21Å; K334-D338 PolarHBondContact NZ-OD2 2.78Å; K334-D338 WeakPolarHBondContact O-CB 3.39Å; K334-D338 PolarHBondContact O-N 3.18Å; K334-I403 HydrophobicContact CD-CG2 4.29Å; K334-T407 HydrophobicContact CD-CG2 3.87Å; K334-T407 VanDerWaalsContact CE-CG2 3.44Å; K334-T407 HydrophobicContact CG-CG2 4.33Å |
| 335 | A | 86.2 | Confident | 86.7 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 24% | 0.24 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G331 P332 V333 D338 W339 | G331-A335 PolarHBondContact O-N 3.17Å; P332-A335 WeakPolarHBondContact O-CB 3.47Å; P332-A335 PolarHBondContact O-N 3.39Å; V333-A335 VanDerWaalsContact C-N 3.33Å; V333-A335 PolarHBondContact O-N 2.86Å; A335-D338 WeakPolarHBondContact O-CB 3.45Å; A335-D338 PolarHBondContact O-N 3.25Å; A335-W339 PolarHBondContact O-N 2.93Å |
| 336 | V | 89.7 | Confident | 87.1 | Confident | 92 Ų | 92 | 53.1 Ų | 53.1 | 56% | 0.558 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.5 | -45.8 | 175.2 | 173.9 | 0 | 0 | 0 | 0 | 111 | P332 V333 D338 W339 L340 | P332-V336 WeakPolarHBondContact O-CG2 3.48Å; P332-V336 PolarHBondContact O-N 3.15Å; V333-V336 PolarHBondContact O-N 3.01Å; V336-D338 VanDerWaalsContact C-N 3.25Å; V336-D338 PolarHBondContact O-N 3.41Å; V336-W339 PolarHBondContact O-N 3.33Å; V336-W339 VanDerWaalsContact O-N 3.11Å; V336-L340 HydrophobicContact CG1-CD1 4.5Å; V336-L340 PolarHBondContact O-N 3.31Å; V336-L340 VanDerWaalsContact O-N 3.08Å |
| 337 | W | 90.6 | Very high | 87.5 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 17% | 0.167 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -39.7 | 173 | -175.7 | -97 | 0 | 0 | 0 | 111.8 | V333 W339 L340 V341 M396 V399 D400 I403 | V333-W337 WeakPolarHBondContact O-CB 3.45Å; V333-W337 PolarHBondContact O-N 2.91Å; W337-W339 PolarHBondContact O-N 3.31Å; W337-L340 PolarHBondContact O-N 2.87Å; W337-V341 HydrophobicContact CD2-CG2 4.41Å; W337-V341 HydrophobicContact CG-CG2 4.41Å; W337-V341 HydrophobicContact CZ2-CG2 4.23Å; W337-V341 WeakPolarHBondContact O-CB 3.4Å; W337-V341 WeakPolarHBondContact O-CG2 3.39Å; W337-V341 PolarHBondContact O-N 3.35Å; W337-M396 HydrophobicContact CH2-SD 4.11Å; W337-V399 HydrophobicContact CH2-CB 4.3Å; W337-V399 HydrophobicContact CH2-CG1 3.76Å; W337-V399 HydrophobicContact CZ2-CB 4.38Å; W337-V399 HydrophobicContact CZ2-CG1 3.97Å; W337-D400 HydrophobicContact CZ2-CB 4.26Å; W337-D400 PolarHBondContact NE1-OD1 2.86Å; W337-I403 HydrophobicContact CD2-CD1 3.79Å; W337-I403 VanDerWaalsContact CE2-CD1 3.41Å; W337-I403 HydrophobicContact CE3-CD1 4.26Å; W337-I403 HydrophobicContact CG-CD1 4.32Å; W337-I403 HydrophobicContact CH2-CD1 4.12Å; W337-I403 HydrophobicContact CZ2-CD1 3.62Å; W337-I403 HydrophobicContact CZ3-CD1 4.41Å |
| 338 | D | 86.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -29.7 | 177.7 | -87.1 | -22.9 | 0 | 0 | 0 | 113.7 | K334 A335 V336 L342 K475 R478 | K334-D338 VanDerWaalsContact NZ-CG 3.34Å; K334-D338 IonicContact NZ-OD1 2.83Å; K334-D338 PolarHBondContact NZ-OD1 2.66Å; K334-D338 IonicContact NZ-OD2 3.21Å; K334-D338 PolarHBondContact NZ-OD2 2.78Å; K334-D338 WeakPolarHBondContact O-CB 3.39Å; K334-D338 PolarHBondContact O-N 3.18Å; A335-D338 WeakPolarHBondContact O-CB 3.45Å; A335-D338 PolarHBondContact O-N 3.25Å; V336-D338 VanDerWaalsContact C-N 3.25Å; V336-D338 PolarHBondContact O-N 3.41Å; D338-L342 PolarHBondContact O-N 3.03Å; D338-K475 VanDerWaalsContact CA-NZ 3.3Å; D338-K475 VanDerWaalsContact CG-CE 3.44Å; D338-K475 PolarHBondContact O-NZ 2.97Å; D338-K475 WeakPolarHBondContact OD1-CE 3.19Å; D338-K475 IonicContact OD1-NZ 3.62Å; D338-K475 PolarHBondContact OD1-NZ 2.87Å; D338-R478 IonicContact OD2-CZ 2.87Å; D338-R478 IonicContact OD2-NH1 3.98Å; D338-R478 PolarHBondContact OD2-NH1 2.98Å; D338-R478 IonicContact OD2-NH2 2.93Å; D338-R478 PolarHBondContact OD2-NH2 2.98Å |
| 339 | W | 87.1 | Confident | 87.9 | Confident | 153 Ų | 153 | 49.3 Ų | 49.3 | 58% | 0.58 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -79.3 | -40.2 | 173.2 | -76.2 | 111.7 | 0 | 0 | 0 | 112.9 | A335 V336 W337 V341 L342 L343 Y479 | A335-W339 PolarHBondContact O-N 2.93Å; V336-W339 PolarHBondContact O-N 3.33Å; V336-W339 VanDerWaalsContact O-N 3.11Å; W337-W339 PolarHBondContact O-N 3.31Å; W339-V341 VanDerWaalsContact C-N 3.35Å; W339-V341 PolarHBondContact O-N 2.93Å; W339-L342 HydrophobicContact CE3-CD2 3.83Å; W339-L342 HydrophobicContact CZ3-CD2 3.79Å; W339-L342 WeakPolarHBondContact O-CB 3.14Å; W339-L342 PolarHBondContact O-N 3.02Å; W339-L342 VanDerWaalsContact O-N 3.14Å; W339-L343 PolarHBondContact O-N 2.88Å; W339-Y479 HydrophobicContact CH2-CD1 4.24Å; W339-Y479 AromaticContact CH2-CE1 3.47Å; W339-Y479 HydrophobicContact CH2-CE1 3.47Å; W339-Y479 VanDerWaalsContact CH2-CE1 3.47Å; W339-Y479 AromaticContact CZ2-CE1 3.67Å; W339-Y479 HydrophobicContact CZ2-CE1 3.67Å; W339-Y479 HydrophobicContact CZ3-CE1 4.02Å |
| 340 | L | 90 | Very high | 88.3 | Confident | 76 Ų | 76 | 51 Ų | 51 | 40% | 0.398 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.4 | -68.3 | 173.6 | 0 | 0 | 0 | 111.3 | V336 W337 L342 L343 F344 | V336-L340 HydrophobicContact CG1-CD1 4.5Å; V336-L340 PolarHBondContact O-N 3.31Å; V336-L340 VanDerWaalsContact O-N 3.08Å; W337-L340 PolarHBondContact O-N 2.87Å; L340-L342 VanDerWaalsContact C-N 3.3Å; L340-L342 PolarHBondContact O-N 2.95Å; L340-L343 WeakPolarHBondContact O-CB 3.45Å; L340-L343 PolarHBondContact O-N 2.72Å; L340-F344 HydrophobicContact CB-CE2 4.4Å; L340-F344 WeakPolarHBondContact O-CD2 3.49Å; L340-F344 WeakPolarHBondContact O-CG 3.32Å; L340-F344 PolarHBondContact O-N 3.13Å |
| 341 | V | 88.3 | Confident | 88.6 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 173 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | W337 W339 F344 V345 F397 D400 | W337-V341 HydrophobicContact CD2-CG2 4.41Å; W337-V341 HydrophobicContact CG-CG2 4.41Å; W337-V341 HydrophobicContact CZ2-CG2 4.23Å; W337-V341 WeakPolarHBondContact O-CB 3.4Å; W337-V341 WeakPolarHBondContact O-CG2 3.39Å; W337-V341 PolarHBondContact O-N 3.35Å; W339-V341 VanDerWaalsContact C-N 3.35Å; W339-V341 PolarHBondContact O-N 2.93Å; V341-F344 PolarHBondContact O-N 2.84Å; V341-V345 HydrophobicContact CG1-CG2 4.47Å; V341-V345 WeakPolarHBondContact O-CG2 3.42Å; V341-V345 PolarHBondContact O-N 3.21Å; V341-F397 HydrophobicContact CG1-CE1 4.2Å; V341-D400 HydrophobicContact CG2-CB 4.36Å |
| 342 | L | 86 | Confident | 88.8 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.7 | 178.8 | 61.7 | 0 | 0 | 0 | 111.9 | D338 W339 L340 F344 V345 I346 V472 Y479 | D338-L342 PolarHBondContact O-N 3.03Å; W339-L342 HydrophobicContact CE3-CD2 3.83Å; W339-L342 HydrophobicContact CZ3-CD2 3.79Å; W339-L342 WeakPolarHBondContact O-CB 3.14Å; W339-L342 PolarHBondContact O-N 3.02Å; W339-L342 VanDerWaalsContact O-N 3.14Å; L340-L342 VanDerWaalsContact C-N 3.3Å; L340-L342 PolarHBondContact O-N 2.95Å; L342-F344 PolarHBondContact O-N 3.11Å; L342-V345 PolarHBondContact O-N 3.25Å; L342-I346 HydrophobicContact CD1-CD1 4.17Å; L342-I346 HydrophobicContact CD1-CG1 4.34Å; L342-I346 HydrophobicContact CG-CD1 3.98Å; L342-I346 WeakPolarHBondContact O-CG1 3.48Å; L342-I346 PolarHBondContact O-N 3.24Å; L342-V472 HydrophobicContact CD1-CB 4.39Å; L342-V472 HydrophobicContact CD1-CG1 3.95Å; L342-V472 HydrophobicContact CD1-CG2 3.66Å; L342-Y479 HydrophobicContact CD2-CE2 4.27Å |
| 343 | L | 88.8 | Confident | 88.9 | Confident | 107 Ų | 107 | 45.2 Ų | 45.2 | 56% | 0.56 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.1 | -45.6 | 176.7 | -178.5 | 63 | 0 | 0 | 0 | 111.7 | W339 L340 V345 I346 Y347 | W339-L343 PolarHBondContact O-N 2.88Å; L340-L343 WeakPolarHBondContact O-CB 3.45Å; L340-L343 PolarHBondContact O-N 2.72Å; L343-V345 VanDerWaalsContact C-N 3.33Å; L343-V345 PolarHBondContact O-N 3.05Å; L343-I346 PolarHBondContact O-N 3.32Å; L343-Y347 PolarHBondContact O-N 2.86Å |
| 344 | F | 90.3 | Very high | 89 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -35.9 | 175.5 | -62 | -43.1 | 0 | 0 | 0 | 112.8 | L340 V341 L342 Y347 T348 F392 V393 M396 F397 | L340-F344 HydrophobicContact CB-CE2 4.4Å; L340-F344 WeakPolarHBondContact O-CD2 3.49Å; L340-F344 WeakPolarHBondContact O-CG 3.32Å; L340-F344 PolarHBondContact O-N 3.13Å; V341-F344 PolarHBondContact O-N 2.84Å; L342-F344 PolarHBondContact O-N 3.11Å; F344-Y347 PolarHBondContact O-N 2.97Å; F344-T348 WeakPolarHBondContact O-CG2 3.47Å; F344-T348 PolarHBondContact O-N 3.17Å; F344-T348 PolarHBondContact O-OG1 3.34Å; F344-F392 HydrophobicContact CE1-CE1 4.09Å; F344-F392 AromaticContact CZ-CE1 3.94Å; F344-F392 HydrophobicContact CZ-CE1 3.94Å; F344-V393 HydrophobicContact CB-CG1 4.41Å; F344-V393 HydrophobicContact CD1-CG2 4.01Å; F344-M396 HydrophobicContact CD2-CB 3.98Å; F344-M396 HydrophobicContact CD2-CG 4.33Å; F344-M396 HydrophobicContact CE2-CB 3.79Å; F344-M396 HydrophobicContact CE2-CG 3.67Å; F344-M396 HydrophobicContact CE2-SD 4.27Å; F344-M396 HydrophobicContact CZ-CB 4.45Å; F344-M396 HydrophobicContact CZ-CG 3.91Å; F344-F397 HydrophobicContact CB-CE1 4.14Å; F344-F397 HydrophobicContact CB-CE2 4.09Å; F344-F397 HydrophobicContact CB-CZ 3.54Å |
| 345 | V | 89.1 | Confident | 88.9 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | V341 L342 L343 Y347 T348 A349 F397 R468 L469 V472 | V341-V345 HydrophobicContact CG1-CG2 4.47Å; V341-V345 WeakPolarHBondContact O-CG2 3.42Å; V341-V345 PolarHBondContact O-N 3.21Å; L342-V345 PolarHBondContact O-N 3.25Å; L343-V345 VanDerWaalsContact C-N 3.33Å; L343-V345 PolarHBondContact O-N 3.05Å; V345-Y347 VanDerWaalsContact C-N 3.34Å; V345-Y347 PolarHBondContact O-N 2.83Å; V345-T348 PolarHBondContact O-N 2.79Å; V345-T348 PolarHBondContact O-OG1 3.19Å; V345-A349 WeakPolarHBondContact O-CB 3.39Å; V345-A349 PolarHBondContact O-N 3.03Å; V345-F397 HydrophobicContact CG2-CE1 3.86Å; V345-F397 HydrophobicContact CG2-CZ 3.9Å; V345-R468 HydrophobicContact CG1-CB 4.38Å; V345-R468 HydrophobicContact CG2-CB 4.19Å; V345-L469 HydrophobicContact CG1-CD2 3.72Å; V345-L469 HydrophobicContact CG1-CG 4.05Å; V345-V472 HydrophobicContact CB-CG2 4.36Å; V345-V472 HydrophobicContact CG1-CG2 3.67Å |
| 346 | I | 88.3 | Confident | 88.7 | Confident | 91 Ų | 91 | 43.1 Ų | 43.1 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.7 | -46 | 176.6 | -68 | 165.6 | 0 | 0 | 0 | 110.6 | L342 L343 T348 A349 V350 | L342-I346 HydrophobicContact CD1-CD1 4.17Å; L342-I346 HydrophobicContact CD1-CG1 4.34Å; L342-I346 HydrophobicContact CG-CD1 3.98Å; L342-I346 WeakPolarHBondContact O-CG1 3.48Å; L342-I346 PolarHBondContact O-N 3.24Å; L343-I346 PolarHBondContact O-N 3.32Å; I346-T348 PolarHBondContact O-N 3.22Å; I346-A349 PolarHBondContact O-N 3.36Å; I346-V350 PolarHBondContact O-N 2.71Å |
| 347 | Y | 91.2 | Very high | 88.6 | Confident | 63 Ų | 63 | 39.4 Ų | 39.4 | 25% | 0.247 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.3 | -51 | 173.7 | 172.9 | -99.5 | 0 | 0 | 0 | 111.6 | L343 F344 V345 A349 V350 F351 I389 V393 | L343-Y347 PolarHBondContact O-N 2.86Å; F344-Y347 PolarHBondContact O-N 2.97Å; V345-Y347 VanDerWaalsContact C-N 3.34Å; V345-Y347 PolarHBondContact O-N 2.83Å; Y347-A349 VanDerWaalsContact C-N 3.31Å; Y347-A349 PolarHBondContact O-N 2.75Å; Y347-V350 PolarHBondContact O-N 3.46Å; Y347-F351 HydrophobicContact CD2-CB 4.45Å; Y347-F351 HydrophobicContact CE1-CB 4.27Å; Y347-F351 HydrophobicContact CE1-CD1 4.28Å; Y347-F351 HydrophobicContact CE2-CB 4.03Å; Y347-F351 HydrophobicContact CE2-CG 4.22Å; Y347-F351 AromaticContact CZ-CD1 3.86Å; Y347-F351 AromaticContact CZ-CG 3.89Å; Y347-F351 WeakPolarHBondContact O-CB 3.43Å; Y347-F351 PolarHBondContact O-N 3.14Å; Y347-F351 WeakPolarHBondContact OH-CD1 3.39Å; Y347-I389 HydrophobicContact CE1-CG2 3.95Å; Y347-I389 HydrophobicContact CE2-CG2 4.23Å; Y347-I389 WeakPolarHBondContact OH-CG2 3.35Å; Y347-V393 HydrophobicContact CD1-CG1 4.34Å; Y347-V393 HydrophobicContact CD1-CG2 3.93Å; Y347-V393 HydrophobicContact CE1-CG2 4.07Å |
| 348 | T | 89.5 | Confident | 88.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.2 | -32.6 | -179.7 | 58 | 0 | 0 | 0 | 0 | 113.8 | F344 V345 I346 V350 T352 V393 F397 | F344-T348 WeakPolarHBondContact O-CG2 3.47Å; F344-T348 PolarHBondContact O-N 3.17Å; F344-T348 PolarHBondContact O-OG1 3.34Å; V345-T348 PolarHBondContact O-N 2.79Å; V345-T348 PolarHBondContact O-OG1 3.19Å; I346-T348 PolarHBondContact O-N 3.22Å; T348-V350 VanDerWaalsContact C-N 3.31Å; T348-V350 PolarHBondContact O-N 2.82Å; T348-T352 WeakPolarHBondContact O-CB 3.32Å; T348-T352 PolarHBondContact O-N 3.43Å; T348-T352 VanDerWaalsContact O-N 3.09Å; T348-T352 PolarHBondContact O-OG1 3.26Å; T348-V393 HydrophobicContact CG2-CG1 3.59Å; T348-F397 HydrophobicContact CG2-CE2 4.06Å |
| 349 | A | 90.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70 | -27.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V345 I346 Y347 P353 L469 L496 W500 | V345-A349 WeakPolarHBondContact O-CB 3.39Å; V345-A349 PolarHBondContact O-N 3.03Å; I346-A349 PolarHBondContact O-N 3.36Å; Y347-A349 VanDerWaalsContact C-N 3.31Å; Y347-A349 PolarHBondContact O-N 2.75Å; A349-P353 VanDerWaalsContact O-CD 3.3Å; A349-P353 WeakPolarHBondContact O-CD 3.4Å; A349-P353 WeakPolarHBondContact O-CG 3.32Å; A349-L469 HydrophobicContact CB-CD1 3.98Å; A349-L469 HydrophobicContact CB-CD2 4.07Å; A349-L469 HydrophobicContact CB-CG 4.2Å; A349-L496 HydrophobicContact CB-CD1 3.85Å; A349-L496 HydrophobicContact CB-CD2 4.04Å; A349-L496 WeakPolarHBondContact O-CD1 3.48Å; A349-W500 PolarHBondContact O-NE1 2.89Å |
| 350 | V | 91.6 | Very high | 87.4 | Confident | 63 Ų | 63 | 35.3 Ų | 35.3 | 38% | 0.382 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -93.5 | -42.9 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | I346 Y347 T348 Y354 L496 H499 | I346-V350 PolarHBondContact O-N 2.71Å; Y347-V350 PolarHBondContact O-N 3.46Å; T348-V350 VanDerWaalsContact C-N 3.31Å; T348-V350 PolarHBondContact O-N 2.82Å; V350-Y354 WeakPolarHBondContact O-CB 3.44Å; V350-L496 HydrophobicContact CG2-CD1 3.96Å; V350-H499 PolarHBondContact O-NE2 3.45Å |
| 351 | F | 89.5 | Confident | 86.3 | Confident | 27 Ų | 27 | 33 Ų | 33 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -76.8 | -35.6 | -174.1 | -169.2 | -112.9 | 0 | 0 | 0 | 113.3 | Y347 Y354 A355 L359 L386 | Y347-F351 HydrophobicContact CD2-CB 4.45Å; Y347-F351 HydrophobicContact CE1-CB 4.27Å; Y347-F351 HydrophobicContact CE1-CD1 4.28Å; Y347-F351 HydrophobicContact CE2-CB 4.03Å; Y347-F351 HydrophobicContact CE2-CG 4.22Å; Y347-F351 AromaticContact CZ-CD1 3.86Å; Y347-F351 AromaticContact CZ-CG 3.89Å; Y347-F351 WeakPolarHBondContact O-CB 3.43Å; Y347-F351 PolarHBondContact O-N 3.14Å; Y347-F351 WeakPolarHBondContact OH-CD1 3.39Å; F351-Y354 HydrophobicContact CD2-CD1 4.35Å; F351-Y354 HydrophobicContact CE2-CD1 4.25Å; F351-Y354 PolarHBondContact O-N 3.06Å; F351-A355 HydrophobicContact CE1-CB 4.33Å; F351-A355 HydrophobicContact CZ-CB 4.4Å; F351-A355 VanDerWaalsContact O-CB 3.3Å; F351-A355 WeakPolarHBondContact O-CB 3.47Å; F351-A355 PolarHBondContact O-N 2.9Å; F351-L359 HydrophobicContact CE2-CD1 4.44Å; F351-L359 HydrophobicContact CZ-CD1 4.28Å; F351-L386 HydrophobicContact CE2-CD1 4.34Å; F351-L386 HydrophobicContact CE2-CD2 4.06Å; F351-L386 HydrophobicContact CZ-CB 4.05Å; F351-L386 HydrophobicContact CZ-CD1 4.05Å; F351-L386 HydrophobicContact CZ-CD2 3.97Å; F351-L386 HydrophobicContact CZ-CG 4.24Å |
| 352 | T | 87.1 | Confident | 85.3 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -48.7 | -177.2 | -48.4 | 0 | 0 | 0 | 0 | 113.1 | T348 A355 A356 K462 R465 | T348-T352 WeakPolarHBondContact O-CB 3.32Å; T348-T352 PolarHBondContact O-N 3.43Å; T348-T352 VanDerWaalsContact O-N 3.09Å; T348-T352 PolarHBondContact O-OG1 3.26Å; T352-A355 PolarHBondContact O-N 2.88Å; T352-A356 WeakPolarHBondContact O-CB 3.32Å; T352-A356 PolarHBondContact O-N 3.28Å; T352-K462 HydrophobicContact CG2-CB 4.3Å; T352-K462 WeakPolarHBondContact CG2-O 3.28Å; T352-R465 HydrophobicContact CG2-CB 4.29Å |
| 353 | P | 90 | Very high | 84.2 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 178.2 | -20.2 | 34.5 | 0 | 0 | 0 | 112.2 | A349 A355 A356 A357 L466 C503 | A349-P353 VanDerWaalsContact O-CD 3.3Å; A349-P353 WeakPolarHBondContact O-CD 3.4Å; A349-P353 WeakPolarHBondContact O-CG 3.32Å; P353-A355 PolarHBondContact O-N 3.34Å; P353-A356 PolarHBondContact O-N 3.07Å; P353-A357 WeakPolarHBondContact O-CB 3.39Å; P353-A357 PolarHBondContact O-N 3.48Å; P353-L466 HydrophobicContact CG-CD2 4.18Å; P353-C503 HydrophobicContact CB-CB 4.13Å |
| 354 | Y | 90.4 | Very high | 82.9 | Confident | 62 Ų | 62 | 33.9 Ų | 33.9 | 24% | 0.243 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | 174.7 | 179.7 | -101.7 | 0 | 0 | 0 | 111.9 | V350 F351 F358 L359 Y548 | V350-Y354 WeakPolarHBondContact O-CB 3.44Å; F351-Y354 HydrophobicContact CD2-CD1 4.35Å; F351-Y354 HydrophobicContact CE2-CD1 4.25Å; F351-Y354 PolarHBondContact O-N 3.06Å; Y354-F358 HydrophobicContact CD2-CB 4.36Å; Y354-F358 AromaticContact CD2-CD2 3.57Å; Y354-F358 HydrophobicContact CD2-CD2 3.57Å; Y354-F358 HydrophobicContact CD2-CE2 4.15Å; Y354-F358 HydrophobicContact CD2-CG 4.11Å; Y354-F358 HydrophobicContact CE2-CB 4.09Å; Y354-F358 AromaticContact CE2-CD2 3.87Å; Y354-F358 HydrophobicContact CE2-CD2 3.87Å; Y354-F358 AromaticContact CE2-CG 3.94Å; Y354-F358 HydrophobicContact CE2-CG 3.94Å; Y354-F358 HydrophobicContact CG-CD2 4.37Å; Y354-F358 WeakPolarHBondContact O-CB 3.43Å; Y354-F358 PolarHBondContact O-N 3.34Å; Y354-L359 HydrophobicContact CD1-CD1 4.34Å; Y354-L359 HydrophobicContact CE1-CD1 4.13Å; Y354-L359 HydrophobicContact CE1-CG 4.35Å; Y354-Y548 AromaticContact CD2-CD2 3.91Å; Y354-Y548 HydrophobicContact CD2-CD2 3.91Å; Y354-Y548 HydrophobicContact CD2-CE2 4.09Å; Y354-Y548 HydrophobicContact CD2-CG 4.45Å; Y354-Y548 AromaticContact CE2-CD2 3.98Å; Y354-Y548 HydrophobicContact CE2-CD2 3.98Å; Y354-Y548 HydrophobicContact CE2-CG 4.07Å |
| 355 | A | 85.3 | Confident | 81.5 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 12% | 0.116 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -65.1 | -41.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F351 T352 P353 L359 L360 | F351-A355 HydrophobicContact CE1-CB 4.33Å; F351-A355 HydrophobicContact CZ-CB 4.4Å; F351-A355 VanDerWaalsContact O-CB 3.3Å; F351-A355 WeakPolarHBondContact O-CB 3.47Å; F351-A355 PolarHBondContact O-N 2.9Å; T352-A355 PolarHBondContact O-N 2.88Å; P353-A355 PolarHBondContact O-N 3.34Å; A355-L359 HydrophobicContact CB-CD1 4.21Å; A355-L359 WeakPolarHBondContact O-CB 3.38Å; A355-L359 PolarHBondContact O-N 3.24Å; A355-L360 PolarHBondContact O-N 3.37Å; A355-L360 VanDerWaalsContact O-N 3.1Å |
| 356 | A | 83.5 | Confident | 80.2 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 22% | 0.223 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -64.7 | -44.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T352 P353 | T352-A356 WeakPolarHBondContact O-CB 3.32Å; T352-A356 PolarHBondContact O-N 3.28Å; P353-A356 PolarHBondContact O-N 3.07Å |
| 357 | A | 86.7 | Confident | 78.7 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 11% | 0.107 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -81.9 | -44.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P353 P361 C503 Y506 | P353-A357 WeakPolarHBondContact O-CB 3.39Å; P353-A357 PolarHBondContact O-N 3.48Å; A357-P361 WeakPolarHBondContact O-CD 3.26Å; A357-P361 WeakPolarHBondContact O-CG 3.39Å; A357-C503 HydrophobicContact CB-CB 3.86Å; A357-C503 WeakPolarHBondContact CB-O 3.02Å; A357-Y506 HydrophobicContact CB-CD1 4.48Å; A357-Y506 WeakPolarHBondContact O-CD1 3.42Å; A357-Y506 WeakPolarHBondContact O-CE1 3.35Å |
| 358 | F | 86.4 | Confident | 77 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -98.4 | -44.1 | -171.9 | -64.7 | -92.7 | 0 | 0 | 0 | 113.3 | Y354 Y506 I544 K547 Y548 | Y354-F358 HydrophobicContact CD2-CB 4.36Å; Y354-F358 AromaticContact CD2-CD2 3.57Å; Y354-F358 HydrophobicContact CD2-CD2 3.57Å; Y354-F358 HydrophobicContact CD2-CE2 4.15Å; Y354-F358 HydrophobicContact CD2-CG 4.11Å; Y354-F358 HydrophobicContact CE2-CB 4.09Å; Y354-F358 AromaticContact CE2-CD2 3.87Å; Y354-F358 HydrophobicContact CE2-CD2 3.87Å; Y354-F358 AromaticContact CE2-CG 3.94Å; Y354-F358 HydrophobicContact CE2-CG 3.94Å; Y354-F358 HydrophobicContact CG-CD2 4.37Å; Y354-F358 WeakPolarHBondContact O-CB 3.43Å; Y354-F358 PolarHBondContact O-N 3.34Å; F358-Y506 AromaticContact CD1-CD1 3.51Å; F358-Y506 HydrophobicContact CD1-CD1 3.51Å; F358-Y506 HydrophobicContact CD1-CD2 4.32Å; F358-Y506 AromaticContact CD1-CE1 3.57Å; F358-Y506 HydrophobicContact CD1-CE1 3.57Å; F358-Y506 HydrophobicContact CD1-CE2 4.38Å; F358-Y506 AromaticContact CD1-CG 3.9Å; F358-Y506 HydrophobicContact CD1-CG 3.9Å; F358-Y506 HydrophobicContact CD2-CD1 4.28Å; F358-Y506 AromaticContact CE1-CD1 3.44Å; F358-Y506 HydrophobicContact CE1-CD1 3.44Å; F358-Y506 VanDerWaalsContact CE1-CD1 3.44Å; F358-Y506 AromaticContact CE1-CD2 3.69Å; F358-Y506 HydrophobicContact CE1-CD2 3.69Å; F358-Y506 AromaticContact CE1-CE1 3.9Å; F358-Y506 HydrophobicContact CE1-CE1 3.9Å; F358-Y506 HydrophobicContact CE1-CE2 4.14Å; F358-Y506 AromaticContact CE1-CG 3.31Å; F358-Y506 HydrophobicContact CE1-CG 3.31Å; F358-Y506 HydrophobicContact CE2-CD1 4.22Å; F358-Y506 HydrophobicContact CE2-CG 4.36Å; F358-Y506 AromaticContact CG-CD1 3.94Å; F358-Y506 HydrophobicContact CG-CD1 3.94Å; F358-Y506 HydrophobicContact CG-CE1 4.1Å; F358-Y506 VanDerWaalsContact CZ-CB 3.47Å; F358-Y506 AromaticContact CZ-CD1 3.8Å; F358-Y506 HydrophobicContact CZ-CD1 3.8Å; F358-Y506 HydrophobicContact CZ-CD2 4.3Å; F358-Y506 AromaticContact CZ-CG 3.58Å; F358-Y506 HydrophobicContact CZ-CG 3.58Å; F358-I544 HydrophobicContact CB-CG2 4.26Å; F358-I544 HydrophobicContact CD1-CG2 4.19Å; F358-K547 HydrophobicContact CE1-CB 4.26Å; F358-Y548 HydrophobicContact CD2-CD2 4.44Å; F358-Y548 HydrophobicContact CE1-CD2 4.42Å; F358-Y548 AromaticContact CE2-CD2 3.74Å; F358-Y548 HydrophobicContact CE2-CD2 3.74Å; F358-Y548 AromaticContact CZ-CD2 3.73Å; F358-Y548 HydrophobicContact CZ-CD2 3.73Å; F358-Y548 HydrophobicContact CZ-CG 4.39Å |
| 359 | L | 80 | Confident | 75.3 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 33% | 0.33 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -82.2 | -37.1 | -172.5 | -71 | 167.4 | 0 | 0 | 0 | 113.7 | F351 Y354 A355 D362 A363 | F351-L359 HydrophobicContact CE2-CD1 4.44Å; F351-L359 HydrophobicContact CZ-CD1 4.28Å; Y354-L359 HydrophobicContact CD1-CD1 4.34Å; Y354-L359 HydrophobicContact CE1-CD1 4.13Å; Y354-L359 HydrophobicContact CE1-CG 4.35Å; A355-L359 HydrophobicContact CB-CD1 4.21Å; A355-L359 WeakPolarHBondContact O-CB 3.38Å; A355-L359 PolarHBondContact O-N 3.24Å; L359-D362 PolarHBondContact O-N 2.68Å; L359-A363 VanDerWaalsContact O-CB 3.3Å; L359-A363 WeakPolarHBondContact O-CB 3.23Å; L359-A363 PolarHBondContact O-N 2.82Å |
| 360 | L | 72.4 | Confident | 73.5 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 179.6 | -69.2 | -179.8 | 0 | 0 | 0 | 114.1 | A355 A363 K364 | A355-L360 PolarHBondContact O-N 3.37Å; A355-L360 VanDerWaalsContact O-N 3.1Å; L360-A363 PolarHBondContact O-N 2.92Å; L360-K364 WeakPolarHBondContact O-CG 3.33Å; L360-K364 PolarHBondContact O-N 3.18Å; L360-K364 VanDerWaalsContact O-N 3.13Å |
| 361 | P | 67.7 | Low | 71.4 | Confident | 28 Ų | 28 | 68.7 Ų | 68.7 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.4 | -23.6 | 35.6 | 0 | 0 | 0 | 112.9 | A357 A363 K364 R365 | A357-P361 WeakPolarHBondContact O-CD 3.26Å; A357-P361 WeakPolarHBondContact O-CG 3.39Å; P361-A363 VanDerWaalsContact C-N 3.34Å; P361-A363 PolarHBondContact O-N 3.16Å; P361-K364 PolarHBondContact O-N 2.75Å; P361-R365 VanDerWaalsContact O-CB 3.29Å; P361-R365 WeakPolarHBondContact O-CB 3.16Å; P361-R365 PolarHBondContact O-N 3.16Å |
| 362 | D | 66.8 | Low | 69.6 | Low | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.9 | -30.8 | -179.9 | -77.6 | -31.1 | 0 | 0 | 0 | 112.1 | L359 R365 K366 I544 | L359-D362 PolarHBondContact O-N 2.68Å; D362-R365 PolarHBondContact O-N 3.26Å; D362-K366 WeakPolarHBondContact O-CG 3.47Å; D362-K366 PolarHBondContact O-N 3.04Å; D362-I544 VanDerWaalsContact OD2-CD1 3.26Å; D362-I544 WeakPolarHBondContact OD2-CD1 3.41Å; D362-I544 WeakPolarHBondContact OD2-CG1 3.33Å |
| 363 | A | 62.5 | Low | 67.4 | Low | 48 Ų | 48 | 82.6 Ų | 82.6 | 40% | 0.397 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.4 | -47.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | L359 L360 P361 R365 K366 R367 | L359-A363 VanDerWaalsContact O-CB 3.3Å; L359-A363 WeakPolarHBondContact O-CB 3.23Å; L359-A363 PolarHBondContact O-N 2.82Å; L360-A363 PolarHBondContact O-N 2.92Å; P361-A363 VanDerWaalsContact C-N 3.34Å; P361-A363 PolarHBondContact O-N 3.16Å; A363-R365 VanDerWaalsContact C-N 3.28Å; A363-R365 PolarHBondContact O-N 3.12Å; A363-K366 PolarHBondContact O-N 3.01Å; A363-R367 PolarHBondContact O-N 2.92Å |
| 364 | K | 62 | Low | 65.3 | Low | 76 Ų | 76 | 83.4 Ų | 83.4 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 173 | -71 | 176.8 | -178.7 | 177.5 | 0 | 111.5 | L360 P361 R367 R368 | L360-K364 WeakPolarHBondContact O-CG 3.33Å; L360-K364 PolarHBondContact O-N 3.18Å; L360-K364 VanDerWaalsContact O-N 3.13Å; P361-K364 PolarHBondContact O-N 2.75Å; K364-R367 PolarHBondContact O-N 2.93Å; K364-R368 PolarHBondContact O-N 2.76Å; K364-R368 VanDerWaalsContact O-N 3.12Å |
| 365 | R | 61.2 | Low | 63.1 | Low | 92 Ų | 92 | 91.9 Ų | 91.9 | 35% | 0.347 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.6 | -31.7 | -178.9 | -172.3 | 167.8 | 171 | -88.3 | -37.5 | 113.2 | P361 D362 A363 S538 T539 | P361-R365 VanDerWaalsContact O-CB 3.29Å; P361-R365 WeakPolarHBondContact O-CB 3.16Å; P361-R365 PolarHBondContact O-N 3.16Å; D362-R365 PolarHBondContact O-N 3.26Å; A363-R365 VanDerWaalsContact C-N 3.28Å; A363-R365 PolarHBondContact O-N 3.12Å; R365-S538 PolarHBondContact NE-OG 3.22Å; R365-S538 PolarHBondContact NH1-O 2.76Å; R365-S538 PolarHBondContact NH2-O 2.92Å; R365-S538 PolarHBondContact NH2-OG 3.09Å; R365-T539 VanDerWaalsContact NH2-CA 3.34Å; R365-T539 VanDerWaalsContact NH2-N 3.16Å |
| 366 | K | 60.7 | Low | 61.1 | Low | 161 Ų | 161 | 101.3 Ų | 101.3 | 70% | 0.7 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.2 | -38.5 | 168.5 | -76.5 | 178.6 | 176.7 | -176.5 | 0 | 112.6 | D362 A363 H369 | D362-K366 WeakPolarHBondContact O-CG 3.47Å; D362-K366 PolarHBondContact O-N 3.04Å; A363-K366 PolarHBondContact O-N 3.01Å; K366-H369 PolarHBondContact O-N 3.04Å |
| 367 | R | 57.3 | Low | 59.1 | Low | 173 Ų | 173 | 103.6 Ų | 103.6 | 65% | 0.653 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.6 | -51.8 | 176.7 | -77 | -176.4 | 175.5 | -172.3 | -2.3 | 111.4 | A363 K364 H369 N370 | A363-R367 PolarHBondContact O-N 2.92Å; K364-R367 PolarHBondContact O-N 2.93Å; R367-H369 PolarHBondContact O-N 2.95Å; R367-N370 PolarHBondContact O-N 2.92Å; R367-N370 VanDerWaalsContact O-N 3.13Å |
| 368 | R | 56.3 | Low | 57.2 | Low | 173 Ų | 173 | 105 Ų | 105 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 20.4 | 177 | -61.7 | -174.9 | -179.3 | -170 | -1.1 | 115.5 | K364 D452 | K364-R368 PolarHBondContact O-N 2.76Å; K364-R368 VanDerWaalsContact O-N 3.12Å; R368-D452 IonicContact CZ-OD2 3.66Å; R368-D452 IonicContact NE-OD2 3.85Å; R368-D452 IonicContact NH2-OD2 3.69Å; R368-D452 PolarHBondContact NH2-OD2 2.99Å |
| 369 | H | 54.5 | Low | 54.9 | Low | 137 Ų | 137 | 112.1 Ų | 112.1 | 63% | 0.634 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.5 | -3.8 | 176.2 | -155.3 | -56.7 | 0 | 0 | 0 | 112.1 | K366 R367 | K366-H369 PolarHBondContact O-N 3.04Å; R367-H369 PolarHBondContact O-N 2.95Å |
| 370 | N | 52.6 | Low | 52.9 | Low | 113 Ų | 113 | 112.9 Ų | 112.9 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | trans | -107.5 | 32.7 | 175.1 | -82.9 | 16 | 0 | 0 | 0 | 111.5 | R367 G372 G374 | R367-N370 PolarHBondContact O-N 2.92Å; R367-N370 VanDerWaalsContact O-N 3.13Å; N370-G372 PolarHBondContact O-N 2.85Å; N370-G374 PolarHBondContact O-N 3.16Å | ||
| 371 | D | 47.2 | Very low | 51.7 | Low | 137 Ų | 137 | 112.5 Ų | 112.5 | 73% | 0.733 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 71.7 | -179.3 | -61.1 | 9.9 | 0 | 0 | 0 | 110.4 | ||
| 372 | G | 50.3 | Low | 50.8 | Low | 76 Ų | 76 | 119.3 Ų | 119.3 | 78% | 0.784 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175 | -34.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N370 | N370-G372 PolarHBondContact O-N 2.85Š|
| 373 | W | 41.6 | Very low | 49.9 | Very low | 247 Ų | 247 | 125.9 Ų | 125.9 | 94% | 0.936 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | 5.9 | -175.5 | -147.5 | 62.9 | 0 | 0 | 0 | 115.2 | R375 | W373-R375 VanDerWaalsContact C-N 3.31Å; W373-R375 PolarHBondContact O-N 3.02Å |
| 374 | G | 45.5 | Very low | 50.2 | Low | 34 Ų | 34 | 127.2 Ų | 127.2 | 35% | 0.351 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -74.9 | -5.5 | -177 | 0 | 0 | 0 | 0 | 0 | 116.8 | N370 Y376 | N370-G374 PolarHBondContact O-N 3.16Å; G374-Y376 VanDerWaalsContact C-N 3.29Å; G374-Y376 PolarHBondContact O-N 3.31Å |
| 375 | R | 44.3 | Very low | 51 | Low | 240 Ų | 240 | 128 Ų | 128 | 91% | 0.906 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -72.1 | -15 | -164.5 | -141.8 | 177.3 | -162.6 | 176.5 | 5.4 | 115.4 | W373 | W373-R375 VanDerWaalsContact C-N 3.31Å; W373-R375 PolarHBondContact O-N 3.02Å |
| 376 | Y | 42.7 | Very low | 51.8 | Low | 211 Ų | 211 | 127.4 Ų | 127.4 | 83% | 0.827 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -114.5 | -4.9 | -178.7 | -67.1 | -70.1 | 0 | 0 | 0 | 114.9 | G374 G378 | G374-Y376 VanDerWaalsContact C-N 3.29Å; G374-Y376 PolarHBondContact O-N 3.31Å; Y376-G378 PolarHBondContact O-N 2.86Å |
| 377 | S | 43.2 | Very low | 52.5 | Low | 75 Ų | 75 | 124.4 Ų | 124.4 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | 22 | 177.5 | 79.1 | 0 | 0 | 0 | 0 | 113.8 | T380 | S377-T380 PolarHBondContact O-OG1 3.29Š|
| 378 | G | 45 | Very low | 53.7 | Low | 42 Ų | 42 | 120.6 Ų | 120.6 | 43% | 0.433 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.4 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y376 | Y376-G378 PolarHBondContact O-N 2.86Š|
| 379 | L | 38.1 | Very low | 55.1 | Low | 150 Ų | 150 | 116 Ų | 116 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -77.2 | -24.9 | -179.6 | -87.8 | 68.5 | 0 | 0 | 0 | 113 | S381 | L379-S381 VanDerWaalsContact C-N 3.26Å; L379-S381 PolarHBondContact O-N 3.09Å |
| 380 | T | 38.5 | Very low | 56.5 | Low | 79 Ų | 79 | 109.8 Ų | 109.8 | 49% | 0.485 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -81.6 | 4 | 177.2 | 50.6 | 0 | 0 | 0 | 0 | 114 | S377 Y382 Q383 | S377-T380 PolarHBondContact O-OG1 3.29Å; T380-Y382 PolarHBondContact O-N 2.86Å; T380-Q383 PolarHBondContact O-N 3.44Å; T380-Q383 VanDerWaalsContact O-N 3.15Å |
| 381 | S | 47.4 | Very low | 58 | Low | 43 Ų | 43 | 107.5 Ų | 107.5 | 30% | 0.301 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -64.9 | -11.3 | -176.6 | -166.9 | 0 | 0 | 0 | 0 | 114.8 | L379 Q383 N384 Q387 | L379-S381 VanDerWaalsContact C-N 3.26Å; L379-S381 PolarHBondContact O-N 3.09Å; S381-Q383 PolarHBondContact O-N 3.4Å; S381-Q383 VanDerWaalsContact O-N 3.17Å; S381-N384 PolarHBondContact O-N 3.47Å; S381-N384 PolarHBondContact O-ND2 2.85Å; S381-Q387 PolarHBondContact O-OE1 3.17Å; S381-Q387 PolarHBondContact OG-OE1 2.98Å; S381-Q387 VanDerWaalsContact OG-OE1 3.13Å |
| 382 | Y | 48.8 | Very low | 60 | Low | 172 Ų | 172 | 106 Ų | 106 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -62.3 | -13.4 | 170.4 | -80.5 | -79.5 | 0 | 0 | 0 | 114.1 | T380 N384 | T380-Y382 PolarHBondContact O-N 2.86Å; Y382-N384 PolarHBondContact O-N 3.46Å; Y382-N384 VanDerWaalsContact O-N 3.1Å |
| 383 | Q | 48.6 | Very low | 61.8 | Low | 164 Ų | 164 | 102.5 Ų | 102.5 | 77% | 0.766 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -67 | -3.8 | 175 | -69.3 | -176.1 | -47.1 | 0 | 0 | 114.8 | T380 S381 P385 | T380-Q383 PolarHBondContact O-N 3.44Å; T380-Q383 VanDerWaalsContact O-N 3.15Å; S381-Q383 PolarHBondContact O-N 3.4Å; S381-Q383 VanDerWaalsContact O-N 3.17Å; Q383-P385 VanDerWaalsContact O-CD 3.26Å; Q383-P385 WeakPolarHBondContact O-CD 3.37Å |
| 384 | N | 67.9 | Low | 64 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 41% | 0.412 | 46% | 0.461 | S | S | . | . | trans | -93.6 | 102.3 | 176.9 | -65.1 | -77.1 | 0 | 0 | 0 | 110.9 | S381 Y382 L386 Q387 | S381-N384 PolarHBondContact O-N 3.47Å; S381-N384 PolarHBondContact O-ND2 2.85Å; Y382-N384 PolarHBondContact O-N 3.46Å; Y382-N384 VanDerWaalsContact O-N 3.1Å; N384-L386 PolarHBondContact O-N 2.94Å; N384-L386 VanDerWaalsContact O-N 3.1Å; N384-Q387 HydrophobicContact CB-CB 4.27Å; N384-Q387 HydrophobicContact CB-CG 3.9Å; N384-Q387 PolarHBondContact O-N 3.24Å | ||
| 385 | P | 80.2 | Confident | 66.1 | Low | 91 Ų | 91 | 93.1 Ų | 93.1 | 59% | 0.591 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60 | -30 | -175.9 | 23 | -34.1 | 0 | 0 | 0 | 113.1 | Q383 Q387 I388 I389 | Q383-P385 VanDerWaalsContact O-CD 3.26Å; Q383-P385 WeakPolarHBondContact O-CD 3.37Å; P385-Q387 VanDerWaalsContact C-N 3.29Å; P385-Q387 PolarHBondContact O-N 2.81Å; P385-I388 PolarHBondContact O-N 3.02Å; P385-I389 WeakPolarHBondContact O-CG1 3.48Å; P385-I389 PolarHBondContact O-N 3.35Å; P385-I389 VanDerWaalsContact O-N 3.08Å |
| 386 | L | 77.9 | Confident | 68.3 | Low | 81 Ų | 81 | 83.5 Ų | 83.5 | 42% | 0.424 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.2 | -33.6 | 175 | -63.6 | 172.5 | 0 | 0 | 0 | 113.1 | F351 N384 D390 | F351-L386 HydrophobicContact CE2-CD1 4.34Å; F351-L386 HydrophobicContact CE2-CD2 4.06Å; F351-L386 HydrophobicContact CZ-CB 4.05Å; F351-L386 HydrophobicContact CZ-CD1 4.05Å; F351-L386 HydrophobicContact CZ-CD2 3.97Å; F351-L386 HydrophobicContact CZ-CG 4.24Å; N384-L386 PolarHBondContact O-N 2.94Å; N384-L386 VanDerWaalsContact O-N 3.1Å; L386-D390 PolarHBondContact O-N 3.32Å |
| 387 | Q | 75.3 | Confident | 70.6 | Confident | 98 Ų | 98 | 73.5 Ų | 73.5 | 46% | 0.458 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.6 | -33.4 | 178.1 | -66.2 | 179.3 | 3 | 0 | 0 | 111.6 | S381 N384 P385 L391 | S381-Q387 PolarHBondContact O-OE1 3.17Å; S381-Q387 PolarHBondContact OG-OE1 2.98Å; S381-Q387 VanDerWaalsContact OG-OE1 3.13Å; N384-Q387 HydrophobicContact CB-CB 4.27Å; N384-Q387 HydrophobicContact CB-CG 3.9Å; N384-Q387 PolarHBondContact O-N 3.24Å; P385-Q387 VanDerWaalsContact C-N 3.29Å; P385-Q387 PolarHBondContact O-N 2.81Å; Q387-L391 WeakPolarHBondContact O-CB 3.42Å; Q387-L391 PolarHBondContact O-N 3.33Å |
| 388 | I | 81.9 | Confident | 72.9 | Confident | 93 Ų | 93 | 73.1 Ų | 73.1 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 173.6 | -56.4 | 177.3 | 0 | 0 | 0 | 110.1 | P385 L391 F392 | P385-I388 PolarHBondContact O-N 3.02Å; I388-L391 PolarHBondContact O-N 3.31Å; I388-F392 WeakPolarHBondContact O-CB 3.47Å; I388-F392 PolarHBondContact O-N 3.47Å |
| 389 | I | 86.3 | Confident | 75.1 | Confident | 75 Ų | 75 | 73.8 Ų | 73.8 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 177.4 | -62.6 | 163.9 | 0 | 0 | 0 | 111 | Y347 P385 L391 F392 V393 | Y347-I389 HydrophobicContact CE1-CG2 3.95Å; Y347-I389 HydrophobicContact CE2-CG2 4.23Å; Y347-I389 WeakPolarHBondContact OH-CG2 3.35Å; P385-I389 WeakPolarHBondContact O-CG1 3.48Å; P385-I389 PolarHBondContact O-N 3.35Å; P385-I389 VanDerWaalsContact O-N 3.08Å; I389-L391 VanDerWaalsContact C-N 3.32Å; I389-L391 PolarHBondContact O-N 2.97Å; I389-F392 PolarHBondContact O-N 3.29Å; I389-V393 HydrophobicContact CG2-CG2 4.35Å; I389-V393 WeakPolarHBondContact O-CB 3.18Å; I389-V393 VanDerWaalsContact O-CG2 3.28Å; I389-V393 WeakPolarHBondContact O-CG2 3.16Å; I389-V393 PolarHBondContact O-N 2.91Å |
| 390 | D | 83.8 | Confident | 77.6 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.043 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.3 | -45 | 175.3 | -105.6 | 2.3 | 0 | 0 | 0 | 111.6 | L386 V393 D394 R465 | L386-D390 PolarHBondContact O-N 3.32Å; D390-V393 PolarHBondContact O-N 2.86Å; D390-D394 WeakPolarHBondContact O-CB 3.45Å; D390-D394 PolarHBondContact O-N 3.03Å; D390-R465 IonicContact OD1-NH1 3.26Å; D390-R465 IonicContact OD2-CZ 2.93Å; D390-R465 IonicContact OD2-NH1 3.39Å; D390-R465 PolarHBondContact OD2-NH1 2.79Å; D390-R465 IonicContact OD2-NH2 3.21Å |
| 391 | L | 83.1 | Confident | 80.1 | Confident | 65 Ų | 65 | 64 Ų | 64 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 177.9 | 178.8 | 61.3 | 0 | 0 | 0 | 112.4 | Q387 I388 I389 V393 D394 I395 | Q387-L391 WeakPolarHBondContact O-CB 3.42Å; Q387-L391 PolarHBondContact O-N 3.33Å; I388-L391 PolarHBondContact O-N 3.31Å; I389-L391 VanDerWaalsContact C-N 3.32Å; I389-L391 PolarHBondContact O-N 2.97Å; L391-V393 VanDerWaalsContact C-N 3.33Å; L391-V393 PolarHBondContact O-N 3.5Å; L391-D394 PolarHBondContact O-N 2.98Å; L391-I395 HydrophobicContact CD1-CD1 4.26Å; L391-I395 HydrophobicContact CG-CD1 4.08Å; L391-I395 VanDerWaalsContact O-CG1 3.3Å; L391-I395 WeakPolarHBondContact O-CG1 3.46Å; L391-I395 PolarHBondContact O-N 3.36Å |
| 392 | F | 89.3 | Confident | 82.2 | Confident | 104 Ų | 104 | 68.7 Ų | 68.7 | 46% | 0.456 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 175.8 | 176.2 | -93.8 | 0 | 0 | 0 | 111.6 | F344 I388 I389 I395 M396 | F344-F392 HydrophobicContact CE1-CE1 4.09Å; F344-F392 AromaticContact CZ-CE1 3.94Å; F344-F392 HydrophobicContact CZ-CE1 3.94Å; I388-F392 WeakPolarHBondContact O-CB 3.47Å; I388-F392 PolarHBondContact O-N 3.47Å; I389-F392 PolarHBondContact O-N 3.29Å; F392-I395 PolarHBondContact O-N 2.99Å; F392-M396 HydrophobicContact CD1-CG 4.19Å; F392-M396 HydrophobicContact CE1-CG 3.76Å; F392-M396 HydrophobicContact CE1-SD 4.44Å; F392-M396 HydrophobicContact CE2-CE 3.9Å; F392-M396 HydrophobicContact CZ-CE 3.95Å; F392-M396 HydrophobicContact CZ-CG 3.96Å; F392-M396 HydrophobicContact CZ-SD 4.09Å; F392-M396 WeakPolarHBondContact O-CG 3.45Å; F392-M396 PolarHBondContact O-N 2.94Å |
| 393 | V | 89.1 | Confident | 84.2 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 176.8 | 166.7 | 0 | 0 | 0 | 0 | 111.4 | F344 Y347 T348 I389 D390 L391 M396 F397 | F344-V393 HydrophobicContact CB-CG1 4.41Å; F344-V393 HydrophobicContact CD1-CG2 4.01Å; Y347-V393 HydrophobicContact CD1-CG1 4.34Å; Y347-V393 HydrophobicContact CD1-CG2 3.93Å; Y347-V393 HydrophobicContact CE1-CG2 4.07Å; T348-V393 HydrophobicContact CG2-CG1 3.59Å; I389-V393 HydrophobicContact CG2-CG2 4.35Å; I389-V393 WeakPolarHBondContact O-CB 3.18Å; I389-V393 VanDerWaalsContact O-CG2 3.28Å; I389-V393 WeakPolarHBondContact O-CG2 3.16Å; I389-V393 PolarHBondContact O-N 2.91Å; D390-V393 PolarHBondContact O-N 2.86Å; L391-V393 VanDerWaalsContact C-N 3.33Å; L391-V393 PolarHBondContact O-N 3.5Å; V393-M396 PolarHBondContact O-N 3.27Å; V393-F397 HydrophobicContact CG1-CD2 4.02Å; V393-F397 HydrophobicContact CG1-CE2 3.49Å; V393-F397 VanDerWaalsContact CG1-CE2 3.49Å; V393-F397 HydrophobicContact CG1-CZ 4.47Å; V393-F397 WeakPolarHBondContact O-CD2 3.41Å; V393-F397 PolarHBondContact O-N 2.98Å |
| 394 | D | 87.8 | Confident | 86.2 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | 174.3 | -75.1 | -4.6 | 0 | 0 | 0 | 111.4 | D390 L391 F397 I398 P441 R465 R468 | D390-D394 WeakPolarHBondContact O-CB 3.45Å; D390-D394 PolarHBondContact O-N 3.03Å; L391-D394 PolarHBondContact O-N 2.98Å; D394-F397 PolarHBondContact O-N 2.83Å; D394-I398 PolarHBondContact O-N 2.94Å; D394-P441 HydrophobicContact CB-CB 4.48Å; D394-R465 IonicContact OD1-CZ 3.76Å; D394-R465 IonicContact OD1-NE 3.93Å; D394-R465 PolarHBondContact OD1-NE 3.26Å; D394-R465 IonicContact OD1-NH2 3.33Å; D394-R465 IonicContact OD2-CZ 2.76Å; D394-R465 IonicContact OD2-NE 3.37Å; D394-R465 PolarHBondContact OD2-NE 2.94Å; D394-R465 IonicContact OD2-NH2 2.63Å; D394-R465 PolarHBondContact OD2-NH2 2.88Å; D394-R468 IonicContact OD1-CZ 3.17Å; D394-R468 IonicContact OD1-NH1 2.72Å; D394-R468 PolarHBondContact OD1-NH1 2.81Å; D394-R468 IonicContact OD1-NH2 3.95Å; D394-R468 PolarHBondContact OD1-NH2 2.7Å |
| 395 | I | 89.7 | Confident | 87.3 | Confident | 81 Ų | 81 | 54 Ų | 54 | 42% | 0.415 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 174.4 | -68.4 | 163.7 | 0 | 0 | 0 | 111.8 | L391 F392 F397 I398 V399 | L391-I395 HydrophobicContact CD1-CD1 4.26Å; L391-I395 HydrophobicContact CG-CD1 4.08Å; L391-I395 VanDerWaalsContact O-CG1 3.3Å; L391-I395 WeakPolarHBondContact O-CG1 3.46Å; L391-I395 PolarHBondContact O-N 3.36Å; F392-I395 PolarHBondContact O-N 2.99Å; I395-F397 PolarHBondContact O-N 3.38Å; I395-I398 WeakPolarHBondContact O-CB 3.48Å; I395-I398 PolarHBondContact O-N 2.87Å; I395-V399 PolarHBondContact O-N 2.89Å |
| 396 | M | 90.9 | Very high | 87.8 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -32.9 | 178.4 | -72.4 | -65.2 | 114.1 | 0 | 0 | 112.5 | W337 F344 F392 V393 V399 D400 | W337-M396 HydrophobicContact CH2-SD 4.11Å; F344-M396 HydrophobicContact CD2-CB 3.98Å; F344-M396 HydrophobicContact CD2-CG 4.33Å; F344-M396 HydrophobicContact CE2-CB 3.79Å; F344-M396 HydrophobicContact CE2-CG 3.67Å; F344-M396 HydrophobicContact CE2-SD 4.27Å; F344-M396 HydrophobicContact CZ-CB 4.45Å; F344-M396 HydrophobicContact CZ-CG 3.91Å; F392-M396 HydrophobicContact CD1-CG 4.19Å; F392-M396 HydrophobicContact CE1-CG 3.76Å; F392-M396 HydrophobicContact CE1-SD 4.44Å; F392-M396 HydrophobicContact CE2-CE 3.9Å; F392-M396 HydrophobicContact CZ-CE 3.95Å; F392-M396 HydrophobicContact CZ-CG 3.96Å; F392-M396 HydrophobicContact CZ-SD 4.09Å; F392-M396 WeakPolarHBondContact O-CG 3.45Å; F392-M396 PolarHBondContact O-N 2.94Å; V393-M396 PolarHBondContact O-N 3.27Å; M396-V399 PolarHBondContact O-N 2.91Å; M396-D400 PolarHBondContact O-N 3.26Å |
| 397 | F | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -76.4 | -26.3 | 174.9 | -69.2 | -54.8 | 0 | 0 | 0 | 114.3 | V341 F344 V345 T348 V393 D394 I395 I401 R468 | V341-F397 HydrophobicContact CG1-CE1 4.2Å; F344-F397 HydrophobicContact CB-CE1 4.14Å; F344-F397 HydrophobicContact CB-CE2 4.09Å; F344-F397 HydrophobicContact CB-CZ 3.54Å; V345-F397 HydrophobicContact CG2-CE1 3.86Å; V345-F397 HydrophobicContact CG2-CZ 3.9Å; T348-F397 HydrophobicContact CG2-CE2 4.06Å; V393-F397 HydrophobicContact CG1-CD2 4.02Å; V393-F397 HydrophobicContact CG1-CE2 3.49Å; V393-F397 VanDerWaalsContact CG1-CE2 3.49Å; V393-F397 HydrophobicContact CG1-CZ 4.47Å; V393-F397 WeakPolarHBondContact O-CD2 3.41Å; V393-F397 PolarHBondContact O-N 2.98Å; D394-F397 PolarHBondContact O-N 2.83Å; I395-F397 PolarHBondContact O-N 3.38Å; F397-I401 PolarHBondContact O-N 2.98Å; F397-R468 VanDerWaalsContact CE2-CD 3.48Å; F397-R468 HydrophobicContact CE2-CG 4.37Å; F397-R468 HydrophobicContact CZ-CG 4.47Å |
| 398 | I | 90.7 | Very high | 89 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 34% | 0.344 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.4 | -41.4 | 169 | -65.6 | 168.3 | 0 | 0 | 0 | 109.6 | D394 I395 D400 I401 F402 A439 | D394-I398 PolarHBondContact O-N 2.94Å; I395-I398 WeakPolarHBondContact O-CB 3.48Å; I395-I398 PolarHBondContact O-N 2.87Å; I398-D400 PolarHBondContact O-N 2.76Å; I398-I401 PolarHBondContact O-N 2.94Å; I398-F402 HydrophobicContact CG2-CD2 4.29Å; I398-F402 HydrophobicContact CG2-CE2 3.8Å; I398-F402 VanDerWaalsContact O-CD2 3.27Å; I398-F402 WeakPolarHBondContact O-CD2 3.27Å; I398-F402 PolarHBondContact O-N 2.89Å; I398-A439 HydrophobicContact CG1-CB 4.22Å |
| 399 | V | 91.9 | Very high | 89.2 | Confident | 56 Ų | 56 | 45 Ų | 45 | 34% | 0.339 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 112 | W337 I395 M396 I401 F402 I403 | W337-V399 HydrophobicContact CH2-CB 4.3Å; W337-V399 HydrophobicContact CH2-CG1 3.76Å; W337-V399 HydrophobicContact CZ2-CB 4.38Å; W337-V399 HydrophobicContact CZ2-CG1 3.97Å; I395-V399 PolarHBondContact O-N 2.89Å; M396-V399 PolarHBondContact O-N 2.91Å; V399-I401 VanDerWaalsContact C-N 3.31Å; V399-I401 PolarHBondContact O-N 3.03Å; V399-F402 PolarHBondContact O-N 2.61Å; V399-I403 HydrophobicContact CG1-CD1 3.85Å; V399-I403 HydrophobicContact CG1-CG1 4.45Å; V399-I403 WeakPolarHBondContact O-CG1 3.48Å; V399-I403 PolarHBondContact O-N 2.8Å |
| 400 | D | 91.2 | Very high | 89 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -37.6 | 176.2 | -170.4 | 58.4 | 0 | 0 | 0 | 112.7 | W337 V341 M396 I398 I403 N404 | W337-D400 HydrophobicContact CZ2-CB 4.26Å; W337-D400 PolarHBondContact NE1-OD1 2.86Å; V341-D400 HydrophobicContact CG2-CB 4.36Å; M396-D400 PolarHBondContact O-N 3.26Å; I398-D400 PolarHBondContact O-N 2.76Å; D400-I403 PolarHBondContact O-N 3.34Å; D400-N404 WeakPolarHBondContact O-CB 3.42Å; D400-N404 PolarHBondContact O-N 3.11Å; D400-N404 PolarHBondContact O-ND2 3.41Å; D400-N404 PolarHBondContact OD2-ND2 3.44Å |
| 401 | I | 90.9 | Very high | 88.9 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 175.6 | -65.1 | 169.3 | 0 | 0 | 0 | 110.8 | F397 I398 V399 I403 N404 F405 Y427 F432 D435 V436 A439 | F397-I401 PolarHBondContact O-N 2.98Å; I398-I401 PolarHBondContact O-N 2.94Å; V399-I401 VanDerWaalsContact C-N 3.31Å; V399-I401 PolarHBondContact O-N 3.03Å; I401-I403 VanDerWaalsContact C-N 3.33Å; I401-I403 PolarHBondContact O-N 3.1Å; I401-N404 PolarHBondContact O-N 3.05Å; I401-F405 HydrophobicContact CG2-CD2 4Å; I401-F405 HydrophobicContact CG2-CE2 3.81Å; I401-F405 VanDerWaalsContact O-CD2 3.31Å; I401-F405 WeakPolarHBondContact O-CD2 3.27Å; I401-F405 PolarHBondContact O-N 2.98Å; I401-F405 VanDerWaalsContact O-N 3.09Å; I401-Y427 HydrophobicContact CG2-CE1 4.3Å; I401-F432 HydrophobicContact CG2-CD2 4.39Å; I401-F432 HydrophobicContact CG2-CE2 4.26Å; I401-D435 HydrophobicContact CD1-CB 4.45Å; I401-D435 HydrophobicContact CG1-CB 4.15Å; I401-V436 HydrophobicContact CD1-CG2 4.36Å; I401-A439 HydrophobicContact CD1-CB 3.76Å |
| 402 | F | 92 | Very high | 88.7 | Confident | 143 Ų | 143 | 53.8 Ų | 53.8 | 63% | 0.627 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.6 | -37 | 177.4 | -70.8 | -66.8 | 0 | 0 | 0 | 112.8 | I398 V399 | I398-F402 HydrophobicContact CG2-CD2 4.29Å; I398-F402 HydrophobicContact CG2-CE2 3.8Å; I398-F402 VanDerWaalsContact O-CD2 3.27Å; I398-F402 WeakPolarHBondContact O-CD2 3.27Å; I398-F402 PolarHBondContact O-N 2.89Å; V399-F402 PolarHBondContact O-N 2.61Å |
| 403 | I | 91 | Very high | 88.1 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 21% | 0.205 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 174.4 | -71.1 | 168.1 | 0 | 0 | 0 | 110.6 | L327 K334 W337 V399 D400 I401 F405 R406 T407 | L327-I403 HydrophobicContact CD2-CG2 4.09Å; K334-I403 HydrophobicContact CD-CG2 4.29Å; W337-I403 HydrophobicContact CD2-CD1 3.79Å; W337-I403 VanDerWaalsContact CE2-CD1 3.41Å; W337-I403 HydrophobicContact CE3-CD1 4.26Å; W337-I403 HydrophobicContact CG-CD1 4.32Å; W337-I403 HydrophobicContact CH2-CD1 4.12Å; W337-I403 HydrophobicContact CZ2-CD1 3.62Å; W337-I403 HydrophobicContact CZ3-CD1 4.41Å; V399-I403 HydrophobicContact CG1-CD1 3.85Å; V399-I403 HydrophobicContact CG1-CG1 4.45Å; V399-I403 WeakPolarHBondContact O-CG1 3.48Å; V399-I403 PolarHBondContact O-N 2.8Å; D400-I403 PolarHBondContact O-N 3.34Å; I401-I403 VanDerWaalsContact C-N 3.33Å; I401-I403 PolarHBondContact O-N 3.1Å; I403-F405 VanDerWaalsContact C-N 3.31Å; I403-F405 PolarHBondContact O-N 3.14Å; I403-R406 CarbonylContact O-C 3.55Å; I403-R406 WeakPolarHBondContact O-CA 3.46Å; I403-R406 PolarHBondContact O-N 3.25Å; I403-T407 HydrophobicContact CG2-CG2 3.9Å; I403-T407 VanDerWaalsContact O-CG2 3.29Å; I403-T407 WeakPolarHBondContact O-CG2 3.41Å; I403-T407 PolarHBondContact O-N 3.24Å |
| 404 | N | 89.3 | Confident | 87.1 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -34.3 | -179.9 | -70 | -41.4 | 0 | 0 | 0 | 112.4 | D400 I401 R406 T407 Y427 | D400-N404 WeakPolarHBondContact O-CB 3.42Å; D400-N404 PolarHBondContact O-N 3.11Å; D400-N404 PolarHBondContact O-ND2 3.41Å; D400-N404 PolarHBondContact OD2-ND2 3.44Å; I401-N404 PolarHBondContact O-N 3.05Å; N404-R406 PolarHBondContact O-N 2.72Å; N404-T407 WeakPolarHBondContact CA-OG1 3.46Å; N404-T407 PolarHBondContact O-N 2.61Å; N404-T407 PolarHBondContact O-OG1 3.17Å; N404-Y427 HydrophobicContact CB-CE1 4.05Å; N404-Y427 HydrophobicContact CB-CE2 4.21Å |
| 405 | F | 90.9 | Very high | 86.3 | Confident | 41 Ų | 41 | 61 Ų | 61 | 18% | 0.18 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.2 | 169.8 | -87.2 | -66.6 | 0 | 0 | 0 | 114.7 | I401 I403 I423 A424 Y427 F428 F432 | I401-F405 HydrophobicContact CG2-CD2 4Å; I401-F405 HydrophobicContact CG2-CE2 3.81Å; I401-F405 VanDerWaalsContact O-CD2 3.31Å; I401-F405 WeakPolarHBondContact O-CD2 3.27Å; I401-F405 PolarHBondContact O-N 2.98Å; I401-F405 VanDerWaalsContact O-N 3.09Å; I403-F405 VanDerWaalsContact C-N 3.31Å; I403-F405 PolarHBondContact O-N 3.14Å; F405-I423 WeakPolarHBondContact O-CG2 3.37Å; F405-A424 HydrophobicContact CD1-CB 3.92Å; F405-A424 HydrophobicContact CE1-CB 4.02Å; F405-Y427 AromaticContact CD1-CD1 3.84Å; F405-Y427 HydrophobicContact CD1-CD1 3.84Å; F405-Y427 HydrophobicContact CD2-CD1 4.05Å; F405-Y427 AromaticContact CD2-CE1 3.96Å; F405-Y427 HydrophobicContact CD2-CE1 3.96Å; F405-Y427 AromaticContact CE1-CD1 3.73Å; F405-Y427 HydrophobicContact CE1-CD1 3.73Å; F405-Y427 HydrophobicContact CE1-CE1 4.47Å; F405-Y427 AromaticContact CE2-CD1 3.95Å; F405-Y427 HydrophobicContact CE2-CD1 3.95Å; F405-Y427 AromaticContact CE2-CE1 3.86Å; F405-Y427 HydrophobicContact CE2-CE1 3.86Å; F405-Y427 AromaticContact CG-CD1 3.99Å; F405-Y427 HydrophobicContact CG-CD1 3.99Å; F405-Y427 HydrophobicContact CG-CE1 4.31Å; F405-Y427 AromaticContact CZ-CD1 3.78Å; F405-Y427 HydrophobicContact CZ-CD1 3.78Å; F405-Y427 HydrophobicContact CZ-CE1 4.12Å; F405-F428 HydrophobicContact CE1-CD2 4.03Å; F405-F428 HydrophobicContact CE1-CE1 4.48Å; F405-F428 AromaticContact CE1-CE2 3.62Å; F405-F428 HydrophobicContact CE1-CE2 3.62Å; F405-F428 AromaticContact CE1-CZ 3.87Å; F405-F428 HydrophobicContact CE1-CZ 3.87Å; F405-F428 HydrophobicContact CZ-CD2 4.49Å; F405-F428 HydrophobicContact CZ-CE1 4.02Å; F405-F428 AromaticContact CZ-CE2 3.94Å; F405-F428 HydrophobicContact CZ-CE2 3.94Å; F405-F428 AromaticContact CZ-CZ 3.67Å; F405-F428 HydrophobicContact CZ-CZ 3.67Å; F405-F432 AromaticContact CE2-CD2 3.66Å; F405-F432 HydrophobicContact CE2-CD2 3.66Å; F405-F432 AromaticContact CE2-CE2 3.58Å; F405-F432 HydrophobicContact CE2-CE2 3.58Å; F405-F432 AromaticContact CZ-CD2 3.5Å; F405-F432 HydrophobicContact CZ-CD2 3.5Å; F405-F432 AromaticContact CZ-CE2 3.59Å; F405-F432 HydrophobicContact CZ-CE2 3.59Å; F405-F432 HydrophobicContact CZ-CG 4.35Å; F405-F432 HydrophobicContact CZ-CZ 4.48Å |
| 406 | R | 90.3 | Very high | 85.7 | Confident | 109 Ų | 109 | 58.5 Ų | 58.5 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -1.5 | -179.7 | -66.1 | -57.6 | -171.2 | 142.3 | -8.2 | 113.8 | F325 T326 L327 I403 N404 | F325-R406 WeakPolarHBondContact O-CD 3.44Å; F325-R406 PolarHBondContact O-NH1 3.04Å; T326-R406 CarbonylContact C-O 3.59Å; T326-R406 WeakPolarHBondContact CA-O 3.28Å; T326-R406 VanDerWaalsContact CB-O 3.31Å; T326-R406 WeakPolarHBondContact CB-O 3.32Å; L327-R406 PolarHBondContact N-O 3.41Å; I403-R406 CarbonylContact O-C 3.55Å; I403-R406 WeakPolarHBondContact O-CA 3.46Å; I403-R406 PolarHBondContact O-N 3.25Å; N404-R406 PolarHBondContact O-N 2.72Å |
| 407 | T | 89.3 | Confident | 85.3 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -84.5 | 134.9 | 175.9 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | L327 K334 I403 N404 I423 | L327-T407 HydrophobicContact CB-CG2 4.02Å; L327-T407 HydrophobicContact CD2-CG2 4.04Å; L327-T407 HydrophobicContact CG-CG2 4.3Å; L327-T407 VanDerWaalsContact O-CA 3.32Å; L327-T407 WeakPolarHBondContact O-CA 3.47Å; K334-T407 HydrophobicContact CD-CG2 3.87Å; K334-T407 VanDerWaalsContact CE-CG2 3.44Å; K334-T407 HydrophobicContact CG-CG2 4.33Å; I403-T407 HydrophobicContact CG2-CG2 3.9Å; I403-T407 VanDerWaalsContact O-CG2 3.29Å; I403-T407 WeakPolarHBondContact O-CG2 3.41Å; I403-T407 PolarHBondContact O-N 3.24Å; N404-T407 WeakPolarHBondContact CA-OG1 3.46Å; N404-T407 PolarHBondContact O-N 2.61Å; N404-T407 PolarHBondContact O-OG1 3.17Å; T407-I423 VanDerWaalsContact O-CG2 3.29Å; T407-I423 WeakPolarHBondContact O-CG2 3.3Å |
| 408 | T | 89.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | trans | -65.7 | 152.7 | 174.2 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | I322 L327 H329 I417 | I322-T408 HydrophobicContact CG2-CG2 3.75Å; L327-T408 PolarHBondContact O-N 3.4Å; H329-T408 WeakPolarHBondContact CB-O 3.5Å; H329-T408 PolarHBondContact N-OG1 2.97Å; H329-T408 PolarHBondContact ND1-O 2.78Å; H329-T408 PolarHBondContact ND1-OG1 3.24Å; H329-T408 VanDerWaalsContact ND1-OG1 3.08Å; T408-I417 WeakPolarHBondContact CA-O 3.49Å; T408-I417 VanDerWaalsContact CB-O 3.31Å; T408-I417 WeakPolarHBondContact CB-O 3.45Å | ||
| 409 | Y | 86 | Confident | 84.5 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 17% | 0.173 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 165.1 | 171.9 | 75.4 | -85.3 | 0 | 0 | 0 | 111.4 | I417 I423 H426 | Y409-I417 HydrophobicContact CD1-CB 4.29Å; Y409-I417 HydrophobicContact CD1-CG2 4.31Å; Y409-I417 HydrophobicContact CE1-CB 3.91Å; Y409-I417 HydrophobicContact CE1-CD1 4.32Å; Y409-I417 HydrophobicContact CE1-CG2 3.66Å; Y409-I417 HydrophobicContact CE2-CD1 3.94Å; Y409-I417 PolarHBondContact N-O 3.14Å; Y409-I417 PolarHBondContact O-N 3.42Å; Y409-I417 VanDerWaalsContact OH-CD1 3.28Å; Y409-I417 WeakPolarHBondContact OH-CD1 3.46Å; Y409-I423 HydrophobicContact CD1-CG1 4.06Å; Y409-I423 HydrophobicContact CE1-CG1 4.22Å; Y409-H426 HydrophobicContact CD1-CB 4.38Å; Y409-H426 AromaticContact CD2-NE2 3.97Å; Y409-H426 HydrophobicContact CE1-CB 3.67Å; Y409-H426 AromaticContact CE1-CG 3.87Å; Y409-H426 HydrophobicContact CE2-CB 4.35Å; Y409-H426 AromaticContact CE2-CE1 3.79Å; Y409-H426 AromaticContact CE2-CG 3.75Å; Y409-H426 AromaticContact CE2-ND1 3.58Å; Y409-H426 AromaticContact CZ-CG 3.56Å; Y409-H426 AromaticContact CZ-ND1 3.71Å |
| 410 | V | 83.6 | Confident | 84.2 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 26% | 0.255 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.6 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | H329 D414 E415 | H329-V410 WeakPolarHBondContact CE1-CG2 3.31Å; V410-D414 HydrophobicContact CG1-CB 4.44Å; V410-E415 WeakPolarHBondContact CA-O 3.16Å |
| 411 | N | 80.7 | Confident | 84.1 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | trans | -75.3 | 169.1 | 178.1 | -165.7 | 15.3 | 0 | 0 | 0 | 111.3 | N413 D414 E415 I417 | N411-N413 PolarHBondContact O-N 2.91Å; N411-N413 VanDerWaalsContact O-N 3.14Å; N411-D414 WeakPolarHBondContact O-CA 3.49Å; N411-D414 PolarHBondContact O-N 3.33Å; N411-E415 HydrophobicContact CB-CB 4.36Å; N411-E415 PolarHBondContact N-O 3.07Å; N411-I417 HydrophobicContact CB-CD1 3.89Å; N411-I417 HydrophobicContact CB-CG1 4.5Å | ||
| 412 | R | 79.6 | Confident | 83.9 | Confident | 243 Ų | 243 | 65.3 Ų | 65.3 | 92% | 0.917 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.6 | 173.4 | -71.8 | -175.9 | 175 | -179.1 | -2.6 | 114 | D414 | R412-D414 PolarHBondContact O-N 2.91Š|
| 413 | N | 76 | Confident | 83.8 | Confident | 115 Ų | 115 | 58.7 Ų | 58.7 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 9.4 | 173.8 | -56.7 | -3.6 | 0 | 0 | 0 | 112.5 | N411 E415 | N411-N413 PolarHBondContact O-N 2.91Å; N411-N413 VanDerWaalsContact O-N 3.14Å; N413-E415 HydrophobicContact CB-CG 3.89Å; N413-E415 VanDerWaalsContact CB-OE2 3.31Å; N413-E415 WeakPolarHBondContact CB-OE2 3.4Å; N413-E415 PolarHBondContact ND2-OE2 3.5Å; N413-E415 PolarHBondContact O-N 2.86Å; N413-E415 VanDerWaalsContact O-N 3.07Å |
| 414 | D | 67.7 | Low | 83.8 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 56 | 11.8 | -166.9 | -82.7 | -47 | 0 | 0 | 0 | 114.7 | K4 G6 H7 V410 N411 R412 | K4-D414 IonicContact NZ-OD1 2.79Å; K4-D414 PolarHBondContact NZ-OD1 3.14Å; K4-D414 IonicContact NZ-OD2 3.42Å; K4-D414 PolarHBondContact NZ-OD2 3.04Å; G6-D414 CarbonylContact C-O 3.52Å; G6-D414 WeakPolarHBondContact CA-O 3.32Å; H7-D414 PolarHBondContact N-O 3.26Å; V410-D414 HydrophobicContact CG1-CB 4.44Å; N411-D414 WeakPolarHBondContact O-CA 3.49Å; N411-D414 PolarHBondContact O-N 3.33Å; R412-D414 PolarHBondContact O-N 2.91Å |
| 415 | E | 71.8 | Confident | 83.9 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | trans | -73.7 | 142.6 | 175.4 | -63.6 | 167.9 | 128.7 | 0 | 0 | 113.1 | V410 N411 N413 | V410-E415 WeakPolarHBondContact CA-O 3.16Å; N411-E415 HydrophobicContact CB-CB 4.36Å; N411-E415 PolarHBondContact N-O 3.07Å; N413-E415 HydrophobicContact CB-CG 3.89Å; N413-E415 VanDerWaalsContact CB-OE2 3.31Å; N413-E415 WeakPolarHBondContact CB-OE2 3.4Å; N413-E415 PolarHBondContact ND2-OE2 3.5Å; N413-E415 PolarHBondContact O-N 2.86Å; N413-E415 VanDerWaalsContact O-N 3.07Å | ||
| 416 | L | 78.1 | Confident | 83.8 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 112.2 | 176 | -178.8 | 70.7 | 0 | 0 | 0 | 112.1 | V8 P320 H329 | V8-L416 HydrophobicContact CG2-CD2 4.43Å; P320-L416 HydrophobicContact CG-CD2 3.98Å; H329-L416 VanDerWaalsContact CE1-CD1 3.5Å; H329-L416 WeakPolarHBondContact CE1-CD1 3.39Å |
| 417 | I | 81.3 | Confident | 83.9 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 11% | 0.108 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.5 | 177.9 | -69.4 | 174.2 | 0 | 0 | 0 | 111.1 | T408 Y409 N411 Q422 I423 | T408-I417 WeakPolarHBondContact CA-O 3.49Å; T408-I417 VanDerWaalsContact CB-O 3.31Å; T408-I417 WeakPolarHBondContact CB-O 3.45Å; Y409-I417 HydrophobicContact CD1-CB 4.29Å; Y409-I417 HydrophobicContact CD1-CG2 4.31Å; Y409-I417 HydrophobicContact CE1-CB 3.91Å; Y409-I417 HydrophobicContact CE1-CD1 4.32Å; Y409-I417 HydrophobicContact CE1-CG2 3.66Å; Y409-I417 HydrophobicContact CE2-CD1 3.94Å; Y409-I417 PolarHBondContact N-O 3.14Å; Y409-I417 PolarHBondContact O-N 3.42Å; Y409-I417 VanDerWaalsContact OH-CD1 3.28Å; Y409-I417 WeakPolarHBondContact OH-CD1 3.46Å; N411-I417 HydrophobicContact CB-CD1 3.89Å; N411-I417 HydrophobicContact CB-CG1 4.5Å; I417-Q422 HydrophobicContact CG2-CB 3.78Å; I417-I423 HydrophobicContact CG2-CG1 4.36Å |
| 418 | S | 80.7 | Confident | 83.9 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | trans | -112.8 | -17.6 | -175.7 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 419 | H | 82.7 | Confident | 83.9 | Confident | 110 Ų | 110 | 74.3 Ų | 74.3 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | trans | -74.3 | 124.2 | -174.9 | -67.4 | -72.3 | 0 | 0 | 0 | 111.5 | G421 Q422 I423 | H419-G421 VanDerWaalsContact C-N 3.3Å; H419-G421 PolarHBondContact O-N 3.05Å; H419-Q422 HydrophobicContact CB-CB 4.42Å; H419-Q422 HydrophobicContact CB-CG 4.25Å; H419-Q422 PolarHBondContact O-N 3.41Å; H419-I423 WeakPolarHBondContact O-CG1 3Å; H419-I423 PolarHBondContact O-N 3.05Å | ||
| 420 | P | 86.9 | Confident | 83.9 | Confident | 33 Ų | 33 | 74.2 Ų | 74.2 | 21% | 0.214 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.4 | -32.6 | -172.2 | 22.6 | -33.1 | 0 | 0 | 0 | 113.6 | I423 A424 | P420-I423 PolarHBondContact O-N 3.26Å; P420-A424 WeakPolarHBondContact O-CB 3.24Å; P420-A424 PolarHBondContact O-N 3.09Å |
| 421 | G | 88.1 | Confident | 83.9 | Confident | 45 Ų | 45 | 77.5 Ų | 77.5 | 46% | 0.464 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H419 I425 | H419-G421 VanDerWaalsContact C-N 3.3Å; H419-G421 PolarHBondContact O-N 3.05Å; G421-I425 WeakPolarHBondContact O-CD1 3.31Å; G421-I425 VanDerWaalsContact O-CG1 3.26Å; G421-I425 WeakPolarHBondContact O-CG1 3.4Å; G421-I425 PolarHBondContact O-N 3.05Å |
| 422 | Q | 87.4 | Confident | 84.3 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -72.2 | -40.9 | 177.3 | -65.1 | 178.6 | -2.2 | 0 | 0 | 111.2 | I417 H419 A424 I425 H426 | I417-Q422 HydrophobicContact CG2-CB 3.78Å; H419-Q422 HydrophobicContact CB-CB 4.42Å; H419-Q422 HydrophobicContact CB-CG 4.25Å; H419-Q422 PolarHBondContact O-N 3.41Å; Q422-A424 PolarHBondContact O-N 3.07Å; Q422-I425 PolarHBondContact O-N 3.2Å; Q422-H426 WeakPolarHBondContact O-CB 3.28Å; Q422-H426 PolarHBondContact O-N 3.32Å |
| 423 | I | 89.6 | Confident | 84.7 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.8 | -48.4 | 172.1 | -64.4 | 165.7 | 0 | 0 | 0 | 110.4 | F405 T407 Y409 I417 H419 P420 H426 Y427 | F405-I423 WeakPolarHBondContact O-CG2 3.37Å; T407-I423 VanDerWaalsContact O-CG2 3.29Å; T407-I423 WeakPolarHBondContact O-CG2 3.3Å; Y409-I423 HydrophobicContact CD1-CG1 4.06Å; Y409-I423 HydrophobicContact CE1-CG1 4.22Å; I417-I423 HydrophobicContact CG2-CG1 4.36Å; H419-I423 WeakPolarHBondContact O-CG1 3Å; H419-I423 PolarHBondContact O-N 3.05Å; P420-I423 PolarHBondContact O-N 3.26Å; I423-H426 PolarHBondContact O-N 3.5Å; I423-Y427 WeakPolarHBondContact O-CB 3.22Å; I423-Y427 PolarHBondContact O-N 2.89Å |
| 424 | A | 91.5 | Very high | 85.2 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.3 | -50.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F405 P420 Q422 H426 Y427 F428 | F405-A424 HydrophobicContact CD1-CB 3.92Å; F405-A424 HydrophobicContact CE1-CB 4.02Å; P420-A424 WeakPolarHBondContact O-CB 3.24Å; P420-A424 PolarHBondContact O-N 3.09Å; Q422-A424 PolarHBondContact O-N 3.07Å; A424-H426 VanDerWaalsContact C-N 3.29Å; A424-H426 PolarHBondContact O-N 3.19Å; A424-Y427 PolarHBondContact O-N 3.09Å; A424-F428 HydrophobicContact CB-CD2 4.32Å; A424-F428 HydrophobicContact CB-CE2 4.33Å; A424-F428 WeakPolarHBondContact O-CB 3.11Å; A424-F428 WeakPolarHBondContact O-CD2 3.17Å; A424-F428 PolarHBondContact O-N 3.11Å |
| 425 | I | 91.1 | Very high | 86.1 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 62% | 0.615 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.7 | -41.3 | 178.5 | -69.7 | 164.6 | 0 | 0 | 0 | 111.3 | G421 Q422 K429 | G421-I425 WeakPolarHBondContact O-CD1 3.31Å; G421-I425 VanDerWaalsContact O-CG1 3.26Å; G421-I425 WeakPolarHBondContact O-CG1 3.4Å; G421-I425 PolarHBondContact O-N 3.05Å; Q422-I425 PolarHBondContact O-N 3.2Å; I425-K429 WeakPolarHBondContact O-CB 3.21Å; I425-K429 PolarHBondContact O-N 2.94Å; I425-K429 VanDerWaalsContact O-N 3.09Å |
| 426 | H | 89.3 | Confident | 86.9 | Confident | 97 Ų | 97 | 65 Ų | 65 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.2 | -174.3 | 84.4 | 0 | 0 | 0 | 112 | Y409 Q422 I423 A424 K429 G430 | Y409-H426 HydrophobicContact CD1-CB 4.38Å; Y409-H426 AromaticContact CD2-NE2 3.97Å; Y409-H426 HydrophobicContact CE1-CB 3.67Å; Y409-H426 AromaticContact CE1-CG 3.87Å; Y409-H426 HydrophobicContact CE2-CB 4.35Å; Y409-H426 AromaticContact CE2-CE1 3.79Å; Y409-H426 AromaticContact CE2-CG 3.75Å; Y409-H426 AromaticContact CE2-ND1 3.58Å; Y409-H426 AromaticContact CZ-CG 3.56Å; Y409-H426 AromaticContact CZ-ND1 3.71Å; Q422-H426 WeakPolarHBondContact O-CB 3.28Å; Q422-H426 PolarHBondContact O-N 3.32Å; I423-H426 PolarHBondContact O-N 3.5Å; A424-H426 VanDerWaalsContact C-N 3.29Å; A424-H426 PolarHBondContact O-N 3.19Å; H426-K429 PolarHBondContact O-N 3.23Å; H426-G430 PolarHBondContact O-N 3.41Å |
| 427 | Y | 90.7 | Very high | 87.3 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.1 | -42 | -179.9 | -173.9 | -136 | 0 | 0 | 0 | 112.7 | I401 N404 F405 I423 A424 K429 G430 W431 F432 D435 | I401-Y427 HydrophobicContact CG2-CE1 4.3Å; N404-Y427 HydrophobicContact CB-CE1 4.05Å; N404-Y427 HydrophobicContact CB-CE2 4.21Å; F405-Y427 AromaticContact CD1-CD1 3.84Å; F405-Y427 HydrophobicContact CD1-CD1 3.84Å; F405-Y427 HydrophobicContact CD2-CD1 4.05Å; F405-Y427 AromaticContact CD2-CE1 3.96Å; F405-Y427 HydrophobicContact CD2-CE1 3.96Å; F405-Y427 AromaticContact CE1-CD1 3.73Å; F405-Y427 HydrophobicContact CE1-CD1 3.73Å; F405-Y427 HydrophobicContact CE1-CE1 4.47Å; F405-Y427 AromaticContact CE2-CD1 3.95Å; F405-Y427 HydrophobicContact CE2-CD1 3.95Å; F405-Y427 AromaticContact CE2-CE1 3.86Å; F405-Y427 HydrophobicContact CE2-CE1 3.86Å; F405-Y427 AromaticContact CG-CD1 3.99Å; F405-Y427 HydrophobicContact CG-CD1 3.99Å; F405-Y427 HydrophobicContact CG-CE1 4.31Å; F405-Y427 AromaticContact CZ-CD1 3.78Å; F405-Y427 HydrophobicContact CZ-CD1 3.78Å; F405-Y427 HydrophobicContact CZ-CE1 4.12Å; I423-Y427 WeakPolarHBondContact O-CB 3.22Å; I423-Y427 PolarHBondContact O-N 2.89Å; A424-Y427 PolarHBondContact O-N 3.09Å; Y427-K429 VanDerWaalsContact C-N 3.35Å; Y427-K429 PolarHBondContact O-N 3.08Å; Y427-G430 PolarHBondContact O-N 2.89Å; Y427-W431 HydrophobicContact CD2-CB 4.05Å; Y427-W431 HydrophobicContact CE2-CB 3.82Å; Y427-W431 PolarHBondContact O-N 3.26Å; Y427-W431 VanDerWaalsContact O-N 3.11Å; Y427-F432 HydrophobicContact CD1-CB 4.14Å; Y427-F432 HydrophobicContact CD1-CD2 4.26Å; Y427-F432 HydrophobicContact CD2-CB 4.49Å; Y427-F432 HydrophobicContact CE1-CB 4.17Å; Y427-F432 AromaticContact CE1-CD2 3.91Å; Y427-F432 HydrophobicContact CE1-CD2 3.91Å; Y427-F432 HydrophobicContact CE2-CB 4.49Å; Y427-F432 HydrophobicContact CG-CB 4.3Å; Y427-F432 WeakPolarHBondContact O-CB 3.39Å; Y427-F432 PolarHBondContact O-N 3.05Å; Y427-F432 VanDerWaalsContact O-N 3.08Å; Y427-D435 VanDerWaalsContact CE2-OD2 3.32Å; Y427-D435 WeakPolarHBondContact CE2-OD2 3.47Å; Y427-D435 WeakPolarHBondContact OH-CB 3.41Å; Y427-D435 PolarHBondContact OH-OD2 3.36Å |
| 428 | F | 91.2 | Very high | 87.5 | Confident | 114 Ų | 114 | 65.2 Ų | 65.2 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 173.3 | -84 | -61.9 | 0 | 0 | 0 | 112.6 | F405 A424 G430 F432 | F405-F428 HydrophobicContact CE1-CD2 4.03Å; F405-F428 HydrophobicContact CE1-CE1 4.48Å; F405-F428 AromaticContact CE1-CE2 3.62Å; F405-F428 HydrophobicContact CE1-CE2 3.62Å; F405-F428 AromaticContact CE1-CZ 3.87Å; F405-F428 HydrophobicContact CE1-CZ 3.87Å; F405-F428 HydrophobicContact CZ-CD2 4.49Å; F405-F428 HydrophobicContact CZ-CE1 4.02Å; F405-F428 AromaticContact CZ-CE2 3.94Å; F405-F428 HydrophobicContact CZ-CE2 3.94Å; F405-F428 AromaticContact CZ-CZ 3.67Å; F405-F428 HydrophobicContact CZ-CZ 3.67Å; A424-F428 HydrophobicContact CB-CD2 4.32Å; A424-F428 HydrophobicContact CB-CE2 4.33Å; A424-F428 WeakPolarHBondContact O-CB 3.11Å; A424-F428 WeakPolarHBondContact O-CD2 3.17Å; A424-F428 PolarHBondContact O-N 3.11Å; F428-G430 PolarHBondContact O-N 3.5Å; F428-F432 HydrophobicContact CD1-CB 4.32Å; F428-F432 AromaticContact CD1-CD1 3.45Å; F428-F432 HydrophobicContact CD1-CD1 3.45Å; F428-F432 VanDerWaalsContact CD1-CD1 3.45Å; F428-F432 HydrophobicContact CD1-CD2 4.44Å; F428-F432 AromaticContact CD1-CE1 3.76Å; F428-F432 HydrophobicContact CD1-CE1 3.76Å; F428-F432 AromaticContact CD1-CG 3.81Å; F428-F432 HydrophobicContact CD1-CG 3.81Å; F428-F432 HydrophobicContact CD1-CZ 4.36Å; F428-F432 AromaticContact CE1-CD1 3.64Å; F428-F432 HydrophobicContact CE1-CD1 3.64Å; F428-F432 HydrophobicContact CE1-CD2 4.28Å; F428-F432 AromaticContact CE1-CE1 3.45Å; F428-F432 HydrophobicContact CE1-CE1 3.45Å; F428-F432 VanDerWaalsContact CE1-CE1 3.45Å; F428-F432 HydrophobicContact CE1-CE2 4.12Å; F428-F432 HydrophobicContact CE1-CG 4.04Å; F428-F432 AromaticContact CE1-CZ 3.69Å; F428-F432 HydrophobicContact CE1-CZ 3.69Å |
| 429 | K | 89.1 | Confident | 87.7 | Confident | 192 Ų | 192 | 64.4 Ų | 64.4 | 84% | 0.835 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.8 | -17.3 | -179.2 | -174.9 | 167.2 | -179.4 | 173.3 | 0 | 113.9 | I425 H426 Y427 | I425-K429 WeakPolarHBondContact O-CB 3.21Å; I425-K429 PolarHBondContact O-N 2.94Å; I425-K429 VanDerWaalsContact O-N 3.09Å; H426-K429 PolarHBondContact O-N 3.23Å; Y427-K429 VanDerWaalsContact C-N 3.35Å; Y427-K429 PolarHBondContact O-N 3.08Å |
| 430 | G | 84.2 | Confident | 87.7 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | -87.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H426 Y427 F428 | H426-G430 PolarHBondContact O-N 3.41Å; Y427-G430 PolarHBondContact O-N 2.89Å; F428-G430 PolarHBondContact O-N 3.5Å |
| 431 | W | 85.3 | Confident | 87.4 | Confident | 112 Ų | 112 | 62.3 Ų | 62.3 | 42% | 0.424 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -19.7 | -159 | -65.4 | 115.1 | 0 | 0 | 0 | 115.4 | Y427 L433 I434 D435 V470 R474 | Y427-W431 HydrophobicContact CD2-CB 4.05Å; Y427-W431 HydrophobicContact CE2-CB 3.82Å; Y427-W431 PolarHBondContact O-N 3.26Å; Y427-W431 VanDerWaalsContact O-N 3.11Å; W431-L433 VanDerWaalsContact C-N 3.34Å; W431-L433 PolarHBondContact O-N 3.12Å; W431-I434 HydrophobicContact CE3-CD1 4.05Å; W431-I434 HydrophobicContact CZ3-CD1 4.17Å; W431-I434 PolarHBondContact O-N 3.17Å; W431-D435 PolarHBondContact O-N 2.92Å; W431-D435 VanDerWaalsContact O-N 3.09Å; W431-V470 HydrophobicContact CE3-CG1 4.19Å; W431-V470 HydrophobicContact CH2-CG1 4.34Å; W431-V470 HydrophobicContact CZ3-CG1 3.55Å; W431-R474 HydrophobicContact CD2-CG 4.24Å; W431-R474 HydrophobicContact CE3-CG 4.42Å; W431-R474 HydrophobicContact CH2-CG 3.91Å; W431-R474 HydrophobicContact CZ2-CG 3.71Å; W431-R474 HydrophobicContact CZ3-CG 4.27Å |
| 432 | F | 88.8 | Confident | 86.7 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 23% | 0.232 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -52.6 | -46.3 | -174.2 | 171.6 | -102 | 0 | 0 | 0 | 113.4 | I401 F405 Y427 F428 I434 D435 V436 | I401-F432 HydrophobicContact CG2-CD2 4.39Å; I401-F432 HydrophobicContact CG2-CE2 4.26Å; F405-F432 AromaticContact CE2-CD2 3.66Å; F405-F432 HydrophobicContact CE2-CD2 3.66Å; F405-F432 AromaticContact CE2-CE2 3.58Å; F405-F432 HydrophobicContact CE2-CE2 3.58Å; F405-F432 AromaticContact CZ-CD2 3.5Å; F405-F432 HydrophobicContact CZ-CD2 3.5Å; F405-F432 AromaticContact CZ-CE2 3.59Å; F405-F432 HydrophobicContact CZ-CE2 3.59Å; F405-F432 HydrophobicContact CZ-CG 4.35Å; F405-F432 HydrophobicContact CZ-CZ 4.48Å; Y427-F432 HydrophobicContact CD1-CB 4.14Å; Y427-F432 HydrophobicContact CD1-CD2 4.26Å; Y427-F432 HydrophobicContact CD2-CB 4.49Å; Y427-F432 HydrophobicContact CE1-CB 4.17Å; Y427-F432 AromaticContact CE1-CD2 3.91Å; Y427-F432 HydrophobicContact CE1-CD2 3.91Å; Y427-F432 HydrophobicContact CE2-CB 4.49Å; Y427-F432 HydrophobicContact CG-CB 4.3Å; Y427-F432 WeakPolarHBondContact O-CB 3.39Å; Y427-F432 PolarHBondContact O-N 3.05Å; Y427-F432 VanDerWaalsContact O-N 3.08Å; F428-F432 HydrophobicContact CD1-CB 4.32Å; F428-F432 AromaticContact CD1-CD1 3.45Å; F428-F432 HydrophobicContact CD1-CD1 3.45Å; F428-F432 VanDerWaalsContact CD1-CD1 3.45Å; F428-F432 HydrophobicContact CD1-CD2 4.44Å; F428-F432 AromaticContact CD1-CE1 3.76Å; F428-F432 HydrophobicContact CD1-CE1 3.76Å; F428-F432 AromaticContact CD1-CG 3.81Å; F428-F432 HydrophobicContact CD1-CG 3.81Å; F428-F432 HydrophobicContact CD1-CZ 4.36Å; F428-F432 AromaticContact CE1-CD1 3.64Å; F428-F432 HydrophobicContact CE1-CD1 3.64Å; F428-F432 HydrophobicContact CE1-CD2 4.28Å; F428-F432 AromaticContact CE1-CE1 3.45Å; F428-F432 HydrophobicContact CE1-CE1 3.45Å; F428-F432 VanDerWaalsContact CE1-CE1 3.45Å; F428-F432 HydrophobicContact CE1-CE2 4.12Å; F428-F432 HydrophobicContact CE1-CG 4.04Å; F428-F432 AromaticContact CE1-CZ 3.69Å; F428-F432 HydrophobicContact CE1-CZ 3.69Å; F432-I434 VanDerWaalsContact C-N 3.34Å; F432-I434 PolarHBondContact O-N 3.39Å; F432-D435 PolarHBondContact O-N 3.2Å; F432-D435 VanDerWaalsContact O-N 3.13Å; F432-V436 HydrophobicContact CD1-CG2 4.25Å; F432-V436 HydrophobicContact CD2-CG2 3.87Å; F432-V436 HydrophobicContact CE1-CG2 3.82Å; F432-V436 HydrophobicContact CE2-CG2 3.4Å; F432-V436 HydrophobicContact CG-CG2 4.29Å; F432-V436 HydrophobicContact CZ-CG2 3.39Å; F432-V436 WeakPolarHBondContact O-CG2 3.38Å; F432-V436 PolarHBondContact O-N 2.98Å |
| 433 | L | 87.5 | Confident | 85.8 | Confident | 124 Ų | 124 | 59 Ų | 59 | 65% | 0.649 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.4 | -43 | -176.8 | -177.6 | 63.4 | 0 | 0 | 0 | 112.3 | W431 V437 | W431-L433 VanDerWaalsContact C-N 3.34Å; W431-L433 PolarHBondContact O-N 3.12Å; L433-V437 WeakPolarHBondContact O-CG2 3.42Å; L433-V437 PolarHBondContact O-N 3.42Å; L433-V437 VanDerWaalsContact O-N 3.15Å |
| 434 | I | 86.1 | Confident | 84.7 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 30% | 0.303 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 177.2 | -63.1 | 168.4 | 0 | 0 | 0 | 110 | W431 F432 A438 V470 | W431-I434 HydrophobicContact CE3-CD1 4.05Å; W431-I434 HydrophobicContact CZ3-CD1 4.17Å; W431-I434 PolarHBondContact O-N 3.17Å; F432-I434 VanDerWaalsContact C-N 3.34Å; F432-I434 PolarHBondContact O-N 3.39Å; I434-A438 WeakPolarHBondContact O-CB 3.4Å; I434-A438 PolarHBondContact O-N 2.99Å; I434-V470 HydrophobicContact CG2-CB 4.29Å; I434-V470 HydrophobicContact CG2-CG1 4.31Å; I434-V470 HydrophobicContact CG2-CG2 4.36Å |
| 435 | D | 87.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.7 | -36.8 | -179.6 | -74 | -29.5 | 0 | 0 | 0 | 113.1 | I401 Y427 W431 F432 A439 R471 R474 | I401-D435 HydrophobicContact CD1-CB 4.45Å; I401-D435 HydrophobicContact CG1-CB 4.15Å; Y427-D435 VanDerWaalsContact CE2-OD2 3.32Å; Y427-D435 WeakPolarHBondContact CE2-OD2 3.47Å; Y427-D435 WeakPolarHBondContact OH-CB 3.41Å; Y427-D435 PolarHBondContact OH-OD2 3.36Å; W431-D435 PolarHBondContact O-N 2.92Å; W431-D435 VanDerWaalsContact O-N 3.09Å; F432-D435 PolarHBondContact O-N 3.2Å; F432-D435 VanDerWaalsContact O-N 3.13Å; D435-A439 WeakPolarHBondContact O-CB 3.49Å; D435-A439 PolarHBondContact O-N 2.94Å; D435-R471 VanDerWaalsContact CA-NH2 3.32Å; D435-R471 PolarHBondContact O-NH2 3.17Å; D435-R471 IonicContact OD1-CZ 2.77Å; D435-R471 IonicContact OD1-NE 3.82Å; D435-R471 PolarHBondContact OD1-NE 2.82Å; D435-R471 IonicContact OD1-NH2 3.78Å; D435-R471 PolarHBondContact OD1-NH2 2.89Å; D435-R474 VanDerWaalsContact CG-NH1 3.3Å; D435-R474 IonicContact OD1-CZ 3.44Å; D435-R474 IonicContact OD1-NH1 3.35Å; D435-R474 PolarHBondContact OD1-NH1 3.37Å; D435-R474 IonicContact OD1-NH2 3.82Å; D435-R474 PolarHBondContact OD1-NH2 3.13Å; D435-R474 IonicContact OD2-CZ 2.7Å; D435-R474 IonicContact OD2-NH1 2.73Å; D435-R474 PolarHBondContact OD2-NH1 2.82Å; D435-R474 IonicContact OD2-NH2 3.56Å; D435-R474 PolarHBondContact OD2-NH2 3.02Å |
| 436 | V | 88.3 | Confident | 82.2 | Confident | 51 Ų | 51 | 65 Ų | 65 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.8 | -52 | 174.8 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | I401 F432 A438 A439 I440 | I401-V436 HydrophobicContact CD1-CG2 4.36Å; F432-V436 HydrophobicContact CD1-CG2 4.25Å; F432-V436 HydrophobicContact CD2-CG2 3.87Å; F432-V436 HydrophobicContact CE1-CG2 3.82Å; F432-V436 HydrophobicContact CE2-CG2 3.4Å; F432-V436 HydrophobicContact CG-CG2 4.29Å; F432-V436 HydrophobicContact CZ-CG2 3.39Å; F432-V436 WeakPolarHBondContact O-CG2 3.38Å; F432-V436 PolarHBondContact O-N 2.98Å; V436-A438 PolarHBondContact O-N 3.12Å; V436-A439 PolarHBondContact O-N 2.89Å; V436-I440 PolarHBondContact O-N 3.49Å |
| 437 | V | 85.9 | Confident | 80.8 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 33% | 0.327 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.2 | -37.3 | 179.5 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | L433 A439 L467 | L433-V437 WeakPolarHBondContact O-CG2 3.42Å; L433-V437 PolarHBondContact O-N 3.42Å; L433-V437 VanDerWaalsContact O-N 3.15Å; V437-A439 VanDerWaalsContact C-N 3.25Å; V437-A439 PolarHBondContact O-N 3.47Å; V437-L467 HydrophobicContact CG1-CD1 3.81Å |
| 438 | A | 84.7 | Confident | 79.3 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 2% | 0.017 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -14.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | I434 V436 L467 R468 | I434-A438 WeakPolarHBondContact O-CB 3.4Å; I434-A438 PolarHBondContact O-N 2.99Å; V436-A438 PolarHBondContact O-N 3.12Å; A438-L467 HydrophobicContact CB-CB 4.1Å; A438-R468 HydrophobicContact CB-CG 3.94Å; A438-R468 VanDerWaalsContact O-CZ 3.23Å; A438-R468 PolarHBondContact O-NE 2.91Å; A438-R468 PolarHBondContact O-NH2 2.77Å |
| 439 | A | 85.3 | Confident | 77.8 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I398 I401 D435 V436 V437 P441 | I398-A439 HydrophobicContact CG1-CB 4.22Å; I401-A439 HydrophobicContact CD1-CB 3.76Å; D435-A439 WeakPolarHBondContact O-CB 3.49Å; D435-A439 PolarHBondContact O-N 2.94Å; V436-A439 PolarHBondContact O-N 2.89Å; V437-A439 VanDerWaalsContact C-N 3.25Å; V437-A439 PolarHBondContact O-N 3.47Å; A439-P441 WeakPolarHBondContact O-CD 3.42Å |
| 440 | I | 83 | Confident | 76.4 | Confident | 63 Ų | 63 | 67 Ų | 67 | 32% | 0.323 | 36% | 0.364 | S | S | . | . | trans | -70 | 122.5 | -179.4 | -63.7 | 168.4 | 0 | 0 | 0 | 110.6 | V436 F442 | V436-I440 PolarHBondContact O-N 3.49Å; I440-F442 VanDerWaalsContact C-N 3.33Å; I440-F442 HydrophobicContact CB-CD2 4.21Å; I440-F442 HydrophobicContact CB-CE1 4.36Å; I440-F442 HydrophobicContact CB-CE2 3.71Å; I440-F442 HydrophobicContact CB-CZ 3.8Å; I440-F442 HydrophobicContact CD1-CZ 4.1Å; I440-F442 HydrophobicContact CG2-CD1 3.94Å; I440-F442 HydrophobicContact CG2-CD2 4.05Å; I440-F442 HydrophobicContact CG2-CE1 3.75Å; I440-F442 HydrophobicContact CG2-CE2 3.87Å; I440-F442 HydrophobicContact CG2-CG 4.08Å; I440-F442 HydrophobicContact CG2-CZ 3.72Å; I440-F442 WeakPolarHBondContact O-CD2 3.23Å; I440-F442 PolarHBondContact O-N 2.92Å | ||
| 441 | P | 80.5 | Confident | 75.6 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | trans | -81.6 | 77.4 | 175.2 | 33.8 | -34.9 | 0 | 0 | 0 | 110.5 | D394 A439 D443 L444 | D394-P441 HydrophobicContact CB-CB 4.48Å; A439-P441 WeakPolarHBondContact O-CD 3.42Å; P441-D443 PolarHBondContact O-N 2.83Å; P441-L444 HydrophobicContact CB-CD1 4.36Å; P441-L444 HydrophobicContact CG-CD1 3.98Å; P441-L444 PolarHBondContact O-N 2.81Å; P441-L444 VanDerWaalsContact O-N 3.09Å | ||
| 442 | F | 73.6 | Confident | 74.8 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -54.9 | -19.7 | 179.4 | -66 | -80.3 | 0 | 0 | 0 | 113.9 | I440 L444 L445 L446 I458 L461 A464 | I440-F442 VanDerWaalsContact C-N 3.33Å; I440-F442 HydrophobicContact CB-CD2 4.21Å; I440-F442 HydrophobicContact CB-CE1 4.36Å; I440-F442 HydrophobicContact CB-CE2 3.71Å; I440-F442 HydrophobicContact CB-CZ 3.8Å; I440-F442 HydrophobicContact CD1-CZ 4.1Å; I440-F442 HydrophobicContact CG2-CD1 3.94Å; I440-F442 HydrophobicContact CG2-CD2 4.05Å; I440-F442 HydrophobicContact CG2-CE1 3.75Å; I440-F442 HydrophobicContact CG2-CE2 3.87Å; I440-F442 HydrophobicContact CG2-CG 4.08Å; I440-F442 HydrophobicContact CG2-CZ 3.72Å; I440-F442 WeakPolarHBondContact O-CD2 3.23Å; I440-F442 PolarHBondContact O-N 2.92Å; F442-L444 PolarHBondContact O-N 2.95Å; F442-L445 HydrophobicContact CD1-CD1 4.11Å; F442-L445 WeakPolarHBondContact O-CB 3.28Å; F442-L445 PolarHBondContact O-N 2.93Å; F442-L445 VanDerWaalsContact O-N 3.08Å; F442-L446 PolarHBondContact O-N 3.38Å; F442-I458 HydrophobicContact CB-CG2 4.31Å; F442-I458 WeakPolarHBondContact O-CG2 3.19Å; F442-L461 HydrophobicContact CD1-CB 4.01Å; F442-L461 HydrophobicContact CD1-CD1 4.28Å; F442-L461 HydrophobicContact CE1-CB 4.33Å; F442-L461 HydrophobicContact CE1-CD1 4.42Å; F442-L461 HydrophobicContact CG-CB 4.2Å; F442-A464 HydrophobicContact CE2-CB 3.96Å; F442-A464 HydrophobicContact CZ-CB 4.47Å |
| 443 | D | 68.1 | Low | 74 | Confident | 45 Ų | 45 | 71.2 Ų | 71.2 | 24% | 0.241 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -29.1 | 177.9 | -65.7 | -1.7 | 0 | 0 | 0 | 113 | P441 L446 K462 R465 | P441-D443 PolarHBondContact O-N 2.83Å; D443-L446 WeakPolarHBondContact O-CB 3.44Å; D443-L446 PolarHBondContact O-N 3.42Å; D443-K462 WeakPolarHBondContact OD1-CE 3.38Å; D443-K462 IonicContact OD1-NZ 2.76Å; D443-K462 PolarHBondContact OD1-NZ 2.86Å; D443-K462 IonicContact OD2-NZ 2.68Å; D443-K462 PolarHBondContact OD2-NZ 3.34Å; D443-R465 IonicContact OD1-NH2 2.87Å; D443-R465 IonicContact OD2-CZ 2.75Å; D443-R465 IonicContact OD2-NH1 3.64Å; D443-R465 IonicContact OD2-NH2 2.61Å; D443-R465 PolarHBondContact OD2-NH2 2.96Å |
| 444 | L | 68.1 | Low | 73.2 | Confident | 120 Ų | 120 | 70.1 Ų | 70.1 | 63% | 0.628 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72.5 | -31.5 | 174.1 | -65 | 176.5 | 0 | 0 | 0 | 112.2 | P441 F442 L446 F447 | P441-L444 HydrophobicContact CB-CD1 4.36Å; P441-L444 HydrophobicContact CG-CD1 3.98Å; P441-L444 PolarHBondContact O-N 2.81Å; P441-L444 VanDerWaalsContact O-N 3.09Å; F442-L444 PolarHBondContact O-N 2.95Å; L444-L446 VanDerWaalsContact C-N 3.29Å; L444-L446 PolarHBondContact O-N 3.48Å; L444-F447 WeakPolarHBondContact O-CB 3.35Å; L444-F447 PolarHBondContact O-N 3.02Å |
| 445 | L | 68 | Low | 72.3 | Confident | 109 Ų | 109 | 67.9 Ų | 67.9 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -71.4 | -27.7 | 175.5 | -61.3 | 172.4 | 0 | 0 | 0 | 111.6 | F442 F447 G448 | F442-L445 HydrophobicContact CD1-CD1 4.11Å; F442-L445 WeakPolarHBondContact O-CB 3.28Å; F442-L445 PolarHBondContact O-N 2.93Å; F442-L445 VanDerWaalsContact O-N 3.08Å; L445-F447 PolarHBondContact O-N 3.26Å; L445-G448 PolarHBondContact O-N 3.4Å |
| 446 | L | 61.8 | Low | 71.4 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 22% | 0.22 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -64 | -18.1 | 174.6 | -125.2 | 163.9 | 0 | 0 | 0 | 113 | F442 D443 L444 G448 A455 I458 | F442-L446 PolarHBondContact O-N 3.38Å; D443-L446 WeakPolarHBondContact O-CB 3.44Å; D443-L446 PolarHBondContact O-N 3.42Å; L444-L446 VanDerWaalsContact C-N 3.29Å; L444-L446 PolarHBondContact O-N 3.48Å; L446-G448 VanDerWaalsContact C-N 3.34Å; L446-A455 HydrophobicContact CD2-CB 4.08Å; L446-I458 HydrophobicContact CB-CG2 4.02Å; L446-I458 HydrophobicContact CD1-CB 4.3Å; L446-I458 HydrophobicContact CD1-CG2 3.86Å; L446-I458 HydrophobicContact CG-CB 3.95Å; L446-I458 HydrophobicContact CG-CD1 4.46Å; L446-I458 HydrophobicContact CG-CG2 3.64Å |
| 447 | F | 58.7 | Low | 70.7 | Confident | 172 Ų | 172 | 72.5 Ų | 72.5 | 75% | 0.754 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -71 | -26.6 | 175.7 | -166.1 | -94.8 | 0 | 0 | 0 | 113 | L444 L445 | L444-F447 WeakPolarHBondContact O-CB 3.35Å; L444-F447 PolarHBondContact O-N 3.02Å; L445-F447 PolarHBondContact O-N 3.26Å |
| 448 | G | 59.2 | Low | 70 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 65% | 0.649 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -98.4 | 6.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | L445 L446 E450 | L445-G448 PolarHBondContact O-N 3.4Å; L446-G448 VanDerWaalsContact C-N 3.34Å; G448-E450 PolarHBondContact O-N 3.31Å |
| 449 | A | 60.4 | Low | 69.3 | Low | 27 Ų | 27 | 70.9 Ų | 70.9 | 22% | 0.223 | 38% | 0.382 | C | S | . | . | trans | -88.6 | 95.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112 | T451 M454 I458 | A449-T451 PolarHBondContact O-N 3.19Å; A449-M454 HydrophobicContact CB-CB 4.17Å; A449-I458 HydrophobicContact CB-CD1 3.68Å | ||
| 450 | E | 59.2 | Low | 68.7 | Low | 200 Ų | 200 | 75.6 Ų | 75.6 | 94% | 0.935 | 41% | 0.406 | S | S | * | . | trans | -69.5 | -26.5 | -177.7 | -62.1 | -166.5 | 139.9 | 0 | 0 | 114.4 | G448 | G448-E450 PolarHBondContact O-N 3.31Š| ||
| 451 | T | 68.6 | Low | 68.4 | Low | 71 Ų | 71 | 76.2 Ų | 76.2 | 44% | 0.436 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -102.7 | 143.1 | -175.1 | 72.1 | 0 | 0 | 0 | 0 | 113.4 | A449 E453 M454 A455 | A449-T451 PolarHBondContact O-N 3.19Å; T451-E453 PolarHBondContact O-N 2.86Å; T451-M454 PolarHBondContact O-N 2.82Å; T451-M454 WeakPolarHBondContact OG1-CB 3.46Å; T451-M454 WeakPolarHBondContact OG1-CG 3.48Å; T451-M454 PolarHBondContact OG1-N 3.12Å; T451-A455 PolarHBondContact O-N 2.8Å |
| 452 | D | 68.1 | Low | 68.2 | Low | 72 Ų | 72 | 75.9 Ų | 75.9 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55.2 | -34.1 | 176.3 | -120.3 | 13.8 | 0 | 0 | 0 | 111.4 | R368 T456 | R368-D452 IonicContact CZ-OD2 3.66Å; R368-D452 IonicContact NE-OD2 3.85Å; R368-D452 IonicContact NH2-OD2 3.69Å; R368-D452 PolarHBondContact NH2-OD2 2.99Å; D452-T456 WeakPolarHBondContact O-CG2 3.4Å; D452-T456 PolarHBondContact O-N 2.79Å; D452-T456 VanDerWaalsContact O-N 3.13Å |
| 453 | E | 71.3 | Confident | 68.4 | Low | 152 Ų | 152 | 77.9 Ų | 77.9 | 71% | 0.71 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.1 | -49.8 | 176.9 | -65.8 | -174.6 | 169.9 | 0 | 0 | 112.7 | T451 A455 T456 L457 | T451-E453 PolarHBondContact O-N 2.86Å; E453-A455 VanDerWaalsContact C-N 3.28Å; E453-A455 PolarHBondContact O-N 3.4Å; E453-T456 WeakPolarHBondContact O-CA 3.34Å; E453-T456 WeakPolarHBondContact O-CB 3.47Å; E453-T456 PolarHBondContact O-N 2.83Å; E453-T456 PolarHBondContact O-OG1 3.21Å; E453-L457 PolarHBondContact O-N 3.36Å |
| 454 | M | 70 | Confident | 69 | Low | 101 Ų | 101 | 76.7 Ų | 76.7 | 50% | 0.498 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 176.6 | -69 | -67 | 175.6 | 0 | 0 | 111 | A449 T451 T456 L457 I458 | A449-M454 HydrophobicContact CB-CB 4.17Å; T451-M454 PolarHBondContact O-N 2.82Å; T451-M454 WeakPolarHBondContact OG1-CB 3.46Å; T451-M454 WeakPolarHBondContact OG1-CG 3.48Å; T451-M454 PolarHBondContact OG1-N 3.12Å; M454-T456 PolarHBondContact O-N 2.94Å; M454-L457 PolarHBondContact O-N 2.86Å; M454-L457 VanDerWaalsContact O-N 3.14Å; M454-L457 HydrophobicContact SD-CD2 4.4Å; M454-I458 VanDerWaalsContact O-CG1 3.3Å; M454-I458 WeakPolarHBondContact O-CG1 3.38Å; M454-I458 PolarHBondContact O-N 2.83Å |
| 455 | A | 67.1 | Low | 69.7 | Low | 13 Ų | 13 | 71.2 Ų | 71.2 | 11% | 0.107 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63 | -27.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | L446 T451 E453 G459 | L446-A455 HydrophobicContact CD2-CB 4.08Å; T451-A455 PolarHBondContact O-N 2.8Å; E453-A455 VanDerWaalsContact C-N 3.28Å; E453-A455 PolarHBondContact O-N 3.4Å; A455-G459 PolarHBondContact O-N 3Å |
| 456 | T | 70.5 | Confident | 70.4 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 33% | 0.325 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72 | -45.8 | 169.2 | 82.1 | 0 | 0 | 0 | 0 | 111.8 | D452 E453 M454 G459 L460 | D452-T456 WeakPolarHBondContact O-CG2 3.4Å; D452-T456 PolarHBondContact O-N 2.79Å; D452-T456 VanDerWaalsContact O-N 3.13Å; E453-T456 WeakPolarHBondContact O-CA 3.34Å; E453-T456 WeakPolarHBondContact O-CB 3.47Å; E453-T456 PolarHBondContact O-N 2.83Å; E453-T456 PolarHBondContact O-OG1 3.21Å; M454-T456 PolarHBondContact O-N 2.94Å; T456-G459 CarbonylContact O-C 3.57Å; T456-G459 WeakPolarHBondContact O-CA 3.2Å; T456-G459 PolarHBondContact O-N 3.42Å; T456-L460 PolarHBondContact O-N 2.87Å |
| 457 | L | 72.8 | Confident | 71.5 | Confident | 95 Ų | 95 | 69.7 Ų | 69.7 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | -174.3 | -173.7 | 65.4 | 0 | 0 | 0 | 111.1 | E453 M454 G459 L460 L461 | E453-L457 PolarHBondContact O-N 3.36Å; M454-L457 PolarHBondContact O-N 2.86Å; M454-L457 VanDerWaalsContact O-N 3.14Å; M454-L457 HydrophobicContact SD-CD2 4.4Å; L457-G459 VanDerWaalsContact C-N 3.32Å; L457-L460 CarbonylContact O-C 3.54Å; L457-L460 WeakPolarHBondContact O-CB 3.31Å; L457-L460 PolarHBondContact O-N 2.99Å; L457-L460 VanDerWaalsContact O-N 3.16Å; L457-L461 WeakPolarHBondContact O-CG 3.26Å; L457-L461 PolarHBondContact O-N 3.17Å |
| 458 | I | 70.8 | Confident | 72.7 | Confident | 21 Ų | 21 | 61.5 Ų | 61.5 | 11% | 0.108 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.4 | -33.9 | 175.1 | -56.9 | 161.2 | 0 | 0 | 0 | 110.6 | F442 L446 A449 M454 L460 L461 K462 | F442-I458 HydrophobicContact CB-CG2 4.31Å; F442-I458 WeakPolarHBondContact O-CG2 3.19Å; L446-I458 HydrophobicContact CB-CG2 4.02Å; L446-I458 HydrophobicContact CD1-CB 4.3Å; L446-I458 HydrophobicContact CD1-CG2 3.86Å; L446-I458 HydrophobicContact CG-CB 3.95Å; L446-I458 HydrophobicContact CG-CD1 4.46Å; L446-I458 HydrophobicContact CG-CG2 3.64Å; A449-I458 HydrophobicContact CB-CD1 3.68Å; M454-I458 VanDerWaalsContact O-CG1 3.3Å; M454-I458 WeakPolarHBondContact O-CG1 3.38Å; M454-I458 PolarHBondContact O-N 2.83Å; I458-L460 VanDerWaalsContact C-N 3.29Å; I458-L460 PolarHBondContact O-N 2.65Å; I458-L461 PolarHBondContact O-N 3.33Å; I458-K462 PolarHBondContact O-N 2.87Å |
| 459 | G | 69.2 | Low | 73.8 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.1 | -37 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A455 T456 L457 K462 | A455-G459 PolarHBondContact O-N 3Å; T456-G459 CarbonylContact O-C 3.57Å; T456-G459 WeakPolarHBondContact O-CA 3.2Å; T456-G459 PolarHBondContact O-N 3.42Å; L457-G459 VanDerWaalsContact C-N 3.32Å; G459-K462 WeakPolarHBondContact O-CB 3.36Å |
| 460 | L | 73.5 | Confident | 74.9 | Confident | 107 Ų | 107 | 61.1 Ų | 61.1 | 56% | 0.56 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -75.7 | -35.2 | 172.5 | -69.7 | 171.1 | 0 | 0 | 0 | 112.3 | T456 L457 I458 K462 T463 | T456-L460 PolarHBondContact O-N 2.87Å; L457-L460 CarbonylContact O-C 3.54Å; L457-L460 WeakPolarHBondContact O-CB 3.31Å; L457-L460 PolarHBondContact O-N 2.99Å; L457-L460 VanDerWaalsContact O-N 3.16Å; I458-L460 VanDerWaalsContact C-N 3.29Å; I458-L460 PolarHBondContact O-N 2.65Å; L460-K462 PolarHBondContact O-N 3.37Å; L460-T463 VanDerWaalsContact O-CB 3.3Å; L460-T463 WeakPolarHBondContact O-CB 3.29Å; L460-T463 WeakPolarHBondContact O-CG2 3.49Å; L460-T463 PolarHBondContact O-N 2.77Å; L460-T463 PolarHBondContact O-OG1 2.63Å |
| 461 | L | 76.6 | Confident | 75.9 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 40% | 0.398 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.6 | -24.7 | 174.2 | -73.9 | 170.6 | 0 | 0 | 0 | 112.7 | F442 L457 I458 T463 A464 | F442-L461 HydrophobicContact CD1-CB 4.01Å; F442-L461 HydrophobicContact CD1-CD1 4.28Å; F442-L461 HydrophobicContact CE1-CB 4.33Å; F442-L461 HydrophobicContact CE1-CD1 4.42Å; F442-L461 HydrophobicContact CG-CB 4.2Å; L457-L461 WeakPolarHBondContact O-CG 3.26Å; L457-L461 PolarHBondContact O-N 3.17Å; I458-L461 PolarHBondContact O-N 3.33Å; L461-T463 PolarHBondContact O-N 3.13Å; L461-T463 VanDerWaalsContact O-N 3.1Å; L461-A464 WeakPolarHBondContact O-CB 3.33Å; L461-A464 PolarHBondContact O-N 2.87Å |
| 462 | K | 76.3 | Confident | 76.3 | Confident | 30 Ų | 30 | 49.7 Ų | 49.7 | 13% | 0.13 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -53.1 | -29.3 | 168.1 | -62.5 | -164.4 | -177.3 | -126.6 | 0 | 113.1 | T352 D443 I458 G459 L460 A464 R465 | T352-K462 HydrophobicContact CG2-CB 4.3Å; T352-K462 WeakPolarHBondContact CG2-O 3.28Å; D443-K462 WeakPolarHBondContact OD1-CE 3.38Å; D443-K462 IonicContact OD1-NZ 2.76Å; D443-K462 PolarHBondContact OD1-NZ 2.86Å; D443-K462 IonicContact OD2-NZ 2.68Å; D443-K462 PolarHBondContact OD2-NZ 3.34Å; I458-K462 PolarHBondContact O-N 2.87Å; G459-K462 WeakPolarHBondContact O-CB 3.36Å; L460-K462 PolarHBondContact O-N 3.37Å; K462-A464 PolarHBondContact O-N 3.37Å; K462-A464 VanDerWaalsContact O-N 3.16Å; K462-R465 VanDerWaalsContact O-CB 3.23Å; K462-R465 WeakPolarHBondContact O-CB 3.43Å; K462-R465 VanDerWaalsContact O-CG 3.31Å; K462-R465 WeakPolarHBondContact O-CG 3.41Å; K462-R465 PolarHBondContact O-N 2.97Å |
| 463 | T | 78.3 | Confident | 76.7 | Confident | 66 Ų | 66 | 50.8 Ų | 50.8 | 41% | 0.405 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -62.8 | -18.2 | 176.9 | 65 | 0 | 0 | 0 | 0 | 113.4 | L460 L461 R465 L466 | L460-T463 VanDerWaalsContact O-CB 3.3Å; L460-T463 WeakPolarHBondContact O-CB 3.29Å; L460-T463 WeakPolarHBondContact O-CG2 3.49Å; L460-T463 PolarHBondContact O-N 2.77Å; L460-T463 PolarHBondContact O-OG1 2.63Å; L461-T463 PolarHBondContact O-N 3.13Å; L461-T463 VanDerWaalsContact O-N 3.1Å; T463-R465 PolarHBondContact O-N 3.17Å; T463-R465 VanDerWaalsContact O-N 3.17Å; T463-L466 VanDerWaalsContact O-CB 3.27Å; T463-L466 WeakPolarHBondContact O-CB 2.87Å; T463-L466 WeakPolarHBondContact O-CG 3.35Å; T463-L466 PolarHBondContact O-N 2.82Å |
| 464 | A | 81.1 | Confident | 76.8 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -59.6 | -22.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F442 L461 K462 L466 L467 | F442-A464 HydrophobicContact CE2-CB 3.96Å; F442-A464 HydrophobicContact CZ-CB 4.47Å; L461-A464 WeakPolarHBondContact O-CB 3.33Å; L461-A464 PolarHBondContact O-N 2.87Å; K462-A464 PolarHBondContact O-N 3.37Å; K462-A464 VanDerWaalsContact O-N 3.16Å; A464-L466 PolarHBondContact O-N 2.93Å; A464-L466 VanDerWaalsContact O-N 3.17Å; A464-L467 VanDerWaalsContact O-CB 3.29Å; A464-L467 WeakPolarHBondContact O-CB 3.3Å; A464-L467 WeakPolarHBondContact O-CG 3.47Å; A464-L467 PolarHBondContact O-N 2.72Å |
| 465 | R | 82.6 | Confident | 76.9 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -57.7 | -24.1 | 168.7 | -66.2 | -176.9 | 169.3 | 152.9 | 1 | 112.1 | T352 D390 D394 D443 K462 T463 L467 R468 | T352-R465 HydrophobicContact CG2-CB 4.29Å; D390-R465 IonicContact OD1-NH1 3.26Å; D390-R465 IonicContact OD2-CZ 2.93Å; D390-R465 IonicContact OD2-NH1 3.39Å; D390-R465 PolarHBondContact OD2-NH1 2.79Å; D390-R465 IonicContact OD2-NH2 3.21Å; D394-R465 IonicContact OD1-CZ 3.76Å; D394-R465 IonicContact OD1-NE 3.93Å; D394-R465 PolarHBondContact OD1-NE 3.26Å; D394-R465 IonicContact OD1-NH2 3.33Å; D394-R465 IonicContact OD2-CZ 2.76Å; D394-R465 IonicContact OD2-NE 3.37Å; D394-R465 PolarHBondContact OD2-NE 2.94Å; D394-R465 IonicContact OD2-NH2 2.63Å; D394-R465 PolarHBondContact OD2-NH2 2.88Å; D443-R465 IonicContact OD1-NH2 2.87Å; D443-R465 IonicContact OD2-CZ 2.75Å; D443-R465 IonicContact OD2-NH1 3.64Å; D443-R465 IonicContact OD2-NH2 2.61Å; D443-R465 PolarHBondContact OD2-NH2 2.96Å; K462-R465 VanDerWaalsContact O-CB 3.23Å; K462-R465 WeakPolarHBondContact O-CB 3.43Å; K462-R465 VanDerWaalsContact O-CG 3.31Å; K462-R465 WeakPolarHBondContact O-CG 3.41Å; K462-R465 PolarHBondContact O-N 2.97Å; T463-R465 PolarHBondContact O-N 3.17Å; T463-R465 VanDerWaalsContact O-N 3.17Å; R465-L467 PolarHBondContact O-N 3.36Å; R465-R468 WeakPolarHBondContact O-CB 3.14Å; R465-R468 WeakPolarHBondContact O-CD 3.36Å; R465-R468 WeakPolarHBondContact O-CG 3.45Å; R465-R468 PolarHBondContact O-N 2.75Å; R465-R468 VanDerWaalsContact O-N 3.16Å |
| 466 | L | 82.6 | Confident | 77.2 | Confident | 46 Ų | 46 | 45.5 Ų | 45.5 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -67.4 | -20.8 | 175.8 | -61 | 179.6 | 0 | 0 | 0 | 113.3 | P353 T463 A464 R468 L469 W500 | P353-L466 HydrophobicContact CG-CD2 4.18Å; T463-L466 VanDerWaalsContact O-CB 3.27Å; T463-L466 WeakPolarHBondContact O-CB 2.87Å; T463-L466 WeakPolarHBondContact O-CG 3.35Å; T463-L466 PolarHBondContact O-N 2.82Å; A464-L466 PolarHBondContact O-N 2.93Å; A464-L466 VanDerWaalsContact O-N 3.17Å; L466-R468 PolarHBondContact O-N 3.26Å; L466-L469 WeakPolarHBondContact O-CB 3.32Å; L466-L469 PolarHBondContact O-N 2.99Å; L466-W500 HydrophobicContact CD1-CZ2 4.47Å; L466-W500 HydrophobicContact CD2-CZ2 4.08Å |
| 467 | L | 84.2 | Confident | 77.2 | Confident | 73 Ų | 73 | 48.8 Ų | 48.8 | 38% | 0.382 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -60.1 | -18.2 | 172.6 | -63 | 173.2 | 0 | 0 | 0 | 112.7 | V437 A438 A464 R465 L469 V470 | V437-L467 HydrophobicContact CG1-CD1 3.81Å; A438-L467 HydrophobicContact CB-CB 4.1Å; A464-L467 VanDerWaalsContact O-CB 3.29Å; A464-L467 WeakPolarHBondContact O-CB 3.3Å; A464-L467 WeakPolarHBondContact O-CG 3.47Å; A464-L467 PolarHBondContact O-N 2.72Å; R465-L467 PolarHBondContact O-N 3.36Å; L467-L469 PolarHBondContact O-N 3.26Å; L467-V470 WeakPolarHBondContact O-CB 3.25Å; L467-V470 WeakPolarHBondContact O-CG2 3.49Å; L467-V470 PolarHBondContact O-N 2.71Å |
| 468 | R | 84 | Confident | 77 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -56.4 | -27.9 | 172.4 | -64.9 | 169.4 | -176.8 | -171.8 | -0.9 | 112.4 | V345 D394 F397 A438 R465 L466 V470 R471 | V345-R468 HydrophobicContact CG1-CB 4.38Å; V345-R468 HydrophobicContact CG2-CB 4.19Å; D394-R468 IonicContact OD1-CZ 3.17Å; D394-R468 IonicContact OD1-NH1 2.72Å; D394-R468 PolarHBondContact OD1-NH1 2.81Å; D394-R468 IonicContact OD1-NH2 3.95Å; D394-R468 PolarHBondContact OD1-NH2 2.7Å; F397-R468 VanDerWaalsContact CE2-CD 3.48Å; F397-R468 HydrophobicContact CE2-CG 4.37Å; F397-R468 HydrophobicContact CZ-CG 4.47Å; A438-R468 HydrophobicContact CB-CG 3.94Å; A438-R468 VanDerWaalsContact O-CZ 3.23Å; A438-R468 PolarHBondContact O-NE 2.91Å; A438-R468 PolarHBondContact O-NH2 2.77Å; R465-R468 WeakPolarHBondContact O-CB 3.14Å; R465-R468 WeakPolarHBondContact O-CD 3.36Å; R465-R468 WeakPolarHBondContact O-CG 3.45Å; R465-R468 PolarHBondContact O-N 2.75Å; R465-R468 VanDerWaalsContact O-N 3.16Å; L466-R468 PolarHBondContact O-N 3.26Å; R468-V470 PolarHBondContact O-N 3.33Å; R468-R471 WeakPolarHBondContact O-CB 3.44Å; R468-R471 PolarHBondContact O-N 3.38Å; R468-R471 VanDerWaalsContact O-N 3.09Å |
| 469 | L | 82.8 | Confident | 77.1 | Confident | 41 Ų | 41 | 47.7 Ų | 47.7 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -62.7 | -23.6 | 175.7 | -76.8 | 164.3 | 0 | 0 | 0 | 114.1 | V345 A349 L466 L467 R471 V472 V473 L496 W500 | V345-L469 HydrophobicContact CG1-CD2 3.72Å; V345-L469 HydrophobicContact CG1-CG 4.05Å; A349-L469 HydrophobicContact CB-CD1 3.98Å; A349-L469 HydrophobicContact CB-CD2 4.07Å; A349-L469 HydrophobicContact CB-CG 4.2Å; L466-L469 WeakPolarHBondContact O-CB 3.32Å; L466-L469 PolarHBondContact O-N 2.99Å; L467-L469 PolarHBondContact O-N 3.26Å; L469-R471 PolarHBondContact O-N 3.14Å; L469-R471 VanDerWaalsContact O-N 3.13Å; L469-V472 HydrophobicContact CD2-CG2 4.17Å; L469-V472 WeakPolarHBondContact O-CB 3.28Å; L469-V472 PolarHBondContact O-N 3.33Å; L469-V473 PolarHBondContact O-N 3.37Å; L469-L496 HydrophobicContact CD1-CD2 4.38Å; L469-L496 HydrophobicContact CD2-CD2 4.44Å; L469-W500 HydrophobicContact CD1-CH2 3.52Å; L469-W500 HydrophobicContact CD1-CZ2 3.49Å; L469-W500 VanDerWaalsContact CD1-CZ2 3.49Å |
| 470 | V | 82.6 | Confident | 77.1 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 24% | 0.242 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -27.8 | 173.7 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | W431 I434 L467 R468 V472 V473 R474 | W431-V470 HydrophobicContact CE3-CG1 4.19Å; W431-V470 HydrophobicContact CH2-CG1 4.34Å; W431-V470 HydrophobicContact CZ3-CG1 3.55Å; I434-V470 HydrophobicContact CG2-CB 4.29Å; I434-V470 HydrophobicContact CG2-CG1 4.31Å; I434-V470 HydrophobicContact CG2-CG2 4.36Å; L467-V470 WeakPolarHBondContact O-CB 3.25Å; L467-V470 WeakPolarHBondContact O-CG2 3.49Å; L467-V470 PolarHBondContact O-N 2.71Å; R468-V470 PolarHBondContact O-N 3.33Å; V470-V472 VanDerWaalsContact C-N 3.28Å; V470-V472 PolarHBondContact O-N 2.95Å; V470-V473 PolarHBondContact O-N 3.28Å; V470-R474 WeakPolarHBondContact O-CG 3.47Å; V470-R474 PolarHBondContact O-N 3.47Å |
| 471 | R | 80.1 | Confident | 77 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.1 | -22.6 | 175 | -59.7 | 178.8 | 178.4 | 146.6 | -5.9 | 113.4 | D435 R468 L469 | D435-R471 VanDerWaalsContact CA-NH2 3.32Å; D435-R471 PolarHBondContact O-NH2 3.17Å; D435-R471 IonicContact OD1-CZ 2.77Å; D435-R471 IonicContact OD1-NE 3.82Å; D435-R471 PolarHBondContact OD1-NE 2.82Å; D435-R471 IonicContact OD1-NH2 3.78Å; D435-R471 PolarHBondContact OD1-NH2 2.89Å; R468-R471 WeakPolarHBondContact O-CB 3.44Å; R468-R471 PolarHBondContact O-N 3.38Å; R468-R471 VanDerWaalsContact O-N 3.09Å; L469-R471 PolarHBondContact O-N 3.14Å; L469-R471 VanDerWaalsContact O-N 3.13Å |
| 472 | V | 77.4 | Confident | 76.8 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 15% | 0.152 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -75.4 | -42.5 | 171.9 | -169.6 | 0 | 0 | 0 | 0 | 110 | L342 V345 L469 V470 R474 K475 L476 | L342-V472 HydrophobicContact CD1-CB 4.39Å; L342-V472 HydrophobicContact CD1-CG1 3.95Å; L342-V472 HydrophobicContact CD1-CG2 3.66Å; V345-V472 HydrophobicContact CB-CG2 4.36Å; V345-V472 HydrophobicContact CG1-CG2 3.67Å; L469-V472 HydrophobicContact CD2-CG2 4.17Å; L469-V472 WeakPolarHBondContact O-CB 3.28Å; L469-V472 PolarHBondContact O-N 3.33Å; V470-V472 VanDerWaalsContact C-N 3.28Å; V470-V472 PolarHBondContact O-N 2.95Å; V472-R474 VanDerWaalsContact C-N 3.3Å; V472-R474 PolarHBondContact O-N 3.41Å; V472-K475 CarbonylContact O-C 3.28Å; V472-K475 WeakPolarHBondContact O-CA 3.31Å; V472-K475 PolarHBondContact O-N 2.82Å; V472-L476 PolarHBondContact O-N 3.47Å |
| 473 | V | 76.9 | Confident | 76.6 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57.5 | -43.3 | 177.2 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | L469 V470 K475 L476 | L469-V473 PolarHBondContact O-N 3.37Å; V470-V473 PolarHBondContact O-N 3.28Å; V473-K475 PolarHBondContact O-N 2.94Å; V473-L476 VanDerWaalsContact O-CB 3.31Å; V473-L476 WeakPolarHBondContact O-CB 3.26Å; V473-L476 PolarHBondContact O-N 2.93Å; V473-L476 VanDerWaalsContact O-N 3.07Å |
| 474 | R | 74.3 | Confident | 76.5 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 25% | 0.253 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.5 | -14.8 | 173.8 | -62.5 | 179.2 | -147.8 | 158.7 | 6.7 | 115 | W431 D435 V470 V472 | W431-R474 HydrophobicContact CD2-CG 4.24Å; W431-R474 HydrophobicContact CE3-CG 4.42Å; W431-R474 HydrophobicContact CH2-CG 3.91Å; W431-R474 HydrophobicContact CZ2-CG 3.71Å; W431-R474 HydrophobicContact CZ3-CG 4.27Å; D435-R474 VanDerWaalsContact CG-NH1 3.3Å; D435-R474 IonicContact OD1-CZ 3.44Å; D435-R474 IonicContact OD1-NH1 3.35Å; D435-R474 PolarHBondContact OD1-NH1 3.37Å; D435-R474 IonicContact OD1-NH2 3.82Å; D435-R474 PolarHBondContact OD1-NH2 3.13Å; D435-R474 IonicContact OD2-CZ 2.7Å; D435-R474 IonicContact OD2-NH1 2.73Å; D435-R474 PolarHBondContact OD2-NH1 2.82Å; D435-R474 IonicContact OD2-NH2 3.56Å; D435-R474 PolarHBondContact OD2-NH2 3.02Å; V470-R474 WeakPolarHBondContact O-CG 3.47Å; V470-R474 PolarHBondContact O-N 3.47Å; V472-R474 VanDerWaalsContact C-N 3.3Å; V472-R474 PolarHBondContact O-N 3.41Å |
| 475 | K | 70.6 | Confident | 76.5 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -111.1 | -7.2 | 179.1 | -66.2 | 172.9 | 178 | 177.1 | 0 | 112.3 | D338 V472 V473 D477 R478 Y479 | D338-K475 VanDerWaalsContact CA-NZ 3.3Å; D338-K475 VanDerWaalsContact CG-CE 3.44Å; D338-K475 PolarHBondContact O-NZ 2.97Å; D338-K475 WeakPolarHBondContact OD1-CE 3.19Å; D338-K475 IonicContact OD1-NZ 3.62Å; D338-K475 PolarHBondContact OD1-NZ 2.87Å; V472-K475 CarbonylContact O-C 3.28Å; V472-K475 WeakPolarHBondContact O-CA 3.31Å; V472-K475 PolarHBondContact O-N 2.82Å; V473-K475 PolarHBondContact O-N 2.94Å; K475-D477 VanDerWaalsContact C-N 3.27Å; K475-D477 PolarHBondContact O-N 2.97Å; K475-R478 WeakPolarHBondContact O-CB 3.36Å; K475-R478 PolarHBondContact O-N 2.81Å; K475-Y479 HydrophobicContact CB-CD2 4.21Å; K475-Y479 HydrophobicContact CB-CE2 3.64Å; K475-Y479 WeakPolarHBondContact O-CD2 3.39Å; K475-Y479 PolarHBondContact O-N 3.13Å |
| 476 | L | 73.8 | Confident | 76.3 | Confident | 67 Ų | 67 | 53.7 Ų | 53.7 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.4 | -40.4 | -174.7 | -175.1 | 59.6 | 0 | 0 | 0 | 111.4 | V472 V473 R478 Y479 S480 L489 | V472-L476 PolarHBondContact O-N 3.47Å; V473-L476 VanDerWaalsContact O-CB 3.31Å; V473-L476 WeakPolarHBondContact O-CB 3.26Å; V473-L476 PolarHBondContact O-N 2.93Å; V473-L476 VanDerWaalsContact O-N 3.07Å; L476-R478 PolarHBondContact O-N 3.16Å; L476-Y479 CarbonylContact O-C 3.52Å; L476-Y479 PolarHBondContact O-N 2.92Å; L476-S480 WeakPolarHBondContact O-CB 3.29Å; L476-S480 PolarHBondContact O-N 3.41Å; L476-S480 PolarHBondContact O-OG 2.7Å; L476-L489 HydrophobicContact CD1-CD1 3.72Å; L476-L489 HydrophobicContact CD1-CD2 3.82Å; L476-L489 HydrophobicContact CD1-CG 4.45Å |
| 477 | D | 70.2 | Confident | 76.3 | Confident | 122 Ų | 122 | 54.2 Ų | 54.2 | 65% | 0.652 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -56.6 | -33.3 | 175.2 | -57.2 | -17.4 | 0 | 0 | 0 | 113.2 | K475 S480 | K475-D477 VanDerWaalsContact C-N 3.27Å; K475-D477 PolarHBondContact O-N 2.97Å; D477-S480 WeakPolarHBondContact CA-OG 3.41Å; D477-S480 PolarHBondContact O-OG 2.78Å |
| 478 | R | 69.6 | Low | 76.3 | Confident | 71 Ų | 71 | 56.8 Ų | 56.8 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75.9 | -26.9 | 177.2 | -167.5 | -171.9 | -64.9 | 169.7 | 1.4 | 112 | I3 D338 K475 L476 | I3-R478 HydrophobicContact CG1-CG 4.38Å; D338-R478 IonicContact OD2-CZ 2.87Å; D338-R478 IonicContact OD2-NH1 3.98Å; D338-R478 PolarHBondContact OD2-NH1 2.98Å; D338-R478 IonicContact OD2-NH2 2.93Å; D338-R478 PolarHBondContact OD2-NH2 2.98Å; K475-R478 WeakPolarHBondContact O-CB 3.36Å; K475-R478 PolarHBondContact O-N 2.81Å; L476-R478 PolarHBondContact O-N 3.16Å |
| 479 | Y | 71.7 | Confident | 76.3 | Confident | 22 Ų | 22 | 59 Ų | 59 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -90.3 | -30.5 | 179.2 | -59.8 | -54.4 | 0 | 0 | 0 | 112.2 | W339 L342 K475 L476 E481 Y482 | W339-Y479 HydrophobicContact CH2-CD1 4.24Å; W339-Y479 AromaticContact CH2-CE1 3.47Å; W339-Y479 HydrophobicContact CH2-CE1 3.47Å; W339-Y479 VanDerWaalsContact CH2-CE1 3.47Å; W339-Y479 AromaticContact CZ2-CE1 3.67Å; W339-Y479 HydrophobicContact CZ2-CE1 3.67Å; W339-Y479 HydrophobicContact CZ3-CE1 4.02Å; L342-Y479 HydrophobicContact CD2-CE2 4.27Å; K475-Y479 HydrophobicContact CB-CD2 4.21Å; K475-Y479 HydrophobicContact CB-CE2 3.64Å; K475-Y479 WeakPolarHBondContact O-CD2 3.39Å; K475-Y479 PolarHBondContact O-N 3.13Å; L476-Y479 CarbonylContact O-C 3.52Å; L476-Y479 PolarHBondContact O-N 2.92Å; Y479-E481 VanDerWaalsContact C-N 3.29Å; Y479-E481 PolarHBondContact O-N 3.02Å; Y479-Y482 PolarHBondContact O-N 2.92Å; Y479-Y482 VanDerWaalsContact O-N 3.16Å |
| 480 | S | 70.7 | Confident | 76.3 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.1 | -23.9 | -175.5 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | L476 D477 Y482 | L476-S480 WeakPolarHBondContact O-CB 3.29Å; L476-S480 PolarHBondContact O-N 3.41Å; L476-S480 PolarHBondContact O-OG 2.7Å; D477-S480 WeakPolarHBondContact CA-OG 3.41Å; D477-S480 PolarHBondContact O-OG 2.78Å; S480-Y482 PolarHBondContact O-N 3.49Å |
| 481 | E | 70.2 | Confident | 76.5 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.2 | 171.4 | -63.8 | 176.6 | 165.8 | 0 | 0 | 112.9 | M1 Y479 | M1-E481 WeakPolarHBondContact CA-OE2 3.27Å; M1-E481 PolarHBondContact N-OE2 3.42Å; Y479-E481 VanDerWaalsContact C-N 3.29Å; Y479-E481 PolarHBondContact O-N 3.02Å |
| 482 | Y | 72.6 | Confident | 76.9 | Confident | 138 Ų | 138 | 62.6 Ų | 62.6 | 54% | 0.541 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -103.8 | 101.2 | -177.8 | -64 | -89.9 | 0 | 0 | 0 | 110.5 | Y479 S480 A484 A485 V486 | Y479-Y482 PolarHBondContact O-N 2.92Å; Y479-Y482 VanDerWaalsContact O-N 3.16Å; S480-Y482 PolarHBondContact O-N 3.49Å; Y482-A484 VanDerWaalsContact C-N 3.28Å; Y482-A484 PolarHBondContact O-N 2.99Å; Y482-A484 VanDerWaalsContact O-N 3.13Å; Y482-A485 WeakPolarHBondContact O-CA 3.25Å; Y482-A485 WeakPolarHBondContact O-CB 3.38Å; Y482-A485 PolarHBondContact O-N 3.06Å; Y482-V486 PolarHBondContact O-N 2.87Å; Y482-V486 VanDerWaalsContact O-N 3.13Å |
| 483 | G | 73.3 | Confident | 77.3 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.1 | -37.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A485 V486 L487 I599 | G483-A485 VanDerWaalsContact C-N 3.34Å; G483-A485 PolarHBondContact O-N 3.06Å; G483-V486 WeakPolarHBondContact O-CB 3.47Å; G483-V486 PolarHBondContact O-N 3.45Å; G483-L487 PolarHBondContact O-N 3.21Å; G483-I599 WeakPolarHBondContact O-CD1 3.31Å |
| 484 | A | 76.3 | Confident | 78 | Confident | 82 Ų | 82 | 60.4 Ų | 60.4 | 68% | 0.678 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.7 | -30.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y482 L487 L488 | Y482-A484 VanDerWaalsContact C-N 3.28Å; Y482-A484 PolarHBondContact O-N 2.99Å; Y482-A484 VanDerWaalsContact O-N 3.13Å; A484-L487 PolarHBondContact O-N 3.09Å; A484-L488 PolarHBondContact O-N 3.42Å; A484-L488 VanDerWaalsContact O-N 3.11Å |
| 485 | A | 79.7 | Confident | 78.9 | Confident | 35 Ų | 35 | 61 Ų | 61 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -73.7 | -31.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y482 G483 L488 L489 | Y482-A485 WeakPolarHBondContact O-CA 3.25Å; Y482-A485 WeakPolarHBondContact O-CB 3.38Å; Y482-A485 PolarHBondContact O-N 3.06Å; G483-A485 VanDerWaalsContact C-N 3.34Å; G483-A485 PolarHBondContact O-N 3.06Å; A485-L488 PolarHBondContact O-N 2.96Å; A485-L489 VanDerWaalsContact O-CB 3.25Å; A485-L489 WeakPolarHBondContact O-CB 3.15Å; A485-L489 PolarHBondContact O-N 3.38Å |
| 486 | V | 79.1 | Confident | 79.9 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 169.3 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | Y482 G483 L489 L490 | Y482-V486 PolarHBondContact O-N 2.87Å; Y482-V486 VanDerWaalsContact O-N 3.13Å; G483-V486 WeakPolarHBondContact O-CB 3.47Å; G483-V486 PolarHBondContact O-N 3.45Å; V486-L489 PolarHBondContact O-N 3.35Å; V486-L490 VanDerWaalsContact O-CB 3.3Å; V486-L490 WeakPolarHBondContact O-CB 3.39Å; V486-L490 PolarHBondContact O-N 3.27Å |
| 487 | L | 81.7 | Confident | 80.8 | Confident | 56 Ų | 56 | 60.6 Ų | 60.6 | 29% | 0.293 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 177.8 | -179.3 | 58.2 | 0 | 0 | 0 | 111.9 | G483 A484 L489 L490 M491 V596 I599 | G483-L487 PolarHBondContact O-N 3.21Å; A484-L487 PolarHBondContact O-N 3.09Å; L487-L489 PolarHBondContact O-N 3.5Å; L487-L490 PolarHBondContact O-N 3.23Å; L487-M491 HydrophobicContact CD1-CE 4.38Å; L487-M491 HydrophobicContact CD1-CG 4.24Å; L487-M491 WeakPolarHBondContact O-CB 3.43Å; L487-M491 VanDerWaalsContact O-CG 3.29Å; L487-M491 WeakPolarHBondContact O-CG 3.49Å; L487-M491 PolarHBondContact O-N 3.46Å; L487-V596 HydrophobicContact CD1-CG2 3.68Å; L487-I599 HydrophobicContact CB-CD1 3.92Å |
| 488 | L | 84.6 | Confident | 82 | Confident | 128 Ų | 128 | 54.8 Ų | 54.8 | 67% | 0.67 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.8 | -44.6 | 177.8 | -174.1 | 154.7 | 0 | 0 | 0 | 111.7 | A484 A485 M491 A492 | A484-L488 PolarHBondContact O-N 3.42Å; A484-L488 VanDerWaalsContact O-N 3.11Å; A485-L488 PolarHBondContact O-N 2.96Å; L488-M491 PolarHBondContact O-N 2.78Å; L488-A492 WeakPolarHBondContact O-CB 3.43Å; L488-A492 PolarHBondContact O-N 3.22Å |
| 489 | L | 83.2 | Confident | 83.2 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 177.6 | -177.3 | 142.6 | 0 | 0 | 0 | 111.5 | L476 A485 V486 L487 A492 T493 | L476-L489 HydrophobicContact CD1-CD1 3.72Å; L476-L489 HydrophobicContact CD1-CD2 3.82Å; L476-L489 HydrophobicContact CD1-CG 4.45Å; A485-L489 VanDerWaalsContact O-CB 3.25Å; A485-L489 WeakPolarHBondContact O-CB 3.15Å; A485-L489 PolarHBondContact O-N 3.38Å; V486-L489 PolarHBondContact O-N 3.35Å; L487-L489 PolarHBondContact O-N 3.5Å; L489-A492 PolarHBondContact O-N 2.97Å; L489-T493 HydrophobicContact CD2-CG2 4.31Å; L489-T493 WeakPolarHBondContact O-CG2 3.25Å; L489-T493 PolarHBondContact O-N 3.4Å; L489-T493 PolarHBondContact O-OG1 3.05Å |
| 490 | L | 83.9 | Confident | 84.3 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 177.6 | -169.6 | 63.8 | 0 | 0 | 0 | 111.4 | V486 L487 A492 T493 F494 I592 H595 | V486-L490 VanDerWaalsContact O-CB 3.3Å; V486-L490 WeakPolarHBondContact O-CB 3.39Å; V486-L490 PolarHBondContact O-N 3.27Å; L487-L490 PolarHBondContact O-N 3.23Å; L490-A492 VanDerWaalsContact C-N 3.33Å; L490-A492 PolarHBondContact O-N 2.79Å; L490-T493 WeakPolarHBondContact CA-OG1 3.46Å; L490-T493 PolarHBondContact O-N 3.07Å; L490-T493 PolarHBondContact O-OG1 3.15Å; L490-F494 PolarHBondContact O-N 2.9Å; L490-I592 HydrophobicContact CD2-CB 4.45Å; L490-I592 HydrophobicContact CD2-CG1 3.91Å; L490-I592 HydrophobicContact CG-CG1 3.96Å; L490-H595 HydrophobicContact CD2-CB 3.8Å |
| 491 | M | 86.4 | Confident | 85.5 | Confident | 76 Ų | 76 | 52.9 Ų | 52.9 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 171.8 | -69.2 | -64.3 | 99.7 | 0 | 0 | 111.9 | L487 L488 T493 F494 V495 I592 | L487-M491 HydrophobicContact CD1-CE 4.38Å; L487-M491 HydrophobicContact CD1-CG 4.24Å; L487-M491 WeakPolarHBondContact O-CB 3.43Å; L487-M491 VanDerWaalsContact O-CG 3.29Å; L487-M491 WeakPolarHBondContact O-CG 3.49Å; L487-M491 PolarHBondContact O-N 3.46Å; L488-M491 PolarHBondContact O-N 2.78Å; M491-T493 PolarHBondContact O-N 2.84Å; M491-F494 PolarHBondContact O-N 2.95Å; M491-V495 WeakPolarHBondContact O-CG2 3.46Å; M491-V495 PolarHBondContact O-N 3.47Å; M491-I592 HydrophobicContact CE-CB 4.42Å; M491-I592 HydrophobicContact CE-CD1 4.05Å; M491-I592 HydrophobicContact CE-CG1 3.99Å; M491-I592 HydrophobicContact CE-CG2 3.55Å |
| 492 | A | 87.9 | Confident | 86.7 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 45% | 0.446 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L488 L489 L490 V495 L496 | L488-A492 WeakPolarHBondContact O-CB 3.43Å; L488-A492 PolarHBondContact O-N 3.22Å; L489-A492 PolarHBondContact O-N 2.97Å; L490-A492 VanDerWaalsContact C-N 3.33Å; L490-A492 PolarHBondContact O-N 2.79Å; A492-V495 PolarHBondContact O-N 2.99Å; A492-L496 VanDerWaalsContact O-CB 3.3Å; A492-L496 WeakPolarHBondContact O-CB 3.45Å; A492-L496 PolarHBondContact O-N 3.15Å |
| 493 | T | 87 | Confident | 87.7 | Confident | 49 Ų | 49 | 43.5 Ų | 43.5 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -35.3 | 175.1 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | L489 L490 M491 L496 I497 | L489-T493 HydrophobicContact CD2-CG2 4.31Å; L489-T493 WeakPolarHBondContact O-CG2 3.25Å; L489-T493 PolarHBondContact O-N 3.4Å; L489-T493 PolarHBondContact O-OG1 3.05Å; L490-T493 WeakPolarHBondContact CA-OG1 3.46Å; L490-T493 PolarHBondContact O-N 3.07Å; L490-T493 PolarHBondContact O-OG1 3.15Å; M491-T493 PolarHBondContact O-N 2.84Å; T493-L496 PolarHBondContact O-N 3.2Å; T493-I497 WeakPolarHBondContact O-CB 3.49Å; T493-I497 WeakPolarHBondContact O-CG1 3.38Å; T493-I497 PolarHBondContact O-N 3.39Å |
| 494 | F | 90.8 | Very high | 88.7 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 173.8 | -179.2 | -102.6 | 0 | 0 | 0 | 111.7 | L490 M491 L496 I497 A498 F556 L559 T560 M588 I592 | L490-F494 PolarHBondContact O-N 2.9Å; M491-F494 PolarHBondContact O-N 2.95Å; F494-L496 VanDerWaalsContact C-N 3.33Å; F494-L496 PolarHBondContact O-N 3.14Å; F494-I497 PolarHBondContact O-N 2.68Å; F494-A498 WeakPolarHBondContact O-CB 3.44Å; F494-A498 PolarHBondContact O-N 2.97Å; F494-F556 HydrophobicContact CD1-CE1 4.06Å; F494-F556 AromaticContact CE1-CD1 3.82Å; F494-F556 HydrophobicContact CE1-CD1 3.82Å; F494-F556 AromaticContact CE1-CE1 3.67Å; F494-F556 HydrophobicContact CE1-CE1 3.67Å; F494-F556 HydrophobicContact CZ-CD1 4.33Å; F494-L559 HydrophobicContact CE2-CB 3.98Å; F494-L559 HydrophobicContact CZ-CB 4.02Å; F494-T560 HydrophobicContact CE1-CG2 4.34Å; F494-T560 HydrophobicContact CZ-CG2 3.84Å; F494-M588 HydrophobicContact CB-CE 4.38Å; F494-M588 HydrophobicContact CD2-CE 4.01Å; F494-I592 HydrophobicContact CB-CD1 4Å; F494-I592 HydrophobicContact CD2-CD1 3.55Å; F494-I592 HydrophobicContact CE2-CD1 4.23Å; F494-I592 HydrophobicContact CG-CD1 3.88Å |
| 495 | V | 92.7 | Very high | 89.6 | Confident | 79 Ų | 79 | 42.6 Ų | 42.6 | 48% | 0.479 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62 | -39.8 | 176 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | M491 A492 H499 F556 | M491-V495 WeakPolarHBondContact O-CG2 3.46Å; M491-V495 PolarHBondContact O-N 3.47Å; A492-V495 PolarHBondContact O-N 2.99Å; V495-H499 WeakPolarHBondContact O-CB 3.42Å; V495-H499 PolarHBondContact O-N 3.33Å; V495-F556 HydrophobicContact CB-CZ 4.48Å; V495-F556 HydrophobicContact CG1-CZ 4.37Å; V495-F556 HydrophobicContact CG2-CE1 4.5Å; V495-F556 HydrophobicContact CG2-CZ 4.23Å |
| 496 | L | 92.5 | Very high | 90.2 | Very high | 30 Ų | 30 | 41 Ų | 41 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 178.4 | -177.2 | 62.9 | 0 | 0 | 0 | 112.5 | A349 V350 L469 A492 T493 F494 H499 W500 | A349-L496 HydrophobicContact CB-CD1 3.85Å; A349-L496 HydrophobicContact CB-CD2 4.04Å; A349-L496 WeakPolarHBondContact O-CD1 3.48Å; V350-L496 HydrophobicContact CG2-CD1 3.96Å; L469-L496 HydrophobicContact CD1-CD2 4.38Å; L469-L496 HydrophobicContact CD2-CD2 4.44Å; A492-L496 VanDerWaalsContact O-CB 3.3Å; A492-L496 WeakPolarHBondContact O-CB 3.45Å; A492-L496 PolarHBondContact O-N 3.15Å; T493-L496 PolarHBondContact O-N 3.2Å; F494-L496 VanDerWaalsContact C-N 3.33Å; F494-L496 PolarHBondContact O-N 3.14Å; L496-H499 WeakPolarHBondContact O-CB 3.36Å; L496-H499 PolarHBondContact O-N 2.95Å; L496-W500 HydrophobicContact CD1-CZ2 4.38Å; L496-W500 HydrophobicContact CD2-CZ2 4.03Å; L496-W500 HydrophobicContact CG-CD2 4.46Å; L496-W500 HydrophobicContact CG-CZ2 4.14Å; L496-W500 PolarHBondContact O-N 3.01Å |
| 497 | I | 92.9 | Very high | 90.7 | Very high | 50 Ų | 50 | 41 Ų | 41 | 26% | 0.256 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.5 | -39.3 | 178.7 | -71.6 | 163.5 | 0 | 0 | 0 | 110.9 | T493 F494 H499 W500 L501 V584 M588 | T493-I497 WeakPolarHBondContact O-CB 3.49Å; T493-I497 WeakPolarHBondContact O-CG1 3.38Å; T493-I497 PolarHBondContact O-N 3.39Å; F494-I497 PolarHBondContact O-N 2.68Å; I497-H499 VanDerWaalsContact C-N 3.31Å; I497-H499 PolarHBondContact O-N 3.4Å; I497-W500 PolarHBondContact O-N 3.45Å; I497-L501 HydrophobicContact CG2-CD1 3.88Å; I497-L501 HydrophobicContact CG2-CG 4.4Å; I497-L501 WeakPolarHBondContact O-CB 3.34Å; I497-L501 WeakPolarHBondContact O-CG 3.37Å; I497-L501 PolarHBondContact O-N 3.38Å; I497-V584 HydrophobicContact CG2-CG1 4.5Å; I497-M588 HydrophobicContact CB-CE 4.01Å; I497-M588 HydrophobicContact CB-SD 4.27Å; I497-M588 HydrophobicContact CD1-CE 3.43Å; I497-M588 VanDerWaalsContact CD1-CE 3.43Å; I497-M588 HydrophobicContact CD1-SD 4.01Å; I497-M588 HydrophobicContact CG1-CE 4.29Å; I497-M588 HydrophobicContact CG2-CE 4.15Å; I497-M588 HydrophobicContact CG2-SD 3.73Å |
| 498 | A | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.6 | -46.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F494 W500 L501 A502 T555 F556 L559 | F494-A498 WeakPolarHBondContact O-CB 3.44Å; F494-A498 PolarHBondContact O-N 2.97Å; A498-W500 PolarHBondContact O-N 3.33Å; A498-L501 PolarHBondContact O-N 3.5Å; A498-A502 WeakPolarHBondContact O-CB 3.24Å; A498-A502 PolarHBondContact O-N 3.28Å; A498-T555 PolarHBondContact O-OG1 2.98Å; A498-F556 HydrophobicContact CB-CD1 3.85Å; A498-F556 HydrophobicContact CB-CD2 4.35Å; A498-F556 HydrophobicContact CB-CE1 3.54Å; A498-F556 HydrophobicContact CB-CE2 4.08Å; A498-F556 HydrophobicContact CB-CG 4.24Å; A498-F556 HydrophobicContact CB-CZ 3.67Å; A498-L559 HydrophobicContact CB-CD1 3.63Å |
| 499 | H | 95.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 176.1 | 170.5 | 74.7 | 0 | 0 | 0 | 113.4 | V350 V495 L496 I497 A502 C503 Y548 L552 | V350-H499 PolarHBondContact O-NE2 3.45Å; V495-H499 WeakPolarHBondContact O-CB 3.42Å; V495-H499 PolarHBondContact O-N 3.33Å; L496-H499 WeakPolarHBondContact O-CB 3.36Å; L496-H499 PolarHBondContact O-N 2.95Å; I497-H499 VanDerWaalsContact C-N 3.31Å; I497-H499 PolarHBondContact O-N 3.4Å; H499-A502 WeakPolarHBondContact O-CB 3.28Å; H499-A502 PolarHBondContact O-N 3.28Å; H499-C503 PolarHBondContact O-N 2.84Å; H499-C503 VanDerWaalsContact O-N 3.09Å; H499-C503 PolarHBondContact O-SG 3.46Å; H499-Y548 AromaticContact CE1-CE2 3.84Å; H499-Y548 AromaticContact ND1-CE2 3.61Å; H499-Y548 AromaticContact ND1-CZ 3.7Å; H499-Y548 PolarHBondContact ND1-OH 3.08Å; H499-L552 HydrophobicContact CB-CD1 4.35Å |
| 500 | W | 94.7 | Very high | 91.7 | Very high | 76 Ų | 76 | 33.1 Ų | 33.1 | 29% | 0.288 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.8 | -45.9 | 175.7 | -70.7 | -3.3 | 0 | 0 | 0 | 112.4 | A349 L466 L469 L496 I497 A498 A502 C503 I504 | A349-W500 PolarHBondContact O-NE1 2.89Å; L466-W500 HydrophobicContact CD1-CZ2 4.47Å; L466-W500 HydrophobicContact CD2-CZ2 4.08Å; L469-W500 HydrophobicContact CD1-CH2 3.52Å; L469-W500 HydrophobicContact CD1-CZ2 3.49Å; L469-W500 VanDerWaalsContact CD1-CZ2 3.49Å; L496-W500 HydrophobicContact CD1-CZ2 4.38Å; L496-W500 HydrophobicContact CD2-CZ2 4.03Å; L496-W500 HydrophobicContact CG-CD2 4.46Å; L496-W500 HydrophobicContact CG-CZ2 4.14Å; L496-W500 PolarHBondContact O-N 3.01Å; I497-W500 PolarHBondContact O-N 3.45Å; A498-W500 PolarHBondContact O-N 3.33Å; W500-A502 VanDerWaalsContact C-N 3.28Å; W500-A502 PolarHBondContact O-N 2.97Å; W500-C503 WeakPolarHBondContact O-CB 3.44Å; W500-C503 PolarHBondContact O-N 2.87Å; W500-I504 WeakPolarHBondContact O-CG1 3.13Å; W500-I504 PolarHBondContact O-N 3Å |
| 501 | L | 95.3 | Very high | 91.7 | Very high | 25 Ų | 25 | 34.7 Ų | 34.7 | 13% | 0.131 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -37.1 | 176.2 | -68 | 169.8 | 0 | 0 | 0 | 111 | I497 A498 C503 I504 W505 T555 L559 F577 V581 | I497-L501 HydrophobicContact CG2-CD1 3.88Å; I497-L501 HydrophobicContact CG2-CG 4.4Å; I497-L501 WeakPolarHBondContact O-CB 3.34Å; I497-L501 WeakPolarHBondContact O-CG 3.37Å; I497-L501 PolarHBondContact O-N 3.38Å; A498-L501 PolarHBondContact O-N 3.5Å; L501-C503 VanDerWaalsContact C-N 3.34Å; L501-C503 PolarHBondContact O-N 3.25Å; L501-I504 HydrophobicContact CD2-CD1 4.48Å; L501-I504 PolarHBondContact O-N 2.89Å; L501-W505 WeakPolarHBondContact O-CB 3.46Å; L501-W505 PolarHBondContact O-N 3.42Å; L501-T555 HydrophobicContact CB-CG2 3.86Å; L501-L559 HydrophobicContact CD1-CD1 4.14Å; L501-L559 HydrophobicContact CD1-CD2 4.01Å; L501-L559 HydrophobicContact CD1-CG 4.42Å; L501-F577 HydrophobicContact CB-CZ 4.13Å; L501-F577 HydrophobicContact CD2-CE2 4Å; L501-F577 HydrophobicContact CD2-CZ 3.98Å; L501-F577 WeakPolarHBondContact O-CZ 3.26Å; L501-V581 HydrophobicContact CD1-CG1 4.43Å; L501-V581 HydrophobicContact CD1-CG2 4.21Å; L501-V581 HydrophobicContact CD2-CG2 4.11Å |
| 502 | A | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -38.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A498 H499 W500 Y506 A551 L552 T555 | A498-A502 WeakPolarHBondContact O-CB 3.24Å; A498-A502 PolarHBondContact O-N 3.28Å; H499-A502 WeakPolarHBondContact O-CB 3.28Å; H499-A502 PolarHBondContact O-N 3.28Å; W500-A502 VanDerWaalsContact C-N 3.28Å; W500-A502 PolarHBondContact O-N 2.97Å; A502-Y506 PolarHBondContact O-N 3.43Å; A502-Y506 VanDerWaalsContact O-N 3.09Å; A502-A551 HydrophobicContact CB-CB 4.2Å; A502-L552 HydrophobicContact CB-CB 4.17Å; A502-L552 HydrophobicContact CB-CD1 3.96Å; A502-T555 HydrophobicContact CB-CG2 4.37Å |
| 503 | C | 94.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.7 | -39.2 | 174.4 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | P353 A357 H499 W500 L501 A507 | P353-C503 HydrophobicContact CB-CB 4.13Å; A357-C503 HydrophobicContact CB-CB 3.86Å; A357-C503 WeakPolarHBondContact CB-O 3.02Å; H499-C503 PolarHBondContact O-N 2.84Å; H499-C503 VanDerWaalsContact O-N 3.09Å; H499-C503 PolarHBondContact O-SG 3.46Å; W500-C503 WeakPolarHBondContact O-CB 3.44Å; W500-C503 PolarHBondContact O-N 2.87Å; L501-C503 VanDerWaalsContact C-N 3.34Å; L501-C503 PolarHBondContact O-N 3.25Å; C503-A507 PolarHBondContact O-N 3.21Å |
| 504 | I | 93.2 | Very high | 91 | Very high | 83 Ų | 83 | 36.9 Ų | 36.9 | 43% | 0.426 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68 | -42.7 | 175.8 | -63.2 | 163.5 | 0 | 0 | 0 | 110.9 | W500 L501 Y506 A507 I508 F577 | W500-I504 WeakPolarHBondContact O-CG1 3.13Å; W500-I504 PolarHBondContact O-N 3Å; L501-I504 HydrophobicContact CD2-CD1 4.48Å; L501-I504 PolarHBondContact O-N 2.89Å; I504-Y506 VanDerWaalsContact C-N 3.31Å; I504-Y506 PolarHBondContact O-N 3.03Å; I504-A507 WeakPolarHBondContact O-CB 3.37Å; I504-A507 PolarHBondContact O-N 2.92Å; I504-A507 VanDerWaalsContact O-N 3.07Å; I504-I508 HydrophobicContact CG2-CD1 4.04Å; I504-I508 HydrophobicContact CG2-CG1 4.46Å; I504-I508 WeakPolarHBondContact O-CG1 3.31Å; I504-I508 PolarHBondContact O-N 3.33Å; I504-F577 HydrophobicContact CB-CE2 3.93Å; I504-F577 HydrophobicContact CB-CZ 4.29Å; I504-F577 HydrophobicContact CG2-CD2 3.97Å; I504-F577 HydrophobicContact CG2-CE2 3.45Å; I504-F577 VanDerWaalsContact CG2-CE2 3.45Å; I504-F577 HydrophobicContact CG2-CZ 4.22Å |
| 505 | W | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -39.9 | 176.2 | -178.4 | -114 | 0 | 0 | 0 | 112.8 | L501 G509 W522 F554 V567 P569 E574 F577 | L501-W505 WeakPolarHBondContact O-CB 3.46Å; L501-W505 PolarHBondContact O-N 3.42Å; W505-G509 PolarHBondContact O-N 3.21Å; W505-G509 VanDerWaalsContact O-N 3.16Å; W505-W522 AromaticContact CD1-CE2 3.48Å; W505-W522 VanDerWaalsContact CD1-CE2 3.48Å; W505-W522 AromaticContact CD1-CH2 3.97Å; W505-W522 AromaticContact CD1-CZ2 3.41Å; W505-W522 VanDerWaalsContact CD1-CZ2 3.41Å; W505-W522 AromaticContact CD1-NE1 3.74Å; W505-W522 AromaticContact CD2-NE1 3.8Å; W505-W522 AromaticContact CE2-CD1 3.46Å; W505-W522 VanDerWaalsContact CE2-CD1 3.46Å; W505-W522 AromaticContact CE2-CD2 3.81Å; W505-W522 AromaticContact CE2-CE2 3.73Å; W505-W522 AromaticContact CE2-CG 3.67Å; W505-W522 AromaticContact CE2-NE1 3.48Å; W505-W522 HydrophobicContact CG-CZ2 4.27Å; W505-W522 AromaticContact CG-NE1 3.99Å; W505-W522 HydrophobicContact CH2-CB 4.46Å; W505-W522 HydrophobicContact CH2-CG 4.35Å; W505-W522 HydrophobicContact CZ2-CB 3.74Å; W505-W522 AromaticContact CZ2-CD1 3.44Å; W505-W522 VanDerWaalsContact CZ2-CD1 3.44Å; W505-W522 HydrophobicContact CZ2-CD2 4.08Å; W505-W522 AromaticContact CZ2-CG 3.49Å; W505-W522 HydrophobicContact CZ2-CG 3.49Å; W505-W522 VanDerWaalsContact CZ2-CG 3.49Å; W505-W522 AromaticContact CZ2-NE1 3.98Å; W505-W522 AromaticContact NE1-CD1 3.75Å; W505-W522 AromaticContact NE1-CD2 3.32Å; W505-W522 VanDerWaalsContact NE1-CD2 3.32Å; W505-W522 AromaticContact NE1-CE2 3.17Å; W505-W522 AromaticContact NE1-CE3 3.79Å; W505-W522 AromaticContact NE1-CG 3.72Å; W505-W522 AromaticContact NE1-CH2 3.99Å; W505-W522 AromaticContact NE1-CZ2 3.54Å; W505-W522 AromaticContact NE1-NE1 3.42Å; W505-W522 PolarHBondContact O-NE1 2.87Å; W505-W522 VanDerWaalsContact O-NE1 3.08Å; W505-F554 AromaticContact CD1-CD1 3.87Å; W505-F554 AromaticContact CD2-CD1 3.63Å; W505-F554 HydrophobicContact CD2-CD1 3.63Å; W505-F554 AromaticContact CD2-CE1 3.6Å; W505-F554 HydrophobicContact CD2-CE1 3.6Å; W505-F554 AromaticContact CE2-CD1 3.39Å; W505-F554 AromaticContact CE2-CE1 3.54Å; W505-F554 AromaticContact CE2-CG 3.99Å; W505-F554 HydrophobicContact CE3-CD1 4.24Å; W505-F554 AromaticContact CE3-CE1 3.72Å; W505-F554 HydrophobicContact CE3-CE1 3.72Å; W505-F554 AromaticContact CG-CD1 3.91Å; W505-F554 HydrophobicContact CG-CD1 3.91Å; W505-F554 HydrophobicContact CG-CE1 4.29Å; W505-F554 HydrophobicContact CH2-CD1 4.36Å; W505-F554 AromaticContact CH2-CE1 3.69Å; W505-F554 HydrophobicContact CH2-CE1 3.69Å; W505-F554 HydrophobicContact CH2-CE2 4.43Å; W505-F554 AromaticContact CH2-CZ 3.74Å; W505-F554 HydrophobicContact CH2-CZ 3.74Å; W505-F554 AromaticContact CZ2-CD1 3.81Å; W505-F554 HydrophobicContact CZ2-CD1 3.81Å; W505-F554 HydrophobicContact CZ2-CD2 4.4Å; W505-F554 AromaticContact CZ2-CE1 3.61Å; W505-F554 HydrophobicContact CZ2-CE1 3.61Å; W505-F554 HydrophobicContact CZ2-CE2 4.23Å; W505-F554 HydrophobicContact CZ2-CG 4.21Å; W505-F554 AromaticContact CZ2-CZ 3.84Å; W505-F554 HydrophobicContact CZ2-CZ 3.84Å; W505-F554 AromaticContact CZ3-CE1 3.74Å; W505-F554 HydrophobicContact CZ3-CE1 3.74Å; W505-F554 HydrophobicContact CZ3-CZ 4.09Å; W505-F554 AromaticContact NE1-CD1 3.55Å; W505-F554 AromaticContact NE1-CG 3.91Å; W505-V567 HydrophobicContact CZ2-CG1 4.19Å; W505-P569 HydrophobicContact CH2-CB 4.04Å; W505-E574 HydrophobicContact CH2-CB 3.79Å; W505-E574 HydrophobicContact CH2-CG 3.83Å; W505-E574 HydrophobicContact CZ3-CB 3.74Å; W505-E574 HydrophobicContact CZ3-CG 3.83Å; W505-F577 HydrophobicContact CB-CE1 3.89Å; W505-F577 HydrophobicContact CB-CZ 4.22Å; W505-F577 HydrophobicContact CD2-CD1 4.35Å; W505-F577 HydrophobicContact CD2-CE1 4.22Å; W505-F577 AromaticContact CE3-CD1 3.34Å; W505-F577 HydrophobicContact CE3-CD1 3.34Å; W505-F577 AromaticContact CE3-CE1 3.62Å; W505-F577 HydrophobicContact CE3-CE1 3.62Å; W505-F577 HydrophobicContact CE3-CG 4.3Å; W505-F577 HydrophobicContact CG-CE1 4.38Å; W505-F577 AromaticContact CZ3-CD1 3.82Å; W505-F577 HydrophobicContact CZ3-CD1 3.82Å; W505-F577 HydrophobicContact CZ3-CE1 4.46Å |
| 506 | Y | 93.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.9 | -38.3 | 171.6 | -176.4 | -106.3 | 0 | 0 | 0 | 113.2 | A357 F358 A502 I504 I508 G509 N510 W522 L523 K547 | A357-Y506 HydrophobicContact CB-CD1 4.48Å; A357-Y506 WeakPolarHBondContact O-CD1 3.42Å; A357-Y506 WeakPolarHBondContact O-CE1 3.35Å; F358-Y506 AromaticContact CD1-CD1 3.51Å; F358-Y506 HydrophobicContact CD1-CD1 3.51Å; F358-Y506 HydrophobicContact CD1-CD2 4.32Å; F358-Y506 AromaticContact CD1-CE1 3.57Å; F358-Y506 HydrophobicContact CD1-CE1 3.57Å; F358-Y506 HydrophobicContact CD1-CE2 4.38Å; F358-Y506 AromaticContact CD1-CG 3.9Å; F358-Y506 HydrophobicContact CD1-CG 3.9Å; F358-Y506 HydrophobicContact CD2-CD1 4.28Å; F358-Y506 AromaticContact CE1-CD1 3.44Å; F358-Y506 HydrophobicContact CE1-CD1 3.44Å; F358-Y506 VanDerWaalsContact CE1-CD1 3.44Å; F358-Y506 AromaticContact CE1-CD2 3.69Å; F358-Y506 HydrophobicContact CE1-CD2 3.69Å; F358-Y506 AromaticContact CE1-CE1 3.9Å; F358-Y506 HydrophobicContact CE1-CE1 3.9Å; F358-Y506 HydrophobicContact CE1-CE2 4.14Å; F358-Y506 AromaticContact CE1-CG 3.31Å; F358-Y506 HydrophobicContact CE1-CG 3.31Å; F358-Y506 HydrophobicContact CE2-CD1 4.22Å; F358-Y506 HydrophobicContact CE2-CG 4.36Å; F358-Y506 AromaticContact CG-CD1 3.94Å; F358-Y506 HydrophobicContact CG-CD1 3.94Å; F358-Y506 HydrophobicContact CG-CE1 4.1Å; F358-Y506 VanDerWaalsContact CZ-CB 3.47Å; F358-Y506 AromaticContact CZ-CD1 3.8Å; F358-Y506 HydrophobicContact CZ-CD1 3.8Å; F358-Y506 HydrophobicContact CZ-CD2 4.3Å; F358-Y506 AromaticContact CZ-CG 3.58Å; F358-Y506 HydrophobicContact CZ-CG 3.58Å; A502-Y506 PolarHBondContact O-N 3.43Å; A502-Y506 VanDerWaalsContact O-N 3.09Å; I504-Y506 VanDerWaalsContact C-N 3.31Å; I504-Y506 PolarHBondContact O-N 3.03Å; Y506-I508 PolarHBondContact O-N 3.42Å; Y506-G509 PolarHBondContact O-N 2.88Å; Y506-N510 HydrophobicContact CE1-CB 4.47Å; Y506-N510 VanDerWaalsContact O-CB 3.23Å; Y506-N510 WeakPolarHBondContact O-CB 3.49Å; Y506-N510 PolarHBondContact O-N 2.65Å; Y506-W522 HydrophobicContact CD2-CZ2 4.24Å; Y506-L523 HydrophobicContact CE2-CD1 4.34Å; Y506-L523 HydrophobicContact CE2-CD2 4.28Å; Y506-K547 HydrophobicContact CD2-CB 4.22Å; Y506-K547 HydrophobicContact CE2-CB 3.92Å; Y506-K547 HydrophobicContact CE2-CD 3.68Å; Y506-K547 HydrophobicContact CE2-CG 4Å; Y506-K547 PolarHBondContact OH-NZ 2.83Å |
| 507 | A | 90 | Very high | 88.2 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.6 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C503 I504 N510 V511 | C503-A507 PolarHBondContact O-N 3.21Å; I504-A507 WeakPolarHBondContact O-CB 3.37Å; I504-A507 PolarHBondContact O-N 2.92Å; I504-A507 VanDerWaalsContact O-N 3.07Å; A507-N510 PolarHBondContact O-N 3.37Å; A507-V511 WeakPolarHBondContact O-CB 3.5Å; A507-V511 VanDerWaalsContact O-CG2 3.29Å; A507-V511 WeakPolarHBondContact O-CG2 3.4Å; A507-V511 PolarHBondContact O-N 3.17Å |
| 508 | I | 92 | Very high | 87.2 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.5 | -58.1 | 175 | -67.2 | 165.6 | 0 | 0 | 0 | 110.4 | I504 Y506 N510 V511 E512 S573 E574 F577 | I504-I508 HydrophobicContact CG2-CD1 4.04Å; I504-I508 HydrophobicContact CG2-CG1 4.46Å; I504-I508 WeakPolarHBondContact O-CG1 3.31Å; I504-I508 PolarHBondContact O-N 3.33Å; Y506-I508 PolarHBondContact O-N 3.42Å; I508-N510 PolarHBondContact O-N 2.94Å; I508-V511 PolarHBondContact O-N 3.47Å; I508-E512 HydrophobicContact CG2-CG 4.47Å; I508-E512 PolarHBondContact O-N 3.46Å; I508-S573 WeakPolarHBondContact CG2-OG 3.38Å; I508-E574 HydrophobicContact CG2-CG 4.24Å; I508-F577 HydrophobicContact CD1-CB 3.76Å; I508-F577 HydrophobicContact CD1-CD1 4.35Å; I508-F577 HydrophobicContact CD1-CD2 3.66Å; I508-F577 HydrophobicContact CD1-CE2 4.35Å; I508-F577 HydrophobicContact CD1-CG 3.65Å |
| 509 | G | 90.3 | Very high | 86.3 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -29.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | W505 Y506 R513 | W505-G509 PolarHBondContact O-N 3.21Å; W505-G509 VanDerWaalsContact O-N 3.16Å; Y506-G509 PolarHBondContact O-N 2.88Å; G509-R513 WeakPolarHBondContact O-CB 3.17Å; G509-R513 PolarHBondContact O-N 3.35Å |
| 510 | N | 86.3 | Confident | 85.8 | Confident | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.15 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -78.4 | -31.3 | 174.6 | 177.8 | 61.6 | 0 | 0 | 0 | 113.3 | Y506 A507 I508 Q514 | Y506-N510 HydrophobicContact CE1-CB 4.47Å; Y506-N510 VanDerWaalsContact O-CB 3.23Å; Y506-N510 WeakPolarHBondContact O-CB 3.49Å; Y506-N510 PolarHBondContact O-N 2.65Å; A507-N510 PolarHBondContact O-N 3.37Å; I508-N510 PolarHBondContact O-N 2.94Å; N510-Q514 PolarHBondContact ND2-NE2 3.03Å; N510-Q514 WeakPolarHBondContact O-CG 3.33Å; N510-Q514 PolarHBondContact O-NE2 2.98Å; N510-Q514 PolarHBondContact OD1-NE2 3.08Å |
| 511 | V | 85.5 | Confident | 85.5 | Confident | 68 Ų | 68 | 59 Ų | 59 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -76.3 | -49.5 | 176.5 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | A507 I508 R513 Q514 Q515 | A507-V511 WeakPolarHBondContact O-CB 3.5Å; A507-V511 VanDerWaalsContact O-CG2 3.29Å; A507-V511 WeakPolarHBondContact O-CG2 3.4Å; A507-V511 PolarHBondContact O-N 3.17Å; I508-V511 PolarHBondContact O-N 3.47Å; V511-R513 VanDerWaalsContact C-N 3.25Å; V511-R513 PolarHBondContact O-N 2.85Å; V511-Q514 WeakPolarHBondContact O-CB 3.34Å; V511-Q514 PolarHBondContact O-N 2.94Å; V511-Q515 HydrophobicContact CG1-CG 4.33Å; V511-Q515 PolarHBondContact O-N 3.36Å |
| 512 | E | 86.7 | Confident | 85.4 | Confident | 25 Ų | 25 | 58 Ų | 58 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 178.4 | -71.6 | -162.9 | 141.4 | 0 | 0 | 111.4 | I508 Q514 Q515 F516 T571 S573 | I508-E512 HydrophobicContact CG2-CG 4.47Å; I508-E512 PolarHBondContact O-N 3.46Å; E512-Q514 PolarHBondContact O-N 3.4Å; E512-Q515 PolarHBondContact O-N 3.18Å; E512-Q515 VanDerWaalsContact O-N 3.16Å; E512-F516 HydrophobicContact CB-CD2 3.99Å; E512-F516 HydrophobicContact CB-CE2 4.33Å; E512-F516 HydrophobicContact CG-CD2 4.31Å; E512-F516 HydrophobicContact CG-CE2 4.14Å; E512-F516 WeakPolarHBondContact O-CD2 3.22Å; E512-F516 PolarHBondContact O-N 2.95Å; E512-T571 VanDerWaalsContact CD-OG1 3.25Å; E512-T571 PolarHBondContact OE1-OG1 2.89Å; E512-T571 VanDerWaalsContact OE1-OG1 3.11Å; E512-T571 VanDerWaalsContact OE2-CB 3.29Å; E512-T571 WeakPolarHBondContact OE2-CB 3.4Å; E512-T571 WeakPolarHBondContact OE2-CG2 3.38Å; E512-T571 PolarHBondContact OE2-OG1 2.82Å; E512-S573 WeakPolarHBondContact OE1-CB 3.31Å; E512-S573 PolarHBondContact OE1-OG 3.49Å; E512-S573 PolarHBondContact OE2-OG 2.92Å |
| 513 | R | 82.7 | Confident | 85.1 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.4 | -18.1 | 176.8 | -167.2 | 179.9 | 176.4 | -67.8 | -22.3 | 114 | G509 V511 R519 D524 F534 | G509-R513 WeakPolarHBondContact O-CB 3.17Å; G509-R513 PolarHBondContact O-N 3.35Å; V511-R513 VanDerWaalsContact C-N 3.25Å; V511-R513 PolarHBondContact O-N 2.85Å; R513-R519 VanDerWaalsContact CG-NH1 3.3Å; R513-R519 PolarHBondContact O-NH1 3.18Å; R513-D524 WeakPolarHBondContact CD-OD1 3.4Å; R513-D524 IonicContact CZ-OD1 2.71Å; R513-D524 IonicContact NE-OD1 3.72Å; R513-D524 PolarHBondContact NE-OD1 3.2Å; R513-D524 IonicContact NE-OD2 2.77Å; R513-D524 IonicContact NH2-OD1 3.26Å; R513-F534 VanDerWaalsContact CZ-CG 3.49Å; R513-F534 VanDerWaalsContact NE-CE2 3.27Å |
| 514 | Q | 76.6 | Confident | 84.8 | Confident | 139 Ų | 139 | 58.8 Ų | 58.8 | 65% | 0.65 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -91.4 | -30.6 | 171.9 | -71.6 | 174.9 | 42.7 | 0 | 0 | 112.8 | N510 V511 E512 | N510-Q514 PolarHBondContact ND2-NE2 3.03Å; N510-Q514 WeakPolarHBondContact O-CG 3.33Å; N510-Q514 PolarHBondContact O-NE2 2.98Å; N510-Q514 PolarHBondContact OD1-NE2 3.08Å; V511-Q514 WeakPolarHBondContact O-CB 3.34Å; V511-Q514 PolarHBondContact O-N 2.94Å; E512-Q514 PolarHBondContact O-N 3.4Å |
| 515 | Q | 76.5 | Confident | 84.5 | Confident | 135 Ų | 135 | 57.4 Ų | 57.4 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -85 | -37.5 | -178.5 | -70.2 | 178.2 | -31.8 | 0 | 0 | 113.3 | V511 E512 | V511-Q515 HydrophobicContact CG1-CG 4.33Å; V511-Q515 PolarHBondContact O-N 3.36Å; E512-Q515 PolarHBondContact O-N 3.18Å; E512-Q515 VanDerWaalsContact O-N 3.16Å |
| 516 | F | 73.7 | Confident | 84.3 | Confident | 114 Ų | 114 | 57.7 Ų | 57.7 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | trans | -105.8 | 135 | -174.6 | -59.3 | -69.8 | 0 | 0 | 0 | 112.2 | E512 V518 R519 | E512-F516 HydrophobicContact CB-CD2 3.99Å; E512-F516 HydrophobicContact CB-CE2 4.33Å; E512-F516 HydrophobicContact CG-CD2 4.31Å; E512-F516 HydrophobicContact CG-CE2 4.14Å; E512-F516 WeakPolarHBondContact O-CD2 3.22Å; E512-F516 PolarHBondContact O-N 2.95Å; F516-V518 PolarHBondContact O-N 3.29Å; F516-R519 PolarHBondContact O-NH1 3.08Å | ||
| 517 | N | 67.2 | Low | 84 | Confident | 152 Ų | 152 | 57.7 Ų | 57.7 | 81% | 0.813 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -72.4 | -19.8 | 171.7 | -72.1 | -30.2 | 0 | 0 | 0 | 112.7 | ||
| 518 | V | 72.1 | Confident | 83.9 | Confident | 97 Ų | 97 | 63 Ų | 63 | 59% | 0.588 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -85 | 119.9 | -176.1 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | F516 I520 | F516-V518 PolarHBondContact O-N 3.29Å; V518-I520 HydrophobicContact CG1-CB 4.5Å; V518-I520 HydrophobicContact CG1-CD1 4.25Å; V518-I520 HydrophobicContact CG1-CG1 4.03Å; V518-I520 HydrophobicContact CG1-CG2 3.84Å; V518-I520 PolarHBondContact O-N 3.11Å; V518-I520 VanDerWaalsContact O-N 3.16Å |
| 519 | R | 75.7 | Confident | 83.7 | Confident | 120 Ų | 120 | 66.1 Ų | 66.1 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | trans | -89.2 | 67.7 | -172.9 | -57.8 | -64.9 | 169.2 | -148.4 | -6.7 | 112.3 | R513 F516 D524 | R513-R519 VanDerWaalsContact CG-NH1 3.3Å; R513-R519 PolarHBondContact O-NH1 3.18Å; F516-R519 PolarHBondContact O-NH1 3.08Å; R519-D524 WeakPolarHBondContact CA-OD2 3.24Å; R519-D524 HydrophobicContact CB-CB 4.16Å; R519-D524 WeakPolarHBondContact CD-OD2 3.43Å | ||
| 520 | I | 85 | Confident | 83.6 | Confident | 99 Ų | 99 | 68.9 Ų | 68.9 | 51% | 0.508 | 34% | 0.337 | S | S | . | . | trans | -117 | -7.9 | -176.6 | 54.2 | 167.8 | 0 | 0 | 0 | 115 | V518 N570 T571 | V518-I520 HydrophobicContact CG1-CB 4.5Å; V518-I520 HydrophobicContact CG1-CD1 4.25Å; V518-I520 HydrophobicContact CG1-CG1 4.03Å; V518-I520 HydrophobicContact CG1-CG2 3.84Å; V518-I520 PolarHBondContact O-N 3.11Å; V518-I520 VanDerWaalsContact O-N 3.16Å; I520-N570 WeakPolarHBondContact O-CB 3.27Å; I520-N570 PolarHBondContact O-ND2 3.03Å; I520-N570 VanDerWaalsContact O-ND2 3.08Å; I520-T571 HydrophobicContact CD1-CG2 4.4Å; I520-T571 HydrophobicContact CG1-CG2 4.28Å | ||
| 521 | G | 88.2 | Confident | 83.4 | Confident | 12 Ų | 12 | 76.4 Ų | 76.4 | 12% | 0.124 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -70.6 | 158.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L523 D524 Q525 E574 | G521-L523 PolarHBondContact O-N 3.23Å; G521-D524 PolarHBondContact O-N 2.99Å; G521-Q525 PolarHBondContact O-N 3.29Å; G521-E574 VanDerWaalsContact CA-OE1 3.25Å; G521-E574 WeakPolarHBondContact CA-OE1 3.46Å |
| 522 | W | 92.6 | Very high | 83.3 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 1% | 0.011 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -52.7 | -31.4 | -175.6 | 80.1 | -98 | 0 | 0 | 0 | 113.3 | W505 Y506 L526 T550 A551 V567 E574 | W505-W522 AromaticContact CD1-CE2 3.48Å; W505-W522 VanDerWaalsContact CD1-CE2 3.48Å; W505-W522 AromaticContact CD1-CH2 3.97Å; W505-W522 AromaticContact CD1-CZ2 3.41Å; W505-W522 VanDerWaalsContact CD1-CZ2 3.41Å; W505-W522 AromaticContact CD1-NE1 3.74Å; W505-W522 AromaticContact CD2-NE1 3.8Å; W505-W522 AromaticContact CE2-CD1 3.46Å; W505-W522 VanDerWaalsContact CE2-CD1 3.46Å; W505-W522 AromaticContact CE2-CD2 3.81Å; W505-W522 AromaticContact CE2-CE2 3.73Å; W505-W522 AromaticContact CE2-CG 3.67Å; W505-W522 AromaticContact CE2-NE1 3.48Å; W505-W522 HydrophobicContact CG-CZ2 4.27Å; W505-W522 AromaticContact CG-NE1 3.99Å; W505-W522 HydrophobicContact CH2-CB 4.46Å; W505-W522 HydrophobicContact CH2-CG 4.35Å; W505-W522 HydrophobicContact CZ2-CB 3.74Å; W505-W522 AromaticContact CZ2-CD1 3.44Å; W505-W522 VanDerWaalsContact CZ2-CD1 3.44Å; W505-W522 HydrophobicContact CZ2-CD2 4.08Å; W505-W522 AromaticContact CZ2-CG 3.49Å; W505-W522 HydrophobicContact CZ2-CG 3.49Å; W505-W522 VanDerWaalsContact CZ2-CG 3.49Å; W505-W522 AromaticContact CZ2-NE1 3.98Å; W505-W522 AromaticContact NE1-CD1 3.75Å; W505-W522 AromaticContact NE1-CD2 3.32Å; W505-W522 VanDerWaalsContact NE1-CD2 3.32Å; W505-W522 AromaticContact NE1-CE2 3.17Å; W505-W522 AromaticContact NE1-CE3 3.79Å; W505-W522 AromaticContact NE1-CG 3.72Å; W505-W522 AromaticContact NE1-CH2 3.99Å; W505-W522 AromaticContact NE1-CZ2 3.54Å; W505-W522 AromaticContact NE1-NE1 3.42Å; W505-W522 PolarHBondContact O-NE1 2.87Å; W505-W522 VanDerWaalsContact O-NE1 3.08Å; Y506-W522 HydrophobicContact CD2-CZ2 4.24Å; W522-L526 HydrophobicContact CZ3-CD2 3.86Å; W522-L526 WeakPolarHBondContact O-CB 3.34Å; W522-L526 PolarHBondContact O-N 2.97Å; W522-T550 HydrophobicContact CE3-CG2 4.48Å; W522-T550 HydrophobicContact CZ3-CG2 3.86Å; W522-A551 HydrophobicContact CH2-CB 3.91Å; W522-A551 HydrophobicContact CZ2-CB 4.27Å; W522-V567 HydrophobicContact CB-CG1 4.28Å; W522-V567 HydrophobicContact CE3-CG1 4.07Å; W522-E574 VanDerWaalsContact CD1-OE1 3.24Å; W522-E574 PolarHBondContact N-OE1 3.31Å |
| 523 | L | 89.9 | Confident | 82.8 | Confident | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -72.7 | -32.6 | -178.8 | -177.7 | 60.4 | 0 | 0 | 0 | 113.2 | Y506 G521 A527 F534 P542 K547 | Y506-L523 HydrophobicContact CE2-CD1 4.34Å; Y506-L523 HydrophobicContact CE2-CD2 4.28Å; G521-L523 PolarHBondContact O-N 3.23Å; L523-A527 PolarHBondContact O-N 2.64Å; L523-F534 HydrophobicContact CD1-CZ 4.38Å; L523-F534 HydrophobicContact CD2-CZ 4.39Å; L523-F534 HydrophobicContact CG-CE2 4.25Å; L523-F534 HydrophobicContact CG-CZ 4.01Å; L523-P542 HydrophobicContact CD1-CG 4.39Å; L523-K547 HydrophobicContact CD1-CG 3.98Å |
| 524 | D | 86.9 | Confident | 82.5 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 10% | 0.102 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -78.1 | -38.8 | 174.2 | -71.7 | -46.8 | 0 | 0 | 0 | 110.2 | R513 R519 G521 L526 A527 E528 F534 | R513-D524 WeakPolarHBondContact CD-OD1 3.4Å; R513-D524 IonicContact CZ-OD1 2.71Å; R513-D524 IonicContact NE-OD1 3.72Å; R513-D524 PolarHBondContact NE-OD1 3.2Å; R513-D524 IonicContact NE-OD2 2.77Å; R513-D524 IonicContact NH2-OD1 3.26Å; R519-D524 WeakPolarHBondContact CA-OD2 3.24Å; R519-D524 HydrophobicContact CB-CB 4.16Å; R519-D524 WeakPolarHBondContact CD-OD2 3.43Å; G521-D524 PolarHBondContact O-N 2.99Å; D524-L526 VanDerWaalsContact C-N 3.34Å; D524-L526 PolarHBondContact O-N 2.98Å; D524-A527 WeakPolarHBondContact O-CB 3.39Å; D524-A527 PolarHBondContact O-N 3.39Å; D524-A527 VanDerWaalsContact O-N 3.1Å; D524-E528 PolarHBondContact O-N 3.34Å; D524-E528 VanDerWaalsContact O-N 3.1Å; D524-F534 WeakPolarHBondContact OD1-CD2 3.29Å; D524-F534 VanDerWaalsContact OD1-CE2 3.31Å; D524-F534 WeakPolarHBondContact OD1-CE2 3.4Å |
| 525 | Q | 88.3 | Confident | 81.9 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 171.8 | -172.8 | -178.6 | 4.2 | 0 | 0 | 112.2 | G521 A527 E528 Q529 N570 | G521-Q525 PolarHBondContact O-N 3.29Å; Q525-A527 VanDerWaalsContact C-N 3.32Å; Q525-A527 PolarHBondContact O-N 3.31Å; Q525-E528 PolarHBondContact O-N 3.38Å; Q525-Q529 WeakPolarHBondContact O-CG 3.38Å; Q525-Q529 PolarHBondContact O-N 2.98Å; Q525-N570 PolarHBondContact OE1-ND2 3.47Å |
| 526 | L | 90.9 | Very high | 81 | Confident | 5 Ų | 5 | 76.4 Ų | 76.4 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 172.7 | 177.8 | 63.4 | 0 | 0 | 0 | 112.3 | W522 D524 E528 Q529 I530 P542 T550 | W522-L526 HydrophobicContact CZ3-CD2 3.86Å; W522-L526 WeakPolarHBondContact O-CB 3.34Å; W522-L526 PolarHBondContact O-N 2.97Å; D524-L526 VanDerWaalsContact C-N 3.34Å; D524-L526 PolarHBondContact O-N 2.98Å; L526-E528 VanDerWaalsContact C-N 3.3Å; L526-E528 PolarHBondContact O-N 3.25Å; L526-Q529 PolarHBondContact O-N 3.08Å; L526-I530 HydrophobicContact CD1-CD1 3.44Å; L526-I530 VanDerWaalsContact CD1-CD1 3.44Å; L526-I530 HydrophobicContact CD1-CG1 3.93Å; L526-I530 HydrophobicContact CG-CD1 3.94Å; L526-I530 WeakPolarHBondContact O-CB 3.49Å; L526-I530 PolarHBondContact O-N 2.99Å; L526-P542 HydrophobicContact CD2-CG 4.48Å; L526-T550 HydrophobicContact CD1-CG2 3.82Å; L526-T550 HydrophobicContact CD2-CG2 3.96Å; L526-T550 HydrophobicContact CG-CG2 4.45Å |
| 527 | A | 87.4 | Confident | 80.1 | Confident | 2 Ų | 2 | 81.3 Ų | 81.3 | 2% | 0.017 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.5 | -36 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L523 D524 Q525 K531 Q532 F534 P542 | L523-A527 PolarHBondContact O-N 2.64Å; D524-A527 WeakPolarHBondContact O-CB 3.39Å; D524-A527 PolarHBondContact O-N 3.39Å; D524-A527 VanDerWaalsContact O-N 3.1Å; Q525-A527 VanDerWaalsContact C-N 3.32Å; Q525-A527 PolarHBondContact O-N 3.31Å; A527-K531 PolarHBondContact O-N 3.1Å; A527-Q532 WeakPolarHBondContact CB-O 3.42Å; A527-Q532 CarbonylContact O-C 3.57Å; A527-Q532 VanDerWaalsContact O-C 3.28Å; A527-Q532 PolarHBondContact O-N 3.23Å; A527-F534 HydrophobicContact CB-CD2 3.67Å; A527-F534 HydrophobicContact CB-CE2 3.58Å; A527-F534 HydrophobicContact CB-CZ 4.48Å; A527-P542 HydrophobicContact CB-CG 4.13Å |
| 528 | E | 86.6 | Confident | 79.8 | Confident | 150 Ų | 150 | 77.3 Ų | 77.3 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.8 | -52.4 | 171 | -176.5 | 173.6 | -151.9 | 0 | 0 | 111.9 | D524 Q525 L526 I530 K531 | D524-E528 PolarHBondContact O-N 3.34Å; D524-E528 VanDerWaalsContact O-N 3.1Å; Q525-E528 PolarHBondContact O-N 3.38Å; L526-E528 VanDerWaalsContact C-N 3.3Å; L526-E528 PolarHBondContact O-N 3.25Å; E528-I530 VanDerWaalsContact C-N 3.31Å; E528-I530 PolarHBondContact O-N 2.72Å; E528-K531 PolarHBondContact O-N 2.83Å |
| 529 | Q | 87.9 | Confident | 79.2 | Confident | 97 Ų | 97 | 77 Ų | 77 | 45% | 0.453 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -54.9 | -42.6 | 178.8 | -74.4 | 175.1 | -9.7 | 0 | 0 | 113 | Q525 L526 K531 N566 | Q525-Q529 WeakPolarHBondContact O-CG 3.38Å; Q525-Q529 PolarHBondContact O-N 2.98Å; L526-Q529 PolarHBondContact O-N 3.08Å; Q529-K531 VanDerWaalsContact C-N 3.26Å; Q529-K531 PolarHBondContact O-N 3.34Å; Q529-N566 PolarHBondContact NE2-O 2.85Å |
| 530 | I | 88 | Confident | 78.7 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 32% | 0.318 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -5.1 | 179.5 | -68.5 | -179.2 | 0 | 0 | 0 | 112.2 | L526 E528 Q532 | L526-I530 HydrophobicContact CD1-CD1 3.44Å; L526-I530 VanDerWaalsContact CD1-CD1 3.44Å; L526-I530 HydrophobicContact CD1-CG1 3.93Å; L526-I530 HydrophobicContact CG-CD1 3.94Å; L526-I530 WeakPolarHBondContact O-CB 3.49Å; L526-I530 PolarHBondContact O-N 2.99Å; E528-I530 VanDerWaalsContact C-N 3.31Å; E528-I530 PolarHBondContact O-N 2.72Å; I530-Q532 HydrophobicContact CG2-CB 4.15Å; I530-Q532 HydrophobicContact CG2-CG 3.91Å; I530-Q532 PolarHBondContact O-N 3.02Å |
| 531 | K | 83.8 | Confident | 78.4 | Confident | 186 Ų | 186 | 72.9 Ų | 72.9 | 81% | 0.809 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 34.2 | -173.3 | -53.1 | -180 | -177.7 | 178.9 | 0 | 112.7 | A527 E528 Q529 P533 | A527-K531 PolarHBondContact O-N 3.1Å; E528-K531 PolarHBondContact O-N 2.83Å; Q529-K531 VanDerWaalsContact C-N 3.26Å; Q529-K531 PolarHBondContact O-N 3.34Å; K531-P533 WeakPolarHBondContact O-CD 3.43Å |
| 532 | Q | 83.2 | Confident | 78.2 | Confident | 90 Ų | 90 | 72.5 Ų | 72.5 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | trans | -119.7 | 59.2 | 172.3 | -70 | 179.5 | -1.4 | 0 | 0 | 109.8 | A527 I530 G541 | A527-Q532 WeakPolarHBondContact CB-O 3.42Å; A527-Q532 CarbonylContact O-C 3.57Å; A527-Q532 VanDerWaalsContact O-C 3.28Å; A527-Q532 PolarHBondContact O-N 3.23Å; I530-Q532 HydrophobicContact CG2-CB 4.15Å; I530-Q532 HydrophobicContact CG2-CG 3.91Å; I530-Q532 PolarHBondContact O-N 3.02Å; Q532-G541 WeakPolarHBondContact O-CA 3.2Å | ||
| 533 | P | 76.7 | Confident | 77.9 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 51% | 0.506 | 39% | 0.39 | S | S | . | . | trans | -63.9 | 150.7 | -175.9 | 29.3 | -37 | 0 | 0 | 0 | 111.6 | K531 G535 | K531-P533 WeakPolarHBondContact O-CD 3.43Å; P533-G535 PolarHBondContact O-N 3.18Å | ||
| 534 | F | 74.7 | Confident | 77.7 | Confident | 45 Ų | 45 | 77.5 Ų | 77.5 | 20% | 0.197 | 40% | 0.404 | C | S | . | . | trans | -75.8 | 112.6 | 178.4 | -64.8 | -83.9 | 0 | 0 | 0 | 111.7 | R513 L523 D524 A527 L540 P542 | R513-F534 VanDerWaalsContact CZ-CG 3.49Å; R513-F534 VanDerWaalsContact NE-CE2 3.27Å; L523-F534 HydrophobicContact CD1-CZ 4.38Å; L523-F534 HydrophobicContact CD2-CZ 4.39Å; L523-F534 HydrophobicContact CG-CE2 4.25Å; L523-F534 HydrophobicContact CG-CZ 4.01Å; D524-F534 WeakPolarHBondContact OD1-CD2 3.29Å; D524-F534 VanDerWaalsContact OD1-CE2 3.31Å; D524-F534 WeakPolarHBondContact OD1-CE2 3.4Å; A527-F534 HydrophobicContact CB-CD2 3.67Å; A527-F534 HydrophobicContact CB-CE2 3.58Å; A527-F534 HydrophobicContact CB-CZ 4.48Å; F534-L540 WeakPolarHBondContact CA-O 3.01Å; F534-L540 VanDerWaalsContact CD1-O 3.27Å; F534-L540 WeakPolarHBondContact CD1-O 3.47Å; F534-P542 HydrophobicContact CZ-CG 4.13Å | ||
| 535 | G | 64.9 | Low | 77.9 | Confident | 32 Ų | 32 | 84.1 Ų | 84.1 | 33% | 0.33 | 43% | 0.432 | S | S | . | . | trans | -77.4 | 163.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | P533 R537 | P533-G535 PolarHBondContact O-N 3.18Å; G535-R537 CarbonylContact C-O 3.36Å; G535-R537 CarbonylContact O-C 3.6Å; G535-R537 VanDerWaalsContact O-C 3.25Å; G535-R537 PolarHBondContact O-N 2.76Å; G535-R537 VanDerWaalsContact O-N 3.16Å; G535-R537 VanDerWaalsContact O-O 3.14Å | ||
| 536 | N | 58.3 | Low | 78 | Confident | 182 Ų | 182 | 83 Ų | 83 | 97% | 0.973 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -56.1 | -30.1 | 175.1 | -76.9 | -4.1 | 0 | 0 | 0 | 113 | ||
| 537 | R | 54.5 | Low | 78.1 | Confident | 218 Ų | 218 | 83.8 Ų | 83.8 | 82% | 0.823 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -86.2 | 113.7 | 160 | -69.4 | -176.7 | 178.9 | 176.6 | -0.2 | 107.8 | G535 T539 | G535-R537 CarbonylContact C-O 3.36Å; G535-R537 CarbonylContact O-C 3.6Å; G535-R537 VanDerWaalsContact O-C 3.25Å; G535-R537 PolarHBondContact O-N 2.76Å; G535-R537 VanDerWaalsContact O-N 3.16Å; G535-R537 VanDerWaalsContact O-O 3.14Å; R537-T539 PolarHBondContact O-N 3.37Å |
| 538 | S | 60.9 | Low | 78.4 | Confident | 68 Ų | 68 | 86.1 Ų | 86.1 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -1.3 | -167.7 | 60.9 | 0 | 0 | 0 | 0 | 116.7 | R365 | R365-S538 PolarHBondContact NE-OG 3.22Å; R365-S538 PolarHBondContact NH1-O 2.76Å; R365-S538 PolarHBondContact NH2-O 2.92Å; R365-S538 PolarHBondContact NH2-OG 3.09Å |
| 539 | T | 58.1 | Low | 78.8 | Confident | 90 Ų | 90 | 83.3 Ų | 83.3 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -23 | -177.6 | 43.3 | 0 | 0 | 0 | 0 | 114.2 | R365 R537 | R365-T539 VanDerWaalsContact NH2-CA 3.34Å; R365-T539 VanDerWaalsContact NH2-N 3.16Å; R537-T539 PolarHBondContact O-N 3.37Å |
| 540 | L | 65.7 | Low | 79.1 | Confident | 108 Ų | 108 | 79.7 Ų | 79.7 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | trans | -82.2 | 139 | 169.4 | -86.4 | 63.6 | 0 | 0 | 0 | 110.1 | F534 | F534-L540 WeakPolarHBondContact CA-O 3.01Å; F534-L540 VanDerWaalsContact CD1-O 3.27Å; F534-L540 WeakPolarHBondContact CD1-O 3.47Å | ||
| 541 | G | 78.6 | Confident | 79.5 | Confident | 24 Ų | 24 | 76.7 Ų | 76.7 | 25% | 0.247 | 40% | 0.4 | C | S | . | . | S | Bend | trans | 157 | 165.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q532 | Q532-G541 WeakPolarHBondContact O-CA 3.2Š|
| 542 | P | 84.9 | Confident | 80 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | trans | -62.4 | 143.9 | -179.2 | 23.2 | -33.5 | 0 | 0 | 0 | 113 | L523 L526 A527 F534 K547 | L523-P542 HydrophobicContact CD1-CG 4.39Å; L526-P542 HydrophobicContact CD2-CG 4.48Å; A527-P542 HydrophobicContact CB-CG 4.13Å; F534-P542 HydrophobicContact CZ-CG 4.13Å; P542-K547 HydrophobicContact CB-CG 4.41Å; P542-K547 HydrophobicContact CG-CG 4.26Å; P542-K547 WeakPolarHBondContact O-CD 3.33Å; P542-K547 WeakPolarHBondContact O-CE 3.31Å | ||
| 543 | S | 86.1 | Confident | 80.6 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | trans | -61 | 154.7 | -178.1 | 86.2 | 0 | 0 | 0 | 0 | 113.2 | K545 S546 K547 | S543-K545 PolarHBondContact O-N 3.44Å; S543-S546 WeakPolarHBondContact O-CB 3.5Å; S543-S546 PolarHBondContact O-N 3.27Å; S543-S546 VanDerWaalsContact O-N 3.09Å; S543-S546 WeakPolarHBondContact OG-CB 3.41Å; S543-S546 PolarHBondContact OG-N 2.88Å; S543-S546 PolarHBondContact OG-OG 2.87Å; S543-K547 WeakPolarHBondContact O-CG 3.15Å; S543-K547 PolarHBondContact O-N 3.24Å | ||
| 544 | I | 86.1 | Confident | 81.5 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.7 | -41 | 176.3 | -52.6 | 173 | 0 | 0 | 0 | 110.8 | F358 D362 K547 Y548 | F358-I544 HydrophobicContact CB-CG2 4.26Å; F358-I544 HydrophobicContact CD1-CG2 4.19Å; D362-I544 VanDerWaalsContact OD2-CD1 3.26Å; D362-I544 WeakPolarHBondContact OD2-CD1 3.41Å; D362-I544 WeakPolarHBondContact OD2-CG1 3.33Å; I544-K547 PolarHBondContact O-N 3.37Å; I544-Y548 WeakPolarHBondContact O-CB 3.22Å; I544-Y548 PolarHBondContact O-N 3.15Å |
| 545 | K | 90.2 | Very high | 82.5 | Confident | 158 Ų | 158 | 63.4 Ų | 63.4 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 175.7 | -176.4 | 177.6 | -179.8 | -179.4 | 0 | 111.4 | S543 I549 | S543-K545 PolarHBondContact O-N 3.44Å; K545-I549 HydrophobicContact CD-CD1 4.49Å; K545-I549 HydrophobicContact CG-CD1 3.73Å; K545-I549 WeakPolarHBondContact O-CB 3.42Å; K545-I549 VanDerWaalsContact O-CG1 3.26Å; K545-I549 WeakPolarHBondContact O-CG1 3.35Å; K545-I549 PolarHBondContact O-N 3.04Å |
| 546 | S | 91.4 | Very high | 83.9 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -52.8 | 176.4 | -51.8 | 0 | 0 | 0 | 0 | 111 | S543 Y548 I549 T550 | S543-S546 WeakPolarHBondContact O-CB 3.5Å; S543-S546 PolarHBondContact O-N 3.27Å; S543-S546 VanDerWaalsContact O-N 3.09Å; S543-S546 WeakPolarHBondContact OG-CB 3.41Å; S543-S546 PolarHBondContact OG-N 2.88Å; S543-S546 PolarHBondContact OG-OG 2.87Å; S546-Y548 VanDerWaalsContact C-N 3.34Å; S546-Y548 PolarHBondContact O-N 3.27Å; S546-I549 PolarHBondContact O-N 3.13Å; S546-T550 WeakPolarHBondContact O-CB 3.42Å; S546-T550 PolarHBondContact O-N 3.09Å; S546-T550 PolarHBondContact O-OG1 2.65Å; S546-T550 VanDerWaalsContact O-OG1 3.05Å |
| 547 | K | 91.9 | Very high | 85.6 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.4 | -47.9 | 178.6 | -70.3 | 162.1 | 161 | -171.4 | 0 | 112.4 | F358 Y506 L523 P542 S543 I544 A551 | F358-K547 HydrophobicContact CE1-CB 4.26Å; Y506-K547 HydrophobicContact CD2-CB 4.22Å; Y506-K547 HydrophobicContact CE2-CB 3.92Å; Y506-K547 HydrophobicContact CE2-CD 3.68Å; Y506-K547 HydrophobicContact CE2-CG 4Å; Y506-K547 PolarHBondContact OH-NZ 2.83Å; L523-K547 HydrophobicContact CD1-CG 3.98Å; P542-K547 HydrophobicContact CB-CG 4.41Å; P542-K547 HydrophobicContact CG-CG 4.26Å; P542-K547 WeakPolarHBondContact O-CD 3.33Å; P542-K547 WeakPolarHBondContact O-CE 3.31Å; S543-K547 WeakPolarHBondContact O-CG 3.15Å; S543-K547 PolarHBondContact O-N 3.24Å; I544-K547 PolarHBondContact O-N 3.37Å; K547-A551 VanDerWaalsContact O-CB 3.3Å; K547-A551 WeakPolarHBondContact O-CB 3.5Å; K547-A551 PolarHBondContact O-N 3.22Å |
| 548 | Y | 94.5 | Very high | 87.5 | Confident | 52 Ų | 52 | 47 Ų | 47 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -48.7 | 179.5 | 174.8 | -106.6 | 0 | 0 | 0 | 112.3 | Y354 F358 H499 I544 S546 T550 A551 L552 | Y354-Y548 AromaticContact CD2-CD2 3.91Å; Y354-Y548 HydrophobicContact CD2-CD2 3.91Å; Y354-Y548 HydrophobicContact CD2-CE2 4.09Å; Y354-Y548 HydrophobicContact CD2-CG 4.45Å; Y354-Y548 AromaticContact CE2-CD2 3.98Å; Y354-Y548 HydrophobicContact CE2-CD2 3.98Å; Y354-Y548 HydrophobicContact CE2-CG 4.07Å; F358-Y548 HydrophobicContact CD2-CD2 4.44Å; F358-Y548 HydrophobicContact CE1-CD2 4.42Å; F358-Y548 AromaticContact CE2-CD2 3.74Å; F358-Y548 HydrophobicContact CE2-CD2 3.74Å; F358-Y548 AromaticContact CZ-CD2 3.73Å; F358-Y548 HydrophobicContact CZ-CD2 3.73Å; F358-Y548 HydrophobicContact CZ-CG 4.39Å; H499-Y548 AromaticContact CE1-CE2 3.84Å; H499-Y548 AromaticContact ND1-CE2 3.61Å; H499-Y548 AromaticContact ND1-CZ 3.7Å; H499-Y548 PolarHBondContact ND1-OH 3.08Å; I544-Y548 WeakPolarHBondContact O-CB 3.22Å; I544-Y548 PolarHBondContact O-N 3.15Å; S546-Y548 VanDerWaalsContact C-N 3.34Å; S546-Y548 PolarHBondContact O-N 3.27Å; Y548-T550 PolarHBondContact O-N 3.22Å; Y548-A551 PolarHBondContact O-N 2.76Å; Y548-L552 HydrophobicContact CE1-CD2 4.08Å; Y548-L552 VanDerWaalsContact O-CB 3.32Å; Y548-L552 WeakPolarHBondContact O-CB 3.43Å; Y548-L552 PolarHBondContact O-N 2.79Å |
| 549 | I | 94.9 | Very high | 89 | Confident | 90 Ų | 90 | 43.8 Ų | 43.8 | 46% | 0.462 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63 | -42.7 | -179.7 | -68.3 | 171.5 | 0 | 0 | 0 | 110.8 | K545 S546 L552 Y553 | K545-I549 HydrophobicContact CD-CD1 4.49Å; K545-I549 HydrophobicContact CG-CD1 3.73Å; K545-I549 WeakPolarHBondContact O-CB 3.42Å; K545-I549 VanDerWaalsContact O-CG1 3.26Å; K545-I549 WeakPolarHBondContact O-CG1 3.35Å; K545-I549 PolarHBondContact O-N 3.04Å; S546-I549 PolarHBondContact O-N 3.13Å; I549-L552 PolarHBondContact O-N 2.96Å; I549-Y553 VanDerWaalsContact O-CB 3.25Å; I549-Y553 WeakPolarHBondContact O-CB 3.05Å; I549-Y553 PolarHBondContact O-N 3.41Å |
| 550 | T | 94.5 | Very high | 90.7 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 13% | 0.129 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 177.4 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | W522 L526 S546 Y548 Y553 F554 V567 | W522-T550 HydrophobicContact CE3-CG2 4.48Å; W522-T550 HydrophobicContact CZ3-CG2 3.86Å; L526-T550 HydrophobicContact CD1-CG2 3.82Å; L526-T550 HydrophobicContact CD2-CG2 3.96Å; L526-T550 HydrophobicContact CG-CG2 4.45Å; S546-T550 WeakPolarHBondContact O-CB 3.42Å; S546-T550 PolarHBondContact O-N 3.09Å; S546-T550 PolarHBondContact O-OG1 2.65Å; S546-T550 VanDerWaalsContact O-OG1 3.05Å; Y548-T550 PolarHBondContact O-N 3.22Å; T550-Y553 PolarHBondContact O-N 3.06Å; T550-F554 PolarHBondContact O-N 2.88Å; T550-V567 HydrophobicContact CG2-CG2 3.47Å; T550-V567 VanDerWaalsContact CG2-CG2 3.47Å |
| 551 | A | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A502 W522 K547 Y548 F554 T555 | A502-A551 HydrophobicContact CB-CB 4.2Å; W522-A551 HydrophobicContact CH2-CB 3.91Å; W522-A551 HydrophobicContact CZ2-CB 4.27Å; K547-A551 VanDerWaalsContact O-CB 3.3Å; K547-A551 WeakPolarHBondContact O-CB 3.5Å; K547-A551 PolarHBondContact O-N 3.22Å; Y548-A551 PolarHBondContact O-N 2.76Å; A551-F554 PolarHBondContact O-N 2.76Å; A551-T555 PolarHBondContact O-N 3.47Å; A551-T555 VanDerWaalsContact O-N 3.1Å; A551-T555 PolarHBondContact O-OG1 3.13Å |
| 552 | L | 95.2 | Very high | 92.7 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 178.4 | -170.1 | 66.4 | 0 | 0 | 0 | 111.6 | H499 A502 Y548 I549 T555 F556 | H499-L552 HydrophobicContact CB-CD1 4.35Å; A502-L552 HydrophobicContact CB-CB 4.17Å; A502-L552 HydrophobicContact CB-CD1 3.96Å; Y548-L552 HydrophobicContact CE1-CD2 4.08Å; Y548-L552 VanDerWaalsContact O-CB 3.32Å; Y548-L552 WeakPolarHBondContact O-CB 3.43Å; Y548-L552 PolarHBondContact O-N 2.79Å; I549-L552 PolarHBondContact O-N 2.96Å; L552-T555 PolarHBondContact O-N 2.67Å; L552-T555 PolarHBondContact O-OG1 3.27Å; L552-F556 HydrophobicContact CD1-CD2 4.07Å; L552-F556 HydrophobicContact CD1-CE2 3.73Å; L552-F556 HydrophobicContact CD2-CE2 4.14Å; L552-F556 HydrophobicContact CG-CD2 3.8Å; L552-F556 HydrophobicContact CG-CE2 3.7Å; L552-F556 WeakPolarHBondContact O-CD2 3.42Å; L552-F556 PolarHBondContact O-N 2.85Å |
| 553 | Y | 95.3 | Very high | 92.9 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 174.3 | 165.2 | -101.9 | 0 | 0 | 0 | 112.5 | I549 T550 F556 S557 F564 N566 | I549-Y553 VanDerWaalsContact O-CB 3.25Å; I549-Y553 WeakPolarHBondContact O-CB 3.05Å; I549-Y553 PolarHBondContact O-N 3.41Å; T550-Y553 PolarHBondContact O-N 3.06Å; Y553-F556 PolarHBondContact O-N 3.42Å; Y553-S557 WeakPolarHBondContact O-CB 3.34Å; Y553-S557 PolarHBondContact O-N 3.35Å; Y553-S557 PolarHBondContact O-OG 3.06Å; Y553-F564 AromaticContact CE2-CD2 3.61Å; Y553-F564 HydrophobicContact CE2-CD2 3.61Å; Y553-F564 AromaticContact CE2-CE2 3.82Å; Y553-F564 HydrophobicContact CE2-CE2 3.82Å; Y553-F564 AromaticContact CZ-CD2 3.61Å; Y553-F564 VanDerWaalsContact OH-CB 3.23Å; Y553-F564 WeakPolarHBondContact OH-CB 3.34Å; Y553-F564 VanDerWaalsContact OH-CD2 3.23Å; Y553-F564 WeakPolarHBondContact OH-CD2 3.46Å; Y553-F564 VanDerWaalsContact OH-CG 3.31Å; Y553-F564 WeakPolarHBondContact OH-CG 3.43Å; Y553-N566 HydrophobicContact CE1-CB 4.31Å; Y553-N566 PolarHBondContact OH-ND2 3.2Å |
| 554 | F | 95 | Very high | 93.2 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.9 | -56.8 | 174.2 | 172.7 | -106.8 | 0 | 0 | 0 | 109.8 | W505 T550 A551 F556 S557 S558 V567 F577 | W505-F554 AromaticContact CD1-CD1 3.87Å; W505-F554 AromaticContact CD2-CD1 3.63Å; W505-F554 HydrophobicContact CD2-CD1 3.63Å; W505-F554 AromaticContact CD2-CE1 3.6Å; W505-F554 HydrophobicContact CD2-CE1 3.6Å; W505-F554 AromaticContact CE2-CD1 3.39Å; W505-F554 AromaticContact CE2-CE1 3.54Å; W505-F554 AromaticContact CE2-CG 3.99Å; W505-F554 HydrophobicContact CE3-CD1 4.24Å; W505-F554 AromaticContact CE3-CE1 3.72Å; W505-F554 HydrophobicContact CE3-CE1 3.72Å; W505-F554 AromaticContact CG-CD1 3.91Å; W505-F554 HydrophobicContact CG-CD1 3.91Å; W505-F554 HydrophobicContact CG-CE1 4.29Å; W505-F554 HydrophobicContact CH2-CD1 4.36Å; W505-F554 AromaticContact CH2-CE1 3.69Å; W505-F554 HydrophobicContact CH2-CE1 3.69Å; W505-F554 HydrophobicContact CH2-CE2 4.43Å; W505-F554 AromaticContact CH2-CZ 3.74Å; W505-F554 HydrophobicContact CH2-CZ 3.74Å; W505-F554 AromaticContact CZ2-CD1 3.81Å; W505-F554 HydrophobicContact CZ2-CD1 3.81Å; W505-F554 HydrophobicContact CZ2-CD2 4.4Å; W505-F554 AromaticContact CZ2-CE1 3.61Å; W505-F554 HydrophobicContact CZ2-CE1 3.61Å; W505-F554 HydrophobicContact CZ2-CE2 4.23Å; W505-F554 HydrophobicContact CZ2-CG 4.21Å; W505-F554 AromaticContact CZ2-CZ 3.84Å; W505-F554 HydrophobicContact CZ2-CZ 3.84Å; W505-F554 AromaticContact CZ3-CE1 3.74Å; W505-F554 HydrophobicContact CZ3-CE1 3.74Å; W505-F554 HydrophobicContact CZ3-CZ 4.09Å; W505-F554 AromaticContact NE1-CD1 3.55Å; W505-F554 AromaticContact NE1-CG 3.91Å; T550-F554 PolarHBondContact O-N 2.88Å; A551-F554 PolarHBondContact O-N 2.76Å; F554-F556 PolarHBondContact O-N 2.8Å; F554-S557 PolarHBondContact O-N 3.07Å; F554-S557 VanDerWaalsContact O-N 3.12Å; F554-S557 PolarHBondContact O-OG 3.27Å; F554-S558 PolarHBondContact O-N 3.42Å; F554-S558 PolarHBondContact O-OG 2.89Å; F554-V567 HydrophobicContact CB-CB 4.3Å; F554-V567 HydrophobicContact CB-CG1 4.12Å; F554-V567 HydrophobicContact CD2-CB 4.06Å; F554-V567 HydrophobicContact CD2-CG1 3.93Å; F554-V567 WeakPolarHBondContact CD2-O 3.29Å; F554-V567 HydrophobicContact CG-CG1 4.14Å; F554-F577 HydrophobicContact CE1-CE1 4.48Å |
| 555 | T | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | -176.9 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | A498 L501 A502 A551 L552 S558 L559 | A498-T555 PolarHBondContact O-OG1 2.98Å; L501-T555 HydrophobicContact CB-CG2 3.86Å; A502-T555 HydrophobicContact CB-CG2 4.37Å; A551-T555 PolarHBondContact O-N 3.47Å; A551-T555 VanDerWaalsContact O-N 3.1Å; A551-T555 PolarHBondContact O-OG1 3.13Å; L552-T555 PolarHBondContact O-N 2.67Å; L552-T555 PolarHBondContact O-OG1 3.27Å; T555-S558 PolarHBondContact O-N 3.4Å; T555-L559 VanDerWaalsContact O-CB 3.32Å; T555-L559 WeakPolarHBondContact O-CB 3.46Å; T555-L559 WeakPolarHBondContact O-CG 3.49Å; T555-L559 PolarHBondContact O-N 2.8Å |
| 556 | F | 94.5 | Very high | 93.3 | Very high | 59 Ų | 59 | 46 Ų | 46 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 172.8 | -89 | -60.9 | 0 | 0 | 0 | 111.2 | F494 V495 A498 L552 Y553 F554 S558 L559 T560 | F494-F556 HydrophobicContact CD1-CE1 4.06Å; F494-F556 AromaticContact CE1-CD1 3.82Å; F494-F556 HydrophobicContact CE1-CD1 3.82Å; F494-F556 AromaticContact CE1-CE1 3.67Å; F494-F556 HydrophobicContact CE1-CE1 3.67Å; F494-F556 HydrophobicContact CZ-CD1 4.33Å; V495-F556 HydrophobicContact CB-CZ 4.48Å; V495-F556 HydrophobicContact CG1-CZ 4.37Å; V495-F556 HydrophobicContact CG2-CE1 4.5Å; V495-F556 HydrophobicContact CG2-CZ 4.23Å; A498-F556 HydrophobicContact CB-CD1 3.85Å; A498-F556 HydrophobicContact CB-CD2 4.35Å; A498-F556 HydrophobicContact CB-CE1 3.54Å; A498-F556 HydrophobicContact CB-CE2 4.08Å; A498-F556 HydrophobicContact CB-CG 4.24Å; A498-F556 HydrophobicContact CB-CZ 3.67Å; L552-F556 HydrophobicContact CD1-CD2 4.07Å; L552-F556 HydrophobicContact CD1-CE2 3.73Å; L552-F556 HydrophobicContact CD2-CE2 4.14Å; L552-F556 HydrophobicContact CG-CD2 3.8Å; L552-F556 HydrophobicContact CG-CE2 3.7Å; L552-F556 WeakPolarHBondContact O-CD2 3.42Å; L552-F556 PolarHBondContact O-N 2.85Å; Y553-F556 PolarHBondContact O-N 3.42Å; F554-F556 PolarHBondContact O-N 2.8Å; F556-S558 VanDerWaalsContact C-N 3.27Å; F556-S558 PolarHBondContact O-N 2.97Å; F556-L559 PolarHBondContact O-N 2.97Å; F556-T560 WeakPolarHBondContact O-CG2 3.32Å; F556-T560 PolarHBondContact O-N 3.16Å; F556-T560 PolarHBondContact O-OG1 3.22Å |
| 557 | S | 94.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -26.7 | -178.7 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | Y553 F554 V562 G563 | Y553-S557 WeakPolarHBondContact O-CB 3.34Å; Y553-S557 PolarHBondContact O-N 3.35Å; Y553-S557 PolarHBondContact O-OG 3.06Å; F554-S557 PolarHBondContact O-N 3.07Å; F554-S557 VanDerWaalsContact O-N 3.12Å; F554-S557 PolarHBondContact O-OG 3.27Å; S557-V562 PolarHBondContact O-N 3.28Å; S557-G563 PolarHBondContact O-N 3.13Å |
| 558 | S | 94.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 12% | 0.119 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -75 | -45 | 169.1 | -53.5 | 0 | 0 | 0 | 0 | 112.4 | F554 T555 F556 T560 S561 | F554-S558 PolarHBondContact O-N 3.42Å; F554-S558 PolarHBondContact O-OG 2.89Å; T555-S558 PolarHBondContact O-N 3.4Å; F556-S558 VanDerWaalsContact C-N 3.27Å; F556-S558 PolarHBondContact O-N 2.97Å; S558-T560 PolarHBondContact O-N 3.2Å; S558-S561 PolarHBondContact O-N 3.39Å; S558-S561 VanDerWaalsContact O-N 3.17Å |
| 559 | L | 93.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.2 | -30.9 | -179.4 | -72.3 | 171.1 | 0 | 0 | 0 | 113.3 | F494 A498 L501 T555 F556 S561 V581 V584 | F494-L559 HydrophobicContact CE2-CB 3.98Å; F494-L559 HydrophobicContact CZ-CB 4.02Å; A498-L559 HydrophobicContact CB-CD1 3.63Å; L501-L559 HydrophobicContact CD1-CD1 4.14Å; L501-L559 HydrophobicContact CD1-CD2 4.01Å; L501-L559 HydrophobicContact CD1-CG 4.42Å; T555-L559 VanDerWaalsContact O-CB 3.32Å; T555-L559 WeakPolarHBondContact O-CB 3.46Å; T555-L559 WeakPolarHBondContact O-CG 3.49Å; T555-L559 PolarHBondContact O-N 2.8Å; F556-L559 PolarHBondContact O-N 2.97Å; L559-S561 VanDerWaalsContact C-N 3.32Å; L559-V581 HydrophobicContact CD2-CG1 4.08Å; L559-V581 HydrophobicContact CG-CG1 4.14Å; L559-V584 HydrophobicContact CD2-CG1 4.35Å |
| 560 | T | 92.4 | Very high | 93.1 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 5.5 | 174 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | F494 F556 S558 V562 | F494-T560 HydrophobicContact CE1-CG2 4.34Å; F494-T560 HydrophobicContact CZ-CG2 3.84Å; F556-T560 WeakPolarHBondContact O-CG2 3.32Å; F556-T560 PolarHBondContact O-N 3.16Å; F556-T560 PolarHBondContact O-OG1 3.22Å; S558-T560 PolarHBondContact O-N 3.2Å; T560-V562 PolarHBondContact O-N 3.3Å; T560-V562 WeakPolarHBondContact OG1-CG2 3.44Å |
| 561 | S | 92.3 | Very high | 92.9 | Very high | 103 Ų | 103 | 43 Ų | 43 | 72% | 0.72 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 16.7 | -177.2 | 66.8 | 0 | 0 | 0 | 0 | 116.3 | S558 L559 | S558-S561 PolarHBondContact O-N 3.39Å; S558-S561 VanDerWaalsContact O-N 3.17Å; L559-S561 VanDerWaalsContact C-N 3.32Å |
| 562 | V | 94.2 | Very high | 92.8 | Very high | 81 Ų | 81 | 49 Ų | 49 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | trans | -80.1 | -35.7 | -178.3 | 177.2 | 0 | 0 | 0 | 0 | 112.9 | S557 T560 F564 | S557-V562 PolarHBondContact O-N 3.28Å; T560-V562 PolarHBondContact O-N 3.3Å; T560-V562 WeakPolarHBondContact OG1-CG2 3.44Å; V562-F564 HydrophobicContact CB-CE2 4.49Å; V562-F564 HydrophobicContact CG1-CD1 3.97Å; V562-F564 HydrophobicContact CG1-CD2 4.05Å; V562-F564 HydrophobicContact CG1-CE1 3.62Å; V562-F564 HydrophobicContact CG1-CE2 3.7Å; V562-F564 HydrophobicContact CG1-CG 4.18Å; V562-F564 HydrophobicContact CG1-CZ 3.48Å; V562-F564 VanDerWaalsContact CG1-CZ 3.48Å; V562-F564 PolarHBondContact O-N 3.21Å | ||
| 563 | G | 89.9 | Confident | 92.6 | Very high | 52 Ų | 52 | 49.5 Ų | 49.5 | 54% | 0.536 | 30% | 0.298 | S | S | . | . | trans | 57.3 | 42.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | S557 G565 | S557-G563 PolarHBondContact O-N 3.13Å; G563-G565 PolarHBondContact O-N 3.47Å | ||
| 564 | F | 92.4 | Very high | 92.6 | Very high | 119 Ų | 119 | 45.7 Ų | 45.7 | 52% | 0.522 | 28% | 0.284 | S | S | . | . | trans | -51.8 | -14.8 | -172.4 | -66.8 | -70.3 | 0 | 0 | 0 | 118.1 | Y553 V562 N566 | Y553-F564 AromaticContact CE2-CD2 3.61Å; Y553-F564 HydrophobicContact CE2-CD2 3.61Å; Y553-F564 AromaticContact CE2-CE2 3.82Å; Y553-F564 HydrophobicContact CE2-CE2 3.82Å; Y553-F564 AromaticContact CZ-CD2 3.61Å; Y553-F564 VanDerWaalsContact OH-CB 3.23Å; Y553-F564 WeakPolarHBondContact OH-CB 3.34Å; Y553-F564 VanDerWaalsContact OH-CD2 3.23Å; Y553-F564 WeakPolarHBondContact OH-CD2 3.46Å; Y553-F564 VanDerWaalsContact OH-CG 3.31Å; Y553-F564 WeakPolarHBondContact OH-CG 3.43Å; V562-F564 HydrophobicContact CB-CE2 4.49Å; V562-F564 HydrophobicContact CG1-CD1 3.97Å; V562-F564 HydrophobicContact CG1-CD2 4.05Å; V562-F564 HydrophobicContact CG1-CE1 3.62Å; V562-F564 HydrophobicContact CG1-CE2 3.7Å; V562-F564 HydrophobicContact CG1-CG 4.18Å; V562-F564 HydrophobicContact CG1-CZ 3.48Å; V562-F564 VanDerWaalsContact CG1-CZ 3.48Å; V562-F564 PolarHBondContact O-N 3.21Å; F564-N566 PolarHBondContact O-N 3.13Å | ||
| 565 | G | 89 | Confident | 92.6 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 52% | 0.515 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 75.9 | -17.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | G563 V567 | G563-G565 PolarHBondContact O-N 3.47Å; G565-V567 PolarHBondContact O-N 3.18Å; G565-V567 VanDerWaalsContact O-N 3.1Å |
| 566 | N | 88.8 | Confident | 92.6 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -54.9 | -29.6 | 177.8 | -70.2 | -38.5 | 0 | 0 | 0 | 114 | Q529 Y553 F564 | Q529-N566 PolarHBondContact NE2-O 2.85Å; Y553-N566 HydrophobicContact CE1-CB 4.31Å; Y553-N566 PolarHBondContact OH-ND2 3.2Å; F564-N566 PolarHBondContact O-N 3.13Å |
| 567 | V | 91.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 53.9 Ų | 53.9 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -125.2 | 122.6 | 171 | -177.8 | 0 | 0 | 0 | 0 | 106.4 | W505 W522 T550 F554 G565 | W505-V567 HydrophobicContact CZ2-CG1 4.19Å; W522-V567 HydrophobicContact CB-CG1 4.28Å; W522-V567 HydrophobicContact CE3-CG1 4.07Å; T550-V567 HydrophobicContact CG2-CG2 3.47Å; T550-V567 VanDerWaalsContact CG2-CG2 3.47Å; F554-V567 HydrophobicContact CB-CB 4.3Å; F554-V567 HydrophobicContact CB-CG1 4.12Å; F554-V567 HydrophobicContact CD2-CB 4.06Å; F554-V567 HydrophobicContact CD2-CG1 3.93Å; F554-V567 WeakPolarHBondContact CD2-O 3.29Å; F554-V567 HydrophobicContact CG-CG1 4.14Å; G565-V567 PolarHBondContact O-N 3.18Å; G565-V567 VanDerWaalsContact O-N 3.1Å |
| 568 | S | 91.3 | Very high | 92.7 | Very high | 34 Ų | 34 | 54 Ų | 54 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | trans | -127.2 | 148 | -174.6 | 54.8 | 0 | 0 | 0 | 0 | 111.8 | N570 | S568-N570 PolarHBondContact O-N 3.34Å; S568-N570 PolarHBondContact O-OD1 3.03Å; S568-N570 PolarHBondContact OG-OD1 3.39Å | ||
| 569 | P | 93.5 | Very high | 92.7 | Very high | 33 Ų | 33 | 57 Ų | 57 | 21% | 0.214 | 34% | 0.341 | C | S | . | . | trans | -76.7 | 113 | 170.8 | 32 | -34.5 | 0 | 0 | 0 | 110.5 | W505 E574 K575 | W505-P569 HydrophobicContact CH2-CB 4.04Å; P569-E574 VanDerWaalsContact CB-C 3.47Å; P569-E574 HydrophobicContact CB-CB 3.74Å; P569-E574 WeakPolarHBondContact CB-O 3.4Å; P569-K575 HydrophobicContact CB-CG 3.96Å; P569-K575 HydrophobicContact CG-CG 4.29Å; P569-K575 WeakPolarHBondContact O-CE 3.35Å; P569-K575 WeakPolarHBondContact O-CG 3.38Å | ||
| 570 | N | 91.5 | Very high | 92.8 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | trans | -100 | -42.3 | -176.4 | -59.6 | -23.9 | 0 | 0 | 0 | 111.1 | I520 Q525 S568 E574 K575 | I520-N570 WeakPolarHBondContact O-CB 3.27Å; I520-N570 PolarHBondContact O-ND2 3.03Å; I520-N570 VanDerWaalsContact O-ND2 3.08Å; Q525-N570 PolarHBondContact OE1-ND2 3.47Å; S568-N570 PolarHBondContact O-N 3.34Å; S568-N570 PolarHBondContact O-OD1 3.03Å; S568-N570 PolarHBondContact OG-OD1 3.39Å; N570-E574 WeakPolarHBondContact CA-OE2 3.29Å; N570-E574 PolarHBondContact N-OE2 3.02Å; N570-K575 VanDerWaalsContact O-CE 3.3Å; N570-K575 WeakPolarHBondContact O-CE 3.32Å; N570-K575 PolarHBondContact O-NZ 3.28Å | ||
| 571 | T | 91.8 | Very high | 93 | Very high | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.104 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -82.3 | 167.7 | -179.6 | 77.8 | 0 | 0 | 0 | 0 | 112.2 | E512 I520 E574 K575 | E512-T571 VanDerWaalsContact CD-OG1 3.25Å; E512-T571 PolarHBondContact OE1-OG1 2.89Å; E512-T571 VanDerWaalsContact OE1-OG1 3.11Å; E512-T571 VanDerWaalsContact OE2-CB 3.29Å; E512-T571 WeakPolarHBondContact OE2-CB 3.4Å; E512-T571 WeakPolarHBondContact OE2-CG2 3.38Å; E512-T571 PolarHBondContact OE2-OG1 2.82Å; I520-T571 HydrophobicContact CD1-CG2 4.4Å; I520-T571 HydrophobicContact CG1-CG2 4.28Å; T571-E574 PolarHBondContact N-OE2 3.41Å; T571-E574 WeakPolarHBondContact OG1-CB 3.46Å; T571-E574 WeakPolarHBondContact OG1-CG 3.43Å; T571-E574 PolarHBondContact OG1-N 3.02Å; T571-K575 WeakPolarHBondContact O-CB 3.46Å; T571-K575 WeakPolarHBondContact O-CD 3.49Å; T571-K575 WeakPolarHBondContact O-CG 3.29Å; T571-K575 PolarHBondContact O-N 3.47Å |
| 572 | N | 92.1 | Very high | 93.1 | Very high | 128 Ų | 128 | 57.9 Ų | 57.9 | 68% | 0.684 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -68.4 | -35.8 | -179.7 | -70.6 | -9.8 | 0 | 0 | 0 | 112.4 | K575 I576 | N572-K575 PolarHBondContact O-N 2.93Å; N572-I576 WeakPolarHBondContact O-CD1 3.49Å; N572-I576 VanDerWaalsContact O-CG1 3.26Å; N572-I576 WeakPolarHBondContact O-CG1 3.04Å; N572-I576 PolarHBondContact O-N 2.99Å |
| 573 | S | 91.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 59.1 Ų | 59.1 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -73.5 | -39.7 | 177.9 | 79.7 | 0 | 0 | 0 | 0 | 111.5 | I508 E512 K575 I576 F577 | I508-S573 WeakPolarHBondContact CG2-OG 3.38Å; E512-S573 WeakPolarHBondContact OE1-CB 3.31Å; E512-S573 PolarHBondContact OE1-OG 3.49Å; E512-S573 PolarHBondContact OE2-OG 2.92Å; S573-K575 VanDerWaalsContact C-N 3.31Å; S573-K575 PolarHBondContact O-N 3.45Å; S573-I576 PolarHBondContact O-N 3.46Å; S573-F577 WeakPolarHBondContact O-CB 3.31Å; S573-F577 PolarHBondContact O-N 3.18Å |
| 574 | E | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 171.6 | -72.8 | 171.9 | 169.9 | 0 | 0 | 111.6 | W505 I508 G521 W522 P569 N570 T571 S578 | W505-E574 HydrophobicContact CH2-CB 3.79Å; W505-E574 HydrophobicContact CH2-CG 3.83Å; W505-E574 HydrophobicContact CZ3-CB 3.74Å; W505-E574 HydrophobicContact CZ3-CG 3.83Å; I508-E574 HydrophobicContact CG2-CG 4.24Å; G521-E574 VanDerWaalsContact CA-OE1 3.25Å; G521-E574 WeakPolarHBondContact CA-OE1 3.46Å; W522-E574 VanDerWaalsContact CD1-OE1 3.24Å; W522-E574 PolarHBondContact N-OE1 3.31Å; P569-E574 VanDerWaalsContact CB-C 3.47Å; P569-E574 HydrophobicContact CB-CB 3.74Å; P569-E574 WeakPolarHBondContact CB-O 3.4Å; N570-E574 WeakPolarHBondContact CA-OE2 3.29Å; N570-E574 PolarHBondContact N-OE2 3.02Å; T571-E574 PolarHBondContact N-OE2 3.41Å; T571-E574 WeakPolarHBondContact OG1-CB 3.46Å; T571-E574 WeakPolarHBondContact OG1-CG 3.43Å; T571-E574 PolarHBondContact OG1-N 3.02Å; E574-S578 WeakPolarHBondContact O-CB 3.22Å; E574-S578 PolarHBondContact O-N 3.03Å |
| 575 | K | 95 | Very high | 93.2 | Very high | 100 Ų | 100 | 53.9 Ų | 53.9 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 178.1 | -76.8 | 165.5 | 177.6 | 154.8 | 0 | 112.4 | P569 N570 T571 N572 S573 F577 S578 V579 | P569-K575 HydrophobicContact CB-CG 3.96Å; P569-K575 HydrophobicContact CG-CG 4.29Å; P569-K575 WeakPolarHBondContact O-CE 3.35Å; P569-K575 WeakPolarHBondContact O-CG 3.38Å; N570-K575 VanDerWaalsContact O-CE 3.3Å; N570-K575 WeakPolarHBondContact O-CE 3.32Å; N570-K575 PolarHBondContact O-NZ 3.28Å; T571-K575 WeakPolarHBondContact O-CB 3.46Å; T571-K575 WeakPolarHBondContact O-CD 3.49Å; T571-K575 WeakPolarHBondContact O-CG 3.29Å; T571-K575 PolarHBondContact O-N 3.47Å; N572-K575 PolarHBondContact O-N 2.93Å; S573-K575 VanDerWaalsContact C-N 3.31Å; S573-K575 PolarHBondContact O-N 3.45Å; K575-F577 VanDerWaalsContact C-N 3.34Å; K575-F577 PolarHBondContact O-N 2.98Å; K575-S578 PolarHBondContact O-N 3.34Å; K575-V579 WeakPolarHBondContact O-CG2 3.46Å; K575-V579 PolarHBondContact O-N 3.46Å |
| 576 | I | 96 | Very high | 93.3 | Very high | 116 Ų | 116 | 54.8 Ų | 54.8 | 60% | 0.595 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.4 | -45.9 | 175.7 | -69.5 | 164.2 | 0 | 0 | 0 | 110.2 | N572 S573 S578 V579 C580 | N572-I576 WeakPolarHBondContact O-CD1 3.49Å; N572-I576 VanDerWaalsContact O-CG1 3.26Å; N572-I576 WeakPolarHBondContact O-CG1 3.04Å; N572-I576 PolarHBondContact O-N 2.99Å; S573-I576 PolarHBondContact O-N 3.46Å; I576-S578 PolarHBondContact O-N 2.93Å; I576-V579 PolarHBondContact O-N 3.21Å; I576-C580 PolarHBondContact O-N 2.97Å; I576-C580 PolarHBondContact O-SG 3.04Å; I576-C580 VanDerWaalsContact O-SG 3.4Å |
| 577 | F | 95.8 | Very high | 93.5 | Very high | 23 Ų | 23 | 56.6 Ų | 56.6 | 10% | 0.101 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 175.8 | 177.7 | -95.9 | 0 | 0 | 0 | 112 | L501 I504 W505 I508 F554 S573 K575 V579 C580 V581 | L501-F577 HydrophobicContact CB-CZ 4.13Å; L501-F577 HydrophobicContact CD2-CE2 4Å; L501-F577 HydrophobicContact CD2-CZ 3.98Å; L501-F577 WeakPolarHBondContact O-CZ 3.26Å; I504-F577 HydrophobicContact CB-CE2 3.93Å; I504-F577 HydrophobicContact CB-CZ 4.29Å; I504-F577 HydrophobicContact CG2-CD2 3.97Å; I504-F577 HydrophobicContact CG2-CE2 3.45Å; I504-F577 VanDerWaalsContact CG2-CE2 3.45Å; I504-F577 HydrophobicContact CG2-CZ 4.22Å; W505-F577 HydrophobicContact CB-CE1 3.89Å; W505-F577 HydrophobicContact CB-CZ 4.22Å; W505-F577 HydrophobicContact CD2-CD1 4.35Å; W505-F577 HydrophobicContact CD2-CE1 4.22Å; W505-F577 AromaticContact CE3-CD1 3.34Å; W505-F577 HydrophobicContact CE3-CD1 3.34Å; W505-F577 AromaticContact CE3-CE1 3.62Å; W505-F577 HydrophobicContact CE3-CE1 3.62Å; W505-F577 HydrophobicContact CE3-CG 4.3Å; W505-F577 HydrophobicContact CG-CE1 4.38Å; W505-F577 AromaticContact CZ3-CD1 3.82Å; W505-F577 HydrophobicContact CZ3-CD1 3.82Å; W505-F577 HydrophobicContact CZ3-CE1 4.46Å; I508-F577 HydrophobicContact CD1-CB 3.76Å; I508-F577 HydrophobicContact CD1-CD1 4.35Å; I508-F577 HydrophobicContact CD1-CD2 3.66Å; I508-F577 HydrophobicContact CD1-CE2 4.35Å; I508-F577 HydrophobicContact CD1-CG 3.65Å; F554-F577 HydrophobicContact CE1-CE1 4.48Å; S573-F577 WeakPolarHBondContact O-CB 3.31Å; S573-F577 PolarHBondContact O-N 3.18Å; K575-F577 VanDerWaalsContact C-N 3.34Å; K575-F577 PolarHBondContact O-N 2.98Å; F577-V579 VanDerWaalsContact C-N 3.34Å; F577-V579 PolarHBondContact O-N 3.28Å; F577-C580 WeakPolarHBondContact O-CB 3.41Å; F577-C580 PolarHBondContact O-N 3.29Å; F577-C580 VanDerWaalsContact O-N 3.14Å; F577-V581 HydrophobicContact CD1-CG2 3.89Å; F577-V581 HydrophobicContact CE1-CG2 3.43Å; F577-V581 VanDerWaalsContact CE1-CG2 3.43Å; F577-V581 HydrophobicContact CE2-CG2 4.1Å; F577-V581 HydrophobicContact CG-CG2 4.43Å; F577-V581 HydrophobicContact CZ-CG2 3.55Å; F577-V581 WeakPolarHBondContact O-CG2 3.42Å; F577-V581 PolarHBondContact O-N 2.91Å |
| 578 | S | 95 | Very high | 93.4 | Very high | 13 Ų | 13 | 57.6 Ų | 57.6 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 176.7 | -172 | 0 | 0 | 0 | 0 | 112.4 | E574 K575 I576 C580 V581 M582 | E574-S578 WeakPolarHBondContact O-CB 3.22Å; E574-S578 PolarHBondContact O-N 3.03Å; K575-S578 PolarHBondContact O-N 3.34Å; I576-S578 PolarHBondContact O-N 2.93Å; S578-C580 PolarHBondContact O-N 3.47Å; S578-V581 PolarHBondContact O-N 3.24Å; S578-M582 WeakPolarHBondContact O-CG 3.36Å; S578-M582 PolarHBondContact O-N 2.91Å |
| 579 | V | 95 | Very high | 93.2 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 47% | 0.473 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 174 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | K575 I576 F577 M582 L583 | K575-V579 WeakPolarHBondContact O-CG2 3.46Å; K575-V579 PolarHBondContact O-N 3.46Å; I576-V579 PolarHBondContact O-N 3.21Å; F577-V579 VanDerWaalsContact C-N 3.34Å; F577-V579 PolarHBondContact O-N 3.28Å; V579-M582 HydrophobicContact CG2-CE 4.14Å; V579-M582 PolarHBondContact O-N 3.4Å; V579-L583 HydrophobicContact CG1-CD1 4.26Å; V579-L583 WeakPolarHBondContact O-CG 3.34Å; V579-L583 PolarHBondContact O-N 3.36Å; V579-L583 VanDerWaalsContact O-N 3.1Å |
| 580 | C | 95.4 | Very high | 93.1 | Very high | 69 Ų | 69 | 62 Ų | 62 | 47% | 0.466 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 174 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | I576 F577 S578 L583 V584 | I576-C580 PolarHBondContact O-N 2.97Å; I576-C580 PolarHBondContact O-SG 3.04Å; I576-C580 VanDerWaalsContact O-SG 3.4Å; F577-C580 WeakPolarHBondContact O-CB 3.41Å; F577-C580 PolarHBondContact O-N 3.29Å; F577-C580 VanDerWaalsContact O-N 3.14Å; S578-C580 PolarHBondContact O-N 3.47Å; C580-L583 PolarHBondContact O-N 3.34Å; C580-V584 WeakPolarHBondContact O-CG2 3.43Å; C580-V584 PolarHBondContact O-N 3.05Å |
| 581 | V | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 177.3 | 174 | 0 | 0 | 0 | 0 | 111.7 | L501 L559 F577 S578 V584 G585 | L501-V581 HydrophobicContact CD1-CG1 4.43Å; L501-V581 HydrophobicContact CD1-CG2 4.21Å; L501-V581 HydrophobicContact CD2-CG2 4.11Å; L559-V581 HydrophobicContact CD2-CG1 4.08Å; L559-V581 HydrophobicContact CG-CG1 4.14Å; F577-V581 HydrophobicContact CD1-CG2 3.89Å; F577-V581 HydrophobicContact CE1-CG2 3.43Å; F577-V581 VanDerWaalsContact CE1-CG2 3.43Å; F577-V581 HydrophobicContact CE2-CG2 4.1Å; F577-V581 HydrophobicContact CG-CG2 4.43Å; F577-V581 HydrophobicContact CZ-CG2 3.55Å; F577-V581 WeakPolarHBondContact O-CG2 3.42Å; F577-V581 PolarHBondContact O-N 2.91Å; S578-V581 PolarHBondContact O-N 3.24Å; V581-V584 PolarHBondContact O-N 3.26Å; V581-G585 PolarHBondContact O-N 3.02Å |
| 582 | M | 94.4 | Very high | 92.8 | Very high | 99 Ų | 99 | 61 Ų | 61 | 49% | 0.488 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 177 | -71.2 | -175.4 | -66.9 | 0 | 0 | 112.2 | S578 V579 G585 S586 | S578-M582 WeakPolarHBondContact O-CG 3.36Å; S578-M582 PolarHBondContact O-N 2.91Å; V579-M582 HydrophobicContact CG2-CE 4.14Å; V579-M582 PolarHBondContact O-N 3.4Å; M582-G585 PolarHBondContact O-N 3.26Å; M582-S586 PolarHBondContact O-N 2.83Å; M582-S586 PolarHBondContact O-OG 3.04Å |
| 583 | L | 94.2 | Very high | 92.6 | Very high | 108 Ų | 108 | 60.4 Ų | 60.4 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.1 | -40.7 | 175.2 | -71.3 | 171.1 | 0 | 0 | 0 | 112.6 | V579 C580 S586 L587 | V579-L583 HydrophobicContact CG1-CD1 4.26Å; V579-L583 WeakPolarHBondContact O-CG 3.34Å; V579-L583 PolarHBondContact O-N 3.36Å; V579-L583 VanDerWaalsContact O-N 3.1Å; C580-L583 PolarHBondContact O-N 3.34Å; L583-S586 PolarHBondContact O-OG 3.42Å; L583-L587 WeakPolarHBondContact O-CG 3.45Å; L583-L587 PolarHBondContact O-N 2.89Å |
| 584 | V | 92.2 | Very high | 92.6 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 173.8 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | I497 L559 C580 V581 L587 M588 | I497-V584 HydrophobicContact CG2-CG1 4.5Å; L559-V584 HydrophobicContact CD2-CG1 4.35Å; C580-V584 WeakPolarHBondContact O-CG2 3.43Å; C580-V584 PolarHBondContact O-N 3.05Å; V581-V584 PolarHBondContact O-N 3.26Å; V584-L587 PolarHBondContact O-N 3.33Å; V584-M588 HydrophobicContact CG1-CG 4.18Å; V584-M588 HydrophobicContact CG1-SD 3.68Å; V584-M588 WeakPolarHBondContact O-CB 3.28Å; V584-M588 VanDerWaalsContact O-CG 3.26Å; V584-M588 WeakPolarHBondContact O-CG 3.34Å; V584-M588 PolarHBondContact O-N 3.26Å |
| 585 | G | 92.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.4 | -49 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V581 M582 L587 M588 Y589 | V581-G585 PolarHBondContact O-N 3.02Å; M582-G585 PolarHBondContact O-N 3.26Å; G585-L587 PolarHBondContact O-N 3.21Å; G585-M588 PolarHBondContact O-N 2.92Å; G585-Y589 WeakPolarHBondContact O-CB 3.47Å; G585-Y589 PolarHBondContact O-N 2.79Å |
| 586 | S | 92.6 | Very high | 91.8 | Very high | 69 Ų | 69 | 62.5 Ų | 62.5 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | -179.9 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | M582 L583 A590 | M582-S586 PolarHBondContact O-N 2.83Å; M582-S586 PolarHBondContact O-OG 3.04Å; L583-S586 PolarHBondContact O-OG 3.42Å; S586-A590 WeakPolarHBondContact O-CB 3.24Å; S586-A590 PolarHBondContact O-N 3.34Å |
| 587 | L | 91.3 | Very high | 91.5 | Very high | 131 Ų | 131 | 59.8 Ų | 59.8 | 69% | 0.686 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.5 | -44.1 | 175.9 | -68.3 | 173 | 0 | 0 | 0 | 112.2 | L583 V584 G585 G591 | L583-L587 WeakPolarHBondContact O-CG 3.45Å; L583-L587 PolarHBondContact O-N 2.89Å; V584-L587 PolarHBondContact O-N 3.33Å; G585-L587 PolarHBondContact O-N 3.21Å; L587-G591 PolarHBondContact O-N 3.18Å |
| 588 | M | 89.3 | Confident | 91.2 | Very high | 35 Ų | 35 | 61 Ų | 61 | 17% | 0.172 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 178 | -73.2 | -174.3 | 77.2 | 0 | 0 | 112.3 | F494 I497 V584 G585 G591 I592 | F494-M588 HydrophobicContact CB-CE 4.38Å; F494-M588 HydrophobicContact CD2-CE 4.01Å; I497-M588 HydrophobicContact CB-CE 4.01Å; I497-M588 HydrophobicContact CB-SD 4.27Å; I497-M588 HydrophobicContact CD1-CE 3.43Å; I497-M588 VanDerWaalsContact CD1-CE 3.43Å; I497-M588 HydrophobicContact CD1-SD 4.01Å; I497-M588 HydrophobicContact CG1-CE 4.29Å; I497-M588 HydrophobicContact CG2-CE 4.15Å; I497-M588 HydrophobicContact CG2-SD 3.73Å; V584-M588 HydrophobicContact CG1-CG 4.18Å; V584-M588 HydrophobicContact CG1-SD 3.68Å; V584-M588 WeakPolarHBondContact O-CB 3.28Å; V584-M588 VanDerWaalsContact O-CG 3.26Å; V584-M588 WeakPolarHBondContact O-CG 3.34Å; V584-M588 PolarHBondContact O-N 3.26Å; G585-M588 PolarHBondContact O-N 2.92Å; M588-G591 PolarHBondContact O-N 3.48Å; M588-I592 WeakPolarHBondContact O-CB 3.4Å; M588-I592 WeakPolarHBondContact O-CD1 3.46Å; M588-I592 VanDerWaalsContact O-CG1 3.26Å; M588-I592 WeakPolarHBondContact O-CG1 3.37Å; M588-I592 PolarHBondContact O-N 3.16Å |
| 589 | Y | 88.5 | Confident | 90.7 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 38% | 0.384 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63 | -45 | 178.6 | -171.7 | -90.9 | 0 | 0 | 0 | 111.1 | G585 I592 F593 | G585-Y589 WeakPolarHBondContact O-CB 3.47Å; G585-Y589 PolarHBondContact O-N 2.79Å; Y589-I592 PolarHBondContact O-N 3.06Å; Y589-F593 HydrophobicContact CD1-CD2 4.03Å; Y589-F593 HydrophobicContact CD1-CE2 4.34Å; Y589-F593 HydrophobicContact CD2-CD2 4.39Å; Y589-F593 HydrophobicContact CD2-CE2 4.17Å; Y589-F593 AromaticContact CE1-CD2 3.73Å; Y589-F593 HydrophobicContact CE1-CD2 3.73Å; Y589-F593 AromaticContact CE1-CE2 3.72Å; Y589-F593 HydrophobicContact CE1-CE2 3.72Å; Y589-F593 HydrophobicContact CE1-CG 4.45Å; Y589-F593 HydrophobicContact CE1-CZ 4.41Å; Y589-F593 HydrophobicContact CE2-CD2 4.13Å; Y589-F593 AromaticContact CE2-CE2 3.53Å; Y589-F593 HydrophobicContact CE2-CE2 3.53Å; Y589-F593 HydrophobicContact CE2-CZ 4.38Å; Y589-F593 HydrophobicContact CG-CD2 4.35Å; Y589-F593 AromaticContact CZ-CD2 3.79Å; Y589-F593 AromaticContact CZ-CE2 3.26Å; Y589-F593 AromaticContact CZ-CZ 3.86Å; Y589-F593 WeakPolarHBondContact O-CD2 3.41Å; Y589-F593 PolarHBondContact O-N 2.94Å; Y589-F593 WeakPolarHBondContact OH-CE2 3.49Å; Y589-F593 WeakPolarHBondContact OH-CZ 3.21Å |
| 590 | A | 91.5 | Very high | 90.3 | Very high | 62 Ų | 62 | 62 Ų | 62 | 51% | 0.512 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S586 I592 F593 G594 | S586-A590 WeakPolarHBondContact O-CB 3.24Å; S586-A590 PolarHBondContact O-N 3.34Å; A590-I592 PolarHBondContact O-N 3.41Å; A590-F593 PolarHBondContact O-N 2.91Å; A590-G594 PolarHBondContact O-N 3.48Å |
| 591 | G | 87.4 | Confident | 89.9 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L587 M588 H595 | L587-G591 PolarHBondContact O-N 3.18Å; M588-G591 PolarHBondContact O-N 3.48Å; G591-H595 PolarHBondContact O-CD2 3.3Å; G591-H595 PolarHBondContact O-N 2.89Å |
| 592 | I | 88.3 | Confident | 89.4 | Confident | 16 Ų | 16 | 73 Ų | 73 | 8% | 0.082 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.5 | -51.9 | 174.6 | -75.8 | 163.7 | 0 | 0 | 0 | 111.1 | L490 M491 F494 M588 Y589 A590 G594 H595 V596 | L490-I592 HydrophobicContact CD2-CB 4.45Å; L490-I592 HydrophobicContact CD2-CG1 3.91Å; L490-I592 HydrophobicContact CG-CG1 3.96Å; M491-I592 HydrophobicContact CE-CB 4.42Å; M491-I592 HydrophobicContact CE-CD1 4.05Å; M491-I592 HydrophobicContact CE-CG1 3.99Å; M491-I592 HydrophobicContact CE-CG2 3.55Å; F494-I592 HydrophobicContact CB-CD1 4Å; F494-I592 HydrophobicContact CD2-CD1 3.55Å; F494-I592 HydrophobicContact CE2-CD1 4.23Å; F494-I592 HydrophobicContact CG-CD1 3.88Å; M588-I592 WeakPolarHBondContact O-CB 3.4Å; M588-I592 WeakPolarHBondContact O-CD1 3.46Å; M588-I592 VanDerWaalsContact O-CG1 3.26Å; M588-I592 WeakPolarHBondContact O-CG1 3.37Å; M588-I592 PolarHBondContact O-N 3.16Å; Y589-I592 PolarHBondContact O-N 3.06Å; A590-I592 PolarHBondContact O-N 3.41Å; I592-G594 PolarHBondContact O-N 3.09Å; I592-H595 PolarHBondContact O-N 3.28Å; I592-V596 HydrophobicContact CG2-CG2 4.5Å; I592-V596 WeakPolarHBondContact O-CG2 3.33Å; I592-V596 PolarHBondContact O-N 3.05Å |
| 593 | F | 89 | Confident | 88.8 | Confident | 115 Ų | 115 | 74.5 Ų | 74.5 | 50% | 0.504 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | -178.9 | -89.4 | -99.3 | 0 | 0 | 0 | 112.6 | Y589 A590 V596 S597 | Y589-F593 HydrophobicContact CD1-CD2 4.03Å; Y589-F593 HydrophobicContact CD1-CE2 4.34Å; Y589-F593 HydrophobicContact CD2-CD2 4.39Å; Y589-F593 HydrophobicContact CD2-CE2 4.17Å; Y589-F593 AromaticContact CE1-CD2 3.73Å; Y589-F593 HydrophobicContact CE1-CD2 3.73Å; Y589-F593 AromaticContact CE1-CE2 3.72Å; Y589-F593 HydrophobicContact CE1-CE2 3.72Å; Y589-F593 HydrophobicContact CE1-CG 4.45Å; Y589-F593 HydrophobicContact CE1-CZ 4.41Å; Y589-F593 HydrophobicContact CE2-CD2 4.13Å; Y589-F593 AromaticContact CE2-CE2 3.53Å; Y589-F593 HydrophobicContact CE2-CE2 3.53Å; Y589-F593 HydrophobicContact CE2-CZ 4.38Å; Y589-F593 HydrophobicContact CG-CD2 4.35Å; Y589-F593 AromaticContact CZ-CD2 3.79Å; Y589-F593 AromaticContact CZ-CE2 3.26Å; Y589-F593 AromaticContact CZ-CZ 3.86Å; Y589-F593 WeakPolarHBondContact O-CD2 3.41Å; Y589-F593 PolarHBondContact O-N 2.94Å; Y589-F593 WeakPolarHBondContact OH-CE2 3.49Å; Y589-F593 WeakPolarHBondContact OH-CZ 3.21Å; A590-F593 PolarHBondContact O-N 2.91Å; F593-V596 PolarHBondContact O-N 3.06Å; F593-S597 WeakPolarHBondContact O-CB 3.27Å; F593-S597 PolarHBondContact O-N 3.18Å |
| 594 | G | 90.5 | Very high | 88.5 | Confident | 45 Ų | 45 | 76.4 Ų | 76.4 | 46% | 0.464 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A590 I592 S597 A598 | A590-G594 PolarHBondContact O-N 3.48Å; I592-G594 PolarHBondContact O-N 3.09Å; G594-S597 PolarHBondContact O-N 3.13Å; G594-A598 PolarHBondContact O-N 3.26Å |
| 595 | H | 86.5 | Confident | 88.2 | Confident | 95 Ų | 95 | 77 Ų | 77 | 44% | 0.44 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 177.2 | -77.7 | -56.2 | 0 | 0 | 0 | 113.3 | L490 G591 I592 A598 I599 | L490-H595 HydrophobicContact CD2-CB 3.8Å; G591-H595 PolarHBondContact O-CD2 3.3Å; G591-H595 PolarHBondContact O-N 2.89Å; I592-H595 PolarHBondContact O-N 3.28Å; H595-A598 PolarHBondContact O-N 2.86Å; H595-I599 WeakPolarHBondContact O-CB 3.38Å; H595-I599 WeakPolarHBondContact O-CD1 3.48Å; H595-I599 VanDerWaalsContact O-CG1 3.24Å; H595-I599 WeakPolarHBondContact O-CG1 3.46Å; H595-I599 PolarHBondContact O-N 3.29Å |
| 596 | V | 87.7 | Confident | 87.7 | Confident | 45 Ų | 45 | 78.7 Ų | 78.7 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 174.8 | 169 | 0 | 0 | 0 | 0 | 110.7 | L487 I592 F593 I599 I600 | L487-V596 HydrophobicContact CD1-CG2 3.68Å; I592-V596 HydrophobicContact CG2-CG2 4.5Å; I592-V596 WeakPolarHBondContact O-CG2 3.33Å; I592-V596 PolarHBondContact O-N 3.05Å; F593-V596 PolarHBondContact O-N 3.06Å; V596-I599 PolarHBondContact O-N 3.29Å; V596-I600 HydrophobicContact CG1-CD1 3.8Å; V596-I600 WeakPolarHBondContact O-CG1 3.35Å; V596-I600 PolarHBondContact O-N 2.91Å |
| 597 | S | 90.1 | Very high | 87.6 | Confident | 59 Ų | 59 | 78.8 Ų | 78.8 | 41% | 0.413 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59 | -49.3 | 176.9 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | F593 G594 I599 I600 Q601 | F593-S597 WeakPolarHBondContact O-CB 3.27Å; F593-S597 PolarHBondContact O-N 3.18Å; G594-S597 PolarHBondContact O-N 3.13Å; S597-I599 VanDerWaalsContact C-N 3.31Å; S597-I599 PolarHBondContact O-N 2.89Å; S597-I600 PolarHBondContact O-N 2.73Å; S597-Q601 WeakPolarHBondContact O-CG 3.49Å; S597-Q601 PolarHBondContact O-N 3.47Å |
| 598 | A | 87.6 | Confident | 87.5 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.4 | -34.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G594 H595 R602 | G594-A598 PolarHBondContact O-N 3.26Å; H595-A598 PolarHBondContact O-N 2.86Å; A598-R602 WeakPolarHBondContact O-CB 3.29Å; A598-R602 PolarHBondContact O-N 3.11Å |
| 599 | I | 85.3 | Confident | 87.5 | Confident | 26 Ų | 26 | 79.9 Ų | 79.9 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 175 | -71.7 | 166.2 | 0 | 0 | 0 | 110.9 | G483 L487 H595 V596 S597 R602 L603 | G483-I599 WeakPolarHBondContact O-CD1 3.31Å; L487-I599 HydrophobicContact CB-CD1 3.92Å; H595-I599 WeakPolarHBondContact O-CB 3.38Å; H595-I599 WeakPolarHBondContact O-CD1 3.48Å; H595-I599 VanDerWaalsContact O-CG1 3.24Å; H595-I599 WeakPolarHBondContact O-CG1 3.46Å; H595-I599 PolarHBondContact O-N 3.29Å; V596-I599 PolarHBondContact O-N 3.29Å; S597-I599 VanDerWaalsContact C-N 3.31Å; S597-I599 PolarHBondContact O-N 2.89Å; I599-R602 PolarHBondContact O-N 2.91Å; I599-L603 HydrophobicContact CG2-CD1 3.84Å; I599-L603 HydrophobicContact CG2-CG 4.35Å; I599-L603 WeakPolarHBondContact O-CB 3.21Å; I599-L603 VanDerWaalsContact O-CG 3.28Å; I599-L603 WeakPolarHBondContact O-CG 3.34Å; I599-L603 PolarHBondContact O-N 3.36Å |
| 600 | I | 86.4 | Confident | 87.7 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.5 | -49.1 | 175.6 | -69.5 | 166.6 | 0 | 0 | 0 | 110.2 | V596 S597 R602 L603 Y604 | V596-I600 HydrophobicContact CG1-CD1 3.8Å; V596-I600 WeakPolarHBondContact O-CG1 3.35Å; V596-I600 PolarHBondContact O-N 2.91Å; S597-I600 PolarHBondContact O-N 2.73Å; I600-R602 VanDerWaalsContact C-N 3.33Å; I600-R602 PolarHBondContact O-N 3.45Å; I600-L603 PolarHBondContact O-N 3.47Å; I600-Y604 HydrophobicContact CG2-CD2 3.9Å; I600-Y604 HydrophobicContact CG2-CE2 4.2Å; I600-Y604 WeakPolarHBondContact O-CD2 3.39Å; I600-Y604 PolarHBondContact O-N 2.9Å |
| 601 | Q | 87.8 | Confident | 87.8 | Confident | 136 Ų | 136 | 79.1 Ų | 79.1 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -56.8 | -45 | 175.7 | -71.4 | 174.5 | -16.8 | 0 | 0 | 112.1 | S597 S605 | S597-Q601 WeakPolarHBondContact O-CG 3.49Å; S597-Q601 PolarHBondContact O-N 3.47Å; Q601-S605 PolarHBondContact O-N 3.44Å; Q601-S605 VanDerWaalsContact O-N 3.1Å |
| 602 | R | 83.3 | Confident | 88 | Confident | 163 Ų | 163 | 79.7 Ų | 79.7 | 62% | 0.615 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 177.8 | -174.4 | 174.1 | 176.6 | -170.1 | -3.6 | 112.5 | A598 I599 I600 S605 | A598-R602 WeakPolarHBondContact O-CB 3.29Å; A598-R602 PolarHBondContact O-N 3.11Å; I599-R602 PolarHBondContact O-N 2.91Å; I600-R602 VanDerWaalsContact C-N 3.33Å; I600-R602 PolarHBondContact O-N 3.45Å; R602-S605 WeakPolarHBondContact O-CB 3.32Å; R602-S605 PolarHBondContact O-OG 3.15Å |
| 603 | L | 81.7 | Confident | 88.2 | Confident | 130 Ų | 130 | 82 Ų | 82 | 68% | 0.681 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.1 | -43.5 | 179.1 | -74.1 | 169.3 | 0 | 0 | 0 | 112.5 | I599 I600 S605 | I599-L603 HydrophobicContact CG2-CD1 3.84Å; I599-L603 HydrophobicContact CG2-CG 4.35Å; I599-L603 WeakPolarHBondContact O-CB 3.21Å; I599-L603 VanDerWaalsContact O-CG 3.28Å; I599-L603 WeakPolarHBondContact O-CG 3.34Å; I599-L603 PolarHBondContact O-N 3.36Å; I600-L603 PolarHBondContact O-N 3.47Å; L603-S605 VanDerWaalsContact C-N 3.34Å |
| 604 | Y | 87.9 | Confident | 88.4 | Confident | 149 Ų | 149 | 77.1 Ų | 77.1 | 58% | 0.584 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -86 | -0.2 | -178.9 | -72 | -73.1 | 0 | 0 | 0 | 114.6 | I600 G606 T607 A608 | I600-Y604 HydrophobicContact CG2-CD2 3.9Å; I600-Y604 HydrophobicContact CG2-CE2 4.2Å; I600-Y604 WeakPolarHBondContact O-CD2 3.39Å; I600-Y604 PolarHBondContact O-N 2.9Å; Y604-G606 VanDerWaalsContact C-N 3.35Å; Y604-G606 PolarHBondContact O-N 3.47Å; Y604-T607 PolarHBondContact O-N 3.08Å; Y604-T607 VanDerWaalsContact O-N 3.08Å; Y604-A608 WeakPolarHBondContact O-CB 3.34Å; Y604-A608 PolarHBondContact O-N 3.09Å |
| 605 | S | 86.8 | Confident | 88.6 | Confident | 71 Ų | 71 | 80.5 Ų | 80.5 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -51.5 | -44.5 | -176.3 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | Q601 R602 L603 A608 R609 | Q601-S605 PolarHBondContact O-N 3.44Å; Q601-S605 VanDerWaalsContact O-N 3.1Å; R602-S605 WeakPolarHBondContact O-CB 3.32Å; R602-S605 PolarHBondContact O-OG 3.15Å; L603-S605 VanDerWaalsContact C-N 3.34Å; S605-A608 PolarHBondContact O-N 3.44Å; S605-R609 PolarHBondContact O-N 3Å |
| 606 | G | 83.2 | Confident | 89 | Confident | 38 Ų | 38 | 84.5 Ų | 84.5 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y604 R609 Y610 | Y604-G606 VanDerWaalsContact C-N 3.35Å; Y604-G606 PolarHBondContact O-N 3.47Å; G606-R609 PolarHBondContact O-N 3.32Å; G606-Y610 PolarHBondContact O-N 2.95Å |
| 607 | T | 88.8 | Confident | 89.3 | Confident | 71 Ų | 71 | 84 Ų | 84 | 44% | 0.436 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 177.2 | -46.2 | 0 | 0 | 0 | 0 | 111.8 | Y604 Y610 H611 | Y604-T607 PolarHBondContact O-N 3.08Å; Y604-T607 VanDerWaalsContact O-N 3.08Å; T607-Y610 PolarHBondContact O-N 3.33Å; T607-H611 PolarHBondContact O-CD2 3.45Å; T607-H611 PolarHBondContact O-N 2.8Å |
| 608 | A | 90 | Very high | 89.5 | Confident | 59 Ų | 59 | 85.8 Ų | 85.8 | 49% | 0.488 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y604 S605 H611 A612 | Y604-A608 WeakPolarHBondContact O-CB 3.34Å; Y604-A608 PolarHBondContact O-N 3.09Å; S605-A608 PolarHBondContact O-N 3.44Å; A608-H611 PolarHBondContact O-N 3.47Å; A608-A612 WeakPolarHBondContact O-CB 3.48Å; A608-A612 PolarHBondContact O-N 3.01Å |
| 609 | R | 89.8 | Confident | 89.8 | Confident | 130 Ų | 130 | 90 Ų | 90 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 174.9 | -174.3 | 177.9 | 165.4 | 139 | -8.1 | 112.1 | S605 G606 A612 Q613 W642 | S605-R609 PolarHBondContact O-N 3Å; G606-R609 PolarHBondContact O-N 3.32Å; R609-A612 PolarHBondContact O-N 2.99Å; R609-Q613 WeakPolarHBondContact O-CG 3.45Å; R609-Q613 PolarHBondContact O-N 2.83Å; R609-W642 HydrophobicContact CB-CH2 4.07Å; R609-W642 HydrophobicContact CG-CH2 3.79Å; R609-W642 HydrophobicContact CG-CZ3 4.32Å |
| 610 | Y | 91.5 | Very high | 90.3 | Very high | 46 Ų | 46 | 94 Ų | 94 | 18% | 0.18 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -56.3 | -52.5 | 173.2 | 171.9 | -112 | 0 | 0 | 0 | 111.7 | G606 T607 A612 Q613 M614 F638 W642 | G606-Y610 PolarHBondContact O-N 2.95Å; T607-Y610 PolarHBondContact O-N 3.33Å; Y610-A612 PolarHBondContact O-N 2.89Å; Y610-Q613 PolarHBondContact O-N 2.98Å; Y610-M614 HydrophobicContact CE2-CE 4.28Å; Y610-M614 VanDerWaalsContact O-CB 3.29Å; Y610-M614 WeakPolarHBondContact O-CB 3.41Å; Y610-M614 PolarHBondContact O-N 3.07Å; Y610-M614 WeakPolarHBondContact OH-CE 3.35Å; Y610-F638 AromaticContact CD2-CE1 3.88Å; Y610-F638 HydrophobicContact CD2-CE1 3.88Å; Y610-F638 HydrophobicContact CE2-CD1 4.25Å; Y610-F638 AromaticContact CE2-CE1 3.73Å; Y610-F638 HydrophobicContact CE2-CE1 3.73Å; Y610-W642 HydrophobicContact CD2-CB 4.3Å; Y610-W642 AromaticContact CD2-CD1 3.56Å; Y610-W642 AromaticContact CD2-CD2 3.7Å; Y610-W642 HydrophobicContact CD2-CD2 3.7Å; Y610-W642 AromaticContact CD2-CE2 3.83Å; Y610-W642 HydrophobicContact CD2-CE3 4.4Å; Y610-W642 AromaticContact CD2-CG 3.58Å; Y610-W642 HydrophobicContact CD2-CG 3.58Å; Y610-W642 AromaticContact CD2-NE1 3.71Å; Y610-W642 HydrophobicContact CE2-CB 4.39Å; Y610-W642 HydrophobicContact CE2-CG 4.09Å; Y610-W642 HydrophobicContact CG-CD2 4.45Å |
| 611 | H | 93.2 | Very high | 90.7 | Very high | 97 Ų | 97 | 90.4 Ų | 90.4 | 45% | 0.449 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | -179.1 | -73.7 | -52.9 | 0 | 0 | 0 | 112.7 | T607 A608 M614 L615 | T607-H611 PolarHBondContact O-CD2 3.45Å; T607-H611 PolarHBondContact O-N 2.8Å; A608-H611 PolarHBondContact O-N 3.47Å; H611-M614 PolarHBondContact O-N 3.27Å; H611-L615 WeakPolarHBondContact O-CB 3.25Å; H611-L615 VanDerWaalsContact O-CG 3.24Å; H611-L615 WeakPolarHBondContact O-CG 3.37Å; H611-L615 PolarHBondContact O-N 3.45Å |
| 612 | A | 93.3 | Very high | 91.1 | Very high | 47 Ų | 47 | 94 Ų | 94 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A608 R609 Y610 R616 | A608-A612 WeakPolarHBondContact O-CB 3.48Å; A608-A612 PolarHBondContact O-N 3.01Å; R609-A612 PolarHBondContact O-N 2.99Å; Y610-A612 PolarHBondContact O-N 2.89Å; A612-R616 WeakPolarHBondContact O-CG 3.49Å; A612-R616 PolarHBondContact O-N 3.29Å |
| 613 | Q | 91.6 | Very high | 91.6 | Very high | 63 Ų | 63 | 94.1 Ų | 94.1 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.8 | -42.5 | 175.7 | -71.6 | -170.8 | -10 | 0 | 0 | 112.4 | R609 Y610 L615 R616 V617 F638 W642 | R609-Q613 WeakPolarHBondContact O-CG 3.45Å; R609-Q613 PolarHBondContact O-N 2.83Å; Y610-Q613 PolarHBondContact O-N 2.98Å; Q613-L615 VanDerWaalsContact C-N 3.26Å; Q613-L615 PolarHBondContact O-N 3.1Å; Q613-R616 WeakPolarHBondContact O-CB 3.29Å; Q613-R616 PolarHBondContact O-N 3.24Å; Q613-R616 VanDerWaalsContact O-N 3.14Å; Q613-V617 WeakPolarHBondContact O-CG2 3.37Å; Q613-V617 PolarHBondContact O-N 3.43Å; Q613-F638 HydrophobicContact CB-CE2 4.06Å; Q613-F638 HydrophobicContact CB-CZ 3.55Å; Q613-W642 VanDerWaalsContact OE1-CZ3 3.28Å |
| 614 | M | 92.5 | Very high | 92.3 | Very high | 13 Ų | 13 | 93 Ų | 93 | 6% | 0.064 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.8 | -35.1 | 174.1 | 175.3 | 59.8 | 75.1 | 0 | 0 | 112.2 | Y610 H611 K618 F638 Q639 | Y610-M614 HydrophobicContact CE2-CE 4.28Å; Y610-M614 VanDerWaalsContact O-CB 3.29Å; Y610-M614 WeakPolarHBondContact O-CB 3.41Å; Y610-M614 PolarHBondContact O-N 3.07Å; Y610-M614 WeakPolarHBondContact OH-CE 3.35Å; H611-M614 PolarHBondContact O-N 3.27Å; M614-K618 HydrophobicContact CG-CD 4.33Å; M614-K618 WeakPolarHBondContact O-CB 3.35Å; M614-K618 WeakPolarHBondContact O-CG 3.3Å; M614-K618 PolarHBondContact O-N 3.46Å; M614-K618 HydrophobicContact SD-CD 4.15Å; M614-K618 HydrophobicContact SD-CG 4.34Å; M614-F638 HydrophobicContact CB-CE1 4.18Å; M614-F638 HydrophobicContact CE-CD1 3.63Å; M614-F638 HydrophobicContact CE-CE1 4.18Å; M614-Q639 HydrophobicContact CE-CG 3.84Å |
| 615 | L | 95.6 | Very high | 92.6 | Very high | 117 Ų | 117 | 94.3 Ų | 94.3 | 61% | 0.613 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.5 | -46.6 | 172.8 | -76.7 | 167.7 | 0 | 0 | 0 | 111.6 | H611 Q613 V617 K618 E619 | H611-L615 WeakPolarHBondContact O-CB 3.25Å; H611-L615 VanDerWaalsContact O-CG 3.24Å; H611-L615 WeakPolarHBondContact O-CG 3.37Å; H611-L615 PolarHBondContact O-N 3.45Å; Q613-L615 VanDerWaalsContact C-N 3.26Å; Q613-L615 PolarHBondContact O-N 3.1Å; L615-V617 VanDerWaalsContact C-N 3.32Å; L615-V617 PolarHBondContact O-N 3.05Å; L615-K618 PolarHBondContact O-N 3.05Å; L615-K618 VanDerWaalsContact O-N 3.13Å; L615-E619 WeakPolarHBondContact O-CB 3.26Å; L615-E619 PolarHBondContact O-N 3.02Å |
| 616 | R | 95 | Very high | 93 | Very high | 179 Ų | 179 | 92.1 Ų | 92.1 | 68% | 0.675 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.4 | -41.1 | 174.5 | -68.4 | 174 | -176.2 | -171.8 | -0.6 | 112.3 | A612 Q613 E619 F620 | A612-R616 WeakPolarHBondContact O-CG 3.49Å; A612-R616 PolarHBondContact O-N 3.29Å; Q613-R616 WeakPolarHBondContact O-CB 3.29Å; Q613-R616 PolarHBondContact O-N 3.24Å; Q613-R616 VanDerWaalsContact O-N 3.14Å; R616-E619 PolarHBondContact O-N 2.84Å; R616-F620 WeakPolarHBondContact O-CB 3.39Å; R616-F620 PolarHBondContact O-N 2.77Å |
| 617 | V | 93.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 94.2 Ų | 94.2 | 21% | 0.206 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.8 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | Q613 L615 F620 I621 F638 | Q613-V617 WeakPolarHBondContact O-CG2 3.37Å; Q613-V617 PolarHBondContact O-N 3.43Å; L615-V617 VanDerWaalsContact C-N 3.32Å; L615-V617 PolarHBondContact O-N 3.05Å; V617-F620 PolarHBondContact O-N 3.25Å; V617-I621 HydrophobicContact CG1-CD1 3.75Å; V617-I621 WeakPolarHBondContact O-CB 3.42Å; V617-I621 WeakPolarHBondContact O-CD1 3.21Å; V617-I621 VanDerWaalsContact O-CG1 3.24Å; V617-I621 WeakPolarHBondContact O-CG1 3.33Å; V617-I621 PolarHBondContact O-N 3.1Å; V617-F638 HydrophobicContact CG2-CD2 4.04Å; V617-F638 HydrophobicContact CG2-CE2 4.39Å; V617-F638 HydrophobicContact CG2-CG 4.36Å |
| 618 | K | 94.4 | Very high | 93.7 | Very high | 96 Ų | 96 | 96.8 Ų | 96.8 | 42% | 0.417 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.5 | -33.5 | 177.9 | -75.9 | 176.4 | 171.8 | 179.1 | 0 | 113.5 | M614 L615 R622 E635 | M614-K618 HydrophobicContact CG-CD 4.33Å; M614-K618 WeakPolarHBondContact O-CB 3.35Å; M614-K618 WeakPolarHBondContact O-CG 3.3Å; M614-K618 PolarHBondContact O-N 3.46Å; M614-K618 HydrophobicContact SD-CD 4.15Å; M614-K618 HydrophobicContact SD-CG 4.34Å; L615-K618 PolarHBondContact O-N 3.05Å; L615-K618 VanDerWaalsContact O-N 3.13Å; K618-R622 WeakPolarHBondContact O-CB 3.48Å; K618-R622 PolarHBondContact O-N 3.25Å; K618-E635 WeakPolarHBondContact CE-OE1 3.06Å; K618-E635 IonicContact NZ-OE1 3.65Å |
| 619 | E | 94.8 | Very high | 93.8 | Very high | 137 Ų | 137 | 98.9 Ų | 98.9 | 64% | 0.64 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.4 | -46.3 | 173.6 | -176.2 | 163.2 | -138.4 | 0 | 0 | 111.3 | L615 R616 I621 R622 F623 | L615-E619 WeakPolarHBondContact O-CB 3.26Å; L615-E619 PolarHBondContact O-N 3.02Å; R616-E619 PolarHBondContact O-N 2.84Å; E619-I621 PolarHBondContact O-N 2.96Å; E619-R622 PolarHBondContact O-N 2.68Å; E619-R622 VanDerWaalsContact O-N 3.16Å; E619-F623 WeakPolarHBondContact O-CB 3.41Å; E619-F623 PolarHBondContact O-N 3.17Å |
| 620 | F | 95.4 | Very high | 93.8 | Very high | 111 Ų | 111 | 96 Ų | 96 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.3 | -47 | 172.2 | 178.5 | -96 | 0 | 0 | 0 | 112.3 | R616 V617 R622 F623 H624 I626 | R616-F620 WeakPolarHBondContact O-CB 3.39Å; R616-F620 PolarHBondContact O-N 2.77Å; V617-F620 PolarHBondContact O-N 3.25Å; F620-R622 VanDerWaalsContact C-N 3.31Å; F620-R622 PolarHBondContact O-N 3.08Å; F620-F623 PolarHBondContact O-N 3.11Å; F620-H624 AromaticContact CD2-CD2 3.49Å; F620-H624 VanDerWaalsContact CD2-CD2 3.49Å; F620-H624 WeakPolarHBondContact CD2-CD2 3.47Å; F620-H624 AromaticContact CD2-NE2 3.72Å; F620-H624 AromaticContact CE2-CD2 3.29Å; F620-H624 WeakPolarHBondContact CE2-CD2 3.26Å; F620-H624 AromaticContact CE2-NE2 3.32Å; F620-H624 VanDerWaalsContact CE2-NE2 3.32Å; F620-H624 WeakPolarHBondContact CE2-NE2 3.33Å; F620-H624 AromaticContact CZ-CD2 3.68Å; F620-H624 PolarHBondContact O-CD2 3.16Å; F620-H624 PolarHBondContact O-N 3.17Å; F620-I626 HydrophobicContact CD1-CD1 3.9Å; F620-I626 HydrophobicContact CE1-CD1 3.66Å |
| 621 | I | 95 | Very high | 93.8 | Very high | 12 Ų | 12 | 97 Ų | 97 | 6% | 0.062 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 175 | -75.5 | 163.3 | 0 | 0 | 0 | 111.8 | V617 E619 Q625 I626 K631 L634 E635 | V617-I621 HydrophobicContact CG1-CD1 3.75Å; V617-I621 WeakPolarHBondContact O-CB 3.42Å; V617-I621 WeakPolarHBondContact O-CD1 3.21Å; V617-I621 VanDerWaalsContact O-CG1 3.24Å; V617-I621 WeakPolarHBondContact O-CG1 3.33Å; V617-I621 PolarHBondContact O-N 3.1Å; E619-I621 PolarHBondContact O-N 2.96Å; I621-Q625 PolarHBondContact O-N 3.3Å; I621-I626 HydrophobicContact CG1-CB 4.5Å; I621-I626 HydrophobicContact CG1-CD1 4.1Å; I621-I626 HydrophobicContact CG2-CB 4.3Å; I621-I626 PolarHBondContact O-N 2.93Å; I621-K631 HydrophobicContact CD1-CG 4.28Å; I621-K631 HydrophobicContact CG2-CB 4.09Å; I621-K631 HydrophobicContact CG2-CD 3.86Å; I621-K631 HydrophobicContact CG2-CG 3.87Å; I621-L634 HydrophobicContact CD1-CB 4.21Å; I621-L634 HydrophobicContact CD1-CD1 4.31Å; I621-L634 HydrophobicContact CG1-CD1 4.1Å; I621-E635 HydrophobicContact CD1-CG 4.16Å |
| 622 | R | 94.7 | Very high | 93.7 | Very high | 212 Ų | 212 | 100 Ų | 100 | 80% | 0.8 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71 | -41.9 | 177.6 | -177.2 | -178.5 | -179.8 | -172.4 | -0.2 | 112.2 | K618 E619 F620 Q625 | K618-R622 WeakPolarHBondContact O-CB 3.48Å; K618-R622 PolarHBondContact O-N 3.25Å; E619-R622 PolarHBondContact O-N 2.68Å; E619-R622 VanDerWaalsContact O-N 3.16Å; F620-R622 VanDerWaalsContact C-N 3.31Å; F620-R622 PolarHBondContact O-N 3.08Å; R622-Q625 PolarHBondContact O-N 3.36Å |
| 623 | F | 95.5 | Very high | 93.4 | Very high | 164 Ų | 164 | 102.8 Ų | 102.8 | 72% | 0.719 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.1 | -47.2 | -177.5 | -178.3 | -97.5 | 0 | 0 | 0 | 111.6 | E619 F620 Q625 | E619-F623 WeakPolarHBondContact O-CB 3.41Å; E619-F623 PolarHBondContact O-N 3.17Å; F620-F623 PolarHBondContact O-N 3.11Å; F623-Q625 VanDerWaalsContact C-N 3.28Å; F623-Q625 PolarHBondContact O-N 2.81Å |
| 624 | H | 95.7 | Very high | 93.3 | Very high | 107 Ų | 107 | 102.6 Ų | 102.6 | 50% | 0.495 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 7 | 177.2 | -66.9 | -71.8 | 0 | 0 | 0 | 114.3 | F620 I626 | F620-H624 AromaticContact CD2-CD2 3.49Å; F620-H624 VanDerWaalsContact CD2-CD2 3.49Å; F620-H624 WeakPolarHBondContact CD2-CD2 3.47Å; F620-H624 AromaticContact CD2-NE2 3.72Å; F620-H624 AromaticContact CE2-CD2 3.29Å; F620-H624 WeakPolarHBondContact CE2-CD2 3.26Å; F620-H624 AromaticContact CE2-NE2 3.32Å; F620-H624 VanDerWaalsContact CE2-NE2 3.32Å; F620-H624 WeakPolarHBondContact CE2-NE2 3.33Å; F620-H624 AromaticContact CZ-CD2 3.68Å; F620-H624 PolarHBondContact O-CD2 3.16Å; F620-H624 PolarHBondContact O-N 3.17Å; H624-I626 HydrophobicContact CB-CD1 4.3Å; H624-I626 HydrophobicContact CB-CG1 3.84Å; H624-I626 PolarHBondContact O-N 3.05Å |
| 625 | Q | 94.7 | Very high | 93.2 | Very high | 176 Ų | 176 | 103.6 Ų | 103.6 | 82% | 0.822 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 40.3 | -179.4 | -56.5 | -172.5 | -2.1 | 0 | 0 | 113.8 | I621 R622 F623 | I621-Q625 PolarHBondContact O-N 3.3Å; R622-Q625 PolarHBondContact O-N 3.36Å; F623-Q625 VanDerWaalsContact C-N 3.28Å; F623-Q625 PolarHBondContact O-N 2.81Å |
| 626 | I | 94.2 | Very high | 92.8 | Very high | 26 Ų | 26 | 102.3 Ų | 102.3 | 13% | 0.133 | 47% | 0.47 | C | S | . | . | trans | -62 | 128.1 | -169.6 | -62.3 | -172.9 | 0 | 0 | 0 | 110.9 | F620 I621 H624 L630 K631 L634 | F620-I626 HydrophobicContact CD1-CD1 3.9Å; F620-I626 HydrophobicContact CE1-CD1 3.66Å; I621-I626 HydrophobicContact CG1-CB 4.5Å; I621-I626 HydrophobicContact CG1-CD1 4.1Å; I621-I626 HydrophobicContact CG2-CB 4.3Å; I621-I626 PolarHBondContact O-N 2.93Å; H624-I626 HydrophobicContact CB-CD1 4.3Å; H624-I626 HydrophobicContact CB-CG1 3.84Å; H624-I626 PolarHBondContact O-N 3.05Å; I626-L630 HydrophobicContact CG2-CB 3.86Å; I626-L630 HydrophobicContact CG2-CD2 3.94Å; I626-L630 HydrophobicContact CG2-CG 3.76Å; I626-K631 HydrophobicContact CG2-CB 4.44Å; I626-L634 HydrophobicContact CD1-CD1 3.92Å; I626-L634 HydrophobicContact CG2-CD1 4.15Å | ||
| 627 | P | 95.2 | Very high | 92.3 | Very high | 81 Ų | 81 | 98.8 Ų | 98.8 | 53% | 0.526 | 46% | 0.46 | S | S | . | . | trans | -65.4 | 145.7 | -174.4 | 26.1 | -35.4 | 0 | 0 | 0 | 112.3 | P629 L630 K631 | P627-P629 VanDerWaalsContact C-CD 3.46Å; P627-P629 VanDerWaalsContact O-N 3.12Å; P627-L630 HydrophobicContact CG-CB 4.39Å; P627-L630 PolarHBondContact O-N 3.45Å; P627-K631 PolarHBondContact O-N 2.99Å | ||
| 628 | N | 92.3 | Very high | 92 | Very high | 126 Ų | 126 | 98.7 Ų | 98.7 | 67% | 0.674 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -42.4 | -45.6 | -175.3 | -75.9 | -36 | 0 | 0 | 0 | 116.7 | R632 | N628-R632 WeakPolarHBondContact O-CB 3.35Å; N628-R632 PolarHBondContact O-N 3.45Å |
| 629 | P | 91.4 | Very high | 91.8 | Very high | 103 Ų | 103 | 97.5 Ų | 97.5 | 67% | 0.669 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 176.9 | 22.6 | -34.1 | 0 | 0 | 0 | 113.3 | P627 R632 R633 | P627-P629 VanDerWaalsContact C-CD 3.46Å; P627-P629 VanDerWaalsContact O-N 3.12Å; P629-R632 PolarHBondContact O-N 3.04Å; P629-R633 PolarHBondContact O-N 3.5Å; P629-R633 VanDerWaalsContact O-N 3.17Å |
| 630 | L | 90.2 | Very high | 91.1 | Very high | 68 Ų | 68 | 94.2 Ų | 94.2 | 36% | 0.356 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -73 | -38.5 | 178.5 | -178.7 | 55.7 | 0 | 0 | 0 | 111.4 | I626 P627 R632 R633 L634 | I626-L630 HydrophobicContact CG2-CB 3.86Å; I626-L630 HydrophobicContact CG2-CD2 3.94Å; I626-L630 HydrophobicContact CG2-CG 3.76Å; P627-L630 HydrophobicContact CG-CB 4.39Å; P627-L630 PolarHBondContact O-N 3.45Å; L630-R632 VanDerWaalsContact C-N 3.31Å; L630-R632 PolarHBondContact O-N 3.21Å; L630-R633 PolarHBondContact O-N 3.19Å; L630-L634 HydrophobicContact CD1-CG 4.4Å; L630-L634 HydrophobicContact CG-CD1 4.23Å; L630-L634 WeakPolarHBondContact O-CG 3.46Å; L630-L634 PolarHBondContact O-N 2.97Å |
| 631 | K | 91.3 | Very high | 90.5 | Very high | 69 Ų | 69 | 90.4 Ų | 90.4 | 30% | 0.3 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -52.6 | -49.7 | 169.7 | 164.2 | 179.4 | 178.4 | -169.3 | 0 | 111.2 | I621 I626 P627 L634 E635 | I621-K631 HydrophobicContact CD1-CG 4.28Å; I621-K631 HydrophobicContact CG2-CB 4.09Å; I621-K631 HydrophobicContact CG2-CD 3.86Å; I621-K631 HydrophobicContact CG2-CG 3.87Å; I626-K631 HydrophobicContact CG2-CB 4.44Å; P627-K631 PolarHBondContact O-N 2.99Å; K631-L634 PolarHBondContact O-N 3.39Å; K631-E635 WeakPolarHBondContact CE-OE1 3.22Å; K631-E635 WeakPolarHBondContact CE-OE2 3.45Å; K631-E635 HydrophobicContact CG-CG 4.47Å; K631-E635 WeakPolarHBondContact O-CG 3.21Å; K631-E635 PolarHBondContact O-N 3.5Å |
| 632 | R | 90.7 | Very high | 90.1 | Very high | 158 Ų | 158 | 91.8 Ų | 91.8 | 60% | 0.596 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.6 | -48.7 | -178.6 | -179.9 | 177.2 | 174.4 | 162.4 | 6.8 | 110.9 | N628 P629 L630 L634 E635 E636 | N628-R632 WeakPolarHBondContact O-CB 3.35Å; N628-R632 PolarHBondContact O-N 3.45Å; P629-R632 PolarHBondContact O-N 3.04Å; L630-R632 VanDerWaalsContact C-N 3.31Å; L630-R632 PolarHBondContact O-N 3.21Å; R632-L634 VanDerWaalsContact C-N 3.31Å; R632-L634 PolarHBondContact O-N 3.14Å; R632-E635 PolarHBondContact O-N 2.88Å; R632-E636 HydrophobicContact CG-CG 4.33Å; R632-E636 WeakPolarHBondContact CG-OE2 3.23Å; R632-E636 IonicContact CZ-OE1 3.49Å; R632-E636 IonicContact NE-OE1 2.88Å; R632-E636 PolarHBondContact NE-OE1 3.45Å; R632-E636 IonicContact NE-OE2 3.65Å; R632-E636 PolarHBondContact NE-OE2 2.9Å; R632-E636 IonicContact NH2-OE1 3.88Å; R632-E636 PolarHBondContact NH2-OE1 2.94Å; R632-E636 WeakPolarHBondContact O-CB 3.21Å; R632-E636 WeakPolarHBondContact O-CG 3.37Å; R632-E636 PolarHBondContact O-N 3.18Å |
| 633 | R | 87.2 | Confident | 89.7 | Confident | 107 Ų | 107 | 85.3 Ų | 85.3 | 40% | 0.404 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58 | -40.2 | 176.5 | -174.1 | 172.7 | 170 | -152.6 | -10.5 | 112.3 | P629 L630 F637 D704 | P629-R633 PolarHBondContact O-N 3.5Å; P629-R633 VanDerWaalsContact O-N 3.17Å; L630-R633 PolarHBondContact O-N 3.19Å; R633-F637 WeakPolarHBondContact O-CB 3.14Å; R633-F637 PolarHBondContact O-N 3.38Å; R633-D704 VanDerWaalsContact CZ-CG 3.49Å; R633-D704 IonicContact CZ-OD1 2.76Å; R633-D704 VanDerWaalsContact CZ-OD1 3.26Å; R633-D704 IonicContact CZ-OD2 3.35Å; R633-D704 VanDerWaalsContact NE-CG 3.31Å; R633-D704 IonicContact NE-OD1 3.47Å; R633-D704 PolarHBondContact NE-OD1 3.03Å; R633-D704 IonicContact NE-OD2 3.04Å; R633-D704 PolarHBondContact NE-OD2 3.41Å; R633-D704 IonicContact NH2-OD1 2.67Å; R633-D704 PolarHBondContact NH2-OD1 3.26Å; R633-D704 IonicContact NH2-OD2 3.55Å; R633-D704 PolarHBondContact NH2-OD2 3.48Å |
| 634 | L | 89.2 | Confident | 88.9 | Confident | 58 Ų | 58 | 83.4 Ų | 83.4 | 30% | 0.304 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 174.6 | -72.4 | 167 | 0 | 0 | 0 | 112.9 | I621 I626 L630 K631 R632 F638 | I621-L634 HydrophobicContact CD1-CB 4.21Å; I621-L634 HydrophobicContact CD1-CD1 4.31Å; I621-L634 HydrophobicContact CG1-CD1 4.1Å; I626-L634 HydrophobicContact CD1-CD1 3.92Å; I626-L634 HydrophobicContact CG2-CD1 4.15Å; L630-L634 HydrophobicContact CD1-CG 4.4Å; L630-L634 HydrophobicContact CG-CD1 4.23Å; L630-L634 WeakPolarHBondContact O-CG 3.46Å; L630-L634 PolarHBondContact O-N 2.97Å; K631-L634 PolarHBondContact O-N 3.39Å; R632-L634 VanDerWaalsContact C-N 3.31Å; R632-L634 PolarHBondContact O-N 3.14Å; L634-F638 WeakPolarHBondContact O-CB 3.02Å; L634-F638 PolarHBondContact O-N 2.92Å |
| 635 | E | 91.3 | Very high | 88.3 | Confident | 34 Ų | 34 | 80.1 Ų | 80.1 | 16% | 0.159 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 178.9 | -72.5 | -178.3 | 158 | 0 | 0 | 111.8 | K618 I621 K631 R632 Q639 | K618-E635 WeakPolarHBondContact CE-OE1 3.06Å; K618-E635 IonicContact NZ-OE1 3.65Å; I621-E635 HydrophobicContact CD1-CG 4.16Å; K631-E635 WeakPolarHBondContact CE-OE1 3.22Å; K631-E635 WeakPolarHBondContact CE-OE2 3.45Å; K631-E635 HydrophobicContact CG-CG 4.47Å; K631-E635 WeakPolarHBondContact O-CG 3.21Å; K631-E635 PolarHBondContact O-N 3.5Å; R632-E635 PolarHBondContact O-N 2.88Å; E635-Q639 VanDerWaalsContact O-CG 3.29Å; E635-Q639 WeakPolarHBondContact O-CG 3.17Å; E635-Q639 PolarHBondContact O-N 3.06Å; E635-Q639 PolarHBondContact O-NE2 2.95Å |
| 636 | E | 87.2 | Confident | 87.7 | Confident | 91 Ų | 91 | 77.6 Ų | 77.6 | 43% | 0.425 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.8 | -45.5 | 175.8 | -72.6 | 173.5 | 158.3 | 0 | 0 | 111.8 | R632 F638 Q639 H640 | R632-E636 HydrophobicContact CG-CG 4.33Å; R632-E636 WeakPolarHBondContact CG-OE2 3.23Å; R632-E636 IonicContact CZ-OE1 3.49Å; R632-E636 IonicContact NE-OE1 2.88Å; R632-E636 PolarHBondContact NE-OE1 3.45Å; R632-E636 IonicContact NE-OE2 3.65Å; R632-E636 PolarHBondContact NE-OE2 2.9Å; R632-E636 IonicContact NH2-OE1 3.88Å; R632-E636 PolarHBondContact NH2-OE1 2.94Å; R632-E636 WeakPolarHBondContact O-CB 3.21Å; R632-E636 WeakPolarHBondContact O-CG 3.37Å; R632-E636 PolarHBondContact O-N 3.18Å; E636-F638 PolarHBondContact O-N 3.48Å; E636-Q639 PolarHBondContact O-N 3.28Å; E636-H640 PolarHBondContact O-N 3.39Å |
| 637 | F | 83.8 | Confident | 87 | Confident | 104 Ų | 104 | 77 Ų | 77 | 46% | 0.456 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 175.1 | 173.7 | -95.3 | 0 | 0 | 0 | 112 | R633 Q639 H640 A641 | R633-F637 WeakPolarHBondContact O-CB 3.14Å; R633-F637 PolarHBondContact O-N 3.38Å; F637-Q639 VanDerWaalsContact C-N 3.34Å; F637-Q639 PolarHBondContact O-N 2.95Å; F637-H640 PolarHBondContact O-N 3.49Å; F637-A641 HydrophobicContact CE1-CB 4.42Å; F637-A641 HydrophobicContact CZ-CB 4.46Å; F637-A641 VanDerWaalsContact O-CB 3.31Å; F637-A641 WeakPolarHBondContact O-CB 3.2Å; F637-A641 PolarHBondContact O-N 2.94Å |
| 638 | F | 88.1 | Confident | 86.5 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 179.6 | -178.5 | -90.6 | 0 | 0 | 0 | 112 | Y610 Q613 M614 V617 L634 E636 W642 | Y610-F638 AromaticContact CD2-CE1 3.88Å; Y610-F638 HydrophobicContact CD2-CE1 3.88Å; Y610-F638 HydrophobicContact CE2-CD1 4.25Å; Y610-F638 AromaticContact CE2-CE1 3.73Å; Y610-F638 HydrophobicContact CE2-CE1 3.73Å; Q613-F638 HydrophobicContact CB-CE2 4.06Å; Q613-F638 HydrophobicContact CB-CZ 3.55Å; M614-F638 HydrophobicContact CB-CE1 4.18Å; M614-F638 HydrophobicContact CE-CD1 3.63Å; M614-F638 HydrophobicContact CE-CE1 4.18Å; V617-F638 HydrophobicContact CG2-CD2 4.04Å; V617-F638 HydrophobicContact CG2-CE2 4.39Å; V617-F638 HydrophobicContact CG2-CG 4.36Å; L634-F638 WeakPolarHBondContact O-CB 3.02Å; L634-F638 PolarHBondContact O-N 2.92Å; E636-F638 PolarHBondContact O-N 3.48Å; F638-W642 HydrophobicContact CZ-CE3 4.1Å; F638-W642 WeakPolarHBondContact O-CB 3.48Å; F638-W642 PolarHBondContact O-N 3.44Å |
| 639 | Q | 89.6 | Confident | 86.1 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 34% | 0.336 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 175.6 | -78.5 | 171.9 | 86.1 | 0 | 0 | 112.3 | M614 E635 E636 F637 S643 | M614-Q639 HydrophobicContact CE-CG 3.84Å; E635-Q639 VanDerWaalsContact O-CG 3.29Å; E635-Q639 WeakPolarHBondContact O-CG 3.17Å; E635-Q639 PolarHBondContact O-N 3.06Å; E635-Q639 PolarHBondContact O-NE2 2.95Å; E636-Q639 PolarHBondContact O-N 3.28Å; F637-Q639 VanDerWaalsContact C-N 3.34Å; F637-Q639 PolarHBondContact O-N 2.95Å; Q639-S643 WeakPolarHBondContact O-CB 3.43Å; Q639-S643 PolarHBondContact O-N 3.46Å; Q639-S643 PolarHBondContact O-OG 3.4Å |
| 640 | H | 81.5 | Confident | 85.6 | Confident | 67 Ų | 67 | 75.1 Ų | 75.1 | 31% | 0.31 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.4 | -46.5 | 178.3 | -176.4 | -94.3 | 0 | 0 | 0 | 112.3 | E636 F637 W642 S643 Y644 Y764 | E636-H640 PolarHBondContact O-N 3.39Å; F637-H640 PolarHBondContact O-N 3.49Å; H640-W642 VanDerWaalsContact C-N 3.3Å; H640-W642 PolarHBondContact O-N 2.91Å; H640-S643 PolarHBondContact O-N 3.43Å; H640-S643 PolarHBondContact O-OG 3.19Å; H640-S643 VanDerWaalsContact O-OG 3.08Å; H640-Y644 WeakPolarHBondContact O-CB 3.4Å; H640-Y644 PolarHBondContact O-N 3.24Å; H640-Y764 AromaticContact CD2-CE1 3.82Å; H640-Y764 AromaticContact CE1-CD1 3.94Å; H640-Y764 AromaticContact NE2-CD1 3.74Å; H640-Y764 AromaticContact NE2-CE1 3.72Å |
| 641 | A | 81.4 | Confident | 85.3 | Confident | 31 Ų | 31 | 76 Ų | 76 | 26% | 0.256 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F637 T645 | F637-A641 HydrophobicContact CE1-CB 4.42Å; F637-A641 HydrophobicContact CZ-CB 4.46Å; F637-A641 VanDerWaalsContact O-CB 3.31Å; F637-A641 WeakPolarHBondContact O-CB 3.2Å; F637-A641 PolarHBondContact O-N 2.94Å; A641-T645 WeakPolarHBondContact O-CB 3.27Å; A641-T645 WeakPolarHBondContact O-CG2 3.44Å; A641-T645 PolarHBondContact O-N 3.46Å; A641-T645 PolarHBondContact O-OG1 3.07Å |
| 642 | W | 86.5 | Confident | 85.1 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 16% | 0.159 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 176.3 | -175.3 | -84.2 | 0 | 0 | 0 | 112.8 | R609 Y610 Q613 F638 H640 N646 G647 | R609-W642 HydrophobicContact CB-CH2 4.07Å; R609-W642 HydrophobicContact CG-CH2 3.79Å; R609-W642 HydrophobicContact CG-CZ3 4.32Å; Y610-W642 HydrophobicContact CD2-CB 4.3Å; Y610-W642 AromaticContact CD2-CD1 3.56Å; Y610-W642 AromaticContact CD2-CD2 3.7Å; Y610-W642 HydrophobicContact CD2-CD2 3.7Å; Y610-W642 AromaticContact CD2-CE2 3.83Å; Y610-W642 HydrophobicContact CD2-CE3 4.4Å; Y610-W642 AromaticContact CD2-CG 3.58Å; Y610-W642 HydrophobicContact CD2-CG 3.58Å; Y610-W642 AromaticContact CD2-NE1 3.71Å; Y610-W642 HydrophobicContact CE2-CB 4.39Å; Y610-W642 HydrophobicContact CE2-CG 4.09Å; Y610-W642 HydrophobicContact CG-CD2 4.45Å; Q613-W642 VanDerWaalsContact OE1-CZ3 3.28Å; F638-W642 HydrophobicContact CZ-CE3 4.1Å; F638-W642 WeakPolarHBondContact O-CB 3.48Å; F638-W642 PolarHBondContact O-N 3.44Å; H640-W642 VanDerWaalsContact C-N 3.3Å; H640-W642 PolarHBondContact O-N 2.91Å; W642-N646 WeakPolarHBondContact O-CA 3.36Å; W642-N646 PolarHBondContact O-N 3.1Å; W642-G647 VanDerWaalsContact CZ3-CA 3.46Å; W642-G647 PolarHBondContact O-N 3.39Å |
| 643 | S | 86 | Confident | 85 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 53% | 0.531 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.4 | -34.7 | 179.6 | 66 | 0 | 0 | 0 | 0 | 112.6 | Q639 H640 | Q639-S643 WeakPolarHBondContact O-CB 3.43Å; Q639-S643 PolarHBondContact O-N 3.46Å; Q639-S643 PolarHBondContact O-OG 3.4Å; H640-S643 PolarHBondContact O-N 3.43Å; H640-S643 PolarHBondContact O-OG 3.19Å; H640-S643 VanDerWaalsContact O-OG 3.08Å |
| 644 | Y | 79.3 | Confident | 85 | Confident | 123 Ų | 123 | 69.8 Ų | 69.8 | 48% | 0.482 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.6 | -50.5 | 174.2 | -173.1 | -91.8 | 0 | 0 | 0 | 112.3 | H640 H699 | H640-Y644 WeakPolarHBondContact O-CB 3.4Å; H640-Y644 PolarHBondContact O-N 3.24Å; Y644-H699 AromaticContact CE1-CD2 3.95Å; Y644-H699 AromaticContact CE1-CE1 3.77Å; Y644-H699 AromaticContact CE1-NE2 3.39Å; Y644-H699 WeakPolarHBondContact CE1-NE2 3.38Å; Y644-H699 AromaticContact CZ-CE1 3.42Å; Y644-H699 VanDerWaalsContact CZ-CE1 3.42Å; Y644-H699 AromaticContact CZ-NE2 3.57Å; Y644-H699 PolarHBondContact OH-CE1 3.48Å |
| 645 | T | 82.9 | Confident | 84.9 | Confident | 39 Ų | 39 | 74.2 Ų | 74.2 | 24% | 0.239 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -82 | -13.2 | -177.2 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | A641 G647 I648 M650 | A641-T645 WeakPolarHBondContact O-CB 3.27Å; A641-T645 WeakPolarHBondContact O-CG2 3.44Å; A641-T645 PolarHBondContact O-N 3.46Å; A641-T645 PolarHBondContact O-OG1 3.07Å; T645-G647 PolarHBondContact O-N 3.14Å; T645-G647 PolarHBondContact OG1-N 3.42Å; T645-G647 VanDerWaalsContact OG1-N 3.14Å; T645-I648 VanDerWaalsContact O-CB 3.31Å; T645-I648 WeakPolarHBondContact O-CB 3.3Å; T645-I648 WeakPolarHBondContact O-CG1 3.35Å; T645-I648 PolarHBondContact O-N 3.27Å; T645-M650 HydrophobicContact CG2-CE 4.45Å |
| 646 | N | 82.5 | Confident | 84.8 | Confident | 122 Ų | 122 | 77 Ų | 77 | 65% | 0.652 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 25.3 | -163.7 | -67.2 | -92.4 | 0 | 0 | 0 | 113.6 | W642 I648 | W642-N646 WeakPolarHBondContact O-CA 3.36Å; W642-N646 PolarHBondContact O-N 3.1Å; N646-I648 VanDerWaalsContact C-N 3.31Å |
| 647 | G | 80 | Confident | 84.9 | Confident | 13 Ų | 13 | 75.8 Ų | 75.8 | 13% | 0.134 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 12.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | W642 T645 | W642-G647 VanDerWaalsContact CZ3-CA 3.46Å; W642-G647 PolarHBondContact O-N 3.39Å; T645-G647 PolarHBondContact O-N 3.14Å; T645-G647 PolarHBondContact OG1-N 3.42Å; T645-G647 VanDerWaalsContact OG1-N 3.14Å |
| 648 | I | 85 | Confident | 85.3 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | trans | -85.2 | 127.2 | 177.9 | -56.6 | 173.1 | 0 | 0 | 0 | 109.9 | T645 N646 M650 V653 | T645-I648 VanDerWaalsContact O-CB 3.31Å; T645-I648 WeakPolarHBondContact O-CB 3.3Å; T645-I648 WeakPolarHBondContact O-CG1 3.35Å; T645-I648 PolarHBondContact O-N 3.27Å; N646-I648 VanDerWaalsContact C-N 3.31Å; I648-M650 HydrophobicContact CG2-SD 4.49Å; I648-M650 PolarHBondContact O-N 3.01Å; I648-V653 HydrophobicContact CG2-CG2 3.78Å | ||
| 649 | D | 82.5 | Confident | 85.3 | Confident | 79 Ų | 79 | 79.5 Ų | 79.5 | 42% | 0.422 | 41% | 0.414 | S | S | . | . | trans | -81 | 110.7 | 168.5 | 179.7 | -19.1 | 0 | 0 | 0 | 109.5 | N651 L652 V653 | D649-N651 VanDerWaalsContact C-N 3.34Å; D649-N651 PolarHBondContact O-N 2.88Å; D649-N651 WeakPolarHBondContact OD1-CB 3.42Å; D649-N651 PolarHBondContact OD1-N 3.2Å; D649-L652 HydrophobicContact CB-CB 3.88Å; D649-L652 PolarHBondContact OD1-N 3.41Å; D649-V653 WeakPolarHBondContact O-CG2 3.39Å; D649-V653 PolarHBondContact O-N 3.37Å | ||
| 650 | M | 82.1 | Confident | 85.2 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 49% | 0.493 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.5 | -34.3 | -178.3 | -58.3 | -61.2 | 178.9 | 0 | 0 | 112.4 | T645 I648 V653 L654 | T645-M650 HydrophobicContact CG2-CE 4.45Å; I648-M650 HydrophobicContact CG2-SD 4.49Å; I648-M650 PolarHBondContact O-N 3.01Å; M650-V653 PolarHBondContact O-N 3.43Å; M650-L654 WeakPolarHBondContact O-CG 3.44Å; M650-L654 PolarHBondContact O-N 2.8Å |
| 651 | N | 83.7 | Confident | 85.7 | Confident | 88 Ų | 88 | 79.7 Ų | 79.7 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72.7 | -41 | -177.8 | -67.1 | -16.1 | 0 | 0 | 0 | 110.6 | D649 V653 L654 R655 | D649-N651 VanDerWaalsContact C-N 3.34Å; D649-N651 PolarHBondContact O-N 2.88Å; D649-N651 WeakPolarHBondContact OD1-CB 3.42Å; D649-N651 PolarHBondContact OD1-N 3.2Å; N651-V653 VanDerWaalsContact C-N 3.32Å; N651-V653 PolarHBondContact O-N 2.87Å; N651-L654 PolarHBondContact O-N 3.45Å; N651-R655 WeakPolarHBondContact O-CB 3.19Å; N651-R655 VanDerWaalsContact O-CG 3.32Å; N651-R655 WeakPolarHBondContact O-CG 3.44Å; N651-R655 PolarHBondContact O-N 2.71Å |
| 652 | L | 86.5 | Confident | 86.1 | Confident | 106 Ų | 106 | 80.3 Ų | 80.3 | 56% | 0.555 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.4 | -38.3 | 172.9 | -177 | 62.8 | 0 | 0 | 0 | 112.1 | D649 S656 | D649-L652 HydrophobicContact CB-CB 3.88Å; D649-L652 PolarHBondContact OD1-N 3.41Å; L652-S656 PolarHBondContact O-N 3.04Å; L652-S656 PolarHBondContact O-OG 2.96Å |
| 653 | V | 88.3 | Confident | 86.4 | Confident | 67 Ų | 67 | 78.6 Ų | 78.6 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 175.2 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | I648 D649 M650 N651 R655 S656 F657 | I648-V653 HydrophobicContact CG2-CG2 3.78Å; D649-V653 WeakPolarHBondContact O-CG2 3.39Å; D649-V653 PolarHBondContact O-N 3.37Å; M650-V653 PolarHBondContact O-N 3.43Å; N651-V653 VanDerWaalsContact C-N 3.32Å; N651-V653 PolarHBondContact O-N 2.87Å; V653-R655 PolarHBondContact O-N 3.38Å; V653-S656 VanDerWaalsContact O-CB 3.28Å; V653-S656 WeakPolarHBondContact O-CB 3.46Å; V653-S656 PolarHBondContact O-N 3.08Å; V653-S656 VanDerWaalsContact O-N 3.12Å; V653-F657 HydrophobicContact CG1-CE2 4.02Å; V653-F657 VanDerWaalsContact O-CD2 3.23Å; V653-F657 WeakPolarHBondContact O-CD2 3.26Å; V653-F657 WeakPolarHBondContact O-CE2 3.39Å |
| 654 | L | 87.3 | Confident | 86.6 | Confident | 30 Ų | 30 | 77.9 Ų | 77.9 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 176.9 | -75.3 | 168.1 | 0 | 0 | 0 | 111.8 | M650 N651 S656 F657 Q662 I665 | M650-L654 WeakPolarHBondContact O-CG 3.44Å; M650-L654 PolarHBondContact O-N 2.8Å; N651-L654 PolarHBondContact O-N 3.45Å; L654-S656 PolarHBondContact O-N 2.9Å; L654-F657 PolarHBondContact O-N 3.13Å; L654-Q662 VanDerWaalsContact O-CG 3.27Å; L654-Q662 WeakPolarHBondContact O-CG 3.46Å; L654-Q662 PolarHBondContact O-NE2 2.89Å; L654-I665 HydrophobicContact CD2-CB 4.12Å; L654-I665 HydrophobicContact CD2-CD1 4.47Å; L654-I665 HydrophobicContact CD2-CG2 3.69Å |
| 655 | R | 88.4 | Confident | 87.2 | Confident | 151 Ų | 151 | 74.9 Ų | 74.9 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.5 | 175.6 | -74.1 | 171.8 | 169.2 | -163.9 | -6 | 114.4 | N651 V653 F657 E861 | N651-R655 WeakPolarHBondContact O-CB 3.19Å; N651-R655 VanDerWaalsContact O-CG 3.32Å; N651-R655 WeakPolarHBondContact O-CG 3.44Å; N651-R655 PolarHBondContact O-N 2.71Å; V653-R655 PolarHBondContact O-N 3.38Å; R655-F657 VanDerWaalsContact C-N 3.28Å; R655-F657 PolarHBondContact O-N 3.09Å; R655-E861 IonicContact CZ-OE1 2.76Å; R655-E861 IonicContact CZ-OE2 3.99Å; R655-E861 IonicContact NH1-OE2 3.37Å; R655-E861 PolarHBondContact NH1-OE2 2.85Å; R655-E861 VanDerWaalsContact NH2-CD 3.28Å; R655-E861 IonicContact NH2-OE1 2.76Å; R655-E861 PolarHBondContact NH2-OE1 3.34Å; R655-E861 IonicContact NH2-OE2 3.21Å; R655-E861 PolarHBondContact NH2-OE2 3Å |
| 656 | S | 88.7 | Confident | 87.6 | Confident | 92 Ų | 92 | 73.6 Ų | 73.6 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.3 | 174.7 | -56.2 | 0 | 0 | 0 | 0 | 114 | L652 V653 L654 | L652-S656 PolarHBondContact O-N 3.04Å; L652-S656 PolarHBondContact O-OG 2.96Å; V653-S656 VanDerWaalsContact O-CB 3.28Å; V653-S656 WeakPolarHBondContact O-CB 3.46Å; V653-S656 PolarHBondContact O-N 3.08Å; V653-S656 VanDerWaalsContact O-N 3.12Å; L654-S656 PolarHBondContact O-N 2.9Å |
| 657 | F | 89.9 | Confident | 88.1 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 29% | 0.289 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -115.6 | 153.1 | 179 | -61.2 | -74.6 | 0 | 0 | 0 | 111.8 | V653 L654 R655 L661 Q662 I665 | V653-F657 HydrophobicContact CG1-CE2 4.02Å; V653-F657 VanDerWaalsContact O-CD2 3.23Å; V653-F657 WeakPolarHBondContact O-CD2 3.26Å; V653-F657 WeakPolarHBondContact O-CE2 3.39Å; L654-F657 PolarHBondContact O-N 3.13Å; R655-F657 VanDerWaalsContact C-N 3.28Å; R655-F657 PolarHBondContact O-N 3.09Å; F657-L661 HydrophobicContact CB-CB 4.13Å; F657-L661 HydrophobicContact CD1-CD1 4.47Å; F657-Q662 HydrophobicContact CB-CG 4.28Å; F657-Q662 PolarHBondContact O-NE2 3.31Å; F657-I665 HydrophobicContact CD2-CD1 3.85Å; F657-I665 HydrophobicContact CE2-CD1 4.12Å; F657-I665 HydrophobicContact CG-CD1 4.24Å |
| 658 | P | 91 | Very high | 88.6 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 41% | 0.409 | 39% | 0.39 | S | S | . | . | trans | -65.2 | 151.1 | 170.5 | 29.1 | -36.2 | 0 | 0 | 0 | 111.4 | V236 C660 L661 Q662 | V236-P658 HydrophobicContact CG1-CG 4.36Å; P658-C660 VanDerWaalsContact C-N 3.26Å; P658-C660 PolarHBondContact O-N 2.95Å; P658-C660 VanDerWaalsContact O-N 3.09Å; P658-L661 HydrophobicContact CG-CB 4.29Å; P658-L661 HydrophobicContact CG-CD1 4Å; P658-L661 HydrophobicContact CG-CG 4.18Å; P658-L661 WeakPolarHBondContact O-CA 3.46Å; P658-L661 PolarHBondContact O-N 3.34Å; P658-Q662 PolarHBondContact O-N 2.77Å | ||
| 659 | E | 88.2 | Confident | 88.7 | Confident | 151 Ų | 151 | 75.2 Ų | 75.2 | 71% | 0.706 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -48.7 | -40.6 | -174.2 | -65.5 | 170.7 | 179.5 | 0 | 0 | 114.2 | L661 Q662 A663 | E659-L661 VanDerWaalsContact C-N 3.28Å; E659-L661 PolarHBondContact O-N 3.3Å; E659-Q662 WeakPolarHBondContact O-CB 3.32Å; E659-Q662 PolarHBondContact O-N 3.44Å; E659-Q662 VanDerWaalsContact O-N 3.16Å; E659-A663 WeakPolarHBondContact O-CB 3.37Å; E659-A663 PolarHBondContact O-N 3.47Å |
| 660 | C | 88.2 | Confident | 89 | Confident | 86 Ų | 86 | 71.6 Ų | 71.6 | 58% | 0.581 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.9 | -37.6 | 177.6 | -48.6 | 0 | 0 | 0 | 0 | 112.7 | P658 D664 | P658-C660 VanDerWaalsContact C-N 3.26Å; P658-C660 PolarHBondContact O-N 2.95Å; P658-C660 VanDerWaalsContact O-N 3.09Å; C660-D664 PolarHBondContact O-N 2.95Å |
| 661 | L | 90.5 | Very high | 89.3 | Confident | 57 Ų | 57 | 72.5 Ų | 72.5 | 30% | 0.298 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -80 | -33 | 175.2 | -71 | -179.5 | 0 | 0 | 0 | 111.9 | V236 F657 P658 E659 A663 D664 I665 | V236-L661 HydrophobicContact CG1-CD1 4.26Å; F657-L661 HydrophobicContact CB-CB 4.13Å; F657-L661 HydrophobicContact CD1-CD1 4.47Å; P658-L661 HydrophobicContact CG-CB 4.29Å; P658-L661 HydrophobicContact CG-CD1 4Å; P658-L661 HydrophobicContact CG-CG 4.18Å; P658-L661 WeakPolarHBondContact O-CA 3.46Å; P658-L661 PolarHBondContact O-N 3.34Å; E659-L661 VanDerWaalsContact C-N 3.28Å; E659-L661 PolarHBondContact O-N 3.3Å; L661-A663 VanDerWaalsContact C-N 3.32Å; L661-D664 PolarHBondContact O-N 2.92Å; L661-I665 WeakPolarHBondContact O-CB 3.38Å; L661-I665 WeakPolarHBondContact O-CD1 3.16Å; L661-I665 WeakPolarHBondContact O-CG1 3.3Å; L661-I665 PolarHBondContact O-N 2.88Å |
| 662 | Q | 91.8 | Very high | 89.3 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.3 | -47.5 | 170.8 | -62.9 | -176.9 | 27.1 | 0 | 0 | 110.5 | L654 F657 P658 E659 D664 I665 C666 L693 | L654-Q662 VanDerWaalsContact O-CG 3.27Å; L654-Q662 WeakPolarHBondContact O-CG 3.46Å; L654-Q662 PolarHBondContact O-NE2 2.89Å; F657-Q662 HydrophobicContact CB-CG 4.28Å; F657-Q662 PolarHBondContact O-NE2 3.31Å; P658-Q662 PolarHBondContact O-N 2.77Å; E659-Q662 WeakPolarHBondContact O-CB 3.32Å; E659-Q662 PolarHBondContact O-N 3.44Å; E659-Q662 VanDerWaalsContact O-N 3.16Å; Q662-D664 PolarHBondContact O-N 2.84Å; Q662-I665 PolarHBondContact O-N 3Å; Q662-C666 WeakPolarHBondContact O-CB 3.44Å; Q662-C666 PolarHBondContact O-N 3.35Å; Q662-C666 PolarHBondContact O-SG 2.7Å; Q662-C666 VanDerWaalsContact O-SG 3.32Å; Q662-L693 HydrophobicContact CB-CD2 3.89Å |
| 663 | A | 91 | Very high | 89.3 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | E659 L661 C666 L667 R689 L693 | E659-A663 WeakPolarHBondContact O-CB 3.37Å; E659-A663 PolarHBondContact O-N 3.47Å; L661-A663 VanDerWaalsContact C-N 3.32Å; A663-C666 PolarHBondContact O-N 2.92Å; A663-L667 WeakPolarHBondContact O-CB 3.3Å; A663-L667 PolarHBondContact O-N 3.41Å; A663-R689 HydrophobicContact CB-CB 4Å; A663-R689 HydrophobicContact CB-CG 3.95Å; A663-L693 HydrophobicContact CB-CD1 4.06Å; A663-L693 HydrophobicContact CB-CD2 4.28Å; A663-L693 HydrophobicContact CB-CG 4.1Å |
| 664 | D | 91.6 | Very high | 89.3 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 32% | 0.321 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.4 | -30.9 | 178 | -74.5 | -15.1 | 0 | 0 | 0 | 113.1 | C660 L661 Q662 H668 R689 | C660-D664 PolarHBondContact O-N 2.95Å; L661-D664 PolarHBondContact O-N 2.92Å; Q662-D664 PolarHBondContact O-N 2.84Å; D664-H668 PolarHBondContact O-N 3.16Å; D664-H668 VanDerWaalsContact O-N 3.14Å; D664-R689 IonicContact OD1-CZ 3.8Å; D664-R689 IonicContact OD1-NE 2.62Å; D664-R689 PolarHBondContact OD1-NE 2.97Å; D664-R689 IonicContact OD1-NH2 2.78Å; D664-R689 PolarHBondContact OD1-NH2 3.25Å; D664-R689 IonicContact OD2-CZ 2.68Å; D664-R689 IonicContact OD2-NH2 2.62Å; D664-R689 PolarHBondContact OD2-NH2 2.97Å |
| 665 | I | 91.9 | Very high | 89.2 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.7 | -50 | 170.9 | -69 | 162.7 | 0 | 0 | 0 | 110.1 | L654 F657 L661 Q662 L667 H668 L669 | L654-I665 HydrophobicContact CD2-CB 4.12Å; L654-I665 HydrophobicContact CD2-CD1 4.47Å; L654-I665 HydrophobicContact CD2-CG2 3.69Å; F657-I665 HydrophobicContact CD2-CD1 3.85Å; F657-I665 HydrophobicContact CE2-CD1 4.12Å; F657-I665 HydrophobicContact CG-CD1 4.24Å; L661-I665 WeakPolarHBondContact O-CB 3.38Å; L661-I665 WeakPolarHBondContact O-CD1 3.16Å; L661-I665 WeakPolarHBondContact O-CG1 3.3Å; L661-I665 PolarHBondContact O-N 2.88Å; Q662-I665 PolarHBondContact O-N 3Å; I665-L667 VanDerWaalsContact C-N 3.31Å; I665-L667 PolarHBondContact O-N 2.91Å; I665-H668 WeakPolarHBondContact O-CA 3.28Å; I665-H668 WeakPolarHBondContact O-CB 3.39Å; I665-H668 PolarHBondContact O-N 3.2Å; I665-L669 HydrophobicContact CG2-CD1 4.15Å; I665-L669 HydrophobicContact CG2-CG 4.45Å; I665-L669 WeakPolarHBondContact O-CG 3.37Å; I665-L669 PolarHBondContact O-N 3.19Å |
| 666 | C | 91.6 | Very high | 89 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 8% | 0.081 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 179.8 | -65.5 | 0 | 0 | 0 | 0 | 112 | Q662 A663 H668 L669 N670 A692 | Q662-C666 WeakPolarHBondContact O-CB 3.44Å; Q662-C666 PolarHBondContact O-N 3.35Å; Q662-C666 PolarHBondContact O-SG 2.7Å; Q662-C666 VanDerWaalsContact O-SG 3.32Å; A663-C666 PolarHBondContact O-N 2.92Å; C666-H668 VanDerWaalsContact C-N 3.28Å; C666-H668 PolarHBondContact O-N 3.19Å; C666-L669 PolarHBondContact O-N 2.91Å; C666-N670 WeakPolarHBondContact O-CB 3.46Å; C666-N670 PolarHBondContact O-N 3.41Å; C666-N670 PolarHBondContact O-ND2 3.47Å; C666-A692 HydrophobicContact CB-CB 4.02Å; C666-A692 VanDerWaalsContact CB-O 3.27Å; C666-A692 WeakPolarHBondContact CB-O 3.32Å |
| 667 | L | 91.6 | Very high | 88.7 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 171.5 | -177.8 | 65.1 | 0 | 0 | 0 | 111.3 | A663 I665 R671 L674 L688 A692 | A663-L667 WeakPolarHBondContact O-CB 3.3Å; A663-L667 PolarHBondContact O-N 3.41Å; I665-L667 VanDerWaalsContact C-N 3.31Å; I665-L667 PolarHBondContact O-N 2.91Å; L667-R671 WeakPolarHBondContact O-CA 3.41Å; L667-R671 WeakPolarHBondContact O-CB 3.49Å; L667-R671 PolarHBondContact O-N 2.68Å; L667-L674 HydrophobicContact CD1-CD1 3.74Å; L667-L688 HydrophobicContact CD1-CB 4.08Å; L667-A692 HydrophobicContact CB-CB 4.26Å |
| 668 | H | 91 | Very high | 88.4 | Confident | 115 Ų | 115 | 62.9 Ų | 62.9 | 53% | 0.532 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.8 | -40.7 | 174.3 | -169.3 | 104 | 0 | 0 | 0 | 112.8 | D664 I665 C666 R671 | D664-H668 PolarHBondContact O-N 3.16Å; D664-H668 VanDerWaalsContact O-N 3.14Å; I665-H668 WeakPolarHBondContact O-CA 3.28Å; I665-H668 WeakPolarHBondContact O-CB 3.39Å; I665-H668 PolarHBondContact O-N 3.2Å; C666-H668 VanDerWaalsContact C-N 3.28Å; C666-H668 PolarHBondContact O-N 3.19Å; H668-R671 PolarHBondContact CE1-NH1 3.2Å; H668-R671 PolarHBondContact NE2-NH1 2.63Å; H668-R671 WeakPolarHBondContact O-CB 3.43Å; H668-R671 VanDerWaalsContact O-CD 3.3Å; H668-R671 WeakPolarHBondContact O-CD 3.3Å; H668-R671 VanDerWaalsContact O-CG 3.25Å; H668-R671 WeakPolarHBondContact O-CG 3.34Å |
| 669 | L | 88 | Confident | 88 | Confident | 106 Ų | 106 | 60.3 Ų | 60.3 | 56% | 0.555 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.5 | -45.7 | 177.4 | -67.5 | 172.7 | 0 | 0 | 0 | 111.2 | I665 C666 R671 | I665-L669 HydrophobicContact CG2-CD1 4.15Å; I665-L669 HydrophobicContact CG2-CG 4.45Å; I665-L669 WeakPolarHBondContact O-CG 3.37Å; I665-L669 PolarHBondContact O-N 3.19Å; C666-L669 PolarHBondContact O-N 2.91Å; L669-R671 VanDerWaalsContact C-N 3.35Å; L669-R671 PolarHBondContact O-N 3.09Å |
| 670 | N | 88.6 | Confident | 88 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -89.4 | 5.8 | -176.6 | -63.8 | -36.4 | 0 | 0 | 0 | 113.5 | C666 N672 L673 L674 A692 L695 H768 | C666-N670 WeakPolarHBondContact O-CB 3.46Å; C666-N670 PolarHBondContact O-N 3.41Å; C666-N670 PolarHBondContact O-ND2 3.47Å; N670-N672 PolarHBondContact O-N 2.73Å; N670-N672 VanDerWaalsContact O-N 3.07Å; N670-L673 WeakPolarHBondContact O-CB 3.47Å; N670-L673 PolarHBondContact O-N 3Å; N670-L673 VanDerWaalsContact O-N 3.09Å; N670-L674 HydrophobicContact CB-CD1 4.05Å; N670-L674 HydrophobicContact CB-CG 4.42Å; N670-L674 WeakPolarHBondContact O-CG 3.42Å; N670-L674 PolarHBondContact O-N 2.83Å; N670-L674 VanDerWaalsContact O-N 3.09Å; N670-A692 PolarHBondContact ND2-O 3.21Å; N670-L695 HydrophobicContact CB-CD1 4.39Å; N670-L695 WeakPolarHBondContact ND2-CB 3.45Å; N670-H768 PolarHBondContact OD1-CE1 3.32Å; N670-H768 VanDerWaalsContact OD1-CE1 3.23Å; N670-H768 PolarHBondContact OD1-ND1 2.95Å; N670-H768 VanDerWaalsContact OD1-ND1 3.08Å |
| 671 | R | 87.7 | Confident | 87.8 | Confident | 118 Ų | 118 | 55 Ų | 55 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.4 | -32.1 | -176.8 | 76 | -173.5 | -177.3 | -162.6 | -3.6 | 114.1 | L667 H668 L669 N675 | L667-R671 WeakPolarHBondContact O-CA 3.41Å; L667-R671 WeakPolarHBondContact O-CB 3.49Å; L667-R671 PolarHBondContact O-N 2.68Å; H668-R671 PolarHBondContact CE1-NH1 3.2Å; H668-R671 PolarHBondContact NE2-NH1 2.63Å; H668-R671 WeakPolarHBondContact O-CB 3.43Å; H668-R671 VanDerWaalsContact O-CD 3.3Å; H668-R671 WeakPolarHBondContact O-CD 3.3Å; H668-R671 VanDerWaalsContact O-CG 3.25Å; H668-R671 WeakPolarHBondContact O-CG 3.34Å; L669-R671 VanDerWaalsContact C-N 3.35Å; L669-R671 PolarHBondContact O-N 3.09Å; R671-N675 VanDerWaalsContact O-CB 3.28Å; R671-N675 WeakPolarHBondContact O-CB 3.31Å; R671-N675 VanDerWaalsContact O-CG 3.26Å; R671-N675 PolarHBondContact O-N 3.47Å; R671-N675 PolarHBondContact O-ND2 3.22Å |
| 672 | N | 83.7 | Confident | 87.5 | Confident | 92 Ų | 92 | 57 Ų | 57 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | -177.9 | -66.3 | -0.3 | 0 | 0 | 0 | 110.1 | N670 T676 | N670-N672 PolarHBondContact O-N 2.73Å; N670-N672 VanDerWaalsContact O-N 3.07Å; N672-T676 WeakPolarHBondContact O-CB 3.4Å; N672-T676 PolarHBondContact O-N 3.35Å; N672-T676 PolarHBondContact O-OG1 3.43Å |
| 673 | L | 87.1 | Confident | 87.3 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -57.8 | 172.5 | -178.1 | 76.8 | 0 | 0 | 0 | 110.7 | N670 N675 T676 C677 F680 L695 F718 H768 | N670-L673 WeakPolarHBondContact O-CB 3.47Å; N670-L673 PolarHBondContact O-N 3Å; N670-L673 VanDerWaalsContact O-N 3.09Å; L673-N675 VanDerWaalsContact C-N 3.29Å; L673-N675 PolarHBondContact O-N 3.3Å; L673-T676 PolarHBondContact O-N 3.23Å; L673-C677 WeakPolarHBondContact O-CB 3.19Å; L673-C677 PolarHBondContact O-N 2.93Å; L673-F680 HydrophobicContact CD1-CE2 4.36Å; L673-F680 HydrophobicContact CD2-CE2 3.98Å; L673-F680 HydrophobicContact CG-CD2 4.28Å; L673-F680 HydrophobicContact CG-CE2 3.89Å; L673-L695 HydrophobicContact CD2-CD1 3.74Å; L673-L695 HydrophobicContact CD2-CD2 3.87Å; L673-L695 HydrophobicContact CD2-CG 4.49Å; L673-F718 HydrophobicContact CD1-CB 3.35Å; L673-F718 HydrophobicContact CD1-CD1 3.73Å; L673-F718 HydrophobicContact CD1-CD2 4.24Å; L673-F718 HydrophobicContact CD1-CG 3.54Å; L673-F718 HydrophobicContact CD2-CD2 4.47Å; L673-H768 HydrophobicContact CD2-CB 4.06Å |
| 674 | L | 88.4 | Confident | 87.3 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.9 | -25.3 | -167.2 | -62.6 | 171.9 | 0 | 0 | 0 | 113.6 | L667 N670 F680 L688 A692 L695 | L667-L674 HydrophobicContact CD1-CD1 3.74Å; N670-L674 HydrophobicContact CB-CD1 4.05Å; N670-L674 HydrophobicContact CB-CG 4.42Å; N670-L674 WeakPolarHBondContact O-CG 3.42Å; N670-L674 PolarHBondContact O-N 2.83Å; N670-L674 VanDerWaalsContact O-N 3.09Å; L674-F680 HydrophobicContact CD2-CB 4.08Å; L674-F680 HydrophobicContact CD2-CD1 3.99Å; L674-F680 HydrophobicContact CD2-CD2 3.89Å; L674-F680 HydrophobicContact CD2-CE1 4.42Å; L674-F680 HydrophobicContact CD2-CE2 4.34Å; L674-F680 HydrophobicContact CD2-CG 3.71Å; L674-F680 WeakPolarHBondContact O-CB 3.3Å; L674-L688 HydrophobicContact CB-CD2 4.25Å; L674-L688 HydrophobicContact CD1-CD2 4.44Å; L674-L688 HydrophobicContact CD2-CD2 4.04Å; L674-L688 HydrophobicContact CG-CD2 4.46Å; L674-A692 HydrophobicContact CD1-CB 4.27Å; L674-L695 HydrophobicContact CD2-CD1 4.14Å |
| 675 | N | 84.8 | Confident | 87.3 | Confident | 115 Ų | 115 | 61.1 Ų | 61.1 | 62% | 0.615 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -91.2 | -27.9 | 175 | -64.8 | -17.1 | 0 | 0 | 0 | 113.5 | R671 L673 K681 | R671-N675 VanDerWaalsContact O-CB 3.28Å; R671-N675 WeakPolarHBondContact O-CB 3.31Å; R671-N675 VanDerWaalsContact O-CG 3.26Å; R671-N675 PolarHBondContact O-N 3.47Å; R671-N675 PolarHBondContact O-ND2 3.22Å; L673-N675 VanDerWaalsContact C-N 3.29Å; L673-N675 PolarHBondContact O-N 3.3Å; N675-K681 WeakPolarHBondContact O-CE 3.37Å |
| 676 | T | 83.4 | Confident | 87.2 | Confident | 97 Ų | 97 | 59.8 Ų | 59.8 | 60% | 0.595 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -89.1 | -51.9 | -172.2 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | N672 L673 S678 K681 | N672-T676 WeakPolarHBondContact O-CB 3.4Å; N672-T676 PolarHBondContact O-N 3.35Å; N672-T676 PolarHBondContact O-OG1 3.43Å; L673-T676 PolarHBondContact O-N 3.23Å; T676-S678 PolarHBondContact O-N 3.23Å; T676-K681 WeakPolarHBondContact O-CE 3.36Å; T676-K681 PolarHBondContact O-NZ 3.37Å |
| 677 | C | 83.5 | Confident | 87.3 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 14% | 0.142 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -66.5 | 132.6 | -177.4 | -61.9 | 0 | 0 | 0 | 0 | 110.2 | L673 F680 | L673-C677 WeakPolarHBondContact O-CB 3.19Å; L673-C677 PolarHBondContact O-N 2.93Å; C677-F680 HydrophobicContact CB-CD2 3.95Å; C677-F680 HydrophobicContact CB-CE2 4.27Å |
| 678 | S | 82.4 | Confident | 87.4 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 42% | 0.42 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -54.7 | -48.6 | -177.8 | -145.1 | 0 | 0 | 0 | 0 | 115 | T676 F680 K681 | T676-S678 PolarHBondContact O-N 3.23Å; S678-F680 PolarHBondContact O-N 3.04Å; S678-K681 PolarHBondContact O-N 3.41Å |
| 679 | P | 84.1 | Confident | 87.4 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -67.5 | -2.1 | -170 | 25.7 | -35.5 | 0 | 0 | 0 | 115.8 | F785 F789 E792 L793 | P679-F785 WeakPolarHBondContact O-CE2 3.48Å; P679-F785 WeakPolarHBondContact O-CZ 3.39Å; P679-F789 HydrophobicContact CB-CD2 3.79Å; P679-F789 HydrophobicContact CB-CE2 4.11Å; P679-F789 HydrophobicContact CG-CE2 4.49Å; P679-E792 HydrophobicContact CB-CB 3.8Å; P679-E792 WeakPolarHBondContact CD-O 3.47Å; P679-L793 HydrophobicContact CG-CD1 4.33Å |
| 680 | F | 87.9 | Confident | 87.6 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -104.5 | -12.9 | 174.9 | -58 | -56.1 | 0 | 0 | 0 | 113.7 | L673 L674 C677 S678 N682 A683 L688 L691 F718 F785 F789 | L673-F680 HydrophobicContact CD1-CE2 4.36Å; L673-F680 HydrophobicContact CD2-CE2 3.98Å; L673-F680 HydrophobicContact CG-CD2 4.28Å; L673-F680 HydrophobicContact CG-CE2 3.89Å; L674-F680 HydrophobicContact CD2-CB 4.08Å; L674-F680 HydrophobicContact CD2-CD1 3.99Å; L674-F680 HydrophobicContact CD2-CD2 3.89Å; L674-F680 HydrophobicContact CD2-CE1 4.42Å; L674-F680 HydrophobicContact CD2-CE2 4.34Å; L674-F680 HydrophobicContact CD2-CG 3.71Å; L674-F680 WeakPolarHBondContact O-CB 3.3Å; C677-F680 HydrophobicContact CB-CD2 3.95Å; C677-F680 HydrophobicContact CB-CE2 4.27Å; S678-F680 PolarHBondContact O-N 3.04Å; F680-N682 VanDerWaalsContact C-N 3.27Å; F680-N682 PolarHBondContact O-N 2.89Å; F680-A683 VanDerWaalsContact O-CB 3.29Å; F680-A683 WeakPolarHBondContact O-CB 3.39Å; F680-A683 PolarHBondContact O-N 3.45Å; F680-L688 HydrophobicContact CB-CD2 4.3Å; F680-L691 HydrophobicContact CD1-CD1 3.83Å; F680-L691 HydrophobicContact CE1-CD1 3.91Å; F680-F718 HydrophobicContact CE2-CE1 4.01Å; F680-F718 HydrophobicContact CE2-CZ 4.11Å; F680-F718 HydrophobicContact CZ-CE1 4.17Å; F680-F718 HydrophobicContact CZ-CE2 4.4Å; F680-F718 AromaticContact CZ-CZ 3.81Å; F680-F718 HydrophobicContact CZ-CZ 3.81Å; F680-F785 HydrophobicContact CD1-CZ 4.14Å; F680-F789 HydrophobicContact CE1-CD2 4.37Å; F680-F789 AromaticContact CE1-CE2 3.77Å; F680-F789 HydrophobicContact CE1-CE2 3.77Å; F680-F789 HydrophobicContact CZ-CE2 4.14Å |
| 681 | K | 83.3 | Confident | 87.8 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -28.1 | -172.8 | -68.3 | 174.7 | -173.9 | 163.1 | 0 | 113.8 | N675 T676 S678 | N675-K681 WeakPolarHBondContact O-CE 3.37Å; T676-K681 WeakPolarHBondContact O-CE 3.36Å; T676-K681 PolarHBondContact O-NZ 3.37Å; S678-K681 PolarHBondContact O-N 3.41Å |
| 682 | N | 83.9 | Confident | 88.1 | Confident | 100 Ų | 100 | 47.5 Ų | 47.5 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5.9 | -179.3 | -60.1 | -58.7 | 0 | 0 | 0 | 113.1 | F680 Q788 E792 | F680-N682 VanDerWaalsContact C-N 3.27Å; F680-N682 PolarHBondContact O-N 2.89Å; N682-Q788 HydrophobicContact CB-CG 4.31Å; N682-E792 PolarHBondContact ND2-OE1 3.48Å; N682-E792 PolarHBondContact ND2-OE2 3.41Å |
| 683 | A | 88.6 | Confident | 88.4 | Confident | 14 Ų | 14 | 47 Ų | 47 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | trans | -75.4 | 145 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F680 C687 L688 F785 | F680-A683 VanDerWaalsContact O-CB 3.29Å; F680-A683 WeakPolarHBondContact O-CB 3.39Å; F680-A683 PolarHBondContact O-N 3.45Å; A683-C687 HydrophobicContact CB-CB 4.44Å; A683-L688 HydrophobicContact CB-CD1 4.48Å; A683-L688 HydrophobicContact CB-CD2 3.7Å; A683-L688 HydrophobicContact CB-CG 3.72Å; A683-F785 HydrophobicContact CB-CD2 3.81Å; A683-F785 HydrophobicContact CB-CE2 3.57Å; A683-F785 HydrophobicContact CB-CZ 4.3Å | ||
| 684 | S | 91.4 | Very high | 88.6 | Confident | 61 Ų | 61 | 49.3 Ų | 49.3 | 43% | 0.427 | 27% | 0.272 | S | S | . | . | trans | -67.6 | 154.1 | 172.1 | 76 | 0 | 0 | 0 | 0 | 111.2 | G686 C687 L688 | S684-G686 PolarHBondContact O-N 2.94Å; S684-C687 PolarHBondContact O-N 3.48Å; S684-C687 WeakPolarHBondContact OG-CB 3.5Å; S684-C687 PolarHBondContact OG-N 3.26Å; S684-C687 VanDerWaalsContact OG-N 3.13Å; S684-L688 PolarHBondContact O-N 2.84Å | ||
| 685 | Q | 90.2 | Very high | 88.7 | Confident | 122 Ų | 122 | 49.7 Ų | 49.7 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.3 | -28.6 | 177.7 | -168.8 | -179.4 | 7.6 | 0 | 0 | 112.6 | R689 | Q685-R689 WeakPolarHBondContact O-CB 3.4Å; Q685-R689 WeakPolarHBondContact O-CG 3.46Å; Q685-R689 PolarHBondContact O-N 3.39Å; Q685-R689 VanDerWaalsContact O-N 3.16Å |
| 686 | G | 90.8 | Very high | 88.9 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.1 | -47.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S684 R689 A690 Y782 | S684-G686 PolarHBondContact O-N 2.94Å; G686-R689 PolarHBondContact O-N 3.18Å; G686-A690 PolarHBondContact O-N 3.44Å; G686-Y782 VanDerWaalsContact C-OH 3.31Å |
| 687 | C | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 176.7 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | A683 S684 R689 A690 L691 Y782 F785 | A683-C687 HydrophobicContact CB-CB 4.44Å; S684-C687 PolarHBondContact O-N 3.48Å; S684-C687 WeakPolarHBondContact OG-CB 3.5Å; S684-C687 PolarHBondContact OG-N 3.26Å; S684-C687 VanDerWaalsContact OG-N 3.13Å; C687-R689 VanDerWaalsContact C-N 3.3Å; C687-R689 PolarHBondContact O-N 2.92Å; C687-A690 PolarHBondContact O-N 2.85Å; C687-A690 VanDerWaalsContact O-N 3.15Å; C687-L691 WeakPolarHBondContact O-CB 3.41Å; C687-L691 WeakPolarHBondContact O-CG 3.37Å; C687-L691 PolarHBondContact O-N 3.22Å; C687-Y782 HydrophobicContact CB-CD1 4.03Å; C687-Y782 HydrophobicContact CB-CD2 4.02Å; C687-Y782 HydrophobicContact CB-CE1 4.06Å; C687-Y782 HydrophobicContact CB-CE2 4.07Å; C687-Y782 HydrophobicContact CB-CG 4Å; C687-F785 WeakPolarHBondContact SG-CD1 3.41Å |
| 688 | L | 93.2 | Very high | 89.1 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 175.6 | -72.4 | 175.2 | 0 | 0 | 0 | 112.7 | L667 L674 F680 A683 S684 A692 | L667-L688 HydrophobicContact CD1-CB 4.08Å; L674-L688 HydrophobicContact CB-CD2 4.25Å; L674-L688 HydrophobicContact CD1-CD2 4.44Å; L674-L688 HydrophobicContact CD2-CD2 4.04Å; L674-L688 HydrophobicContact CG-CD2 4.46Å; F680-L688 HydrophobicContact CB-CD2 4.3Å; A683-L688 HydrophobicContact CB-CD1 4.48Å; A683-L688 HydrophobicContact CB-CD2 3.7Å; A683-L688 HydrophobicContact CB-CG 3.72Å; S684-L688 PolarHBondContact O-N 2.84Å; L688-A692 WeakPolarHBondContact O-CB 3.47Å; L688-A692 PolarHBondContact O-N 3.09Å |
| 689 | R | 92.3 | Very high | 89.2 | Confident | 81 Ų | 81 | 48.2 Ų | 48.2 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 174.9 | -82.6 | 174.8 | 166.5 | 161.6 | -8.1 | 112.3 | A663 D664 Q685 G686 C687 A692 L693 | A663-R689 HydrophobicContact CB-CB 4Å; A663-R689 HydrophobicContact CB-CG 3.95Å; D664-R689 IonicContact OD1-CZ 3.8Å; D664-R689 IonicContact OD1-NE 2.62Å; D664-R689 PolarHBondContact OD1-NE 2.97Å; D664-R689 IonicContact OD1-NH2 2.78Å; D664-R689 PolarHBondContact OD1-NH2 3.25Å; D664-R689 IonicContact OD2-CZ 2.68Å; D664-R689 IonicContact OD2-NH2 2.62Å; D664-R689 PolarHBondContact OD2-NH2 2.97Å; Q685-R689 WeakPolarHBondContact O-CB 3.4Å; Q685-R689 WeakPolarHBondContact O-CG 3.46Å; Q685-R689 PolarHBondContact O-N 3.39Å; Q685-R689 VanDerWaalsContact O-N 3.16Å; G686-R689 PolarHBondContact O-N 3.18Å; C687-R689 VanDerWaalsContact C-N 3.3Å; C687-R689 PolarHBondContact O-N 2.92Å; R689-A692 PolarHBondContact O-N 3.44Å; R689-L693 WeakPolarHBondContact O-CG 3.5Å; R689-L693 PolarHBondContact O-N 3.3Å; R689-L693 VanDerWaalsContact O-N 3.17Å |
| 690 | A | 92.8 | Very high | 89.4 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G686 C687 A692 L693 K694 I778 Y782 | G686-A690 PolarHBondContact O-N 3.44Å; C687-A690 PolarHBondContact O-N 2.85Å; C687-A690 VanDerWaalsContact O-N 3.15Å; A690-A692 VanDerWaalsContact C-N 3.33Å; A690-A692 PolarHBondContact O-N 3.3Å; A690-L693 PolarHBondContact O-N 3.2Å; A690-K694 PolarHBondContact O-N 2.96Å; A690-I778 HydrophobicContact CB-CD1 4.06Å; A690-I778 HydrophobicContact CB-CG1 4.24Å; A690-Y782 HydrophobicContact CB-CE2 4.5Å |
| 691 | L | 92.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.7 | -46.6 | 174.9 | -72.7 | 167.5 | 0 | 0 | 0 | 111.3 | F680 C687 L693 K694 L695 I770 L775 I778 F785 | F680-L691 HydrophobicContact CD1-CD1 3.83Å; F680-L691 HydrophobicContact CE1-CD1 3.91Å; C687-L691 WeakPolarHBondContact O-CB 3.41Å; C687-L691 WeakPolarHBondContact O-CG 3.37Å; C687-L691 PolarHBondContact O-N 3.22Å; L691-L693 VanDerWaalsContact C-N 3.3Å; L691-L693 PolarHBondContact O-N 3.26Å; L691-K694 PolarHBondContact O-N 3.5Å; L691-L695 HydrophobicContact CB-CD1 4.45Å; L691-L695 WeakPolarHBondContact O-CB 3.3Å; L691-L695 WeakPolarHBondContact O-CD1 3.37Å; L691-L695 VanDerWaalsContact O-CG 3.28Å; L691-L695 WeakPolarHBondContact O-CG 3.37Å; L691-L695 PolarHBondContact O-N 2.95Å; L691-I770 HydrophobicContact CD2-CD1 4.08Å; L691-L775 HydrophobicContact CD2-CD1 4.16Å; L691-I778 HydrophobicContact CD2-CD1 3.99Å; L691-I778 HydrophobicContact CD2-CG2 3.91Å; L691-I778 HydrophobicContact CG-CD1 4.32Å; L691-I778 HydrophobicContact CG-CG2 4.07Å; L691-F785 HydrophobicContact CD1-CE1 4.07Å; L691-F785 HydrophobicContact CD1-CZ 4.06Å |
| 692 | A | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -35.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | C666 L667 N670 L674 L688 R689 A690 | C666-A692 HydrophobicContact CB-CB 4.02Å; C666-A692 VanDerWaalsContact CB-O 3.27Å; C666-A692 WeakPolarHBondContact CB-O 3.32Å; L667-A692 HydrophobicContact CB-CB 4.26Å; N670-A692 PolarHBondContact ND2-O 3.21Å; L674-A692 HydrophobicContact CD1-CB 4.27Å; L688-A692 WeakPolarHBondContact O-CB 3.47Å; L688-A692 PolarHBondContact O-N 3.09Å; R689-A692 PolarHBondContact O-N 3.44Å; A690-A692 VanDerWaalsContact C-N 3.33Å; A690-A692 PolarHBondContact O-N 3.3Å |
| 693 | L | 91.1 | Very high | 89.6 | Confident | 81 Ų | 81 | 43.8 Ų | 43.8 | 42% | 0.424 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.4 | -32.5 | 176.5 | -74.9 | 171.6 | 0 | 0 | 0 | 113.4 | Q662 A663 R689 A690 L691 | Q662-L693 HydrophobicContact CB-CD2 3.89Å; A663-L693 HydrophobicContact CB-CD1 4.06Å; A663-L693 HydrophobicContact CB-CD2 4.28Å; A663-L693 HydrophobicContact CB-CG 4.1Å; R689-L693 WeakPolarHBondContact O-CG 3.5Å; R689-L693 PolarHBondContact O-N 3.3Å; R689-L693 VanDerWaalsContact O-N 3.17Å; A690-L693 PolarHBondContact O-N 3.2Å; L691-L693 VanDerWaalsContact C-N 3.3Å; L691-L693 PolarHBondContact O-N 3.26Å |
| 694 | K | 91.2 | Very high | 89.5 | Confident | 58 Ų | 58 | 44.4 Ų | 44.4 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -86.1 | -24.3 | 178.9 | -58.5 | -68.7 | -155.3 | 152.6 | 0 | 113.4 | A690 L691 K696 I770 D774 E777 I778 | A690-K694 PolarHBondContact O-N 2.96Å; L691-K694 PolarHBondContact O-N 3.5Å; K694-K696 PolarHBondContact O-N 3.45Å; K694-I770 HydrophobicContact CB-CD1 4.4Å; K694-I770 HydrophobicContact CB-CG1 4.46Å; K694-D774 HydrophobicContact CB-CB 4Å; K694-D774 HydrophobicContact CD-CB 3.83Å; K694-D774 WeakPolarHBondContact CD-OD1 3.42Å; K694-D774 WeakPolarHBondContact CE-OD1 3.31Å; K694-D774 HydrophobicContact CG-CB 3.97Å; K694-D774 IonicContact NZ-OD1 2.7Å; K694-D774 PolarHBondContact NZ-OD1 3.3Å; K694-E777 WeakPolarHBondContact CE-OE2 3.21Å; K694-E777 IonicContact NZ-OE2 3.08Å; K694-E777 PolarHBondContact NZ-OE2 3.43Å; K694-I778 HydrophobicContact CB-CD1 4.38Å; K694-I778 HydrophobicContact CG-CD1 3.73Å |
| 695 | L | 90.8 | Very high | 89.5 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | trans | -69.2 | 112 | 179.6 | -83.3 | 163.4 | 0 | 0 | 0 | 112.2 | N670 L673 L674 L691 H768 I770 | N670-L695 HydrophobicContact CB-CD1 4.39Å; N670-L695 WeakPolarHBondContact ND2-CB 3.45Å; L673-L695 HydrophobicContact CD2-CD1 3.74Å; L673-L695 HydrophobicContact CD2-CD2 3.87Å; L673-L695 HydrophobicContact CD2-CG 4.49Å; L674-L695 HydrophobicContact CD2-CD1 4.14Å; L691-L695 HydrophobicContact CB-CD1 4.45Å; L691-L695 WeakPolarHBondContact O-CB 3.3Å; L691-L695 WeakPolarHBondContact O-CD1 3.37Å; L691-L695 VanDerWaalsContact O-CG 3.28Å; L691-L695 WeakPolarHBondContact O-CG 3.37Å; L691-L695 PolarHBondContact O-N 2.95Å; L695-H768 HydrophobicContact CD2-CB 4.23Å; L695-I770 HydrophobicContact CD2-CB 3.96Å; L695-I770 HydrophobicContact CG-CD1 4.43Å | ||
| 696 | K | 88.5 | Confident | 89.6 | Confident | 96 Ų | 96 | 40 Ų | 40 | 42% | 0.417 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.6 | 176 | -65.3 | 178.1 | -178.9 | 171.8 | 0 | 110.5 | K694 R769 | K694-K696 PolarHBondContact O-N 3.45Å; K696-R769 PolarHBondContact N-O 2.98Å; K696-R769 PolarHBondContact O-N 3.5Å |
| 697 | T | 86.3 | Confident | 89.6 | Confident | 60 Ų | 60 | 38.5 Ų | 38.5 | 37% | 0.368 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128.5 | 172.8 | -54 | 0 | 0 | 0 | 0 | 110.2 | L767 H768 | T697-L767 CarbonylContact C-O 3.48Å; T697-L767 WeakPolarHBondContact CA-O 3.41Å; T697-H768 PolarHBondContact OG1-ND1 2.84Å |
| 698 | T | 84.7 | Confident | 89.6 | Confident | 48 Ų | 48 | 43 Ų | 43 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.8 | 179.3 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | L767 | T698-L767 PolarHBondContact N-O 3.05Å; T698-L767 PolarHBondContact O-N 3.48Å |
| 699 | H | 84.6 | Confident | 89.5 | Confident | 58 Ų | 58 | 48 Ų | 48 | 27% | 0.269 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.4 | -179.2 | -56.8 | -78.1 | 0 | 0 | 0 | 110.7 | Y644 C765 D766 | Y644-H699 AromaticContact CE1-CD2 3.95Å; Y644-H699 AromaticContact CE1-CE1 3.77Å; Y644-H699 AromaticContact CE1-NE2 3.39Å; Y644-H699 WeakPolarHBondContact CE1-NE2 3.38Å; Y644-H699 AromaticContact CZ-CE1 3.42Å; Y644-H699 VanDerWaalsContact CZ-CE1 3.42Å; Y644-H699 AromaticContact CZ-NE2 3.57Å; Y644-H699 PolarHBondContact OH-CE1 3.48Å; H699-C765 WeakPolarHBondContact CA-O 3.44Å; H699-D766 IonicContact CE1-OD1 2.78Å; H699-D766 PolarHBondContact CE1-OD1 2.91Å; H699-D766 IonicContact CG-OD1 2.66Å; H699-D766 IonicContact ND1-OD1 2.7Å; H699-D766 PolarHBondContact ND1-OD1 3.49Å |
| 700 | V | 87 | Confident | 89.3 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.8 | -170 | -163.1 | 0 | 0 | 0 | 0 | 109.4 | D704 L706 A761 Y764 C765 L767 | V700-D704 HydrophobicContact CG1-CB 3.88Å; V700-L706 HydrophobicContact CG1-CD1 4.13Å; V700-L706 HydrophobicContact CG1-CD2 4.09Å; V700-L706 HydrophobicContact CG1-CG 3.98Å; V700-L706 HydrophobicContact CG2-CD1 4.15Å; V700-L706 HydrophobicContact CG2-CD2 3.74Å; V700-L706 HydrophobicContact CG2-CG 4.3Å; V700-A761 HydrophobicContact CB-CB 4.22Å; V700-A761 HydrophobicContact CG1-CB 3.69Å; V700-Y764 WeakPolarHBondContact O-CA 3.38Å; V700-C765 HydrophobicContact CB-CB 4.24Å; V700-C765 PolarHBondContact N-O 2.88Å; V700-C765 PolarHBondContact O-N 2.91Å; V700-L767 HydrophobicContact CG2-CD1 3.75Å; V700-L767 HydrophobicContact CG2-CG 4.16Å |
| 701 | P | 85.7 | Confident | 89.2 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | trans | -78.7 | 159.4 | 176.9 | 33.1 | -33.6 | 0 | 0 | 0 | 111.5 | D704 A761 Y764 | P701-D704 HydrophobicContact CG-CB 4.17Å; P701-D704 WeakPolarHBondContact O-CB 3.42Å; P701-D704 PolarHBondContact O-N 3.37Å; P701-A761 WeakPolarHBondContact O-CB 3.49Å; P701-Y764 HydrophobicContact CB-CD1 4.24Å; P701-Y764 HydrophobicContact CB-CE1 3.89Å | ||
| 702 | P | 88 | Confident | 89.1 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 38% | 0.377 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 137.5 | 178.9 | 26.3 | -35.3 | 0 | 0 | 0 | 112.1 | L762 Y764 | P702-L762 WeakPolarHBondContact CB-O 3.42Å; P702-Y764 HydrophobicContact CG-CD2 4.42Å; P702-Y764 HydrophobicContact CG-CE2 4.08Å |
| 703 | G | 86.2 | Confident | 88.9 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -13.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R760 A761 | G703-R760 WeakPolarHBondContact O-CD 3.4Å; G703-A761 PolarHBondContact N-O 2.88Å |
| 704 | D | 87.3 | Confident | 88.9 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | trans | -75.7 | 131.3 | -179.5 | -86.5 | 34.5 | 0 | 0 | 0 | 112.2 | R633 V700 P701 R760 A761 | R633-D704 VanDerWaalsContact CZ-CG 3.49Å; R633-D704 IonicContact CZ-OD1 2.76Å; R633-D704 VanDerWaalsContact CZ-OD1 3.26Å; R633-D704 IonicContact CZ-OD2 3.35Å; R633-D704 VanDerWaalsContact NE-CG 3.31Å; R633-D704 IonicContact NE-OD1 3.47Å; R633-D704 PolarHBondContact NE-OD1 3.03Å; R633-D704 IonicContact NE-OD2 3.04Å; R633-D704 PolarHBondContact NE-OD2 3.41Å; R633-D704 IonicContact NH2-OD1 2.67Å; R633-D704 PolarHBondContact NH2-OD1 3.26Å; R633-D704 IonicContact NH2-OD2 3.55Å; R633-D704 PolarHBondContact NH2-OD2 3.48Å; V700-D704 HydrophobicContact CG1-CB 3.88Å; P701-D704 HydrophobicContact CG-CB 4.17Å; P701-D704 WeakPolarHBondContact O-CB 3.42Å; P701-D704 PolarHBondContact O-N 3.37Å; D704-R760 WeakPolarHBondContact O-CA 3.48Å; D704-A761 PolarHBondContact O-N 3.49Å | ||
| 705 | T | 90.8 | Very high | 88.9 | Confident | 44 Ų | 44 | 49 Ų | 49 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.1 | 172.4 | 46.3 | 0 | 0 | 0 | 0 | 111 | H708 V759 R760 | T705-H708 PolarHBondContact OG1-CE1 2.9Å; T705-H708 PolarHBondContact OG1-NE2 3.16Å; T705-V759 CarbonylContact C-O 3.45Å; T705-V759 VanDerWaalsContact CA-O 3.31Å; T705-V759 WeakPolarHBondContact CA-O 3.41Å; T705-R760 HydrophobicContact CG2-CB 4.19Å; T705-R760 HydrophobicContact CG2-CG 4.2Å |
| 706 | L | 91.3 | Very high | 88.9 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -32.5 | -178.2 | -81.9 | 159.9 | 0 | 0 | 0 | 113.5 | V700 I724 F742 V759 L767 | V700-L706 HydrophobicContact CG1-CD1 4.13Å; V700-L706 HydrophobicContact CG1-CD2 4.09Å; V700-L706 HydrophobicContact CG1-CG 3.98Å; V700-L706 HydrophobicContact CG2-CD1 4.15Å; V700-L706 HydrophobicContact CG2-CD2 3.74Å; V700-L706 HydrophobicContact CG2-CG 4.3Å; L706-I724 HydrophobicContact CD1-CD1 3.65Å; L706-I724 HydrophobicContact CD1-CG1 4.45Å; L706-F742 HydrophobicContact CD1-CZ 4.38Å; L706-V759 HydrophobicContact CB-CB 4.41Å; L706-V759 HydrophobicContact CB-CG1 4.27Å; L706-V759 HydrophobicContact CD1-CG1 4.38Å; L706-V759 PolarHBondContact N-O 2.99Å; L706-L767 HydrophobicContact CD1-CD1 3.68Å; L706-L767 HydrophobicContact CD2-CD1 4.18Å |
| 707 | V | 92.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 132.8 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 106.2 | D711 L713 F715 S755 S758 V759 L799 | V707-D711 HydrophobicContact CG1-CB 3.9Å; V707-L713 HydrophobicContact CG1-CD2 4.39Å; V707-F715 HydrophobicContact CG2-CE1 4.19Å; V707-F715 HydrophobicContact CG2-CZ 3.64Å; V707-S755 WeakPolarHBondContact CG1-OG 3.39Å; V707-S758 CarbonylContact O-C 3.45Å; V707-S758 VanDerWaalsContact O-CA 3.31Å; V707-S758 WeakPolarHBondContact O-CA 3.29Å; V707-V759 HydrophobicContact CB-CB 4.05Å; V707-V759 HydrophobicContact CB-CG2 3.95Å; V707-V759 HydrophobicContact CG2-CB 4.34Å; V707-V759 HydrophobicContact CG2-CG2 4.27Å; V707-V759 PolarHBondContact O-N 3.26Å; V707-L799 HydrophobicContact CG2-CD1 4.42Å |
| 708 | H | 92.4 | Very high | 89.4 | Confident | 93 Ų | 93 | 41.5 Ų | 41.5 | 43% | 0.431 | 24% | 0.239 | S | C | . | . | trans | -99.6 | 154 | 170.6 | -65.3 | -94.6 | 0 | 0 | 0 | 110.1 | T705 G710 D711 Y757 | T705-H708 PolarHBondContact OG1-CE1 2.9Å; T705-H708 PolarHBondContact OG1-NE2 3.16Å; H708-G710 PolarHBondContact O-N 3.47Å; H708-D711 IonicContact CD2-OD2 3.22Å; H708-D711 PolarHBondContact N-OD2 3.19Å; H708-D711 WeakPolarHBondContact O-CB 3.32Å; H708-D711 PolarHBondContact O-N 2.87Å; H708-Y757 CarbonylContact C-O 3.55Å | ||
| 709 | K | 90.8 | Very high | 89.8 | Confident | 136 Ų | 136 | 39.4 Ų | 39.4 | 59% | 0.591 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 126.3 | 167.9 | -178.5 | 178.5 | -177.5 | -174.2 | 0 | 110.1 | S755 K756 Y757 S758 | K709-S755 CarbonylContact C-O 3.57Å; K709-S755 WeakPolarHBondContact CA-O 3.34Å; K709-K756 WeakPolarHBondContact CD-O 3.47Å; K709-K756 WeakPolarHBondContact CG-O 3.4Å; K709-Y757 PolarHBondContact N-O 3.13Å; K709-S758 PolarHBondContact N-OG 3.34Å |
| 710 | G | 88 | Confident | 90 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -11.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | H708 S755 | H708-G710 PolarHBondContact O-N 3.47Å; G710-S755 PolarHBondContact N-O 3.08Å |
| 711 | D | 90.7 | Very high | 90.1 | Very high | 68 Ų | 68 | 44.3 Ų | 44.3 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | trans | -67.8 | 144 | 178.4 | -76.2 | -11.2 | 0 | 0 | 0 | 112 | V707 H708 Q754 S755 | V707-D711 HydrophobicContact CG1-CB 3.9Å; H708-D711 IonicContact CD2-OD2 3.22Å; H708-D711 PolarHBondContact N-OD2 3.19Å; H708-D711 WeakPolarHBondContact O-CB 3.32Å; H708-D711 PolarHBondContact O-N 2.87Å; D711-Q754 CarbonylContact O-C 3.48Å; D711-Q754 WeakPolarHBondContact O-CA 3.4Å; D711-S755 PolarHBondContact O-N 3.03Å | ||
| 712 | V | 90.3 | Very high | 90.3 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 49% | 0.485 | 25% | 0.25 | S | C | . | . | B | Isolated β-bridge | trans | -76.7 | 126.2 | 178.4 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | N714 M752 | V712-N714 VanDerWaalsContact C-N 3.29Å; V712-N714 PolarHBondContact O-N 3.32Å; V712-M752 HydrophobicContact CG1-CB 3.82Å; V712-M752 HydrophobicContact CG1-CG 4.37Å; V712-M752 HydrophobicContact CG1-SD 3.81Å |
| 713 | L | 89 | Confident | 90.7 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | -78.5 | 69.1 | -175.3 | -62.3 | 174 | 0 | 0 | 0 | 112.3 | V707 F715 E744 G753 L799 R800 | V707-L713 HydrophobicContact CG1-CD2 4.39Å; L713-F715 VanDerWaalsContact C-N 3.32Å; L713-F715 PolarHBondContact O-N 3.17Å; L713-E744 HydrophobicContact CB-CB 4.01Å; L713-E744 HydrophobicContact CD1-CB 4.01Å; L713-G753 PolarHBondContact N-O 2.91Å; L713-L799 HydrophobicContact CD1-CB 3.78Å; L713-L799 HydrophobicContact CD2-CB 3.79Å; L713-L799 HydrophobicContact CD2-CD1 3.87Å; L713-L799 HydrophobicContact CG-CB 4.47Å; L713-R800 HydrophobicContact CD1-CB 4.2Å | ||
| 714 | N | 89.6 | Confident | 91.1 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | trans | -86.2 | 9.9 | -177.9 | 78.7 | 12.1 | 0 | 0 | 0 | 115.4 | V712 M752 R769 R772 | V712-N714 VanDerWaalsContact C-N 3.29Å; V712-N714 PolarHBondContact O-N 3.32Å; N714-M752 HydrophobicContact CB-SD 4.29Å; N714-R769 PolarHBondContact OD1-NH2 2.9Å; N714-R772 WeakPolarHBondContact O-CB 3.29Å; N714-R772 PolarHBondContact O-N 3.07Å | ||
| 715 | F | 91.7 | Very high | 91.5 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 156.8 | -174.6 | 69 | -82.9 | 0 | 0 | 0 | 113.6 | V707 L713 C717 F742 R769 I770 | V707-F715 HydrophobicContact CG2-CE1 4.19Å; V707-F715 HydrophobicContact CG2-CZ 3.64Å; L713-F715 VanDerWaalsContact C-N 3.32Å; L713-F715 PolarHBondContact O-N 3.17Å; F715-C717 HydrophobicContact CD2-CB 4.29Å; F715-C717 HydrophobicContact CE2-CB 4.21Å; F715-C717 VanDerWaalsContact CE2-SG 3.54Å; F715-F742 HydrophobicContact CE2-CE2 4.38Å; F715-R769 HydrophobicContact CB-CG 3.9Å; F715-R769 VanDerWaalsContact CB-NE 3.32Å; F715-R769 VanDerWaalsContact CD1-CZ 3.42Å; F715-R769 HydrophobicContact CD2-CG 3.8Å; F715-R769 HydrophobicContact CG-CG 4.12Å; F715-R769 VanDerWaalsContact CG-CZ 3.5Å; F715-R769 VanDerWaalsContact CG-NE 3.25Å; F715-I770 WeakPolarHBondContact CA-O 3.34Å; F715-I770 WeakPolarHBondContact CB-O 3.22Å |
| 716 | L | 91.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.5 | 168.7 | -173 | 68.9 | 0 | 0 | 0 | 108.4 | F718 V741 I770 L775 L793 I795 | L716-F718 HydrophobicContact CD2-CE2 3.88Å; L716-F718 HydrophobicContact CD2-CZ 3.67Å; L716-F718 HydrophobicContact CG-CE2 4.08Å; L716-F718 HydrophobicContact CG-CZ 4.25Å; L716-V741 HydrophobicContact CD1-CG1 3.82Å; L716-V741 HydrophobicContact CD2-CG1 4.43Å; L716-V741 HydrophobicContact CG-CG1 4.09Å; L716-I770 HydrophobicContact CB-CG2 4.01Å; L716-I770 PolarHBondContact N-O 3.42Å; L716-I770 PolarHBondContact O-N 2.96Å; L716-L775 HydrophobicContact CD2-CD2 4.21Å; L716-L793 HydrophobicContact CD2-CD1 4.32Å; L716-L793 HydrophobicContact CD2-CD2 4.28Å; L716-I795 HydrophobicContact CD1-CD1 4.04Å |
| 717 | C | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.6 | -179 | -101 | 0 | 0 | 0 | 0 | 112.1 | F715 V741 F742 H768 | F715-C717 HydrophobicContact CD2-CB 4.29Å; F715-C717 HydrophobicContact CE2-CB 4.21Å; F715-C717 VanDerWaalsContact CE2-SG 3.54Å; C717-V741 WeakPolarHBondContact O-CA 3.44Å; C717-F742 HydrophobicContact CB-CD1 4.1Å; C717-F742 HydrophobicContact CB-CD2 4.16Å; C717-F742 HydrophobicContact CB-CE1 3.62Å; C717-F742 HydrophobicContact CB-CE2 3.7Å; C717-F742 HydrophobicContact CB-CG 4.36Å; C717-F742 HydrophobicContact CB-CZ 3.42Å; C717-F742 VanDerWaalsContact CB-CZ 3.42Å; C717-F742 PolarHBondContact N-O 3.46Å; C717-F742 PolarHBondContact O-N 2.96Å; C717-H768 WeakPolarHBondContact CA-O 3.45Å |
| 718 | F | 92.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.9 | 175.4 | -57.1 | -101 | 0 | 0 | 0 | 109.3 | L673 F680 L716 A720 V741 L767 H768 I770 L793 | L673-F718 HydrophobicContact CD1-CB 3.35Å; L673-F718 HydrophobicContact CD1-CD1 3.73Å; L673-F718 HydrophobicContact CD1-CD2 4.24Å; L673-F718 HydrophobicContact CD1-CG 3.54Å; L673-F718 HydrophobicContact CD2-CD2 4.47Å; F680-F718 HydrophobicContact CE2-CE1 4.01Å; F680-F718 HydrophobicContact CE2-CZ 4.11Å; F680-F718 HydrophobicContact CZ-CE1 4.17Å; F680-F718 HydrophobicContact CZ-CE2 4.4Å; F680-F718 AromaticContact CZ-CZ 3.81Å; F680-F718 HydrophobicContact CZ-CZ 3.81Å; L716-F718 HydrophobicContact CD2-CE2 3.88Å; L716-F718 HydrophobicContact CD2-CZ 3.67Å; L716-F718 HydrophobicContact CG-CE2 4.08Å; L716-F718 HydrophobicContact CG-CZ 4.25Å; F718-A720 PolarHBondContact O-N 2.96Å; F718-V741 HydrophobicContact CD1-CB 4.35Å; F718-V741 HydrophobicContact CD1-CG1 3.98Å; F718-V741 HydrophobicContact CD1-CG2 3.5Å; F718-V741 VanDerWaalsContact CD1-CG2 3.5Å; F718-V741 HydrophobicContact CE1-CG1 3.92Å; F718-V741 HydrophobicContact CE1-CG2 3.84Å; F718-V741 HydrophobicContact CG-CG1 4.47Å; F718-V741 HydrophobicContact CG-CG2 4.42Å; F718-V741 HydrophobicContact CZ-CG1 4.38Å; F718-L767 WeakPolarHBondContact O-CA 3.47Å; F718-H768 HydrophobicContact CB-CB 4.49Å; F718-H768 PolarHBondContact N-O 2.92Å; F718-H768 PolarHBondContact O-N 3.21Å; F718-I770 HydrophobicContact CE2-CG2 4.32Å; F718-L793 HydrophobicContact CE1-CD1 4.35Å; F718-L793 HydrophobicContact CZ-CD1 4.48Å |
| 719 | I | 92.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 105.7 | -177 | -52.9 | -175.9 | 0 | 0 | 0 | 110.1 | I724 L736 G737 G739 D740 F742 L767 | I719-I724 HydrophobicContact CD1-CB 4.21Å; I719-I724 HydrophobicContact CD1-CD1 4.02Å; I719-I724 HydrophobicContact CD1-CG1 4.37Å; I719-I724 HydrophobicContact CG1-CD1 4.4Å; I719-L736 HydrophobicContact CD1-CB 3.47Å; I719-L736 VanDerWaalsContact CD1-CB 3.47Å; I719-L736 HydrophobicContact CD1-CD1 4.3Å; I719-G737 VanDerWaalsContact CB-O 3.26Å; I719-G737 WeakPolarHBondContact CB-O 3.39Å; I719-G737 VanDerWaalsContact CG2-O 3.28Å; I719-G737 WeakPolarHBondContact CG2-O 3.33Å; I719-G739 PolarHBondContact O-N 3.47Å; I719-D740 HydrophobicContact CD1-CB 4.24Å; I719-D740 PolarHBondContact N-O 3.36Å; I719-F742 HydrophobicContact CD1-CD1 4.2Å; I719-F742 HydrophobicContact CD1-CE1 4.18Å; I719-F742 HydrophobicContact CG1-CD1 4.15Å; I719-F742 HydrophobicContact CG1-CE1 3.96Å; I719-L767 HydrophobicContact CB-CD2 4.08Å; I719-L767 HydrophobicContact CG1-CD2 3.8Å; I719-L767 HydrophobicContact CG2-CD2 4.04Å |
| 720 | A | 88.7 | Confident | 91.2 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 20% | 0.198 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F718 Q738 D766 | F718-A720 PolarHBondContact O-N 2.96Å; A720-Q738 WeakPolarHBondContact O-CG 3.34Å; A720-Q738 PolarHBondContact O-NE2 3.32Å; A720-D766 WeakPolarHBondContact CA-O 3.35Å; A720-D766 HydrophobicContact CB-CB 4.27Å; A720-D766 WeakPolarHBondContact CB-O 3.45Å; A720-D766 PolarHBondContact N-O 2.95Å |
| 721 | R | 89.3 | Confident | 91.3 | Very high | 148 Ų | 148 | 42.3 Ų | 42.3 | 56% | 0.558 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 161 | 175.2 | -64.9 | -174.4 | 168.9 | 159.4 | -9.1 | 111.4 | C765 D766 | R721-C765 VanDerWaalsContact O-CA 3.29Å; R721-C765 WeakPolarHBondContact O-CA 3.48Å; R721-D766 HydrophobicContact CB-CB 4.02Å; R721-D766 WeakPolarHBondContact CD-OD2 3.42Å; R721-D766 PolarHBondContact N-O 3.37Å; R721-D766 VanDerWaalsContact N-O 3.13Å; R721-D766 PolarHBondContact O-N 3.42Å |
| 722 | G | 91.2 | Very high | 91.3 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 97.2 | -160.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T763 | G722-T763 WeakPolarHBondContact CA-OG1 3.4Š|
| 723 | S | 95.1 | Very high | 91.3 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | trans | -151.4 | 137.4 | 178.6 | -45.7 | 0 | 0 | 0 | 0 | 110.4 | L736 L762 T763 C765 | S723-L736 CarbonylContact C-O 3.56Å; S723-L736 VanDerWaalsContact CA-O 3.27Å; S723-L736 WeakPolarHBondContact CA-O 3.48Å; S723-L762 WeakPolarHBondContact O-CB 3.4Å; S723-L762 PolarHBondContact O-N 3.45Å; S723-T763 PolarHBondContact N-OG1 2.79Å; S723-C765 PolarHBondContact N-SG 2.91Å; S723-C765 VanDerWaalsContact N-SG 3.36Å; S723-C765 PolarHBondContact O-SG 2.94Å | ||
| 724 | I | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.8 | -174.7 | -75.7 | 177 | 0 | 0 | 0 | 109.1 | L706 I719 V735 L736 F742 V759 R760 L767 | L706-I724 HydrophobicContact CD1-CD1 3.65Å; L706-I724 HydrophobicContact CD1-CG1 4.45Å; I719-I724 HydrophobicContact CD1-CB 4.21Å; I719-I724 HydrophobicContact CD1-CD1 4.02Å; I719-I724 HydrophobicContact CD1-CG1 4.37Å; I719-I724 HydrophobicContact CG1-CD1 4.4Å; I724-V735 CarbonylContact O-C 3.57Å; I724-V735 VanDerWaalsContact O-CA 3.25Å; I724-V735 WeakPolarHBondContact O-CA 3.33Å; I724-L736 PolarHBondContact N-O 3.22Å; I724-L736 PolarHBondContact O-N 3.2Å; I724-F742 HydrophobicContact CD1-CE1 3.77Å; I724-F742 HydrophobicContact CD1-CZ 4.06Å; I724-V759 HydrophobicContact CG2-CG1 3.34Å; I724-R760 CarbonylContact C-O 3.57Å; I724-R760 WeakPolarHBondContact CA-O 3.35Å; I724-L767 HydrophobicContact CD1-CD1 3.91Å; I724-L767 HydrophobicContact CD1-CD2 3.78Å; I724-L767 HydrophobicContact CD1-CG 4.43Å |
| 725 | E | 95.1 | Very high | 91.7 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 145.2 | 171.4 | 67.2 | -169.1 | 139.1 | 0 | 0 | 111.3 | M727 I732 A734 V735 R760 L762 | E725-M727 HydrophobicContact CG-CG 4.41Å; E725-M727 HydrophobicContact CG-SD 4.46Å; E725-I732 HydrophobicContact CB-CG2 4.17Å; E725-I732 VanDerWaalsContact OE2-CD1 3.25Å; E725-I732 WeakPolarHBondContact OE2-CD1 3.35Å; E725-I732 WeakPolarHBondContact OE2-CG1 3.47Å; E725-A734 WeakPolarHBondContact CA-O 3.48Å; E725-V735 HydrophobicContact CB-CG2 4.38Å; E725-R760 HydrophobicContact CG-CB 3.92Å; E725-R760 PolarHBondContact N-O 3.23Å; E725-R760 PolarHBondContact O-N 2.83Å; E725-R760 IonicContact OE1-CZ 3.73Å; E725-R760 IonicContact OE1-NE 3.25Å; E725-R760 PolarHBondContact OE1-NE 3.1Å; E725-R760 IonicContact OE1-NH2 2.85Å; E725-R760 PolarHBondContact OE1-NH2 3.22Å; E725-R760 IonicContact OE2-CZ 2.72Å; E725-R760 IonicContact OE2-NH2 2.66Å; E725-R760 PolarHBondContact OE2-NH2 3.39Å; E725-L762 HydrophobicContact CB-CD1 4.1Å; E725-L762 HydrophobicContact CB-CD2 4.3Å; E725-L762 HydrophobicContact CB-CG 4.04Å; E725-L762 VanDerWaalsContact CD-CD2 3.46Å; E725-L762 HydrophobicContact CG-CD2 4.17Å; E725-L762 HydrophobicContact CG-CG 4.17Å; E725-L762 VanDerWaalsContact OE1-CD2 3.27Å; E725-L762 WeakPolarHBondContact OE1-CD2 3.5Å |
| 726 | I | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.2 | 175.6 | -57.4 | -179.8 | 0 | 0 | 0 | 108.3 | L733 A734 L736 Y757 V759 F797 L799 | I726-L733 PolarHBondContact O-N 3.17Å; I726-A734 HydrophobicContact CB-CB 4.48Å; I726-A734 PolarHBondContact N-O 3.33Å; I726-L736 HydrophobicContact CD1-CD1 3.81Å; I726-L736 HydrophobicContact CD1-CG 4.13Å; I726-Y757 HydrophobicContact CG2-CD1 4.38Å; I726-Y757 HydrophobicContact CG2-CG 3.99Å; I726-V759 HydrophobicContact CG1-CG2 4.39Å; I726-F797 HydrophobicContact CD1-CB 3.72Å; I726-F797 HydrophobicContact CD1-CD1 3.59Å; I726-F797 HydrophobicContact CD1-CD2 4.02Å; I726-F797 HydrophobicContact CD1-CE1 4.17Å; I726-F797 HydrophobicContact CD1-CG 3.5Å; I726-F797 VanDerWaalsContact CD1-CG 3.5Å; I726-F797 HydrophobicContact CG2-CD1 4.29Å; I726-F797 HydrophobicContact CG2-CE1 3.82Å; I726-F797 HydrophobicContact CG2-CZ 4.03Å; I726-L799 HydrophobicContact CD1-CD2 4.38Å; I726-L799 HydrophobicContact CG2-CD2 4.33Å |
| 727 | M | 92.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.044 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145.1 | -169.6 | -59.4 | 173.3 | -71.3 | 0 | 0 | 113.5 | E725 D731 I732 Y757 S758 R760 | E725-M727 HydrophobicContact CG-CG 4.41Å; E725-M727 HydrophobicContact CG-SD 4.46Å; M727-D731 CarbonylContact C-O 3.56Å; M727-D731 WeakPolarHBondContact CA-O 3.21Å; M727-I732 HydrophobicContact CG-CG1 4.23Å; M727-Y757 WeakPolarHBondContact O-CA 3.3Å; M727-S758 PolarHBondContact N-O 2.97Å; M727-S758 PolarHBondContact O-N 3.26Å; M727-R760 HydrophobicContact CE-CB 3.63Å; M727-R760 PolarHBondContact SD-NH2 3.42Å |
| 728 | I | 91.3 | Very high | 91.8 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 40% | 0.4 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 112.5 | 155.4 | -58.9 | 174.5 | 0 | 0 | 0 | 107.6 | C730 D731 L733 Y757 | I728-C730 PolarHBondContact O-N 2.93Å; I728-D731 PolarHBondContact N-O 2.91Å; I728-D731 PolarHBondContact O-N 3.19Å; I728-L733 HydrophobicContact CD1-CD1 3.84Å; I728-L733 HydrophobicContact CD1-CD2 4.24Å; I728-L733 HydrophobicContact CD1-CG 4.36Å; I728-L733 HydrophobicContact CG1-CD1 3.78Å; I728-L733 HydrophobicContact CG1-CD2 4.5Å; I728-L733 HydrophobicContact CG1-CG 4.19Å; I728-Y757 HydrophobicContact CD1-CD1 4.32Å; I728-Y757 HydrophobicContact CD1-CE1 3.96Å; I728-Y757 HydrophobicContact CG1-CD1 3.6Å; I728-Y757 HydrophobicContact CG1-CE1 3.77Å |
| 729 | G | 86.8 | Confident | 91.5 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 68% | 0.68 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | -104 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 730 | C | 85.1 | Confident | 91.4 | Very high | 124 Ų | 124 | 57 Ų | 57 | 84% | 0.838 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -13.5 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | I728 | I728-C730 PolarHBondContact O-N 2.93Š|
| 731 | D | 90.8 | Very high | 91.6 | Very high | 118 Ų | 118 | 56.3 Ų | 56.3 | 63% | 0.631 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.6 | -170.6 | -62.2 | -48.8 | 0 | 0 | 0 | 111.5 | M727 I728 | M727-D731 CarbonylContact C-O 3.56Å; M727-D731 WeakPolarHBondContact CA-O 3.21Å; I728-D731 PolarHBondContact N-O 2.91Å; I728-D731 PolarHBondContact O-N 3.19Å |
| 732 | I | 91.4 | Very high | 91.7 | Very high | 99 Ų | 99 | 49.3 Ų | 49.3 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124.2 | 176.8 | -56.3 | 166.7 | 0 | 0 | 0 | 108.8 | E725 M727 V735 | E725-I732 HydrophobicContact CB-CG2 4.17Å; E725-I732 VanDerWaalsContact OE2-CD1 3.25Å; E725-I732 WeakPolarHBondContact OE2-CD1 3.35Å; E725-I732 WeakPolarHBondContact OE2-CG1 3.47Å; M727-I732 HydrophobicContact CG-CG1 4.23Å; I732-V735 HydrophobicContact CG2-CG2 4.36Å |
| 733 | L | 90.9 | Very high | 91.6 | Very high | 87 Ų | 87 | 48.3 Ų | 48.3 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -45.4 | 176.5 | -66.7 | -173.6 | 0 | 0 | 0 | 113.1 | I726 I728 Y757 F797 | I726-L733 PolarHBondContact O-N 3.17Å; I728-L733 HydrophobicContact CD1-CD1 3.84Å; I728-L733 HydrophobicContact CD1-CD2 4.24Å; I728-L733 HydrophobicContact CD1-CG 4.36Å; I728-L733 HydrophobicContact CG1-CD1 3.78Å; I728-L733 HydrophobicContact CG1-CD2 4.5Å; I728-L733 HydrophobicContact CG1-CG 4.19Å; L733-Y757 HydrophobicContact CD1-CD1 3.7Å; L733-Y757 HydrophobicContact CD1-CE1 3.41Å; L733-Y757 VanDerWaalsContact CD1-CE1 3.41Å; L733-F797 HydrophobicContact CD1-CZ 4.08Å |
| 734 | A | 92.1 | Very high | 91.2 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E725 I726 F797 | E725-A734 WeakPolarHBondContact CA-O 3.48Å; I726-A734 HydrophobicContact CB-CB 4.48Å; I726-A734 PolarHBondContact N-O 3.33Å; A734-F797 HydrophobicContact CB-CD2 3.97Å; A734-F797 HydrophobicContact CB-CE2 3.94Å |
| 735 | V | 94.4 | Very high | 90.6 | Very high | 88 Ų | 88 | 47.8 Ų | 47.8 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.8 | 168.7 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | I724 E725 I732 L762 | I724-V735 CarbonylContact O-C 3.57Å; I724-V735 VanDerWaalsContact O-CA 3.25Å; I724-V735 WeakPolarHBondContact O-CA 3.33Å; E725-V735 HydrophobicContact CB-CG2 4.38Å; I732-V735 HydrophobicContact CG2-CG2 4.36Å; V735-L762 HydrophobicContact CG1-CD1 3.77Å; V735-L762 HydrophobicContact CG2-CD1 4.07Å |
| 736 | L | 94.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 142.1 | 177.1 | -57.6 | -174.7 | 0 | 0 | 0 | 110.2 | I719 S723 I724 I726 D740 F742 T796 F797 | I719-L736 HydrophobicContact CD1-CB 3.47Å; I719-L736 VanDerWaalsContact CD1-CB 3.47Å; I719-L736 HydrophobicContact CD1-CD1 4.3Å; S723-L736 CarbonylContact C-O 3.56Å; S723-L736 VanDerWaalsContact CA-O 3.27Å; S723-L736 WeakPolarHBondContact CA-O 3.48Å; I724-L736 PolarHBondContact N-O 3.22Å; I724-L736 PolarHBondContact O-N 3.2Å; I726-L736 HydrophobicContact CD1-CD1 3.81Å; I726-L736 HydrophobicContact CD1-CG 4.13Å; L736-D740 WeakPolarHBondContact CA-OD2 3.21Å; L736-D740 HydrophobicContact CB-CB 3.96Å; L736-D740 HydrophobicContact CD2-CB 4.28Å; L736-D740 HydrophobicContact CG-CB 4.49Å; L736-F742 HydrophobicContact CD1-CB 3.75Å; L736-F742 HydrophobicContact CD1-CD1 3.93Å; L736-F742 HydrophobicContact CD1-CG 4.18Å; L736-T796 HydrophobicContact CD2-CG2 3.64Å; L736-F797 HydrophobicContact CD1-CB 4.43Å; L736-F797 HydrophobicContact CD2-CB 4.5Å |
| 737 | G | 92.8 | Very high | 88.7 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | trans | -120.3 | -162.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I719 G739 D740 | I719-G737 VanDerWaalsContact CB-O 3.26Å; I719-G737 WeakPolarHBondContact CB-O 3.39Å; I719-G737 VanDerWaalsContact CG2-O 3.28Å; I719-G737 WeakPolarHBondContact CG2-O 3.33Å; G737-G739 PolarHBondContact O-N 3.5Å; G737-D740 PolarHBondContact N-OD2 3.27Å; G737-D740 PolarHBondContact O-N 3.42Å | ||
| 738 | Q | 90.6 | Very high | 87.8 | Confident | 146 Ų | 146 | 53.9 Ų | 53.9 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 125.4 | 179 | 172.9 | 169.6 | 55.3 | 0 | 0 | 111.6 | A720 | A720-Q738 WeakPolarHBondContact O-CG 3.34Å; A720-Q738 PolarHBondContact O-NE2 3.32Å |
| 739 | G | 85.2 | Confident | 86.9 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 45% | 0.454 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.3 | -16 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I719 G737 | I719-G739 PolarHBondContact O-N 3.47Å; G737-G739 PolarHBondContact O-N 3.5Å |
| 740 | D | 91.4 | Very high | 86.3 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | trans | -72.8 | 157 | -178.4 | -75.5 | -44.5 | 0 | 0 | 0 | 113.7 | I719 L736 G737 T796 | I719-D740 HydrophobicContact CD1-CB 4.24Å; I719-D740 PolarHBondContact N-O 3.36Å; L736-D740 WeakPolarHBondContact CA-OD2 3.21Å; L736-D740 HydrophobicContact CB-CB 3.96Å; L736-D740 HydrophobicContact CD2-CB 4.28Å; L736-D740 HydrophobicContact CG-CB 4.49Å; G737-D740 PolarHBondContact N-OD2 3.27Å; G737-D740 PolarHBondContact O-N 3.42Å; D740-T796 WeakPolarHBondContact CA-OG1 3.37Å; D740-T796 HydrophobicContact CB-CG2 4.4Å; D740-T796 WeakPolarHBondContact CB-OG1 3.4Å; D740-T796 WeakPolarHBondContact OD1-CG2 3.39Å; D740-T796 PolarHBondContact OD1-OG1 3.13Å | ||
| 741 | V | 92 | Very high | 86 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.7 | -177.4 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | L716 C717 F718 T796 F797 | L716-V741 HydrophobicContact CD1-CG1 3.82Å; L716-V741 HydrophobicContact CD2-CG1 4.43Å; L716-V741 HydrophobicContact CG-CG1 4.09Å; C717-V741 WeakPolarHBondContact O-CA 3.44Å; F718-V741 HydrophobicContact CD1-CB 4.35Å; F718-V741 HydrophobicContact CD1-CG1 3.98Å; F718-V741 HydrophobicContact CD1-CG2 3.5Å; F718-V741 VanDerWaalsContact CD1-CG2 3.5Å; F718-V741 HydrophobicContact CE1-CG1 3.92Å; F718-V741 HydrophobicContact CE1-CG2 3.84Å; F718-V741 HydrophobicContact CG-CG1 4.47Å; F718-V741 HydrophobicContact CG-CG2 4.42Å; F718-V741 HydrophobicContact CZ-CG1 4.38Å; V741-T796 PolarHBondContact N-OG1 3.32Å; V741-T796 VanDerWaalsContact N-OG1 3.13Å; V741-T796 WeakPolarHBondContact O-CB 3.47Å; V741-T796 PolarHBondContact O-N 3.28Å; V741-F797 PolarHBondContact O-N 2.92Å |
| 742 | F | 92.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.4 | 176.9 | 69.7 | -92.6 | 0 | 0 | 0 | 112.6 | L706 F715 C717 I719 I724 L736 V759 L767 L799 | L706-F742 HydrophobicContact CD1-CZ 4.38Å; F715-F742 HydrophobicContact CE2-CE2 4.38Å; C717-F742 HydrophobicContact CB-CD1 4.1Å; C717-F742 HydrophobicContact CB-CD2 4.16Å; C717-F742 HydrophobicContact CB-CE1 3.62Å; C717-F742 HydrophobicContact CB-CE2 3.7Å; C717-F742 HydrophobicContact CB-CG 4.36Å; C717-F742 HydrophobicContact CB-CZ 3.42Å; C717-F742 VanDerWaalsContact CB-CZ 3.42Å; C717-F742 PolarHBondContact N-O 3.46Å; C717-F742 PolarHBondContact O-N 2.96Å; I719-F742 HydrophobicContact CD1-CD1 4.2Å; I719-F742 HydrophobicContact CD1-CE1 4.18Å; I719-F742 HydrophobicContact CG1-CD1 4.15Å; I719-F742 HydrophobicContact CG1-CE1 3.96Å; I724-F742 HydrophobicContact CD1-CE1 3.77Å; I724-F742 HydrophobicContact CD1-CZ 4.06Å; L736-F742 HydrophobicContact CD1-CB 3.75Å; L736-F742 HydrophobicContact CD1-CD1 3.93Å; L736-F742 HydrophobicContact CD1-CG 4.18Å; F742-V759 HydrophobicContact CE2-CG1 4.15Å; F742-V759 HydrophobicContact CZ-CG1 4.35Å; F742-L767 HydrophobicContact CZ-CD1 4.2Å; F742-L799 HydrophobicContact CD2-CD1 4.06Å |
| 743 | G | 89.3 | Confident | 85.1 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.4 | -145 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | D798 L799 | G743-D798 WeakPolarHBondContact O-CA 2.92Å; G743-L799 PolarHBondContact O-N 3.27Å |
| 744 | E | 86.4 | Confident | 85 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | trans | -113.6 | 149.8 | 166.1 | -173.2 | -167.7 | 132.4 | 0 | 0 | 108 | L713 P746 F749 G753 R772 R800 | L713-E744 HydrophobicContact CB-CB 4.01Å; L713-E744 HydrophobicContact CD1-CB 4.01Å; E744-P746 WeakPolarHBondContact O-CD 3.33Å; E744-F749 HydrophobicContact CG-CD2 4.17Å; E744-G753 WeakPolarHBondContact OE2-CA 3.04Å; E744-G753 PolarHBondContact OE2-N 3.19Å; E744-R772 IonicContact OE1-CZ 3.4Å; E744-R772 IonicContact OE1-NH1 2.72Å; E744-R772 PolarHBondContact OE1-NH1 3Å; E744-R772 IonicContact OE2-NH1 2.86Å; E744-R800 HydrophobicContact CG-CB 4.48Å; E744-R800 IonicContact OE1-NH1 3.62Å; E744-R800 PolarHBondContact OE1-NH1 3.13Å; E744-R800 IonicContact OE2-NH1 3.22Å; E744-R800 PolarHBondContact OE2-NH1 3.03Å | ||
| 745 | N | 83 | Confident | 84.9 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | trans | -73.4 | 112 | 168 | -171.3 | -9.2 | 0 | 0 | 0 | 110.3 | T747 D748 I795 | N745-T747 PolarHBondContact ND2-OG1 2.89Å; N745-T747 PolarHBondContact O-N 3.03Å; N745-T747 VanDerWaalsContact O-N 3.12Å; N745-T747 PolarHBondContact OD1-N 3.4Å; N745-T747 PolarHBondContact OD1-OG1 3.14Å; N745-D748 HydrophobicContact CB-CB 4.4Å; N745-D748 VanDerWaalsContact ND2-CG 3.31Å; N745-D748 PolarHBondContact ND2-OD2 3.19Å; N745-D748 PolarHBondContact O-N 2.83Å; N745-I795 HydrophobicContact CB-CD1 3.79Å | ||
| 746 | P | 76.5 | Confident | 84.6 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 7% | 0.071 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -12 | -178.8 | 31.3 | -37.6 | 0 | 0 | 0 | 113.2 | E744 R772 L775 L776 | E744-P746 WeakPolarHBondContact O-CD 3.33Å; P746-R772 HydrophobicContact CB-CG 4.29Å; P746-L775 HydrophobicContact CG-CD2 3.98Å; P746-L776 HydrophobicContact CB-CD2 4.3Å |
| 747 | T | 73.1 | Confident | 84.6 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 26% | 0.258 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -6.1 | -175.2 | 71 | 0 | 0 | 0 | 0 | 114.6 | N745 L779 K790 | N745-T747 PolarHBondContact ND2-OG1 2.89Å; N745-T747 PolarHBondContact O-N 3.03Å; N745-T747 VanDerWaalsContact O-N 3.12Å; N745-T747 PolarHBondContact OD1-N 3.4Å; N745-T747 PolarHBondContact OD1-OG1 3.14Å; T747-L779 HydrophobicContact CG2-CD1 4.29Å; T747-K790 VanDerWaalsContact C-NZ 3.33Å; T747-K790 PolarHBondContact O-NZ 3.31Å; T747-K790 PolarHBondContact OG1-NZ 3.36Å |
| 748 | D | 74.5 | Confident | 84.6 | Confident | 95 Ų | 95 | 48.4 Ų | 48.4 | 51% | 0.508 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -25.4 | -176.7 | -69.4 | -26.7 | 0 | 0 | 0 | 113.3 | N745 K790 | N745-D748 HydrophobicContact CB-CB 4.4Å; N745-D748 VanDerWaalsContact ND2-CG 3.31Å; N745-D748 PolarHBondContact ND2-OD2 3.19Å; N745-D748 PolarHBondContact O-N 2.83Å; D748-K790 IonicContact OD1-NZ 2.84Å; D748-K790 PolarHBondContact OD1-NZ 3.1Å |
| 749 | F | 72.5 | Confident | 84.8 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 21% | 0.206 | 23% | 0.228 | C | C | . | . | trans | -126.9 | 136.7 | -178.7 | -51.2 | -75.4 | 0 | 0 | 0 | 110.9 | E744 R772 R800 Y802 | E744-F749 HydrophobicContact CG-CD2 4.17Å; F749-R772 PolarHBondContact O-NH2 2.68Å; F749-R800 VanDerWaalsContact CG-NH1 3.31Å; F749-Y802 HydrophobicContact CE1-CE1 4.22Å; F749-Y802 AromaticContact CZ-CE1 3.7Å; F749-Y802 HydrophobicContact CZ-CE1 3.7Å; F749-Y802 AromaticContact CZ-CZ 3.95Å; F749-Y802 WeakPolarHBondContact CZ-OH 3.3Å | ||
| 750 | I | 73.1 | Confident | 85.2 | Confident | 178 Ų | 178 | 43.1 Ų | 43.1 | 91% | 0.913 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -75.7 | -38.9 | 174.2 | -60 | 172.6 | 0 | 0 | 0 | 110.5 | R772 | I750-R772 PolarHBondContact O-NH2 3.38Å; I750-R772 VanDerWaalsContact O-NH2 3.13Å |
| 751 | S | 79.4 | Confident | 85.3 | Confident | 56 Ų | 56 | 41.1 Ų | 41.1 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -84.9 | 146.4 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | R800 | S751-R800 PolarHBondContact O-NH1 3.23Å; S751-R800 PolarHBondContact O-NH2 3.02Å; S751-R800 PolarHBondContact OG-NH2 3.4Å |
| 752 | M | 80.7 | Confident | 85.3 | Confident | 100 Ų | 100 | 44.1 Ų | 44.1 | 49% | 0.493 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 138.8 | 167.1 | -67.3 | 175.6 | -80.4 | 0 | 0 | 110.8 | V712 N714 | V712-M752 HydrophobicContact CG1-CB 3.82Å; V712-M752 HydrophobicContact CG1-CG 4.37Å; V712-M752 HydrophobicContact CG1-SD 3.81Å; N714-M752 HydrophobicContact CB-SD 4.29Å |
| 753 | G | 82.5 | Confident | 85.3 | Confident | 4 Ų | 4 | 47 Ų | 47 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -92.2 | 166.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L713 E744 | L713-G753 PolarHBondContact N-O 2.91Å; E744-G753 WeakPolarHBondContact OE2-CA 3.04Å; E744-G753 PolarHBondContact OE2-N 3.19Å |
| 754 | Q | 89 | Confident | 85.2 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -91.1 | 148.7 | 165 | -66.5 | -178.9 | 70.3 | 0 | 0 | 110.5 | D711 D801 D804 | D711-Q754 CarbonylContact O-C 3.48Å; D711-Q754 WeakPolarHBondContact O-CA 3.4Å; Q754-D801 PolarHBondContact O-N 3.43Å; Q754-D804 PolarHBondContact NE2-OD1 2.86Å; Q754-D804 PolarHBondContact NE2-OD2 2.82Å |
| 755 | S | 90.1 | Very high | 85.4 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 124.6 | 173 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | V707 K709 G710 D711 Y757 L799 | V707-S755 WeakPolarHBondContact CG1-OG 3.39Å; K709-S755 CarbonylContact C-O 3.57Å; K709-S755 WeakPolarHBondContact CA-O 3.34Å; G710-S755 PolarHBondContact N-O 3.08Å; D711-S755 PolarHBondContact O-N 3.03Å; S755-Y757 VanDerWaalsContact C-N 3.27Å; S755-Y757 PolarHBondContact OG-N 2.67Å; S755-Y757 PolarHBondContact OG-O 2.94Å; S755-L799 WeakPolarHBondContact CA-O 3.35Å |
| 756 | K | 88.4 | Confident | 85.6 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 27% | 0.274 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -72.9 | -22.1 | 170.6 | -176.1 | 165.5 | -167.4 | 149.3 | 0 | 113 | K709 L799 D801 | K709-K756 WeakPolarHBondContact CD-O 3.47Å; K709-K756 WeakPolarHBondContact CG-O 3.4Å; K756-L799 PolarHBondContact N-O 3.41Å; K756-D801 HydrophobicContact CB-CB 3.71Å; K756-D801 HydrophobicContact CD-CB 4.35Å; K756-D801 WeakPolarHBondContact CD-OD1 3.47Å; K756-D801 HydrophobicContact CG-CB 4.26Å; K756-D801 WeakPolarHBondContact CG-OD2 3.49Å; K756-D801 IonicContact NZ-OD1 2.78Å; K756-D801 PolarHBondContact NZ-OD1 3.26Å |
| 757 | Y | 92.7 | Very high | 86.4 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -123.6 | 160.5 | -165.9 | -47.8 | -81.2 | 0 | 0 | 0 | 112.1 | H708 K709 I726 M727 I728 L733 S755 F797 L799 | H708-Y757 CarbonylContact C-O 3.55Å; K709-Y757 PolarHBondContact N-O 3.13Å; I726-Y757 HydrophobicContact CG2-CD1 4.38Å; I726-Y757 HydrophobicContact CG2-CG 3.99Å; M727-Y757 WeakPolarHBondContact O-CA 3.3Å; I728-Y757 HydrophobicContact CD1-CD1 4.32Å; I728-Y757 HydrophobicContact CD1-CE1 3.96Å; I728-Y757 HydrophobicContact CG1-CD1 3.6Å; I728-Y757 HydrophobicContact CG1-CE1 3.77Å; L733-Y757 HydrophobicContact CD1-CD1 3.7Å; L733-Y757 HydrophobicContact CD1-CE1 3.41Å; L733-Y757 VanDerWaalsContact CD1-CE1 3.41Å; S755-Y757 VanDerWaalsContact C-N 3.27Å; S755-Y757 PolarHBondContact OG-N 2.67Å; S755-Y757 PolarHBondContact OG-O 2.94Å; Y757-F797 HydrophobicContact CD1-CE1 4.5Å; Y757-F797 AromaticContact CD2-CE1 3.68Å; Y757-F797 HydrophobicContact CD2-CE1 3.68Å; Y757-F797 HydrophobicContact CD2-CZ 4.45Å; Y757-F797 HydrophobicContact CE1-CE1 4.4Å; Y757-F797 HydrophobicContact CE1-CZ 4.28Å; Y757-F797 AromaticContact CE2-CE1 3.53Å; Y757-F797 HydrophobicContact CE2-CE1 3.53Å; Y757-F797 HydrophobicContact CE2-CZ 4.13Å; Y757-F797 HydrophobicContact CG-CE1 4.16Å; Y757-F797 AromaticContact CZ-CE1 3.92Å; Y757-L799 HydrophobicContact CD2-CD2 3.98Å |
| 758 | S | 93.7 | Very high | 87.2 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.3 | 168.2 | -64.6 | 0 | 0 | 0 | 0 | 110 | V707 K709 M727 | V707-S758 CarbonylContact O-C 3.45Å; V707-S758 VanDerWaalsContact O-CA 3.31Å; V707-S758 WeakPolarHBondContact O-CA 3.29Å; K709-S758 PolarHBondContact N-OG 3.34Å; M727-S758 PolarHBondContact N-O 2.97Å; M727-S758 PolarHBondContact O-N 3.26Å |
| 759 | V | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.4 | -176.6 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | T705 L706 V707 I724 I726 F742 L799 | T705-V759 CarbonylContact C-O 3.45Å; T705-V759 VanDerWaalsContact CA-O 3.31Å; T705-V759 WeakPolarHBondContact CA-O 3.41Å; L706-V759 HydrophobicContact CB-CB 4.41Å; L706-V759 HydrophobicContact CB-CG1 4.27Å; L706-V759 HydrophobicContact CD1-CG1 4.38Å; L706-V759 PolarHBondContact N-O 2.99Å; V707-V759 HydrophobicContact CB-CB 4.05Å; V707-V759 HydrophobicContact CB-CG2 3.95Å; V707-V759 HydrophobicContact CG2-CB 4.34Å; V707-V759 HydrophobicContact CG2-CG2 4.27Å; V707-V759 PolarHBondContact O-N 3.26Å; I724-V759 HydrophobicContact CG2-CG1 3.34Å; I726-V759 HydrophobicContact CG1-CG2 4.39Å; F742-V759 HydrophobicContact CE2-CG1 4.15Å; F742-V759 HydrophobicContact CZ-CG1 4.35Å; V759-L799 HydrophobicContact CG2-CD1 3.94Å; V759-L799 HydrophobicContact CG2-CD2 3.76Å |
| 760 | R | 94 | Very high | 89.1 | Confident | 79 Ų | 79 | 48.9 Ų | 48.9 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.8 | -175.7 | -172.5 | 171.3 | 67.9 | -151.5 | -4.9 | 111.8 | G703 D704 T705 I724 E725 M727 | G703-R760 WeakPolarHBondContact O-CD 3.4Å; D704-R760 WeakPolarHBondContact O-CA 3.48Å; T705-R760 HydrophobicContact CG2-CB 4.19Å; T705-R760 HydrophobicContact CG2-CG 4.2Å; I724-R760 CarbonylContact C-O 3.57Å; I724-R760 WeakPolarHBondContact CA-O 3.35Å; E725-R760 HydrophobicContact CG-CB 3.92Å; E725-R760 PolarHBondContact N-O 3.23Å; E725-R760 PolarHBondContact O-N 2.83Å; E725-R760 IonicContact OE1-CZ 3.73Å; E725-R760 IonicContact OE1-NE 3.25Å; E725-R760 PolarHBondContact OE1-NE 3.1Å; E725-R760 IonicContact OE1-NH2 2.85Å; E725-R760 PolarHBondContact OE1-NH2 3.22Å; E725-R760 IonicContact OE2-CZ 2.72Å; E725-R760 IonicContact OE2-NH2 2.66Å; E725-R760 PolarHBondContact OE2-NH2 3.39Å; M727-R760 HydrophobicContact CE-CB 3.63Å; M727-R760 PolarHBondContact SD-NH2 3.42Å |
| 761 | A | 94.2 | Very high | 90 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 130.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V700 P701 G703 D704 | V700-A761 HydrophobicContact CB-CB 4.22Å; V700-A761 HydrophobicContact CG1-CB 3.69Å; P701-A761 WeakPolarHBondContact O-CB 3.49Å; G703-A761 PolarHBondContact N-O 2.88Å; D704-A761 PolarHBondContact O-N 3.49Å |
| 762 | L | 92.2 | Very high | 90.5 | Very high | 75 Ų | 75 | 41.7 Ų | 41.7 | 39% | 0.393 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -86.8 | -32.3 | 173.1 | -72.2 | 170 | 0 | 0 | 0 | 112.1 | P702 S723 E725 V735 | P702-L762 WeakPolarHBondContact CB-O 3.42Å; S723-L762 WeakPolarHBondContact O-CB 3.4Å; S723-L762 PolarHBondContact O-N 3.45Å; E725-L762 HydrophobicContact CB-CD1 4.1Å; E725-L762 HydrophobicContact CB-CD2 4.3Å; E725-L762 HydrophobicContact CB-CG 4.04Å; E725-L762 VanDerWaalsContact CD-CD2 3.46Å; E725-L762 HydrophobicContact CG-CD2 4.17Å; E725-L762 HydrophobicContact CG-CG 4.17Å; E725-L762 VanDerWaalsContact OE1-CD2 3.27Å; E725-L762 WeakPolarHBondContact OE1-CD2 3.5Å; V735-L762 HydrophobicContact CG1-CD1 3.77Å; V735-L762 HydrophobicContact CG2-CD1 4.07Å |
| 763 | T | 91.2 | Very high | 91 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 37% | 0.368 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -131.4 | 179.8 | -179.2 | 58 | 0 | 0 | 0 | 0 | 110.1 | G722 S723 C765 | G722-T763 WeakPolarHBondContact CA-OG1 3.4Å; S723-T763 PolarHBondContact N-OG1 2.79Å; T763-C765 PolarHBondContact O-N 3.22Å; T763-C765 VanDerWaalsContact O-N 3.15Å; T763-C765 PolarHBondContact O-SG 3.08Å |
| 764 | Y | 87.2 | Confident | 91.5 | Very high | 135 Ų | 135 | 42.9 Ų | 42.9 | 53% | 0.529 | 20% | 0.2 | S | C | . | . | trans | -65.7 | 113 | 168.5 | -70.4 | -84.4 | 0 | 0 | 0 | 109.4 | H640 V700 P701 P702 | H640-Y764 AromaticContact CD2-CE1 3.82Å; H640-Y764 AromaticContact CE1-CD1 3.94Å; H640-Y764 AromaticContact NE2-CD1 3.74Å; H640-Y764 AromaticContact NE2-CE1 3.72Å; V700-Y764 WeakPolarHBondContact O-CA 3.38Å; P701-Y764 HydrophobicContact CB-CD1 4.24Å; P701-Y764 HydrophobicContact CB-CE1 3.89Å; P702-Y764 HydrophobicContact CG-CD2 4.42Å; P702-Y764 HydrophobicContact CG-CE2 4.08Å | ||
| 765 | C | 90 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132 | -175.3 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | H699 V700 R721 S723 T763 L767 | H699-C765 WeakPolarHBondContact CA-O 3.44Å; V700-C765 HydrophobicContact CB-CB 4.24Å; V700-C765 PolarHBondContact N-O 2.88Å; V700-C765 PolarHBondContact O-N 2.91Å; R721-C765 VanDerWaalsContact O-CA 3.29Å; R721-C765 WeakPolarHBondContact O-CA 3.48Å; S723-C765 PolarHBondContact N-SG 2.91Å; S723-C765 VanDerWaalsContact N-SG 3.36Å; S723-C765 PolarHBondContact O-SG 2.94Å; T763-C765 PolarHBondContact O-N 3.22Å; T763-C765 VanDerWaalsContact O-N 3.15Å; T763-C765 PolarHBondContact O-SG 3.08Å; C765-L767 HydrophobicContact CB-CD2 4.21Å; C765-L767 HydrophobicContact CB-CG 4.38Å |
| 766 | D | 89 | Confident | 91.7 | Very high | 34 Ų | 34 | 42 Ų | 42 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 114.8 | 169.2 | -63.2 | -25.4 | 0 | 0 | 0 | 107.4 | H699 A720 R721 | H699-D766 IonicContact CE1-OD1 2.78Å; H699-D766 PolarHBondContact CE1-OD1 2.91Å; H699-D766 IonicContact CG-OD1 2.66Å; H699-D766 IonicContact ND1-OD1 2.7Å; H699-D766 PolarHBondContact ND1-OD1 3.49Å; A720-D766 WeakPolarHBondContact CA-O 3.35Å; A720-D766 HydrophobicContact CB-CB 4.27Å; A720-D766 WeakPolarHBondContact CB-O 3.45Å; A720-D766 PolarHBondContact N-O 2.95Å; R721-D766 HydrophobicContact CB-CB 4.02Å; R721-D766 WeakPolarHBondContact CD-OD2 3.42Å; R721-D766 PolarHBondContact N-O 3.37Å; R721-D766 VanDerWaalsContact N-O 3.13Å; R721-D766 PolarHBondContact O-N 3.42Å |
| 767 | L | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142 | -177.5 | -53.8 | -177.3 | 0 | 0 | 0 | 111 | T697 T698 V700 L706 F718 I719 I724 F742 C765 | T697-L767 CarbonylContact C-O 3.48Å; T697-L767 WeakPolarHBondContact CA-O 3.41Å; T698-L767 PolarHBondContact N-O 3.05Å; T698-L767 PolarHBondContact O-N 3.48Å; V700-L767 HydrophobicContact CG2-CD1 3.75Å; V700-L767 HydrophobicContact CG2-CG 4.16Å; L706-L767 HydrophobicContact CD1-CD1 3.68Å; L706-L767 HydrophobicContact CD2-CD1 4.18Å; F718-L767 WeakPolarHBondContact O-CA 3.47Å; I719-L767 HydrophobicContact CB-CD2 4.08Å; I719-L767 HydrophobicContact CG1-CD2 3.8Å; I719-L767 HydrophobicContact CG2-CD2 4.04Å; I724-L767 HydrophobicContact CD1-CD1 3.91Å; I724-L767 HydrophobicContact CD1-CD2 3.78Å; I724-L767 HydrophobicContact CD1-CG 4.43Å; F742-L767 HydrophobicContact CZ-CD1 4.2Å; C765-L767 HydrophobicContact CB-CD2 4.21Å; C765-L767 HydrophobicContact CB-CG 4.38Å |
| 768 | H | 91.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 117.8 | 164 | -60.1 | -73.7 | 0 | 0 | 0 | 108.8 | N670 L673 L695 T697 C717 F718 | N670-H768 PolarHBondContact OD1-CE1 3.32Å; N670-H768 VanDerWaalsContact OD1-CE1 3.23Å; N670-H768 PolarHBondContact OD1-ND1 2.95Å; N670-H768 VanDerWaalsContact OD1-ND1 3.08Å; L673-H768 HydrophobicContact CD2-CB 4.06Å; L695-H768 HydrophobicContact CD2-CB 4.23Å; T697-H768 PolarHBondContact OG1-ND1 2.84Å; C717-H768 WeakPolarHBondContact CA-O 3.45Å; F718-H768 HydrophobicContact CB-CB 4.49Å; F718-H768 PolarHBondContact N-O 2.92Å; F718-H768 PolarHBondContact O-N 3.21Å |
| 769 | R | 92 | Very high | 91.8 | Very high | 79 Ų | 79 | 41 Ų | 41 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.7 | 178.3 | -178.7 | 173.2 | 174.9 | 165 | 1.7 | 109.8 | K696 N714 F715 | K696-R769 PolarHBondContact N-O 2.98Å; K696-R769 PolarHBondContact O-N 3.5Å; N714-R769 PolarHBondContact OD1-NH2 2.9Å; F715-R769 HydrophobicContact CB-CG 3.9Å; F715-R769 VanDerWaalsContact CB-NE 3.32Å; F715-R769 VanDerWaalsContact CD1-CZ 3.42Å; F715-R769 HydrophobicContact CD2-CG 3.8Å; F715-R769 HydrophobicContact CG-CG 4.12Å; F715-R769 VanDerWaalsContact CG-CZ 3.5Å; F715-R769 VanDerWaalsContact CG-NE 3.25Å |
| 770 | I | 93.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139.3 | 165.9 | -166.3 | 165.9 | 0 | 0 | 0 | 109.1 | L691 K694 L695 F715 L716 F718 L775 | L691-I770 HydrophobicContact CD2-CD1 4.08Å; K694-I770 HydrophobicContact CB-CD1 4.4Å; K694-I770 HydrophobicContact CB-CG1 4.46Å; L695-I770 HydrophobicContact CD2-CB 3.96Å; L695-I770 HydrophobicContact CG-CD1 4.43Å; F715-I770 WeakPolarHBondContact CA-O 3.34Å; F715-I770 WeakPolarHBondContact CB-O 3.22Å; L716-I770 HydrophobicContact CB-CG2 4.01Å; L716-I770 PolarHBondContact N-O 3.42Å; L716-I770 PolarHBondContact O-N 2.96Å; F718-I770 HydrophobicContact CE2-CG2 4.32Å; I770-L775 HydrophobicContact CD1-CB 3.94Å; I770-L775 HydrophobicContact CD1-CD1 4.18Å; I770-L775 HydrophobicContact CG1-CB 4.14Å; I770-L775 HydrophobicContact CG2-CB 4.48Å; I770-L775 HydrophobicContact CG2-CD2 4.06Å |
| 771 | Q | 92.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 30% | 0.304 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 147.2 | 176.9 | -57.1 | -177.8 | -146.7 | 0 | 0 | 109.5 | D773 D774 L775 | Q771-D773 VanDerWaalsContact C-N 3.32Å; Q771-D773 PolarHBondContact O-N 3.09Å; Q771-D774 HydrophobicContact CB-CB 4.31Å; Q771-D774 WeakPolarHBondContact CB-OD2 3.48Å; Q771-D774 PolarHBondContact O-N 2.88Å; Q771-L775 PolarHBondContact O-N 2.76Å; Q771-L775 VanDerWaalsContact O-N 3.08Å |
| 772 | R | 90.1 | Very high | 91.5 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.4 | -47.7 | -178.8 | 176.6 | 178.5 | 175.1 | 115.3 | 2.2 | 111.8 | N714 E744 P746 F749 I750 L775 L776 | N714-R772 WeakPolarHBondContact O-CB 3.29Å; N714-R772 PolarHBondContact O-N 3.07Å; E744-R772 IonicContact OE1-CZ 3.4Å; E744-R772 IonicContact OE1-NH1 2.72Å; E744-R772 PolarHBondContact OE1-NH1 3Å; E744-R772 IonicContact OE2-NH1 2.86Å; P746-R772 HydrophobicContact CB-CG 4.29Å; F749-R772 PolarHBondContact O-NH2 2.68Å; I750-R772 PolarHBondContact O-NH2 3.38Å; I750-R772 VanDerWaalsContact O-NH2 3.13Å; R772-L775 PolarHBondContact O-N 3.11Å; R772-L776 HydrophobicContact CG-CD1 3.91Å; R772-L776 WeakPolarHBondContact O-CG 3.39Å; R772-L776 PolarHBondContact O-N 3.49Å |
| 773 | D | 91.2 | Very high | 91.4 | Very high | 99 Ų | 99 | 54 Ų | 54 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | -174.6 | -42.8 | -53.7 | 0 | 0 | 0 | 111.3 | Q771 L775 L776 E777 | Q771-D773 VanDerWaalsContact C-N 3.32Å; Q771-D773 PolarHBondContact O-N 3.09Å; D773-L775 VanDerWaalsContact C-N 3.31Å; D773-L775 PolarHBondContact O-N 2.57Å; D773-L776 PolarHBondContact O-N 2.62Å; D773-E777 WeakPolarHBondContact O-CB 3.39Å; D773-E777 PolarHBondContact O-N 3.1Å |
| 774 | D | 93.1 | Very high | 91.3 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 16% | 0.16 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 174.9 | -70.1 | -39.3 | 0 | 0 | 0 | 112.8 | K694 Q771 I778 | K694-D774 HydrophobicContact CB-CB 4Å; K694-D774 HydrophobicContact CD-CB 3.83Å; K694-D774 WeakPolarHBondContact CD-OD1 3.42Å; K694-D774 WeakPolarHBondContact CE-OD1 3.31Å; K694-D774 HydrophobicContact CG-CB 3.97Å; K694-D774 IonicContact NZ-OD1 2.7Å; K694-D774 PolarHBondContact NZ-OD1 3.3Å; Q771-D774 HydrophobicContact CB-CB 4.31Å; Q771-D774 WeakPolarHBondContact CB-OD2 3.48Å; Q771-D774 PolarHBondContact O-N 2.88Å; D774-I778 WeakPolarHBondContact O-CG1 3.37Å; D774-I778 PolarHBondContact O-N 3.44Å |
| 775 | L | 91.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.8 | -41.4 | 177.1 | 176.9 | 54.3 | 0 | 0 | 0 | 111.1 | L691 L716 P746 I770 Q771 R772 D773 I778 L779 F789 | L691-L775 HydrophobicContact CD2-CD1 4.16Å; L716-L775 HydrophobicContact CD2-CD2 4.21Å; P746-L775 HydrophobicContact CG-CD2 3.98Å; I770-L775 HydrophobicContact CD1-CB 3.94Å; I770-L775 HydrophobicContact CD1-CD1 4.18Å; I770-L775 HydrophobicContact CG1-CB 4.14Å; I770-L775 HydrophobicContact CG2-CB 4.48Å; I770-L775 HydrophobicContact CG2-CD2 4.06Å; Q771-L775 PolarHBondContact O-N 2.76Å; Q771-L775 VanDerWaalsContact O-N 3.08Å; R772-L775 PolarHBondContact O-N 3.11Å; D773-L775 VanDerWaalsContact C-N 3.31Å; D773-L775 PolarHBondContact O-N 2.57Å; L775-I778 PolarHBondContact O-N 2.86Å; L775-L779 HydrophobicContact CD1-CD1 3.91Å; L775-L779 HydrophobicContact CD1-CG 4.04Å; L775-L779 HydrophobicContact CG-CD1 3.84Å; L775-L779 HydrophobicContact CG-CG 4.43Å; L775-L779 WeakPolarHBondContact O-CG 3.19Å; L775-L779 PolarHBondContact O-N 3.34Å; L775-F789 HydrophobicContact CD1-CE1 4.25Å; L775-F789 HydrophobicContact CD1-CZ 4.16Å; L775-F789 HydrophobicContact CD2-CE1 4.2Å; L775-F789 HydrophobicContact CD2-CZ 4.16Å |
| 776 | L | 91 | Very high | 91.4 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 32% | 0.319 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.5 | -72.2 | 171.4 | 0 | 0 | 0 | 111.9 | P746 R772 D773 I778 L779 E780 | P746-L776 HydrophobicContact CB-CD2 4.3Å; R772-L776 HydrophobicContact CG-CD1 3.91Å; R772-L776 WeakPolarHBondContact O-CG 3.39Å; R772-L776 PolarHBondContact O-N 3.49Å; D773-L776 PolarHBondContact O-N 2.62Å; L776-I778 VanDerWaalsContact C-N 3.29Å; L776-I778 PolarHBondContact O-N 3.16Å; L776-L779 PolarHBondContact O-N 3.08Å; L776-L779 VanDerWaalsContact O-N 3.16Å; L776-E780 WeakPolarHBondContact O-CB 3.43Å; L776-E780 PolarHBondContact O-N 2.87Å |
| 777 | E | 92.7 | Very high | 91.4 | Very high | 92 Ų | 92 | 56.9 Ų | 56.9 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.1 | -43.1 | 173.4 | -170.9 | -167.8 | -160 | 0 | 0 | 111.7 | K694 D773 M781 | K694-E777 WeakPolarHBondContact CE-OE2 3.21Å; K694-E777 IonicContact NZ-OE2 3.08Å; K694-E777 PolarHBondContact NZ-OE2 3.43Å; D773-E777 WeakPolarHBondContact O-CB 3.39Å; D773-E777 PolarHBondContact O-N 3.1Å; E777-M781 HydrophobicContact CG-CE 4.15Å; E777-M781 WeakPolarHBondContact O-CG 3.3Å; E777-M781 PolarHBondContact O-N 3.39Å; E777-M781 VanDerWaalsContact O-N 3.1Å |
| 778 | I | 92.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.7 | -37.4 | 177.6 | -68.5 | 171 | 0 | 0 | 0 | 112.2 | A690 L691 K694 D774 L775 L776 E780 M781 Y782 | A690-I778 HydrophobicContact CB-CD1 4.06Å; A690-I778 HydrophobicContact CB-CG1 4.24Å; L691-I778 HydrophobicContact CD2-CD1 3.99Å; L691-I778 HydrophobicContact CD2-CG2 3.91Å; L691-I778 HydrophobicContact CG-CD1 4.32Å; L691-I778 HydrophobicContact CG-CG2 4.07Å; K694-I778 HydrophobicContact CB-CD1 4.38Å; K694-I778 HydrophobicContact CG-CD1 3.73Å; D774-I778 WeakPolarHBondContact O-CG1 3.37Å; D774-I778 PolarHBondContact O-N 3.44Å; L775-I778 PolarHBondContact O-N 2.86Å; L776-I778 VanDerWaalsContact C-N 3.29Å; L776-I778 PolarHBondContact O-N 3.16Å; I778-E780 VanDerWaalsContact C-N 3.34Å; I778-M781 HydrophobicContact CG1-CE 4.13Å; I778-M781 PolarHBondContact O-N 3.44Å; I778-Y782 HydrophobicContact CG2-CD2 4.15Å; I778-Y782 WeakPolarHBondContact O-CD2 3.22Å; I778-Y782 PolarHBondContact O-N 2.96Å; I778-Y782 VanDerWaalsContact O-N 3.07Å |
| 779 | L | 91.2 | Very high | 91.1 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.9 | -33.7 | 177.7 | -68.4 | 166.5 | 0 | 0 | 0 | 111.7 | T747 L775 L776 Y782 F785 A786 F789 | T747-L779 HydrophobicContact CG2-CD1 4.29Å; L775-L779 HydrophobicContact CD1-CD1 3.91Å; L775-L779 HydrophobicContact CD1-CG 4.04Å; L775-L779 HydrophobicContact CG-CD1 3.84Å; L775-L779 HydrophobicContact CG-CG 4.43Å; L775-L779 WeakPolarHBondContact O-CG 3.19Å; L775-L779 PolarHBondContact O-N 3.34Å; L776-L779 PolarHBondContact O-N 3.08Å; L776-L779 VanDerWaalsContact O-N 3.16Å; L779-Y782 CarbonylContact O-C 3.59Å; L779-F785 HydrophobicContact CD2-CD1 4.15Å; L779-F785 HydrophobicContact CD2-CE1 4.18Å; L779-A786 HydrophobicContact CB-CB 3.91Å; L779-A786 HydrophobicContact CD2-CB 3.66Å; L779-A786 HydrophobicContact CG-CB 4.39Å; L779-A786 WeakPolarHBondContact O-CB 3.45Å; L779-F789 HydrophobicContact CD1-CD1 4.18Å; L779-F789 HydrophobicContact CD1-CE1 4.28Å; L779-F789 HydrophobicContact CD2-CB 4.03Å; L779-F789 HydrophobicContact CD2-CD1 3.69Å; L779-F789 HydrophobicContact CD2-CE1 4.39Å; L779-F789 HydrophobicContact CD2-CG 3.97Å |
| 780 | E | 91.6 | Very high | 90.9 | Very high | 168 Ų | 168 | 60.2 Ų | 60.2 | 79% | 0.785 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -68.1 | -42.8 | 172.4 | -173.1 | 170.7 | -167.1 | 0 | 0 | 111.7 | L776 I778 Y782 | L776-E780 WeakPolarHBondContact O-CB 3.43Å; L776-E780 PolarHBondContact O-N 2.87Å; I778-E780 VanDerWaalsContact C-N 3.34Å; E780-Y782 VanDerWaalsContact C-N 3.31Å; E780-Y782 PolarHBondContact O-N 2.9Å |
| 781 | M | 91.6 | Very high | 90.5 | Very high | 109 Ų | 109 | 67.8 Ų | 67.8 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.5 | -26.2 | 175.8 | -75.6 | -167.8 | -76.7 | 0 | 0 | 114.5 | E777 I778 | E777-M781 HydrophobicContact CG-CE 4.15Å; E777-M781 WeakPolarHBondContact O-CG 3.3Å; E777-M781 PolarHBondContact O-N 3.39Å; E777-M781 VanDerWaalsContact O-N 3.1Å; I778-M781 HydrophobicContact CG1-CE 4.13Å; I778-M781 PolarHBondContact O-N 3.44Å |
| 782 | Y | 93 | Very high | 90.3 | Very high | 73 Ų | 73 | 66.8 Ų | 66.8 | 29% | 0.286 | 32% | 0.321 | S | S | . | . | trans | -127.2 | 71.6 | -176.7 | -65.6 | -83.9 | 0 | 0 | 0 | 111.7 | G686 C687 A690 I778 L779 E780 E784 F785 A786 | G686-Y782 VanDerWaalsContact C-OH 3.31Å; C687-Y782 HydrophobicContact CB-CD1 4.03Å; C687-Y782 HydrophobicContact CB-CD2 4.02Å; C687-Y782 HydrophobicContact CB-CE1 4.06Å; C687-Y782 HydrophobicContact CB-CE2 4.07Å; C687-Y782 HydrophobicContact CB-CG 4Å; A690-Y782 HydrophobicContact CB-CE2 4.5Å; I778-Y782 HydrophobicContact CG2-CD2 4.15Å; I778-Y782 WeakPolarHBondContact O-CD2 3.22Å; I778-Y782 PolarHBondContact O-N 2.96Å; I778-Y782 VanDerWaalsContact O-N 3.07Å; L779-Y782 CarbonylContact O-C 3.59Å; E780-Y782 VanDerWaalsContact C-N 3.31Å; E780-Y782 PolarHBondContact O-N 2.9Å; Y782-E784 PolarHBondContact O-N 2.88Å; Y782-F785 WeakPolarHBondContact O-CA 3.31Å; Y782-F785 WeakPolarHBondContact O-CB 3.23Å; Y782-F785 PolarHBondContact O-N 2.74Å; Y782-A786 PolarHBondContact O-N 2.75Å | ||
| 783 | P | 90.6 | Very high | 90.1 | Very high | 76 Ų | 76 | 66.8 Ų | 66.8 | 49% | 0.494 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.3 | -33 | -170.6 | 23.3 | -34.4 | 0 | 0 | 0 | 114.5 | A786 K787 | P783-A786 PolarHBondContact O-N 3.41Å; P783-K787 WeakPolarHBondContact O-CG 3.23Å; P783-K787 PolarHBondContact O-N 3.38Å |
| 784 | E | 89.1 | Confident | 89.9 | Confident | 129 Ų | 129 | 70.2 Ų | 70.2 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.8 | -36.2 | 174 | -61.1 | -48.1 | 130.8 | 0 | 0 | 112.2 | Y782 K787 Q788 | Y782-E784 PolarHBondContact O-N 2.88Å; E784-K787 IonicContact OE1-NZ 2.92Å; E784-K787 PolarHBondContact OE1-NZ 3.12Å; E784-K787 IonicContact OE2-NZ 3.81Å; E784-K787 PolarHBondContact OE2-NZ 2.97Å; E784-Q788 PolarHBondContact O-N 3.16Å |
| 785 | F | 91 | Very high | 89.6 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 171.6 | 175.2 | -108.4 | 0 | 0 | 0 | 110.8 | P679 F680 A683 C687 L691 L779 Y782 K787 Q788 F789 | P679-F785 WeakPolarHBondContact O-CE2 3.48Å; P679-F785 WeakPolarHBondContact O-CZ 3.39Å; F680-F785 HydrophobicContact CD1-CZ 4.14Å; A683-F785 HydrophobicContact CB-CD2 3.81Å; A683-F785 HydrophobicContact CB-CE2 3.57Å; A683-F785 HydrophobicContact CB-CZ 4.3Å; C687-F785 WeakPolarHBondContact SG-CD1 3.41Å; L691-F785 HydrophobicContact CD1-CE1 4.07Å; L691-F785 HydrophobicContact CD1-CZ 4.06Å; L779-F785 HydrophobicContact CD2-CD1 4.15Å; L779-F785 HydrophobicContact CD2-CE1 4.18Å; Y782-F785 WeakPolarHBondContact O-CA 3.31Å; Y782-F785 WeakPolarHBondContact O-CB 3.23Å; Y782-F785 PolarHBondContact O-N 2.74Å; F785-K787 VanDerWaalsContact C-N 3.33Å; F785-K787 PolarHBondContact O-N 3.32Å; F785-Q788 PolarHBondContact O-N 3.46Å; F785-Q788 VanDerWaalsContact O-N 3.1Å; F785-F789 HydrophobicContact CD1-CB 4.46Å; F785-F789 HydrophobicContact CE1-CB 4.06Å; F785-F789 AromaticContact CE1-CD2 3.96Å; F785-F789 HydrophobicContact CE1-CD2 3.96Å; F785-F789 HydrophobicContact CE1-CG 4.17Å; F785-F789 HydrophobicContact CE2-CB 4.45Å; F785-F789 HydrophobicContact CE2-CD2 4.5Å; F785-F789 HydrophobicContact CZ-CB 4.06Å; F785-F789 AromaticContact CZ-CD2 3.62Å; F785-F789 HydrophobicContact CZ-CD2 3.62Å; F785-F789 HydrophobicContact CZ-CE2 4.48Å; F785-F789 HydrophobicContact CZ-CG 4.17Å; F785-F789 VanDerWaalsContact O-CB 3.32Å; F785-F789 WeakPolarHBondContact O-CB 3.37Å; F785-F789 PolarHBondContact O-N 2.85Å |
| 786 | A | 89.7 | Confident | 89.5 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L779 Y782 P783 K790 | L779-A786 HydrophobicContact CB-CB 3.91Å; L779-A786 HydrophobicContact CD2-CB 3.66Å; L779-A786 HydrophobicContact CG-CB 4.39Å; L779-A786 WeakPolarHBondContact O-CB 3.45Å; Y782-A786 PolarHBondContact O-N 2.75Å; P783-A786 PolarHBondContact O-N 3.41Å; A786-K790 WeakPolarHBondContact O-CB 3.39Å; A786-K790 PolarHBondContact O-N 3.23Å |
| 787 | K | 87.7 | Confident | 89.5 | Confident | 124 Ų | 124 | 72.9 Ų | 72.9 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 172.5 | -66.3 | 168.1 | -164.5 | 171.1 | 0 | 111.9 | P783 E784 F785 K791 | P783-K787 WeakPolarHBondContact O-CG 3.23Å; P783-K787 PolarHBondContact O-N 3.38Å; E784-K787 IonicContact OE1-NZ 2.92Å; E784-K787 PolarHBondContact OE1-NZ 3.12Å; E784-K787 IonicContact OE2-NZ 3.81Å; E784-K787 PolarHBondContact OE2-NZ 2.97Å; F785-K787 VanDerWaalsContact C-N 3.33Å; F785-K787 PolarHBondContact O-N 3.32Å; K787-K791 PolarHBondContact O-N 2.76Å |
| 788 | Q | 87.7 | Confident | 89.3 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 29% | 0.285 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -73.8 | -40.7 | -179.3 | -168.6 | 68.5 | 2.7 | 0 | 0 | 111.5 | N682 E784 F785 K790 K791 E792 | N682-Q788 HydrophobicContact CB-CG 4.31Å; E784-Q788 PolarHBondContact O-N 3.16Å; F785-Q788 PolarHBondContact O-N 3.46Å; F785-Q788 VanDerWaalsContact O-N 3.1Å; Q788-K790 PolarHBondContact O-N 2.94Å; Q788-K791 CarbonylContact O-C 3.53Å; Q788-K791 WeakPolarHBondContact O-CA 3.49Å; Q788-K791 WeakPolarHBondContact O-CB 3.49Å; Q788-K791 PolarHBondContact O-N 3.31Å; Q788-E792 HydrophobicContact CG-CG 4.22Å; Q788-E792 WeakPolarHBondContact CG-OE2 3.49Å; Q788-E792 PolarHBondContact NE2-OE1 3.13Å; Q788-E792 PolarHBondContact O-N 3.17Å |
| 789 | F | 89.8 | Confident | 89.1 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 175.4 | -174.3 | -99.9 | 0 | 0 | 0 | 111.3 | P679 F680 L775 L779 F785 K791 E792 L793 | P679-F789 HydrophobicContact CB-CD2 3.79Å; P679-F789 HydrophobicContact CB-CE2 4.11Å; P679-F789 HydrophobicContact CG-CE2 4.49Å; F680-F789 HydrophobicContact CE1-CD2 4.37Å; F680-F789 AromaticContact CE1-CE2 3.77Å; F680-F789 HydrophobicContact CE1-CE2 3.77Å; F680-F789 HydrophobicContact CZ-CE2 4.14Å; L775-F789 HydrophobicContact CD1-CE1 4.25Å; L775-F789 HydrophobicContact CD1-CZ 4.16Å; L775-F789 HydrophobicContact CD2-CE1 4.2Å; L775-F789 HydrophobicContact CD2-CZ 4.16Å; L779-F789 HydrophobicContact CD1-CD1 4.18Å; L779-F789 HydrophobicContact CD1-CE1 4.28Å; L779-F789 HydrophobicContact CD2-CB 4.03Å; L779-F789 HydrophobicContact CD2-CD1 3.69Å; L779-F789 HydrophobicContact CD2-CE1 4.39Å; L779-F789 HydrophobicContact CD2-CG 3.97Å; F785-F789 HydrophobicContact CD1-CB 4.46Å; F785-F789 HydrophobicContact CE1-CB 4.06Å; F785-F789 AromaticContact CE1-CD2 3.96Å; F785-F789 HydrophobicContact CE1-CD2 3.96Å; F785-F789 HydrophobicContact CE1-CG 4.17Å; F785-F789 HydrophobicContact CE2-CB 4.45Å; F785-F789 HydrophobicContact CE2-CD2 4.5Å; F785-F789 HydrophobicContact CZ-CB 4.06Å; F785-F789 AromaticContact CZ-CD2 3.62Å; F785-F789 HydrophobicContact CZ-CD2 3.62Å; F785-F789 HydrophobicContact CZ-CE2 4.48Å; F785-F789 HydrophobicContact CZ-CG 4.17Å; F785-F789 VanDerWaalsContact O-CB 3.32Å; F785-F789 WeakPolarHBondContact O-CB 3.37Å; F785-F789 PolarHBondContact O-N 2.85Å; F789-K791 PolarHBondContact O-N 3.02Å; F789-E792 PolarHBondContact O-N 3.47Å; F789-L793 HydrophobicContact CE1-CD2 3.77Å; F789-L793 HydrophobicContact CE2-CD1 4.45Å; F789-L793 HydrophobicContact CZ-CD1 4.11Å; F789-L793 HydrophobicContact CZ-CD2 3.96Å; F789-L793 HydrophobicContact CZ-CG 4.45Å; F789-L793 WeakPolarHBondContact O-CB 3.5Å; F789-L793 PolarHBondContact O-N 2.92Å |
| 790 | K | 86.7 | Confident | 88.8 | Confident | 98 Ų | 98 | 70.8 Ų | 70.8 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -22.4 | 174.6 | -173.4 | 174.2 | -178.3 | 79.3 | 0 | 113.5 | T747 D748 A786 Q788 | T747-K790 VanDerWaalsContact C-NZ 3.33Å; T747-K790 PolarHBondContact O-NZ 3.31Å; T747-K790 PolarHBondContact OG1-NZ 3.36Å; D748-K790 IonicContact OD1-NZ 2.84Å; D748-K790 PolarHBondContact OD1-NZ 3.1Å; A786-K790 WeakPolarHBondContact O-CB 3.39Å; A786-K790 PolarHBondContact O-N 3.23Å; Q788-K790 PolarHBondContact O-N 2.94Å |
| 791 | K | 86.5 | Confident | 88.3 | Confident | 163 Ų | 163 | 64 Ų | 64 | 71% | 0.709 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -92 | -29.6 | 178.9 | -174.1 | -177.1 | 174.5 | -172 | 0 | 113.5 | K787 Q788 F789 | K787-K791 PolarHBondContact O-N 2.76Å; Q788-K791 CarbonylContact O-C 3.53Å; Q788-K791 WeakPolarHBondContact O-CA 3.49Å; Q788-K791 WeakPolarHBondContact O-CB 3.49Å; Q788-K791 PolarHBondContact O-N 3.31Å; F789-K791 PolarHBondContact O-N 3.02Å |
| 792 | E | 87.4 | Confident | 87.4 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -104 | -8.2 | -175.9 | -67 | -175.5 | 152.3 | 0 | 0 | 113.8 | P679 N682 Q788 F789 E794 | P679-E792 HydrophobicContact CB-CB 3.8Å; P679-E792 WeakPolarHBondContact CD-O 3.47Å; N682-E792 PolarHBondContact ND2-OE1 3.48Å; N682-E792 PolarHBondContact ND2-OE2 3.41Å; Q788-E792 HydrophobicContact CG-CG 4.22Å; Q788-E792 WeakPolarHBondContact CG-OE2 3.49Å; Q788-E792 PolarHBondContact NE2-OE1 3.13Å; Q788-E792 PolarHBondContact O-N 3.17Å; F789-E792 PolarHBondContact O-N 3.47Å; E792-E794 PolarHBondContact O-N 2.95Å |
| 793 | L | 86.4 | Confident | 85.9 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | trans | -82.7 | 91 | 175.4 | -176.3 | 72.7 | 0 | 0 | 0 | 111.2 | P679 L716 F718 F789 I795 | P679-L793 HydrophobicContact CG-CD1 4.33Å; L716-L793 HydrophobicContact CD2-CD1 4.32Å; L716-L793 HydrophobicContact CD2-CD2 4.28Å; F718-L793 HydrophobicContact CE1-CD1 4.35Å; F718-L793 HydrophobicContact CZ-CD1 4.48Å; F789-L793 HydrophobicContact CE1-CD2 3.77Å; F789-L793 HydrophobicContact CE2-CD1 4.45Å; F789-L793 HydrophobicContact CZ-CD1 4.11Å; F789-L793 HydrophobicContact CZ-CD2 3.96Å; F789-L793 HydrophobicContact CZ-CG 4.45Å; F789-L793 WeakPolarHBondContact O-CB 3.5Å; F789-L793 PolarHBondContact O-N 2.92Å; L793-I795 HydrophobicContact CD2-CD1 4.16Å; L793-I795 HydrophobicContact CD2-CG1 4.13Å; L793-I795 HydrophobicContact CG-CG1 4.02Å | ||
| 794 | E | 86.5 | Confident | 84.1 | Confident | 171 Ų | 171 | 65 Ų | 65 | 80% | 0.799 | 32% | 0.315 | S | S | * | . | trans | -83.4 | 120.7 | 161.9 | -64.7 | 179.2 | 173.7 | 0 | 0 | 108.9 | E792 | E792-E794 PolarHBondContact O-N 2.95Š| ||
| 795 | I | 87.9 | Confident | 82 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 20% | 0.2 | 32% | 0.32 | C | S | . | . | trans | -95.6 | 117.8 | 173.6 | -57.9 | -177.3 | 0 | 0 | 0 | 107.7 | L716 N745 L793 F797 | L716-I795 HydrophobicContact CD1-CD1 4.04Å; N745-I795 HydrophobicContact CB-CD1 3.79Å; L793-I795 HydrophobicContact CD2-CD1 4.16Å; L793-I795 HydrophobicContact CD2-CG1 4.13Å; L793-I795 HydrophobicContact CG-CG1 4.02Å; I795-F797 WeakPolarHBondContact CG2-O 3.48Å; I795-F797 PolarHBondContact O-N 2.86Å | ||
| 796 | T | 90 | Very high | 79.7 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -60.8 | -33.6 | -177.3 | -40.4 | 0 | 0 | 0 | 0 | 112.1 | L736 D740 V741 | L736-T796 HydrophobicContact CD2-CG2 3.64Å; D740-T796 WeakPolarHBondContact CA-OG1 3.37Å; D740-T796 HydrophobicContact CB-CG2 4.4Å; D740-T796 WeakPolarHBondContact CB-OG1 3.4Å; D740-T796 WeakPolarHBondContact OD1-CG2 3.39Å; D740-T796 PolarHBondContact OD1-OG1 3.13Å; V741-T796 PolarHBondContact N-OG1 3.32Å; V741-T796 VanDerWaalsContact N-OG1 3.13Å; V741-T796 WeakPolarHBondContact O-CB 3.47Å; V741-T796 PolarHBondContact O-N 3.28Å |
| 797 | F | 89.4 | Confident | 77.4 | Confident | 42 Ų | 42 | 72 Ų | 72 | 18% | 0.184 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 117.3 | 176.8 | -156.6 | -78.3 | 0 | 0 | 0 | 112.5 | I726 L733 A734 L736 V741 Y757 I795 L799 | I726-F797 HydrophobicContact CD1-CB 3.72Å; I726-F797 HydrophobicContact CD1-CD1 3.59Å; I726-F797 HydrophobicContact CD1-CD2 4.02Å; I726-F797 HydrophobicContact CD1-CE1 4.17Å; I726-F797 HydrophobicContact CD1-CG 3.5Å; I726-F797 VanDerWaalsContact CD1-CG 3.5Å; I726-F797 HydrophobicContact CG2-CD1 4.29Å; I726-F797 HydrophobicContact CG2-CE1 3.82Å; I726-F797 HydrophobicContact CG2-CZ 4.03Å; L733-F797 HydrophobicContact CD1-CZ 4.08Å; A734-F797 HydrophobicContact CB-CD2 3.97Å; A734-F797 HydrophobicContact CB-CE2 3.94Å; L736-F797 HydrophobicContact CD1-CB 4.43Å; L736-F797 HydrophobicContact CD2-CB 4.5Å; V741-F797 PolarHBondContact O-N 2.92Å; Y757-F797 HydrophobicContact CD1-CE1 4.5Å; Y757-F797 AromaticContact CD2-CE1 3.68Å; Y757-F797 HydrophobicContact CD2-CE1 3.68Å; Y757-F797 HydrophobicContact CD2-CZ 4.45Å; Y757-F797 HydrophobicContact CE1-CE1 4.4Å; Y757-F797 HydrophobicContact CE1-CZ 4.28Å; Y757-F797 AromaticContact CE2-CE1 3.53Å; Y757-F797 HydrophobicContact CE2-CE1 3.53Å; Y757-F797 HydrophobicContact CE2-CZ 4.13Å; Y757-F797 HydrophobicContact CG-CE1 4.16Å; Y757-F797 AromaticContact CZ-CE1 3.92Å; I795-F797 WeakPolarHBondContact CG2-O 3.48Å; I795-F797 PolarHBondContact O-N 2.86Å; F797-L799 HydrophobicContact CD1-CD2 3.99Å; F797-L799 HydrophobicContact CE1-CD2 4.27Å |
| 798 | D | 89.5 | Confident | 74.7 | Confident | 50 Ų | 50 | 73 Ų | 73 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129.5 | 170.8 | 177.9 | 19.8 | 0 | 0 | 0 | 110.5 | G743 R800 Y802 | G743-D798 WeakPolarHBondContact O-CA 2.92Å; D798-R800 WeakPolarHBondContact OD1-CB 3.32Å; D798-R800 PolarHBondContact OD1-N 3.41Å; D798-Y802 VanDerWaalsContact OD2-CE2 3.32Å; D798-Y802 WeakPolarHBondContact OD2-CE2 3.11Å; D798-Y802 PolarHBondContact OD2-OH 3.04Å |
| 799 | L | 88.3 | Confident | 72.1 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | trans | -91.8 | -11.9 | -177.6 | -65.8 | 176.7 | 0 | 0 | 0 | 114 | V707 L713 I726 F742 G743 S755 K756 Y757 V759 F797 | V707-L799 HydrophobicContact CG2-CD1 4.42Å; L713-L799 HydrophobicContact CD1-CB 3.78Å; L713-L799 HydrophobicContact CD2-CB 3.79Å; L713-L799 HydrophobicContact CD2-CD1 3.87Å; L713-L799 HydrophobicContact CG-CB 4.47Å; I726-L799 HydrophobicContact CD1-CD2 4.38Å; I726-L799 HydrophobicContact CG2-CD2 4.33Å; F742-L799 HydrophobicContact CD2-CD1 4.06Å; G743-L799 PolarHBondContact O-N 3.27Å; S755-L799 WeakPolarHBondContact CA-O 3.35Å; K756-L799 PolarHBondContact N-O 3.41Å; Y757-L799 HydrophobicContact CD2-CD2 3.98Å; V759-L799 HydrophobicContact CG2-CD1 3.94Å; V759-L799 HydrophobicContact CG2-CD2 3.76Å; F797-L799 HydrophobicContact CD1-CD2 3.99Å; F797-L799 HydrophobicContact CE1-CD2 4.27Å | ||
| 800 | R | 85.1 | Confident | 69.5 | Low | 11 Ų | 11 | 80.5 Ų | 80.5 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -62.8 | 134.1 | -169.4 | -172.9 | 167.7 | -171.7 | 129.3 | 5.7 | 113.1 | L713 E744 F749 S751 D798 Y802 | L713-R800 HydrophobicContact CD1-CB 4.2Å; E744-R800 HydrophobicContact CG-CB 4.48Å; E744-R800 IonicContact OE1-NH1 3.62Å; E744-R800 PolarHBondContact OE1-NH1 3.13Å; E744-R800 IonicContact OE2-NH1 3.22Å; E744-R800 PolarHBondContact OE2-NH1 3.03Å; F749-R800 VanDerWaalsContact CG-NH1 3.31Å; S751-R800 PolarHBondContact O-NH1 3.23Å; S751-R800 PolarHBondContact O-NH2 3.02Å; S751-R800 PolarHBondContact OG-NH2 3.4Å; D798-R800 WeakPolarHBondContact OD1-CB 3.32Å; D798-R800 PolarHBondContact OD1-N 3.41Å; R800-Y802 HydrophobicContact CB-CE2 4.01Å; R800-Y802 HydrophobicContact CG-CE2 4.41Å; R800-Y802 VanDerWaalsContact O-CD2 3.26Å; R800-Y802 WeakPolarHBondContact O-CD2 3.36Å; R800-Y802 WeakPolarHBondContact O-CE2 3.23Å; R800-Y802 PolarHBondContact O-N 3.25Å |
| 801 | D | 80.9 | Confident | 67.2 | Low | 25 Ų | 25 | 85 Ų | 85 | 13% | 0.134 | 45% | 0.449 | C | S | . | . | trans | -82.9 | 110 | 167.4 | -148.6 | -22.3 | 0 | 0 | 0 | 111.6 | Q754 K756 S803 | Q754-D801 PolarHBondContact O-N 3.43Å; K756-D801 HydrophobicContact CB-CB 3.71Å; K756-D801 HydrophobicContact CD-CB 4.35Å; K756-D801 WeakPolarHBondContact CD-OD1 3.47Å; K756-D801 HydrophobicContact CG-CB 4.26Å; K756-D801 WeakPolarHBondContact CG-OD2 3.49Å; K756-D801 IonicContact NZ-OD1 2.78Å; K756-D801 PolarHBondContact NZ-OD1 3.26Å; D801-S803 PolarHBondContact O-N 3.29Å; D801-S803 VanDerWaalsContact OD1-CB 3.24Å; D801-S803 WeakPolarHBondContact OD1-CB 3.32Å; D801-S803 PolarHBondContact OD1-N 3.07Å; D801-S803 PolarHBondContact OD1-OG 3.49Å | ||
| 802 | Y | 72.9 | Confident | 64.7 | Low | 139 Ų | 139 | 83.6 Ų | 83.6 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 0.4 | 173.7 | -66.1 | -93.5 | 0 | 0 | 0 | 113.2 | F749 D798 R800 | F749-Y802 HydrophobicContact CE1-CE1 4.22Å; F749-Y802 AromaticContact CZ-CE1 3.7Å; F749-Y802 HydrophobicContact CZ-CE1 3.7Å; F749-Y802 AromaticContact CZ-CZ 3.95Å; F749-Y802 WeakPolarHBondContact CZ-OH 3.3Å; D798-Y802 VanDerWaalsContact OD2-CE2 3.32Å; D798-Y802 WeakPolarHBondContact OD2-CE2 3.11Å; D798-Y802 PolarHBondContact OD2-OH 3.04Å; R800-Y802 HydrophobicContact CB-CE2 4.01Å; R800-Y802 HydrophobicContact CG-CE2 4.41Å; R800-Y802 VanDerWaalsContact O-CD2 3.26Å; R800-Y802 WeakPolarHBondContact O-CD2 3.36Å; R800-Y802 WeakPolarHBondContact O-CE2 3.23Å; R800-Y802 PolarHBondContact O-N 3.25Å |
| 803 | S | 60.4 | Low | 62 | Low | 82 Ų | 82 | 88.6 Ų | 88.6 | 57% | 0.573 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.9 | 178.6 | -39.7 | 0 | 0 | 0 | 0 | 113.9 | D801 P805 | D801-S803 PolarHBondContact O-N 3.29Å; D801-S803 VanDerWaalsContact OD1-CB 3.24Å; D801-S803 WeakPolarHBondContact OD1-CB 3.32Å; D801-S803 PolarHBondContact OD1-N 3.07Å; D801-S803 PolarHBondContact OD1-OG 3.49Å; S803-P805 WeakPolarHBondContact O-CD 3.43Å |
| 804 | D | 53.2 | Low | 59.4 | Low | 59 Ų | 59 | 95.4 Ų | 95.4 | 32% | 0.316 | 51% | 0.507 | S | S | . | . | trans | -68.7 | 124.2 | -176 | -99.4 | -18.7 | 0 | 0 | 0 | 111.6 | Q754 C806 | Q754-D804 PolarHBondContact NE2-OD1 2.86Å; Q754-D804 PolarHBondContact NE2-OD2 2.82Å; D804-C806 PolarHBondContact O-N 3.01Å | ||
| 805 | P | 45.1 | Very low | 56.6 | Low | 110 Ų | 110 | 93.3 Ų | 93.3 | 71% | 0.714 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -61.8 | -6.5 | -175 | -27.3 | 36.1 | 0 | 0 | 0 | 117 | S803 L807 | S803-P805 WeakPolarHBondContact O-CD 3.43Å; P805-L807 VanDerWaalsContact C-N 3.25Å; P805-L807 PolarHBondContact O-N 3.16Å |
| 806 | C | 43.5 | Very low | 54 | Low | 121 Ų | 121 | 96.4 Ų | 96.4 | 82% | 0.818 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -79.8 | 8.2 | -174.2 | -61.8 | 0 | 0 | 0 | 0 | 115 | D804 | D804-C806 PolarHBondContact O-N 3.01Š|
| 807 | L | 40.1 | Very low | 51.2 | Low | 84 Ų | 84 | 100.3 Ų | 100.3 | 44% | 0.44 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -128.5 | 7.7 | -175.3 | -79.8 | -179.1 | 0 | 0 | 0 | 116.3 | P805 | P805-L807 VanDerWaalsContact C-N 3.25Å; P805-L807 PolarHBondContact O-N 3.16Å |
| 808 | L | 31.6 | Very low | 48.3 | Very low | 146 Ų | 146 | 107.6 Ų | 107.6 | 76% | 0.764 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -80.5 | 130.8 | 170.5 | -89 | 77.9 | 0 | 0 | 0 | 111.7 | ||
| 809 | N | 33.2 | Very low | 45.5 | Very low | 100 Ų | 100 | 113.1 Ų | 113.1 | 54% | 0.535 | 61% | 0.612 | S | S | . | * | trans | 72.4 | 78 | 170.1 | -59.6 | -8.3 | 0 | 0 | 0 | 118.9 | E811 L812 | N809-E811 VanDerWaalsContact C-N 3.27Å; N809-L812 HydrophobicContact CB-CB 4.27Å | ||
| 810 | P | 35.8 | Very low | 42.6 | Very low | 119 Ų | 119 | 118 Ų | 118 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -65.5 | -27.5 | 151.6 | -18.2 | 32.6 | 0 | 0 | 0 | 113.3 | ||
| 811 | E | 37.4 | Very low | 39.9 | Very low | 191 Ų | 191 | 125.6 Ų | 125.6 | 89% | 0.893 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -0.2 | -165.9 | -65.1 | -169 | 121.3 | 0 | 0 | 116.1 | N809 | N809-E811 VanDerWaalsContact C-N 3.27Š|
| 812 | L | 33.8 | Very low | 37.5 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 2.2 | -177.1 | -126.1 | 106.4 | 0 | 0 | 0 | 115.3 | N809 Q814 | N809-L812 HydrophobicContact CB-CB 4.27Å; L812-Q814 VanDerWaalsContact C-N 3.32Å; L812-Q814 PolarHBondContact O-N 2.97Å; L812-Q814 VanDerWaalsContact O-N 3.07Å |
| 813 | I | 31.2 | Very low | 35.5 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | -83.4 | 79 | 172.9 | -52.2 | -179.2 | 0 | 0 | 0 | 109 | ||||
| 814 | Q | 31.3 | Very low | 34 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -63.2 | 138.1 | 161 | -68.5 | -174.3 | -3.2 | 0 | 0 | 109.1 | L812 S816 | L812-Q814 VanDerWaalsContact C-N 3.32Å; L812-Q814 PolarHBondContact O-N 2.97Å; L812-Q814 VanDerWaalsContact O-N 3.07Å; Q814-S816 PolarHBondContact O-N 3.23Å | ||
| 815 | P | 28.7 | Very low | 32.9 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -73.9 | 78 | 175.6 | 31.2 | -34.7 | 0 | 0 | 0 | 110.1 | D817 | P815-D817 PolarHBondContact O-N 3.28Š| ||
| 816 | S | 33.1 | Very low | 32.3 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -82.6 | 100 | 177.7 | 50.6 | 0 | 0 | 0 | 0 | 110.7 | Q814 K818 | Q814-S816 PolarHBondContact O-N 3.23Å; S816-K818 PolarHBondContact O-N 3.39Å | ||
| 817 | D | 29.7 | Very low | 31.5 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | -51.1 | 108.4 | 173.4 | -74.2 | -56.4 | 0 | 0 | 0 | 112 | P815 | P815-D817 PolarHBondContact O-N 3.28Š| ||
| 818 | K | 30.4 | Very low | 31 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | 165.2 | 88.4 | 144.7 | -86.6 | 146.6 | -164.1 | 164.4 | 0 | 112.1 | S816 | S816-K818 PolarHBondContact O-N 3.39Š| ||
| 819 | L | 30 | Very low | 30.7 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -160.5 | 50 | 136.9 | -137.1 | 73.3 | 0 | 0 | 0 | 114.8 | K821 | L819-K821 VanDerWaalsContact C-N 3.31Å; L819-K821 PolarHBondContact O-N 2.93Å | ||
| 820 | A | 28.1 | Very low | 30.7 | Very low | 104 Ų | 104 | 144 Ų | 144 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -73.7 | 81.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 821 | K | 27.1 | Very low | 30.2 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -170.5 | 143.2 | 164.1 | -110.1 | 160.2 | -173 | 178.3 | 0 | 112 | L819 | L819-K821 VanDerWaalsContact C-N 3.31Å; L819-K821 PolarHBondContact O-N 2.93Å | ||
| 822 | Y | 30.3 | Very low | 30 | Very low | 218 Ų | 218 | 141.4 Ų | 141.4 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | 67.4 | 132.6 | -176.8 | -53.1 | -78.5 | 0 | 0 | 0 | 115.3 | ||||
| 823 | S | 30.8 | Very low | 29.8 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | cis | -163.6 | 159.4 | -24 | 29.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 824 | S | 30.5 | Very low | 29.9 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | -65.8 | 157.3 | 176.4 | 40.2 | 0 | 0 | 0 | 0 | 113.5 | E826 | S824-E826 PolarHBondContact O-N 3.47Å; S824-E826 VanDerWaalsContact O-N 3.15Å | ||
| 825 | P | 30.1 | Very low | 29.9 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -77.5 | 94.3 | 172.3 | 32.1 | -33.2 | 0 | 0 | 0 | 110.5 | ||||
| 826 | E | 31.4 | Very low | 30 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -103.2 | 152.7 | 169.7 | -75.5 | -164.6 | 125.6 | 0 | 0 | 112.6 | S824 I828 | S824-E826 PolarHBondContact O-N 3.47Å; S824-E826 VanDerWaalsContact O-N 3.15Å; E826-I828 PolarHBondContact O-N 2.96Å | ||
| 827 | N | 27 | Very low | 30.2 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -58 | 130.9 | 179.3 | -56.7 | -77.8 | 0 | 0 | 0 | 112.6 | ||||
| 828 | I | 30.2 | Very low | 30.5 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -145.5 | 117.6 | 147.3 | -92 | 129.2 | 0 | 0 | 0 | 107.7 | E826 I830 | E826-I828 PolarHBondContact O-N 2.96Å; I828-I830 HydrophobicContact CG2-CD1 3.96Å; I828-I830 HydrophobicContact CG2-CG1 3.59Å | ||
| 829 | G | 25.2 | Very low | 30.7 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -90.8 | 140.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 830 | I | 32.4 | Very low | 30.7 | Very low | 150 Ų | 150 | 134 Ų | 134 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -122.2 | 126.6 | 173.5 | -59.7 | -176.3 | 0 | 0 | 0 | 109 | I828 | I828-I830 HydrophobicContact CG2-CD1 3.96Å; I828-I830 HydrophobicContact CG2-CG1 3.59Å | ||
| 831 | S | 26.1 | Very low | 30.7 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | -98.8 | 136.3 | -175 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 832 | H | 33.6 | Very low | 30.9 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -141.6 | 122.3 | 145.9 | -78.8 | -76 | 0 | 0 | 0 | 105.8 | ||||
| 833 | Q | 29.3 | Very low | 30.9 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | 54.5 | 122.7 | 70.9 | -66.9 | -175.1 | -17.8 | 0 | 0 | 111.8 | |||||
| 834 | T | 31.7 | Very low | 30.8 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | -111.1 | -175.1 | 4.1 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 835 | N | 33 | Very low | 31 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | cis | -143.4 | -151.5 | 10.9 | -148.2 | 24.2 | 0 | 0 | 0 | 111.6 | ||||
| 836 | A | 31.1 | Very low | 30.9 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 60% | 0.603 | 76% | 0.757 | S | S | * | * | trans | -136.5 | -173.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 837 | D | 36.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | 83.6 | 135.4 | 167.5 | -47.6 | -13.7 | 0 | 0 | 0 | 118 | ||||
| 838 | D | 34.6 | Very low | 30.7 | Very low | 131 Ų | 131 | 124 Ų | 124 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | -160.5 | 162 | -33.4 | -151.8 | -2.6 | 0 | 0 | 0 | 112 | ||||
| 839 | N | 34.5 | Very low | 30.7 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | 47.8 | 118.5 | 157.4 | -70.3 | -53.7 | 0 | 0 | 0 | 123.6 | ||||
| 840 | G | 31 | Very low | 30.7 | Very low | 86 Ų | 86 | 131 Ų | 131 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | trans | 83.4 | 156.3 | 137.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 841 | G | 27.9 | Very low | 30.5 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | cis | 153.1 | 157.4 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 842 | V | 32 | Very low | 30.6 | Very low | 148 Ų | 148 | 136 Ų | 136 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | 75.9 | 122.3 | 170.1 | -169.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 843 | S | 28.9 | Very low | 30.3 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -68.1 | 169.4 | 174.8 | 50.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 844 | N | 30.4 | Very low | 30.2 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | 116.5 | 145.3 | 127.9 | -108.5 | 48.1 | 0 | 0 | 0 | 120.8 | |||||
| 845 | D | 32.9 | Very low | 29.9 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | trans | 70.2 | 101.1 | 153.8 | -64.5 | -50.1 | 0 | 0 | 0 | 123.2 | ||||
| 846 | N | 28.2 | Very low | 29.6 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | 40.4 | 112.4 | 115.4 | -58.7 | -57.7 | 0 | 0 | 0 | 120.5 | |||||
| 847 | S | 27.7 | Very low | 29.4 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | 179.8 | 135.2 | 112.9 | 55.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 848 | D | 27 | Very low | 28.8 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | 60.7 | 158.6 | 143.4 | -54.4 | -24.1 | 0 | 0 | 0 | 124 | ||||
| 849 | Y | 30.7 | Very low | 28.4 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 69.8 | 108 | 176.6 | -46.1 | -70 | 0 | 0 | 0 | 115.4 | ||||
| 850 | E | 25.6 | Very low | 27.9 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | 85.6 | 146 | 66.1 | -78.3 | -165.2 | 126.7 | 0 | 0 | 114.2 | |||||
| 851 | E | 27.1 | Very low | 27.7 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | 84.4 | 153 | -179.5 | -51.5 | -162.5 | 138.6 | 0 | 0 | 118.9 | ||||
| 852 | D | 27.8 | Very low | 27.7 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | 47 | 102.6 | 175.7 | -66.1 | -14.1 | 0 | 0 | 0 | 121.9 | ||||
| 853 | F | 27.9 | Very low | 27.4 | Very low | 201 Ų | 201 | 142.8 Ų | 142.8 | 88% | 0.882 | 72% | 0.719 | S | S | * | * | trans | -92.7 | 112.3 | 170.7 | -127.4 | -89.2 | 0 | 0 | 0 | 112 | ||||
| 854 | D | 27.9 | Very low | 27.4 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 63% | 0.631 | 72% | 0.716 | S | S | * | * | trans | 64.3 | 61.7 | 155.7 | -62.9 | -23.8 | 0 | 0 | 0 | 120.4 | C856 | D854-C856 HydrophobicContact CB-CB 4.35Å; D854-C856 PolarHBondContact O-N 3.34Å; D854-C856 VanDerWaalsContact O-N 3.12Å | ||
| 855 | E | 25.3 | Very low | 27.4 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 91% | 0.911 | 71% | 0.711 | S | S | * | * | trans | -74.2 | 57.7 | 134.5 | -88.4 | -144.3 | 130.8 | 0 | 0 | 110.3 | F857 | E855-F857 PolarHBondContact O-N 3.02Š| ||
| 856 | C | 25.7 | Very low | 27 | Very low | 86 Ų | 86 | 145 Ų | 145 | 58% | 0.581 | 71% | 0.71 | S | S | * | * | trans | -82.6 | 62 | 179 | -147.3 | 0 | 0 | 0 | 0 | 111.6 | D854 Q858 | D854-C856 HydrophobicContact CB-CB 4.35Å; D854-C856 PolarHBondContact O-N 3.34Å; D854-C856 VanDerWaalsContact O-N 3.12Å; C856-Q858 PolarHBondContact O-N 3Å | ||
| 857 | F | 26.5 | Very low | 27 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 81% | 0.811 | 71% | 0.711 | S | S | * | * | trans | -75.6 | 63.7 | 174.6 | -137.4 | -73.8 | 0 | 0 | 0 | 110.1 | E855 L859 | E855-F857 PolarHBondContact O-N 3.02Å; F857-L859 PolarHBondContact O-N 3.46Å; F857-L859 VanDerWaalsContact O-N 3.13Å | ||
| 858 | Q | 25.9 | Very low | 27.1 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | -57.6 | 120.6 | -179.1 | -86.4 | -163.2 | -14.1 | 0 | 0 | 111 | C856 H860 | C856-Q858 PolarHBondContact O-N 3Å; Q858-H860 PolarHBondContact O-N 3.29Å | ||
| 859 | L | 25.2 | Very low | 27 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | -72 | 72 | -178.6 | -84.1 | 153.7 | 0 | 0 | 0 | 111.8 | F857 I862 | F857-L859 PolarHBondContact O-N 3.46Å; F857-L859 VanDerWaalsContact O-N 3.13Å; L859-I862 HydrophobicContact CD2-CD1 3.78Å | ||
| 860 | H | 24.7 | Very low | 26.7 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 78% | 0.778 | 72% | 0.721 | S | S | * | * | trans | -120.5 | 143.1 | 163.6 | -103.1 | -109.4 | 0 | 0 | 0 | 110.6 | Q858 | Q858-H860 PolarHBondContact O-N 3.29Š| ||
| 861 | E | 26.6 | Very low | 26.7 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 54% | 0.542 | 72% | 0.719 | S | S | . | * | trans | 67.2 | 31.7 | 176.1 | -57 | -171.9 | 126.7 | 0 | 0 | 118.5 | R655 N863 | R655-E861 IonicContact CZ-OE1 2.76Å; R655-E861 IonicContact CZ-OE2 3.99Å; R655-E861 IonicContact NH1-OE2 3.37Å; R655-E861 PolarHBondContact NH1-OE2 2.85Å; R655-E861 VanDerWaalsContact NH2-CD 3.28Å; R655-E861 IonicContact NH2-OE1 2.76Å; R655-E861 PolarHBondContact NH2-OE1 3.34Å; R655-E861 IonicContact NH2-OE2 3.21Å; R655-E861 PolarHBondContact NH2-OE2 3Å; E861-N863 PolarHBondContact O-N 2.93Å | ||
| 862 | I | 27.3 | Very low | 26.6 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 48% | 0.482 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73 | 68.9 | 145.2 | -51 | -179.9 | 0 | 0 | 0 | 108.2 | L859 R866 | L859-I862 HydrophobicContact CD2-CD1 3.78Å; I862-R866 WeakPolarHBondContact O-CD 3.41Å; I862-R866 WeakPolarHBondContact O-CG 3.26Å; I862-R866 PolarHBondContact O-NE 2.92Å; I862-R866 VanDerWaalsContact O-NE 3.11Å |
| 863 | N | 25.2 | Very low | 26.4 | Very low | 85 Ų | 85 | 147.9 Ų | 147.9 | 46% | 0.455 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118 | -39.7 | -178.2 | -87.1 | -20.1 | 0 | 0 | 0 | 113.3 | E861 I865 R866 | E861-N863 PolarHBondContact O-N 2.93Å; N863-I865 PolarHBondContact O-N 2.96Å; N863-I865 VanDerWaalsContact O-N 3.17Å; N863-R866 WeakPolarHBondContact O-CB 3.25Å; N863-R866 PolarHBondContact O-N 2.89Å; N863-R866 WeakPolarHBondContact OD1-CD 3.4Å; N863-R866 PolarHBondContact OD1-NH1 2.98Å |
| 864 | D | 29.1 | Very low | 26.4 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 58% | 0.583 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -16 | 178.2 | -87.3 | -40 | 0 | 0 | 0 | 113.7 | ||
| 865 | I | 30.2 | Very low | 26.2 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 61% | 0.61 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -17.5 | 172.2 | -62.4 | 176.4 | 0 | 0 | 0 | 111.9 | N863 N867 I868 | N863-I865 PolarHBondContact O-N 2.96Å; N863-I865 VanDerWaalsContact O-N 3.17Å; I865-N867 PolarHBondContact O-N 2.84Å; I865-I868 PolarHBondContact O-N 2.78Å |
| 866 | R | 25.6 | Very low | 26.3 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -71.2 | -13.2 | -175.4 | -70.6 | -178.1 | 171.9 | 164.8 | -8.5 | 114.3 | I862 N863 I868 H869 | I862-R866 WeakPolarHBondContact O-CD 3.41Å; I862-R866 WeakPolarHBondContact O-CG 3.26Å; I862-R866 PolarHBondContact O-NE 2.92Å; I862-R866 VanDerWaalsContact O-NE 3.11Å; N863-R866 WeakPolarHBondContact O-CB 3.25Å; N863-R866 PolarHBondContact O-N 2.89Å; N863-R866 WeakPolarHBondContact OD1-CD 3.4Å; N863-R866 PolarHBondContact OD1-NH1 2.98Å; R866-I868 PolarHBondContact O-N 3.22Å; R866-H869 VanDerWaalsContact O-CB 3.32Å; R866-H869 WeakPolarHBondContact O-CB 3.25Å; R866-H869 PolarHBondContact O-N 3.08Å |
| 867 | N | 27.3 | Very low | 26.3 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -71.7 | -6.6 | 173.5 | -75 | -31.1 | 0 | 0 | 0 | 114.2 | I865 H869 | I865-N867 PolarHBondContact O-N 2.84Å; N867-H869 VanDerWaalsContact C-N 3.28Å |
| 868 | I | 29.7 | Very low | 26.4 | Very low | 140 Ų | 140 | 146 Ų | 146 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -79 | -13.9 | 168.4 | -60.2 | 177.6 | 0 | 0 | 0 | 111.2 | I865 R866 R870 | I865-I868 PolarHBondContact O-N 2.78Å; R866-I868 PolarHBondContact O-N 3.22Å; I868-R870 VanDerWaalsContact C-N 3.32Å; I868-R870 PolarHBondContact O-N 3.1Å |
| 869 | H | 25.8 | Very low | 26.4 | Very low | 168 Ų | 168 | 145 Ų | 145 | 78% | 0.778 | 72% | 0.717 | S | S | * | * | trans | -86.8 | 17.2 | -169 | -123.2 | -68.9 | 0 | 0 | 0 | 116 | R866 N867 | R866-H869 VanDerWaalsContact O-CB 3.32Å; R866-H869 WeakPolarHBondContact O-CB 3.25Å; R866-H869 PolarHBondContact O-N 3.08Å; N867-H869 VanDerWaalsContact C-N 3.28Å | ||
| 870 | R | 24.9 | Very low | 26.6 | Very low | 243 Ų | 243 | 146 Ų | 146 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -119.2 | 48.8 | 169 | -76.7 | -164 | 178.4 | -165.8 | 2.3 | 112.5 | I868 P872 | I868-R870 VanDerWaalsContact C-N 3.32Å; I868-R870 PolarHBondContact O-N 3.1Å; R870-P872 WeakPolarHBondContact O-CD 3.36Å | ||
| 871 | M | 24.9 | Very low | 26.7 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | -81.9 | 117 | 161 | -154.2 | 171.4 | -165.7 | 0 | 0 | 107.9 | F873 | M871-F873 PolarHBondContact O-N 3.03Š| ||
| 872 | P | 25 | Very low | 26.8 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | trans | -70 | 123.9 | -179.3 | 27.4 | -32.9 | 0 | 0 | 0 | 110.2 | R870 I874 | R870-P872 WeakPolarHBondContact O-CD 3.36Å; P872-I874 PolarHBondContact O-N 2.91Å | ||
| 873 | F | 23.9 | Very low | 26.9 | Very low | 205 Ų | 205 | 147.3 Ų | 147.3 | 90% | 0.899 | 75% | 0.75 | S | S | * | * | trans | -65.5 | 112.1 | 164.3 | -89.1 | -100.7 | 0 | 0 | 0 | 108.6 | M871 | M871-F873 PolarHBondContact O-N 3.03Š| ||
| 874 | I | 28.1 | Very low | 27 | Very low | 145 Ų | 145 | 150.7 Ų | 150.7 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | -133 | 112.8 | 165.2 | -63.1 | -177.2 | 0 | 0 | 0 | 107.4 | P872 | P872-I874 PolarHBondContact O-N 2.91Š| ||
| 875 | D | 23 | Very low | 26.9 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -64.7 | 133.7 | 169.9 | -67.5 | -71 | 0 | 0 | 0 | 110.7 | ||||
| 876 | C | 28.3 | Very low | 26.6 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -156.9 | 63.3 | 157 | -134.8 | 0 | 0 | 0 | 0 | 111.9 | S878 | C876-S878 PolarHBondContact O-N 3.03Š| ||
| 877 | Y | 25 | Very low | 26.7 | Very low | 235 Ų | 235 | 159.7 Ų | 159.7 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | trans | -70.8 | 93.1 | 162.1 | -114.1 | -79.7 | 0 | 0 | 0 | 109 | ||||
| 878 | S | 29 | Very low | 26.6 | Very low | 102 Ų | 102 | 162 Ų | 162 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | -137.4 | 121.3 | 167.4 | -72.5 | 0 | 0 | 0 | 0 | 108.5 | C876 | C876-S878 PolarHBondContact O-N 3.03Š| ||
| 879 | N | 25.6 | Very low | 26.5 | Very low | 140 Ų | 140 | 160 Ų | 160 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -66.7 | 141.5 | 175.8 | -61.4 | -56.8 | 0 | 0 | 0 | 109.7 | ||||
| 880 | D | 29.7 | Very low | 26.7 | Very low | 166 Ų | 166 | 159.6 Ų | 159.6 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | -145.2 | 138.2 | 127.7 | -122.6 | -31.6 | 0 | 0 | 0 | 111.5 | |||||
| 881 | Q | 27 | Very low | 26.9 | Very low | 176 Ų | 176 | 155.1 Ų | 155.1 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -113.7 | 112.6 | -177.9 | -70.9 | -177.7 | -7.5 | 0 | 0 | 110 | ||||
| 882 | S | 27.7 | Very low | 27.1 | Very low | 114 Ų | 114 | 154.5 Ų | 154.5 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -161.8 | 130 | 150.5 | 43.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 883 | P | 30.3 | Very low | 27.7 | Very low | 115 Ų | 115 | 154 Ų | 154 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -108.9 | -167.4 | 171.8 | 30.7 | -15.8 | 0 | 0 | 0 | 112.5 | ||||
| 884 | I | 26 | Very low | 28 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | 84.1 | 144.8 | 160.5 | -29.5 | 178.9 | 0 | 0 | 0 | 117.4 | ||||
| 885 | V | 27.6 | Very low | 28.2 | Very low | 126 Ų | 126 | 151 Ų | 151 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 99.7 | 107.5 | 158 | -168.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 886 | R | 23.7 | Very low | 28.4 | Very low | 237 Ų | 237 | 148.6 Ų | 148.6 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -68.1 | 147.1 | 163.6 | -56.5 | 164.6 | 173.3 | 157.9 | -5.7 | 111.4 | ||||
| 887 | K | 27.6 | Very low | 28.6 | Very low | 214 Ų | 214 | 148.5 Ų | 148.5 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -157.4 | 163.5 | 140.6 | -116.4 | 164.4 | -174.7 | 177.4 | 0 | 112.9 | ||||
| 888 | K | 25 | Very low | 28.7 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -104.6 | 157.3 | -172.2 | -74.3 | -176.1 | 170.3 | -175.9 | 0 | 112.7 | ||||
| 889 | S | 27.7 | Very low | 28.7 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | 60.4 | 117.3 | 138.1 | 62.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 890 | L | 30.8 | Very low | 29 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | -154.1 | 130.4 | 128.4 | -86 | 125 | 0 | 0 | 0 | 105.8 | |||||
| 891 | I | 28.9 | Very low | 28.7 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | 70 | 122 | 68.3 | -68.9 | 170 | 0 | 0 | 0 | 110.7 | |||||
| 892 | N | 30.1 | Very low | 28.8 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | cis | -154.5 | -146 | -5.1 | -160.4 | 13.1 | 0 | 0 | 0 | 111.2 | ||||
| 893 | P | 35.9 | Very low | 28.6 | Very low | 92 Ų | 92 | 150.7 Ų | 150.7 | 60% | 0.597 | 79% | 0.788 | S | S | * | * | -119.1 | 179.6 | -129.6 | 41.5 | -23.6 | 0 | 0 | 0 | 116 | |||||
| 894 | N | 31.5 | Very low | 28.5 | Very low | 146 Ų | 146 | 152.6 Ų | 152.6 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -171.9 | 150.1 | 133 | -106 | -32.1 | 0 | 0 | 0 | 117.1 | ||||
| 895 | I | 32.6 | Very low | 28.6 | Very low | 141 Ų | 141 | 152.1 Ų | 152.1 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | 72.5 | 87.9 | 150.4 | -61.1 | 163.3 | 0 | 0 | 0 | 119.6 | ||||
| 896 | S | 26.8 | Very low | 28.7 | Very low | 99 Ų | 99 | 151 Ų | 151 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | 28.9 | 127.9 | 135.5 | 59.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 897 | S | 32.4 | Very low | 28.8 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | -167.7 | 92.5 | 83.8 | 34.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 898 | T | 26.6 | Very low | 28.7 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 17.3 | 117.3 | 138.6 | 55 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 899 | K | 29.5 | Very low | 28.9 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | -156.4 | 133.2 | 123.7 | -109.7 | 172.3 | -176.6 | 178.3 | 0 | 110.3 | |||||
| 900 | S | 31.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | 19.7 | 99.5 | 164.1 | 52.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 901 | F | 24.7 | Very low | 28.4 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | cis | 69.2 | 83.6 | 30.5 | -141.5 | -65 | 0 | 0 | 0 | 114.5 | ||||
| 902 | E | 27.9 | Very low | 28.3 | Very low | 194 Ų | 194 | 147.2 Ų | 147.2 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | trans | -142.7 | 137.7 | 134.7 | -149.6 | 165.8 | -135.2 | 0 | 0 | 108.5 | ||||
| 903 | Q | 24.2 | Very low | 28.1 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -156 | 106 | -161.8 | -177.9 | -174 | 32.3 | 0 | 0 | 111.1 | ||||
| 904 | I | 28.8 | Very low | 27.7 | Very low | 155 Ų | 155 | 149 Ų | 149 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | -135.3 | 111.9 | 173.8 | -59.3 | -175.9 | 0 | 0 | 0 | 111.3 | ||||
| 905 | N | 27.6 | Very low | 27.5 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | 38.9 | 126.6 | 155.3 | -63.4 | -20.1 | 0 | 0 | 0 | 122.5 | ||||
| 906 | P | 29 | Very low | 27.2 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | -85.6 | 166.2 | 159 | 36.3 | -33.2 | 0 | 0 | 0 | 113.1 | ||||
| 907 | Y | 25.5 | Very low | 27.1 | Very low | 208 Ų | 208 | 147.8 Ų | 147.8 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | 68.2 | 94.4 | 173 | -59.9 | -81 | 0 | 0 | 0 | 118.1 | ||||
| 908 | N | 26.1 | Very low | 26.8 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | 179.3 | 167.8 | 111.8 | -90.9 | -21.5 | 0 | 0 | 0 | 112.9 | |||||
| 909 | N | 29.1 | Very low | 26.6 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | 69.3 | 79 | 162.6 | -58.6 | -6.7 | 0 | 0 | 0 | 119.9 | ||||
| 910 | M | 23.5 | Very low | 26.6 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | 18.6 | 129.3 | 109.3 | -168.6 | 170.4 | 72.5 | 0 | 0 | 119.8 | |||||
| 911 | Y | 25.7 | Very low | 26.3 | Very low | 194 Ų | 194 | 149.8 Ų | 149.8 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | 67.8 | 146.5 | 171.3 | -55.2 | -40.6 | 0 | 0 | 0 | 116.3 | ||||
| 912 | T | 25.3 | Very low | 26.5 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | cis | -154.7 | 179.1 | -3.4 | 4.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 913 | C | 26.4 | Very low | 26.6 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | trans | -37 | 150.2 | 176.8 | -50.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 914 | D | 26.4 | Very low | 27 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | -159.6 | 140.9 | 111.7 | -134.6 | -9.1 | 0 | 0 | 0 | 112.8 | |||||
| 915 | P | 27.9 | Very low | 27 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | trans | -120.3 | 98.5 | 175.2 | 36.5 | -22.3 | 0 | 0 | 0 | 113.2 | ||||
| 916 | N | 25.7 | Very low | 27.3 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | -177.9 | 172 | 152.6 | -102.1 | -51.2 | 0 | 0 | 0 | 112.5 | ||||
| 917 | V | 25.4 | Very low | 27.1 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | trans | 66.6 | 106.2 | 172.4 | -170.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 918 | F | 26.8 | Very low | 27.3 | Very low | 187 Ų | 187 | 144 Ų | 144 | 82% | 0.82 | 76% | 0.763 | S | S | * | * | -158.3 | 117.8 | 116 | -107.5 | -68 | 0 | 0 | 0 | 111.1 | F920 | F918-F920 HydrophobicContact CD1-CE2 4.04Å; F918-F920 HydrophobicContact CE1-CE2 4.46Å | |||
| 919 | S | 22.1 | Very low | 27.3 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -99.3 | 138.6 | 172.8 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 920 | F | 29.3 | Very low | 27.1 | Very low | 188 Ų | 188 | 143 Ų | 143 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -132.2 | 110 | 166.1 | -94.7 | -82.4 | 0 | 0 | 0 | 111.8 | F918 | F918-F920 HydrophobicContact CD1-CE2 4.04Å; F918-F920 HydrophobicContact CE1-CE2 4.46Å | ||
| 921 | T | 24.7 | Very low | 27.3 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -75.3 | 162.8 | 147.6 | 48.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 922 | N | 29.5 | Very low | 27.3 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | cis | -133.8 | -140.8 | 7.8 | -148.3 | 31.3 | 0 | 0 | 0 | 108.7 | ||||
| 923 | D | 28.6 | Very low | 27.4 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 58% | 0.578 | 77% | 0.765 | S | S | * | * | cis | -158.2 | -167.6 | 3.3 | -144.6 | -61.3 | 0 | 0 | 0 | 109.6 | ||||
| 924 | N | 33.5 | Very low | 27.4 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 67.4 | 62.3 | 163.7 | -68.4 | -32.8 | 0 | 0 | 0 | 117.4 | ||||
| 925 | N | 29.2 | Very low | 27.6 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | 33.8 | 109.1 | 115.4 | -55.7 | -28.2 | 0 | 0 | 0 | 118.3 | |||||
| 926 | N | 33.6 | Very low | 27.7 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | -159.2 | 120.9 | 118.9 | -100.8 | -29.9 | 0 | 0 | 0 | 110.1 | |||||
| 927 | E | 25 | Very low | 27.9 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -80.8 | 140.8 | 176 | -59.9 | 178.8 | 106.6 | 0 | 0 | 111.1 | ||||
| 928 | L | 29 | Very low | 28 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -164.7 | 89.1 | 146.3 | -110.9 | 157.3 | 0 | 0 | 0 | 113.4 | ||||
| 929 | N | 27.2 | Very low | 28 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 66% | 0.658 | 77% | 0.771 | S | S | * | * | trans | 42.6 | 106.6 | 142.7 | -61.5 | -34.4 | 0 | 0 | 0 | 121.6 | ||||
| 930 | I | 25.1 | Very low | 28.2 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | 50.2 | 106.7 | 115.7 | -52.9 | 155.4 | 0 | 0 | 0 | 117.6 | |||||
| 931 | V | 27.6 | Very low | 28 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | -171.2 | 116.2 | 105.5 | 161.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 932 | D | 24.9 | Very low | 28 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | 13.9 | 112.4 | 149.1 | -163.3 | 11.8 | 0 | 0 | 0 | 120.8 | ||||
| 933 | L | 27 | Very low | 27.9 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | -159.1 | 82.1 | 168.8 | -123 | 174.4 | 0 | 0 | 0 | 114.1 | ||||
| 934 | S | 27.2 | Very low | 27.8 | Very low | 98 Ų | 98 | 148.7 Ų | 148.7 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | 165.4 | 132.7 | 153.3 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 935 | P | 31.2 | Very low | 27.6 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | -149.2 | 130.5 | 96.7 | 36.4 | -19.2 | 0 | 0 | 0 | 115.5 | |||||
| 936 | R | 30 | Very low | 27.5 | Very low | 213 Ų | 213 | 150.3 Ų | 150.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 156.3 | 87.5 | 125.3 | -82.2 | 157.4 | -171.4 | -155 | 1.8 | 113.4 | |||||
| 937 | N | 29.1 | Very low | 27.2 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -110.2 | 74.5 | 142.2 | -107.3 | -10 | 0 | 0 | 0 | 108.7 | I939 | N937-I939 PolarHBondContact O-N 3.37Š| ||
| 938 | K | 26.8 | Very low | 27.4 | Very low | 202 Ų | 202 | 150.8 Ų | 150.8 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | trans | -78.2 | 77.8 | 166 | -90.6 | -161.1 | 171.2 | -168.2 | 0 | 109 | ||||
| 939 | I | 28.5 | Very low | 27.3 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -67.7 | 135.4 | 152.6 | -65.8 | 178.8 | 0 | 0 | 0 | 106.4 | N937 S941 | N937-I939 PolarHBondContact O-N 3.37Å; I939-S941 PolarHBondContact O-N 3.47Å | ||
| 940 | M | 24.9 | Very low | 27.5 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -81.5 | 84.2 | -172.2 | -171.1 | 159.6 | 173.3 | 0 | 0 | 110.1 | Y942 | M940-Y942 HydrophobicContact CE-CE1 4.22Å; M940-Y942 HydrophobicContact CE-CE2 4.33Å; M940-Y942 HydrophobicContact CG-CD2 4.32Å; M940-Y942 HydrophobicContact CG-CE2 4.09Å; M940-Y942 PolarHBondContact O-N 3.06Å; M940-Y942 HydrophobicContact SD-CE2 4.41Å | ||
| 941 | S | 24.7 | Very low | 27.6 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -60.9 | 100.2 | 164.7 | 54.3 | 0 | 0 | 0 | 0 | 108.8 | I939 | I939-S941 PolarHBondContact O-N 3.47Š| ||
| 942 | Y | 26.3 | Very low | 27.8 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.8 | 165.3 | -80 | -95.4 | 0 | 0 | 0 | 108 | M940 I944 | M940-Y942 HydrophobicContact CE-CE1 4.22Å; M940-Y942 HydrophobicContact CE-CE2 4.33Å; M940-Y942 HydrophobicContact CG-CD2 4.32Å; M940-Y942 HydrophobicContact CG-CE2 4.09Å; M940-Y942 PolarHBondContact O-N 3.06Å; M940-Y942 HydrophobicContact SD-CE2 4.41Å; Y942-I944 PolarHBondContact O-N 3.26Å |
| 943 | P | 25.8 | Very low | 28 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 124.4 | 170.2 | 27.9 | -31.9 | 0 | 0 | 0 | 107.9 | H945 | P943-H945 PolarHBondContact O-N 3.39Š|
| 944 | I | 27.7 | Very low | 28.1 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 118.1 | 157.3 | -63.8 | 176.3 | 0 | 0 | 0 | 104.7 | Y942 D946 | Y942-I944 PolarHBondContact O-N 3.26Å; I944-D946 PolarHBondContact O-N 3.15Å; I944-D946 VanDerWaalsContact O-N 3.08Å |
| 945 | H | 29 | Very low | 28.2 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | -79.5 | 98 | -174.5 | -134.4 | -59.7 | 0 | 0 | 0 | 108.3 | P943 K947 | P943-H945 PolarHBondContact O-N 3.39Å; H945-K947 PolarHBondContact O-N 3.17Å; H945-K947 VanDerWaalsContact O-N 3.09Å | ||
| 946 | D | 26.9 | Very low | 28 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -55.5 | 117.2 | 170.2 | -78.2 | -48.6 | 0 | 0 | 0 | 109.2 | I944 Q948 | I944-D946 PolarHBondContact O-N 3.15Å; I944-D946 VanDerWaalsContact O-N 3.08Å; D946-Q948 PolarHBondContact O-N 3.03Å | ||
| 947 | K | 28.2 | Very low | 28 | Very low | 200 Ų | 200 | 144.7 Ų | 144.7 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -93.9 | 77.3 | 170.3 | -78.3 | -170.1 | 172.6 | -173.1 | 0 | 108.8 | H945 S949 | H945-K947 PolarHBondContact O-N 3.17Å; H945-K947 VanDerWaalsContact O-N 3.09Å; K947-S949 PolarHBondContact O-N 3.23Å | ||
| 948 | Q | 28.8 | Very low | 28.2 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -69 | 113.5 | 158.6 | -80.4 | -174.6 | -32.7 | 0 | 0 | 108.5 | D946 I950 | D946-Q948 PolarHBondContact O-N 3.03Å; Q948-I950 PolarHBondContact O-N 3.1Å | ||
| 949 | S | 26.7 | Very low | 28.5 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -74.9 | 116.1 | 170.3 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | K947 | K947-S949 PolarHBondContact O-N 3.23Š| ||
| 950 | I | 30.5 | Very low | 29 | Very low | 145 Ų | 145 | 139 Ų | 139 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -102.2 | 117.2 | 160.4 | -62.4 | 177.2 | 0 | 0 | 0 | 106.6 | Q948 E952 | Q948-I950 PolarHBondContact O-N 3.1Å; I950-E952 HydrophobicContact CG2-CG 4.31Å | ||
| 951 | V | 28.6 | Very low | 29.4 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -108.9 | 119.9 | 166.1 | 174.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 952 | E | 31.8 | Very low | 29.7 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -125.8 | 144.1 | 161.6 | -74 | -167 | 129.8 | 0 | 0 | 108.3 | I950 | I950-E952 HydrophobicContact CG2-CG 4.31Š| ||
| 953 | D | 27.9 | Very low | 30.1 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | -102.6 | 169.1 | -163 | -108.6 | -48.4 | 0 | 0 | 0 | 113.2 | ||||
| 954 | S | 29.7 | Very low | 30.4 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 83.1 | 162.2 | 149.3 | 79.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 955 | A | 28.5 | Very low | 30.8 | Very low | 78 Ų | 78 | 133 Ų | 133 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | trans | 80.4 | 70.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 956 | D | 28.6 | Very low | 31.1 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | 71.8 | 142.4 | 117.3 | -57.5 | -31 | 0 | 0 | 0 | 125.4 | |||||
| 957 | T | 28.9 | Very low | 31.9 | Very low | 127 Ų | 127 | 131 Ų | 131 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | 103 | 127.9 | 142.5 | -10.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 958 | S | 32.5 | Very low | 32.3 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 68.3 | 85.5 | 148.3 | 44.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 959 | Q | 33.9 | Very low | 32.7 | Very low | 181 Ų | 181 | 127 Ų | 127 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | -46.3 | -177.3 | 127.5 | -107.5 | -171.7 | 14.2 | 0 | 0 | 114.4 | |||||
| 960 | P | 40 | Very low | 32.9 | Very low | 101 Ų | 101 | 126 Ų | 126 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | cis | -138.4 | -175.5 | -18.9 | 36.7 | -17.9 | 0 | 0 | 0 | 114.4 | ||||
| 961 | S | 32.1 | Very low | 33.1 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 157.5 | 111.6 | 138.1 | -74.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 962 | S | 31.9 | Very low | 33.4 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | 75.5 | 147.1 | 89.2 | 88 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 963 | A | 34.1 | Very low | 33.4 | Very low | 75 Ų | 75 | 124 Ų | 124 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | cis | -158.7 | 157.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 964 | I | 31.7 | Very low | 33.7 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | 59.5 | 139.1 | 135.1 | -65.2 | 168.6 | 0 | 0 | 0 | 118.4 | ||||
| 965 | T | 36.1 | Very low | 33.9 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | cis | -151.7 | 138.1 | 27.6 | 8.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 966 | H | 35.7 | Very low | 34.1 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | 78.8 | 155 | 71.7 | -82.1 | -45.9 | 0 | 0 | 0 | 116.9 | |||||
| 967 | P | 44.2 | Very low | 34.4 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 63% | 0.63 | 73% | 0.732 | S | S | * | * | -146.1 | -154.6 | -62.8 | 39.5 | -16.8 | 0 | 0 | 0 | 115.2 | |||||
| 968 | T | 35.1 | Very low | 34.4 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | 87.4 | 149.3 | 166.9 | 78.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 969 | H | 37.8 | Very low | 34.1 | Very low | 162 Ų | 162 | 130 Ų | 130 | 75% | 0.75 | 73% | 0.734 | S | S | * | * | cis | -141.2 | 128.4 | 7.3 | -119.2 | -80.8 | 0 | 0 | 0 | 108.9 | ||||
| 970 | S | 31.9 | Very low | 33.8 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 60% | 0.601 | 73% | 0.726 | S | S | * | * | 63.8 | 140.6 | 105.9 | 81.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 971 | L | 33.1 | Very low | 33.2 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | cis | -170.7 | 168.8 | 23.6 | -120.3 | 152.9 | 0 | 0 | 0 | 111.5 | ||||
| 972 | I | 36.8 | Very low | 33.1 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | trans | 72.4 | 139 | 156.2 | -67.3 | 157.9 | 0 | 0 | 0 | 118.6 | ||||
| 973 | N | 31.4 | Very low | 33.1 | Very low | 124 Ų | 124 | 128 Ų | 128 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | cis | -170.6 | 159.3 | -31.5 | -105.2 | -5.7 | 0 | 0 | 0 | 111.1 | ||||
| 974 | N | 34.4 | Very low | 32.8 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | 65.4 | 149.3 | 159.4 | -58.6 | -9.5 | 0 | 0 | 0 | 119.2 | ||||
| 975 | S | 34.2 | Very low | 32.5 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | cis | -162.5 | 138.2 | -20 | 48 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 976 | K | 31.5 | Very low | 32.1 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | trans | -35.8 | 176.6 | 165.6 | -97.5 | -175.7 | 177.3 | -172.9 | 0 | 119.4 | ||||
| 977 | P | 35.3 | Very low | 31.7 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | -144.5 | -177.8 | -14.7 | 38.8 | -19 | 0 | 0 | 0 | 117.6 | ||||
| 978 | C | 28.1 | Very low | 31.1 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | 63.8 | 153.3 | 151.2 | -67.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 979 | E | 27.2 | Very low | 30.9 | Very low | 185 Ų | 185 | 136.4 Ų | 136.4 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | cis | -160.8 | 157.8 | -12.8 | -119 | 162.7 | -147.4 | 0 | 0 | 109.5 | ||||
| 980 | G | 27.7 | Very low | 30.5 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | 134.5 | 105.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 981 | S | 27.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 39.4 | 115.8 | 148.6 | 57.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 982 | N | 28.5 | Very low | 31 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -2.6 | 143.4 | 134 | -64.8 | 2.2 | 0 | 0 | 0 | 117 | ||||
| 983 | P | 31.8 | Very low | 31.1 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | -157.6 | -176.2 | 65.8 | 43.8 | -23.1 | 0 | 0 | 0 | 119.2 | |||||
| 984 | V | 28.4 | Very low | 31.7 | Very low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | 70.9 | 115.9 | 165.2 | -169.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 985 | E | 26 | Very low | 32.9 | Very low | 188 Ų | 188 | 128.7 Ų | 128.7 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | trans | -75.8 | 113.1 | 171.8 | -172.5 | 168.4 | -146.8 | 0 | 0 | 110.6 | Q987 | E985-Q987 PolarHBondContact O-N 2.87Š| ||
| 986 | N | 28.3 | Very low | 34.1 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | -77.1 | 121.9 | 178.9 | -87.7 | -55.6 | 0 | 0 | 0 | 111.1 | S988 | N986-S988 PolarHBondContact O-N 3.42Å; N986-S988 VanDerWaalsContact O-N 3.1Å | ||
| 987 | Q | 27.3 | Very low | 35.7 | Very low | 188 Ų | 188 | 122.4 Ų | 122.4 | 88% | 0.879 | 71% | 0.706 | S | S | * | * | trans | -57.5 | 113.8 | 172.4 | -68.5 | 178.9 | -11.9 | 0 | 0 | 110.4 | E985 L989 | E985-Q987 PolarHBondContact O-N 2.87Å; Q987-L989 PolarHBondContact O-N 2.88Å | ||
| 988 | S | 30.3 | Very low | 37.3 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | trans | -77.6 | 120.9 | 179.5 | 48 | 0 | 0 | 0 | 0 | 110.7 | N986 G990 | N986-S988 PolarHBondContact O-N 3.42Å; N986-S988 VanDerWaalsContact O-N 3.1Å; S988-G990 PolarHBondContact O-N 3.43Å | ||
| 989 | L | 31.1 | Very low | 39.5 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | trans | -54.8 | 129.8 | 169.1 | -92.4 | 74.1 | 0 | 0 | 0 | 109.1 | Q987 R991 | Q987-L989 PolarHBondContact O-N 2.88Å; L989-R991 PolarHBondContact O-N 2.98Å | ||
| 990 | G | 28.9 | Very low | 41.4 | Very low | 76 Ų | 76 | 117.2 Ų | 117.2 | 78% | 0.784 | 67% | 0.674 | S | S | * | * | trans | -62.8 | 89.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S988 I992 | S988-G990 PolarHBondContact O-N 3.43Å; G990-I992 PolarHBondContact O-N 3.33Å; G990-I992 VanDerWaalsContact O-N 3.07Å | ||
| 991 | R | 31.8 | Very low | 43.4 | Very low | 239 Ų | 239 | 118.8 Ų | 118.8 | 90% | 0.902 | 67% | 0.666 | S | S | * | * | trans | -64.8 | 102 | 153.6 | -74.5 | -174.5 | 177.2 | -177 | -0.2 | 107.1 | L989 S993 | L989-R991 PolarHBondContact O-N 2.98Å; R991-S993 PolarHBondContact O-N 2.84Å | ||
| 992 | I | 43.6 | Very low | 45.8 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 66% | 0.662 | 65% | 0.653 | S | S | * | * | trans | -58.4 | 111.5 | 161.2 | -60.3 | 170.2 | 0 | 0 | 0 | 105.7 | G990 D996 I997 | G990-I992 PolarHBondContact O-N 3.33Å; G990-I992 VanDerWaalsContact O-N 3.07Å; I992-D996 HydrophobicContact CG2-CB 4.4Å; I992-I997 HydrophobicContact CG2-CD1 3.93Å; I992-I997 HydrophobicContact CG2-CG1 3.63Å | ||
| 993 | S | 39 | Very low | 48.2 | Very low | 56 Ų | 56 | 115 Ų | 115 | 39% | 0.392 | 64% | 0.639 | S | S | . | * | trans | -73.4 | 150.2 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 109.1 | R991 S995 D996 | R991-S993 PolarHBondContact O-N 2.84Å; S993-S995 WeakPolarHBondContact CB-OG 3.38Å; S993-S995 PolarHBondContact O-N 3.11Å; S993-S995 VanDerWaalsContact O-N 3.13Å; S993-S995 PolarHBondContact OG-N 2.74Å; S993-S995 PolarHBondContact OG-OG 3.12Å; S993-D996 WeakPolarHBondContact CB-OD2 3.26Å; S993-D996 PolarHBondContact N-OD2 3.13Å; S993-D996 PolarHBondContact O-N 3.32Å | ||
| 994 | S | 44.6 | Very low | 50.2 | Low | 87 Ų | 87 | 117.8 Ų | 117.8 | 61% | 0.608 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -56.8 | -28 | 173.9 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | D996 I998 | S994-D996 VanDerWaalsContact C-N 3.3Å; S994-D996 PolarHBondContact O-N 3.21Å; S994-I998 WeakPolarHBondContact O-CB 3.35Å; S994-I998 WeakPolarHBondContact O-CD1 3.48Å; S994-I998 WeakPolarHBondContact O-CG1 3.44Å; S994-I998 PolarHBondContact O-N 3.01Å |
| 995 | S | 59.1 | Low | 52.4 | Low | 57 Ų | 57 | 116.4 Ų | 116.4 | 40% | 0.399 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -55.4 | -42.8 | 170.5 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | S993 I998 V999 | S993-S995 WeakPolarHBondContact CB-OG 3.38Å; S993-S995 PolarHBondContact O-N 3.11Å; S993-S995 VanDerWaalsContact O-N 3.13Å; S993-S995 PolarHBondContact OG-N 2.74Å; S993-S995 PolarHBondContact OG-OG 3.12Å; S995-I998 PolarHBondContact O-N 3.32Å; S995-V999 WeakPolarHBondContact O-CG2 3.3Å; S995-V999 PolarHBondContact O-N 3.41Å |
| 996 | D | 60.6 | Low | 55 | Low | 80 Ų | 80 | 108.6 Ų | 108.6 | 43% | 0.428 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -78 | -36.8 | -165.7 | -42 | -23.2 | 0 | 0 | 0 | 109.7 | I992 S993 S994 V999 N1000 | I992-D996 HydrophobicContact CG2-CB 4.4Å; S993-D996 WeakPolarHBondContact CB-OD2 3.26Å; S993-D996 PolarHBondContact N-OD2 3.13Å; S993-D996 PolarHBondContact O-N 3.32Å; S994-D996 VanDerWaalsContact C-N 3.3Å; S994-D996 PolarHBondContact O-N 3.21Å; D996-V999 PolarHBondContact O-N 3.39Å; D996-N1000 WeakPolarHBondContact O-CB 3.47Å; D996-N1000 PolarHBondContact O-N 2.95Å |
| 997 | I | 65.2 | Low | 57.3 | Low | 96 Ų | 96 | 104.5 Ų | 104.5 | 49% | 0.492 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62 | -44.3 | 169.7 | -61.3 | 173.6 | 0 | 0 | 0 | 110.2 | I992 N1000 L1001 | I992-I997 HydrophobicContact CG2-CD1 3.93Å; I992-I997 HydrophobicContact CG2-CG1 3.63Å; I997-N1000 PolarHBondContact O-N 3.02Å; I997-L1001 HydrophobicContact CG2-CD1 4.27Å; I997-L1001 WeakPolarHBondContact O-CB 3.29Å; I997-L1001 PolarHBondContact O-N 3.09Å |
| 998 | I | 68.9 | Low | 59.6 | Low | 95 Ų | 95 | 101.8 Ų | 101.8 | 49% | 0.487 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.2 | -43.8 | 178.5 | -70.7 | 166.8 | 0 | 0 | 0 | 111.1 | S994 S995 N1000 L1001 L1002 | S994-I998 WeakPolarHBondContact O-CB 3.35Å; S994-I998 WeakPolarHBondContact O-CD1 3.48Å; S994-I998 WeakPolarHBondContact O-CG1 3.44Å; S994-I998 PolarHBondContact O-N 3.01Å; S995-I998 PolarHBondContact O-N 3.32Å; I998-N1000 PolarHBondContact O-N 3.25Å; I998-L1001 PolarHBondContact O-N 2.97Å; I998-L1002 HydrophobicContact CG2-CD1 3.76Å; I998-L1002 HydrophobicContact CG2-CG 4.28Å; I998-L1002 WeakPolarHBondContact O-CB 3.37Å; I998-L1002 VanDerWaalsContact O-CG 3.32Å; I998-L1002 WeakPolarHBondContact O-CG 3.3Å; I998-L1002 PolarHBondContact O-N 3.4Å |
| 999 | V | 73.8 | Confident | 62 | Low | 88 Ų | 88 | 102.6 Ų | 102.6 | 53% | 0.533 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.4 | -40.1 | 177.1 | 170 | 0 | 0 | 0 | 0 | 111.6 | S995 D996 L1001 L1002 T1003 | S995-V999 WeakPolarHBondContact O-CG2 3.3Å; S995-V999 PolarHBondContact O-N 3.41Å; D996-V999 PolarHBondContact O-N 3.39Å; V999-L1001 VanDerWaalsContact C-N 3.35Å; V999-L1002 PolarHBondContact O-N 2.92Å; V999-T1003 PolarHBondContact O-N 2.81Å; V999-T1003 PolarHBondContact O-OG1 3.43Å |
| 1000 | N | 67.8 | Low | 64.3 | Low | 95 Ų | 95 | 101.4 Ų | 101.4 | 51% | 0.508 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.1 | -33.8 | 175.7 | -136.3 | -64.2 | 0 | 0 | 0 | 112.2 | D996 I997 I998 T1003 R1004 | D996-N1000 WeakPolarHBondContact O-CB 3.47Å; D996-N1000 PolarHBondContact O-N 2.95Å; I997-N1000 PolarHBondContact O-N 3.02Å; I998-N1000 PolarHBondContact O-N 3.25Å; N1000-T1003 WeakPolarHBondContact CA-OG1 3.26Å; N1000-T1003 PolarHBondContact O-OG1 3.46Å; N1000-R1004 WeakPolarHBondContact O-CB 3.45Å; N1000-R1004 VanDerWaalsContact O-CG 3.3Å; N1000-R1004 WeakPolarHBondContact O-CG 3.45Å; N1000-R1004 PolarHBondContact O-N 2.83Å |
| 1001 | L | 69.5 | Low | 66.8 | Low | 100 Ų | 100 | 102.3 Ų | 102.3 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.6 | -46.8 | 172.1 | -98.8 | 160.8 | 0 | 0 | 0 | 112.1 | I997 I998 V999 R1004 L1005 | I997-L1001 HydrophobicContact CG2-CD1 4.27Å; I997-L1001 WeakPolarHBondContact O-CB 3.29Å; I997-L1001 PolarHBondContact O-N 3.09Å; I998-L1001 PolarHBondContact O-N 2.97Å; V999-L1001 VanDerWaalsContact C-N 3.35Å; L1001-R1004 PolarHBondContact O-N 3.42Å; L1001-L1005 WeakPolarHBondContact O-CB 3.41Å; L1001-L1005 VanDerWaalsContact O-CG 3.31Å; L1001-L1005 WeakPolarHBondContact O-CG 3.38Å; L1001-L1005 PolarHBondContact O-N 3.48Å |
| 1002 | L | 77.6 | Confident | 69 | Low | 108 Ų | 108 | 96.7 Ų | 96.7 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -41.8 | 179.9 | -73.1 | 171.1 | 0 | 0 | 0 | 112.2 | I998 V999 L1005 G1006 | I998-L1002 HydrophobicContact CG2-CD1 3.76Å; I998-L1002 HydrophobicContact CG2-CG 4.28Å; I998-L1002 WeakPolarHBondContact O-CB 3.37Å; I998-L1002 VanDerWaalsContact O-CG 3.32Å; I998-L1002 WeakPolarHBondContact O-CG 3.3Å; I998-L1002 PolarHBondContact O-N 3.4Å; V999-L1002 PolarHBondContact O-N 2.92Å; L1002-L1005 PolarHBondContact O-N 3.09Å; L1002-G1006 PolarHBondContact O-N 3.3Å |
| 1003 | T | 78.2 | Confident | 70.9 | Confident | 87 Ų | 87 | 94.3 Ų | 94.3 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 174.9 | 45.3 | 0 | 0 | 0 | 0 | 112.4 | V999 N1000 S1007 | V999-T1003 PolarHBondContact O-N 2.81Å; V999-T1003 PolarHBondContact O-OG1 3.43Å; N1000-T1003 WeakPolarHBondContact CA-OG1 3.26Å; N1000-T1003 PolarHBondContact O-OG1 3.46Å; T1003-S1007 WeakPolarHBondContact O-CB 3.17Å; T1003-S1007 PolarHBondContact O-N 3.48Å |
| 1004 | R | 74 | Confident | 72.9 | Confident | 175 Ų | 175 | 94.5 Ų | 94.5 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.9 | -37.1 | 171.9 | -75.7 | 177.4 | 177.8 | -100.7 | -2 | 113 | N1000 L1001 S1007 M1008 | N1000-R1004 WeakPolarHBondContact O-CB 3.45Å; N1000-R1004 VanDerWaalsContact O-CG 3.3Å; N1000-R1004 WeakPolarHBondContact O-CG 3.45Å; N1000-R1004 PolarHBondContact O-N 2.83Å; L1001-R1004 PolarHBondContact O-N 3.42Å; R1004-S1007 PolarHBondContact O-N 2.89Å; R1004-M1008 WeakPolarHBondContact O-CG 3.34Å; R1004-M1008 PolarHBondContact O-N 2.77Å |
| 1005 | L | 75.5 | Confident | 74.6 | Confident | 96 Ų | 96 | 96 Ų | 96 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 174.4 | -75.2 | 166.2 | 0 | 0 | 0 | 111.5 | L1001 L1002 S1007 M1008 E1009 | L1001-L1005 WeakPolarHBondContact O-CB 3.41Å; L1001-L1005 VanDerWaalsContact O-CG 3.31Å; L1001-L1005 WeakPolarHBondContact O-CG 3.38Å; L1001-L1005 PolarHBondContact O-N 3.48Å; L1002-L1005 PolarHBondContact O-N 3.09Å; L1005-S1007 VanDerWaalsContact C-N 3.29Å; L1005-S1007 PolarHBondContact O-N 3.47Å; L1005-M1008 WeakPolarHBondContact O-CB 3.46Å; L1005-M1008 PolarHBondContact O-N 2.98Å; L1005-M1008 VanDerWaalsContact O-N 3.08Å; L1005-E1009 PolarHBondContact O-N 3.3Å |
| 1006 | G | 79.9 | Confident | 75.8 | Confident | 23 Ų | 23 | 98.3 Ų | 98.3 | 24% | 0.237 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -63.4 | -32.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1002 E1009 N1010 | L1002-G1006 PolarHBondContact O-N 3.3Å; G1006-E1009 PolarHBondContact O-N 3.05Å; G1006-N1010 PolarHBondContact O-N 3.16Å; G1006-N1010 VanDerWaalsContact O-N 3.07Å; G1006-N1010 PolarHBondContact O-ND2 3.02Å |
| 1007 | S | 77.5 | Confident | 76.9 | Confident | 67 Ų | 67 | 101.9 Ų | 101.9 | 47% | 0.469 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 170.4 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | T1003 R1004 L1005 N1011 | T1003-S1007 WeakPolarHBondContact O-CB 3.17Å; T1003-S1007 PolarHBondContact O-N 3.48Å; R1004-S1007 PolarHBondContact O-N 2.89Å; L1005-S1007 VanDerWaalsContact C-N 3.29Å; L1005-S1007 PolarHBondContact O-N 3.47Å; S1007-N1011 PolarHBondContact O-N 3.1Å; S1007-N1011 VanDerWaalsContact O-N 3.13Å; S1007-N1011 PolarHBondContact O-ND2 3.1Å |
| 1008 | M | 73.9 | Confident | 77.9 | Confident | 131 Ų | 131 | 103.6 Ų | 103.6 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 173.7 | -76.8 | -179.3 | 61.2 | 0 | 0 | 112.5 | R1004 L1005 N1011 L1012 | R1004-M1008 WeakPolarHBondContact O-CG 3.34Å; R1004-M1008 PolarHBondContact O-N 2.77Å; L1005-M1008 WeakPolarHBondContact O-CB 3.46Å; L1005-M1008 PolarHBondContact O-N 2.98Å; L1005-M1008 VanDerWaalsContact O-N 3.08Å; M1008-N1011 PolarHBondContact O-N 3.44Å; M1008-L1012 WeakPolarHBondContact O-CB 3.42Å; M1008-L1012 PolarHBondContact O-N 2.97Å |
| 1009 | E | 81 | Confident | 78.5 | Confident | 130 Ų | 130 | 104.4 Ų | 104.4 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -46 | 178.7 | -173.9 | 171.3 | -161.4 | 0 | 0 | 112 | L1005 G1006 N1011 L1012 L1013 | L1005-E1009 PolarHBondContact O-N 3.3Å; G1006-E1009 PolarHBondContact O-N 3.05Å; E1009-N1011 VanDerWaalsContact C-N 3.32Å; E1009-N1011 PolarHBondContact O-N 2.98Å; E1009-L1012 WeakPolarHBondContact O-CB 3.42Å; E1009-L1012 PolarHBondContact O-N 2.92Å; E1009-L1012 VanDerWaalsContact O-N 3.13Å; E1009-L1013 HydrophobicContact CG-CD1 4.36Å; E1009-L1013 PolarHBondContact O-N 3.35Å |
| 1010 | N | 80.3 | Confident | 79 | Confident | 114 Ų | 114 | 103.7 Ų | 103.7 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.9 | -38 | 174 | -78.9 | -66.8 | 0 | 0 | 0 | 112.7 | G1006 S1014 | G1006-N1010 PolarHBondContact O-N 3.16Å; G1006-N1010 VanDerWaalsContact O-N 3.07Å; G1006-N1010 PolarHBondContact O-ND2 3.02Å; N1010-S1014 WeakPolarHBondContact O-CB 3.1Å; N1010-S1014 PolarHBondContact O-N 3.46Å |
| 1011 | N | 81.5 | Confident | 79.8 | Confident | 95 Ų | 95 | 102.8 Ų | 102.8 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 173.6 | -79.6 | -63.5 | 0 | 0 | 0 | 112.3 | S1007 M1008 E1009 S1014 L1015 | S1007-N1011 PolarHBondContact O-N 3.1Å; S1007-N1011 VanDerWaalsContact O-N 3.13Å; S1007-N1011 PolarHBondContact O-ND2 3.1Å; M1008-N1011 PolarHBondContact O-N 3.44Å; E1009-N1011 VanDerWaalsContact C-N 3.32Å; E1009-N1011 PolarHBondContact O-N 2.98Å; N1011-S1014 WeakPolarHBondContact O-CB 3.31Å; N1011-S1014 PolarHBondContact O-N 3.35Å; N1011-L1015 WeakPolarHBondContact O-CG 3.44Å; N1011-L1015 PolarHBondContact O-N 3.37Å |
| 1012 | L | 77.3 | Confident | 80.5 | Confident | 121 Ų | 121 | 103.2 Ų | 103.2 | 63% | 0.634 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.9 | -44.7 | 176.7 | -151.2 | 101.4 | 0 | 0 | 0 | 111.4 | M1008 E1009 S1014 L1015 E1016 | M1008-L1012 WeakPolarHBondContact O-CB 3.42Å; M1008-L1012 PolarHBondContact O-N 2.97Å; E1009-L1012 WeakPolarHBondContact O-CB 3.42Å; E1009-L1012 PolarHBondContact O-N 2.92Å; E1009-L1012 VanDerWaalsContact O-N 3.13Å; L1012-S1014 VanDerWaalsContact C-N 3.29Å; L1012-S1014 PolarHBondContact O-N 3.11Å; L1012-L1015 WeakPolarHBondContact O-CB 3.38Å; L1012-L1015 PolarHBondContact O-N 2.92Å; L1012-E1016 WeakPolarHBondContact O-CB 3.15Å; L1012-E1016 PolarHBondContact O-N 3.21Å |
| 1013 | L | 83.4 | Confident | 80.7 | Confident | 79 Ų | 79 | 102.4 Ų | 102.4 | 41% | 0.414 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -34.2 | 173.6 | -79.8 | 162.5 | 0 | 0 | 0 | 112.7 | E1009 K1017 | E1009-L1013 HydrophobicContact CG-CD1 4.36Å; E1009-L1013 PolarHBondContact O-N 3.35Å; L1013-K1017 WeakPolarHBondContact O-CB 3.49Å; L1013-K1017 WeakPolarHBondContact O-CG 3.47Å; L1013-K1017 PolarHBondContact O-N 2.85Å |
| 1014 | S | 82.2 | Confident | 80.9 | Confident | 61 Ų | 61 | 103.2 Ų | 103.2 | 43% | 0.427 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | N1010 N1011 L1012 K1018 | N1010-S1014 WeakPolarHBondContact O-CB 3.1Å; N1010-S1014 PolarHBondContact O-N 3.46Å; N1011-S1014 WeakPolarHBondContact O-CB 3.31Å; N1011-S1014 PolarHBondContact O-N 3.35Å; L1012-S1014 VanDerWaalsContact C-N 3.29Å; L1012-S1014 PolarHBondContact O-N 3.11Å; S1014-K1018 WeakPolarHBondContact O-CG 3.38Å; S1014-K1018 PolarHBondContact O-N 3.41Å; S1014-K1018 VanDerWaalsContact O-N 3.09Å |
| 1015 | L | 80 | Confident | 81.2 | Confident | 117 Ų | 117 | 100.2 Ų | 100.2 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.9 | -40.9 | 174.3 | -77.1 | 165.9 | 0 | 0 | 0 | 112.5 | N1011 L1012 K1018 L1019 | N1011-L1015 WeakPolarHBondContact O-CG 3.44Å; N1011-L1015 PolarHBondContact O-N 3.37Å; L1012-L1015 WeakPolarHBondContact O-CB 3.38Å; L1012-L1015 PolarHBondContact O-N 2.92Å; L1015-K1018 PolarHBondContact O-N 3.35Å; L1015-L1019 WeakPolarHBondContact O-CB 3.45Å; L1015-L1019 PolarHBondContact O-N 3.03Å |
| 1016 | E | 83.4 | Confident | 81.4 | Confident | 106 Ų | 106 | 99.8 Ų | 99.8 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 176.5 | -175.4 | 179.5 | -172.6 | 0 | 0 | 111.5 | L1012 K1018 L1019 N1020 | L1012-E1016 WeakPolarHBondContact O-CB 3.15Å; L1012-E1016 PolarHBondContact O-N 3.21Å; E1016-K1018 PolarHBondContact O-N 3.3Å; E1016-L1019 PolarHBondContact O-N 3.07Å; E1016-N1020 WeakPolarHBondContact O-CB 3.28Å; E1016-N1020 PolarHBondContact O-N 3.38Å; E1016-N1020 PolarHBondContact O-ND2 3.39Å |
| 1017 | K | 84.8 | Confident | 81.4 | Confident | 155 Ų | 155 | 101.5 Ų | 101.5 | 67% | 0.674 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.6 | -45.6 | 173.5 | -78.1 | 178.6 | 178.4 | 179.4 | 0 | 111.9 | L1013 N1020 T1021 | L1013-K1017 WeakPolarHBondContact O-CB 3.49Å; L1013-K1017 WeakPolarHBondContact O-CG 3.47Å; L1013-K1017 PolarHBondContact O-N 2.85Å; K1017-N1020 PolarHBondContact O-N 3.16Å; K1017-T1021 PolarHBondContact O-N 2.88Å; K1017-T1021 VanDerWaalsContact O-N 3.07Å; K1017-T1021 PolarHBondContact O-OG1 3.3Å |
| 1018 | K | 85.1 | Confident | 81.5 | Confident | 133 Ų | 133 | 104.2 Ų | 104.2 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -48.8 | 175.7 | -77.7 | -174.5 | 174.3 | -171.7 | 0 | 112 | S1014 L1015 E1016 N1020 T1021 E1022 | S1014-K1018 WeakPolarHBondContact O-CG 3.38Å; S1014-K1018 PolarHBondContact O-N 3.41Å; S1014-K1018 VanDerWaalsContact O-N 3.09Å; L1015-K1018 PolarHBondContact O-N 3.35Å; E1016-K1018 PolarHBondContact O-N 3.3Å; K1018-N1020 VanDerWaalsContact C-N 3.27Å; K1018-N1020 PolarHBondContact O-N 2.96Å; K1018-T1021 WeakPolarHBondContact CA-OG1 3.47Å; K1018-T1021 PolarHBondContact O-N 3.02Å; K1018-T1021 VanDerWaalsContact O-N 3.11Å; K1018-T1021 PolarHBondContact O-OG1 3.35Å; K1018-E1022 WeakPolarHBondContact O-CG 3.4Å; K1018-E1022 PolarHBondContact O-N 2.89Å |
| 1019 | L | 81.6 | Confident | 81.8 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.1 | -39.5 | 179.7 | -167.2 | 74.7 | 0 | 0 | 0 | 111.7 | L1015 E1016 E1022 L1023 | L1015-L1019 WeakPolarHBondContact O-CB 3.45Å; L1015-L1019 PolarHBondContact O-N 3.03Å; E1016-L1019 PolarHBondContact O-N 3.07Å; L1019-E1022 PolarHBondContact O-N 3.21Å; L1019-L1023 HydrophobicContact CG-CD1 4.24Å; L1019-L1023 WeakPolarHBondContact O-CB 3.42Å; L1019-L1023 PolarHBondContact O-N 3.41Å |
| 1020 | N | 84.1 | Confident | 81.6 | Confident | 74 Ų | 74 | 101.7 Ų | 101.7 | 40% | 0.396 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.4 | -34.3 | 176.4 | -73.5 | -31.4 | 0 | 0 | 0 | 113 | E1016 K1017 K1018 N1024 | E1016-N1020 WeakPolarHBondContact O-CB 3.28Å; E1016-N1020 PolarHBondContact O-N 3.38Å; E1016-N1020 PolarHBondContact O-ND2 3.39Å; K1017-N1020 PolarHBondContact O-N 3.16Å; K1018-N1020 VanDerWaalsContact C-N 3.27Å; K1018-N1020 PolarHBondContact O-N 2.96Å; N1020-N1024 WeakPolarHBondContact O-CB 3.39Å; N1020-N1024 VanDerWaalsContact O-CG 3.25Å; N1020-N1024 PolarHBondContact O-N 2.93Å; N1020-N1024 PolarHBondContact O-ND2 3.13Å |
| 1021 | T | 85 | Confident | 81.4 | Confident | 76 Ų | 76 | 100.6 Ų | 100.6 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 170.8 | 36.6 | 0 | 0 | 0 | 0 | 112.8 | K1017 K1018 N1024 Q1025 | K1017-T1021 PolarHBondContact O-N 2.88Å; K1017-T1021 VanDerWaalsContact O-N 3.07Å; K1017-T1021 PolarHBondContact O-OG1 3.3Å; K1018-T1021 WeakPolarHBondContact CA-OG1 3.47Å; K1018-T1021 PolarHBondContact O-N 3.02Å; K1018-T1021 VanDerWaalsContact O-N 3.11Å; K1018-T1021 PolarHBondContact O-OG1 3.35Å; T1021-N1024 PolarHBondContact O-N 3.29Å; T1021-Q1025 PolarHBondContact O-N 3.29Å |
| 1022 | E | 83.8 | Confident | 81.4 | Confident | 109 Ų | 109 | 101.5 Ų | 101.5 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 175.9 | -61.8 | -68 | 145.3 | 0 | 0 | 111 | K1018 L1019 N1024 Q1025 I1026 | K1018-E1022 WeakPolarHBondContact O-CG 3.4Å; K1018-E1022 PolarHBondContact O-N 2.89Å; L1019-E1022 PolarHBondContact O-N 3.21Å; E1022-N1024 VanDerWaalsContact C-N 3.34Å; E1022-N1024 PolarHBondContact O-N 2.92Å; E1022-Q1025 PolarHBondContact O-N 3.4Å; E1022-I1026 VanDerWaalsContact O-CG1 3.3Å; E1022-I1026 WeakPolarHBondContact O-CG1 3.35Å; E1022-I1026 PolarHBondContact O-N 2.78Å |
| 1023 | L | 81.4 | Confident | 81 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 175.1 | -87.5 | 164.4 | 0 | 0 | 0 | 112.7 | L1019 I1026 S1027 | L1019-L1023 HydrophobicContact CG-CD1 4.24Å; L1019-L1023 WeakPolarHBondContact O-CB 3.42Å; L1019-L1023 PolarHBondContact O-N 3.41Å; L1023-I1026 PolarHBondContact O-N 2.99Å; L1023-S1027 WeakPolarHBondContact O-CB 3.44Å; L1023-S1027 PolarHBondContact O-N 3.24Å |
| 1024 | N | 82.3 | Confident | 79.9 | Confident | 103 Ų | 103 | 106.3 Ų | 106.3 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.2 | -37.7 | 175.8 | -75.5 | -17.6 | 0 | 0 | 0 | 112.2 | N1020 T1021 E1022 S1027 Q1028 | N1020-N1024 WeakPolarHBondContact O-CB 3.39Å; N1020-N1024 VanDerWaalsContact O-CG 3.25Å; N1020-N1024 PolarHBondContact O-N 2.93Å; N1020-N1024 PolarHBondContact O-ND2 3.13Å; T1021-N1024 PolarHBondContact O-N 3.29Å; E1022-N1024 VanDerWaalsContact C-N 3.34Å; E1022-N1024 PolarHBondContact O-N 2.92Å; N1024-S1027 PolarHBondContact O-N 2.98Å; N1024-Q1028 WeakPolarHBondContact O-CG 3.27Å; N1024-Q1028 PolarHBondContact O-N 3.48Å |
| 1025 | Q | 80.8 | Confident | 78.5 | Confident | 112 Ų | 112 | 110.6 Ų | 110.6 | 52% | 0.523 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.9 | -41.1 | 172.8 | -73.4 | -174.8 | -2.7 | 0 | 0 | 111.9 | T1021 E1022 S1027 Q1028 L1029 | T1021-Q1025 PolarHBondContact O-N 3.29Å; E1022-Q1025 PolarHBondContact O-N 3.4Å; Q1025-S1027 VanDerWaalsContact C-N 3.35Å; Q1025-Q1028 PolarHBondContact O-N 3.44Å; Q1025-L1029 WeakPolarHBondContact O-CB 3.49Å; Q1025-L1029 WeakPolarHBondContact O-CG 3.36Å; Q1025-L1029 PolarHBondContact O-N 3.06Å |
| 1026 | I | 81.2 | Confident | 78.5 | Confident | 88 Ų | 88 | 110.3 Ų | 110.3 | 45% | 0.451 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.7 | -40.4 | 174.4 | -68.9 | 165.2 | 0 | 0 | 0 | 110.7 | E1022 L1023 L1029 I1030 | E1022-I1026 VanDerWaalsContact O-CG1 3.3Å; E1022-I1026 WeakPolarHBondContact O-CG1 3.35Å; E1022-I1026 PolarHBondContact O-N 2.78Å; L1023-I1026 PolarHBondContact O-N 2.99Å; I1026-L1029 PolarHBondContact O-N 3.04Å; I1026-I1030 HydrophobicContact CG2-CD1 3.83Å; I1026-I1030 HydrophobicContact CG2-CG1 4.49Å; I1026-I1030 VanDerWaalsContact O-CG1 3.28Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.43Å; I1026-I1030 PolarHBondContact O-N 3.2Å |
| 1027 | S | 78.8 | Confident | 78.2 | Confident | 58 Ų | 58 | 110.5 Ų | 110.5 | 41% | 0.406 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.1 | -48.1 | 174.1 | -164.1 | 0 | 0 | 0 | 0 | 111.4 | L1023 N1024 Q1025 L1029 I1030 D1031 | L1023-S1027 WeakPolarHBondContact O-CB 3.44Å; L1023-S1027 PolarHBondContact O-N 3.24Å; N1024-S1027 PolarHBondContact O-N 2.98Å; Q1025-S1027 VanDerWaalsContact C-N 3.35Å; S1027-L1029 VanDerWaalsContact C-N 3.31Å; S1027-L1029 PolarHBondContact O-N 3.37Å; S1027-I1030 PolarHBondContact O-N 3.29Å; S1027-I1030 VanDerWaalsContact O-N 3.11Å; S1027-D1031 VanDerWaalsContact O-CG 3.31Å; S1027-D1031 PolarHBondContact O-N 2.85Å |
| 1028 | Q | 79.2 | Confident | 77.9 | Confident | 125 Ų | 125 | 108.1 Ų | 108.1 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.2 | -38.4 | 177.2 | -74.1 | 177.8 | -11.1 | 0 | 0 | 112.4 | N1024 Q1025 D1031 I1032 | N1024-Q1028 WeakPolarHBondContact O-CG 3.27Å; N1024-Q1028 PolarHBondContact O-N 3.48Å; Q1025-Q1028 PolarHBondContact O-N 3.44Å; Q1028-D1031 PolarHBondContact O-N 3.47Å; Q1028-I1032 WeakPolarHBondContact O-CB 3.36Å; Q1028-I1032 WeakPolarHBondContact O-CD1 3.49Å; Q1028-I1032 WeakPolarHBondContact O-CG1 3.45Å; Q1028-I1032 PolarHBondContact O-N 3.5Å |
| 1029 | L | 79.9 | Confident | 77.4 | Confident | 103 Ų | 103 | 106.6 Ų | 106.6 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.5 | -37.2 | 174.1 | -75.2 | 168.2 | 0 | 0 | 0 | 112.5 | Q1025 I1026 S1027 Y1033 | Q1025-L1029 WeakPolarHBondContact O-CB 3.49Å; Q1025-L1029 WeakPolarHBondContact O-CG 3.36Å; Q1025-L1029 PolarHBondContact O-N 3.06Å; I1026-L1029 PolarHBondContact O-N 3.04Å; S1027-L1029 VanDerWaalsContact C-N 3.31Å; S1027-L1029 PolarHBondContact O-N 3.37Å; L1029-Y1033 WeakPolarHBondContact O-CB 3.17Å; L1029-Y1033 WeakPolarHBondContact O-CD2 3.36Å; L1029-Y1033 PolarHBondContact O-N 3.49Å |
| 1030 | I | 78.3 | Confident | 77.2 | Confident | 105 Ų | 105 | 106.3 Ų | 106.3 | 54% | 0.538 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.4 | -44.5 | 174.7 | -71.1 | 165.6 | 0 | 0 | 0 | 110.6 | I1026 S1027 I1032 Y1033 S1034 | I1026-I1030 HydrophobicContact CG2-CD1 3.83Å; I1026-I1030 HydrophobicContact CG2-CG1 4.49Å; I1026-I1030 VanDerWaalsContact O-CG1 3.28Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.43Å; I1026-I1030 PolarHBondContact O-N 3.2Å; S1027-I1030 PolarHBondContact O-N 3.29Å; S1027-I1030 VanDerWaalsContact O-N 3.11Å; I1030-I1032 PolarHBondContact O-N 2.73Å; I1030-Y1033 CarbonylContact O-C 3.25Å; I1030-Y1033 PolarHBondContact O-N 2.81Å; I1030-S1034 WeakPolarHBondContact O-CB 3.37Å; I1030-S1034 PolarHBondContact O-N 3.16Å |
| 1031 | D | 75.8 | Confident | 76.7 | Confident | 91 Ų | 91 | 108.5 Ų | 108.5 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.3 | -47.1 | 177.4 | -67.4 | -36.8 | 0 | 0 | 0 | 110.5 | S1027 Q1028 Y1033 S1034 S1035 | S1027-D1031 VanDerWaalsContact O-CG 3.31Å; S1027-D1031 PolarHBondContact O-N 2.85Å; Q1028-D1031 PolarHBondContact O-N 3.47Å; D1031-Y1033 VanDerWaalsContact C-N 3.3Å; D1031-Y1033 PolarHBondContact O-N 2.81Å; D1031-S1034 PolarHBondContact O-N 3.29Å; D1031-S1034 PolarHBondContact O-OG 3.34Å; D1031-S1035 PolarHBondContact O-N 2.88Å |
| 1032 | I | 80.3 | Confident | 76.1 | Confident | 114 Ų | 114 | 110.8 Ų | 110.8 | 59% | 0.585 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.3 | -30.6 | 176.4 | -70 | 165.1 | 0 | 0 | 0 | 112.8 | Q1028 I1030 S1034 S1035 | Q1028-I1032 WeakPolarHBondContact O-CB 3.36Å; Q1028-I1032 WeakPolarHBondContact O-CD1 3.49Å; Q1028-I1032 WeakPolarHBondContact O-CG1 3.45Å; Q1028-I1032 PolarHBondContact O-N 3.5Å; I1030-I1032 PolarHBondContact O-N 2.73Å; I1032-S1034 VanDerWaalsContact C-N 3.31Å; I1032-S1035 PolarHBondContact O-OG 2.96Å |
| 1033 | Y | 69.2 | Low | 75.5 | Confident | 208 Ų | 208 | 110.9 Ų | 110.9 | 82% | 0.816 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -4.7 | 173.1 | -97.4 | -88.8 | 0 | 0 | 0 | 113.8 | L1029 I1030 D1031 | L1029-Y1033 WeakPolarHBondContact O-CB 3.17Å; L1029-Y1033 WeakPolarHBondContact O-CD2 3.36Å; L1029-Y1033 PolarHBondContact O-N 3.49Å; I1030-Y1033 CarbonylContact O-C 3.25Å; I1030-Y1033 PolarHBondContact O-N 2.81Å; D1031-Y1033 VanDerWaalsContact C-N 3.3Å; D1031-Y1033 PolarHBondContact O-N 2.81Å |
| 1034 | S | 61.2 | Low | 75 | Confident | 93 Ų | 93 | 112.6 Ų | 112.6 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -13.1 | 178.7 | 77.9 | 0 | 0 | 0 | 0 | 114.1 | I1030 D1031 I1032 | I1030-S1034 WeakPolarHBondContact O-CB 3.37Å; I1030-S1034 PolarHBondContact O-N 3.16Å; D1031-S1034 PolarHBondContact O-N 3.29Å; D1031-S1034 PolarHBondContact O-OG 3.34Å; I1032-S1034 VanDerWaalsContact C-N 3.31Å |
| 1035 | S | 53.4 | Low | 74.4 | Confident | 151 Ų | 151 | 113.5 Ų | 113.5 | 100% | 1.056 | 60% | 0.603 | S | S | * | * | trans | -97.6 | 0 | 178.7 | 63.9 | 0 | 0 | 0 | 0 | 113 | D1031 I1032 | D1031-S1035 PolarHBondContact O-N 2.88Å; I1032-S1035 PolarHBondContact O-OG 2.96Å |
Retrieved 1,035 of 1,035 residues in 1378.1 ms
(Link to these results)