| 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 | 35.7 | Very low | 55.9 | Low | 165 Ų | 165 | 99.8 Ų | 99.8 | 81% | 0.813 | 51% | 0.506 | S | S | * | . | 0 | -172.8 | 0 | -88.5 | 175.4 | 175.3 | 0 | 0 | 107.2 | E544 Y545 | M1-E544 WeakPolarHBondContact CA-OE2 3.32Å; M1-E544 WeakPolarHBondContact CB-OE2 3.36Å; M1-E544 PolarHBondContact N-OE2 3.48Å; M1-Y545 PolarHBondContact O-OH 3.45Å | |||
| 2 | P | 42 | Very low | 56.9 | Low | 92 Ų | 92 | 100.5 Ų | 100.5 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | trans | -78.5 | 127.8 | 154.4 | 29.8 | -31.8 | 0 | 0 | 0 | 109.6 | R4 | P2-R4 PolarHBondContact O-N 3.09Š| ||
| 3 | V | 56.4 | Low | 57.8 | Low | 43 Ų | 43 | 96.4 Ų | 96.4 | 26% | 0.261 | 50% | 0.495 | S | S | . | . | trans | -39.9 | 135.6 | 167.9 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | R5 R541 E544 | V3-R5 WeakPolarHBondContact O-CG 3.39Å; V3-R5 PolarHBondContact O-N 2.96Å; V3-R541 HydrophobicContact CG2-CB 4.4Å; V3-R541 HydrophobicContact CG2-CG 3.73Å; V3-E544 WeakPolarHBondContact CA-OE1 3.31Å; V3-E544 WeakPolarHBondContact CG2-OE1 3.47Å; V3-E544 PolarHBondContact N-OE1 3.33Å | ||
| 4 | R | 59 | Low | 58.9 | Low | 195 Ų | 195 | 91 Ų | 91 | 74% | 0.736 | 47% | 0.466 | S | S | * | . | trans | -43.8 | 104.5 | 178.5 | -78.7 | -163 | -174.5 | -159.3 | 5.6 | 110.6 | P2 G6 E480 | P2-R4 PolarHBondContact O-N 3.09Å; R4-G6 PolarHBondContact O-N 3.09Å; R4-E480 IonicContact CZ-OE1 3.26Å; R4-E480 IonicContact NH1-OE1 3.32Å; R4-E480 PolarHBondContact NH1-OE1 3.43Å | ||
| 5 | R | 65.1 | Low | 60.3 | Low | 146 Ų | 146 | 86.9 Ų | 86.9 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | trans | -84.9 | 102.6 | 173.8 | -63.7 | -174.6 | -176.6 | 163.2 | -0.4 | 106.4 | V3 Y403 | V3-R5 WeakPolarHBondContact O-CG 3.39Å; V3-R5 PolarHBondContact O-N 2.96Å; R5-Y403 HydrophobicContact CG-CD1 4.05Å; R5-Y403 HydrophobicContact CG-CG 4.09Å | ||
| 6 | G | 58.6 | Low | 61.2 | Low | 10 Ų | 10 | 85.5 Ų | 85.5 | 10% | 0.103 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 141.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R4 E480 V482 | R4-G6 PolarHBondContact O-N 3.09Å; G6-E480 CarbonylContact C-O 3.44Å; G6-E480 VanDerWaalsContact C-O 3.29Å; G6-E480 WeakPolarHBondContact CA-O 3.1Å; G6-V482 WeakPolarHBondContact O-CG2 3.25Å |
| 7 | H | 58.6 | Low | 62.3 | Low | 158 Ų | 158 | 85.8 Ų | 85.8 | 73% | 0.731 | 45% | 0.446 | S | S | * | . | B | Isolated β-bridge | trans | -69.9 | 146.5 | 178.3 | -80.3 | -93 | 0 | 0 | 0 | 110 | E480 | H7-E480 PolarHBondContact N-O 3.33Å; H7-E480 VanDerWaalsContact N-O 3.1Å |
| 8 | V | 59.6 | Low | 63.4 | Low | 76 Ų | 76 | 82.8 Ų | 82.8 | 46% | 0.461 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 131.3 | 169.2 | -177 | 0 | 0 | 0 | 0 | 107 | P393 | V8-P393 HydrophobicContact CG1-CB 4.12Å; V8-P393 HydrophobicContact CG1-CG 4.15Å; V8-P393 HydrophobicContact CG2-CG 3.93Å |
| 9 | A | 58.2 | Low | 64.5 | Low | 42 Ų | 42 | 79.6 Ų | 79.6 | 35% | 0.347 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 125.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T13 | A9-T13 HydrophobicContact CB-CG2 4.1Š|
| 10 | P | 64 | Low | 65.3 | Low | 91 Ų | 91 | 83.6 Ų | 83.6 | 59% | 0.591 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 148.7 | -180 | -29.3 | 34.9 | 0 | 0 | 0 | 112.6 | N12 T13 | P10-N12 PolarHBondContact O-N 3.47Å; P10-T13 HydrophobicContact CB-CG2 4.34Å; P10-T13 HydrophobicContact CG-CG2 4.44Å; P10-T13 WeakPolarHBondContact O-CG2 3.44Å; P10-T13 PolarHBondContact O-N 3.47Å; P10-T13 PolarHBondContact O-OG1 2.82Å |
| 11 | Q | 58 | Low | 66.1 | Low | 80 Ų | 80 | 83.4 Ų | 83.4 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -16.9 | -177.4 | -68.6 | -173.2 | -34.4 | 0 | 0 | 114.6 | F14 E387 K389 | Q11-F14 WeakPolarHBondContact O-CD1 3.49Å; Q11-F14 VanDerWaalsContact O-CE1 3.27Å; Q11-F14 WeakPolarHBondContact O-CE1 3.37Å; Q11-E387 PolarHBondContact NE2-O 3.05Å; Q11-K389 PolarHBondContact NE2-O 3.15Å |
| 12 | N | 67.7 | Low | 68.3 | Low | 108 Ų | 108 | 77 Ų | 77 | 58% | 0.578 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 0.6 | 177.7 | -65.9 | -11.7 | 0 | 0 | 0 | 114.4 | P10 F14 L15 | P10-N12 PolarHBondContact O-N 3.47Å; N12-F14 PolarHBondContact O-N 2.66Å; N12-F14 VanDerWaalsContact O-N 3.16Å; N12-L15 HydrophobicContact CB-CD1 4.32Å; N12-L15 VanDerWaalsContact O-CB 3.3Å; N12-L15 WeakPolarHBondContact O-CB 3.38Å; N12-L15 PolarHBondContact O-N 3.05Å |
| 13 | T | 69 | Low | 70.2 | Confident | 47 Ų | 47 | 77 Ų | 77 | 29% | 0.288 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.5 | -12.9 | -177.4 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | A9 P10 L15 D16 T17 | A9-T13 HydrophobicContact CB-CG2 4.1Å; P10-T13 HydrophobicContact CB-CG2 4.34Å; P10-T13 HydrophobicContact CG-CG2 4.44Å; P10-T13 WeakPolarHBondContact O-CG2 3.44Å; P10-T13 PolarHBondContact O-N 3.47Å; P10-T13 PolarHBondContact O-OG1 2.82Å; T13-L15 PolarHBondContact O-N 3.08Å; T13-D16 PolarHBondContact O-N 3.48Å; T13-T17 WeakPolarHBondContact O-CB 3.46Å; T13-T17 PolarHBondContact O-N 3.43Å; T13-T17 PolarHBondContact O-OG1 3.37Å |
| 14 | F | 72.9 | Confident | 71.2 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 9% | 0.092 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.8 | -31.6 | 166.2 | 72.7 | -86.5 | 0 | 0 | 0 | 111.9 | Q11 N12 T17 I18 M124 V384 L385 | Q11-F14 WeakPolarHBondContact O-CD1 3.49Å; Q11-F14 VanDerWaalsContact O-CE1 3.27Å; Q11-F14 WeakPolarHBondContact O-CE1 3.37Å; N12-F14 PolarHBondContact O-N 2.66Å; N12-F14 VanDerWaalsContact O-N 3.16Å; F14-T17 PolarHBondContact O-N 3.44Å; F14-I18 HydrophobicContact CD2-CD1 3.86Å; F14-I18 WeakPolarHBondContact O-CB 3.45Å; F14-I18 WeakPolarHBondContact O-CD1 3.2Å; F14-I18 WeakPolarHBondContact O-CG1 3.32Å; F14-I18 PolarHBondContact O-N 3.49Å; F14-M124 HydrophobicContact CE2-CG 4.45Å; F14-V384 HydrophobicContact CB-CG1 3.99Å; F14-L385 HydrophobicContact CB-CD2 3.95Å; F14-L385 HydrophobicContact CD1-CD2 3.26Å; F14-L385 HydrophobicContact CD2-CD2 3.79Å; F14-L385 HydrophobicContact CE1-CD2 3.56Å; F14-L385 HydrophobicContact CE2-CD2 4.06Å; F14-L385 HydrophobicContact CG-CD2 3.4Å; F14-L385 HydrophobicContact CZ-CD2 3.95Å |
| 15 | L | 79.6 | Confident | 72.2 | Confident | 29 Ų | 29 | 73.2 Ų | 73.2 | 15% | 0.152 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.7 | -48.9 | 176.4 | -63.5 | 175.3 | 0 | 0 | 0 | 110.9 | N12 T13 T17 I18 I19 I31 I42 M124 | N12-L15 HydrophobicContact CB-CD1 4.32Å; N12-L15 VanDerWaalsContact O-CB 3.3Å; N12-L15 WeakPolarHBondContact O-CB 3.38Å; N12-L15 PolarHBondContact O-N 3.05Å; T13-L15 PolarHBondContact O-N 3.08Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.18Å; L15-I18 PolarHBondContact O-N 2.95Å; L15-I19 WeakPolarHBondContact O-CB 3.44Å; L15-I19 WeakPolarHBondContact O-CD1 3.49Å; L15-I19 VanDerWaalsContact O-CG1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.36Å; L15-I31 HydrophobicContact CD2-CD1 4.44Å; L15-I31 HydrophobicContact CD2-CG2 4.31Å; L15-I42 HydrophobicContact CD1-CD1 4.49Å; L15-M124 HydrophobicContact CD1-CE 4.37Å; L15-M124 HydrophobicContact CD2-CG 4.16Å |
| 16 | D | 75 | Confident | 72.9 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 35% | 0.348 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 174.5 | 178.7 | 42.6 | 0 | 0 | 0 | 111.5 | T13 I18 I19 R20 | T13-D16 PolarHBondContact O-N 3.48Å; D16-I18 PolarHBondContact O-N 2.89Å; D16-I19 PolarHBondContact O-N 3.08Å; D16-R20 VanDerWaalsContact CG-NE 3.27Å; D16-R20 WeakPolarHBondContact O-CB 3.4Å; D16-R20 VanDerWaalsContact O-CG 3.31Å; D16-R20 WeakPolarHBondContact O-CG 3.4Å; D16-R20 PolarHBondContact O-N 3.09Å; D16-R20 IonicContact OD1-CZ 2.7Å; D16-R20 IonicContact OD1-NE 2.88Å; D16-R20 PolarHBondContact OD1-NE 3.27Å; D16-R20 IonicContact OD1-NH2 3.8Å; D16-R20 IonicContact OD2-CZ 2.67Å; D16-R20 VanDerWaalsContact OD2-CZ 3.26Å; D16-R20 IonicContact OD2-NE 3.62Å; D16-R20 PolarHBondContact OD2-NE 3.08Å; D16-R20 IonicContact OD2-NH2 2.69Å; D16-R20 PolarHBondContact OD2-NH2 3.1Å |
| 17 | T | 79.6 | Confident | 74.2 | Confident | 90 Ų | 90 | 75.4 Ų | 75.4 | 55% | 0.552 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | 175 | -55 | 0 | 0 | 0 | 0 | 112.4 | T13 F14 L15 K21 | T13-T17 WeakPolarHBondContact O-CB 3.46Å; T13-T17 PolarHBondContact O-N 3.43Å; T13-T17 PolarHBondContact O-OG1 3.37Å; F14-T17 PolarHBondContact O-N 3.44Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.18Å; T17-K21 VanDerWaalsContact O-CB 3.27Å; T17-K21 WeakPolarHBondContact O-CB 3.26Å; T17-K21 PolarHBondContact O-N 3.03Å |
| 18 | I | 81.8 | Confident | 75.8 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 16% | 0.164 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.3 | -47.4 | 174.8 | -73 | 163 | 0 | 0 | 0 | 110.2 | F14 L15 D16 K21 F22 I126 | F14-I18 HydrophobicContact CD2-CD1 3.86Å; F14-I18 WeakPolarHBondContact O-CB 3.45Å; F14-I18 WeakPolarHBondContact O-CD1 3.2Å; F14-I18 WeakPolarHBondContact O-CG1 3.32Å; F14-I18 PolarHBondContact O-N 3.49Å; L15-I18 PolarHBondContact O-N 2.95Å; D16-I18 PolarHBondContact O-N 2.89Å; I18-K21 PolarHBondContact O-N 3.16Å; I18-F22 HydrophobicContact CG2-CD2 4.12Å; I18-F22 HydrophobicContact CG2-CE2 4.2Å; I18-F22 WeakPolarHBondContact O-CD2 3.48Å; I18-F22 PolarHBondContact O-N 2.96Å; I18-I126 HydrophobicContact CD1-CD1 4.36Å; I18-I126 HydrophobicContact CG2-CD1 3.75Å |
| 19 | I | 85.1 | Confident | 77.4 | Confident | 23 Ų | 23 | 67.1 Ų | 67.1 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.6 | -56.3 | -179.8 | -73.2 | 163.3 | 0 | 0 | 0 | 110 | L15 D16 K21 F22 E23 F29 I31 Y43 | L15-I19 WeakPolarHBondContact O-CB 3.44Å; L15-I19 WeakPolarHBondContact O-CD1 3.49Å; L15-I19 VanDerWaalsContact O-CG1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.36Å; D16-I19 PolarHBondContact O-N 3.08Å; I19-K21 VanDerWaalsContact C-N 3.25Å; I19-K21 PolarHBondContact O-N 3.12Å; I19-F22 PolarHBondContact O-N 3.33Å; I19-E23 VanDerWaalsContact CG2-CD 3.42Å; I19-E23 HydrophobicContact CG2-CG 4.15Å; I19-E23 WeakPolarHBondContact CG2-OE1 3.45Å; I19-E23 WeakPolarHBondContact O-CB 3.27Å; I19-E23 WeakPolarHBondContact O-CG 3.32Å; I19-E23 PolarHBondContact O-N 2.91Å; I19-F29 HydrophobicContact CB-CZ 4.49Å; I19-F29 HydrophobicContact CG1-CE2 4.25Å; I19-F29 HydrophobicContact CG1-CZ 4.27Å; I19-I31 HydrophobicContact CD1-CD1 4.2Å; I19-I31 HydrophobicContact CG1-CD1 3.91Å; I19-Y43 HydrophobicContact CD1-CD1 4.23Å; I19-Y43 HydrophobicContact CD1-CD2 3.78Å; I19-Y43 HydrophobicContact CD1-CE1 4.26Å; I19-Y43 HydrophobicContact CD1-CE2 3.79Å; I19-Y43 HydrophobicContact CD1-CG 4.02Å; I19-Y43 HydrophobicContact CG1-CD1 4.24Å; I19-Y43 HydrophobicContact CG1-CE1 3.97Å; I19-Y43 HydrophobicContact CG1-CE2 4.25Å; I19-Y43 HydrophobicContact CG2-CE1 4.48Å; I19-Y43 HydrophobicContact CG2-CE2 4.23Å; I19-Y43 WeakPolarHBondContact CG2-OH 3.46Å |
| 20 | R | 80.3 | Confident | 79.1 | Confident | 159 Ų | 159 | 65.1 Ų | 65.1 | 60% | 0.6 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.9 | -35.7 | 178 | -65.6 | 177.4 | -163.5 | -144.1 | 17.1 | 113 | D16 G24 | D16-R20 VanDerWaalsContact CG-NE 3.27Å; D16-R20 WeakPolarHBondContact O-CB 3.4Å; D16-R20 VanDerWaalsContact O-CG 3.31Å; D16-R20 WeakPolarHBondContact O-CG 3.4Å; D16-R20 PolarHBondContact O-N 3.09Å; D16-R20 IonicContact OD1-CZ 2.7Å; D16-R20 IonicContact OD1-NE 2.88Å; D16-R20 PolarHBondContact OD1-NE 3.27Å; D16-R20 IonicContact OD1-NH2 3.8Å; D16-R20 IonicContact OD2-CZ 2.67Å; D16-R20 VanDerWaalsContact OD2-CZ 3.26Å; D16-R20 IonicContact OD2-NE 3.62Å; D16-R20 PolarHBondContact OD2-NE 3.08Å; D16-R20 IonicContact OD2-NH2 2.69Å; D16-R20 PolarHBondContact OD2-NH2 3.1Å; R20-G24 PolarHBondContact O-N 3.06Å |
| 21 | K | 82.7 | Confident | 80.5 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.1 | -33.7 | 177.7 | -177.1 | -179.3 | 178 | -175.5 | 0 | 112.5 | T17 I18 I19 Q25 | T17-K21 VanDerWaalsContact O-CB 3.27Å; T17-K21 WeakPolarHBondContact O-CB 3.26Å; T17-K21 PolarHBondContact O-N 3.03Å; I18-K21 PolarHBondContact O-N 3.16Å; I19-K21 VanDerWaalsContact C-N 3.25Å; I19-K21 PolarHBondContact O-N 3.12Å; K21-Q25 WeakPolarHBondContact O-CG 3.44Å |
| 22 | F | 81.8 | Confident | 82 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -86.4 | -35.7 | 178.9 | -83.4 | -122 | 0 | 0 | 0 | 112.2 | I18 I19 Q25 S26 R27 F29 I126 | I18-F22 HydrophobicContact CG2-CD2 4.12Å; I18-F22 HydrophobicContact CG2-CE2 4.2Å; I18-F22 WeakPolarHBondContact O-CD2 3.48Å; I18-F22 PolarHBondContact O-N 2.96Å; I19-F22 PolarHBondContact O-N 3.33Å; F22-Q25 CarbonylContact O-C 3.56Å; F22-Q25 WeakPolarHBondContact O-CA 3.41Å; F22-Q25 PolarHBondContact O-N 3.04Å; F22-S26 PolarHBondContact O-N 3.07Å; F22-R27 HydrophobicContact CB-CB 4.38Å; F22-R27 HydrophobicContact CD1-CB 4.07Å; F22-R27 HydrophobicContact CD1-CG 4.44Å; F22-R27 PolarHBondContact O-N 2.9Å; F22-R27 VanDerWaalsContact O-N 3.16Å; F22-F29 HydrophobicContact CB-CD1 3.82Å; F22-F29 HydrophobicContact CB-CE1 3.42Å; F22-F29 VanDerWaalsContact CB-CE1 3.42Å; F22-F29 HydrophobicContact CB-CE2 4.32Å; F22-F29 HydrophobicContact CB-CG 4.44Å; F22-F29 HydrophobicContact CB-CZ 3.71Å; F22-F29 HydrophobicContact CD1-CB 4.44Å; F22-F29 HydrophobicContact CD1-CD1 4.09Å; F22-F29 HydrophobicContact CD1-CD2 4.41Å; F22-F29 HydrophobicContact CD1-CG 4.05Å; F22-F29 HydrophobicContact CG-CD1 4.4Å; F22-F29 HydrophobicContact CG-CE1 4.37Å; F22-I126 HydrophobicContact CE1-CG2 4Å; F22-I126 HydrophobicContact CZ-CG2 4.32Å |
| 23 | E | 81.4 | Confident | 83 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 169.6 | -72.8 | 173.6 | 167.9 | 0 | 0 | 111 | I19 Q25 S26 Y43 | I19-E23 VanDerWaalsContact CG2-CD 3.42Å; I19-E23 HydrophobicContact CG2-CG 4.15Å; I19-E23 WeakPolarHBondContact CG2-OE1 3.45Å; I19-E23 WeakPolarHBondContact O-CB 3.27Å; I19-E23 WeakPolarHBondContact O-CG 3.32Å; I19-E23 PolarHBondContact O-N 2.91Å; E23-Q25 PolarHBondContact O-N 2.82Å; E23-S26 PolarHBondContact O-N 2.59Å; E23-Y43 PolarHBondContact OE1-OH 2.83Å |
| 24 | G | 77.3 | Confident | 83.8 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 74% | 0.742 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -3.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R20 | R20-G24 PolarHBondContact O-N 3.06Š|
| 25 | Q | 80.4 | Confident | 84.1 | Confident | 87 Ų | 87 | 58.9 Ų | 58.9 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 8.9 | 170.7 | -67.7 | -176.1 | 8.4 | 0 | 0 | 112.6 | K21 F22 E23 R27 | K21-Q25 WeakPolarHBondContact O-CG 3.44Å; F22-Q25 CarbonylContact O-C 3.56Å; F22-Q25 WeakPolarHBondContact O-CA 3.41Å; F22-Q25 PolarHBondContact O-N 3.04Å; E23-Q25 PolarHBondContact O-N 2.82Å; Q25-R27 HydrophobicContact CB-CG 4Å; Q25-R27 PolarHBondContact O-N 3.34Å |
| 26 | S | 79.9 | Confident | 84.3 | Confident | 111 Ų | 111 | 60.6 Ų | 60.6 | 78% | 0.776 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 32.6 | -173.3 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | F22 E23 | F22-S26 PolarHBondContact O-N 3.07Å; E23-S26 PolarHBondContact O-N 2.59Å |
| 27 | R | 86.4 | Confident | 84.3 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | trans | -73 | 157.6 | 177.7 | -76.8 | -176.3 | -179.2 | -124.9 | -5.4 | 111.3 | F22 Q25 F29 N45 N128 | F22-R27 HydrophobicContact CB-CB 4.38Å; F22-R27 HydrophobicContact CD1-CB 4.07Å; F22-R27 HydrophobicContact CD1-CG 4.44Å; F22-R27 PolarHBondContact O-N 2.9Å; F22-R27 VanDerWaalsContact O-N 3.16Å; Q25-R27 HydrophobicContact CB-CG 4Å; Q25-R27 PolarHBondContact O-N 3.34Å; R27-F29 HydrophobicContact CB-CD1 4.42Å; R27-N45 PolarHBondContact O-ND2 2.98Å; R27-N128 WeakPolarHBondContact CB-OD1 3.4Å | ||
| 28 | K | 92.3 | Very high | 84.3 | Confident | 59 Ų | 59 | 68 Ų | 68 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | trans | -114.9 | 111.7 | -179.7 | -56 | -178.7 | 169.5 | -141 | 0 | 107.8 | N45 G47 L51 N128 F129 | K28-N45 WeakPolarHBondContact CA-OD1 3.45Å; K28-G47 VanDerWaalsContact CD-O 3.27Å; K28-G47 WeakPolarHBondContact CD-O 3.32Å; K28-G47 WeakPolarHBondContact CG-O 3.37Å; K28-G47 PolarHBondContact NZ-O 3.35Å; K28-L51 HydrophobicContact CD-CB 4.13Å; K28-L51 HydrophobicContact CD-CD2 4.07Å; K28-N128 WeakPolarHBondContact O-CA 3.02Å; K28-N128 PolarHBondContact O-OD1 3.39Å; K28-F129 HydrophobicContact CB-CB 4.48Å; K28-F129 PolarHBondContact O-N 3.39Å | ||
| 29 | F | 92.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 158.3 | -166 | 71.6 | -77.3 | 0 | 0 | 0 | 114 | I19 F22 R27 I31 Y43 N45 I126 L127 N128 | I19-F29 HydrophobicContact CB-CZ 4.49Å; I19-F29 HydrophobicContact CG1-CE2 4.25Å; I19-F29 HydrophobicContact CG1-CZ 4.27Å; F22-F29 HydrophobicContact CB-CD1 3.82Å; F22-F29 HydrophobicContact CB-CE1 3.42Å; F22-F29 VanDerWaalsContact CB-CE1 3.42Å; F22-F29 HydrophobicContact CB-CE2 4.32Å; F22-F29 HydrophobicContact CB-CG 4.44Å; F22-F29 HydrophobicContact CB-CZ 3.71Å; F22-F29 HydrophobicContact CD1-CB 4.44Å; F22-F29 HydrophobicContact CD1-CD1 4.09Å; F22-F29 HydrophobicContact CD1-CD2 4.41Å; F22-F29 HydrophobicContact CD1-CG 4.05Å; F22-F29 HydrophobicContact CG-CD1 4.4Å; F22-F29 HydrophobicContact CG-CE1 4.37Å; R27-F29 HydrophobicContact CB-CD1 4.42Å; F29-I31 HydrophobicContact CD2-CG1 4.21Å; F29-I31 HydrophobicContact CE2-CD1 4.19Å; F29-I31 HydrophobicContact CE2-CG1 4.15Å; F29-Y43 HydrophobicContact CD2-CE1 4.41Å; F29-Y43 HydrophobicContact CE1-CE1 4.47Å; F29-Y43 HydrophobicContact CE2-CD1 4.02Å; F29-Y43 AromaticContact CE2-CE1 3.59Å; F29-Y43 HydrophobicContact CE2-CE1 3.59Å; F29-Y43 HydrophobicContact CZ-CD1 4.49Å; F29-Y43 AromaticContact CZ-CE1 3.62Å; F29-Y43 HydrophobicContact CZ-CE1 3.62Å; F29-N45 HydrophobicContact CD1-CB 4.12Å; F29-N45 HydrophobicContact CE1-CB 3.74Å; F29-N45 HydrophobicContact CZ-CB 4.18Å; F29-N45 PolarHBondContact N-OD1 3.23Å; F29-N45 PolarHBondContact O-N 3.29Å; F29-N45 VanDerWaalsContact O-N 3.08Å; F29-N45 PolarHBondContact O-OD1 3.49Å; F29-I126 HydrophobicContact CD2-CG2 4.36Å; F29-L127 WeakPolarHBondContact CA-O 3.32Å; F29-L127 WeakPolarHBondContact CB-O 3.21Å; F29-N128 HydrophobicContact CB-CB 4.42Å |
| 30 | I | 93.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 155.2 | 170.8 | 74.9 | -170.6 | 0 | 0 | 0 | 109.9 | V41 Y43 C44 F48 L127 F129 | I30-V41 HydrophobicContact CB-CG1 4.14Å; I30-V41 HydrophobicContact CD1-CG2 3.89Å; I30-Y43 CarbonylContact C-O 3.54Å; I30-Y43 VanDerWaalsContact CA-O 3.25Å; I30-Y43 WeakPolarHBondContact CA-O 3.39Å; I30-Y43 WeakPolarHBondContact CB-O 3.34Å; I30-C44 HydrophobicContact CB-CB 4.31Å; I30-C44 HydrophobicContact CG2-CB 3.59Å; I30-F48 HydrophobicContact CG2-CB 4.49Å; I30-F48 HydrophobicContact CG2-CD1 3.72Å; I30-F48 HydrophobicContact CG2-CD2 3.85Å; I30-F48 HydrophobicContact CG2-CE1 3.8Å; I30-F48 HydrophobicContact CG2-CE2 3.93Å; I30-F48 HydrophobicContact CG2-CG 3.74Å; I30-F48 HydrophobicContact CG2-CZ 3.89Å; I30-L127 HydrophobicContact CD1-CB 4.44Å; I30-L127 HydrophobicContact CG1-CB 4.02Å; I30-L127 HydrophobicContact CG1-CD1 4.45Å; I30-L127 PolarHBondContact N-O 3.03Å; I30-L127 PolarHBondContact O-N 3.06Å; I30-F129 HydrophobicContact CD1-CE2 4.02Å; I30-F129 HydrophobicContact CD1-CZ 4.02Å; I30-F129 HydrophobicContact CG1-CE2 4.02Å; I30-F129 HydrophobicContact CG1-CZ 4.48Å; I30-F129 HydrophobicContact CG2-CE2 4.21Å |
| 31 | I | 92 | Very high | 85.3 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.7 | 173.7 | -52.6 | 177.1 | 0 | 0 | 0 | 108.4 | L15 I19 F29 I42 Y43 M124 F125 | L15-I31 HydrophobicContact CD2-CD1 4.44Å; L15-I31 HydrophobicContact CD2-CG2 4.31Å; I19-I31 HydrophobicContact CD1-CD1 4.2Å; I19-I31 HydrophobicContact CG1-CD1 3.91Å; F29-I31 HydrophobicContact CD2-CG1 4.21Å; F29-I31 HydrophobicContact CE2-CD1 4.19Å; F29-I31 HydrophobicContact CE2-CG1 4.15Å; I31-I42 HydrophobicContact CB-CG1 4.29Å; I31-I42 HydrophobicContact CG2-CD1 4.13Å; I31-I42 HydrophobicContact CG2-CG1 4.1Å; I31-I42 WeakPolarHBondContact O-CG1 3.43Å; I31-I42 PolarHBondContact O-N 3.12Å; I31-Y43 HydrophobicContact CD1-CD1 4.19Å; I31-Y43 HydrophobicContact CG1-CD1 4.19Å; I31-Y43 PolarHBondContact N-O 2.65Å; I31-Y43 PolarHBondContact O-N 3.01Å; I31-M124 HydrophobicContact CG2-CB 4.21Å; I31-M124 HydrophobicContact CG2-CG 4.41Å; I31-M124 HydrophobicContact CG2-SD 4.25Å; I31-F125 WeakPolarHBondContact CA-O 3.27Å |
| 32 | A | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A40 C64 M124 F125 | A32-A40 WeakPolarHBondContact CA-O 3.08Å; A32-C64 HydrophobicContact CB-CB 3.47Å; A32-C64 VanDerWaalsContact CB-CB 3.47Å; A32-M124 CarbonylContact O-C 3.59Å; A32-M124 VanDerWaalsContact O-CA 3.27Å; A32-M124 WeakPolarHBondContact O-CA 3.3Å; A32-F125 PolarHBondContact N-O 2.98Å; A32-F125 PolarHBondContact O-N 3.19Å |
| 33 | N | 89.3 | Confident | 86.1 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 112.8 | -176.4 | -177.3 | -5.5 | 0 | 0 | 0 | 111.5 | R35 V36 C39 A40 I42 I123 M124 | N33-R35 PolarHBondContact O-N 3.44Å; N33-R35 WeakPolarHBondContact OD1-CB 3.48Å; N33-R35 PolarHBondContact OD1-N 3.25Å; N33-V36 HydrophobicContact CB-CG2 4.25Å; N33-V36 PolarHBondContact O-N 3.03Å; N33-C39 WeakPolarHBondContact O-CA 3.14Å; N33-A40 PolarHBondContact N-O 3.41Å; N33-I42 HydrophobicContact CB-CG2 4.01Å; N33-I123 PolarHBondContact OD1-O 2.93Å; N33-M124 HydrophobicContact CB-CE 4.49Å; N33-M124 HydrophobicContact CB-SD 4.04Å |
| 34 | A | 85.1 | Confident | 86.6 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -11.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | V122 I123 F125 | A34-V122 HydrophobicContact CB-CB 4.41Å; A34-V122 HydrophobicContact CB-CG1 3.71Å; A34-I123 WeakPolarHBondContact CB-O 3.49Å; A34-I123 PolarHBondContact N-O 3.13Å; A34-F125 HydrophobicContact CB-CD2 3.83Å; A34-F125 HydrophobicContact CB-CE2 3.41Å; A34-F125 VanDerWaalsContact CB-CE2 3.41Å; A34-F125 HydrophobicContact CB-CZ 4.22Å |
| 35 | R | 80 | Confident | 87.4 | Confident | 149 Ų | 149 | 52.9 Ų | 52.9 | 56% | 0.562 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0.2 | 178.9 | -60 | -174.9 | 177 | -175 | -0.3 | 113.9 | N33 | N33-R35 PolarHBondContact O-N 3.44Å; N33-R35 WeakPolarHBondContact OD1-CB 3.48Å; N33-R35 PolarHBondContact OD1-N 3.25Å |
| 36 | V | 82.7 | Confident | 87.9 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -102.9 | 135.8 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 108.2 | N33 N38 C39 A40 | N33-V36 HydrophobicContact CB-CG2 4.25Å; N33-V36 PolarHBondContact O-N 3.03Å; V36-N38 PolarHBondContact O-N 2.85Å; V36-C39 WeakPolarHBondContact O-CA 3.47Å; V36-C39 PolarHBondContact O-N 2.87Å; V36-A40 HydrophobicContact CG1-CB 4.25Å |
| 37 | E | 75.3 | Confident | 88.4 | Confident | 192 Ų | 192 | 48.6 Ų | 48.6 | 90% | 0.897 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -37 | -168.9 | -62 | 173.8 | 166.2 | 0 | 0 | 114.2 | ||
| 38 | N | 80.1 | Confident | 88.6 | Confident | 119 Ų | 119 | 44.3 Ų | 44.3 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 12.2 | 179.1 | -64.8 | -47.7 | 0 | 0 | 0 | 114.3 | V36 A40 | V36-N38 PolarHBondContact O-N 2.85Å; N38-A40 PolarHBondContact O-N 2.91Å |
| 39 | C | 85.5 | Confident | 88.6 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 19% | 0.189 | 22% | 0.222 | C | C | . | . | trans | 43.4 | 58.5 | -173.7 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | N33 V36 C64 | N33-C39 WeakPolarHBondContact O-CA 3.14Å; V36-C39 WeakPolarHBondContact O-CA 3.47Å; V36-C39 PolarHBondContact O-N 2.87Å; C39-C64 WeakPolarHBondContact CB-SG 3.27Å; C39-C64 WeakPolarHBondContact O-CB 3.32Å; C39-C64 PolarHBondContact O-N 2.88Å; C39-C64 PolarHBondContact O-SG 2.94Å | ||
| 40 | A | 89.8 | Confident | 88.5 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 141.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | A32 N33 V36 N38 I42 R62 | A32-A40 WeakPolarHBondContact CA-O 3.08Å; N33-A40 PolarHBondContact N-O 3.41Å; V36-A40 HydrophobicContact CG1-CB 4.25Å; N38-A40 PolarHBondContact O-N 2.91Å; A40-I42 PolarHBondContact O-N 2.7Å; A40-R62 WeakPolarHBondContact CA-O 3.39Å |
| 41 | V | 91.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.6 | 176.2 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | I30 V59 Q61 R62 C64 | I30-V41 HydrophobicContact CB-CG1 4.14Å; I30-V41 HydrophobicContact CD1-CG2 3.89Å; V41-V59 HydrophobicContact CG1-CG1 4.22Å; V41-Q61 PolarHBondContact O-N 3.2Å; V41-R62 WeakPolarHBondContact CG2-O 3.44Å; V41-R62 PolarHBondContact N-O 2.94Å; V41-C64 HydrophobicContact CG2-CB 4.02Å |
| 42 | I | 90.4 | Very high | 88.3 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 33% | 0.333 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -11.8 | -177.8 | 61.2 | 163.6 | 0 | 0 | 0 | 113.9 | L15 I31 N33 A40 M60 M124 | L15-I42 HydrophobicContact CD1-CD1 4.49Å; I31-I42 HydrophobicContact CB-CG1 4.29Å; I31-I42 HydrophobicContact CG2-CD1 4.13Å; I31-I42 HydrophobicContact CG2-CG1 4.1Å; I31-I42 WeakPolarHBondContact O-CG1 3.43Å; I31-I42 PolarHBondContact O-N 3.12Å; N33-I42 HydrophobicContact CB-CG2 4.01Å; A40-I42 PolarHBondContact O-N 2.7Å; I42-M60 WeakPolarHBondContact O-CE 3.45Å; I42-M124 HydrophobicContact CD1-CE 3.78Å; I42-M124 HydrophobicContact CD1-SD 3.59Å; I42-M124 VanDerWaalsContact CD1-SD 3.59Å |
| 43 | Y | 91.3 | Very high | 88.3 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 143.5 | 172.2 | 171.2 | -84.6 | 0 | 0 | 0 | 109.5 | I19 E23 F29 I30 I31 N45 | I19-Y43 HydrophobicContact CD1-CD1 4.23Å; I19-Y43 HydrophobicContact CD1-CD2 3.78Å; I19-Y43 HydrophobicContact CD1-CE1 4.26Å; I19-Y43 HydrophobicContact CD1-CE2 3.79Å; I19-Y43 HydrophobicContact CD1-CG 4.02Å; I19-Y43 HydrophobicContact CG1-CD1 4.24Å; I19-Y43 HydrophobicContact CG1-CE1 3.97Å; I19-Y43 HydrophobicContact CG1-CE2 4.25Å; I19-Y43 HydrophobicContact CG2-CE1 4.48Å; I19-Y43 HydrophobicContact CG2-CE2 4.23Å; I19-Y43 WeakPolarHBondContact CG2-OH 3.46Å; E23-Y43 PolarHBondContact OE1-OH 2.83Å; F29-Y43 HydrophobicContact CD2-CE1 4.41Å; F29-Y43 HydrophobicContact CE1-CE1 4.47Å; F29-Y43 HydrophobicContact CE2-CD1 4.02Å; F29-Y43 AromaticContact CE2-CE1 3.59Å; F29-Y43 HydrophobicContact CE2-CE1 3.59Å; F29-Y43 HydrophobicContact CZ-CD1 4.49Å; F29-Y43 AromaticContact CZ-CE1 3.62Å; F29-Y43 HydrophobicContact CZ-CE1 3.62Å; I30-Y43 CarbonylContact C-O 3.54Å; I30-Y43 VanDerWaalsContact CA-O 3.25Å; I30-Y43 WeakPolarHBondContact CA-O 3.39Å; I30-Y43 WeakPolarHBondContact CB-O 3.34Å; I31-Y43 HydrophobicContact CD1-CD1 4.19Å; I31-Y43 HydrophobicContact CG1-CD1 4.19Å; I31-Y43 PolarHBondContact N-O 2.65Å; I31-Y43 PolarHBondContact O-N 3.01Å; Y43-N45 HydrophobicContact CE1-CB 3.78Å; Y43-N45 WeakPolarHBondContact OH-CB 3.49Å |
| 44 | C | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.4 | 165 | 63.3 | 0 | 0 | 0 | 0 | 108.6 | I30 F48 R56 V59 | I30-C44 HydrophobicContact CB-CB 4.31Å; I30-C44 HydrophobicContact CG2-CB 3.59Å; C44-F48 HydrophobicContact CB-CD1 4Å; C44-R56 PolarHBondContact O-NE 3.12Å; C44-R56 PolarHBondContact O-NH2 3.2Å; C44-V59 HydrophobicContact CB-CG1 3.86Å |
| 45 | N | 93.1 | Very high | 88.8 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | trans | -83.9 | 162.7 | 178.7 | 89.3 | -46 | 0 | 0 | 0 | 112.2 | R27 K28 F29 Y43 G47 F48 C49 | R27-N45 PolarHBondContact O-ND2 2.98Å; K28-N45 WeakPolarHBondContact CA-OD1 3.45Å; F29-N45 HydrophobicContact CD1-CB 4.12Å; F29-N45 HydrophobicContact CE1-CB 3.74Å; F29-N45 HydrophobicContact CZ-CB 4.18Å; F29-N45 PolarHBondContact N-OD1 3.23Å; F29-N45 PolarHBondContact O-N 3.29Å; F29-N45 VanDerWaalsContact O-N 3.08Å; F29-N45 PolarHBondContact O-OD1 3.49Å; Y43-N45 HydrophobicContact CE1-CB 3.78Å; Y43-N45 WeakPolarHBondContact OH-CB 3.49Å; N45-G47 VanDerWaalsContact C-N 3.3Å; N45-G47 PolarHBondContact O-N 2.7Å; N45-F48 WeakPolarHBondContact O-CB 3.49Å; N45-F48 PolarHBondContact O-N 3.12Å; N45-F48 VanDerWaalsContact O-N 3.07Å; N45-F48 WeakPolarHBondContact OD1-CB 3.27Å; N45-F48 PolarHBondContact OD1-N 2.89Å; N45-F48 VanDerWaalsContact OD1-N 3.15Å; N45-C49 PolarHBondContact O-N 3.41Å; N45-C49 PolarHBondContact O-SG 3.44Å | ||
| 46 | D | 90.3 | Very high | 89.3 | Confident | 95 Ų | 95 | 51.2 Ų | 51.2 | 51% | 0.508 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.4 | -34.4 | -174.2 | -59.8 | -30.2 | 0 | 0 | 0 | 111.9 | F48 C49 E50 R56 | D46-F48 PolarHBondContact O-N 3.23Å; D46-C49 WeakPolarHBondContact O-CA 3.41Å; D46-C49 WeakPolarHBondContact O-CB 3.42Å; D46-C49 PolarHBondContact O-N 3.18Å; D46-E50 WeakPolarHBondContact O-CG 3.47Å; D46-E50 PolarHBondContact O-N 2.81Å; D46-R56 IonicContact OD1-CZ 2.63Å; D46-R56 VanDerWaalsContact OD1-CZ 3.23Å; D46-R56 IonicContact OD1-NH1 3.64Å; D46-R56 PolarHBondContact OD1-NH1 3.42Å; D46-R56 IonicContact OD1-NH2 2.62Å; D46-R56 PolarHBondContact OD1-NH2 3.18Å |
| 47 | G | 90.6 | Very high | 89.7 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -20.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | K28 N45 L51 | K28-G47 VanDerWaalsContact CD-O 3.27Å; K28-G47 WeakPolarHBondContact CD-O 3.32Å; K28-G47 WeakPolarHBondContact CG-O 3.37Å; K28-G47 PolarHBondContact NZ-O 3.35Å; N45-G47 VanDerWaalsContact C-N 3.3Å; N45-G47 PolarHBondContact O-N 2.7Å; G47-L51 WeakPolarHBondContact O-CB 3.31Å; G47-L51 PolarHBondContact O-N 3Å |
| 48 | F | 92.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.6 | -41.2 | 167.8 | 176.6 | -91.5 | 0 | 0 | 0 | 111.5 | I30 C44 N45 D46 E50 L51 C52 V59 L69 F129 | I30-F48 HydrophobicContact CG2-CB 4.49Å; I30-F48 HydrophobicContact CG2-CD1 3.72Å; I30-F48 HydrophobicContact CG2-CD2 3.85Å; I30-F48 HydrophobicContact CG2-CE1 3.8Å; I30-F48 HydrophobicContact CG2-CE2 3.93Å; I30-F48 HydrophobicContact CG2-CG 3.74Å; I30-F48 HydrophobicContact CG2-CZ 3.89Å; C44-F48 HydrophobicContact CB-CD1 4Å; N45-F48 WeakPolarHBondContact O-CB 3.49Å; N45-F48 PolarHBondContact O-N 3.12Å; N45-F48 VanDerWaalsContact O-N 3.07Å; N45-F48 WeakPolarHBondContact OD1-CB 3.27Å; N45-F48 PolarHBondContact OD1-N 2.89Å; N45-F48 VanDerWaalsContact OD1-N 3.15Å; D46-F48 PolarHBondContact O-N 3.23Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-E50 PolarHBondContact O-N 2.88Å; F48-L51 WeakPolarHBondContact O-CB 3.42Å; F48-L51 PolarHBondContact O-N 3.03Å; F48-L51 VanDerWaalsContact O-N 3.09Å; F48-C52 PolarHBondContact O-N 3.25Å; F48-C52 VanDerWaalsContact O-N 3.1Å; F48-C52 PolarHBondContact O-SG 2.9Å; F48-V59 HydrophobicContact CD1-CG1 4.39Å; F48-V59 HydrophobicContact CE1-CG1 3.77Å; F48-V59 HydrophobicContact CE1-CG2 3.96Å; F48-L69 HydrophobicContact CE2-CD1 4.42Å; F48-L69 HydrophobicContact CZ-CD1 4.11Å; F48-F129 AromaticContact CD2-CD2 3.57Å; F48-F129 HydrophobicContact CD2-CD2 3.57Å; F48-F129 AromaticContact CD2-CE2 3.77Å; F48-F129 HydrophobicContact CD2-CE2 3.77Å; F48-F129 HydrophobicContact CD2-CG 4.05Å; F48-F129 HydrophobicContact CD2-CZ 4.39Å; F48-F129 HydrophobicContact CE2-CD1 4.16Å; F48-F129 AromaticContact CE2-CD2 3.66Å; F48-F129 HydrophobicContact CE2-CD2 3.66Å; F48-F129 AromaticContact CE2-CE1 3.99Å; F48-F129 HydrophobicContact CE2-CE1 3.99Å; F48-F129 AromaticContact CE2-CE2 3.47Å; F48-F129 HydrophobicContact CE2-CE2 3.47Å; F48-F129 VanDerWaalsContact CE2-CE2 3.47Å; F48-F129 HydrophobicContact CE2-CG 4.01Å; F48-F129 AromaticContact CE2-CZ 3.65Å; F48-F129 HydrophobicContact CE2-CZ 3.65Å; F48-F129 HydrophobicContact CZ-CE2 4.47Å; F48-F129 HydrophobicContact CZ-CZ 4.45Å |
| 49 | C | 92.1 | Very high | 90.9 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 174.2 | -56.2 | 0 | 0 | 0 | 0 | 111 | N45 D46 L51 G53 Y54 | N45-C49 PolarHBondContact O-N 3.41Å; N45-C49 PolarHBondContact O-SG 3.44Å; D46-C49 WeakPolarHBondContact O-CA 3.41Å; D46-C49 WeakPolarHBondContact O-CB 3.42Å; D46-C49 PolarHBondContact O-N 3.18Å; C49-L51 VanDerWaalsContact C-N 3.31Å; C49-L51 PolarHBondContact O-N 2.89Å; C49-G53 WeakPolarHBondContact O-CA 3.44Å; C49-G53 PolarHBondContact O-N 3.03Å; C49-Y54 WeakPolarHBondContact CA-O 3.45Å; C49-Y54 WeakPolarHBondContact CB-O 3.38Å |
| 50 | E | 90.5 | Very high | 91.1 | Very high | 146 Ų | 146 | 42.5 Ų | 42.5 | 68% | 0.682 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.8 | -36.2 | 171.8 | -70.3 | 175.5 | 175.2 | 0 | 0 | 113.2 | D46 F48 | D46-E50 WeakPolarHBondContact O-CG 3.47Å; D46-E50 PolarHBondContact O-N 2.81Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-E50 PolarHBondContact O-N 2.88Å |
| 51 | L | 90.1 | Very high | 91 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.4 | -40.3 | -177.7 | 176.8 | 60.6 | 0 | 0 | 0 | 112.3 | K28 G47 F48 C49 R100 F106 F129 V131 | K28-L51 HydrophobicContact CD-CB 4.13Å; K28-L51 HydrophobicContact CD-CD2 4.07Å; G47-L51 WeakPolarHBondContact O-CB 3.31Å; G47-L51 PolarHBondContact O-N 3Å; F48-L51 WeakPolarHBondContact O-CB 3.42Å; F48-L51 PolarHBondContact O-N 3.03Å; F48-L51 VanDerWaalsContact O-N 3.09Å; C49-L51 VanDerWaalsContact C-N 3.31Å; C49-L51 PolarHBondContact O-N 2.89Å; L51-R100 VanDerWaalsContact O-CD 3.31Å; L51-R100 WeakPolarHBondContact O-CD 3.46Å; L51-R100 WeakPolarHBondContact O-CG 3.45Å; L51-R100 PolarHBondContact O-NE 3.48Å; L51-F106 HydrophobicContact CD1-CD2 4.03Å; L51-F106 HydrophobicContact CD1-CE2 3.66Å; L51-F106 HydrophobicContact CD1-CZ 4.1Å; L51-F106 HydrophobicContact CD2-CE2 4.06Å; L51-F106 HydrophobicContact CD2-CZ 4.46Å; L51-F106 HydrophobicContact CG-CE2 3.8Å; L51-F106 HydrophobicContact CG-CZ 3.92Å; L51-F129 HydrophobicContact CD2-CB 3.78Å; L51-V131 HydrophobicContact CD1-CG2 3.41Å; L51-V131 VanDerWaalsContact CD1-CG2 3.41Å; L51-V131 HydrophobicContact CD2-CG2 4.47Å |
| 52 | C | 91.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -101 | -17.8 | -175 | 66.3 | 0 | 0 | 0 | 0 | 114.2 | F48 Y54 L69 R100 K101 | F48-C52 PolarHBondContact O-N 3.25Å; F48-C52 VanDerWaalsContact O-N 3.1Å; F48-C52 PolarHBondContact O-SG 2.9Å; C52-Y54 HydrophobicContact CB-CD2 3.92Å; C52-Y54 WeakPolarHBondContact O-CD2 3.39Å; C52-Y54 PolarHBondContact O-N 3.15Å; C52-L69 HydrophobicContact CB-CD2 3.67Å; C52-R100 CarbonylContact O-C 3.53Å; C52-R100 VanDerWaalsContact O-CA 3.25Å; C52-R100 WeakPolarHBondContact O-CA 3.42Å; C52-R100 WeakPolarHBondContact O-CB 3.29Å; C52-K101 PolarHBondContact O-N 2.88Å |
| 53 | G | 90.1 | Very high | 90.9 | Very high | 41 Ų | 41 | 55 Ų | 55 | 42% | 0.423 | 29% | 0.29 | S | S | . | . | trans | 76.3 | 2.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | C49 K101 | C49-G53 WeakPolarHBondContact O-CA 3.44Å; C49-G53 PolarHBondContact O-N 3.03Å; G53-K101 WeakPolarHBondContact O-CD 3.45Å | ||
| 54 | Y | 92.7 | Very high | 90.7 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | trans | -88.8 | 145.1 | 174.6 | -66.5 | -91.6 | 0 | 0 | 0 | 111.1 | C49 C52 E58 F68 L69 K101 | C49-Y54 WeakPolarHBondContact CA-O 3.45Å; C49-Y54 WeakPolarHBondContact CB-O 3.38Å; C52-Y54 HydrophobicContact CB-CD2 3.92Å; C52-Y54 WeakPolarHBondContact O-CD2 3.39Å; C52-Y54 PolarHBondContact O-N 3.15Å; Y54-E58 HydrophobicContact CD1-CB 4.23Å; Y54-F68 HydrophobicContact CD2-CD2 4.3Å; Y54-F68 HydrophobicContact CD2-CE2 4.43Å; Y54-F68 HydrophobicContact CE2-CD2 4.27Å; Y54-F68 HydrophobicContact CG-CD2 4.49Å; Y54-F68 PolarHBondContact OH-O 3.01Å; Y54-L69 HydrophobicContact CD2-CD2 4.01Å; Y54-L69 HydrophobicContact CE2-CD2 3.88Å; Y54-K101 HydrophobicContact CD1-CB 4.46Å; Y54-K101 HydrophobicContact CD1-CD 3.98Å; Y54-K101 HydrophobicContact CD1-CG 4.25Å; Y54-K101 HydrophobicContact CD2-CB 4.1Å; Y54-K101 HydrophobicContact CE1-CB 4.24Å; Y54-K101 HydrophobicContact CE1-CD 4.17Å; Y54-K101 HydrophobicContact CE1-CG 3.97Å; Y54-K101 HydrophobicContact CE2-CB 3.85Å; Y54-K101 HydrophobicContact CE2-CG 4.48Å; Y54-K101 HydrophobicContact CG-CB 4.39Å; Y54-K101 HydrophobicContact CG-CD 4.33Å | ||
| 55 | S | 92.7 | Very high | 90.5 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | trans | -76.5 | 155.9 | 175 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | A57 E58 V59 | S55-A57 PolarHBondContact O-N 3.27Å; S55-A57 VanDerWaalsContact O-N 3.1Å; S55-E58 WeakPolarHBondContact CB-OE2 3.27Å; S55-E58 PolarHBondContact N-OE2 2.85Å; S55-E58 PolarHBondContact O-N 2.93Å; S55-E58 WeakPolarHBondContact OG-CG 3.4Å; S55-E58 PolarHBondContact OG-OE2 3.37Å; S55-V59 PolarHBondContact O-N 3.02Å | ||
| 56 | R | 91.4 | Very high | 90.3 | Very high | 99 Ų | 99 | 54.2 Ų | 54.2 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -52.1 | -34.2 | 174.7 | 179.3 | 171.7 | -75.8 | 120.9 | -0.5 | 112.4 | C44 D46 E58 V59 M60 | C44-R56 PolarHBondContact O-NE 3.12Å; C44-R56 PolarHBondContact O-NH2 3.2Å; D46-R56 IonicContact OD1-CZ 2.63Å; D46-R56 VanDerWaalsContact OD1-CZ 3.23Å; D46-R56 IonicContact OD1-NH1 3.64Å; D46-R56 PolarHBondContact OD1-NH1 3.42Å; D46-R56 IonicContact OD1-NH2 2.62Å; D46-R56 PolarHBondContact OD1-NH2 3.18Å; R56-E58 VanDerWaalsContact C-N 3.33Å; R56-E58 PolarHBondContact O-N 2.92Å; R56-V59 PolarHBondContact O-N 3.37Å; R56-M60 HydrophobicContact CG-CG 3.83Å; R56-M60 VanDerWaalsContact O-CB 3.3Å; R56-M60 WeakPolarHBondContact O-CB 3.27Å; R56-M60 WeakPolarHBondContact O-CG 3.21Å; R56-M60 PolarHBondContact O-N 2.63Å |
| 57 | A | 89.3 | Confident | 90.1 | Very high | 90 Ų | 90 | 54 Ų | 54 | 74% | 0.744 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.3 | -26.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S55 | S55-A57 PolarHBondContact O-N 3.27Å; S55-A57 VanDerWaalsContact O-N 3.1Å |
| 58 | E | 90.9 | Very high | 90.1 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -86 | -26.6 | 179.3 | -67.5 | 165.4 | 121.1 | 0 | 0 | 112.6 | Y54 S55 R56 R62 K101 | Y54-E58 HydrophobicContact CD1-CB 4.23Å; S55-E58 WeakPolarHBondContact CB-OE2 3.27Å; S55-E58 PolarHBondContact N-OE2 2.85Å; S55-E58 PolarHBondContact O-N 2.93Å; S55-E58 WeakPolarHBondContact OG-CG 3.4Å; S55-E58 PolarHBondContact OG-OE2 3.37Å; R56-E58 VanDerWaalsContact C-N 3.33Å; R56-E58 PolarHBondContact O-N 2.92Å; E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.45Å; E58-R62 PolarHBondContact O-NE 2.87Å; E58-K101 WeakPolarHBondContact OE1-CE 3.4Å; E58-K101 IonicContact OE1-NZ 2.78Å; E58-K101 PolarHBondContact OE1-NZ 3.24Å; E58-K101 IonicContact OE2-NZ 2.72Å; E58-K101 PolarHBondContact OE2-NZ 2.92Å |
| 59 | V | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -88.2 | -38.3 | -177.8 | 175 | 0 | 0 | 0 | 0 | 112.4 | V41 C44 F48 S55 R56 R62 F68 | V41-V59 HydrophobicContact CG1-CG1 4.22Å; C44-V59 HydrophobicContact CB-CG1 3.86Å; F48-V59 HydrophobicContact CD1-CG1 4.39Å; F48-V59 HydrophobicContact CE1-CG1 3.77Å; F48-V59 HydrophobicContact CE1-CG2 3.96Å; S55-V59 PolarHBondContact O-N 3.02Å; R56-V59 PolarHBondContact O-N 3.37Å; V59-R62 WeakPolarHBondContact O-CB 3.34Å; V59-R62 WeakPolarHBondContact O-CG 3.25Å; V59-R62 PolarHBondContact O-N 3Å; V59-F68 HydrophobicContact CG1-CZ 4.34Å; V59-F68 HydrophobicContact CG2-CE2 4.2Å; V59-F68 HydrophobicContact CG2-CZ 4.21Å |
| 60 | M | 89.6 | Confident | 90 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 148.8 | -179.6 | -73.4 | -77.4 | -71.5 | 0 | 0 | 111.9 | I42 R56 R62 | I42-M60 WeakPolarHBondContact O-CE 3.45Å; R56-M60 HydrophobicContact CG-CG 3.83Å; R56-M60 VanDerWaalsContact O-CB 3.3Å; R56-M60 WeakPolarHBondContact O-CB 3.27Å; R56-M60 WeakPolarHBondContact O-CG 3.21Å; R56-M60 PolarHBondContact O-N 2.63Å; M60-R62 PolarHBondContact O-N 3.03Å |
| 61 | Q | 86.6 | Confident | 89.9 | Confident | 172 Ų | 172 | 51.7 Ų | 51.7 | 80% | 0.804 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 0.2 | -177.3 | -56.1 | -177.6 | -7.8 | 0 | 0 | 115.9 | V41 | V41-Q61 PolarHBondContact O-N 3.2Š|
| 62 | R | 89.8 | Confident | 89.7 | Confident | 129 Ų | 129 | 57.6 Ų | 57.6 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -74.1 | 157.7 | 170.4 | -62.4 | -62.5 | -168.4 | 146.9 | -1.5 | 112 | A40 V41 E58 V59 M60 F68 | A40-R62 WeakPolarHBondContact CA-O 3.39Å; V41-R62 WeakPolarHBondContact CG2-O 3.44Å; V41-R62 PolarHBondContact N-O 2.94Å; E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.45Å; E58-R62 PolarHBondContact O-NE 2.87Å; V59-R62 WeakPolarHBondContact O-CB 3.34Å; V59-R62 WeakPolarHBondContact O-CG 3.25Å; V59-R62 PolarHBondContact O-N 3Å; M60-R62 PolarHBondContact O-N 3.03Å; R62-F68 HydrophobicContact CB-CD1 4.31Å; R62-F68 HydrophobicContact CB-CE1 3.85Å; R62-F68 HydrophobicContact CG-CD1 4.21Å; R62-F68 HydrophobicContact CG-CE1 4Å |
| 63 | P | 90.3 | Very high | 89.4 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -59.8 | 140.1 | 166.6 | -21.6 | 33.7 | 0 | 0 | 0 | 111.9 | T65 C66 | P63-T65 PolarHBondContact O-N 3.23Å; P63-C66 PolarHBondContact O-N 3.3Å |
| 64 | C | 87.9 | Confident | 89.4 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.014 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 1.5 | 179.5 | 61.9 | 0 | 0 | 0 | 0 | 115.4 | A32 C39 V41 C66 L127 | A32-C64 HydrophobicContact CB-CB 3.47Å; A32-C64 VanDerWaalsContact CB-CB 3.47Å; C39-C64 WeakPolarHBondContact CB-SG 3.27Å; C39-C64 WeakPolarHBondContact O-CB 3.32Å; C39-C64 PolarHBondContact O-N 2.88Å; C39-C64 PolarHBondContact O-SG 2.94Å; V41-C64 HydrophobicContact CG2-CB 4.02Å; C64-C66 PolarHBondContact O-N 2.91Å; C64-L127 HydrophobicContact CB-CD1 4.24Å; C64-L127 WeakPolarHBondContact O-CD2 3.26Å |
| 65 | T | 87.3 | Confident | 89.2 | Confident | 37 Ų | 37 | 68.6 Ų | 68.6 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.2 | 163.4 | 48 | 0 | 0 | 0 | 0 | 112.5 | P63 D67 H70 A83 L86 | P63-T65 PolarHBondContact O-N 3.23Å; T65-D67 WeakPolarHBondContact CB-OD1 3.38Å; T65-D67 PolarHBondContact O-N 2.81Å; T65-D67 PolarHBondContact OG1-OD1 3Å; T65-H70 PolarHBondContact O-CE1 2.85Å; T65-A83 HydrophobicContact CG2-CB 4.39Å; T65-L86 HydrophobicContact CG2-CD1 4.04Å |
| 66 | C | 88.5 | Confident | 89 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | trans | 57 | 43.4 | 176.5 | -65.8 | 0 | 0 | 0 | 0 | 113.8 | P63 C64 F68 L69 H70 | P63-C66 PolarHBondContact O-N 3.3Å; C64-C66 PolarHBondContact O-N 2.91Å; C66-F68 HydrophobicContact CB-CE1 4.24Å; C66-F68 HydrophobicContact CB-CZ 4.36Å; C66-F68 PolarHBondContact O-N 3.24Å; C66-L69 HydrophobicContact CB-CD1 3.97Å; C66-L69 HydrophobicContact CB-CG 4.19Å; C66-L69 WeakPolarHBondContact O-CB 3.5Å; C66-L69 PolarHBondContact O-N 2.87Å; C66-H70 PolarHBondContact O-ND1 3.46Å | ||
| 67 | D | 87.8 | Confident | 88.9 | Confident | 92 Ų | 92 | 82 Ų | 82 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -50.9 | -31.9 | 179.7 | -45.6 | -14.9 | 0 | 0 | 0 | 112.9 | T65 L69 H70 | T65-D67 WeakPolarHBondContact CB-OD1 3.38Å; T65-D67 PolarHBondContact O-N 2.81Å; T65-D67 PolarHBondContact OG1-OD1 3Å; D67-L69 PolarHBondContact O-N 3.43Å; D67-H70 VanDerWaalsContact O-CB 3.27Å; D67-H70 WeakPolarHBondContact O-CB 3.35Å; D67-H70 PolarHBondContact O-N 2.83Å |
| 68 | F | 89.6 | Confident | 88.7 | Confident | 42 Ų | 42 | 78 Ų | 78 | 18% | 0.184 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -68.6 | -11.9 | 178 | 61.8 | -91.2 | 0 | 0 | 0 | 114.4 | Y54 V59 R62 C66 | Y54-F68 HydrophobicContact CD2-CD2 4.3Å; Y54-F68 HydrophobicContact CD2-CE2 4.43Å; Y54-F68 HydrophobicContact CE2-CD2 4.27Å; Y54-F68 HydrophobicContact CG-CD2 4.49Å; Y54-F68 PolarHBondContact OH-O 3.01Å; V59-F68 HydrophobicContact CG1-CZ 4.34Å; V59-F68 HydrophobicContact CG2-CE2 4.2Å; V59-F68 HydrophobicContact CG2-CZ 4.21Å; R62-F68 HydrophobicContact CB-CD1 4.31Å; R62-F68 HydrophobicContact CB-CE1 3.85Å; R62-F68 HydrophobicContact CG-CD1 4.21Å; R62-F68 HydrophobicContact CG-CE1 4Å; C66-F68 HydrophobicContact CB-CE1 4.24Å; C66-F68 HydrophobicContact CB-CZ 4.36Å; C66-F68 PolarHBondContact O-N 3.24Å |
| 69 | L | 91.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -94.3 | -4.3 | 171 | -57.2 | -176.8 | 0 | 0 | 0 | 112.8 | F48 C52 Y54 C66 D67 F98 Y99 | F48-L69 HydrophobicContact CE2-CD1 4.42Å; F48-L69 HydrophobicContact CZ-CD1 4.11Å; C52-L69 HydrophobicContact CB-CD2 3.67Å; Y54-L69 HydrophobicContact CD2-CD2 4.01Å; Y54-L69 HydrophobicContact CE2-CD2 3.88Å; C66-L69 HydrophobicContact CB-CD1 3.97Å; C66-L69 HydrophobicContact CB-CG 4.19Å; C66-L69 WeakPolarHBondContact O-CB 3.5Å; C66-L69 PolarHBondContact O-N 2.87Å; D67-L69 PolarHBondContact O-N 3.43Å; L69-F98 HydrophobicContact CB-CB 4.17Å; L69-F98 HydrophobicContact CB-CD1 3.48Å; L69-F98 VanDerWaalsContact CB-CD1 3.48Å; L69-F98 HydrophobicContact CB-CE1 3.97Å; L69-F98 HydrophobicContact CB-CG 3.91Å; L69-F98 HydrophobicContact CD1-CD1 4.35Å; L69-F98 HydrophobicContact CD1-CD2 4.27Å; L69-F98 HydrophobicContact CD1-CE1 4.46Å; L69-F98 HydrophobicContact CD1-CE2 4.39Å; L69-F98 HydrophobicContact CD1-CG 4.25Å; L69-F98 HydrophobicContact CD1-CZ 4.48Å; L69-F98 WeakPolarHBondContact O-CA 3.45Å; L69-Y99 PolarHBondContact O-N 2.87Å |
| 70 | H | 91.1 | Very high | 88.5 | Confident | 65 Ų | 65 | 78.8 Ų | 78.8 | 30% | 0.301 | 38% | 0.381 | S | S | . | . | trans | -80.1 | 145.7 | -179.4 | -63.1 | 17.8 | 0 | 0 | 0 | 111.2 | T65 C66 D67 T74 F98 | T65-H70 PolarHBondContact O-CE1 2.85Å; C66-H70 PolarHBondContact O-ND1 3.46Å; D67-H70 VanDerWaalsContact O-CB 3.27Å; D67-H70 WeakPolarHBondContact O-CB 3.35Å; D67-H70 PolarHBondContact O-N 2.83Å; H70-T74 HydrophobicContact CB-CG2 4.08Å; H70-F98 AromaticContact ND1-CE1 3.95Å | ||
| 71 | G | 88.9 | Confident | 88.5 | Confident | 26 Ų | 26 | 79.7 Ų | 79.7 | 27% | 0.268 | 38% | 0.384 | S | S | . | . | trans | -158.9 | -166.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R73 T74 Y99 | G71-R73 VanDerWaalsContact C-N 3.31Å; G71-R73 PolarHBondContact O-N 3.33Å; G71-R73 VanDerWaalsContact O-N 3.12Å; G71-T74 PolarHBondContact N-OG1 2.89Å; G71-T74 VanDerWaalsContact O-CB 3.26Å; G71-T74 WeakPolarHBondContact O-CB 3.19Å; G71-T74 PolarHBondContact O-N 2.68Å; G71-T74 PolarHBondContact O-OG1 2.63Å; G71-Y99 VanDerWaalsContact C-CE2 3.48Å; G71-Y99 VanDerWaalsContact CA-CD2 3.46Å; G71-Y99 VanDerWaalsContact CA-CE2 3.5Å | ||
| 72 | P | 86.4 | Confident | 88.6 | Confident | 129 Ų | 129 | 71.7 Ų | 71.7 | 84% | 0.838 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -33.4 | -169.1 | -30.9 | 36.3 | 0 | 0 | 0 | 116.7 | ||
| 73 | R | 84.4 | Confident | 88.6 | Confident | 169 Ų | 169 | 67.2 Ų | 67.2 | 64% | 0.638 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.5 | 176.5 | -69.5 | -179.7 | 71.6 | -174.4 | 2 | 114.4 | G71 Q75 A97 Y99 | G71-R73 VanDerWaalsContact C-N 3.31Å; G71-R73 PolarHBondContact O-N 3.33Å; G71-R73 VanDerWaalsContact O-N 3.12Å; R73-Q75 PolarHBondContact O-N 3.47Å; R73-A97 HydrophobicContact CB-CB 4.19Å; R73-Y99 HydrophobicContact CB-CE2 4.22Å; R73-Y99 WeakPolarHBondContact CB-OH 3.21Å; R73-Y99 WeakPolarHBondContact CG-OH 3.21Å; R73-Y99 PolarHBondContact N-OH 3.24Å |
| 74 | T | 89.2 | Confident | 88.5 | Confident | 19 Ų | 19 | 70.7 Ų | 70.7 | 12% | 0.117 | 35% | 0.35 | C | S | . | . | trans | -75.6 | 114.3 | -177.2 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | H70 G71 R76 I96 A97 | H70-T74 HydrophobicContact CB-CG2 4.08Å; G71-T74 PolarHBondContact N-OG1 2.89Å; G71-T74 VanDerWaalsContact O-CB 3.26Å; G71-T74 WeakPolarHBondContact O-CB 3.19Å; G71-T74 PolarHBondContact O-N 2.68Å; G71-T74 PolarHBondContact O-OG1 2.63Å; T74-R76 PolarHBondContact O-N 3.13Å; T74-I96 HydrophobicContact CG2-CD1 3.74Å; T74-I96 HydrophobicContact CG2-CG1 3.78Å; T74-A97 WeakPolarHBondContact CB-O 3.33Å; T74-A97 PolarHBondContact OG1-O 2.93Å | ||
| 75 | Q | 89.4 | Confident | 88.5 | Confident | 135 Ų | 135 | 70.6 Ų | 70.6 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | trans | -71.2 | 121.7 | -178.6 | -61.5 | -170.2 | 28.5 | 0 | 0 | 111.5 | R73 R77 A78 A79 | R73-Q75 PolarHBondContact O-N 3.47Å; Q75-R77 PolarHBondContact O-N 3.42Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-A78 HydrophobicContact CB-CB 4.24Å; Q75-A78 WeakPolarHBondContact O-CB 3.44Å; Q75-A78 PolarHBondContact O-N 3.07Å; Q75-A79 PolarHBondContact O-N 2.64Å; Q75-A79 VanDerWaalsContact O-N 3.16Å | ||
| 76 | R | 87.1 | Confident | 88.5 | Confident | 232 Ų | 232 | 69.6 Ų | 69.6 | 88% | 0.875 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -54.7 | -30 | 175.3 | -67.3 | -175 | -177.8 | 173.7 | 0.7 | 113.5 | T74 A80 | T74-R76 PolarHBondContact O-N 3.13Å; R76-A80 WeakPolarHBondContact O-CB 3.43Å; R76-A80 PolarHBondContact O-N 3.11Å |
| 77 | R | 89.3 | Confident | 88.3 | Confident | 205 Ų | 205 | 77.1 Ų | 77.1 | 77% | 0.774 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.4 | -40.2 | 175.1 | -69.4 | -177.7 | 178.2 | 173.8 | -0.6 | 112.5 | Q75 Q81 | Q75-R77 PolarHBondContact O-N 3.42Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; R77-Q81 VanDerWaalsContact O-CG 3.31Å; R77-Q81 WeakPolarHBondContact O-CG 3.39Å; R77-Q81 PolarHBondContact O-N 3.2Å; R77-Q81 VanDerWaalsContact O-N 3.1Å |
| 78 | A | 86.3 | Confident | 88.1 | Confident | 6 Ų | 6 | 74.8 Ų | 74.8 | 5% | 0.05 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.6 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q75 A80 Q81 I82 V94 I96 | Q75-A78 HydrophobicContact CB-CB 4.24Å; Q75-A78 WeakPolarHBondContact O-CB 3.44Å; Q75-A78 PolarHBondContact O-N 3.07Å; A78-A80 VanDerWaalsContact C-N 3.32Å; A78-A80 PolarHBondContact O-N 3.37Å; A78-Q81 WeakPolarHBondContact O-CB 3.41Å; A78-Q81 PolarHBondContact O-N 2.96Å; A78-Q81 VanDerWaalsContact O-N 3.08Å; A78-I82 PolarHBondContact O-N 3.43Å; A78-I82 VanDerWaalsContact O-N 3.09Å; A78-V94 HydrophobicContact CB-CG1 3.86Å; A78-I96 HydrophobicContact CB-CB 4.16Å; A78-I96 HydrophobicContact CB-CD1 4.01Å; A78-I96 HydrophobicContact CB-CG1 4.01Å |
| 79 | A | 88.2 | Confident | 87.9 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q75 Q81 I82 A83 I96 | Q75-A79 PolarHBondContact O-N 2.64Å; Q75-A79 VanDerWaalsContact O-N 3.16Å; A79-Q81 VanDerWaalsContact C-N 3.34Å; A79-Q81 PolarHBondContact O-N 3.45Å; A79-I82 PolarHBondContact O-N 3.39Å; A79-A83 PolarHBondContact O-N 3.48Å; A79-A83 VanDerWaalsContact O-N 3.08Å; A79-I96 HydrophobicContact CB-CD1 4.43Å |
| 80 | A | 89.4 | Confident | 87.5 | Confident | 57 Ų | 57 | 78.6 Ų | 78.6 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.5 | -34.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | R76 A78 A83 Q84 | R76-A80 WeakPolarHBondContact O-CB 3.43Å; R76-A80 PolarHBondContact O-N 3.11Å; A78-A80 VanDerWaalsContact C-N 3.32Å; A78-A80 PolarHBondContact O-N 3.37Å; A80-A83 PolarHBondContact O-N 3.33Å; A80-Q84 WeakPolarHBondContact O-CB 3.25Å; A80-Q84 PolarHBondContact O-N 3.33Å |
| 81 | Q | 89.9 | Confident | 87.4 | Confident | 86 Ų | 86 | 80 Ų | 80 | 40% | 0.402 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 175.1 | -74.4 | 169.1 | -2.3 | 0 | 0 | 112.7 | R77 A78 A79 Q84 A85 V94 | R77-Q81 VanDerWaalsContact O-CG 3.31Å; R77-Q81 WeakPolarHBondContact O-CG 3.39Å; R77-Q81 PolarHBondContact O-N 3.2Å; R77-Q81 VanDerWaalsContact O-N 3.1Å; A78-Q81 WeakPolarHBondContact O-CB 3.41Å; A78-Q81 PolarHBondContact O-N 2.96Å; A78-Q81 VanDerWaalsContact O-N 3.08Å; A79-Q81 VanDerWaalsContact C-N 3.34Å; A79-Q81 PolarHBondContact O-N 3.45Å; Q81-Q84 PolarHBondContact O-N 2.62Å; Q81-A85 WeakPolarHBondContact O-CB 3.31Å; Q81-A85 PolarHBondContact O-N 2.77Å; Q81-V94 HydrophobicContact CB-CG1 4.25Å; Q81-V94 HydrophobicContact CB-CG2 3.96Å |
| 82 | I | 89.2 | Confident | 87.4 | Confident | 4 Ų | 4 | 82.7 Ų | 82.7 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.2 | -48.5 | 173.8 | -64.1 | 170.3 | 0 | 0 | 0 | 109.8 | A78 A79 Q84 A85 L86 V94 I96 V110 V112 | A78-I82 PolarHBondContact O-N 3.43Å; A78-I82 VanDerWaalsContact O-N 3.09Å; A79-I82 PolarHBondContact O-N 3.39Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 2.75Å; I82-A85 PolarHBondContact O-N 2.92Å; I82-L86 HydrophobicContact CG2-CD1 4.22Å; I82-L86 WeakPolarHBondContact O-CG 3.48Å; I82-L86 PolarHBondContact O-N 3.31Å; I82-L86 VanDerWaalsContact O-N 3.08Å; I82-V94 HydrophobicContact CD1-CB 4.41Å; I82-V94 HydrophobicContact CD1-CG1 4.36Å; I82-V94 HydrophobicContact CG1-CB 3.87Å; I82-V94 HydrophobicContact CG1-CG1 4Å; I82-V94 HydrophobicContact CG1-CG2 4.01Å; I82-I96 HydrophobicContact CD1-CD1 3.87Å; I82-I96 HydrophobicContact CD1-CG2 4.27Å; I82-V110 HydrophobicContact CD1-CB 4.31Å; I82-V110 HydrophobicContact CD1-CG1 4.42Å; I82-V110 HydrophobicContact CD1-CG2 4.26Å; I82-V112 HydrophobicContact CG2-CG2 4.41Å |
| 83 | A | 88.8 | Confident | 87.7 | Confident | 34 Ų | 34 | 81.6 Ų | 81.6 | 28% | 0.281 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T65 A79 A80 L86 L87 | T65-A83 HydrophobicContact CG2-CB 4.39Å; A79-A83 PolarHBondContact O-N 3.48Å; A79-A83 VanDerWaalsContact O-N 3.08Å; A80-A83 PolarHBondContact O-N 3.33Å; A83-L86 PolarHBondContact O-N 2.84Å; A83-L87 WeakPolarHBondContact O-CG 3.39Å; A83-L87 PolarHBondContact O-N 2.94Å |
| 84 | Q | 88.6 | Confident | 88 | Confident | 120 Ų | 120 | 73.7 Ų | 73.7 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.1 | -36.1 | 176.2 | -170 | 177 | 16 | 0 | 0 | 112.8 | A80 Q81 I82 G88 | A80-Q84 WeakPolarHBondContact O-CB 3.25Å; A80-Q84 PolarHBondContact O-N 3.33Å; Q81-Q84 PolarHBondContact O-N 2.62Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 2.75Å; Q84-G88 WeakPolarHBondContact O-CA 3.13Å; Q84-G88 PolarHBondContact O-N 3Å |
| 85 | A | 88.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q81 I82 G88 A89 E90 R92 V112 | Q81-A85 WeakPolarHBondContact O-CB 3.31Å; Q81-A85 PolarHBondContact O-N 2.77Å; I82-A85 PolarHBondContact O-N 2.92Å; A85-G88 PolarHBondContact O-N 3.44Å; A85-A89 PolarHBondContact O-N 2.85Å; A85-A89 VanDerWaalsContact O-N 3.09Å; A85-E90 PolarHBondContact O-N 3.49Å; A85-R92 HydrophobicContact CB-CB 3.75Å; A85-V112 HydrophobicContact CB-CB 4.45Å; A85-V112 HydrophobicContact CB-CG1 4.36Å |
| 86 | L | 87.6 | Confident | 88.3 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.2 | -50.4 | 174.8 | -66.2 | 167.8 | 0 | 0 | 0 | 111.1 | T65 I82 A83 G88 V112 F125 L127 | T65-L86 HydrophobicContact CG2-CD1 4.04Å; I82-L86 HydrophobicContact CG2-CD1 4.22Å; I82-L86 WeakPolarHBondContact O-CG 3.48Å; I82-L86 PolarHBondContact O-N 3.31Å; I82-L86 VanDerWaalsContact O-N 3.08Å; A83-L86 PolarHBondContact O-N 2.84Å; L86-G88 PolarHBondContact O-N 3.17Å; L86-V112 HydrophobicContact CD2-CG1 3.93Å; L86-V112 HydrophobicContact CG-CG1 4.49Å; L86-F125 HydrophobicContact CD2-CB 4.04Å; L86-F125 HydrophobicContact CD2-CD1 3.7Å; L86-F125 HydrophobicContact CD2-CD2 3.88Å; L86-F125 HydrophobicContact CD2-CE1 4.07Å; L86-F125 HydrophobicContact CD2-CE2 4.25Å; L86-F125 HydrophobicContact CD2-CG 3.6Å; L86-F125 HydrophobicContact CD2-CZ 4.35Å; L86-F125 WeakPolarHBondContact O-CZ 3.36Å; L86-L127 HydrophobicContact CD2-CD1 4.41Å |
| 87 | L | 85.1 | Confident | 88.5 | Confident | 160 Ų | 160 | 61.2 Ų | 61.2 | 84% | 0.838 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.9 | -33.6 | 177.9 | -68.7 | 171.8 | 0 | 0 | 0 | 113.3 | A83 | A83-L87 WeakPolarHBondContact O-CG 3.39Å; A83-L87 PolarHBondContact O-N 2.94Å |
| 88 | G | 82.9 | Confident | 88.7 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 44% | 0.443 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -81.7 | -11.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q84 A85 L86 E90 | Q84-G88 WeakPolarHBondContact O-CA 3.13Å; Q84-G88 PolarHBondContact O-N 3Å; A85-G88 PolarHBondContact O-N 3.44Å; L86-G88 PolarHBondContact O-N 3.17Å; G88-E90 PolarHBondContact O-N 3.08Å |
| 89 | A | 84.3 | Confident | 89 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 35.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | A85 K116 V122 | A85-A89 PolarHBondContact O-N 2.85Å; A85-A89 VanDerWaalsContact O-N 3.09Å; A89-K116 PolarHBondContact O-NZ 3.02Å; A89-V122 HydrophobicContact CB-CG2 3.58Å |
| 90 | E | 84.4 | Confident | 89.2 | Confident | 95 Ų | 95 | 56.3 Ų | 56.3 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | trans | -105.8 | 149.7 | 180 | -65.7 | -175.5 | 166.9 | 0 | 0 | 112.2 | A85 G88 R92 | A85-E90 PolarHBondContact O-N 3.49Å; G88-E90 PolarHBondContact O-N 3.08Å; E90-R92 IonicContact OE2-CZ 2.72Å; E90-R92 IonicContact OE2-NE 3.33Å; E90-R92 IonicContact OE2-NH2 3.94Å; E90-R92 PolarHBondContact OE2-NH2 3.28Å | ||
| 91 | E | 87.9 | Confident | 89.3 | Confident | 94 Ų | 94 | 58.6 Ų | 58.6 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | trans | -74.6 | 124.8 | 164.5 | -174.4 | -178.1 | 151.8 | 0 | 0 | 108.8 | K93 V112 V113 | E91-K93 IonicContact OE1-NZ 3.31Å; E91-K93 PolarHBondContact OE1-NZ 3.42Å; E91-V112 WeakPolarHBondContact CA-O 3.21Å; E91-V113 HydrophobicContact CG-CG2 4.38Å | ||
| 92 | R | 89.5 | Confident | 89.2 | Confident | 84 Ų | 84 | 60 Ų | 60 | 32% | 0.317 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 132.8 | -179.8 | -162.8 | 170.8 | -71.3 | -138.2 | -0.1 | 111.9 | A85 E90 V94 V112 | A85-R92 HydrophobicContact CB-CB 3.75Å; E90-R92 IonicContact OE2-CZ 2.72Å; E90-R92 IonicContact OE2-NE 3.33Å; E90-R92 IonicContact OE2-NH2 3.94Å; E90-R92 PolarHBondContact OE2-NH2 3.28Å; R92-V94 HydrophobicContact CG-CG2 4.15Å; R92-V112 PolarHBondContact N-O 2.93Å; R92-V112 VanDerWaalsContact N-O 3.12Å; R92-V112 PolarHBondContact O-N 3.27Å |
| 93 | K | 92.4 | Very high | 89 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.5 | 174.6 | -53 | -169.5 | -157.7 | -62.4 | 0 | 108.8 | E91 L109 V110 D111 | E91-K93 IonicContact OE1-NZ 3.31Å; E91-K93 PolarHBondContact OE1-NZ 3.42Å; K93-L109 HydrophobicContact CB-CD1 4.16Å; K93-V110 CarbonylContact C-O 3.56Å; K93-V110 VanDerWaalsContact CA-O 3.32Å; K93-V110 WeakPolarHBondContact CA-O 3.41Å; K93-D111 HydrophobicContact CG-CB 4.39Å; K93-D111 WeakPolarHBondContact CG-OD1 3.36Å; K93-D111 IonicContact NZ-OD1 3.66Å; K93-D111 PolarHBondContact NZ-OD1 3.1Å; K93-D111 IonicContact NZ-OD2 3.66Å; K93-D111 PolarHBondContact NZ-OD2 3.29Å |
| 94 | V | 91.5 | Very high | 89 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.4 | -177.1 | -176 | 0 | 0 | 0 | 0 | 109.1 | A78 Q81 I82 R92 V110 | A78-V94 HydrophobicContact CB-CG1 3.86Å; Q81-V94 HydrophobicContact CB-CG1 4.25Å; Q81-V94 HydrophobicContact CB-CG2 3.96Å; I82-V94 HydrophobicContact CD1-CB 4.41Å; I82-V94 HydrophobicContact CD1-CG1 4.36Å; I82-V94 HydrophobicContact CG1-CB 3.87Å; I82-V94 HydrophobicContact CG1-CG1 4Å; I82-V94 HydrophobicContact CG1-CG2 4.01Å; R92-V94 HydrophobicContact CG-CG2 4.15Å; V94-V110 PolarHBondContact N-O 3.32Å; V94-V110 PolarHBondContact O-N 3.49Å |
| 95 | E | 92.4 | Very high | 89.1 | Confident | 106 Ų | 106 | 59 Ų | 59 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.7 | 173.7 | -175.3 | 171.7 | -135.5 | 0 | 0 | 110.2 | L107 L109 | E95-L107 HydrophobicContact CG-CD1 3.82Å; E95-L107 HydrophobicContact CG-CG 4.17Å; E95-L107 WeakPolarHBondContact OE1-CD2 3.44Å; E95-L109 HydrophobicContact CB-CD1 4.26Å |
| 96 | I | 91.9 | Very high | 89.2 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 139 | -172.6 | -167.9 | 165.9 | 0 | 0 | 0 | 110.9 | T74 A78 A79 I82 F98 C108 V110 | T74-I96 HydrophobicContact CG2-CD1 3.74Å; T74-I96 HydrophobicContact CG2-CG1 3.78Å; A78-I96 HydrophobicContact CB-CB 4.16Å; A78-I96 HydrophobicContact CB-CD1 4.01Å; A78-I96 HydrophobicContact CB-CG1 4.01Å; A79-I96 HydrophobicContact CB-CD1 4.43Å; I82-I96 HydrophobicContact CD1-CD1 3.87Å; I82-I96 HydrophobicContact CD1-CG2 4.27Å; I96-F98 HydrophobicContact CD1-CE1 3.97Å; I96-F98 HydrophobicContact CD1-CZ 4.38Å; I96-F98 HydrophobicContact CG1-CE1 4.26Å; I96-F98 HydrophobicContact CG2-CD1 4.31Å; I96-F98 HydrophobicContact CG2-CD2 4.01Å; I96-F98 HydrophobicContact CG2-CE1 3.86Å; I96-F98 HydrophobicContact CG2-CE2 3.52Å; I96-F98 HydrophobicContact CG2-CG 4.38Å; I96-F98 HydrophobicContact CG2-CZ 3.44Å; I96-F98 VanDerWaalsContact CG2-CZ 3.44Å; I96-C108 PolarHBondContact N-O 3.2Å; I96-C108 PolarHBondContact O-N 3.01Å; I96-C108 VanDerWaalsContact O-O 3.11Å; I96-V110 HydrophobicContact CG2-CG2 3.67Å |
| 97 | A | 91.6 | Very high | 89.3 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 119.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | R73 T74 F106 | R73-A97 HydrophobicContact CB-CB 4.19Å; T74-A97 WeakPolarHBondContact CB-O 3.33Å; T74-A97 PolarHBondContact OG1-O 2.93Å; A97-F106 WeakPolarHBondContact CA-O 3.3Å |
| 98 | F | 93.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 159.5 | 176.4 | -74.5 | -44.1 | 0 | 0 | 0 | 111.6 | L69 H70 I96 C105 F106 C108 V110 F129 | L69-F98 HydrophobicContact CB-CB 4.17Å; L69-F98 HydrophobicContact CB-CD1 3.48Å; L69-F98 VanDerWaalsContact CB-CD1 3.48Å; L69-F98 HydrophobicContact CB-CE1 3.97Å; L69-F98 HydrophobicContact CB-CG 3.91Å; L69-F98 HydrophobicContact CD1-CD1 4.35Å; L69-F98 HydrophobicContact CD1-CD2 4.27Å; L69-F98 HydrophobicContact CD1-CE1 4.46Å; L69-F98 HydrophobicContact CD1-CE2 4.39Å; L69-F98 HydrophobicContact CD1-CG 4.25Å; L69-F98 HydrophobicContact CD1-CZ 4.48Å; L69-F98 WeakPolarHBondContact O-CA 3.45Å; H70-F98 AromaticContact ND1-CE1 3.95Å; I96-F98 HydrophobicContact CD1-CE1 3.97Å; I96-F98 HydrophobicContact CD1-CZ 4.38Å; I96-F98 HydrophobicContact CG1-CE1 4.26Å; I96-F98 HydrophobicContact CG2-CD1 4.31Å; I96-F98 HydrophobicContact CG2-CD2 4.01Å; I96-F98 HydrophobicContact CG2-CE1 3.86Å; I96-F98 HydrophobicContact CG2-CE2 3.52Å; I96-F98 HydrophobicContact CG2-CG 4.38Å; I96-F98 HydrophobicContact CG2-CZ 3.44Å; I96-F98 VanDerWaalsContact CG2-CZ 3.44Å; F98-C105 WeakPolarHBondContact O-CA 3.32Å; F98-F106 HydrophobicContact CB-CD1 4.43Å; F98-F106 HydrophobicContact CB-CE1 3.81Å; F98-F106 HydrophobicContact CB-CE2 4.07Å; F98-F106 HydrophobicContact CB-CZ 3.61Å; F98-F106 HydrophobicContact CD2-CE2 4.38Å; F98-F106 HydrophobicContact CD2-CZ 4.37Å; F98-F106 HydrophobicContact CG-CZ 4.49Å; F98-F106 PolarHBondContact N-O 3.43Å; F98-F106 WeakPolarHBondContact O-CD1 3.37Å; F98-F106 PolarHBondContact O-N 2.8Å; F98-C108 HydrophobicContact CD2-CB 3.78Å; F98-C108 HydrophobicContact CE2-CB 4.3Å; F98-V110 HydrophobicContact CE2-CG2 3.47Å; F98-V110 VanDerWaalsContact CE2-CG2 3.47Å; F98-V110 HydrophobicContact CZ-CG2 3.79Å; F98-F129 AromaticContact CE2-CD1 3.88Å; F98-F129 HydrophobicContact CE2-CD1 3.88Å; F98-F129 AromaticContact CE2-CE1 3.71Å; F98-F129 HydrophobicContact CE2-CE1 3.71Å; F98-F129 HydrophobicContact CZ-CE1 4.23Å |
| 99 | Y | 91.6 | Very high | 90.1 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 16% | 0.161 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 140.2 | 175.4 | -73.8 | -101.6 | 0 | 0 | 0 | 110.5 | L69 G71 R73 S104 C105 | L69-Y99 PolarHBondContact O-N 2.87Å; G71-Y99 VanDerWaalsContact C-CE2 3.48Å; G71-Y99 VanDerWaalsContact CA-CD2 3.46Å; G71-Y99 VanDerWaalsContact CA-CE2 3.5Å; R73-Y99 HydrophobicContact CB-CE2 4.22Å; R73-Y99 WeakPolarHBondContact CB-OH 3.21Å; R73-Y99 WeakPolarHBondContact CG-OH 3.21Å; R73-Y99 PolarHBondContact N-OH 3.24Å; Y99-S104 WeakPolarHBondContact CA-O 3.18Å; Y99-C105 HydrophobicContact CD1-CB 4.19Å; Y99-C105 HydrophobicContact CE1-CB 3.82Å; Y99-C105 HydrophobicContact CE2-CB 4.48Å |
| 100 | R | 92.6 | Very high | 90.5 | Very high | 85 Ų | 85 | 53.4 Ų | 53.4 | 32% | 0.321 | 27% | 0.269 | S | S | . | . | trans | -84.6 | 165.7 | 168.5 | -67.8 | -162 | -172.6 | 126.6 | -0.7 | 111.4 | L51 C52 D102 G103 S104 F106 | L51-R100 VanDerWaalsContact O-CD 3.31Å; L51-R100 WeakPolarHBondContact O-CD 3.46Å; L51-R100 WeakPolarHBondContact O-CG 3.45Å; L51-R100 PolarHBondContact O-NE 3.48Å; C52-R100 CarbonylContact O-C 3.53Å; C52-R100 VanDerWaalsContact O-CA 3.25Å; C52-R100 WeakPolarHBondContact O-CA 3.42Å; C52-R100 WeakPolarHBondContact O-CB 3.29Å; R100-D102 WeakPolarHBondContact CB-OD1 3.42Å; R100-D102 PolarHBondContact O-N 3.1Å; R100-G103 PolarHBondContact O-N 2.9Å; R100-S104 WeakPolarHBondContact CD-OG 3.28Å; R100-S104 PolarHBondContact N-O 2.84Å; R100-S104 PolarHBondContact NH1-OG 2.92Å; R100-F106 HydrophobicContact CG-CD1 3.74Å; R100-F106 HydrophobicContact CG-CE1 3.59Å | ||
| 101 | K | 91.2 | Very high | 90.9 | Very high | 105 Ų | 105 | 49.9 Ų | 49.9 | 46% | 0.457 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.6 | 173.3 | -162.7 | 176.1 | -170.8 | 175.9 | 0 | 114.3 | C52 G53 Y54 E58 G103 | C52-K101 PolarHBondContact O-N 2.88Å; G53-K101 WeakPolarHBondContact O-CD 3.45Å; Y54-K101 HydrophobicContact CD1-CB 4.46Å; Y54-K101 HydrophobicContact CD1-CD 3.98Å; Y54-K101 HydrophobicContact CD1-CG 4.25Å; Y54-K101 HydrophobicContact CD2-CB 4.1Å; Y54-K101 HydrophobicContact CE1-CB 4.24Å; Y54-K101 HydrophobicContact CE1-CD 4.17Å; Y54-K101 HydrophobicContact CE1-CG 3.97Å; Y54-K101 HydrophobicContact CE2-CB 3.85Å; Y54-K101 HydrophobicContact CE2-CG 4.48Å; Y54-K101 HydrophobicContact CG-CB 4.39Å; Y54-K101 HydrophobicContact CG-CD 4.33Å; E58-K101 WeakPolarHBondContact OE1-CE 3.4Å; E58-K101 IonicContact OE1-NZ 2.78Å; E58-K101 PolarHBondContact OE1-NZ 3.24Å; E58-K101 IonicContact OE2-NZ 2.72Å; E58-K101 PolarHBondContact OE2-NZ 2.92Å; K101-G103 VanDerWaalsContact C-N 3.3Å |
| 102 | D | 89.3 | Confident | 91.1 | Very high | 117 Ų | 117 | 45.4 Ų | 45.4 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0 | 173.6 | 67.5 | 2.4 | 0 | 0 | 0 | 113.7 | R100 S104 | R100-D102 WeakPolarHBondContact CB-OD1 3.42Å; R100-D102 PolarHBondContact O-N 3.1Å; D102-S104 VanDerWaalsContact C-N 3.33Å; D102-S104 WeakPolarHBondContact OD1-CB 3.28Å; D102-S104 PolarHBondContact OD1-N 3.16Å; D102-S104 PolarHBondContact OD1-OG 3.41Å; D102-S104 PolarHBondContact OD2-OG 2.83Å |
| 103 | G | 84.1 | Confident | 91.1 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 53% | 0.526 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 84.2 | -3.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R100 K101 | R100-G103 PolarHBondContact O-N 2.9Å; K101-G103 VanDerWaalsContact C-N 3.3Å |
| 104 | S | 89.6 | Confident | 91 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | trans | -70.4 | 134.7 | 177.4 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | Y99 R100 D102 | Y99-S104 WeakPolarHBondContact CA-O 3.18Å; R100-S104 WeakPolarHBondContact CD-OG 3.28Å; R100-S104 PolarHBondContact N-O 2.84Å; R100-S104 PolarHBondContact NH1-OG 2.92Å; D102-S104 VanDerWaalsContact C-N 3.33Å; D102-S104 WeakPolarHBondContact OD1-CB 3.28Å; D102-S104 PolarHBondContact OD1-N 3.16Å; D102-S104 PolarHBondContact OD1-OG 3.41Å; D102-S104 PolarHBondContact OD2-OG 2.83Å | ||
| 105 | C | 89.3 | Confident | 90.7 | Very high | 46 Ų | 46 | 40 Ų | 40 | 31% | 0.311 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 134.4 | 179 | -175.6 | 0 | 0 | 0 | 0 | 110 | F98 Y99 | F98-C105 WeakPolarHBondContact O-CA 3.32Å; Y99-C105 HydrophobicContact CD1-CB 4.19Å; Y99-C105 HydrophobicContact CE1-CB 3.82Å; Y99-C105 HydrophobicContact CE2-CB 4.48Å |
| 106 | F | 90.6 | Very high | 90.3 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.7 | 175.3 | 65.2 | -80 | 0 | 0 | 0 | 111.3 | L51 A97 F98 R100 C108 V131 | L51-F106 HydrophobicContact CD1-CD2 4.03Å; L51-F106 HydrophobicContact CD1-CE2 3.66Å; L51-F106 HydrophobicContact CD1-CZ 4.1Å; L51-F106 HydrophobicContact CD2-CE2 4.06Å; L51-F106 HydrophobicContact CD2-CZ 4.46Å; L51-F106 HydrophobicContact CG-CE2 3.8Å; L51-F106 HydrophobicContact CG-CZ 3.92Å; A97-F106 WeakPolarHBondContact CA-O 3.3Å; F98-F106 HydrophobicContact CB-CD1 4.43Å; F98-F106 HydrophobicContact CB-CE1 3.81Å; F98-F106 HydrophobicContact CB-CE2 4.07Å; F98-F106 HydrophobicContact CB-CZ 3.61Å; F98-F106 HydrophobicContact CD2-CE2 4.38Å; F98-F106 HydrophobicContact CD2-CZ 4.37Å; F98-F106 HydrophobicContact CG-CZ 4.49Å; F98-F106 PolarHBondContact N-O 3.43Å; F98-F106 WeakPolarHBondContact O-CD1 3.37Å; F98-F106 PolarHBondContact O-N 2.8Å; R100-F106 HydrophobicContact CG-CD1 3.74Å; R100-F106 HydrophobicContact CG-CE1 3.59Å; F106-C108 HydrophobicContact CD2-CB 4.02Å; F106-C108 HydrophobicContact CE2-CB 3.81Å; F106-V131 HydrophobicContact CD2-CG2 4.45Å |
| 107 | L | 90.8 | Very high | 89.6 | Confident | 57 Ų | 57 | 39.6 Ų | 39.6 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 127.7 | 176.7 | -169.5 | 59.9 | 0 | 0 | 0 | 109.4 | E95 V132 | E95-L107 HydrophobicContact CG-CD1 3.82Å; E95-L107 HydrophobicContact CG-CG 4.17Å; E95-L107 WeakPolarHBondContact OE1-CD2 3.44Å; L107-V132 HydrophobicContact CB-CB 4.29Å; L107-V132 HydrophobicContact CD2-CB 4.03Å; L107-V132 HydrophobicContact CD2-CG1 4.05Å; L107-V132 HydrophobicContact CG-CB 4Å; L107-V132 HydrophobicContact CG-CG2 4.39Å; L107-V132 PolarHBondContact O-N 2.6Å |
| 108 | C | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.3 | -173.1 | -166.6 | 0 | 0 | 0 | 0 | 111.5 | I96 F98 F106 E130 | I96-C108 PolarHBondContact N-O 3.2Å; I96-C108 PolarHBondContact O-N 3.01Å; I96-C108 VanDerWaalsContact O-O 3.11Å; F98-C108 HydrophobicContact CD2-CB 3.78Å; F98-C108 HydrophobicContact CE2-CB 4.3Å; F106-C108 HydrophobicContact CD2-CB 4.02Å; F106-C108 HydrophobicContact CE2-CB 3.81Å; C108-E130 CarbonylContact C-O 3.55Å; C108-E130 VanDerWaalsContact CA-O 3.29Å; C108-E130 WeakPolarHBondContact CA-O 3.47Å; C108-E130 PolarHBondContact SG-O 2.73Å |
| 109 | L | 93.3 | Very high | 87.8 | Confident | 52 Ų | 52 | 47.7 Ų | 47.7 | 27% | 0.272 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.1 | 166.8 | -173.1 | 66.6 | 0 | 0 | 0 | 108.4 | K93 E95 E130 V132 | K93-L109 HydrophobicContact CB-CD1 4.16Å; E95-L109 HydrophobicContact CB-CD1 4.26Å; L109-E130 HydrophobicContact CB-CB 4.47Å; L109-E130 PolarHBondContact N-O 3.46Å; L109-E130 PolarHBondContact O-N 3.31Å; L109-V132 HydrophobicContact CB-CG2 4.2Å |
| 110 | V | 92.9 | Very high | 87 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.6 | 174.1 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | I82 K93 V94 I96 F98 V112 L127 F129 | I82-V110 HydrophobicContact CD1-CB 4.31Å; I82-V110 HydrophobicContact CD1-CG1 4.42Å; I82-V110 HydrophobicContact CD1-CG2 4.26Å; K93-V110 CarbonylContact C-O 3.56Å; K93-V110 VanDerWaalsContact CA-O 3.32Å; K93-V110 WeakPolarHBondContact CA-O 3.41Å; V94-V110 PolarHBondContact N-O 3.32Å; V94-V110 PolarHBondContact O-N 3.49Å; I96-V110 HydrophobicContact CG2-CG2 3.67Å; F98-V110 HydrophobicContact CE2-CG2 3.47Å; F98-V110 VanDerWaalsContact CE2-CG2 3.47Å; F98-V110 HydrophobicContact CZ-CG2 3.79Å; V110-V112 HydrophobicContact CG1-CG2 3.92Å; V110-L127 HydrophobicContact CG1-CB 4.44Å; V110-L127 HydrophobicContact CG1-CD2 4.12Å; V110-F129 HydrophobicContact CG1-CE1 4.3Å; V110-F129 HydrophobicContact CG2-CD1 3.9Å; V110-F129 HydrophobicContact CG2-CE1 3.84Å |
| 111 | D | 92.8 | Very high | 86.5 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 99.8 | 177.9 | -169.3 | 6.8 | 0 | 0 | 0 | 108.9 | K93 L127 N128 | K93-D111 HydrophobicContact CG-CB 4.39Å; K93-D111 WeakPolarHBondContact CG-OD1 3.36Å; K93-D111 IonicContact NZ-OD1 3.66Å; K93-D111 PolarHBondContact NZ-OD1 3.1Å; K93-D111 IonicContact NZ-OD2 3.66Å; K93-D111 PolarHBondContact NZ-OD2 3.29Å; D111-L127 WeakPolarHBondContact O-CA 3.45Å; D111-N128 HydrophobicContact CB-CB 4.22Å; D111-N128 PolarHBondContact N-O 2.75Å; D111-N128 PolarHBondContact O-N 3.05Å |
| 112 | V | 91.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 114.1 | -177.9 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | I82 A85 L86 E91 R92 V110 F125 L127 | I82-V112 HydrophobicContact CG2-CG2 4.41Å; A85-V112 HydrophobicContact CB-CB 4.45Å; A85-V112 HydrophobicContact CB-CG1 4.36Å; L86-V112 HydrophobicContact CD2-CG1 3.93Å; L86-V112 HydrophobicContact CG-CG1 4.49Å; E91-V112 WeakPolarHBondContact CA-O 3.21Å; R92-V112 PolarHBondContact N-O 2.93Å; R92-V112 VanDerWaalsContact N-O 3.12Å; R92-V112 PolarHBondContact O-N 3.27Å; V110-V112 HydrophobicContact CG1-CG2 3.92Å; V112-F125 HydrophobicContact CG1-CD1 4.39Å; V112-L127 HydrophobicContact CG1-CG 4.47Å; V112-L127 HydrophobicContact CG2-CD2 4.31Å; V112-L127 HydrophobicContact CG2-CG 4.26Å |
| 113 | V | 90 | Very high | 85.8 | Confident | 31 Ų | 31 | 38 Ų | 38 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 109.4 | -176.3 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | E91 I126 | E91-V113 HydrophobicContact CG-CG2 4.38Å; V113-I126 HydrophobicContact CB-CB 4.46Å; V113-I126 PolarHBondContact N-O 3.15Å; V113-I126 PolarHBondContact O-N 2.95Å |
| 114 | P | 89.8 | Confident | 86.1 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 14% | 0.143 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127.6 | 177.5 | 30.3 | -33.1 | 0 | 0 | 0 | 112.3 | V122 F125 | P114-V122 HydrophobicContact CB-CG1 4.17Å; P114-V122 HydrophobicContact CB-CG2 4.07Å; P114-F125 HydrophobicContact CB-CD1 3.95Å; P114-F125 HydrophobicContact CB-CE1 3.86Å |
| 115 | V | 85.4 | Confident | 86.1 | Confident | 26 Ų | 26 | 34.8 Ų | 34.8 | 16% | 0.158 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117.9 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | V122 I123 M124 I126 L385 | V115-V122 WeakPolarHBondContact O-CA 3.34Å; V115-I123 PolarHBondContact O-N 3.18Å; V115-M124 HydrophobicContact CB-CB 4.25Å; V115-M124 HydrophobicContact CG2-CB 4.44Å; V115-M124 PolarHBondContact N-O 3.44Å; V115-I126 HydrophobicContact CG2-CD1 3.68Å; V115-I126 HydrophobicContact CG2-CG1 3.93Å; V115-L385 HydrophobicContact CG1-CD1 4.2Å |
| 116 | K | 83.4 | Confident | 86.3 | Confident | 94 Ų | 94 | 33.1 Ų | 33.1 | 41% | 0.409 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 147.5 | -175.1 | -68.5 | 174.1 | -177.7 | 176.3 | 0 | 112 | A89 G120 A121 V122 L385 | A89-K116 PolarHBondContact O-NZ 3.02Å; K116-G120 WeakPolarHBondContact CD-O 3.42Å; K116-G120 WeakPolarHBondContact CG-O 3.47Å; K116-A121 CarbonylContact C-O 3.55Å; K116-A121 WeakPolarHBondContact CA-O 3.22Å; K116-V122 HydrophobicContact CD-CG2 4.36Å; K116-V122 HydrophobicContact CG-CG2 3.76Å; K116-L385 WeakPolarHBondContact O-CD1 3.12Å |
| 117 | N | 78.9 | Confident | 86.4 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | trans | -75.3 | 173.5 | 177 | -149.3 | 52.6 | 0 | 0 | 0 | 112.2 | D119 G120 A121 I123 L385 | N117-D119 PolarHBondContact ND2-OD2 3.41Å; N117-D119 PolarHBondContact O-N 3.46Å; N117-G120 PolarHBondContact O-N 2.78Å; N117-A121 PolarHBondContact N-O 3.32Å; N117-I123 HydrophobicContact CB-CD1 3.85Å; N117-I123 HydrophobicContact CB-CG1 4.25Å; N117-I123 WeakPolarHBondContact OD1-CD1 3.3Å; N117-L385 PolarHBondContact ND2-O 3.12Å; N117-L385 WeakPolarHBondContact OD1-CB 3.21Å; N117-L385 PolarHBondContact OD1-O 3.16Å; N117-L385 VanDerWaalsContact OD1-O 3.12Å | ||
| 118 | E | 71.9 | Confident | 86.5 | Confident | 75 Ų | 75 | 30 Ų | 30 | 35% | 0.35 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -36.7 | 162.8 | -76.6 | 173.7 | -160.4 | 0 | 0 | 112 | G120 L385 R394 | E118-G120 PolarHBondContact O-N 2.89Å; E118-L385 WeakPolarHBondContact CG-O 3.42Å; E118-R394 IonicContact OE1-NH1 2.65Å; E118-R394 IonicContact OE2-CZ 3.12Å; E118-R394 IonicContact OE2-NH1 3.01Å; E118-R394 PolarHBondContact OE2-NH1 3.34Å; E118-R394 IonicContact OE2-NH2 2.63Å |
| 119 | D | 74.9 | Confident | 86.5 | Confident | 112 Ų | 112 | 30.2 Ų | 30.2 | 60% | 0.599 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 7.9 | 177.1 | -40 | -72.9 | 0 | 0 | 0 | 114.1 | N117 A121 | N117-D119 PolarHBondContact ND2-OD2 3.41Å; N117-D119 PolarHBondContact O-N 3.46Å; D119-A121 PolarHBondContact O-N 2.96Å; D119-A121 VanDerWaalsContact O-N 3.07Å |
| 120 | G | 74.6 | Confident | 86.4 | Confident | 45 Ų | 45 | 33.7 Ų | 33.7 | 46% | 0.464 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 73.9 | -12.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K116 N117 E118 | K116-G120 WeakPolarHBondContact CD-O 3.42Å; K116-G120 WeakPolarHBondContact CG-O 3.47Å; N117-G120 PolarHBondContact O-N 2.78Å; E118-G120 PolarHBondContact O-N 2.89Å |
| 121 | A | 81.3 | Confident | 86.1 | Confident | 51 Ų | 51 | 36.5 Ų | 36.5 | 42% | 0.421 | 21% | 0.207 | S | C | . | . | trans | -69 | 136.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | K116 N117 D119 | K116-A121 CarbonylContact C-O 3.55Å; K116-A121 WeakPolarHBondContact CA-O 3.22Å; N117-A121 PolarHBondContact N-O 3.32Å; D119-A121 PolarHBondContact O-N 2.96Å; D119-A121 VanDerWaalsContact O-N 3.07Å | ||
| 122 | V | 83.1 | Confident | 85.6 | Confident | 29 Ų | 29 | 37.9 Ų | 37.9 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 137.6 | 175.1 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | A34 A89 P114 V115 K116 F125 | A34-V122 HydrophobicContact CB-CB 4.41Å; A34-V122 HydrophobicContact CB-CG1 3.71Å; A89-V122 HydrophobicContact CB-CG2 3.58Å; P114-V122 HydrophobicContact CB-CG1 4.17Å; P114-V122 HydrophobicContact CB-CG2 4.07Å; V115-V122 WeakPolarHBondContact O-CA 3.34Å; K116-V122 HydrophobicContact CD-CG2 4.36Å; K116-V122 HydrophobicContact CG-CG2 3.76Å; V122-F125 HydrophobicContact CG1-CE1 4.19Å; V122-F125 HydrophobicContact CG1-CE2 4.35Å; V122-F125 HydrophobicContact CG1-CZ 4.03Å |
| 123 | I | 83.9 | Confident | 84.1 | Confident | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | -38.2 | 173.8 | -54.9 | -169 | 0 | 0 | 0 | 111.3 | N33 A34 V115 N117 | N33-I123 PolarHBondContact OD1-O 2.93Å; A34-I123 WeakPolarHBondContact CB-O 3.49Å; A34-I123 PolarHBondContact N-O 3.13Å; V115-I123 PolarHBondContact O-N 3.18Å; N117-I123 HydrophobicContact CB-CD1 3.85Å; N117-I123 HydrophobicContact CB-CG1 4.25Å; N117-I123 WeakPolarHBondContact OD1-CD1 3.3Å |
| 124 | M | 88.6 | Confident | 82.1 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.069 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 154.5 | -176.3 | -59.9 | -70 | 172.6 | 0 | 0 | 111 | F14 L15 I31 A32 N33 I42 V115 | F14-M124 HydrophobicContact CE2-CG 4.45Å; L15-M124 HydrophobicContact CD1-CE 4.37Å; L15-M124 HydrophobicContact CD2-CG 4.16Å; I31-M124 HydrophobicContact CG2-CB 4.21Å; I31-M124 HydrophobicContact CG2-CG 4.41Å; I31-M124 HydrophobicContact CG2-SD 4.25Å; A32-M124 CarbonylContact O-C 3.59Å; A32-M124 VanDerWaalsContact O-CA 3.27Å; A32-M124 WeakPolarHBondContact O-CA 3.3Å; N33-M124 HydrophobicContact CB-CE 4.49Å; N33-M124 HydrophobicContact CB-SD 4.04Å; I42-M124 HydrophobicContact CD1-CE 3.78Å; I42-M124 HydrophobicContact CD1-SD 3.59Å; I42-M124 VanDerWaalsContact CD1-SD 3.59Å; V115-M124 HydrophobicContact CB-CB 4.25Å; V115-M124 HydrophobicContact CG2-CB 4.44Å; V115-M124 PolarHBondContact N-O 3.44Å |
| 125 | F | 90.9 | Very high | 79.6 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.6 | 162.4 | -62.1 | -82.3 | 0 | 0 | 0 | 109.5 | I31 A32 A34 L86 V112 P114 V122 L127 | I31-F125 WeakPolarHBondContact CA-O 3.27Å; A32-F125 PolarHBondContact N-O 2.98Å; A32-F125 PolarHBondContact O-N 3.19Å; A34-F125 HydrophobicContact CB-CD2 3.83Å; A34-F125 HydrophobicContact CB-CE2 3.41Å; A34-F125 VanDerWaalsContact CB-CE2 3.41Å; A34-F125 HydrophobicContact CB-CZ 4.22Å; L86-F125 HydrophobicContact CD2-CB 4.04Å; L86-F125 HydrophobicContact CD2-CD1 3.7Å; L86-F125 HydrophobicContact CD2-CD2 3.88Å; L86-F125 HydrophobicContact CD2-CE1 4.07Å; L86-F125 HydrophobicContact CD2-CE2 4.25Å; L86-F125 HydrophobicContact CD2-CG 3.6Å; L86-F125 HydrophobicContact CD2-CZ 4.35Å; L86-F125 WeakPolarHBondContact O-CZ 3.36Å; V112-F125 HydrophobicContact CG1-CD1 4.39Å; P114-F125 HydrophobicContact CB-CD1 3.95Å; P114-F125 HydrophobicContact CB-CE1 3.86Å; V122-F125 HydrophobicContact CG1-CE1 4.19Å; V122-F125 HydrophobicContact CG1-CE2 4.35Å; V122-F125 HydrophobicContact CG1-CZ 4.03Å; F125-L127 HydrophobicContact CB-CD1 3.89Å |
| 126 | I | 92.3 | Very high | 77.2 | Confident | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.056 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.3 | 165.7 | -57.1 | 166.8 | 0 | 0 | 0 | 106.2 | I18 F22 F29 V113 V115 | I18-I126 HydrophobicContact CD1-CD1 4.36Å; I18-I126 HydrophobicContact CG2-CD1 3.75Å; F22-I126 HydrophobicContact CE1-CG2 4Å; F22-I126 HydrophobicContact CZ-CG2 4.32Å; F29-I126 HydrophobicContact CD2-CG2 4.36Å; V113-I126 HydrophobicContact CB-CB 4.46Å; V113-I126 PolarHBondContact N-O 3.15Å; V113-I126 PolarHBondContact O-N 2.95Å; V115-I126 HydrophobicContact CG2-CD1 3.68Å; V115-I126 HydrophobicContact CG2-CG1 3.93Å |
| 127 | L | 92.7 | Very high | 74.8 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 117.6 | 170.7 | -67.4 | 78.4 | 0 | 0 | 0 | 107.7 | F29 I30 C64 L86 V110 D111 V112 F125 F129 | F29-L127 WeakPolarHBondContact CA-O 3.32Å; F29-L127 WeakPolarHBondContact CB-O 3.21Å; I30-L127 HydrophobicContact CD1-CB 4.44Å; I30-L127 HydrophobicContact CG1-CB 4.02Å; I30-L127 HydrophobicContact CG1-CD1 4.45Å; I30-L127 PolarHBondContact N-O 3.03Å; I30-L127 PolarHBondContact O-N 3.06Å; C64-L127 HydrophobicContact CB-CD1 4.24Å; C64-L127 WeakPolarHBondContact O-CD2 3.26Å; L86-L127 HydrophobicContact CD2-CD1 4.41Å; V110-L127 HydrophobicContact CG1-CB 4.44Å; V110-L127 HydrophobicContact CG1-CD2 4.12Å; D111-L127 WeakPolarHBondContact O-CA 3.45Å; V112-L127 HydrophobicContact CG1-CG 4.47Å; V112-L127 HydrophobicContact CG2-CD2 4.31Å; V112-L127 HydrophobicContact CG2-CG 4.26Å; F125-L127 HydrophobicContact CB-CD1 3.89Å; L127-F129 HydrophobicContact CB-CE2 3.8Å; L127-F129 HydrophobicContact CB-CZ 3.98Å; L127-F129 HydrophobicContact CD2-CZ 4.47Å; L127-F129 WeakPolarHBondContact O-CD2 3.49Å; L127-F129 VanDerWaalsContact O-CE2 3.31Å; L127-F129 WeakPolarHBondContact O-CE2 3.43Å |
| 128 | N | 92.9 | Very high | 72.7 | Confident | 7 Ų | 7 | 77.2 Ų | 77.2 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.2 | 177.5 | 171.6 | 75.8 | 0 | 0 | 0 | 109.9 | R27 K28 F29 D111 | R27-N128 WeakPolarHBondContact CB-OD1 3.4Å; K28-N128 WeakPolarHBondContact O-CA 3.02Å; K28-N128 PolarHBondContact O-OD1 3.39Å; F29-N128 HydrophobicContact CB-CB 4.42Å; D111-N128 HydrophobicContact CB-CB 4.22Å; D111-N128 PolarHBondContact N-O 2.75Å; D111-N128 PolarHBondContact O-N 3.05Å |
| 129 | F | 91.9 | Very high | 70.8 | Confident | 6 Ų | 6 | 77 Ų | 77 | 3% | 0.026 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 109.4 | -168.9 | -63.8 | -94.7 | 0 | 0 | 0 | 110.1 | K28 I30 F48 L51 F98 V110 L127 | K28-F129 HydrophobicContact CB-CB 4.48Å; K28-F129 PolarHBondContact O-N 3.39Å; I30-F129 HydrophobicContact CD1-CE2 4.02Å; I30-F129 HydrophobicContact CD1-CZ 4.02Å; I30-F129 HydrophobicContact CG1-CE2 4.02Å; I30-F129 HydrophobicContact CG1-CZ 4.48Å; I30-F129 HydrophobicContact CG2-CE2 4.21Å; F48-F129 AromaticContact CD2-CD2 3.57Å; F48-F129 HydrophobicContact CD2-CD2 3.57Å; F48-F129 AromaticContact CD2-CE2 3.77Å; F48-F129 HydrophobicContact CD2-CE2 3.77Å; F48-F129 HydrophobicContact CD2-CG 4.05Å; F48-F129 HydrophobicContact CD2-CZ 4.39Å; F48-F129 HydrophobicContact CE2-CD1 4.16Å; F48-F129 AromaticContact CE2-CD2 3.66Å; F48-F129 HydrophobicContact CE2-CD2 3.66Å; F48-F129 AromaticContact CE2-CE1 3.99Å; F48-F129 HydrophobicContact CE2-CE1 3.99Å; F48-F129 AromaticContact CE2-CE2 3.47Å; F48-F129 HydrophobicContact CE2-CE2 3.47Å; F48-F129 VanDerWaalsContact CE2-CE2 3.47Å; F48-F129 HydrophobicContact CE2-CG 4.01Å; F48-F129 AromaticContact CE2-CZ 3.65Å; F48-F129 HydrophobicContact CE2-CZ 3.65Å; F48-F129 HydrophobicContact CZ-CE2 4.47Å; F48-F129 HydrophobicContact CZ-CZ 4.45Å; L51-F129 HydrophobicContact CD2-CB 3.78Å; F98-F129 AromaticContact CE2-CD1 3.88Å; F98-F129 HydrophobicContact CE2-CD1 3.88Å; F98-F129 AromaticContact CE2-CE1 3.71Å; F98-F129 HydrophobicContact CE2-CE1 3.71Å; F98-F129 HydrophobicContact CZ-CE1 4.23Å; V110-F129 HydrophobicContact CG1-CE1 4.3Å; V110-F129 HydrophobicContact CG2-CD1 3.9Å; V110-F129 HydrophobicContact CG2-CE1 3.84Å; L127-F129 HydrophobicContact CB-CE2 3.8Å; L127-F129 HydrophobicContact CB-CZ 3.98Å; L127-F129 HydrophobicContact CD2-CZ 4.47Å; L127-F129 WeakPolarHBondContact O-CD2 3.49Å; L127-F129 VanDerWaalsContact O-CE2 3.31Å; L127-F129 WeakPolarHBondContact O-CE2 3.43Å |
| 130 | E | 90.4 | Very high | 68.6 | Low | 125 Ų | 125 | 77.1 Ų | 77.1 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.2 | 177.6 | -167.4 | 163.8 | -179.8 | 0 | 0 | 109.9 | C108 L109 | C108-E130 CarbonylContact C-O 3.55Å; C108-E130 VanDerWaalsContact CA-O 3.29Å; C108-E130 WeakPolarHBondContact CA-O 3.47Å; C108-E130 PolarHBondContact SG-O 2.73Å; L109-E130 HydrophobicContact CB-CB 4.47Å; L109-E130 PolarHBondContact N-O 3.46Å; L109-E130 PolarHBondContact O-N 3.31Å |
| 131 | V | 87 | Confident | 67.3 | Low | 59 Ų | 59 | 81.2 Ų | 81.2 | 36% | 0.358 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.9 | -177.9 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | L51 F106 M133 | L51-V131 HydrophobicContact CD1-CG2 3.41Å; L51-V131 VanDerWaalsContact CD1-CG2 3.41Å; L51-V131 HydrophobicContact CD2-CG2 4.47Å; F106-V131 HydrophobicContact CD2-CG2 4.45Å; V131-M133 PolarHBondContact O-N 2.89Å |
| 132 | V | 82.2 | Confident | 64.9 | Low | 51 Ų | 51 | 83 Ų | 83 | 31% | 0.309 | 47% | 0.471 | S | S | . | . | trans | -82.6 | 109.4 | 179.5 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | L107 L109 E134 | L107-V132 HydrophobicContact CB-CB 4.29Å; L107-V132 HydrophobicContact CD2-CB 4.03Å; L107-V132 HydrophobicContact CD2-CG1 4.05Å; L107-V132 HydrophobicContact CG-CB 4Å; L107-V132 HydrophobicContact CG-CG2 4.39Å; L107-V132 PolarHBondContact O-N 2.6Å; L109-V132 HydrophobicContact CB-CG2 4.2Å; V132-E134 PolarHBondContact O-N 3.28Å | ||
| 133 | M | 59.7 | Low | 62.5 | Low | 169 Ų | 169 | 89.9 Ų | 89.9 | 83% | 0.833 | 50% | 0.501 | S | S | * | . | trans | -76.1 | 102.1 | 173.2 | -72.2 | -72.3 | -68.7 | 0 | 0 | 109.5 | V131 | V131-M133 PolarHBondContact O-N 2.89Š| ||
| 134 | E | 48.8 | Very low | 59.9 | Low | 167 Ų | 167 | 94.2 Ų | 94.2 | 78% | 0.78 | 52% | 0.524 | S | S | * | . | trans | -64.6 | 137.4 | 175.6 | -165.6 | 166.3 | -136.8 | 0 | 0 | 110.5 | V132 | V132-E134 PolarHBondContact O-N 3.28Š| ||
| 135 | K | 37.7 | Very low | 57.5 | Low | 188 Ų | 188 | 99 Ų | 99 | 82% | 0.817 | 55% | 0.554 | S | S | * | * | trans | -114.3 | 100.3 | -170.2 | -174.1 | -175.9 | 177.4 | -175.3 | 0 | 111.6 | ||||
| 136 | D | 34.3 | Very low | 54.9 | Low | 145 Ų | 145 | 104.1 Ų | 104.1 | 78% | 0.775 | 58% | 0.582 | S | S | * | * | trans | 37.1 | 99.6 | 164.3 | -58.4 | -34 | 0 | 0 | 0 | 117.6 | ||||
| 137 | M | 32.1 | Very low | 52.3 | Low | 199 Ų | 199 | 111 Ų | 111 | 98% | 0.98 | 61% | 0.614 | S | S | * | * | trans | -104.6 | 107.5 | 167 | -145.1 | 165.4 | 72.5 | 0 | 0 | 110 | ||||
| 138 | V | 36 | Very low | 49.3 | Very low | 138 Ų | 138 | 122.5 Ų | 122.5 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | trans | -120.6 | 131 | -174.9 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 139 | G | 30.9 | Very low | 46.1 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | trans | -162.7 | 14.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 140 | S | 28.9 | Very low | 44.1 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | trans | 61.1 | 174 | 160 | -64.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 141 | P | 47.3 | Very low | 42.1 | Very low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 73% | 0.729 | S | S | * | * | cis | -125.7 | 178.4 | -19.5 | 23.4 | 0.1 | 0 | 0 | 0 | 115.7 | ||||
| 142 | A | 31.5 | Very low | 39.3 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -74.9 | 168.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 143 | H | 32.6 | Very low | 37 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 154.8 | 149.9 | 139.6 | -89.9 | -70.6 | 0 | 0 | 0 | 111 | ||||
| 144 | D | 30.4 | Very low | 35.7 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 60% | 0.599 | 78% | 0.778 | S | S | * | * | cis | -169.2 | 134.8 | -30.8 | -131.2 | -5.4 | 0 | 0 | 0 | 113.8 | ||||
| 145 | T | 36.5 | Very low | 35 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 59.4 | 171 | 156.5 | 76.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 146 | N | 37.5 | Very low | 34.5 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | cis | -154.5 | 161.9 | 8.7 | -139.4 | -28.3 | 0 | 0 | 0 | 115 | ||||
| 147 | H | 36.4 | Very low | 34.4 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | 68.1 | 114.9 | 158.4 | -56.4 | -36.4 | 0 | 0 | 0 | 123.5 | ||||
| 148 | R | 29.5 | Very low | 34.2 | Very low | 243 Ų | 243 | 127.6 Ų | 127.6 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | 73.1 | 122 | 128 | -162.4 | 178.7 | -150.9 | 152.1 | 5 | 118.7 | |||||
| 149 | G | 26.7 | Very low | 33.9 | Very low | 61 Ų | 61 | 132.6 Ų | 132.6 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | 85.5 | 138.1 | 2.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 150 | P | 49.9 | Very low | 33.8 | Very low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | cis | -119.3 | -151.7 | 11 | 46.5 | -31.1 | 0 | 0 | 0 | 111.4 | ||||
| 151 | P | 47.3 | Very low | 34 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -132.8 | -177.8 | -6.4 | 42.2 | -23.7 | 0 | 0 | 0 | 118 | ||||
| 152 | T | 30.2 | Very low | 33.2 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 106 | 151.8 | 167.4 | 69.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 153 | S | 32 | Very low | 33.1 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | 64.7 | 146.9 | -160 | 74 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 154 | W | 32.3 | Very low | 33.1 | Very low | 233 Ų | 233 | 142.8 Ų | 142.8 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -129.1 | 148.7 | -162.9 | -93.7 | 20.2 | 0 | 0 | 0 | 112.5 | ||||
| 155 | L | 34.3 | Very low | 33.1 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 39.1 | 143.5 | 136.8 | -55.6 | 175.8 | 0 | 0 | 0 | 120.7 | ||||
| 156 | A | 28.4 | Very low | 32.6 | Very low | 94 Ų | 94 | 147 Ų | 147 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | cis | -168.1 | 175 | -10.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 157 | S | 31.7 | Very low | 32.3 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -97.6 | 151.1 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 158 | G | 27.9 | Very low | 32.6 | Very low | 79 Ų | 79 | 147.4 Ų | 147.4 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -145.4 | 32.8 | -165.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 159 | R | 29.5 | Very low | 32.4 | Very low | 242 Ų | 242 | 140.2 Ų | 140.2 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -26.5 | 123.7 | 173.1 | 179.9 | -164.6 | -161.9 | 177.9 | 7.8 | 118.3 | ||||
| 160 | A | 29.5 | Very low | 32.6 | Very low | 99 Ų | 99 | 145.5 Ų | 145.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -151.6 | 151.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 161 | K | 32.9 | Very low | 31.6 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -55.1 | 162.4 | 173.7 | -63.9 | 167.3 | -179.4 | 173.7 | 0 | 113.6 | ||||
| 162 | T | 30.6 | Very low | 30.6 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | cis | -173.9 | 171.9 | 5 | 16.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 163 | F | 29.8 | Very low | 30.5 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | 85.8 | 132.7 | 146.8 | -80.1 | -57.5 | 0 | 0 | 0 | 123 | ||||
| 164 | R | 32.1 | Very low | 30.2 | Very low | 216 Ų | 216 | 149.6 Ų | 149.6 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | 67.7 | 163.3 | 146.1 | -71.2 | 179.6 | 179.2 | -174.7 | 0.1 | 118.9 | ||||
| 165 | L | 30.3 | Very low | 29.9 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | -168.7 | 121.6 | -50.6 | -133.1 | 155.5 | 0 | 0 | 0 | 108.1 | |||||
| 166 | K | 26.4 | Very low | 29.4 | Very low | 175 Ų | 175 | 148 Ų | 148 | 76% | 0.761 | 82% | 0.819 | S | S | * | * | trans | 30.9 | 121 | 158.4 | -73.4 | 180 | 179.3 | -177.3 | 0 | 121.4 | ||||
| 167 | L | 29.9 | Very low | 29.4 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | trans | 65.8 | 165.6 | 142.5 | -80.7 | 78.1 | 0 | 0 | 0 | 117 | ||||
| 168 | P | 42.8 | Very low | 29.1 | Very low | 125 Ų | 125 | 152 Ų | 152 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | cis | -99.2 | -128.9 | -6.5 | 19.4 | 4 | 0 | 0 | 0 | 110.2 | ||||
| 169 | A | 26.8 | Very low | 29 | Very low | 92 Ų | 92 | 153.5 Ų | 153.5 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | cis | -155.8 | -171 | 1.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 170 | L | 29.2 | Very low | 29 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -76.6 | 144.7 | -173.1 | -66.7 | 157 | 0 | 0 | 0 | 114.5 | ||||
| 171 | L | 29.1 | Very low | 28.9 | Very low | 179 Ų | 179 | 154.7 Ų | 154.7 | 94% | 0.937 | 82% | 0.816 | S | S | * | * | trans | -134.2 | 137.5 | 149.9 | -103.1 | 174.1 | 0 | 0 | 0 | 109.3 | ||||
| 172 | A | 27.6 | Very low | 28.6 | Very low | 84 Ų | 84 | 151.4 Ų | 151.4 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | trans | -139.8 | 123.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 173 | L | 27.4 | Very low | 28.4 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | 52.8 | 117.2 | 161.7 | -57 | 172.1 | 0 | 0 | 0 | 118.1 | ||||
| 174 | T | 25.3 | Very low | 28.4 | Very low | 143 Ų | 143 | 145 Ų | 145 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | -164.4 | 158.4 | 106.7 | 14.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 175 | A | 26 | Very low | 28.2 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | 37.5 | 114.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 176 | R | 25.1 | Very low | 28.1 | Very low | 245 Ų | 245 | 137 Ų | 137 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | -148.7 | 132.1 | 120.3 | -143.2 | -175.3 | 170.7 | 142.1 | -0 | 112.1 | |||||
| 177 | E | 26.8 | Very low | 28.2 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | trans | -75.7 | 153.7 | 160.1 | -60.8 | 174.1 | 121.2 | 0 | 0 | 109.4 | ||||
| 178 | S | 26.3 | Very low | 28 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | trans | -140.6 | 101.3 | 174.7 | 63 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 179 | S | 25.4 | Very low | 27.2 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | trans | -96.4 | 125.9 | 166.1 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 180 | V | 29.1 | Very low | 27.3 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 78% | 0.782 | 85% | 0.845 | S | S | * | * | trans | 75.3 | 121.9 | 138.9 | 172.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 181 | R | 27.5 | Very low | 28 | Very low | 237 Ų | 237 | 125.5 Ų | 125.5 | 89% | 0.894 | 84% | 0.839 | S | S | * | * | trans | 98.7 | 121.3 | 147.2 | -133 | 168.4 | 179.9 | 113.6 | -4.4 | 118.9 | ||||
| 182 | S | 26.9 | Very low | 27.8 | Very low | 125 Ų | 125 | 121 Ų | 121 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -119.1 | 154.6 | 146.7 | -178 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 183 | G | 27.3 | Very low | 27.8 | Very low | 75 Ų | 75 | 122 Ų | 122 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | trans | 166.7 | 92.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 184 | G | 28.9 | Very low | 27.7 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 85% | 0.845 | S | S | * | * | trans | -106 | 172.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 185 | A | 28.8 | Very low | 27.7 | Very low | 114 Ų | 114 | 119.5 Ų | 119.5 | 94% | 0.942 | 84% | 0.836 | S | S | * | * | trans | 67.7 | 139.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 186 | G | 28.5 | Very low | 27.8 | Very low | 76 Ų | 76 | 121.5 Ų | 121.5 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | cis | 160.5 | 123.7 | -11 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 187 | G | 27.2 | Very low | 27.9 | Very low | 87 Ų | 87 | 116.2 Ų | 116.2 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | 83.7 | 144.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 188 | G | 26.6 | Very low | 27.8 | Very low | 85 Ų | 85 | 113.3 Ų | 113.3 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | cis | 165.6 | 127.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 189 | G | 25.3 | Very low | 27.8 | Very low | 85 Ų | 85 | 113.8 Ų | 113.8 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | 174 | 124.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 190 | A | 28.6 | Very low | 27.9 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -113.2 | 179.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 191 | P | 44.4 | Very low | 27.7 | Very low | 123 Ų | 123 | 114.9 Ų | 114.9 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | cis | -137.8 | 165.3 | 3.7 | 41 | -24 | 0 | 0 | 0 | 117 | ||||
| 192 | G | 24.6 | Very low | 28.3 | Very low | 84 Ų | 84 | 108.9 Ų | 108.9 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | 73.4 | 103.3 | 133.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 193 | A | 27.1 | Very low | 28.1 | Very low | 106 Ų | 106 | 108 Ų | 108 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -144.6 | 142.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 194 | V | 25.2 | Very low | 28.3 | Very low | 143 Ų | 143 | 108.7 Ų | 108.7 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -49.8 | 155.6 | -170.6 | 175.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 195 | V | 27.2 | Very low | 28.6 | Very low | 113 Ų | 113 | 110.6 Ų | 110.6 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | -87.8 | 143.7 | 176.4 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 196 | V | 27.2 | Very low | 28.4 | Very low | 142 Ų | 142 | 110.4 Ų | 110.4 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -143.1 | 131.3 | 154.2 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 197 | D | 26.1 | Very low | 28.4 | Very low | 133 Ų | 133 | 111.5 Ų | 111.5 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -91.2 | 178.4 | 175.5 | -81.3 | -75.3 | 0 | 0 | 0 | 112.7 | ||||
| 198 | V | 26.6 | Very low | 28.2 | Very low | 125 Ų | 125 | 116.6 Ų | 116.6 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | 162.2 | 102.7 | 135.1 | 159.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 199 | D | 25.1 | Very low | 28.2 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | 58 | 114.9 | 125.2 | -54 | -28.3 | 0 | 0 | 0 | 126.3 | |||||
| 200 | L | 27.6 | Very low | 28.2 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | 53.8 | 130.9 | 115.9 | -84 | 77.4 | 0 | 0 | 0 | 124.5 | |||||
| 201 | T | 24.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | 72.2 | 173.1 | 138.3 | 65.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 202 | P | 41.5 | Very low | 27.2 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -134.5 | 166.7 | -1.8 | 30.3 | -8 | 0 | 0 | 0 | 118.2 | ||||
| 203 | A | 22.4 | Very low | 27.3 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | 56.6 | 164.2 | 138.1 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 204 | A | 31.1 | Very low | 27.3 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -136.1 | 158.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 205 | P | 34.3 | Very low | 27.3 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -107.5 | 147.3 | 146.5 | -1.2 | 23 | 0 | 0 | 0 | 109.5 | ||||
| 206 | S | 25.9 | Very low | 27.2 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | 66.8 | 142.6 | 51.4 | 100.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 207 | S | 27.4 | Very low | 27.1 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | cis | -158.8 | 167.2 | -0.1 | 28.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 208 | E | 23.8 | Very low | 27 | Very low | 194 Ų | 194 | 125.1 Ų | 125.1 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | -149 | 179.2 | 74.1 | -75.1 | -168.7 | 134 | 0 | 0 | 113.2 | |||||
| 209 | S | 25.3 | Very low | 26.9 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -150.9 | -173.5 | -157.2 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 210 | L | 26.2 | Very low | 27 | Very low | 169 Ų | 169 | 127 Ų | 127 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | trans | 87.1 | 142.5 | -179.1 | -52.7 | 168.5 | 0 | 0 | 0 | 113.7 | ||||
| 211 | A | 25.7 | Very low | 27 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | 175.1 | 169.8 | -10.4 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 212 | L | 27 | Very low | 27.2 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | cis | -155.4 | 147.3 | 3.4 | -158.4 | 80.1 | 0 | 0 | 0 | 110.2 | ||||
| 213 | D | 25.4 | Very low | 26.5 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | trans | 45.5 | 149.2 | 145.7 | -76.4 | -35.6 | 0 | 0 | 0 | 128.3 | ||||
| 214 | E | 26.8 | Very low | 26.6 | Very low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 68.8 | 151.6 | 145.4 | -79.1 | -170.4 | 140.5 | 0 | 0 | 121.8 | ||||
| 215 | V | 25.9 | Very low | 26.4 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 65% | 0.648 | 78% | 0.783 | S | S | * | * | cis | -138.6 | 149.5 | 7.6 | -145.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 216 | T | 25.6 | Very low | 25.9 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | 40.7 | 128.9 | 155.1 | 47.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 217 | A | 24.9 | Very low | 26.8 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | 59.7 | 144 | 60.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 218 | M | 24.2 | Very low | 26.8 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 80% | 0.803 | 79% | 0.787 | S | S | * | * | cis | -159.6 | 155.6 | 18.9 | -175.8 | 141.1 | 56.2 | 0 | 0 | 109.7 | ||||
| 219 | D | 24 | Very low | 27 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | -163.2 | 155.9 | 124.7 | -121 | -20 | 0 | 0 | 0 | 113.1 | |||||
| 220 | N | 28.2 | Very low | 27 | Very low | 132 Ų | 132 | 132 Ų | 132 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -145.7 | 166.2 | -169.7 | -141.1 | -19.3 | 0 | 0 | 0 | 113.2 | ||||
| 221 | H | 27.2 | Very low | 27 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -48.2 | 153.9 | -175.7 | -59 | -84.5 | 0 | 0 | 0 | 117.3 | ||||
| 222 | V | 27.5 | Very low | 27.1 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 95% | 0.945 | 78% | 0.777 | S | S | * | * | trans | -153.2 | 164.3 | 131.2 | 126.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 223 | A | 27.4 | Very low | 27.1 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -123.3 | 168.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 224 | G | 25.3 | Very low | 27.3 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 168.1 | 111.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 225 | L | 26.9 | Very low | 27.5 | Very low | 185 Ų | 185 | 135 Ų | 135 | 97% | 0.969 | 78% | 0.779 | S | S | * | * | trans | 27.1 | 140.4 | 139.6 | -63.2 | 157.8 | 0 | 0 | 0 | 122.2 | ||||
| 226 | G | 22.8 | Very low | 27.7 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -91 | -156.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 227 | P | 45.2 | Very low | 28.9 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | cis | -138.3 | -175.1 | 7.7 | 44.1 | -25.8 | 0 | 0 | 0 | 116.3 | ||||
| 228 | A | 26.7 | Very low | 28.9 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | 41.2 | 123.5 | 148 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 229 | E | 28.3 | Very low | 29.4 | Very low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 79.1 | 138.9 | 137.8 | -67.4 | -170.3 | 129.8 | 0 | 0 | 125.8 | ||||
| 230 | E | 26.1 | Very low | 31.2 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | trans | 59.7 | 111.9 | 155.2 | -67.5 | -125.5 | 120 | 0 | 0 | 125.7 | ||||
| 231 | R | 25.9 | Very low | 32.7 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 64% | 0.638 | 79% | 0.785 | S | S | * | * | 79.6 | 123.2 | 128.7 | -68 | -175.5 | -171.7 | -176.9 | 18.5 | 124.9 | |||||
| 232 | R | 28.3 | Very low | 33 | Very low | 223 Ų | 223 | 130.5 Ų | 130.5 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | 70 | 145.3 | 137.4 | -71.2 | 177.1 | 176 | 171.3 | -1.8 | 118.3 | ||||
| 233 | A | 27 | Very low | 33.1 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | cis | -155.7 | -142.8 | -10.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 234 | L | 29.8 | Very low | 33.3 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | cis | -168 | 155.8 | 4.3 | -137.5 | -176.8 | 0 | 0 | 0 | 109.4 | ||||
| 235 | V | 29.9 | Very low | 34.4 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | 67.7 | 143 | 172.8 | -165.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 236 | G | 29.8 | Very low | 34.4 | Very low | 67 Ų | 67 | 125.2 Ų | 125.2 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | cis | 124 | 165.4 | 1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 237 | P | 51.8 | Low | 35.6 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | cis | -133.2 | 178 | -7.1 | 42.7 | -26.2 | 0 | 0 | 0 | 115.5 | ||||
| 238 | G | 24.9 | Very low | 35.1 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 169.6 | 140.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 239 | S | 33.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -171.7 | -175.3 | -167.9 | 72.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 240 | P | 63.3 | Low | 35.6 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | cis | -118.3 | -134.1 | -28.4 | 40.2 | -24.1 | 0 | 0 | 0 | 108.2 | ||||
| 241 | P | 58 | Low | 37.1 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | cis | -106.9 | -145.6 | -48 | 42.6 | -27.8 | 0 | 0 | 0 | 108.8 | ||||
| 242 | R | 34.2 | Very low | 37.1 | Very low | 237 Ų | 237 | 129.5 Ų | 129.5 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | cis | -162.8 | 169.5 | -23.5 | -124.7 | 168.4 | -172.2 | 170.5 | 2.5 | 105.2 | ||||
| 243 | S | 29 | Very low | 37 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | cis | -146.7 | -126.7 | 1.2 | 61 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 244 | A | 32.3 | Very low | 36.9 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -168.1 | -176.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 245 | P | 49.4 | Very low | 36.8 | Very low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | cis | -134.7 | -167.2 | -1.6 | 40.2 | -19.1 | 0 | 0 | 0 | 116 | ||||
| 246 | G | 25.9 | Very low | 36.7 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -92.6 | -155.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 247 | P | 47.2 | Very low | 36.8 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | cis | -140.4 | -150.1 | 16.1 | 45.1 | -23.5 | 0 | 0 | 0 | 116.3 | ||||
| 248 | L | 35.7 | Very low | 36.4 | Very low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -56.5 | 160.3 | 173.1 | -73 | 163 | 0 | 0 | 0 | 114.5 | ||||
| 249 | P | 38 | Very low | 36.5 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | cis | -151.6 | -136 | 45.7 | 44.9 | -21.1 | 0 | 0 | 0 | 116.6 | ||||
| 250 | S | 27.8 | Very low | 36.2 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -129.6 | -173.2 | -179.2 | 72.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 251 | P | 57 | Low | 34.4 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -132.7 | -157.3 | -20 | 36.1 | -14.1 | 0 | 0 | 0 | 113.3 | ||||
| 252 | R | 26.1 | Very low | 33 | Very low | 234 Ų | 234 | 128.9 Ų | 128.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 88.9 | 113.2 | 159 | -77.4 | 180 | 171.6 | 165.3 | -2.9 | 122.7 | ||||
| 253 | A | 26.2 | Very low | 32.7 | Very low | 78 Ų | 78 | 122.6 Ų | 122.6 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | 66.7 | 157.9 | 113.5 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 254 | H | 25.4 | Very low | 32.8 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | 69.6 | 106.3 | 174.7 | -60.2 | -72.5 | 0 | 0 | 0 | 116.1 | ||||
| 255 | S | 27.8 | Very low | 32.5 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | 84.7 | 118.1 | 52.9 | 74 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 256 | L | 26.5 | Very low | 31.5 | Very low | 171 Ų | 171 | 121.9 Ų | 121.9 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -166.2 | 125 | 148.8 | -106 | 163 | 0 | 0 | 0 | 110.5 | ||||
| 257 | N | 31.7 | Very low | 31.7 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -92.5 | 157.1 | 157 | -112.9 | 17.7 | 0 | 0 | 0 | 106.9 | ||||
| 258 | P | 43.6 | Very low | 30.7 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | -153.5 | 158.2 | 95.2 | 39.7 | -21.3 | 0 | 0 | 0 | 117.1 | |||||
| 259 | D | 26.9 | Very low | 30.4 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | 51.6 | 146.7 | 130.9 | -56.6 | -11.7 | 0 | 0 | 0 | 123.1 | ||||
| 260 | A | 27.9 | Very low | 29.7 | Very low | 79 Ų | 79 | 129 Ų | 129 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | cis | -165.5 | 157 | -13.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 261 | S | 26.8 | Very low | 29.7 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 50.4 | 122 | 143.7 | 64.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 262 | G | 27.8 | Very low | 28.4 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 123 | 151.4 | 137.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 263 | S | 28.5 | Very low | 28.6 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -171.5 | 133.3 | -26 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 264 | S | 29.7 | Very low | 28.6 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 64.2 | 154.9 | 163.6 | -54.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 265 | C | 26.2 | Very low | 28.6 | Very low | 114 Ų | 114 | 134 Ų | 134 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | cis | -167.4 | 160.3 | -15.9 | -102.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 266 | S | 28.3 | Very low | 28.5 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | cis | -170.3 | -176 | -12.2 | 58.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 267 | L | 29.5 | Very low | 28.5 | Very low | 166 Ų | 166 | 131 Ų | 131 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 70.6 | 133.5 | 171.7 | -65.1 | 167.1 | 0 | 0 | 0 | 116.3 | ||||
| 268 | A | 27.3 | Very low | 28.2 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -153.6 | 154.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 269 | R | 28.3 | Very low | 27.5 | Very low | 246 Ų | 246 | 130.3 Ų | 130.3 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | trans | 72.4 | 64.7 | 147.2 | -144.4 | 175.5 | -156.8 | 159.9 | 5.3 | 119.9 | ||||
| 270 | T | 25.1 | Very low | 27.5 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -97.3 | 157.1 | 138.2 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 271 | R | 27.2 | Very low | 27.4 | Very low | 252 Ų | 252 | 141.1 Ų | 141.1 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | trans | -155.9 | 127.6 | 155 | -127.8 | -177.6 | -169.5 | -169.4 | 3.2 | 111.3 | ||||
| 272 | S | 28.8 | Very low | 27.3 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -139 | -176.4 | 167.4 | 63 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 273 | R | 30.3 | Very low | 27.3 | Very low | 200 Ų | 200 | 140.1 Ų | 140.1 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | 73.9 | 141.6 | 178.3 | -43.7 | -172.8 | 79.7 | -176.8 | -3.6 | 113.6 | ||||
| 274 | E | 26.4 | Very low | 27.4 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 66% | 0.659 | 78% | 0.78 | S | S | * | * | cis | -167.7 | 169.8 | -8.1 | -125 | 160.5 | -155.7 | 0 | 0 | 113.4 | ||||
| 275 | S | 25.3 | Very low | 27.2 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 92.7 | 158 | 143 | -138.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 276 | C | 26.7 | Very low | 27.2 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | trans | 67 | 79.5 | 156.3 | -69.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 277 | A | 25.9 | Very low | 27.2 | Very low | 96 Ų | 96 | 145.7 Ų | 145.7 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | 65.2 | 146.2 | 113.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 278 | S | 26.5 | Very low | 27.2 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 98.5 | 95.9 | 147 | 77.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 279 | V | 27.6 | Very low | 27.3 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | 61.3 | 126.9 | 115.3 | 170.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 280 | R | 26.8 | Very low | 27.3 | Very low | 225 Ų | 225 | 141.9 Ų | 141.9 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | 96 | 132 | 176.1 | -61.9 | 155.1 | -165.6 | -156 | 5.7 | 112.6 | ||||
| 281 | R | 27.4 | Very low | 27.4 | Very low | 232 Ų | 232 | 143.9 Ų | 143.9 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | cis | 95.5 | 130.5 | 24.6 | -170.7 | -154.1 | -75.8 | 159.2 | -4.2 | 113.1 | ||||
| 282 | A | 24.3 | Very low | 27.3 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | 91.5 | 99.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 283 | S | 26.7 | Very low | 27.3 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | 37.7 | 127.6 | 121.9 | 62.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 284 | S | 30.3 | Very low | 27.1 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 44.9 | 110.8 | 136.8 | 63.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 285 | A | 26.5 | Very low | 27.3 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -143.3 | 121.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 286 | D | 26.7 | Very low | 27.5 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -142.7 | 98 | 140.5 | -97.6 | -37.4 | 0 | 0 | 0 | 105.2 | ||||
| 287 | D | 28.2 | Very low | 28 | Very low | 166 Ų | 166 | 138 Ų | 138 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -164.1 | 119.7 | 142.1 | -102.1 | -23.9 | 0 | 0 | 0 | 107.3 | ||||
| 288 | I | 29.7 | Very low | 28.8 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -94 | 142.4 | 174.6 | -71.8 | 172.8 | 0 | 0 | 0 | 105 | ||||
| 289 | E | 28.7 | Very low | 30.5 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | -174.9 | 173.9 | 87.4 | -164.1 | 149.2 | -137.4 | 0 | 0 | 113.6 | |||||
| 290 | A | 27.6 | Very low | 31.4 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | 84.1 | 101.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 291 | M | 26.8 | Very low | 31.5 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 89% | 0.892 | 79% | 0.794 | S | S | * | * | trans | 76.8 | 94.6 | 132.6 | -59 | -67.5 | -92.7 | 0 | 0 | 121.2 | ||||
| 292 | R | 26.5 | Very low | 31.6 | Very low | 236 Ų | 236 | 134.1 Ų | 134.1 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -58 | 166.2 | 134.6 | -81.7 | 179.6 | 169.5 | 173.6 | -3.6 | 111 | ||||
| 293 | A | 28.6 | Very low | 31.7 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | cis | -174.1 | 159.3 | -23.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 294 | G | 27.1 | Very low | 31.9 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -169.1 | 155.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 295 | A | 29.6 | Very low | 32 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -144.8 | 140.7 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 296 | L | 29.3 | Very low | 32 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | 61.5 | 164.5 | 158.8 | -68.7 | 158.1 | 0 | 0 | 0 | 117.5 | ||||
| 297 | P | 38 | Very low | 32 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | -123.5 | -172.8 | -20 | 30.6 | -8.7 | 0 | 0 | 0 | 113.1 | ||||
| 298 | P | 42.9 | Very low | 31.9 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -114.7 | -161.6 | -175.1 | 43.1 | -33.7 | 0 | 0 | 0 | 113.8 | ||||
| 299 | P | 60.8 | Low | 31.8 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | cis | -113.8 | -162.6 | -48.8 | 38.3 | -21.4 | 0 | 0 | 0 | 110.6 | ||||
| 300 | P | 46.7 | Very low | 32.5 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | -164 | 171.5 | 86.2 | 44.2 | -23.5 | 0 | 0 | 0 | 119.5 | |||||
| 301 | R | 28.3 | Very low | 32.4 | Very low | 216 Ų | 216 | 132.1 Ų | 132.1 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | 65.1 | 155.7 | 150.9 | -72.7 | 163.9 | -171.2 | 178.4 | 2.4 | 118.3 | ||||
| 302 | H | 30 | Very low | 32.4 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | cis | -158.9 | 175.7 | -6.7 | -100 | -51.8 | 0 | 0 | 0 | 106.5 | ||||
| 303 | A | 27.6 | Very low | 32.4 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 58% | 0.579 | 78% | 0.782 | S | S | * | * | cis | -177.5 | 161.5 | -41.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 304 | S | 31.2 | Very low | 32.3 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 60.6 | 152.4 | 175.5 | 42.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 305 | T | 31 | Very low | 32.4 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | cis | -157.5 | 165.8 | -1.4 | 6.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 306 | G | 26.2 | Very low | 32.4 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | cis | 132.8 | 86.2 | 5.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 307 | A | 27.4 | Very low | 32.1 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | trans | -161.3 | 155.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 308 | M | 27 | Very low | 31.5 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -141.8 | 124.2 | -175.6 | -122.2 | -163.8 | -178.5 | 0 | 0 | 113 | ||||
| 309 | H | 26.9 | Very low | 30.7 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | 57.3 | 174 | 150.9 | -76.9 | -55 | 0 | 0 | 0 | 119.3 | ||||
| 310 | P | 42.9 | Very low | 29.2 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | cis | -129.5 | -176.5 | -0.1 | 41 | -24.2 | 0 | 0 | 0 | 116.8 | ||||
| 311 | L | 26.6 | Very low | 28.3 | Very low | 143 Ų | 143 | 139 Ų | 139 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | 78.2 | 115.1 | 153.4 | -77.5 | 162.6 | 0 | 0 | 0 | 122.9 | ||||
| 312 | R | 26.5 | Very low | 28.3 | Very low | 230 Ų | 230 | 134.1 Ų | 134.1 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | 36 | 131.3 | 136.2 | -75 | 179.4 | 172.9 | 173.9 | -2.8 | 118.8 | ||||
| 313 | S | 25.1 | Very low | 28.2 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | cis | -173.8 | 169.6 | 34.5 | 47.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 314 | G | 26.6 | Very low | 28.2 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | 150.9 | 124.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 315 | L | 29.8 | Very low | 28.1 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -80.5 | 142.2 | 171.5 | -67 | 128.4 | 0 | 0 | 0 | 110 | ||||
| 316 | L | 28.7 | Very low | 28 | Very low | 171 Ų | 171 | 143 Ų | 143 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -158.2 | 136 | 148.7 | -113 | 174.1 | 0 | 0 | 0 | 111.1 | ||||
| 317 | N | 25 | Very low | 28.1 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | trans | -81.5 | 139.9 | 173.4 | -69.5 | -22.1 | 0 | 0 | 0 | 110.2 | ||||
| 318 | S | 24.9 | Very low | 28.1 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -152.3 | 89.6 | 154.6 | -158 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 319 | T | 26.2 | Very low | 28.1 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 82% | 0.816 | 82% | 0.823 | S | S | * | * | trans | -99.4 | 103.2 | 170.4 | 49 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 320 | S | 28.1 | Very low | 28.3 | Very low | 111 Ų | 111 | 153.7 Ų | 153.7 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -103.8 | 109.4 | 166 | 57.1 | 0 | 0 | 0 | 0 | 109 | S322 | S320-S322 PolarHBondContact O-N 3.16Š| ||
| 321 | D | 27.7 | Very low | 27.5 | Very low | 154 Ų | 154 | 154 Ų | 154 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | -63 | 129.6 | 179.5 | -67.8 | -70.5 | 0 | 0 | 0 | 112.8 | ||||
| 322 | S | 28.5 | Very low | 27.5 | Very low | 112 Ų | 112 | 156 Ų | 156 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | trans | -168 | 161.2 | 140.4 | -80.6 | 0 | 0 | 0 | 0 | 110.7 | S320 | S320-S322 PolarHBondContact O-N 3.16Š| ||
| 323 | D | 27.9 | Very low | 27.9 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | 59.1 | 93.6 | 170.4 | -64.6 | -17 | 0 | 0 | 0 | 119.1 | ||||
| 324 | L | 28.6 | Very low | 28.2 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -139.2 | 51.6 | 159.2 | -126.8 | 173.9 | 0 | 0 | 0 | 113.7 | ||||
| 325 | V | 29.4 | Very low | 28.3 | Very low | 142 Ų | 142 | 156.8 Ų | 156.8 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -112.5 | 63.1 | 170.1 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 326 | R | 29 | Very low | 28.3 | Very low | 214 Ų | 214 | 155.9 Ų | 155.9 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | trans | 172.9 | 112.9 | 146.7 | -98.4 | 163 | -168 | 171.9 | 7.8 | 110.7 | ||||
| 327 | Y | 28.2 | Very low | 28.1 | Very low | 217 Ų | 217 | 153.5 Ų | 153.5 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | 169 | 99.9 | 118 | -94.1 | -64.6 | 0 | 0 | 0 | 110.9 | |||||
| 328 | R | 26.2 | Very low | 28.1 | Very low | 249 Ų | 249 | 153 Ų | 153 | 94% | 0.94 | 81% | 0.809 | S | S | * | * | trans | -167 | 119 | 144.4 | -111.8 | 166.5 | -172.6 | 174 | 3.6 | 110.9 | ||||
| 329 | T | 28.2 | Very low | 28 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -141.5 | 142.6 | 170.6 | 45.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 330 | I | 29.4 | Very low | 27.9 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | 74.6 | 101.4 | 166.1 | -53.7 | 152.3 | 0 | 0 | 0 | 116.5 | ||||
| 331 | S | 26.2 | Very low | 27.9 | Very low | 111 Ų | 111 | 156.1 Ų | 156.1 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | 171 | 86.4 | 123.1 | 58.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 332 | K | 27.2 | Very low | 27.8 | Very low | 185 Ų | 185 | 155.3 Ų | 155.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 48.9 | 106.6 | 93.3 | -91.4 | -165.7 | 171.8 | -173 | 0 | 116.4 | |||||
| 333 | I | 35.8 | Very low | 27.7 | Very low | 127 Ų | 127 | 158.6 Ų | 158.6 | 65% | 0.651 | 80% | 0.802 | S | S | * | * | trans | 62.1 | 133.5 | 135.7 | -53 | 163 | 0 | 0 | 0 | 118.6 | Q335 | I333-Q335 HydrophobicContact CG2-CG 4.04Š| ||
| 334 | P | 31.6 | Very low | 27.5 | Very low | 131 Ų | 131 | 160.1 Ų | 160.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | -120.4 | 161.5 | 129.6 | 36.2 | -32 | 0 | 0 | 0 | 113 | |||||
| 335 | Q | 27.6 | Very low | 27.4 | Very low | 188 Ų | 188 | 156.1 Ų | 156.1 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -110.2 | -179.5 | 177.7 | -70.9 | -177.7 | -77.7 | 0 | 0 | 111.8 | I333 | I333-Q335 HydrophobicContact CG2-CG 4.04Š| ||
| 336 | I | 29.2 | Very low | 27.1 | Very low | 156 Ų | 156 | 156 Ų | 156 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -85.4 | 149 | 178.9 | -44.6 | 172.6 | 0 | 0 | 0 | 109.9 | ||||
| 337 | T | 24.3 | Very low | 27.7 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 129.1 | 123.7 | 144.3 | 65.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 338 | L | 26.2 | Very low | 27.8 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 73.8 | 121.8 | 139.6 | -67.2 | 166.8 | 0 | 0 | 0 | 123.6 | ||||
| 339 | N | 23.3 | Very low | 28 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | trans | 74.2 | 154.5 | 144.6 | -56.9 | -9.5 | 0 | 0 | 0 | 118.1 | ||||
| 340 | F | 24.3 | Very low | 28 | Very low | 181 Ų | 181 | 143 Ų | 143 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | cis | -154.4 | 157.3 | 16.9 | -123 | -48.6 | 0 | 0 | 0 | 113 | ||||
| 341 | V | 26.9 | Very low | 27.9 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | trans | 71.2 | 140.9 | 155.7 | -177.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 342 | D | 25.8 | Very low | 28.7 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -65 | 161 | 179.6 | -46.5 | -103.5 | 0 | 0 | 0 | 116.8 | ||||
| 343 | L | 25.4 | Very low | 28.7 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 94% | 0.942 | 77% | 0.774 | S | S | * | * | -147.8 | 157.1 | 111.5 | -135.6 | 71.8 | 0 | 0 | 0 | 111.5 | |||||
| 344 | K | 25.6 | Very low | 28.4 | Very low | 193 Ų | 193 | 137 Ų | 137 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -111.7 | 145.4 | -159.7 | -180 | 178.7 | 179.6 | 177.4 | 0 | 112.6 | ||||
| 345 | G | 25.7 | Very low | 28.1 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -171.9 | 44 | -175.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 346 | D | 22.3 | Very low | 28.1 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -66.5 | 170.9 | 161 | -63.6 | -61.9 | 0 | 0 | 0 | 111.3 | ||||
| 347 | P | 43.2 | Very low | 27.9 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | cis | -136.5 | -157.6 | 15.7 | 41.8 | -19 | 0 | 0 | 0 | 112.8 | ||||
| 348 | F | 28.7 | Very low | 28.1 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | cis | -160.9 | -170 | 6.3 | -145.4 | -4.8 | 0 | 0 | 0 | 112.6 | ||||
| 349 | L | 31 | Very low | 28.1 | Very low | 154 Ų | 154 | 141 Ų | 141 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | 68.7 | 126.2 | 170.2 | -54.9 | -174.5 | 0 | 0 | 0 | 117.4 | ||||
| 350 | A | 27.5 | Very low | 28.4 | Very low | 79 Ų | 79 | 140 Ų | 140 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | cis | -155.2 | 128.4 | -8.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 351 | S | 28.1 | Very low | 28.6 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | 90.4 | 152.1 | 85 | 98.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 352 | P | 43 | Very low | 28.7 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | -142.1 | -155.9 | -104 | 37.3 | -14.6 | 0 | 0 | 0 | 115 | |||||
| 353 | T | 27.3 | Very low | 28.7 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | 105.3 | 137.9 | 160.1 | 68.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 354 | S | 29.4 | Very low | 28.9 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | -107.2 | 167 | 170.6 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 355 | D | 26.3 | Very low | 28.9 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | -172.1 | 173.6 | 109.5 | -90.7 | -4.3 | 0 | 0 | 0 | 112.1 | |||||
| 356 | R | 27.4 | Very low | 29.4 | Very low | 227 Ų | 227 | 149.1 Ų | 149.1 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -102.7 | 152 | -179.5 | -60.5 | 169.1 | 156.9 | -172.1 | -4.8 | 108.5 | ||||
| 357 | E | 23.8 | Very low | 30 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | -174.1 | 155.2 | 70.6 | -91.8 | -159.4 | 150.6 | 0 | 0 | 113.8 | |||||
| 358 | I | 28.1 | Very low | 29.7 | Very low | 133 Ų | 133 | 149.2 Ų | 149.2 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | 38.3 | 116.4 | 142.7 | -45.5 | 162.4 | 0 | 0 | 0 | 119.5 | ||||
| 359 | I | 26 | Very low | 29.9 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | -175.1 | 136.4 | 116.4 | -93.3 | 161.6 | 0 | 0 | 0 | 108.7 | |||||
| 360 | A | 30.7 | Very low | 30.2 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -149.6 | 126 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 361 | P | 29.1 | Very low | 30.7 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -118.6 | 135 | 162.8 | 34.2 | -22.4 | 0 | 0 | 0 | 113.1 | ||||
| 362 | K | 27.6 | Very low | 31.2 | Very low | 203 Ų | 203 | 145.6 Ų | 145.6 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | -31.7 | 133 | 173.7 | -62.4 | 160.6 | 176.9 | 167.5 | 0 | 116.3 | ||||
| 363 | I | 27.1 | Very low | 31 | Very low | 178 Ų | 178 | 148 Ų | 148 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | trans | -119.6 | 155.5 | 130.4 | -66.4 | -174.1 | 0 | 0 | 0 | 108.1 | ||||
| 364 | K | 28.6 | Very low | 31.6 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | trans | -114.5 | 102.6 | -157 | 174.5 | -173.8 | 177.2 | 179.5 | 0 | 111.3 | ||||
| 365 | E | 26.3 | Very low | 32 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -74.2 | 151.3 | 172.4 | -67.2 | -158.4 | 133.9 | 0 | 0 | 112.7 | ||||
| 366 | R | 36.5 | Very low | 32.5 | Very low | 230 Ų | 230 | 144.4 Ų | 144.4 | 87% | 0.868 | 72% | 0.72 | S | S | * | * | trans | -144.7 | 42.6 | -174.2 | -161.4 | -157.1 | 167.7 | 152.2 | -0.8 | 113 | ||||
| 367 | T | 34.9 | Very low | 33.1 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 64% | 0.644 | 70% | 0.697 | S | S | * | * | trans | -147.5 | 48.5 | -179.1 | 39.5 | 0 | 0 | 0 | 0 | 112.5 | N369 | T367-N369 VanDerWaalsContact C-N 3.33Å; T367-N369 PolarHBondContact O-N 2.96Å | ||
| 368 | H | 36.5 | Very low | 34 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -2 | -173 | -124.8 | -71.5 | 0 | 0 | 0 | 115.4 | ||
| 369 | N | 33.5 | Very low | 34.4 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 69% | 0.69 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 16.7 | -160.9 | 50.9 | -38.3 | 0 | 0 | 0 | 114.7 | T367 | T367-N369 VanDerWaalsContact C-N 3.33Å; T367-N369 PolarHBondContact O-N 2.96Å |
| 370 | V | 36.7 | Very low | 35.1 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 65% | 0.648 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | -39.9 | 173.1 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 371 | T | 38.6 | Very low | 35.4 | Very low | 83 Ų | 83 | 127 Ų | 127 | 51% | 0.509 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -62.7 | -41.9 | 178.1 | 42.3 | 0 | 0 | 0 | 0 | 112.8 | K373 V374 T375 | T371-K373 VanDerWaalsContact C-N 3.31Å; T371-K373 PolarHBondContact O-N 3.35Å; T371-V374 WeakPolarHBondContact O-CA 3.41Å; T371-V374 WeakPolarHBondContact O-CB 3.33Å; T371-V374 PolarHBondContact O-N 2.85Å; T371-T375 PolarHBondContact O-N 3.2Å; T371-T375 PolarHBondContact O-OG1 3.18Å |
| 372 | E | 38 | Very low | 35.6 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -57.2 | -39.1 | -173.9 | -168.6 | 174.4 | -135 | 0 | 0 | 113.4 | V374 T375 Q376 | E372-V374 VanDerWaalsContact C-N 3.34Å; E372-V374 PolarHBondContact O-N 3.39Å; E372-T375 WeakPolarHBondContact CA-OG1 3.37Å; E372-T375 PolarHBondContact O-OG1 2.97Å; E372-Q376 VanDerWaalsContact O-CB 3.26Å; E372-Q376 WeakPolarHBondContact O-CB 3.27Å; E372-Q376 PolarHBondContact O-N 3.2Å |
| 373 | K | 37.7 | Very low | 36.1 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.6 | -23.8 | 176 | -72.8 | -170.3 | 175.6 | -176.6 | 0 | 113.6 | T371 V377 | T371-K373 VanDerWaalsContact C-N 3.31Å; T371-K373 PolarHBondContact O-N 3.35Å; K373-V377 WeakPolarHBondContact O-CG2 3.45Å; K373-V377 PolarHBondContact O-N 2.73Å |
| 374 | V | 40.3 | Very low | 36.8 | Very low | 82 Ų | 82 | 117.5 Ų | 117.5 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -80.3 | -44.5 | 174.2 | -178 | 0 | 0 | 0 | 0 | 109.8 | T371 E372 Q376 V377 L378 | T371-V374 WeakPolarHBondContact O-CA 3.41Å; T371-V374 WeakPolarHBondContact O-CB 3.33Å; T371-V374 PolarHBondContact O-N 2.85Å; E372-V374 VanDerWaalsContact C-N 3.34Å; E372-V374 PolarHBondContact O-N 3.39Å; V374-Q376 VanDerWaalsContact C-N 3.3Å; V374-Q376 PolarHBondContact O-N 2.83Å; V374-V377 WeakPolarHBondContact O-CA 3.5Å; V374-V377 WeakPolarHBondContact O-CB 3.43Å; V374-V377 PolarHBondContact O-N 3.43Å; V374-L378 HydrophobicContact CG1-CD1 4Å; V374-L378 WeakPolarHBondContact O-CG 3.37Å; V374-L378 PolarHBondContact O-N 3.21Å; V374-L378 VanDerWaalsContact O-N 3.08Å |
| 375 | T | 37.7 | Very low | 37.7 | Very low | 84 Ų | 84 | 109.1 Ų | 109.1 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.5 | -35.8 | 174 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | T371 E372 V377 L378 S379 | T371-T375 PolarHBondContact O-N 3.2Å; T371-T375 PolarHBondContact O-OG1 3.18Å; E372-T375 WeakPolarHBondContact CA-OG1 3.37Å; E372-T375 PolarHBondContact O-OG1 2.97Å; T375-V377 VanDerWaalsContact C-N 3.25Å; T375-V377 PolarHBondContact O-N 3.38Å; T375-L378 PolarHBondContact O-N 3.1Å; T375-L378 VanDerWaalsContact O-N 3.17Å; T375-S379 WeakPolarHBondContact O-CB 3.46Å; T375-S379 PolarHBondContact O-N 2.92Å |
| 376 | Q | 37.2 | Very low | 38.4 | Very low | 148 Ų | 148 | 103.8 Ų | 103.8 | 69% | 0.692 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.1 | -19.8 | 174.5 | -166.3 | 173 | 61.1 | 0 | 0 | 113.2 | E372 V374 | E372-Q376 VanDerWaalsContact O-CB 3.26Å; E372-Q376 WeakPolarHBondContact O-CB 3.27Å; E372-Q376 PolarHBondContact O-N 3.2Å; V374-Q376 VanDerWaalsContact C-N 3.3Å; V374-Q376 PolarHBondContact O-N 2.83Å |
| 377 | V | 40 | Very low | 38.5 | Very low | 64 Ų | 64 | 95.7 Ų | 95.7 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -81.5 | -29.6 | 170.3 | 161 | 0 | 0 | 0 | 0 | 112.1 | K373 V374 T375 | K373-V377 WeakPolarHBondContact O-CG2 3.45Å; K373-V377 PolarHBondContact O-N 2.73Å; V374-V377 WeakPolarHBondContact O-CA 3.5Å; V374-V377 WeakPolarHBondContact O-CB 3.43Å; V374-V377 PolarHBondContact O-N 3.43Å; T375-V377 VanDerWaalsContact C-N 3.25Å; T375-V377 PolarHBondContact O-N 3.38Å |
| 378 | L | 43 | Very low | 38.7 | Very low | 79 Ų | 79 | 100.6 Ų | 100.6 | 41% | 0.414 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -90.6 | -24.6 | -177.5 | -67.1 | 168.1 | 0 | 0 | 0 | 114.4 | V374 T375 L380 | V374-L378 HydrophobicContact CG1-CD1 4Å; V374-L378 WeakPolarHBondContact O-CG 3.37Å; V374-L378 PolarHBondContact O-N 3.21Å; V374-L378 VanDerWaalsContact O-N 3.08Å; T375-L378 PolarHBondContact O-N 3.1Å; T375-L378 VanDerWaalsContact O-N 3.17Å; L378-L380 PolarHBondContact O-N 3.45Å |
| 379 | S | 35.8 | Very low | 38.5 | Very low | 100 Ų | 100 | 98.8 Ų | 98.8 | 70% | 0.699 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 8 | -179.8 | -170.8 | 0 | 0 | 0 | 0 | 114.5 | T375 G381 | T375-S379 WeakPolarHBondContact O-CB 3.46Å; T375-S379 PolarHBondContact O-N 2.92Å; S379-G381 VanDerWaalsContact C-N 3.26Å; S379-G381 PolarHBondContact O-N 3.27Å |
| 380 | L | 41.4 | Very low | 38.7 | Very low | 105 Ų | 105 | 101.7 Ų | 101.7 | 55% | 0.55 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | 0.7 | 177.7 | -119.4 | 73.1 | 0 | 0 | 0 | 114.1 | L378 A382 V384 | L378-L380 PolarHBondContact O-N 3.45Å; L380-A382 VanDerWaalsContact C-N 3.27Å; L380-A382 PolarHBondContact O-N 3.16Å; L380-V384 HydrophobicContact CD2-CG2 4.48Å; L380-V384 HydrophobicContact CG-CG2 4.35Å; L380-V384 WeakPolarHBondContact O-CG2 3.47Å |
| 381 | G | 36.9 | Very low | 38.6 | Very low | 54 Ų | 54 | 101.5 Ų | 101.5 | 56% | 0.557 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -1.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | S379 | S379-G381 VanDerWaalsContact C-N 3.26Å; S379-G381 PolarHBondContact O-N 3.27Å |
| 382 | A | 33.8 | Very low | 38.8 | Very low | 72 Ų | 72 | 101.5 Ų | 101.5 | 60% | 0.595 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -20.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.6 | L380 | L380-A382 VanDerWaalsContact C-N 3.27Å; L380-A382 PolarHBondContact O-N 3.16Å |
| 383 | D | 37.5 | Very low | 39.3 | Very low | 159 Ų | 159 | 97.8 Ų | 97.8 | 85% | 0.85 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -113 | 7.4 | -165.4 | -88.8 | -25 | 0 | 0 | 0 | 114.4 | ||
| 384 | V | 42.2 | Very low | 40.1 | Very low | 68 Ų | 68 | 97.3 Ų | 97.3 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -113.2 | -20.4 | -157.9 | 179 | 0 | 0 | 0 | 0 | 115.4 | F14 L380 | F14-V384 HydrophobicContact CB-CG1 3.99Å; L380-V384 HydrophobicContact CD2-CG2 4.48Å; L380-V384 HydrophobicContact CG-CG2 4.35Å; L380-V384 WeakPolarHBondContact O-CG2 3.47Å |
| 385 | L | 46.5 | Very low | 41.1 | Very low | 11 Ų | 11 | 96.3 Ų | 96.3 | 6% | 0.058 | 53% | 0.528 | C | S | . | . | trans | -137.9 | 95.2 | -162.4 | -60.7 | 175.7 | 0 | 0 | 0 | 115.6 | F14 V115 K116 N117 E118 | F14-L385 HydrophobicContact CB-CD2 3.95Å; F14-L385 HydrophobicContact CD1-CD2 3.26Å; F14-L385 HydrophobicContact CD2-CD2 3.79Å; F14-L385 HydrophobicContact CE1-CD2 3.56Å; F14-L385 HydrophobicContact CE2-CD2 4.06Å; F14-L385 HydrophobicContact CG-CD2 3.4Å; F14-L385 HydrophobicContact CZ-CD2 3.95Å; V115-L385 HydrophobicContact CG1-CD1 4.2Å; K116-L385 WeakPolarHBondContact O-CD1 3.12Å; N117-L385 PolarHBondContact ND2-O 3.12Å; N117-L385 WeakPolarHBondContact OD1-CB 3.21Å; N117-L385 PolarHBondContact OD1-O 3.16Å; N117-L385 VanDerWaalsContact OD1-O 3.12Å; E118-L385 WeakPolarHBondContact CG-O 3.42Å | ||
| 386 | P | 40.8 | Very low | 42.2 | Very low | 56 Ų | 56 | 97.3 Ų | 97.3 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | trans | -78.9 | 152.4 | 170.6 | 32.3 | -34.9 | 0 | 0 | 0 | 112.9 | ||||
| 387 | E | 39.7 | Very low | 43.7 | Very low | 61 Ų | 61 | 101.9 Ų | 101.9 | 29% | 0.285 | 54% | 0.537 | S | S | . | . | trans | -47.4 | 154.7 | -179.8 | -70.6 | -169 | 84.1 | 0 | 0 | 116.3 | Q11 K389 | Q11-E387 PolarHBondContact NE2-O 3.05Å; E387-K389 VanDerWaalsContact CD-NZ 3.29Å; E387-K389 PolarHBondContact O-N 3.36Å; E387-K389 IonicContact OE1-NZ 3.65Å; E387-K389 PolarHBondContact OE1-NZ 2.79Å; E387-K389 IonicContact OE2-NZ 3.54Å; E387-K389 PolarHBondContact OE2-NZ 3.08Å; E387-K389 VanDerWaalsContact OE2-NZ 3.12Å | ||
| 388 | Y | 38.4 | Very low | 45.7 | Very low | 207 Ų | 207 | 107.8 Ų | 107.8 | 81% | 0.812 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -63.5 | 34.6 | 173 | -174.6 | -107.1 | 0 | 0 | 0 | 115.4 | ||
| 389 | K | 32.1 | Very low | 47.9 | Very low | 110 Ų | 110 | 104.8 Ų | 104.8 | 48% | 0.478 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -114.6 | 145.3 | 175.2 | -67.9 | 169.9 | -174.8 | 137.7 | 0 | 109.3 | Q11 E387 Q391 | Q11-K389 PolarHBondContact NE2-O 3.15Å; E387-K389 VanDerWaalsContact CD-NZ 3.29Å; E387-K389 PolarHBondContact O-N 3.36Å; E387-K389 IonicContact OE1-NZ 3.65Å; E387-K389 PolarHBondContact OE1-NZ 2.79Å; E387-K389 IonicContact OE2-NZ 3.54Å; E387-K389 PolarHBondContact OE2-NZ 3.08Å; E387-K389 VanDerWaalsContact OE2-NZ 3.12Å; K389-Q391 HydrophobicContact CB-CG 4.3Å; K389-Q391 PolarHBondContact O-N 3.46Å |
| 390 | L | 38.8 | Very low | 50.5 | Low | 190 Ų | 190 | 102.1 Ų | 102.1 | 100% | 0.995 | 52% | 0.515 | S | S | * | . | trans | -70 | 53.8 | 172.6 | -77.4 | 158.6 | 0 | 0 | 0 | 112 | ||||
| 391 | Q | 34.6 | Very low | 52.7 | Low | 104 Ų | 104 | 98.7 Ų | 98.7 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 138.9 | 169.2 | -71.3 | -173.6 | -8.1 | 0 | 0 | 109.3 | K389 | K389-Q391 HydrophobicContact CB-CG 4.3Å; K389-Q391 PolarHBondContact O-N 3.46Å |
| 392 | A | 42.2 | Very low | 55.1 | Low | 83 Ų | 83 | 97.1 Ų | 97.1 | 69% | 0.686 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 141.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | R394 | A392-R394 PolarHBondContact O-N 3.28Š|
| 393 | P | 49.1 | Very low | 57.5 | Low | 57 Ų | 57 | 97.4 Ų | 97.4 | 37% | 0.37 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -54 | 142.1 | -171.8 | 21.2 | -33.8 | 0 | 0 | 0 | 111.1 | V8 I395 | V8-P393 HydrophobicContact CG1-CB 4.12Å; V8-P393 HydrophobicContact CG1-CG 4.15Å; V8-P393 HydrophobicContact CG2-CG 3.93Å; P393-I395 HydrophobicContact CG-CG1 4.36Å; P393-I395 WeakPolarHBondContact O-CG1 3.36Å; P393-I395 PolarHBondContact O-N 3.07Å |
| 394 | R | 53.4 | Low | 59.9 | Low | 150 Ų | 150 | 91.3 Ų | 91.3 | 57% | 0.566 | 43% | 0.431 | S | S | * | . | trans | -70 | 75.7 | 175 | -68 | -174 | -173.9 | 166.9 | 5.3 | 110.1 | E118 A392 H396 | E118-R394 IonicContact OE1-NH1 2.65Å; E118-R394 IonicContact OE2-CZ 3.12Å; E118-R394 IonicContact OE2-NH1 3.01Å; E118-R394 PolarHBondContact OE2-NH1 3.34Å; E118-R394 IonicContact OE2-NH2 2.63Å; A392-R394 PolarHBondContact O-N 3.28Å; R394-H396 PolarHBondContact O-N 2.86Å | ||
| 395 | I | 61.4 | Low | 62.1 | Low | 60 Ų | 60 | 93 Ų | 93 | 31% | 0.308 | 44% | 0.444 | S | S | . | . | trans | -58 | 129.6 | 175.7 | -62.1 | 141.8 | 0 | 0 | 0 | 107.5 | P393 R397 T399 L401 | P393-I395 HydrophobicContact CG-CG1 4.36Å; P393-I395 WeakPolarHBondContact O-CG1 3.36Å; P393-I395 PolarHBondContact O-N 3.07Å; I395-R397 PolarHBondContact O-N 2.72Å; I395-T399 WeakPolarHBondContact CG2-OG1 3.38Å; I395-L401 HydrophobicContact CD1-CD1 3.55Å; I395-L401 HydrophobicContact CD1-CD2 3.83Å; I395-L401 HydrophobicContact CD1-CG 4.35Å; I395-L401 HydrophobicContact CG1-CD1 3.82Å; I395-L401 HydrophobicContact CG2-CD1 3.94Å | ||
| 396 | H | 60.8 | Low | 64.2 | Low | 106 Ų | 106 | 97.6 Ų | 97.6 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | trans | -54.8 | 136.4 | 177.9 | -177 | 82.5 | 0 | 0 | 0 | 109.6 | R394 W398 T399 | R394-H396 PolarHBondContact O-N 2.86Å; H396-W398 PolarHBondContact O-N 2.8Å; H396-T399 PolarHBondContact O-N 3.02Å; H396-T399 PolarHBondContact O-OG1 3.24Å | ||
| 397 | R | 69.9 | Low | 66.6 | Low | 244 Ų | 244 | 95.4 Ų | 95.4 | 92% | 0.921 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -11.2 | -168.4 | -81.7 | -178.8 | 170.5 | 175.3 | -2.9 | 116.6 | I395 | I395-R397 PolarHBondContact O-N 2.72Š|
| 398 | W | 82.6 | Confident | 68.9 | Low | 187 Ų | 187 | 94.4 Ų | 94.4 | 71% | 0.708 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.8 | 36.6 | -175.9 | -60.6 | 70.8 | 0 | 0 | 0 | 112.6 | H396 R472 | H396-W398 PolarHBondContact O-N 2.8Å; W398-R472 WeakPolarHBondContact O-CD 3.13Å; W398-R472 PolarHBondContact O-NH1 2.63Å |
| 399 | T | 87.9 | Confident | 71.4 | Confident | 17 Ų | 17 | 89.5 Ų | 89.5 | 10% | 0.104 | 44% | 0.441 | C | S | . | . | trans | -128.4 | 149.7 | 169.2 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | I395 H396 R472 | I395-T399 WeakPolarHBondContact CG2-OG1 3.38Å; H396-T399 PolarHBondContact O-N 3.02Å; H396-T399 PolarHBondContact O-OG1 3.24Å; T399-R472 CarbonylContact C-O 3.29Å; T399-R472 VanDerWaalsContact CA-O 3.31Å; T399-R472 WeakPolarHBondContact CA-O 3.47Å; T399-R472 WeakPolarHBondContact CB-O 3.16Å | ||
| 400 | I | 90 | Very high | 74.3 | Confident | 43 Ų | 43 | 85.8 Ų | 85.8 | 22% | 0.221 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -113.8 | 132.9 | -168.8 | -61.4 | 172 | 0 | 0 | 0 | 109.8 | F406 K407 I469 R472 T473 T474 | I400-F406 HydrophobicContact CD1-CE1 4.39Å; I400-K407 HydrophobicContact CG2-CB 4.29Å; I400-I469 HydrophobicContact CD1-CG2 4.28Å; I400-R472 PolarHBondContact N-O 3.21Å; I400-T473 HydrophobicContact CB-CG2 4.02Å; I400-T473 HydrophobicContact CG2-CG2 4.11Å; I400-T473 CarbonylContact O-C 3.59Å; I400-T473 VanDerWaalsContact O-CA 3.25Å; I400-T473 WeakPolarHBondContact O-CA 3.49Å; I400-T474 PolarHBondContact O-N 2.84Å; I400-T474 PolarHBondContact O-OG1 3.36Å |
| 401 | L | 88.3 | Confident | 76.7 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | trans | -74.7 | 133.9 | 177.5 | -91.1 | 47.3 | 0 | 0 | 0 | 111.7 | I395 Y403 S404 T474 | I395-L401 HydrophobicContact CD1-CD1 3.55Å; I395-L401 HydrophobicContact CD1-CD2 3.83Å; I395-L401 HydrophobicContact CD1-CG 4.35Å; I395-L401 HydrophobicContact CG1-CD1 3.82Å; I395-L401 HydrophobicContact CG2-CD1 3.94Å; L401-Y403 HydrophobicContact CD2-CE1 4.21Å; L401-Y403 HydrophobicContact CD2-CE2 3.81Å; L401-Y403 WeakPolarHBondContact CD2-OH 3.45Å; L401-Y403 HydrophobicContact CG-CE1 4.18Å; L401-Y403 HydrophobicContact CG-CE2 4.49Å; L401-Y403 PolarHBondContact O-N 3.3Å; L401-S404 WeakPolarHBondContact O-CB 3.48Å; L401-S404 PolarHBondContact O-N 3.09Å; L401-T474 HydrophobicContact CD1-CG2 3.95Å | ||
| 402 | H | 87.3 | Confident | 79.3 | Confident | 22 Ų | 22 | 77.5 Ų | 77.5 | 10% | 0.102 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -28.3 | 178.4 | 60.2 | -86.8 | 0 | 0 | 0 | 113.5 | T474 V476 | H402-T474 WeakPolarHBondContact CB-O 3.5Å; H402-T474 PolarHBondContact N-OG1 3.45Å; H402-T474 PolarHBondContact ND1-OG1 2.89Å; H402-V476 VanDerWaalsContact CE1-CG2 3.46Å; H402-V476 WeakPolarHBondContact CE1-CG2 3.27Å; H402-V476 WeakPolarHBondContact NE2-CG2 3.46Å |
| 403 | Y | 84.4 | Confident | 81.7 | Confident | 78 Ų | 78 | 77 Ų | 77 | 31% | 0.306 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 8.9 | 174 | 63.4 | -99.6 | 0 | 0 | 0 | 113.8 | R5 L401 | R5-Y403 HydrophobicContact CG-CD1 4.05Å; R5-Y403 HydrophobicContact CG-CG 4.09Å; L401-Y403 HydrophobicContact CD2-CE1 4.21Å; L401-Y403 HydrophobicContact CD2-CE2 3.81Å; L401-Y403 WeakPolarHBondContact CD2-OH 3.45Å; L401-Y403 HydrophobicContact CG-CE1 4.18Å; L401-Y403 HydrophobicContact CG-CE2 4.49Å; L401-Y403 PolarHBondContact O-N 3.3Å |
| 404 | S | 87.9 | Confident | 83.7 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 21% | 0.21 | 34% | 0.344 | C | S | . | . | trans | -63.4 | 138.1 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | L401 F406 K407 A408 | L401-S404 WeakPolarHBondContact O-CB 3.48Å; L401-S404 PolarHBondContact O-N 3.09Å; S404-F406 PolarHBondContact O-N 2.9Å; S404-F406 PolarHBondContact OG-N 3.03Å; S404-K407 PolarHBondContact O-N 3.43Å; S404-A408 PolarHBondContact O-N 3.47Å | ||
| 405 | P | 88.3 | Confident | 85.4 | Confident | 104 Ų | 104 | 67.6 Ų | 67.6 | 68% | 0.675 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.9 | -32.8 | 175.3 | 24.5 | -34 | 0 | 0 | 0 | 112.1 | A408 V409 | P405-A408 PolarHBondContact O-N 2.78Å; P405-V409 WeakPolarHBondContact O-CG2 3.33Å; P405-V409 PolarHBondContact O-N 3.47Å |
| 406 | F | 91.4 | Very high | 86.9 | Confident | 108 Ų | 108 | 70.5 Ų | 70.5 | 47% | 0.474 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 172.1 | 171.9 | -100.4 | 0 | 0 | 0 | 111.8 | I400 S404 A408 V409 W410 | I400-F406 HydrophobicContact CD1-CE1 4.39Å; S404-F406 PolarHBondContact O-N 2.9Å; S404-F406 PolarHBondContact OG-N 3.03Å; F406-A408 VanDerWaalsContact C-N 3.33Å; F406-A408 PolarHBondContact O-N 2.83Å; F406-V409 PolarHBondContact O-N 2.79Å; F406-W410 HydrophobicContact CZ-CE3 4.21Å; F406-W410 VanDerWaalsContact O-CB 3.31Å; F406-W410 WeakPolarHBondContact O-CB 3.42Å; F406-W410 PolarHBondContact O-N 2.75Å |
| 407 | K | 89.9 | Confident | 88.4 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.7 | -33.2 | 179.6 | -171.6 | 56.7 | 166.5 | 81.5 | 0 | 111.8 | I400 S404 D411 I469 T473 | I400-K407 HydrophobicContact CG2-CB 4.29Å; S404-K407 PolarHBondContact O-N 3.43Å; K407-D411 IonicContact NZ-OD1 3.8Å; K407-D411 PolarHBondContact NZ-OD1 2.77Å; K407-D411 IonicContact NZ-OD2 3.91Å; K407-D411 PolarHBondContact NZ-OD2 3.22Å; K407-D411 WeakPolarHBondContact O-CB 3.21Å; K407-D411 VanDerWaalsContact O-CG 3.26Å; K407-D411 PolarHBondContact O-N 3.33Å; K407-I469 HydrophobicContact CD-CG2 4.12Å; K407-T473 HydrophobicContact CD-CG2 3.97Å; K407-T473 VanDerWaalsContact CE-CG2 3.43Å; K407-T473 HydrophobicContact CG-CG2 4.42Å |
| 408 | A | 88.2 | Confident | 89.4 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64 | -48 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S404 P405 F406 D411 W412 | S404-A408 PolarHBondContact O-N 3.47Å; P405-A408 PolarHBondContact O-N 2.78Å; F406-A408 VanDerWaalsContact C-N 3.33Å; F406-A408 PolarHBondContact O-N 2.83Å; A408-D411 PolarHBondContact O-N 3.27Å; A408-W412 VanDerWaalsContact O-CD1 3.24Å; A408-W412 PolarHBondContact O-N 3.2Å |
| 409 | V | 90.9 | Very high | 89.9 | Confident | 104 Ų | 104 | 48.1 Ų | 48.1 | 63% | 0.63 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -64.6 | -41.5 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | P405 F406 D411 W412 L413 | P405-V409 WeakPolarHBondContact O-CG2 3.33Å; P405-V409 PolarHBondContact O-N 3.47Å; F406-V409 PolarHBondContact O-N 2.79Å; V409-D411 VanDerWaalsContact C-N 3.33Å; V409-D411 PolarHBondContact O-N 3.15Å; V409-W412 PolarHBondContact O-N 3.05Å; V409-L413 PolarHBondContact O-N 3.37Å |
| 410 | W | 92.4 | Very high | 90.1 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 13% | 0.125 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 174.6 | -174.9 | -89.9 | 0 | 0 | 0 | 112.2 | F406 W412 L413 I414 M462 V465 D466 I469 | F406-W410 HydrophobicContact CZ-CE3 4.21Å; F406-W410 VanDerWaalsContact O-CB 3.31Å; F406-W410 WeakPolarHBondContact O-CB 3.42Å; F406-W410 PolarHBondContact O-N 2.75Å; W410-W412 VanDerWaalsContact C-N 3.33Å; W410-W412 PolarHBondContact O-N 3.14Å; W410-L413 PolarHBondContact O-N 3.38Å; W410-I414 HydrophobicContact CZ2-CD1 4.22Å; W410-I414 WeakPolarHBondContact O-CG1 3.33Å; W410-I414 PolarHBondContact O-N 3.39Å; W410-M462 HydrophobicContact CH2-CE 3.41Å; W410-M462 VanDerWaalsContact CH2-CE 3.41Å; W410-M462 HydrophobicContact CH2-SD 4.14Å; W410-M462 HydrophobicContact CZ2-CE 4.21Å; W410-M462 HydrophobicContact CZ3-CE 3.81Å; W410-V465 HydrophobicContact CH2-CB 4.45Å; W410-V465 HydrophobicContact CH2-CG1 3.71Å; W410-V465 HydrophobicContact CZ2-CB 4.41Å; W410-V465 HydrophobicContact CZ2-CG1 3.85Å; W410-D466 PolarHBondContact NE1-OD1 2.92Å; W410-I469 HydrophobicContact CD2-CD1 3.88Å; W410-I469 VanDerWaalsContact CE2-CD1 3.45Å; W410-I469 HydrophobicContact CE3-CD1 4.29Å; W410-I469 HydrophobicContact CG-CD1 4.49Å; W410-I469 HydrophobicContact CH2-CD1 3.99Å; W410-I469 HydrophobicContact CZ2-CD1 3.53Å; W410-I469 HydrophobicContact CZ3-CD1 4.34Å |
| 411 | D | 89.4 | Confident | 90.2 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67 | -31.7 | 178.5 | -77.2 | -36.5 | 0 | 0 | 0 | 113 | K407 A408 V409 L415 K538 R541 Y542 | K407-D411 IonicContact NZ-OD1 3.8Å; K407-D411 PolarHBondContact NZ-OD1 2.77Å; K407-D411 IonicContact NZ-OD2 3.91Å; K407-D411 PolarHBondContact NZ-OD2 3.22Å; K407-D411 WeakPolarHBondContact O-CB 3.21Å; K407-D411 VanDerWaalsContact O-CG 3.26Å; K407-D411 PolarHBondContact O-N 3.33Å; A408-D411 PolarHBondContact O-N 3.27Å; V409-D411 VanDerWaalsContact C-N 3.33Å; V409-D411 PolarHBondContact O-N 3.15Å; D411-L415 PolarHBondContact O-N 3.2Å; D411-K538 HydrophobicContact CB-CD 4.41Å; D411-K538 WeakPolarHBondContact OD1-CE 3.12Å; D411-K538 IonicContact OD1-NZ 3.52Å; D411-K538 PolarHBondContact OD1-NZ 3.17Å; D411-R541 IonicContact OD2-CZ 3.62Å; D411-R541 IonicContact OD2-NH1 2.63Å; D411-R541 PolarHBondContact OD2-NH1 2.8Å; D411-R541 IonicContact OD2-NH2 2.8Å; D411-Y542 PolarHBondContact O-OH 3.33Å |
| 412 | W | 89.5 | Confident | 90.5 | Very high | 118 Ų | 118 | 45.9 Ų | 45.9 | 45% | 0.447 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.8 | -39.8 | 168.8 | -78.9 | 109.2 | 0 | 0 | 0 | 113 | A408 V409 W410 L415 L416 Y542 A548 | A408-W412 VanDerWaalsContact O-CD1 3.24Å; A408-W412 PolarHBondContact O-N 3.2Å; V409-W412 PolarHBondContact O-N 3.05Å; W410-W412 VanDerWaalsContact C-N 3.33Å; W410-W412 PolarHBondContact O-N 3.14Å; W412-L415 HydrophobicContact CE3-CD2 3.75Å; W412-L415 HydrophobicContact CZ3-CD2 3.65Å; W412-L415 WeakPolarHBondContact O-CB 3.46Å; W412-L415 PolarHBondContact O-N 3.14Å; W412-L416 PolarHBondContact O-N 2.79Å; W412-Y542 HydrophobicContact CD2-CE1 4.48Å; W412-Y542 HydrophobicContact CH2-CD1 4.09Å; W412-Y542 HydrophobicContact CH2-CE1 4.35Å; W412-Y542 HydrophobicContact CZ2-CD1 4.1Å; W412-Y542 HydrophobicContact CZ2-CE1 4.25Å; W412-A548 HydrophobicContact CH2-CB 4.21Å |
| 413 | L | 92.3 | Very high | 90.7 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 38% | 0.377 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 175.5 | 178.5 | 142.9 | 0 | 0 | 0 | 111.4 | V409 W410 L416 L417 M462 | V409-L413 PolarHBondContact O-N 3.37Å; W410-L413 PolarHBondContact O-N 3.38Å; L413-L416 PolarHBondContact O-N 2.75Å; L413-L417 HydrophobicContact CD2-CD1 3.6Å; L413-L417 HydrophobicContact CD2-CG 4.49Å; L413-L417 HydrophobicContact CG-CD1 4.44Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 3.49Å; L413-M462 HydrophobicContact CD2-CE 3.53Å |
| 414 | I | 91.7 | Very high | 91 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 172.4 | -66.2 | -69 | 0 | 0 | 0 | 111.3 | W410 L416 L417 V418 F463 D466 | W410-I414 HydrophobicContact CZ2-CD1 4.22Å; W410-I414 WeakPolarHBondContact O-CG1 3.33Å; W410-I414 PolarHBondContact O-N 3.39Å; I414-L416 VanDerWaalsContact C-N 3.34Å; I414-L416 PolarHBondContact O-N 3.27Å; I414-L417 HydrophobicContact CD1-CD1 4.16Å; I414-L417 PolarHBondContact O-N 2.89Å; I414-V418 HydrophobicContact CG2-CG2 4.34Å; I414-V418 VanDerWaalsContact O-CG2 3.28Å; I414-V418 WeakPolarHBondContact O-CG2 3.5Å; I414-V418 PolarHBondContact O-N 3.16Å; I414-F463 HydrophobicContact CG2-CE1 4.14Å; I414-D466 HydrophobicContact CD1-CB 3.73Å; I414-D466 HydrophobicContact CG1-CB 4.37Å |
| 415 | L | 89.6 | Confident | 91.1 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 173.8 | 178.6 | 63.7 | 0 | 0 | 0 | 111.8 | D411 W412 V418 I419 V535 Y542 L552 | D411-L415 PolarHBondContact O-N 3.2Å; W412-L415 HydrophobicContact CE3-CD2 3.75Å; W412-L415 HydrophobicContact CZ3-CD2 3.65Å; W412-L415 WeakPolarHBondContact O-CB 3.46Å; W412-L415 PolarHBondContact O-N 3.14Å; L415-V418 PolarHBondContact O-N 3.43Å; L415-I419 HydrophobicContact CD1-CD1 4.3Å; L415-I419 HydrophobicContact CG-CD1 4.11Å; L415-I419 WeakPolarHBondContact O-CG1 3.32Å; L415-I419 PolarHBondContact O-N 3.31Å; L415-V535 HydrophobicContact CD1-CB 4.36Å; L415-V535 HydrophobicContact CD1-CG1 3.82Å; L415-V535 HydrophobicContact CD1-CG2 3.65Å; L415-Y542 HydrophobicContact CD1-CE2 4.38Å; L415-Y542 HydrophobicContact CD2-CE1 4.25Å; L415-Y542 HydrophobicContact CD2-CE2 4.2Å; L415-L552 HydrophobicContact CD1-CD2 4.32Å; L415-L552 HydrophobicContact CD2-CD2 4.21Å |
| 416 | L | 91.3 | Very high | 91.2 | Very high | 122 Ų | 122 | 41.2 Ų | 41.2 | 64% | 0.639 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -61.7 | -43.8 | 176.3 | -178.6 | 63.1 | 0 | 0 | 0 | 112 | W412 L413 I414 V418 I419 Y420 | W412-L416 PolarHBondContact O-N 2.79Å; L413-L416 PolarHBondContact O-N 2.75Å; I414-L416 VanDerWaalsContact C-N 3.34Å; I414-L416 PolarHBondContact O-N 3.27Å; L416-V418 VanDerWaalsContact C-N 3.33Å; L416-V418 PolarHBondContact O-N 3.3Å; L416-I419 PolarHBondContact O-N 3.23Å; L416-Y420 PolarHBondContact O-N 3.49Å |
| 417 | L | 92.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 16% | 0.157 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -35.7 | 175.7 | -69.5 | 167.5 | 0 | 0 | 0 | 112.5 | L413 I414 Y420 T421 V459 M462 F463 | L413-L417 HydrophobicContact CD2-CD1 3.6Å; L413-L417 HydrophobicContact CD2-CG 4.49Å; L413-L417 HydrophobicContact CG-CD1 4.44Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 3.49Å; I414-L417 HydrophobicContact CD1-CD1 4.16Å; I414-L417 PolarHBondContact O-N 2.89Å; L417-Y420 WeakPolarHBondContact O-CB 3.41Å; L417-Y420 PolarHBondContact O-N 2.84Å; L417-T421 WeakPolarHBondContact O-CG2 3.34Å; L417-T421 PolarHBondContact O-N 3.37Å; L417-T421 PolarHBondContact O-OG1 3.28Å; L417-V459 HydrophobicContact CD2-CG1 4.36Å; L417-V459 HydrophobicContact CD2-CG2 3.88Å; L417-M462 HydrophobicContact CD1-CB 3.78Å; L417-M462 HydrophobicContact CD1-CE 4.46Å; L417-M462 HydrophobicContact CD1-CG 4.34Å; L417-F463 HydrophobicContact CB-CE2 4.12Å; L417-F463 HydrophobicContact CB-CZ 3.97Å |
| 418 | V | 92.6 | Very high | 91 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.2 | -44.3 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | I414 L415 L416 Y420 T421 A422 F463 R531 L532 R534 V535 | I414-V418 HydrophobicContact CG2-CG2 4.34Å; I414-V418 VanDerWaalsContact O-CG2 3.28Å; I414-V418 WeakPolarHBondContact O-CG2 3.5Å; I414-V418 PolarHBondContact O-N 3.16Å; L415-V418 PolarHBondContact O-N 3.43Å; L416-V418 VanDerWaalsContact C-N 3.33Å; L416-V418 PolarHBondContact O-N 3.3Å; V418-Y420 VanDerWaalsContact C-N 3.31Å; V418-Y420 PolarHBondContact O-N 3.49Å; V418-T421 WeakPolarHBondContact CA-OG1 3.33Å; V418-T421 PolarHBondContact O-N 3.05Å; V418-T421 VanDerWaalsContact O-N 3.16Å; V418-T421 PolarHBondContact O-OG1 2.93Å; V418-A422 WeakPolarHBondContact O-CB 3.38Å; V418-A422 PolarHBondContact O-N 2.98Å; V418-F463 HydrophobicContact CG2-CE1 3.71Å; V418-F463 HydrophobicContact CG2-CZ 3.64Å; V418-R531 HydrophobicContact CG1-CB 4.42Å; V418-R531 HydrophobicContact CG2-CB 4.27Å; V418-L532 HydrophobicContact CG1-CD2 3.79Å; V418-L532 HydrophobicContact CG1-CG 3.98Å; V418-R534 HydrophobicContact CG2-CB 4.45Å; V418-V535 HydrophobicContact CB-CG2 4.19Å; V418-V535 HydrophobicContact CG1-CG2 3.71Å |
| 419 | I | 91.7 | Very high | 90.8 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 18% | 0.179 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -42.6 | 176 | -67.1 | 164.5 | 0 | 0 | 0 | 110.5 | L415 L416 T421 A422 V423 | L415-I419 HydrophobicContact CD1-CD1 4.3Å; L415-I419 HydrophobicContact CG-CD1 4.11Å; L415-I419 WeakPolarHBondContact O-CG1 3.32Å; L415-I419 PolarHBondContact O-N 3.31Å; L416-I419 PolarHBondContact O-N 3.23Å; I419-T421 PolarHBondContact O-N 2.89Å; I419-A422 PolarHBondContact O-N 2.95Å; I419-V423 PolarHBondContact O-N 2.86Å; I419-V423 VanDerWaalsContact O-N 3.13Å |
| 420 | Y | 93.4 | Very high | 90.5 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 17% | 0.169 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.4 | -53.2 | 171.5 | 172.1 | -87.2 | 0 | 0 | 0 | 111.4 | L416 L417 V418 A422 V423 F424 V455 D456 V459 | L416-Y420 PolarHBondContact O-N 3.49Å; L417-Y420 WeakPolarHBondContact O-CB 3.41Å; L417-Y420 PolarHBondContact O-N 2.84Å; V418-Y420 VanDerWaalsContact C-N 3.31Å; V418-Y420 PolarHBondContact O-N 3.49Å; Y420-A422 VanDerWaalsContact C-N 3.27Å; Y420-A422 PolarHBondContact O-N 3.17Å; Y420-V423 PolarHBondContact O-N 2.99Å; Y420-V423 VanDerWaalsContact O-N 3.12Å; Y420-F424 HydrophobicContact CD1-CD2 4.49Å; Y420-F424 AromaticContact CD2-CD2 3.39Å; Y420-F424 HydrophobicContact CD2-CD2 3.39Å; Y420-F424 AromaticContact CD2-CE2 3.55Å; Y420-F424 HydrophobicContact CD2-CE2 3.55Å; Y420-F424 HydrophobicContact CD2-CG 4.21Å; Y420-F424 HydrophobicContact CD2-CZ 4.47Å; Y420-F424 HydrophobicContact CE1-CB 4.22Å; Y420-F424 HydrophobicContact CE1-CD2 4.4Å; Y420-F424 HydrophobicContact CE1-CG 4.37Å; Y420-F424 HydrophobicContact CE2-CB 4.42Å; Y420-F424 HydrophobicContact CE2-CD1 4.22Å; Y420-F424 AromaticContact CE2-CD2 3.29Å; Y420-F424 HydrophobicContact CE2-CD2 3.29Å; Y420-F424 HydrophobicContact CE2-CE1 4.34Å; Y420-F424 AromaticContact CE2-CE2 3.45Å; Y420-F424 HydrophobicContact CE2-CE2 3.45Å; Y420-F424 VanDerWaalsContact CE2-CE2 3.45Å; Y420-F424 AromaticContact CE2-CG 3.71Å; Y420-F424 HydrophobicContact CE2-CG 3.71Å; Y420-F424 AromaticContact CE2-CZ 3.98Å; Y420-F424 HydrophobicContact CE2-CZ 3.98Å; Y420-F424 HydrophobicContact CG-CD2 4.01Å; Y420-F424 AromaticContact CZ-CD2 3.83Å; Y420-F424 AromaticContact CZ-CG 3.79Å; Y420-F424 WeakPolarHBondContact O-CD2 3.5Å; Y420-F424 PolarHBondContact O-N 3.02Å; Y420-V455 HydrophobicContact CE1-CG1 4.4Å; Y420-V455 HydrophobicContact CE2-CG1 4.1Å; Y420-V455 WeakPolarHBondContact OH-CG1 3.5Å; Y420-D456 VanDerWaalsContact CE1-OD1 3.23Å; Y420-D456 WeakPolarHBondContact CE1-OD1 3.3Å; Y420-D456 PolarHBondContact OH-OD1 2.8Å; Y420-V459 HydrophobicContact CD1-CG1 4.3Å; Y420-V459 HydrophobicContact CD1-CG2 3.87Å; Y420-V459 HydrophobicContact CE1-CG2 3.82Å |
| 421 | T | 92.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -35 | 179.6 | 55.3 | 0 | 0 | 0 | 0 | 113 | L417 V418 I419 V423 T425 V459 F463 | L417-T421 WeakPolarHBondContact O-CG2 3.34Å; L417-T421 PolarHBondContact O-N 3.37Å; L417-T421 PolarHBondContact O-OG1 3.28Å; V418-T421 WeakPolarHBondContact CA-OG1 3.33Å; V418-T421 PolarHBondContact O-N 3.05Å; V418-T421 VanDerWaalsContact O-N 3.16Å; V418-T421 PolarHBondContact O-OG1 2.93Å; I419-T421 PolarHBondContact O-N 2.89Å; T421-V423 VanDerWaalsContact C-N 3.28Å; T421-V423 PolarHBondContact O-N 2.97Å; T421-T425 WeakPolarHBondContact O-CB 3.48Å; T421-T425 PolarHBondContact O-N 2.7Å; T421-T425 PolarHBondContact O-OG1 2.71Å; T421-T425 VanDerWaalsContact O-OG1 3.13Å; T421-V459 HydrophobicContact CG2-CG1 3.68Å; T421-F463 HydrophobicContact CG2-CE2 4.03Å |
| 422 | A | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.8 | -22.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V418 I419 Y420 P426 L532 L559 W563 | V418-A422 WeakPolarHBondContact O-CB 3.38Å; V418-A422 PolarHBondContact O-N 2.98Å; I419-A422 PolarHBondContact O-N 2.95Å; Y420-A422 VanDerWaalsContact C-N 3.27Å; Y420-A422 PolarHBondContact O-N 3.17Å; A422-P426 WeakPolarHBondContact O-CD 3.21Å; A422-L532 HydrophobicContact CB-CD1 3.93Å; A422-L532 HydrophobicContact CB-CD2 3.91Å; A422-L532 HydrophobicContact CB-CG 4.19Å; A422-L559 HydrophobicContact CB-CD1 4.36Å; A422-L559 HydrophobicContact CB-CD2 3.75Å; A422-W563 HydrophobicContact CB-CZ2 4.35Å; A422-W563 PolarHBondContact O-NE1 3.24Å |
| 423 | V | 93.2 | Very high | 88.1 | Confident | 43 Ų | 43 | 33.6 Ų | 33.6 | 26% | 0.261 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -90.9 | -54 | 172 | 177 | 0 | 0 | 0 | 0 | 110.9 | I419 Y420 T421 P426 Y427 L559 H562 | I419-V423 PolarHBondContact O-N 2.86Å; I419-V423 VanDerWaalsContact O-N 3.13Å; Y420-V423 PolarHBondContact O-N 2.99Å; Y420-V423 VanDerWaalsContact O-N 3.12Å; T421-V423 VanDerWaalsContact C-N 3.28Å; T421-V423 PolarHBondContact O-N 2.97Å; V423-P426 WeakPolarHBondContact O-CD 3.46Å; V423-Y427 WeakPolarHBondContact O-CB 3.36Å; V423-Y427 PolarHBondContact O-N 3.46Å; V423-L559 HydrophobicContact CG2-CD2 3.61Å; V423-H562 WeakPolarHBondContact CA-NE2 3.31Å; V423-H562 PolarHBondContact O-NE2 2.94Å |
| 424 | F | 90.8 | Very high | 86.3 | Confident | 74 Ų | 74 | 34.4 Ų | 34.4 | 33% | 0.325 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -74.6 | -32.8 | -169.6 | -78.9 | -93.2 | 0 | 0 | 0 | 113.7 | Y420 Y427 S428 L452 | Y420-F424 HydrophobicContact CD1-CD2 4.49Å; Y420-F424 AromaticContact CD2-CD2 3.39Å; Y420-F424 HydrophobicContact CD2-CD2 3.39Å; Y420-F424 AromaticContact CD2-CE2 3.55Å; Y420-F424 HydrophobicContact CD2-CE2 3.55Å; Y420-F424 HydrophobicContact CD2-CG 4.21Å; Y420-F424 HydrophobicContact CD2-CZ 4.47Å; Y420-F424 HydrophobicContact CE1-CB 4.22Å; Y420-F424 HydrophobicContact CE1-CD2 4.4Å; Y420-F424 HydrophobicContact CE1-CG 4.37Å; Y420-F424 HydrophobicContact CE2-CB 4.42Å; Y420-F424 HydrophobicContact CE2-CD1 4.22Å; Y420-F424 AromaticContact CE2-CD2 3.29Å; Y420-F424 HydrophobicContact CE2-CD2 3.29Å; Y420-F424 HydrophobicContact CE2-CE1 4.34Å; Y420-F424 AromaticContact CE2-CE2 3.45Å; Y420-F424 HydrophobicContact CE2-CE2 3.45Å; Y420-F424 VanDerWaalsContact CE2-CE2 3.45Å; Y420-F424 AromaticContact CE2-CG 3.71Å; Y420-F424 HydrophobicContact CE2-CG 3.71Å; Y420-F424 AromaticContact CE2-CZ 3.98Å; Y420-F424 HydrophobicContact CE2-CZ 3.98Å; Y420-F424 HydrophobicContact CG-CD2 4.01Å; Y420-F424 AromaticContact CZ-CD2 3.83Å; Y420-F424 AromaticContact CZ-CG 3.79Å; Y420-F424 WeakPolarHBondContact O-CD2 3.5Å; Y420-F424 PolarHBondContact O-N 3.02Å; F424-Y427 PolarHBondContact O-N 3.34Å; F424-S428 WeakPolarHBondContact O-CB 3.36Å; F424-S428 PolarHBondContact O-N 2.94Å; F424-S428 PolarHBondContact O-OG 2.91Å; F424-L452 HydrophobicContact CD1-CD1 3.91Å; F424-L452 HydrophobicContact CE1-CD1 4.03Å |
| 425 | T | 89.3 | Confident | 84.4 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -53.9 | 178.9 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | T421 Y427 S428 A429 K525 R528 | T421-T425 WeakPolarHBondContact O-CB 3.48Å; T421-T425 PolarHBondContact O-N 2.7Å; T421-T425 PolarHBondContact O-OG1 2.71Å; T421-T425 VanDerWaalsContact O-OG1 3.13Å; T425-Y427 VanDerWaalsContact C-N 3.31Å; T425-Y427 PolarHBondContact O-N 2.99Å; T425-S428 PolarHBondContact O-N 3Å; T425-S428 PolarHBondContact O-OG 2.89Å; T425-A429 PolarHBondContact O-N 3.05Å; T425-K525 WeakPolarHBondContact CG2-O 3.31Å; T425-R528 HydrophobicContact CG2-CB 4.13Å |
| 426 | P | 91.1 | Very high | 82.3 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 176.4 | -24.5 | 35.9 | 0 | 0 | 0 | 113.4 | A422 V423 A429 A430 L529 C566 | A422-P426 WeakPolarHBondContact O-CD 3.21Å; V423-P426 WeakPolarHBondContact O-CD 3.46Å; P426-A429 PolarHBondContact O-N 2.87Å; P426-A430 WeakPolarHBondContact O-CB 3.5Å; P426-A430 PolarHBondContact O-N 3.21Å; P426-L529 HydrophobicContact CG-CD1 4.42Å; P426-L529 HydrophobicContact CG-CD2 3.99Å; P426-C566 HydrophobicContact CB-CB 4.29Å |
| 427 | Y | 90.5 | Very high | 80.2 | Confident | 56 Ų | 56 | 46 Ų | 46 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -47.2 | 175.9 | 178.5 | -102 | 0 | 0 | 0 | 111.7 | V423 F424 T425 A429 A430 F431 L432 H562 Y611 | V423-Y427 WeakPolarHBondContact O-CB 3.36Å; V423-Y427 PolarHBondContact O-N 3.46Å; F424-Y427 PolarHBondContact O-N 3.34Å; T425-Y427 VanDerWaalsContact C-N 3.31Å; T425-Y427 PolarHBondContact O-N 2.99Å; Y427-A429 PolarHBondContact O-N 3.04Å; Y427-A430 PolarHBondContact O-N 2.68Å; Y427-F431 HydrophobicContact CD2-CB 4.35Å; Y427-F431 AromaticContact CD2-CD2 3.57Å; Y427-F431 HydrophobicContact CD2-CD2 3.57Å; Y427-F431 HydrophobicContact CD2-CE2 4.14Å; Y427-F431 HydrophobicContact CD2-CG 4.12Å; Y427-F431 HydrophobicContact CE2-CB 4.06Å; Y427-F431 AromaticContact CE2-CD2 3.85Å; Y427-F431 HydrophobicContact CE2-CD2 3.85Å; Y427-F431 HydrophobicContact CE2-CE2 4.49Å; Y427-F431 AromaticContact CE2-CG 3.94Å; Y427-F431 HydrophobicContact CE2-CG 3.94Å; Y427-F431 HydrophobicContact CG-CD2 4.39Å; Y427-F431 WeakPolarHBondContact O-CB 3.44Å; Y427-F431 PolarHBondContact O-N 3.49Å; Y427-L432 HydrophobicContact CD1-CD1 4.22Å; Y427-L432 HydrophobicContact CE1-CD1 3.9Å; Y427-L432 HydrophobicContact CE1-CG 4.3Å; Y427-H562 WeakPolarHBondContact CB-CE1 3.49Å; Y427-H562 AromaticContact CD2-CE1 3.67Å; Y427-H562 AromaticContact CG-CE1 3.87Å; Y427-H562 PolarHBondContact N-NE2 2.83Å; Y427-Y611 AromaticContact CD2-CD2 3.93Å; Y427-Y611 HydrophobicContact CD2-CD2 3.93Å; Y427-Y611 HydrophobicContact CD2-CE2 4.05Å; Y427-Y611 AromaticContact CE2-CD2 3.99Å; Y427-Y611 HydrophobicContact CE2-CD2 3.99Å; Y427-Y611 HydrophobicContact CE2-CE2 4.44Å; Y427-Y611 HydrophobicContact CE2-CG 4.19Å |
| 428 | S | 85.3 | Confident | 77.9 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -64.9 | -40 | 179 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | F424 T425 L432 L433 | F424-S428 WeakPolarHBondContact O-CB 3.36Å; F424-S428 PolarHBondContact O-N 2.94Å; F424-S428 PolarHBondContact O-OG 2.91Å; T425-S428 PolarHBondContact O-N 3Å; T425-S428 PolarHBondContact O-OG 2.89Å; S428-L432 PolarHBondContact O-N 2.9Å; S428-L433 PolarHBondContact O-N 3.05Å |
| 429 | A | 83.8 | Confident | 75.2 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -67.1 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T425 P426 Y427 L433 | T425-A429 PolarHBondContact O-N 3.05Å; P426-A429 PolarHBondContact O-N 2.87Å; Y427-A429 PolarHBondContact O-N 3.04Å; A429-L433 WeakPolarHBondContact O-CD1 3.35Å |
| 430 | A | 85.6 | Confident | 72.6 | Confident | 27 Ų | 27 | 57.7 Ų | 57.7 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -84.9 | -36.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P426 Y427 C566 Y569 | P426-A430 WeakPolarHBondContact O-CB 3.5Å; P426-A430 PolarHBondContact O-N 3.21Å; Y427-A430 PolarHBondContact O-N 2.68Å; A430-C566 HydrophobicContact CB-CB 3.91Å; A430-Y569 WeakPolarHBondContact O-CD1 3.29Å; A430-Y569 VanDerWaalsContact O-CE1 3.3Å; A430-Y569 WeakPolarHBondContact O-CE1 3.3Å |
| 431 | F | 83.2 | Confident | 70.2 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -109.5 | -26.7 | -170.2 | -67.1 | -90.9 | 0 | 0 | 0 | 114.9 | Y427 Y569 I607 K610 Y611 | Y427-F431 HydrophobicContact CD2-CB 4.35Å; Y427-F431 AromaticContact CD2-CD2 3.57Å; Y427-F431 HydrophobicContact CD2-CD2 3.57Å; Y427-F431 HydrophobicContact CD2-CE2 4.14Å; Y427-F431 HydrophobicContact CD2-CG 4.12Å; Y427-F431 HydrophobicContact CE2-CB 4.06Å; Y427-F431 AromaticContact CE2-CD2 3.85Å; Y427-F431 HydrophobicContact CE2-CD2 3.85Å; Y427-F431 HydrophobicContact CE2-CE2 4.49Å; Y427-F431 AromaticContact CE2-CG 3.94Å; Y427-F431 HydrophobicContact CE2-CG 3.94Å; Y427-F431 HydrophobicContact CG-CD2 4.39Å; Y427-F431 WeakPolarHBondContact O-CB 3.44Å; Y427-F431 PolarHBondContact O-N 3.49Å; F431-Y569 AromaticContact CD1-CD1 3.52Å; F431-Y569 HydrophobicContact CD1-CD1 3.52Å; F431-Y569 HydrophobicContact CD1-CD2 4.41Å; F431-Y569 AromaticContact CD1-CE1 3.51Å; F431-Y569 HydrophobicContact CD1-CE1 3.51Å; F431-Y569 HydrophobicContact CD1-CE2 4.42Å; F431-Y569 AromaticContact CD1-CG 3.99Å; F431-Y569 HydrophobicContact CD1-CG 3.99Å; F431-Y569 AromaticContact CD1-CZ 3.99Å; F431-Y569 HydrophobicContact CD2-CD1 4.3Å; F431-Y569 AromaticContact CE1-CD1 3.35Å; F431-Y569 HydrophobicContact CE1-CD1 3.35Å; F431-Y569 AromaticContact CE1-CD2 3.71Å; F431-Y569 HydrophobicContact CE1-CD2 3.71Å; F431-Y569 AromaticContact CE1-CE1 3.76Å; F431-Y569 HydrophobicContact CE1-CE1 3.76Å; F431-Y569 HydrophobicContact CE1-CE2 4.09Å; F431-Y569 AromaticContact CE1-CG 3.32Å; F431-Y569 HydrophobicContact CE1-CG 3.32Å; F431-Y569 HydrophobicContact CE2-CD1 4.16Å; F431-Y569 HydrophobicContact CE2-CG 4.36Å; F431-Y569 HydrophobicContact CG-CD1 4.01Å; F431-Y569 HydrophobicContact CG-CE1 4.11Å; F431-Y569 AromaticContact CZ-CD1 3.7Å; F431-Y569 HydrophobicContact CZ-CD1 3.7Å; F431-Y569 HydrophobicContact CZ-CD2 4.27Å; F431-Y569 AromaticContact CZ-CG 3.54Å; F431-Y569 HydrophobicContact CZ-CG 3.54Å; F431-I607 HydrophobicContact CB-CG2 4.31Å; F431-I607 HydrophobicContact CD1-CG2 4.11Å; F431-K610 HydrophobicContact CE1-CB 4.37Å; F431-Y611 AromaticContact CE2-CD2 3.81Å; F431-Y611 HydrophobicContact CE2-CD2 3.81Å; F431-Y611 AromaticContact CZ-CD2 3.82Å; F431-Y611 HydrophobicContact CZ-CD2 3.82Å; F431-Y611 HydrophobicContact CZ-CG 4.43Å |
| 432 | L | 74.2 | Confident | 67.6 | Low | 52 Ų | 52 | 66.4 Ų | 66.4 | 27% | 0.272 | 38% | 0.382 | S | S | . | . | I | π-helix | trans | -106.1 | -17.6 | -169.3 | -72.1 | 169.8 | 0 | 0 | 0 | 115.2 | Y427 S428 K434 L452 | Y427-L432 HydrophobicContact CD1-CD1 4.22Å; Y427-L432 HydrophobicContact CE1-CD1 3.9Å; Y427-L432 HydrophobicContact CE1-CG 4.3Å; S428-L432 PolarHBondContact O-N 2.9Å; L432-K434 VanDerWaalsContact C-N 3.28Å; L432-K434 PolarHBondContact O-N 2.8Å; L432-L452 HydrophobicContact CD1-CD2 4.14Å |
| 433 | L | 64.1 | Low | 65.2 | Low | 61 Ų | 61 | 72.6 Ų | 72.6 | 32% | 0.319 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -60.4 | -37 | 179.3 | -70 | 179.7 | 0 | 0 | 0 | 112.6 | S428 A429 T436 | S428-L433 PolarHBondContact O-N 3.05Å; A429-L433 WeakPolarHBondContact O-CD1 3.35Å; L433-T436 PolarHBondContact O-OG1 3.22Å |
| 434 | K | 54.5 | Low | 63.1 | Low | 90 Ų | 90 | 79.8 Ų | 79.8 | 39% | 0.391 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -77.9 | -23.7 | -173 | -157.8 | -179.3 | -173.9 | -177.2 | 0 | 115.2 | L432 T436 N573 | L432-K434 VanDerWaalsContact C-N 3.28Å; L432-K434 PolarHBondContact O-N 2.8Å; K434-T436 PolarHBondContact O-N 2.9Å; K434-N573 PolarHBondContact NZ-OD1 3.1Å |
| 435 | E | 49.9 | Very low | 61 | Low | 119 Ų | 119 | 80.7 Ų | 80.7 | 56% | 0.556 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -68.7 | -15.6 | 178.7 | -74.2 | -167 | 131 | 0 | 0 | 113 | I607 | E435-I607 HydrophobicContact CG-CD1 4.01Å; E435-I607 WeakPolarHBondContact OE1-CD1 3.48Å |
| 436 | T | 47.1 | Very low | 59.1 | Low | 93 Ų | 93 | 83 Ų | 83 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -73.6 | -28 | -178.3 | -34.6 | 0 | 0 | 0 | 0 | 113.1 | L433 K434 | L433-T436 PolarHBondContact O-OG1 3.22Å; K434-T436 PolarHBondContact O-N 2.9Å |
| 437 | E | 46.7 | Very low | 57.2 | Low | 161 Ų | 161 | 86.7 Ų | 86.7 | 75% | 0.752 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -32 | -178.6 | -69.9 | -169.7 | 107 | 0 | 0 | 113.9 | ||
| 438 | E | 43 | Very low | 55.2 | Low | 151 Ų | 151 | 88.3 Ų | 88.3 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -94.1 | -1.9 | -167.8 | -64.5 | -177.3 | -164.3 | 0 | 0 | 113.9 | ||
| 439 | G | 37.8 | Very low | 53.8 | Low | 45 Ų | 45 | 90.4 Ų | 90.4 | 46% | 0.464 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -91 | 140 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 440 | P | 37.2 | Very low | 53.2 | Low | 117 Ų | 117 | 95.1 Ų | 95.1 | 76% | 0.76 | 56% | 0.558 | S | S | * | * | trans | -64 | 144 | 169.9 | 28.7 | -34.3 | 0 | 0 | 0 | 110.2 | A442 | P440-A442 PolarHBondContact O-N 3.14Š| ||
| 441 | P | 41.8 | Very low | 53.1 | Low | 134 Ų | 134 | 98.5 Ų | 98.5 | 87% | 0.87 | 58% | 0.577 | S | S | * | * | trans | -66.8 | 96.4 | -172.5 | 26.1 | -34.9 | 0 | 0 | 0 | 111.7 | ||||
| 442 | A | 38.7 | Very low | 52.9 | Low | 95 Ų | 95 | 101.1 Ų | 101.1 | 79% | 0.785 | 59% | 0.592 | S | S | * | * | trans | -70.4 | 129.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P440 E444 | P440-A442 PolarHBondContact O-N 3.14Å; A442-E444 PolarHBondContact O-N 3.37Å | ||
| 443 | T | 42.2 | Very low | 53.2 | Low | 130 Ų | 130 | 100 Ų | 100 | 80% | 0.798 | 59% | 0.59 | S | S | * | * | trans | -57.8 | 118.6 | -168.5 | -32.2 | 0 | 0 | 0 | 0 | 113.5 | C445 | T443-C445 VanDerWaalsContact C-N 3.34Å; T443-C445 PolarHBondContact O-N 2.99Å | ||
| 444 | E | 48.5 | Very low | 54.3 | Low | 193 Ų | 193 | 99.9 Ų | 99.9 | 90% | 0.902 | 59% | 0.592 | S | S | * | * | trans | 26 | 53.5 | 160.9 | -61.1 | -167.9 | 136.8 | 0 | 0 | 118.1 | A442 | A442-E444 PolarHBondContact O-N 3.37Š| ||
| 445 | C | 46.2 | Very low | 55.9 | Low | 93 Ų | 93 | 98.6 Ų | 98.6 | 63% | 0.628 | 59% | 0.591 | S | S | * | * | trans | -95.3 | 94.1 | 167.1 | -142.4 | 0 | 0 | 0 | 0 | 109.3 | T443 C449 | T443-C445 VanDerWaalsContact C-N 3.34Å; T443-C445 PolarHBondContact O-N 2.99Å; C445-C449 VanDerWaalsContact C-SG 3.57Å; C445-C449 VanDerWaalsContact CA-SG 3.53Å; C445-C449 HydrophobicContact CB-CB 3.78Å; C445-C449 WeakPolarHBondContact CB-SG 3.48Å; C445-C449 WeakPolarHBondContact SG-CB 3.39Å; C445-C449 CovalentContact SG-SG 2.04Å; C445-C449 PolarHBondContact SG-SG 2.86Å | ||
| 446 | G | 50.5 | Low | 57.7 | Low | 51 Ų | 51 | 93.8 Ų | 93.8 | 53% | 0.526 | 57% | 0.569 | S | S | . | * | trans | -62.2 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A448 C449 | G446-A448 PolarHBondContact O-N 3.03Å; G446-C449 PolarHBondContact O-N 3.41Å; G446-C449 PolarHBondContact O-SG 2.85Å; G446-C449 VanDerWaalsContact O-SG 3.36Å | ||
| 447 | Y | 50 | Low | 59.5 | Low | 94 Ų | 94 | 92.9 Ų | 92.9 | 37% | 0.369 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -38.7 | -28.8 | -173.3 | -101.7 | -79.2 | 0 | 0 | 0 | 118 | C449 A453 D509 F513 | Y447-C449 PolarHBondContact O-N 2.98Å; Y447-A453 HydrophobicContact CD1-CB 4.18Å; Y447-A453 HydrophobicContact CE1-CB 4.28Å; Y447-D509 PolarHBondContact OH-O 2.94Å; Y447-F513 HydrophobicContact CD2-CD2 4.49Å; Y447-F513 HydrophobicContact CD2-CE2 4.13Å; Y447-F513 AromaticContact CE2-CD2 3.56Å; Y447-F513 HydrophobicContact CE2-CD2 3.56Å; Y447-F513 AromaticContact CE2-CE2 3.52Å; Y447-F513 HydrophobicContact CE2-CE2 3.52Å; Y447-F513 HydrophobicContact CE2-CG 4.39Å; Y447-F513 HydrophobicContact CE2-CZ 4.33Å |
| 448 | A | 49 | Very low | 61.6 | Low | 91 Ų | 91 | 89.8 Ų | 89.8 | 75% | 0.752 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -65.1 | -19.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G446 | G446-A448 PolarHBondContact O-N 3.03Š|
| 449 | C | 56.4 | Low | 64 | Low | 66 Ų | 66 | 82.9 Ų | 82.9 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -80.5 | -23 | -174.6 | -56.4 | 0 | 0 | 0 | 0 | 114.3 | C445 G446 Y447 P451 | C445-C449 VanDerWaalsContact C-SG 3.57Å; C445-C449 VanDerWaalsContact CA-SG 3.53Å; C445-C449 HydrophobicContact CB-CB 3.78Å; C445-C449 WeakPolarHBondContact CB-SG 3.48Å; C445-C449 WeakPolarHBondContact SG-CB 3.39Å; C445-C449 CovalentContact SG-SG 2.04Å; C445-C449 PolarHBondContact SG-SG 2.86Å; G446-C449 PolarHBondContact O-N 3.41Å; G446-C449 PolarHBondContact O-SG 2.85Å; G446-C449 VanDerWaalsContact O-SG 3.36Å; Y447-C449 PolarHBondContact O-N 2.98Å; C449-P451 WeakPolarHBondContact O-CD 3.47Å |
| 450 | Q | 71.8 | Confident | 66.5 | Low | 129 Ų | 129 | 80.9 Ų | 80.9 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | trans | -103.5 | 101.7 | -175.3 | -167.2 | 72.3 | -24.9 | 0 | 0 | 110.6 | L452 A453 V454 | Q450-L452 VanDerWaalsContact C-N 3.26Å; Q450-L452 PolarHBondContact O-N 3.41Å; Q450-L452 VanDerWaalsContact O-N 3.14Å; Q450-A453 HydrophobicContact CB-CB 4.31Å; Q450-A453 HydrophobicContact CG-CB 4.47Å; Q450-A453 PolarHBondContact O-N 3.34Å; Q450-A453 VanDerWaalsContact O-N 3.08Å; Q450-V454 PolarHBondContact O-N 3.36Å | ||
| 451 | P | 82 | Confident | 69.1 | Low | 97 Ų | 97 | 79.5 Ų | 79.5 | 63% | 0.63 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.1 | -28.5 | -168.4 | 22.9 | -33.6 | 0 | 0 | 0 | 113.8 | C449 V454 V455 | C449-P451 WeakPolarHBondContact O-CD 3.47Å; P451-V454 PolarHBondContact O-N 3.11Å; P451-V455 WeakPolarHBondContact O-CG2 3.29Å; P451-V455 PolarHBondContact O-N 2.9Å |
| 452 | L | 80.5 | Confident | 71.5 | Confident | 62 Ų | 62 | 75.3 Ų | 75.3 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 176 | -174.6 | 63 | 0 | 0 | 0 | 112.3 | F424 L432 Q450 V454 V455 D456 | F424-L452 HydrophobicContact CD1-CD1 3.91Å; F424-L452 HydrophobicContact CE1-CD1 4.03Å; L432-L452 HydrophobicContact CD1-CD2 4.14Å; Q450-L452 VanDerWaalsContact C-N 3.26Å; Q450-L452 PolarHBondContact O-N 3.41Å; Q450-L452 VanDerWaalsContact O-N 3.14Å; L452-V454 VanDerWaalsContact C-N 3.31Å; L452-V454 PolarHBondContact O-N 3.18Å; L452-V455 PolarHBondContact O-N 2.92Å; L452-D456 PolarHBondContact O-N 3.42Å |
| 453 | A | 80.1 | Confident | 74.1 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 24% | 0.24 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y447 Q450 D456 L457 | Y447-A453 HydrophobicContact CD1-CB 4.18Å; Y447-A453 HydrophobicContact CE1-CB 4.28Å; Q450-A453 HydrophobicContact CB-CB 4.31Å; Q450-A453 HydrophobicContact CG-CB 4.47Å; Q450-A453 PolarHBondContact O-N 3.34Å; Q450-A453 VanDerWaalsContact O-N 3.08Å; A453-D456 PolarHBondContact O-N 3.1Å; A453-L457 WeakPolarHBondContact O-CB 3.31Å; A453-L457 PolarHBondContact O-N 2.93Å |
| 454 | V | 85.9 | Confident | 76.5 | Confident | 58 Ų | 58 | 68 Ų | 68 | 35% | 0.352 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 173.2 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | Q450 P451 L452 I458 | Q450-V454 PolarHBondContact O-N 3.36Å; P451-V454 PolarHBondContact O-N 3.11Å; L452-V454 VanDerWaalsContact C-N 3.31Å; L452-V454 PolarHBondContact O-N 3.18Å; V454-I458 HydrophobicContact CG1-CD1 4.14Å; V454-I458 WeakPolarHBondContact O-CD1 3.34Å; V454-I458 VanDerWaalsContact O-CG1 3.29Å; V454-I458 WeakPolarHBondContact O-CG1 3.45Å; V454-I458 PolarHBondContact O-N 2.73Å; V454-I458 VanDerWaalsContact O-N 3.11Å |
| 455 | V | 88.7 | Confident | 78.7 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 38% | 0.382 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 174.8 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | Y420 P451 L452 L457 I458 V459 | Y420-V455 HydrophobicContact CE1-CG1 4.4Å; Y420-V455 HydrophobicContact CE2-CG1 4.1Å; Y420-V455 WeakPolarHBondContact OH-CG1 3.5Å; P451-V455 WeakPolarHBondContact O-CG2 3.29Å; P451-V455 PolarHBondContact O-N 2.9Å; L452-V455 PolarHBondContact O-N 2.92Å; V455-L457 VanDerWaalsContact C-N 3.31Å; V455-L457 PolarHBondContact O-N 3.24Å; V455-I458 WeakPolarHBondContact O-CB 3.4Å; V455-I458 PolarHBondContact O-N 3.33Å; V455-I458 VanDerWaalsContact O-N 3.1Å; V455-V459 HydrophobicContact CG1-CG2 4.27Å; V455-V459 VanDerWaalsContact O-CG2 3.27Å; V455-V459 WeakPolarHBondContact O-CG2 3.37Å; V455-V459 PolarHBondContact O-N 3.45Å |
| 456 | D | 87.3 | Confident | 80.9 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 10% | 0.096 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 178.6 | -84 | 17.5 | 0 | 0 | 0 | 112.3 | Y420 L452 A453 V459 D460 R528 | Y420-D456 VanDerWaalsContact CE1-OD1 3.23Å; Y420-D456 WeakPolarHBondContact CE1-OD1 3.3Å; Y420-D456 PolarHBondContact OH-OD1 2.8Å; L452-D456 PolarHBondContact O-N 3.42Å; A453-D456 PolarHBondContact O-N 3.1Å; D456-V459 PolarHBondContact O-N 3.21Å; D456-D460 PolarHBondContact O-N 3.39Å; D456-R528 IonicContact OD2-NH1 2.74Å |
| 457 | L | 86.4 | Confident | 82.9 | Confident | 73 Ų | 73 | 55.2 Ų | 55.2 | 38% | 0.382 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 172.9 | -180 | 61.7 | 0 | 0 | 0 | 112.4 | A453 V455 V459 D460 I461 | A453-L457 WeakPolarHBondContact O-CB 3.31Å; A453-L457 PolarHBondContact O-N 2.93Å; V455-L457 VanDerWaalsContact C-N 3.31Å; V455-L457 PolarHBondContact O-N 3.24Å; L457-V459 VanDerWaalsContact C-N 3.33Å; L457-D460 PolarHBondContact O-N 2.82Å; L457-I461 HydrophobicContact CD1-CD1 4.34Å; L457-I461 HydrophobicContact CG-CD1 4.13Å; L457-I461 WeakPolarHBondContact O-CD1 3.21Å; L457-I461 VanDerWaalsContact O-CG1 3.27Å; L457-I461 WeakPolarHBondContact O-CG1 3.26Å; L457-I461 PolarHBondContact O-N 3.27Å |
| 458 | I | 90.6 | Very high | 84.9 | Confident | 97 Ų | 97 | 56 Ų | 56 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175 | -69.4 | 163.5 | 0 | 0 | 0 | 110.6 | V454 V455 I461 M462 | V454-I458 HydrophobicContact CG1-CD1 4.14Å; V454-I458 WeakPolarHBondContact O-CD1 3.34Å; V454-I458 VanDerWaalsContact O-CG1 3.29Å; V454-I458 WeakPolarHBondContact O-CG1 3.45Å; V454-I458 PolarHBondContact O-N 2.73Å; V454-I458 VanDerWaalsContact O-N 3.11Å; V455-I458 WeakPolarHBondContact O-CB 3.4Å; V455-I458 PolarHBondContact O-N 3.33Å; V455-I458 VanDerWaalsContact O-N 3.1Å; I458-I461 PolarHBondContact O-N 3.39Å; I458-M462 VanDerWaalsContact O-CG 3.3Å; I458-M462 WeakPolarHBondContact O-CG 3.2Å; I458-M462 PolarHBondContact O-N 3.43Å |
| 459 | V | 92.1 | Very high | 87 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L417 Y420 T421 V455 D456 L457 M462 F463 | L417-V459 HydrophobicContact CD2-CG1 4.36Å; L417-V459 HydrophobicContact CD2-CG2 3.88Å; Y420-V459 HydrophobicContact CD1-CG1 4.3Å; Y420-V459 HydrophobicContact CD1-CG2 3.87Å; Y420-V459 HydrophobicContact CE1-CG2 3.82Å; T421-V459 HydrophobicContact CG2-CG1 3.68Å; V455-V459 HydrophobicContact CG1-CG2 4.27Å; V455-V459 VanDerWaalsContact O-CG2 3.27Å; V455-V459 WeakPolarHBondContact O-CG2 3.37Å; V455-V459 PolarHBondContact O-N 3.45Å; D456-V459 PolarHBondContact O-N 3.21Å; L457-V459 VanDerWaalsContact C-N 3.33Å; V459-M462 PolarHBondContact O-N 2.8Å; V459-F463 HydrophobicContact CG1-CD2 3.93Å; V459-F463 HydrophobicContact CG1-CE2 3.6Å; V459-F463 WeakPolarHBondContact O-CD2 3.43Å; V459-F463 PolarHBondContact O-N 2.93Å; V459-F463 VanDerWaalsContact O-N 3.12Å |
| 460 | D | 90.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 176.5 | -78.4 | 8.8 | 0 | 0 | 0 | 112 | D456 L457 M462 F463 I464 P507 R528 R531 | D456-D460 PolarHBondContact O-N 3.39Å; L457-D460 PolarHBondContact O-N 2.82Å; D460-M462 VanDerWaalsContact C-N 3.3Å; D460-M462 PolarHBondContact O-N 2.89Å; D460-F463 PolarHBondContact O-N 3.36Å; D460-F463 VanDerWaalsContact O-N 3.14Å; D460-I464 WeakPolarHBondContact O-CG1 3.46Å; D460-I464 PolarHBondContact O-N 3.39Å; D460-I464 VanDerWaalsContact O-N 3.09Å; D460-P507 WeakPolarHBondContact OD2-CA 3.48Å; D460-R528 IonicContact OD1-CZ 3.69Å; D460-R528 IonicContact OD1-NE 2.69Å; D460-R528 PolarHBondContact OD1-NE 2.79Å; D460-R528 IonicContact OD1-NH2 2.75Å; D460-R528 IonicContact OD2-CZ 3.52Å; D460-R528 IonicContact OD2-NE 2.67Å; D460-R528 IonicContact OD2-NH2 2.79Å; D460-R528 PolarHBondContact OD2-NH2 2.84Å; D460-R531 IonicContact OD1-CZ 3.2Å; D460-R531 IonicContact OD1-NH1 3.24Å; D460-R531 PolarHBondContact OD1-NH1 2.79Å; D460-R531 IonicContact OD1-NH2 2.79Å; D460-R531 PolarHBondContact OD1-NH2 3.25Å; D460-R531 IonicContact OD2-NH2 3.72Å |
| 461 | I | 91.9 | Very high | 89.6 | Confident | 87 Ų | 87 | 46.2 Ų | 46.2 | 45% | 0.446 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 174.1 | -69.8 | 164.3 | 0 | 0 | 0 | 111.1 | L457 I458 F463 I464 V465 | L457-I461 HydrophobicContact CD1-CD1 4.34Å; L457-I461 HydrophobicContact CG-CD1 4.13Å; L457-I461 WeakPolarHBondContact O-CD1 3.21Å; L457-I461 VanDerWaalsContact O-CG1 3.27Å; L457-I461 WeakPolarHBondContact O-CG1 3.26Å; L457-I461 PolarHBondContact O-N 3.27Å; I458-I461 PolarHBondContact O-N 3.39Å; I461-F463 VanDerWaalsContact C-N 3.33Å; I461-F463 PolarHBondContact O-N 3.04Å; I461-I464 WeakPolarHBondContact O-CB 3.41Å; I461-I464 PolarHBondContact O-N 2.88Å; I461-V465 WeakPolarHBondContact O-CG2 3.16Å; I461-V465 PolarHBondContact O-N 3.33Å |
| 462 | M | 92.7 | Very high | 90 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 23% | 0.232 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -32.8 | 178.3 | -69.6 | -66.7 | -76.1 | 0 | 0 | 112.8 | W410 L413 L417 I458 V459 D460 V465 D466 | W410-M462 HydrophobicContact CH2-CE 3.41Å; W410-M462 VanDerWaalsContact CH2-CE 3.41Å; W410-M462 HydrophobicContact CH2-SD 4.14Å; W410-M462 HydrophobicContact CZ2-CE 4.21Å; W410-M462 HydrophobicContact CZ3-CE 3.81Å; L413-M462 HydrophobicContact CD2-CE 3.53Å; L417-M462 HydrophobicContact CD1-CB 3.78Å; L417-M462 HydrophobicContact CD1-CE 4.46Å; L417-M462 HydrophobicContact CD1-CG 4.34Å; I458-M462 VanDerWaalsContact O-CG 3.3Å; I458-M462 WeakPolarHBondContact O-CG 3.2Å; I458-M462 PolarHBondContact O-N 3.43Å; V459-M462 PolarHBondContact O-N 2.8Å; D460-M462 VanDerWaalsContact C-N 3.3Å; D460-M462 PolarHBondContact O-N 2.89Å; M462-V465 PolarHBondContact O-N 2.99Å; M462-D466 PolarHBondContact O-N 3.04Å |
| 463 | F | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.2 | -32.3 | 172.9 | -78.3 | -68.9 | 0 | 0 | 0 | 113.4 | I414 L417 V418 T421 V459 D460 I461 D466 I467 A505 R531 R534 | I414-F463 HydrophobicContact CG2-CE1 4.14Å; L417-F463 HydrophobicContact CB-CE2 4.12Å; L417-F463 HydrophobicContact CB-CZ 3.97Å; V418-F463 HydrophobicContact CG2-CE1 3.71Å; V418-F463 HydrophobicContact CG2-CZ 3.64Å; T421-F463 HydrophobicContact CG2-CE2 4.03Å; V459-F463 HydrophobicContact CG1-CD2 3.93Å; V459-F463 HydrophobicContact CG1-CE2 3.6Å; V459-F463 WeakPolarHBondContact O-CD2 3.43Å; V459-F463 PolarHBondContact O-N 2.93Å; V459-F463 VanDerWaalsContact O-N 3.12Å; D460-F463 PolarHBondContact O-N 3.36Å; D460-F463 VanDerWaalsContact O-N 3.14Å; I461-F463 VanDerWaalsContact C-N 3.33Å; I461-F463 PolarHBondContact O-N 3.04Å; F463-D466 PolarHBondContact O-N 3.3Å; F463-I467 WeakPolarHBondContact O-CG1 3.25Å; F463-I467 PolarHBondContact O-N 3.06Å; F463-A505 HydrophobicContact CB-CB 4.48Å; F463-R531 HydrophobicContact CE1-CB 4.37Å; F463-R531 HydrophobicContact CE1-CG 4.28Å; F463-R531 HydrophobicContact CE2-CG 4.41Å; F463-R531 HydrophobicContact CZ-CB 4.28Å; F463-R531 HydrophobicContact CZ-CG 4.24Å; F463-R534 PolarHBondContact O-NH1 3.06Å |
| 464 | I | 92.6 | Very high | 91 | Very high | 71 Ų | 71 | 43 Ų | 43 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.4 | -43.5 | 170.9 | -64.1 | 167 | 0 | 0 | 0 | 110.2 | D460 I461 D466 I467 L468 A505 | D460-I464 WeakPolarHBondContact O-CG1 3.46Å; D460-I464 PolarHBondContact O-N 3.39Å; D460-I464 VanDerWaalsContact O-N 3.09Å; I461-I464 WeakPolarHBondContact O-CB 3.41Å; I461-I464 PolarHBondContact O-N 2.88Å; I464-D466 VanDerWaalsContact C-N 3.33Å; I464-D466 PolarHBondContact O-N 2.98Å; I464-I467 WeakPolarHBondContact O-CB 3.39Å; I464-I467 PolarHBondContact O-N 3.22Å; I464-L468 PolarHBondContact O-N 3.49Å; I464-A505 HydrophobicContact CG1-CB 4.16Å |
| 465 | V | 93.7 | Very high | 91.1 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.6 | -37.9 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | W410 I461 M462 I467 L468 I469 | W410-V465 HydrophobicContact CH2-CB 4.45Å; W410-V465 HydrophobicContact CH2-CG1 3.71Å; W410-V465 HydrophobicContact CZ2-CB 4.41Å; W410-V465 HydrophobicContact CZ2-CG1 3.85Å; I461-V465 WeakPolarHBondContact O-CG2 3.16Å; I461-V465 PolarHBondContact O-N 3.33Å; M462-V465 PolarHBondContact O-N 2.99Å; V465-I467 VanDerWaalsContact C-N 3.33Å; V465-I467 PolarHBondContact O-N 3.19Å; V465-L468 PolarHBondContact O-N 3Å; V465-I469 HydrophobicContact CG1-CD1 3.85Å; V465-I469 HydrophobicContact CG1-CG1 4.42Å; V465-I469 WeakPolarHBondContact O-CG1 3.37Å; V465-I469 PolarHBondContact O-N 2.92Å |
| 466 | D | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -37.5 | 174.3 | -170.6 | 62.4 | 0 | 0 | 0 | 112.5 | W410 I414 M462 F463 I464 I469 N470 R534 | W410-D466 PolarHBondContact NE1-OD1 2.92Å; I414-D466 HydrophobicContact CD1-CB 3.73Å; I414-D466 HydrophobicContact CG1-CB 4.37Å; M462-D466 PolarHBondContact O-N 3.04Å; F463-D466 PolarHBondContact O-N 3.3Å; I464-D466 VanDerWaalsContact C-N 3.33Å; I464-D466 PolarHBondContact O-N 2.98Å; D466-I469 PolarHBondContact O-N 3.41Å; D466-N470 WeakPolarHBondContact O-CB 3.39Å; D466-N470 PolarHBondContact O-N 3.01Å; D466-N470 PolarHBondContact O-ND2 3.16Å; D466-N470 PolarHBondContact OD2-ND2 3.28Å; D466-R534 IonicContact OD2-CZ 3.4Å; D466-R534 IonicContact OD2-NH1 3.17Å; D466-R534 PolarHBondContact OD2-NH1 3.35Å |
| 467 | I | 92.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.087 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 174.2 | -65.9 | 167.2 | 0 | 0 | 0 | 110.5 | F463 I464 V465 I469 N470 F471 Y493 F498 D501 A505 | F463-I467 WeakPolarHBondContact O-CG1 3.25Å; F463-I467 PolarHBondContact O-N 3.06Å; I464-I467 WeakPolarHBondContact O-CB 3.39Å; I464-I467 PolarHBondContact O-N 3.22Å; V465-I467 VanDerWaalsContact C-N 3.33Å; V465-I467 PolarHBondContact O-N 3.19Å; I467-I469 VanDerWaalsContact C-N 3.31Å; I467-I469 PolarHBondContact O-N 3.33Å; I467-N470 PolarHBondContact O-N 3.38Å; I467-F471 HydrophobicContact CG2-CD2 3.97Å; I467-F471 HydrophobicContact CG2-CE2 3.76Å; I467-F471 VanDerWaalsContact O-CD2 3.3Å; I467-F471 WeakPolarHBondContact O-CD2 3.39Å; I467-F471 PolarHBondContact O-N 3.25Å; I467-Y493 HydrophobicContact CG2-CE1 4.23Å; I467-F498 HydrophobicContact CG2-CD2 4.38Å; I467-F498 HydrophobicContact CG2-CE2 4.16Å; I467-D501 WeakPolarHBondContact CD1-O 3.21Å; I467-D501 HydrophobicContact CG1-CB 4.28Å; I467-A505 HydrophobicContact CD1-CB 3.62Å |
| 468 | L | 92.3 | Very high | 90.4 | Very high | 110 Ų | 110 | 44.9 Ų | 44.9 | 58% | 0.576 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.4 | -37.8 | 177.7 | -63.6 | 175.8 | 0 | 0 | 0 | 112.3 | I464 V465 | I464-L468 PolarHBondContact O-N 3.49Å; V465-L468 PolarHBondContact O-N 3Å |
| 469 | I | 92.1 | Very high | 89.7 | Confident | 21 Ų | 21 | 45.7 Ų | 45.7 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -45.1 | 173.5 | -73.5 | 168.3 | 0 | 0 | 0 | 110.6 | I400 K407 W410 V465 D466 I467 F471 R472 T473 | I400-I469 HydrophobicContact CD1-CG2 4.28Å; K407-I469 HydrophobicContact CD-CG2 4.12Å; W410-I469 HydrophobicContact CD2-CD1 3.88Å; W410-I469 VanDerWaalsContact CE2-CD1 3.45Å; W410-I469 HydrophobicContact CE3-CD1 4.29Å; W410-I469 HydrophobicContact CG-CD1 4.49Å; W410-I469 HydrophobicContact CH2-CD1 3.99Å; W410-I469 HydrophobicContact CZ2-CD1 3.53Å; W410-I469 HydrophobicContact CZ3-CD1 4.34Å; V465-I469 HydrophobicContact CG1-CD1 3.85Å; V465-I469 HydrophobicContact CG1-CG1 4.42Å; V465-I469 WeakPolarHBondContact O-CG1 3.37Å; V465-I469 PolarHBondContact O-N 2.92Å; D466-I469 PolarHBondContact O-N 3.41Å; I467-I469 VanDerWaalsContact C-N 3.31Å; I467-I469 PolarHBondContact O-N 3.33Å; I469-F471 VanDerWaalsContact C-N 3.32Å; I469-F471 PolarHBondContact O-N 3.39Å; I469-R472 CarbonylContact O-C 3.56Å; I469-R472 WeakPolarHBondContact O-CA 3.39Å; I469-R472 PolarHBondContact O-N 3.06Å; I469-T473 HydrophobicContact CG2-CG2 3.88Å; I469-T473 VanDerWaalsContact O-CG2 3.28Å; I469-T473 WeakPolarHBondContact O-CG2 3.43Å; I469-T473 PolarHBondContact O-N 3.36Å |
| 470 | N | 90.9 | Very high | 88.6 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -36.6 | -178.9 | -68.8 | -35.1 | 0 | 0 | 0 | 112 | D466 I467 R472 T473 Y493 | D466-N470 WeakPolarHBondContact O-CB 3.39Å; D466-N470 PolarHBondContact O-N 3.01Å; D466-N470 PolarHBondContact O-ND2 3.16Å; D466-N470 PolarHBondContact OD2-ND2 3.28Å; I467-N470 PolarHBondContact O-N 3.38Å; N470-R472 PolarHBondContact O-N 3.1Å; N470-T473 WeakPolarHBondContact CA-OG1 3.48Å; N470-T473 PolarHBondContact O-N 2.97Å; N470-T473 PolarHBondContact O-OG1 2.9Å; N470-Y493 HydrophobicContact CB-CE1 4.03Å; N470-Y493 HydrophobicContact CB-CE2 4.47Å |
| 471 | F | 91.7 | Very high | 87.9 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.6 | 170.1 | -85.2 | -68.1 | 0 | 0 | 0 | 114.6 | I467 I469 I489 A490 Y493 F494 F498 | I467-F471 HydrophobicContact CG2-CD2 3.97Å; I467-F471 HydrophobicContact CG2-CE2 3.76Å; I467-F471 VanDerWaalsContact O-CD2 3.3Å; I467-F471 WeakPolarHBondContact O-CD2 3.39Å; I467-F471 PolarHBondContact O-N 3.25Å; I469-F471 VanDerWaalsContact C-N 3.32Å; I469-F471 PolarHBondContact O-N 3.39Å; F471-I489 WeakPolarHBondContact O-CG2 3.15Å; F471-A490 HydrophobicContact CD1-CB 4.04Å; F471-A490 HydrophobicContact CE1-CB 4.16Å; F471-Y493 AromaticContact CD1-CD1 3.86Å; F471-Y493 HydrophobicContact CD1-CD1 3.86Å; F471-Y493 HydrophobicContact CD2-CD1 4.04Å; F471-Y493 AromaticContact CD2-CE1 4Å; F471-Y493 HydrophobicContact CD2-CE1 4Å; F471-Y493 AromaticContact CE1-CD1 3.72Å; F471-Y493 HydrophobicContact CE1-CD1 3.72Å; F471-Y493 AromaticContact CE2-CD1 3.91Å; F471-Y493 HydrophobicContact CE2-CD1 3.91Å; F471-Y493 AromaticContact CE2-CE1 3.87Å; F471-Y493 HydrophobicContact CE2-CE1 3.87Å; F471-Y493 HydrophobicContact CG-CD1 4Å; F471-Y493 HydrophobicContact CG-CE1 4.37Å; F471-Y493 AromaticContact CZ-CD1 3.75Å; F471-Y493 HydrophobicContact CZ-CD1 3.75Å; F471-Y493 HydrophobicContact CZ-CE1 4.13Å; F471-F494 HydrophobicContact CE1-CD2 4.09Å; F471-F494 HydrophobicContact CE1-CE1 4.42Å; F471-F494 AromaticContact CE1-CE2 3.65Å; F471-F494 HydrophobicContact CE1-CE2 3.65Å; F471-F494 AromaticContact CE1-CZ 3.83Å; F471-F494 HydrophobicContact CE1-CZ 3.83Å; F471-F494 AromaticContact CZ-CE1 3.99Å; F471-F494 HydrophobicContact CZ-CE1 3.99Å; F471-F494 HydrophobicContact CZ-CE2 4.01Å; F471-F494 AromaticContact CZ-CZ 3.67Å; F471-F494 HydrophobicContact CZ-CZ 3.67Å; F471-F498 AromaticContact CE2-CD2 3.74Å; F471-F498 HydrophobicContact CE2-CD2 3.74Å; F471-F498 AromaticContact CE2-CE2 3.7Å; F471-F498 HydrophobicContact CE2-CE2 3.7Å; F471-F498 AromaticContact CZ-CD2 3.57Å; F471-F498 HydrophobicContact CZ-CD2 3.57Å; F471-F498 AromaticContact CZ-CE2 3.72Å; F471-F498 HydrophobicContact CZ-CE2 3.72Å; F471-F498 HydrophobicContact CZ-CG 4.34Å |
| 472 | R | 90.9 | Very high | 87.4 | Confident | 99 Ų | 99 | 50.8 Ų | 50.8 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -4.6 | 177.8 | -62.8 | -52.8 | -169 | 116.5 | -5 | 113.6 | W398 T399 I400 I469 N470 | W398-R472 WeakPolarHBondContact O-CD 3.13Å; W398-R472 PolarHBondContact O-NH1 2.63Å; T399-R472 CarbonylContact C-O 3.29Å; T399-R472 VanDerWaalsContact CA-O 3.31Å; T399-R472 WeakPolarHBondContact CA-O 3.47Å; T399-R472 WeakPolarHBondContact CB-O 3.16Å; I400-R472 PolarHBondContact N-O 3.21Å; I469-R472 CarbonylContact O-C 3.56Å; I469-R472 WeakPolarHBondContact O-CA 3.39Å; I469-R472 PolarHBondContact O-N 3.06Å; N470-R472 PolarHBondContact O-N 3.1Å |
| 473 | T | 91.3 | Very high | 87 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 131.6 | 178.7 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | I400 K407 I469 N470 I489 | I400-T473 HydrophobicContact CB-CG2 4.02Å; I400-T473 HydrophobicContact CG2-CG2 4.11Å; I400-T473 CarbonylContact O-C 3.59Å; I400-T473 VanDerWaalsContact O-CA 3.25Å; I400-T473 WeakPolarHBondContact O-CA 3.49Å; K407-T473 HydrophobicContact CD-CG2 3.97Å; K407-T473 VanDerWaalsContact CE-CG2 3.43Å; K407-T473 HydrophobicContact CG-CG2 4.42Å; I469-T473 HydrophobicContact CG2-CG2 3.88Å; I469-T473 VanDerWaalsContact O-CG2 3.28Å; I469-T473 WeakPolarHBondContact O-CG2 3.43Å; I469-T473 PolarHBondContact O-N 3.36Å; N470-T473 WeakPolarHBondContact CA-OG1 3.48Å; N470-T473 PolarHBondContact O-N 2.97Å; N470-T473 PolarHBondContact O-OG1 2.9Å; T473-I489 VanDerWaalsContact O-CG2 3.3Å; T473-I489 WeakPolarHBondContact O-CG2 3.43Å |
| 474 | T | 90.4 | Very high | 86.6 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | trans | -55.1 | 150.6 | 168.5 | 60.2 | 0 | 0 | 0 | 0 | 111 | I400 L401 H402 V482 V483 | I400-T474 PolarHBondContact O-N 2.84Å; I400-T474 PolarHBondContact O-OG1 3.36Å; L401-T474 HydrophobicContact CD1-CG2 3.95Å; H402-T474 WeakPolarHBondContact CB-O 3.5Å; H402-T474 PolarHBondContact N-OG1 3.45Å; H402-T474 PolarHBondContact ND1-OG1 2.89Å; T474-V482 HydrophobicContact CG2-CG1 4.27Å; T474-V483 VanDerWaalsContact CA-O 3.29Å; T474-V483 WeakPolarHBondContact CA-O 3.07Å; T474-V483 WeakPolarHBondContact CB-O 3.42Å | ||
| 475 | Y | 87.2 | Confident | 86.1 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 18% | 0.18 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 163.6 | 165.6 | 71.4 | -80.4 | 0 | 0 | 0 | 110.9 | N477 V483 I489 H492 | Y475-N477 HydrophobicContact CE2-CB 4.43Å; Y475-V483 HydrophobicContact CD1-CB 4.09Å; Y475-V483 HydrophobicContact CD1-CG1 4.45Å; Y475-V483 HydrophobicContact CE1-CB 3.66Å; Y475-V483 HydrophobicContact CE1-CG1 3.69Å; Y475-V483 HydrophobicContact CE1-CG2 4.21Å; Y475-V483 HydrophobicContact CE2-CB 4.46Å; Y475-V483 HydrophobicContact CE2-CG2 4.22Å; Y475-V483 PolarHBondContact N-O 3.11Å; Y475-V483 PolarHBondContact O-N 3.48Å; Y475-I489 HydrophobicContact CD1-CG1 4.04Å; Y475-I489 HydrophobicContact CE1-CG1 4.16Å; Y475-H492 AromaticContact CD2-CE1 3.81Å; Y475-H492 AromaticContact CD2-ND1 3.88Å; Y475-H492 HydrophobicContact CE1-CB 3.86Å; Y475-H492 HydrophobicContact CE2-CB 4.41Å; Y475-H492 AromaticContact CE2-CD2 3.77Å; Y475-H492 AromaticContact CE2-CG 3.81Å; Y475-H492 AromaticContact CE2-ND1 3.99Å; Y475-H492 AromaticContact CE2-NE2 3.93Å; Y475-H492 AromaticContact CG-ND1 3.95Å; Y475-H492 AromaticContact CZ-CG 3.72Å |
| 476 | V | 86.1 | Confident | 85.8 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 32% | 0.315 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127 | 171.6 | -177 | 0 | 0 | 0 | 0 | 107.8 | H402 | H402-V476 VanDerWaalsContact CE1-CG2 3.46Å; H402-V476 WeakPolarHBondContact CE1-CG2 3.27Å; H402-V476 WeakPolarHBondContact NE2-CG2 3.46Å |
| 477 | N | 82.4 | Confident | 85.5 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | trans | -78 | 167.9 | 177.8 | -168.4 | 25.2 | 0 | 0 | 0 | 111.3 | Y475 N479 E480 E481 V483 | Y475-N477 HydrophobicContact CE2-CB 4.43Å; N477-N479 PolarHBondContact O-N 3Å; N477-N479 VanDerWaalsContact O-N 3.15Å; N477-E480 WeakPolarHBondContact O-CA 3.38Å; N477-E480 PolarHBondContact O-N 3.24Å; N477-E481 PolarHBondContact N-O 2.86Å; N477-V483 HydrophobicContact CB-CG2 4.08Å | ||
| 478 | A | 79.9 | Confident | 85.2 | Confident | 97 Ų | 97 | 62.8 Ų | 62.8 | 80% | 0.802 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E480 | A478-E480 PolarHBondContact O-N 3.21Š|
| 479 | N | 76.1 | Confident | 85.2 | Confident | 114 Ų | 114 | 57.8 Ų | 57.8 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 7.2 | 172.7 | -56.7 | -2.9 | 0 | 0 | 0 | 113.9 | N477 E481 | N477-N479 PolarHBondContact O-N 3Å; N477-N479 VanDerWaalsContact O-N 3.15Å; N479-E481 HydrophobicContact CB-CG 3.97Å; N479-E481 WeakPolarHBondContact CB-OE2 3.49Å; N479-E481 PolarHBondContact ND2-OE2 3.39Å; N479-E481 VanDerWaalsContact ND2-OE2 3.08Å; N479-E481 PolarHBondContact O-N 2.89Å; N479-E481 VanDerWaalsContact O-N 3.1Å |
| 480 | E | 68.6 | Low | 85.1 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 56.5 | 14.9 | -168.2 | -57.1 | -157.3 | 134.3 | 0 | 0 | 115.7 | R4 G6 H7 N477 A478 | R4-E480 IonicContact CZ-OE1 3.26Å; R4-E480 IonicContact NH1-OE1 3.32Å; R4-E480 PolarHBondContact NH1-OE1 3.43Å; G6-E480 CarbonylContact C-O 3.44Å; G6-E480 VanDerWaalsContact C-O 3.29Å; G6-E480 WeakPolarHBondContact CA-O 3.1Å; H7-E480 PolarHBondContact N-O 3.33Å; H7-E480 VanDerWaalsContact N-O 3.1Å; N477-E480 WeakPolarHBondContact O-CA 3.38Å; N477-E480 PolarHBondContact O-N 3.24Å; A478-E480 PolarHBondContact O-N 3.21Å |
| 481 | E | 76.3 | Confident | 85.1 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 34% | 0.341 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -82.2 | 140.4 | 174.8 | -62.4 | 174.7 | 118.7 | 0 | 0 | 112.3 | N477 N479 | N477-E481 PolarHBondContact N-O 2.86Å; N479-E481 HydrophobicContact CB-CG 3.97Å; N479-E481 WeakPolarHBondContact CB-OE2 3.49Å; N479-E481 PolarHBondContact ND2-OE2 3.39Å; N479-E481 VanDerWaalsContact ND2-OE2 3.08Å; N479-E481 PolarHBondContact O-N 2.89Å; N479-E481 VanDerWaalsContact O-N 3.1Å |
| 482 | V | 81.9 | Confident | 85 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.8 | 176 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | G6 T474 | G6-V482 WeakPolarHBondContact O-CG2 3.25Å; T474-V482 HydrophobicContact CG2-CG1 4.27Å |
| 483 | V | 84.4 | Confident | 85 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 123.4 | 178.9 | -178 | 0 | 0 | 0 | 0 | 110.8 | T474 Y475 N477 R488 | T474-V483 VanDerWaalsContact CA-O 3.29Å; T474-V483 WeakPolarHBondContact CA-O 3.07Å; T474-V483 WeakPolarHBondContact CB-O 3.42Å; Y475-V483 HydrophobicContact CD1-CB 4.09Å; Y475-V483 HydrophobicContact CD1-CG1 4.45Å; Y475-V483 HydrophobicContact CE1-CB 3.66Å; Y475-V483 HydrophobicContact CE1-CG1 3.69Å; Y475-V483 HydrophobicContact CE1-CG2 4.21Å; Y475-V483 HydrophobicContact CE2-CB 4.46Å; Y475-V483 HydrophobicContact CE2-CG2 4.22Å; Y475-V483 PolarHBondContact N-O 3.11Å; Y475-V483 PolarHBondContact O-N 3.48Å; N477-V483 HydrophobicContact CB-CG2 4.08Å; V483-R488 HydrophobicContact CG1-CB 3.74Å |
| 484 | S | 82.6 | Confident | 85.1 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | trans | -113.3 | -17.6 | -173.7 | 60.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 485 | H | 83.8 | Confident | 85 | Confident | 117 Ų | 117 | 74.6 Ų | 74.6 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | trans | -76.8 | 127.6 | -176 | -65.3 | -87 | 0 | 0 | 0 | 111.8 | G487 R488 I489 | H485-G487 VanDerWaalsContact C-N 3.32Å; H485-G487 PolarHBondContact O-N 3.12Å; H485-R488 PolarHBondContact O-N 3.13Å; H485-R488 VanDerWaalsContact O-N 3.12Å; H485-I489 WeakPolarHBondContact O-CG1 3.17Å; H485-I489 PolarHBondContact O-N 2.8Å; H485-I489 VanDerWaalsContact O-N 3.11Å | ||
| 486 | P | 86.6 | Confident | 85 | Confident | 48 Ų | 48 | 74.3 Ų | 74.3 | 31% | 0.312 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.8 | -34.4 | -172.9 | 23.3 | -33.6 | 0 | 0 | 0 | 113.6 | R488 I489 A490 | P486-R488 PolarHBondContact O-N 3.05Å; P486-I489 PolarHBondContact O-N 3.49Å; P486-A490 WeakPolarHBondContact O-CB 3.3Å; P486-A490 PolarHBondContact O-N 2.84Å |
| 487 | G | 87.5 | Confident | 85 | Confident | 50 Ų | 50 | 77.8 Ų | 77.8 | 52% | 0.515 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H485 V491 | H485-G487 VanDerWaalsContact C-N 3.32Å; H485-G487 PolarHBondContact O-N 3.12Å; G487-V491 WeakPolarHBondContact O-CG2 3.4Å; G487-V491 PolarHBondContact O-N 3.08Å; G487-V491 VanDerWaalsContact O-N 3.13Å |
| 488 | R | 87.4 | Confident | 85.4 | Confident | 166 Ų | 166 | 76.9 Ų | 76.9 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -71.8 | -40.2 | 176.4 | -65.4 | -172.9 | -176.2 | 179.1 | 3.3 | 111.4 | V483 H485 P486 V491 H492 | V483-R488 HydrophobicContact CG1-CB 3.74Å; H485-R488 PolarHBondContact O-N 3.13Å; H485-R488 VanDerWaalsContact O-N 3.12Å; P486-R488 PolarHBondContact O-N 3.05Å; R488-V491 PolarHBondContact O-N 3.09Å; R488-H492 WeakPolarHBondContact O-CB 3.39Å; R488-H492 PolarHBondContact O-N 3.28Å |
| 489 | I | 90.9 | Very high | 85.9 | Confident | 5 Ų | 5 | 77.6 Ų | 77.6 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 173.9 | -64.3 | 163.7 | 0 | 0 | 0 | 110.5 | F471 T473 Y475 H485 P486 H492 Y493 | F471-I489 WeakPolarHBondContact O-CG2 3.15Å; T473-I489 VanDerWaalsContact O-CG2 3.3Å; T473-I489 WeakPolarHBondContact O-CG2 3.43Å; Y475-I489 HydrophobicContact CD1-CG1 4.04Å; Y475-I489 HydrophobicContact CE1-CG1 4.16Å; H485-I489 WeakPolarHBondContact O-CG1 3.17Å; H485-I489 PolarHBondContact O-N 2.8Å; H485-I489 VanDerWaalsContact O-N 3.11Å; P486-I489 PolarHBondContact O-N 3.49Å; I489-H492 PolarHBondContact O-N 2.88Å; I489-Y493 WeakPolarHBondContact O-CB 3.46Å; I489-Y493 PolarHBondContact O-N 2.98Å |
| 490 | A | 90.4 | Very high | 86.5 | Confident | 22 Ų | 22 | 75.2 Ų | 75.2 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.9 | -50 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F471 P486 H492 Y493 F494 | F471-A490 HydrophobicContact CD1-CB 4.04Å; F471-A490 HydrophobicContact CE1-CB 4.16Å; P486-A490 WeakPolarHBondContact O-CB 3.3Å; P486-A490 PolarHBondContact O-N 2.84Å; A490-H492 VanDerWaalsContact C-N 3.3Å; A490-H492 PolarHBondContact O-N 3.41Å; A490-Y493 PolarHBondContact O-N 3.37Å; A490-Y493 VanDerWaalsContact O-N 3.15Å; A490-F494 HydrophobicContact CB-CD2 4.33Å; A490-F494 HydrophobicContact CB-CE2 4.33Å; A490-F494 WeakPolarHBondContact O-CB 3.42Å; A490-F494 WeakPolarHBondContact O-CD2 3.29Å; A490-F494 PolarHBondContact O-N 2.82Å |
| 491 | V | 91.1 | Very high | 87.5 | Confident | 104 Ų | 104 | 70.9 Ų | 70.9 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58.7 | -41.4 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | G487 R488 K495 | G487-V491 WeakPolarHBondContact O-CG2 3.4Å; G487-V491 PolarHBondContact O-N 3.08Å; G487-V491 VanDerWaalsContact O-N 3.13Å; R488-V491 PolarHBondContact O-N 3.09Å; V491-K495 WeakPolarHBondContact O-CB 3.34Å; V491-K495 PolarHBondContact O-N 3.31Å; V491-K495 VanDerWaalsContact O-N 3.09Å |
| 492 | H | 89.7 | Confident | 88.2 | Confident | 101 Ų | 101 | 71.2 Ų | 71.2 | 47% | 0.468 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 175.7 | -177.7 | -100.6 | 0 | 0 | 0 | 112.4 | Y475 R488 I489 A490 G496 | Y475-H492 AromaticContact CD2-CE1 3.81Å; Y475-H492 AromaticContact CD2-ND1 3.88Å; Y475-H492 HydrophobicContact CE1-CB 3.86Å; Y475-H492 HydrophobicContact CE2-CB 4.41Å; Y475-H492 AromaticContact CE2-CD2 3.77Å; Y475-H492 AromaticContact CE2-CG 3.81Å; Y475-H492 AromaticContact CE2-ND1 3.99Å; Y475-H492 AromaticContact CE2-NE2 3.93Å; Y475-H492 AromaticContact CG-ND1 3.95Å; Y475-H492 AromaticContact CZ-CG 3.72Å; R488-H492 WeakPolarHBondContact O-CB 3.39Å; R488-H492 PolarHBondContact O-N 3.28Å; I489-H492 PolarHBondContact O-N 2.88Å; A490-H492 VanDerWaalsContact C-N 3.3Å; A490-H492 PolarHBondContact O-N 3.41Å; H492-G496 PolarHBondContact O-N 3.15Å |
| 493 | Y | 91.4 | Very high | 88.5 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.3 | -41.2 | 179.9 | -171.2 | -142.6 | 0 | 0 | 0 | 112.6 | I467 N470 F471 I489 A490 G496 W497 F498 D501 | I467-Y493 HydrophobicContact CG2-CE1 4.23Å; N470-Y493 HydrophobicContact CB-CE1 4.03Å; N470-Y493 HydrophobicContact CB-CE2 4.47Å; F471-Y493 AromaticContact CD1-CD1 3.86Å; F471-Y493 HydrophobicContact CD1-CD1 3.86Å; F471-Y493 HydrophobicContact CD2-CD1 4.04Å; F471-Y493 AromaticContact CD2-CE1 4Å; F471-Y493 HydrophobicContact CD2-CE1 4Å; F471-Y493 AromaticContact CE1-CD1 3.72Å; F471-Y493 HydrophobicContact CE1-CD1 3.72Å; F471-Y493 AromaticContact CE2-CD1 3.91Å; F471-Y493 HydrophobicContact CE2-CD1 3.91Å; F471-Y493 AromaticContact CE2-CE1 3.87Å; F471-Y493 HydrophobicContact CE2-CE1 3.87Å; F471-Y493 HydrophobicContact CG-CD1 4Å; F471-Y493 HydrophobicContact CG-CE1 4.37Å; F471-Y493 AromaticContact CZ-CD1 3.75Å; F471-Y493 HydrophobicContact CZ-CD1 3.75Å; F471-Y493 HydrophobicContact CZ-CE1 4.13Å; I489-Y493 WeakPolarHBondContact O-CB 3.46Å; I489-Y493 PolarHBondContact O-N 2.98Å; A490-Y493 PolarHBondContact O-N 3.37Å; A490-Y493 VanDerWaalsContact O-N 3.15Å; Y493-G496 CarbonylContact O-C 3.54Å; Y493-G496 PolarHBondContact O-N 2.92Å; Y493-W497 HydrophobicContact CD2-CB 4.45Å; Y493-W497 HydrophobicContact CE2-CB 4.14Å; Y493-W497 PolarHBondContact O-N 2.96Å; Y493-F498 HydrophobicContact CD1-CB 4.21Å; Y493-F498 HydrophobicContact CD1-CD2 4.26Å; Y493-F498 HydrophobicContact CD2-CB 4.35Å; Y493-F498 HydrophobicContact CE1-CB 4.29Å; Y493-F498 AromaticContact CE1-CD2 3.93Å; Y493-F498 HydrophobicContact CE1-CD2 3.93Å; Y493-F498 HydrophobicContact CE2-CB 4.4Å; Y493-F498 HydrophobicContact CG-CB 4.25Å; Y493-F498 VanDerWaalsContact O-CB 3.28Å; Y493-F498 WeakPolarHBondContact O-CB 3.39Å; Y493-F498 PolarHBondContact O-N 3.33Å; Y493-F498 VanDerWaalsContact O-N 3.1Å; Y493-D501 WeakPolarHBondContact CE2-OD2 3.33Å; Y493-D501 VanDerWaalsContact OH-CB 3.31Å; Y493-D501 WeakPolarHBondContact OH-CB 3.39Å; Y493-D501 PolarHBondContact OH-OD2 2.88Å |
| 494 | F | 92.1 | Very high | 88.6 | Confident | 114 Ų | 114 | 71.1 Ų | 71.1 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 174.8 | -82.4 | -60.6 | 0 | 0 | 0 | 112.9 | F471 A490 G496 F498 | F471-F494 HydrophobicContact CE1-CD2 4.09Å; F471-F494 HydrophobicContact CE1-CE1 4.42Å; F471-F494 AromaticContact CE1-CE2 3.65Å; F471-F494 HydrophobicContact CE1-CE2 3.65Å; F471-F494 AromaticContact CE1-CZ 3.83Å; F471-F494 HydrophobicContact CE1-CZ 3.83Å; F471-F494 AromaticContact CZ-CE1 3.99Å; F471-F494 HydrophobicContact CZ-CE1 3.99Å; F471-F494 HydrophobicContact CZ-CE2 4.01Å; F471-F494 AromaticContact CZ-CZ 3.67Å; F471-F494 HydrophobicContact CZ-CZ 3.67Å; A490-F494 HydrophobicContact CB-CD2 4.33Å; A490-F494 HydrophobicContact CB-CE2 4.33Å; A490-F494 WeakPolarHBondContact O-CB 3.42Å; A490-F494 WeakPolarHBondContact O-CD2 3.29Å; A490-F494 PolarHBondContact O-N 2.82Å; F494-G496 VanDerWaalsContact C-N 3.26Å; F494-G496 PolarHBondContact O-N 3.43Å; F494-F498 HydrophobicContact CD1-CB 4.3Å; F494-F498 AromaticContact CD1-CD1 3.47Å; F494-F498 HydrophobicContact CD1-CD1 3.47Å; F494-F498 VanDerWaalsContact CD1-CD1 3.47Å; F494-F498 AromaticContact CD1-CE1 3.91Å; F494-F498 HydrophobicContact CD1-CE1 3.91Å; F494-F498 AromaticContact CD1-CG 3.83Å; F494-F498 HydrophobicContact CD1-CG 3.83Å; F494-F498 AromaticContact CE1-CD1 3.63Å; F494-F498 HydrophobicContact CE1-CD1 3.63Å; F494-F498 HydrophobicContact CE1-CD2 4.36Å; F494-F498 AromaticContact CE1-CE1 3.58Å; F494-F498 HydrophobicContact CE1-CE1 3.58Å; F494-F498 HydrophobicContact CE1-CE2 4.31Å; F494-F498 HydrophobicContact CE1-CG 4.03Å; F494-F498 AromaticContact CE1-CZ 3.94Å; F494-F498 HydrophobicContact CE1-CZ 3.94Å |
| 495 | K | 89.8 | Confident | 88.8 | Confident | 195 Ų | 195 | 69.6 Ų | 69.6 | 85% | 0.848 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.9 | -22.8 | 179 | -175.2 | 171.6 | 178.7 | -178.8 | 0 | 113.2 | V491 | V491-K495 WeakPolarHBondContact O-CB 3.34Å; V491-K495 PolarHBondContact O-N 3.31Å; V491-K495 VanDerWaalsContact O-N 3.09Å |
| 496 | G | 85.9 | Confident | 88.9 | Confident | 41 Ų | 41 | 67 Ų | 67 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -105.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H492 Y493 F494 | H492-G496 PolarHBondContact O-N 3.15Å; Y493-G496 CarbonylContact O-C 3.54Å; Y493-G496 PolarHBondContact O-N 2.92Å; F494-G496 VanDerWaalsContact C-N 3.26Å; F494-G496 PolarHBondContact O-N 3.43Å |
| 497 | W | 86.8 | Confident | 88.8 | Confident | 124 Ų | 124 | 66.4 Ų | 66.4 | 47% | 0.47 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.8 | -159 | -57.8 | 106 | 0 | 0 | 0 | 116.1 | Y493 L499 I500 D501 V533 R537 | Y493-W497 HydrophobicContact CD2-CB 4.45Å; Y493-W497 HydrophobicContact CE2-CB 4.14Å; Y493-W497 PolarHBondContact O-N 2.96Å; W497-L499 VanDerWaalsContact C-N 3.27Å; W497-L499 PolarHBondContact O-N 2.76Å; W497-I500 HydrophobicContact CE3-CD1 4.14Å; W497-I500 HydrophobicContact CZ3-CD1 4.23Å; W497-I500 PolarHBondContact O-N 2.85Å; W497-D501 WeakPolarHBondContact O-CB 3.48Å; W497-D501 PolarHBondContact O-N 3.36Å; W497-V533 HydrophobicContact CE3-CG1 4.44Å; W497-V533 HydrophobicContact CZ3-CG1 3.94Å; W497-R537 HydrophobicContact CD2-CG 4.14Å; W497-R537 HydrophobicContact CE3-CG 4.29Å; W497-R537 HydrophobicContact CH2-CG 3.91Å; W497-R537 HydrophobicContact CZ2-CG 3.76Å; W497-R537 HydrophobicContact CZ3-CG 4.17Å |
| 498 | F | 90.8 | Very high | 88.2 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.8 | -40.6 | -176.3 | 171.7 | -100.3 | 0 | 0 | 0 | 112.9 | I467 F471 Y493 F494 I500 D501 M502 | I467-F498 HydrophobicContact CG2-CD2 4.38Å; I467-F498 HydrophobicContact CG2-CE2 4.16Å; F471-F498 AromaticContact CE2-CD2 3.74Å; F471-F498 HydrophobicContact CE2-CD2 3.74Å; F471-F498 AromaticContact CE2-CE2 3.7Å; F471-F498 HydrophobicContact CE2-CE2 3.7Å; F471-F498 AromaticContact CZ-CD2 3.57Å; F471-F498 HydrophobicContact CZ-CD2 3.57Å; F471-F498 AromaticContact CZ-CE2 3.72Å; F471-F498 HydrophobicContact CZ-CE2 3.72Å; F471-F498 HydrophobicContact CZ-CG 4.34Å; Y493-F498 HydrophobicContact CD1-CB 4.21Å; Y493-F498 HydrophobicContact CD1-CD2 4.26Å; Y493-F498 HydrophobicContact CD2-CB 4.35Å; Y493-F498 HydrophobicContact CE1-CB 4.29Å; Y493-F498 AromaticContact CE1-CD2 3.93Å; Y493-F498 HydrophobicContact CE1-CD2 3.93Å; Y493-F498 HydrophobicContact CE2-CB 4.4Å; Y493-F498 HydrophobicContact CG-CB 4.25Å; Y493-F498 VanDerWaalsContact O-CB 3.28Å; Y493-F498 WeakPolarHBondContact O-CB 3.39Å; Y493-F498 PolarHBondContact O-N 3.33Å; Y493-F498 VanDerWaalsContact O-N 3.1Å; F494-F498 HydrophobicContact CD1-CB 4.3Å; F494-F498 AromaticContact CD1-CD1 3.47Å; F494-F498 HydrophobicContact CD1-CD1 3.47Å; F494-F498 VanDerWaalsContact CD1-CD1 3.47Å; F494-F498 AromaticContact CD1-CE1 3.91Å; F494-F498 HydrophobicContact CD1-CE1 3.91Å; F494-F498 AromaticContact CD1-CG 3.83Å; F494-F498 HydrophobicContact CD1-CG 3.83Å; F494-F498 AromaticContact CE1-CD1 3.63Å; F494-F498 HydrophobicContact CE1-CD1 3.63Å; F494-F498 HydrophobicContact CE1-CD2 4.36Å; F494-F498 AromaticContact CE1-CE1 3.58Å; F494-F498 HydrophobicContact CE1-CE1 3.58Å; F494-F498 HydrophobicContact CE1-CE2 4.31Å; F494-F498 HydrophobicContact CE1-CG 4.03Å; F494-F498 AromaticContact CE1-CZ 3.94Å; F494-F498 HydrophobicContact CE1-CZ 3.94Å; F498-I500 PolarHBondContact O-N 2.72Å; F498-D501 PolarHBondContact O-N 3.08Å; F498-M502 HydrophobicContact CE1-CB 4.28Å; F498-M502 HydrophobicContact CE1-CE 4.27Å; F498-M502 HydrophobicContact CE1-SD 3.63Å; F498-M502 HydrophobicContact CE2-CB 4.32Å; F498-M502 HydrophobicContact CZ-CB 4.07Å; F498-M502 HydrophobicContact CZ-CG 4.19Å; F498-M502 HydrophobicContact CZ-SD 3.58Å; F498-M502 VanDerWaalsContact CZ-SD 3.58Å; F498-M502 WeakPolarHBondContact O-CB 3.46Å; F498-M502 PolarHBondContact O-N 2.87Å |
| 499 | L | 89.8 | Confident | 87.4 | Confident | 113 Ų | 113 | 58.5 Ų | 58.5 | 59% | 0.592 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61 | -47.3 | -177.6 | -178.2 | 60.7 | 0 | 0 | 0 | 112.4 | W497 M502 V503 | W497-L499 VanDerWaalsContact C-N 3.27Å; W497-L499 PolarHBondContact O-N 2.76Å; L499-M502 HydrophobicContact CD1-CE 3.96Å; L499-M502 PolarHBondContact O-N 3.45Å; L499-V503 WeakPolarHBondContact O-CG2 3.25Å; L499-V503 PolarHBondContact O-N 3.21Å; L499-V503 VanDerWaalsContact O-N 3.11Å |
| 500 | I | 89.1 | Confident | 86.3 | Confident | 63 Ų | 63 | 63 Ų | 63 | 32% | 0.323 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 177.1 | -58 | 178.9 | 0 | 0 | 0 | 110.1 | W497 F498 M502 A504 V533 | W497-I500 HydrophobicContact CE3-CD1 4.14Å; W497-I500 HydrophobicContact CZ3-CD1 4.23Å; W497-I500 PolarHBondContact O-N 2.85Å; F498-I500 PolarHBondContact O-N 2.72Å; I500-M502 VanDerWaalsContact C-N 3.31Å; I500-M502 PolarHBondContact O-N 2.95Å; I500-A504 WeakPolarHBondContact O-CB 3.49Å; I500-A504 PolarHBondContact O-N 2.87Å; I500-V533 HydrophobicContact CG2-CB 4.41Å; I500-V533 HydrophobicContact CG2-CG1 4.49Å |
| 501 | D | 90 | Very high | 85.3 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.011 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 179.5 | -79.9 | -25.6 | 0 | 0 | 0 | 112.5 | I467 Y493 W497 F498 A505 R534 R537 | I467-D501 WeakPolarHBondContact CD1-O 3.21Å; I467-D501 HydrophobicContact CG1-CB 4.28Å; Y493-D501 WeakPolarHBondContact CE2-OD2 3.33Å; Y493-D501 VanDerWaalsContact OH-CB 3.31Å; Y493-D501 WeakPolarHBondContact OH-CB 3.39Å; Y493-D501 PolarHBondContact OH-OD2 2.88Å; W497-D501 WeakPolarHBondContact O-CB 3.48Å; W497-D501 PolarHBondContact O-N 3.36Å; F498-D501 PolarHBondContact O-N 3.08Å; D501-A505 WeakPolarHBondContact O-CB 3.29Å; D501-A505 PolarHBondContact O-N 2.95Å; D501-R534 PolarHBondContact O-NH2 3.15Å; D501-R534 WeakPolarHBondContact OD1-CD 3.4Å; D501-R534 IonicContact OD1-CZ 2.8Å; D501-R534 IonicContact OD1-NE 2.7Å; D501-R534 PolarHBondContact OD1-NE 2.86Å; D501-R534 IonicContact OD1-NH2 3.05Å; D501-R537 VanDerWaalsContact CG-NH2 3.28Å; D501-R537 IonicContact OD1-CZ 2.79Å; D501-R537 IonicContact OD1-NH1 3.23Å; D501-R537 IonicContact OD1-NH2 2.79Å; D501-R537 PolarHBondContact OD1-NH2 3.01Å; D501-R537 IonicContact OD2-CZ 3.13Å; D501-R537 IonicContact OD2-NH1 2.69Å; D501-R537 PolarHBondContact OD2-NH1 2.95Å; D501-R537 IonicContact OD2-NH2 2.7Å; D501-R537 PolarHBondContact OD2-NH2 2.87Å |
| 502 | M | 89.4 | Confident | 83.9 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 39% | 0.394 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.4 | -52.8 | 176.7 | -179.7 | 179 | 70.3 | 0 | 0 | 111.8 | F498 L499 I500 A504 A505 | F498-M502 HydrophobicContact CE1-CB 4.28Å; F498-M502 HydrophobicContact CE1-CE 4.27Å; F498-M502 HydrophobicContact CE1-SD 3.63Å; F498-M502 HydrophobicContact CE2-CB 4.32Å; F498-M502 HydrophobicContact CZ-CB 4.07Å; F498-M502 HydrophobicContact CZ-CG 4.19Å; F498-M502 HydrophobicContact CZ-SD 3.58Å; F498-M502 VanDerWaalsContact CZ-SD 3.58Å; F498-M502 WeakPolarHBondContact O-CB 3.46Å; F498-M502 PolarHBondContact O-N 2.87Å; L499-M502 HydrophobicContact CD1-CE 3.96Å; L499-M502 PolarHBondContact O-N 3.45Å; I500-M502 VanDerWaalsContact C-N 3.31Å; I500-M502 PolarHBondContact O-N 2.95Å; M502-A504 VanDerWaalsContact C-N 3.26Å; M502-A504 PolarHBondContact O-N 2.82Å; M502-A505 PolarHBondContact O-N 3.12Å |
| 503 | V | 89 | Confident | 82.4 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 30% | 0.303 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | L499 A505 I506 L530 | L499-V503 WeakPolarHBondContact O-CG2 3.25Å; L499-V503 PolarHBondContact O-N 3.21Å; L499-V503 VanDerWaalsContact O-N 3.11Å; V503-A505 PolarHBondContact O-N 3.31Å; V503-A505 VanDerWaalsContact O-N 3.16Å; V503-I506 PolarHBondContact O-N 2.88Å; V503-L530 HydrophobicContact CG1-CD1 3.96Å |
| 504 | A | 86.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.017 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I500 M502 L530 R531 | I500-A504 WeakPolarHBondContact O-CB 3.49Å; I500-A504 PolarHBondContact O-N 2.87Å; M502-A504 VanDerWaalsContact C-N 3.26Å; M502-A504 PolarHBondContact O-N 2.82Å; A504-L530 HydrophobicContact CB-CB 4.03Å; A504-R531 HydrophobicContact CB-CG 3.98Å; A504-R531 VanDerWaalsContact O-CZ 3.25Å; A504-R531 PolarHBondContact O-NE 2.95Å; A504-R531 PolarHBondContact O-NH2 3.32Å |
| 505 | A | 87.5 | Confident | 78.9 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F463 I464 I467 D501 M502 V503 P507 | F463-A505 HydrophobicContact CB-CB 4.48Å; I464-A505 HydrophobicContact CG1-CB 4.16Å; I467-A505 HydrophobicContact CD1-CB 3.62Å; D501-A505 WeakPolarHBondContact O-CB 3.29Å; D501-A505 PolarHBondContact O-N 2.95Å; M502-A505 PolarHBondContact O-N 3.12Å; V503-A505 PolarHBondContact O-N 3.31Å; V503-A505 VanDerWaalsContact O-N 3.16Å; A505-P507 WeakPolarHBondContact O-CD 3.4Å |
| 506 | I | 85.6 | Confident | 77.2 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | trans | -74 | 124.3 | 175.9 | -61.4 | 173.5 | 0 | 0 | 0 | 109.7 | V503 F508 L511 | V503-I506 PolarHBondContact O-N 2.88Å; I506-F508 HydrophobicContact CB-CD2 4.31Å; I506-F508 HydrophobicContact CB-CE1 4.26Å; I506-F508 HydrophobicContact CB-CE2 3.79Å; I506-F508 HydrophobicContact CB-CZ 3.77Å; I506-F508 HydrophobicContact CD1-CZ 4.18Å; I506-F508 HydrophobicContact CG2-CD1 3.96Å; I506-F508 HydrophobicContact CG2-CD2 4.26Å; I506-F508 HydrophobicContact CG2-CE1 3.74Å; I506-F508 HydrophobicContact CG2-CE2 4.05Å; I506-F508 HydrophobicContact CG2-CG 4.21Å; I506-F508 HydrophobicContact CG2-CZ 3.79Å; I506-F508 VanDerWaalsContact O-CD2 3.22Å; I506-F508 WeakPolarHBondContact O-CD2 3.13Å; I506-F508 PolarHBondContact O-N 3.31Å; I506-L511 HydrophobicContact CG2-CD1 4.21Å | ||
| 507 | P | 83.2 | Confident | 75.8 | Confident | 37 Ų | 37 | 62 Ų | 62 | 24% | 0.24 | 36% | 0.36 | C | S | . | . | trans | -82.8 | 78.7 | 177.3 | 33.7 | -34.5 | 0 | 0 | 0 | 110.6 | D460 A505 D509 L510 | D460-P507 WeakPolarHBondContact OD2-CA 3.48Å; A505-P507 WeakPolarHBondContact O-CD 3.4Å; P507-D509 PolarHBondContact O-N 3.47Å; P507-D509 VanDerWaalsContact O-N 3.09Å; P507-L510 HydrophobicContact CB-CD1 4.23Å; P507-L510 HydrophobicContact CB-CG 4.45Å; P507-L510 HydrophobicContact CG-CD1 4.05Å; P507-L510 PolarHBondContact O-N 3.39Å | ||
| 508 | F | 75.4 | Confident | 74.6 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.8 | -177.1 | -65.5 | -78.8 | 0 | 0 | 0 | 114.1 | I506 L510 L511 I512 L524 A527 | I506-F508 HydrophobicContact CB-CD2 4.31Å; I506-F508 HydrophobicContact CB-CE1 4.26Å; I506-F508 HydrophobicContact CB-CE2 3.79Å; I506-F508 HydrophobicContact CB-CZ 3.77Å; I506-F508 HydrophobicContact CD1-CZ 4.18Å; I506-F508 HydrophobicContact CG2-CD1 3.96Å; I506-F508 HydrophobicContact CG2-CD2 4.26Å; I506-F508 HydrophobicContact CG2-CE1 3.74Å; I506-F508 HydrophobicContact CG2-CE2 4.05Å; I506-F508 HydrophobicContact CG2-CG 4.21Å; I506-F508 HydrophobicContact CG2-CZ 3.79Å; I506-F508 VanDerWaalsContact O-CD2 3.22Å; I506-F508 WeakPolarHBondContact O-CD2 3.13Å; I506-F508 PolarHBondContact O-N 3.31Å; F508-L510 PolarHBondContact O-N 3.47Å; F508-L511 HydrophobicContact CD1-CD1 4.23Å; F508-L511 WeakPolarHBondContact O-CB 3.38Å; F508-L511 PolarHBondContact O-N 3.35Å; F508-I512 PolarHBondContact O-N 3.23Å; F508-L524 HydrophobicContact CD1-CB 4.22Å; F508-L524 HydrophobicContact CG-CB 4.49Å; F508-A527 HydrophobicContact CE2-CB 3.91Å; F508-A527 HydrophobicContact CZ-CB 4.31Å |
| 509 | D | 70.4 | Confident | 73.2 | Confident | 26 Ų | 26 | 67.8 Ų | 67.8 | 14% | 0.139 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56 | -36.5 | 174.8 | -66.3 | -50.3 | 0 | 0 | 0 | 112.7 | Y447 P507 L511 I512 K525 R528 | Y447-D509 PolarHBondContact OH-O 2.94Å; P507-D509 PolarHBondContact O-N 3.47Å; P507-D509 VanDerWaalsContact O-N 3.09Å; D509-L511 VanDerWaalsContact C-N 3.26Å; D509-L511 PolarHBondContact O-N 2.97Å; D509-I512 PolarHBondContact O-N 3.4Å; D509-K525 WeakPolarHBondContact OD1-CE 3.46Å; D509-K525 IonicContact OD1-NZ 3.5Å; D509-K525 PolarHBondContact OD1-NZ 3.44Å; D509-R528 IonicContact OD2-CZ 2.84Å; D509-R528 IonicContact OD2-NH1 2.73Å; D509-R528 PolarHBondContact OD2-NH1 2.88Å; D509-R528 IonicContact OD2-NH2 3.78Å; D509-R528 PolarHBondContact OD2-NH2 3.46Å |
| 510 | L | 68.6 | Low | 71.9 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 52% | 0.524 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.6 | -14.6 | 178 | -63.1 | 178.1 | 0 | 0 | 0 | 113.5 | P507 F508 | P507-L510 HydrophobicContact CB-CD1 4.23Å; P507-L510 HydrophobicContact CB-CG 4.45Å; P507-L510 HydrophobicContact CG-CD1 4.05Å; P507-L510 PolarHBondContact O-N 3.39Å; F508-L510 PolarHBondContact O-N 3.47Å |
| 511 | L | 68.3 | Low | 70.7 | Confident | 107 Ų | 107 | 66.6 Ų | 66.6 | 56% | 0.56 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -90.9 | -25.9 | 177.6 | -62 | 174.3 | 0 | 0 | 0 | 112.3 | I506 F508 D509 F513 | I506-L511 HydrophobicContact CG2-CD1 4.21Å; F508-L511 HydrophobicContact CD1-CD1 4.23Å; F508-L511 WeakPolarHBondContact O-CB 3.38Å; F508-L511 PolarHBondContact O-N 3.35Å; D509-L511 VanDerWaalsContact C-N 3.26Å; D509-L511 PolarHBondContact O-N 2.97Å; L511-F513 VanDerWaalsContact C-N 3.29Å; L511-F513 PolarHBondContact O-N 3Å |
| 512 | I | 62.2 | Low | 69.7 | Low | 28 Ų | 28 | 66.5 Ų | 66.5 | 14% | 0.144 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 176.6 | -69.3 | 170.1 | 0 | 0 | 0 | 111.1 | F508 D509 G514 S515 I521 | F508-I512 PolarHBondContact O-N 3.23Å; D509-I512 PolarHBondContact O-N 3.4Å; I512-G514 PolarHBondContact O-N 2.82Å; I512-S515 PolarHBondContact O-N 2.99Å; I512-I521 HydrophobicContact CD1-CG2 4.05Å; I512-I521 HydrophobicContact CG1-CB 3.93Å; I512-I521 HydrophobicContact CG1-CG2 3.33Å |
| 513 | F | 58.1 | Low | 68.9 | Low | 163 Ų | 163 | 67.8 Ų | 67.8 | 72% | 0.715 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -3 | -174.2 | -118.5 | -96.4 | 0 | 0 | 0 | 116 | Y447 L511 | Y447-F513 HydrophobicContact CD2-CD2 4.49Å; Y447-F513 HydrophobicContact CD2-CE2 4.13Å; Y447-F513 AromaticContact CE2-CD2 3.56Å; Y447-F513 HydrophobicContact CE2-CD2 3.56Å; Y447-F513 AromaticContact CE2-CE2 3.52Å; Y447-F513 HydrophobicContact CE2-CE2 3.52Å; Y447-F513 HydrophobicContact CE2-CG 4.39Å; Y447-F513 HydrophobicContact CE2-CZ 4.33Å; L511-F513 VanDerWaalsContact C-N 3.29Å; L511-F513 PolarHBondContact O-N 3Å |
| 514 | G | 55.3 | Low | 68.3 | Low | 78 Ų | 78 | 69.6 Ų | 69.6 | 80% | 0.804 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | 6.8 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | I512 | I512-G514 PolarHBondContact O-N 2.82Š|
| 515 | S | 55.4 | Low | 67.9 | Low | 57 Ų | 57 | 71.4 Ų | 71.4 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | trans | -144.2 | 106 | -171.5 | -167.6 | 0 | 0 | 0 | 0 | 112.2 | I512 S517 | I512-S515 PolarHBondContact O-N 2.99Å; S515-S517 PolarHBondContact O-N 3.27Å | ||
| 516 | G | 53.5 | Low | 67.8 | Low | 87 Ų | 87 | 74 Ų | 74 | 90% | 0.897 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -76.3 | 56.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 517 | S | 57.8 | Low | 67.8 | Low | 55 Ų | 55 | 72.1 Ų | 72.1 | 39% | 0.385 | 42% | 0.418 | S | S | . | . | trans | -136.6 | 65.3 | 172.9 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | S515 E519 L520 I521 | S515-S517 PolarHBondContact O-N 3.27Å; S517-E519 PolarHBondContact O-N 2.85Å; S517-L520 PolarHBondContact O-N 2.72Å; S517-I521 WeakPolarHBondContact O-CG1 3.33Å; S517-I521 PolarHBondContact O-N 3.42Å | ||
| 518 | E | 59.6 | Low | 68 | Low | 116 Ų | 116 | 70.7 Ų | 70.7 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -35.1 | -162.1 | -55.2 | -153.3 | 165.6 | 0 | 0 | 114.4 | G522 | E518-G522 WeakPolarHBondContact O-CA 3.35Å; E518-G522 PolarHBondContact O-N 3.4Å |
| 519 | E | 61.5 | Low | 68.6 | Low | 165 Ų | 165 | 72.1 Ų | 72.1 | 77% | 0.771 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.8 | -54.8 | 178.1 | -62.8 | -170.4 | 120.4 | 0 | 0 | 112.6 | S517 I521 G522 L523 | S517-E519 PolarHBondContact O-N 2.85Å; E519-I521 VanDerWaalsContact C-N 3.28Å; E519-I521 PolarHBondContact O-N 2.66Å; E519-G522 WeakPolarHBondContact O-CA 3.24Å; E519-G522 PolarHBondContact O-N 2.97Å; E519-G522 VanDerWaalsContact O-N 3.14Å; E519-L523 WeakPolarHBondContact O-CD1 3.41Å; E519-L523 PolarHBondContact O-N 3Å; E519-L523 VanDerWaalsContact O-N 3.13Å |
| 520 | L | 62.3 | Low | 69.4 | Low | 132 Ų | 132 | 74.4 Ų | 74.4 | 69% | 0.691 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.1 | -32 | -172.7 | -163 | 72.8 | 0 | 0 | 0 | 111.6 | S517 | S517-L520 PolarHBondContact O-N 2.72Å |
| 521 | I | 65.8 | Low | 70.5 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 10% | 0.097 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -85 | -24.7 | 177.1 | -43 | 167.5 | 0 | 0 | 0 | 111.1 | I512 S517 E519 L523 L524 | I512-I521 HydrophobicContact CD1-CG2 4.05Å; I512-I521 HydrophobicContact CG1-CB 3.93Å; I512-I521 HydrophobicContact CG1-CG2 3.33Å; S517-I521 WeakPolarHBondContact O-CG1 3.33Å; S517-I521 PolarHBondContact O-N 3.42Å; E519-I521 VanDerWaalsContact C-N 3.28Å; E519-I521 PolarHBondContact O-N 2.66Å; I521-L523 VanDerWaalsContact C-N 3.3Å; I521-L523 PolarHBondContact O-N 3.27Å; I521-L524 HydrophobicContact CG2-CB 4.48Å; I521-L524 HydrophobicContact CG2-CD1 4.13Å; I521-L524 WeakPolarHBondContact O-CB 3.22Å; I521-L524 PolarHBondContact O-N 2.88Å; I521-L524 VanDerWaalsContact O-N 3.15Å |
| 522 | G | 67.5 | Low | 71.4 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.6 | -43.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112 | E518 E519 L524 K525 | E518-G522 WeakPolarHBondContact O-CA 3.35Å; E518-G522 PolarHBondContact O-N 3.4Å; E519-G522 WeakPolarHBondContact O-CA 3.24Å; E519-G522 PolarHBondContact O-N 2.97Å; E519-G522 VanDerWaalsContact O-N 3.14Å; G522-L524 VanDerWaalsContact C-N 3.34Å; G522-L524 PolarHBondContact O-N 3.38Å; G522-K525 WeakPolarHBondContact O-CB 3.48Å; G522-K525 WeakPolarHBondContact O-CG 3.41Å; G522-K525 PolarHBondContact O-N 3.27Å |
| 523 | L | 73.4 | Confident | 72.6 | Confident | 107 Ų | 107 | 67.5 Ų | 67.5 | 56% | 0.56 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.7 | -33 | 174.1 | -90.5 | 69.9 | 0 | 0 | 0 | 113 | E519 I521 K525 T526 | E519-L523 WeakPolarHBondContact O-CD1 3.41Å; E519-L523 PolarHBondContact O-N 3Å; E519-L523 VanDerWaalsContact O-N 3.13Å; I521-L523 VanDerWaalsContact C-N 3.3Å; I521-L523 PolarHBondContact O-N 3.27Å; L523-K525 PolarHBondContact O-N 2.95Å; L523-T526 WeakPolarHBondContact O-CB 3.44Å; L523-T526 WeakPolarHBondContact O-CG2 3.46Å; L523-T526 PolarHBondContact O-N 3.33Å; L523-T526 PolarHBondContact O-OG1 2.93Å |
| 524 | L | 76.2 | Confident | 73.8 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.3 | -24.1 | 176.5 | -79 | 168.4 | 0 | 0 | 0 | 113.1 | F508 I521 G522 T526 A527 | F508-L524 HydrophobicContact CD1-CB 4.22Å; F508-L524 HydrophobicContact CG-CB 4.49Å; I521-L524 HydrophobicContact CG2-CB 4.48Å; I521-L524 HydrophobicContact CG2-CD1 4.13Å; I521-L524 WeakPolarHBondContact O-CB 3.22Å; I521-L524 PolarHBondContact O-N 2.88Å; I521-L524 VanDerWaalsContact O-N 3.15Å; G522-L524 VanDerWaalsContact C-N 3.34Å; G522-L524 PolarHBondContact O-N 3.38Å; L524-T526 PolarHBondContact O-N 3.08Å; L524-A527 VanDerWaalsContact O-CB 3.28Å; L524-A527 WeakPolarHBondContact O-CB 3.3Å; L524-A527 PolarHBondContact O-N 3.43Å; L524-A527 VanDerWaalsContact O-N 3.1Å |
| 525 | K | 79.4 | Confident | 75.2 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -60 | -26.8 | 172.9 | -54.5 | -169.8 | -167.9 | -159.5 | 0 | 112.6 | T425 D509 G522 L523 A527 R528 | T425-K525 WeakPolarHBondContact CG2-O 3.31Å; D509-K525 WeakPolarHBondContact OD1-CE 3.46Å; D509-K525 IonicContact OD1-NZ 3.5Å; D509-K525 PolarHBondContact OD1-NZ 3.44Å; G522-K525 WeakPolarHBondContact O-CB 3.48Å; G522-K525 WeakPolarHBondContact O-CG 3.41Å; G522-K525 PolarHBondContact O-N 3.27Å; L523-K525 PolarHBondContact O-N 2.95Å; K525-A527 PolarHBondContact O-N 3.22Å; K525-A527 VanDerWaalsContact O-N 3.16Å; K525-R528 WeakPolarHBondContact O-CB 3.22Å; K525-R528 WeakPolarHBondContact O-CG 3.42Å; K525-R528 PolarHBondContact O-N 3.19Å |
| 526 | T | 83.9 | Confident | 76.4 | Confident | 64 Ų | 64 | 58 Ų | 58 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -61.5 | -21.3 | 176.7 | 66.3 | 0 | 0 | 0 | 0 | 113.1 | L523 L524 R528 L529 | L523-T526 WeakPolarHBondContact O-CB 3.44Å; L523-T526 WeakPolarHBondContact O-CG2 3.46Å; L523-T526 PolarHBondContact O-N 3.33Å; L523-T526 PolarHBondContact O-OG1 2.93Å; L524-T526 PolarHBondContact O-N 3.08Å; T526-R528 PolarHBondContact O-N 3.42Å; T526-R528 VanDerWaalsContact O-N 3.08Å; T526-L529 VanDerWaalsContact O-CB 3.28Å; T526-L529 WeakPolarHBondContact O-CB 3.42Å; T526-L529 PolarHBondContact O-N 2.97Å |
| 527 | A | 85.4 | Confident | 77.6 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -58.7 | -20.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F508 L524 K525 L529 L530 | F508-A527 HydrophobicContact CE2-CB 3.91Å; F508-A527 HydrophobicContact CZ-CB 4.31Å; L524-A527 VanDerWaalsContact O-CB 3.28Å; L524-A527 WeakPolarHBondContact O-CB 3.3Å; L524-A527 PolarHBondContact O-N 3.43Å; L524-A527 VanDerWaalsContact O-N 3.1Å; K525-A527 PolarHBondContact O-N 3.22Å; K525-A527 VanDerWaalsContact O-N 3.16Å; A527-L529 PolarHBondContact O-N 3.24Å; A527-L530 VanDerWaalsContact O-CB 3.31Å; A527-L530 WeakPolarHBondContact O-CB 3.32Å; A527-L530 WeakPolarHBondContact O-CG 3.26Å; A527-L530 PolarHBondContact O-N 3.42Å; A527-L530 VanDerWaalsContact O-N 3.09Å |
| 528 | R | 87.8 | Confident | 78.6 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -58.6 | -24.6 | 169.6 | -69.1 | -177.7 | 163.2 | 139.4 | 7.7 | 112.5 | T425 D456 D460 D509 K525 T526 L530 R531 | T425-R528 HydrophobicContact CG2-CB 4.13Å; D456-R528 IonicContact OD2-NH1 2.74Å; D460-R528 IonicContact OD1-CZ 3.69Å; D460-R528 IonicContact OD1-NE 2.69Å; D460-R528 PolarHBondContact OD1-NE 2.79Å; D460-R528 IonicContact OD1-NH2 2.75Å; D460-R528 IonicContact OD2-CZ 3.52Å; D460-R528 IonicContact OD2-NE 2.67Å; D460-R528 IonicContact OD2-NH2 2.79Å; D460-R528 PolarHBondContact OD2-NH2 2.84Å; D509-R528 IonicContact OD2-CZ 2.84Å; D509-R528 IonicContact OD2-NH1 2.73Å; D509-R528 PolarHBondContact OD2-NH1 2.88Å; D509-R528 IonicContact OD2-NH2 3.78Å; D509-R528 PolarHBondContact OD2-NH2 3.46Å; K525-R528 WeakPolarHBondContact O-CB 3.22Å; K525-R528 WeakPolarHBondContact O-CG 3.42Å; K525-R528 PolarHBondContact O-N 3.19Å; T526-R528 PolarHBondContact O-N 3.42Å; T526-R528 VanDerWaalsContact O-N 3.08Å; R528-L530 PolarHBondContact O-N 3.26Å; R528-R531 WeakPolarHBondContact O-CB 3.42Å; R528-R531 WeakPolarHBondContact O-CD 3.21Å; R528-R531 WeakPolarHBondContact O-CG 3.43Å; R528-R531 PolarHBondContact O-N 2.98Å; R528-R531 VanDerWaalsContact O-N 3.12Å |
| 529 | L | 87.7 | Confident | 79.5 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -64.3 | -21.8 | 175.2 | -69.6 | 165.8 | 0 | 0 | 0 | 113.4 | P426 T526 A527 R531 L532 | P426-L529 HydrophobicContact CG-CD1 4.42Å; P426-L529 HydrophobicContact CG-CD2 3.99Å; T526-L529 VanDerWaalsContact O-CB 3.28Å; T526-L529 WeakPolarHBondContact O-CB 3.42Å; T526-L529 PolarHBondContact O-N 2.97Å; A527-L529 PolarHBondContact O-N 3.24Å; L529-R531 PolarHBondContact O-N 3.19Å; L529-L532 HydrophobicContact CD2-CD1 3.99Å; L529-L532 WeakPolarHBondContact O-CB 3.39Å; L529-L532 PolarHBondContact O-N 3.1Å |
| 530 | L | 88.5 | Confident | 80.2 | Confident | 74 Ų | 74 | 52.6 Ų | 52.6 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -59.1 | -17.9 | 172.9 | -63 | 174.2 | 0 | 0 | 0 | 112.7 | V503 A504 A527 R528 L532 V533 | V503-L530 HydrophobicContact CG1-CD1 3.96Å; A504-L530 HydrophobicContact CB-CB 4.03Å; A527-L530 VanDerWaalsContact O-CB 3.31Å; A527-L530 WeakPolarHBondContact O-CB 3.32Å; A527-L530 WeakPolarHBondContact O-CG 3.26Å; A527-L530 PolarHBondContact O-N 3.42Å; A527-L530 VanDerWaalsContact O-N 3.09Å; R528-L530 PolarHBondContact O-N 3.26Å; L530-L532 PolarHBondContact O-N 3.06Å; L530-V533 WeakPolarHBondContact O-CB 3.47Å; L530-V533 WeakPolarHBondContact O-CG2 3.31Å; L530-V533 PolarHBondContact O-N 3.38Å; L530-V533 VanDerWaalsContact O-N 3.07Å |
| 531 | R | 90.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -58.7 | -24.8 | 171.6 | -64.4 | 168.9 | -175.3 | -171.7 | -0.8 | 112.8 | V418 D460 F463 A504 R528 L529 V533 R534 | V418-R531 HydrophobicContact CG1-CB 4.42Å; V418-R531 HydrophobicContact CG2-CB 4.27Å; D460-R531 IonicContact OD1-CZ 3.2Å; D460-R531 IonicContact OD1-NH1 3.24Å; D460-R531 PolarHBondContact OD1-NH1 2.79Å; D460-R531 IonicContact OD1-NH2 2.79Å; D460-R531 PolarHBondContact OD1-NH2 3.25Å; D460-R531 IonicContact OD2-NH2 3.72Å; F463-R531 HydrophobicContact CE1-CB 4.37Å; F463-R531 HydrophobicContact CE1-CG 4.28Å; F463-R531 HydrophobicContact CE2-CG 4.41Å; F463-R531 HydrophobicContact CZ-CB 4.28Å; F463-R531 HydrophobicContact CZ-CG 4.24Å; A504-R531 HydrophobicContact CB-CG 3.98Å; A504-R531 VanDerWaalsContact O-CZ 3.25Å; A504-R531 PolarHBondContact O-NE 2.95Å; A504-R531 PolarHBondContact O-NH2 3.32Å; R528-R531 WeakPolarHBondContact O-CB 3.42Å; R528-R531 WeakPolarHBondContact O-CD 3.21Å; R528-R531 WeakPolarHBondContact O-CG 3.43Å; R528-R531 PolarHBondContact O-N 2.98Å; R528-R531 VanDerWaalsContact O-N 3.12Å; L529-R531 PolarHBondContact O-N 3.19Å; R531-V533 PolarHBondContact O-N 2.97Å; R531-R534 WeakPolarHBondContact O-CB 3.47Å; R531-R534 VanDerWaalsContact O-CG 3.26Å; R531-R534 WeakPolarHBondContact O-CG 3.27Å; R531-R534 PolarHBondContact O-N 2.91Å |
| 532 | L | 87.3 | Confident | 81.4 | Confident | 44 Ų | 44 | 48.1 Ų | 48.1 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -64.5 | -25.7 | 174.7 | -74.2 | 153.3 | 0 | 0 | 0 | 113.4 | V418 A422 L529 L530 R534 V535 A536 W563 | V418-L532 HydrophobicContact CG1-CD2 3.79Å; V418-L532 HydrophobicContact CG1-CG 3.98Å; A422-L532 HydrophobicContact CB-CD1 3.93Å; A422-L532 HydrophobicContact CB-CD2 3.91Å; A422-L532 HydrophobicContact CB-CG 4.19Å; L529-L532 HydrophobicContact CD2-CD1 3.99Å; L529-L532 WeakPolarHBondContact O-CB 3.39Å; L529-L532 PolarHBondContact O-N 3.1Å; L530-L532 PolarHBondContact O-N 3.06Å; L532-R534 PolarHBondContact O-N 3.1Å; L532-V535 WeakPolarHBondContact O-CB 3.35Å; L532-V535 PolarHBondContact O-N 2.93Å; L532-A536 PolarHBondContact O-N 2.87Å; L532-W563 HydrophobicContact CD1-CH2 3.75Å; L532-W563 HydrophobicContact CD1-CZ2 3.55Å |
| 533 | V | 87.8 | Confident | 81.8 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 28% | 0.279 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.9 | -23.3 | 171.7 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | W497 I500 L530 R531 V535 R537 | W497-V533 HydrophobicContact CE3-CG1 4.44Å; W497-V533 HydrophobicContact CZ3-CG1 3.94Å; I500-V533 HydrophobicContact CG2-CB 4.41Å; I500-V533 HydrophobicContact CG2-CG1 4.49Å; L530-V533 WeakPolarHBondContact O-CB 3.47Å; L530-V533 WeakPolarHBondContact O-CG2 3.31Å; L530-V533 PolarHBondContact O-N 3.38Å; L530-V533 VanDerWaalsContact O-N 3.07Å; R531-V533 PolarHBondContact O-N 2.97Å; V533-V535 PolarHBondContact O-N 3.38Å; V533-R537 WeakPolarHBondContact O-CG 3.4Å; V533-R537 PolarHBondContact O-N 2.9Å; V533-R537 PolarHBondContact O-NE 3.21Å |
| 534 | R | 84.2 | Confident | 82.1 | Confident | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.8 | -22.6 | 171.8 | -49.1 | -143 | 174 | 172.9 | 9.9 | 113.1 | V418 F463 D466 D501 R531 L532 R537 K538 | V418-R534 HydrophobicContact CG2-CB 4.45Å; F463-R534 PolarHBondContact O-NH1 3.06Å; D466-R534 IonicContact OD2-CZ 3.4Å; D466-R534 IonicContact OD2-NH1 3.17Å; D466-R534 PolarHBondContact OD2-NH1 3.35Å; D501-R534 PolarHBondContact O-NH2 3.15Å; D501-R534 WeakPolarHBondContact OD1-CD 3.4Å; D501-R534 IonicContact OD1-CZ 2.8Å; D501-R534 IonicContact OD1-NE 2.7Å; D501-R534 PolarHBondContact OD1-NE 2.86Å; D501-R534 IonicContact OD1-NH2 3.05Å; R531-R534 WeakPolarHBondContact O-CB 3.47Å; R531-R534 VanDerWaalsContact O-CG 3.26Å; R531-R534 WeakPolarHBondContact O-CG 3.27Å; R531-R534 PolarHBondContact O-N 2.91Å; L532-R534 PolarHBondContact O-N 3.1Å; R534-R537 VanDerWaalsContact CG-NH2 3.28Å; R534-K538 WeakPolarHBondContact O-CG 3.34Å |
| 535 | V | 84.4 | Confident | 82.2 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -81.5 | -47.5 | 176.4 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | L415 V418 L532 V533 R537 K538 L539 Y542 | L415-V535 HydrophobicContact CD1-CB 4.36Å; L415-V535 HydrophobicContact CD1-CG1 3.82Å; L415-V535 HydrophobicContact CD1-CG2 3.65Å; V418-V535 HydrophobicContact CB-CG2 4.19Å; V418-V535 HydrophobicContact CG1-CG2 3.71Å; L532-V535 WeakPolarHBondContact O-CB 3.35Å; L532-V535 PolarHBondContact O-N 2.93Å; V533-V535 PolarHBondContact O-N 3.38Å; V535-R537 VanDerWaalsContact C-N 3.3Å; V535-R537 PolarHBondContact O-N 3.15Å; V535-K538 CarbonylContact O-C 3.59Å; V535-K538 WeakPolarHBondContact O-CA 3.24Å; V535-K538 PolarHBondContact O-N 3.09Å; V535-L539 PolarHBondContact O-N 2.82Å; V535-Y542 HydrophobicContact CG1-CE2 4.43Å |
| 536 | A | 79.3 | Confident | 82.2 | Confident | 68 Ų | 68 | 49 Ų | 49 | 56% | 0.562 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -54.1 | -45.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L532 K538 L539 | L532-A536 PolarHBondContact O-N 2.87Å; A536-K538 PolarHBondContact O-N 2.95Å; A536-K538 VanDerWaalsContact O-N 3.1Å; A536-L539 VanDerWaalsContact O-CB 3.26Å; A536-L539 WeakPolarHBondContact O-CB 3.45Å; A536-L539 PolarHBondContact O-N 2.97Å; A536-L539 VanDerWaalsContact O-N 3.12Å |
| 537 | R | 80.1 | Confident | 82 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.6 | 175.3 | -67.5 | -177.3 | -58.3 | 163.8 | -7.9 | 115.5 | W497 D501 V533 R534 V535 | W497-R537 HydrophobicContact CD2-CG 4.14Å; W497-R537 HydrophobicContact CE3-CG 4.29Å; W497-R537 HydrophobicContact CH2-CG 3.91Å; W497-R537 HydrophobicContact CZ2-CG 3.76Å; W497-R537 HydrophobicContact CZ3-CG 4.17Å; D501-R537 VanDerWaalsContact CG-NH2 3.28Å; D501-R537 IonicContact OD1-CZ 2.79Å; D501-R537 IonicContact OD1-NH1 3.23Å; D501-R537 IonicContact OD1-NH2 2.79Å; D501-R537 PolarHBondContact OD1-NH2 3.01Å; D501-R537 IonicContact OD2-CZ 3.13Å; D501-R537 IonicContact OD2-NH1 2.69Å; D501-R537 PolarHBondContact OD2-NH1 2.95Å; D501-R537 IonicContact OD2-NH2 2.7Å; D501-R537 PolarHBondContact OD2-NH2 2.87Å; V533-R537 WeakPolarHBondContact O-CG 3.4Å; V533-R537 PolarHBondContact O-N 2.9Å; V533-R537 PolarHBondContact O-NE 3.21Å; R534-R537 VanDerWaalsContact CG-NH2 3.28Å; V535-R537 VanDerWaalsContact C-N 3.3Å; V535-R537 PolarHBondContact O-N 3.15Å |
| 538 | K | 78.1 | Confident | 81.9 | Confident | 26 Ų | 26 | 49.5 Ų | 49.5 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 2.6 | -179.5 | -61.9 | 177.6 | -167.7 | 176.7 | 0 | 111.7 | D411 R534 V535 A536 D540 R541 Y542 | D411-K538 HydrophobicContact CB-CD 4.41Å; D411-K538 WeakPolarHBondContact OD1-CE 3.12Å; D411-K538 IonicContact OD1-NZ 3.52Å; D411-K538 PolarHBondContact OD1-NZ 3.17Å; R534-K538 WeakPolarHBondContact O-CG 3.34Å; V535-K538 CarbonylContact O-C 3.59Å; V535-K538 WeakPolarHBondContact O-CA 3.24Å; V535-K538 PolarHBondContact O-N 3.09Å; A536-K538 PolarHBondContact O-N 2.95Å; A536-K538 VanDerWaalsContact O-N 3.1Å; K538-D540 VanDerWaalsContact C-N 3.28Å; K538-D540 PolarHBondContact O-N 3.19Å; K538-R541 WeakPolarHBondContact O-CB 3.5Å; K538-R541 PolarHBondContact O-N 2.78Å; K538-Y542 HydrophobicContact CB-CD2 4.35Å; K538-Y542 HydrophobicContact CB-CE2 3.65Å; K538-Y542 VanDerWaalsContact O-CD2 3.29Å; K538-Y542 WeakPolarHBondContact O-CD2 3.41Å; K538-Y542 PolarHBondContact O-N 3.2Å |
| 539 | L | 79.4 | Confident | 81.7 | Confident | 88 Ų | 88 | 51.1 Ų | 51.1 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | -176.7 | -174.5 | 61.3 | 0 | 0 | 0 | 111.9 | V535 A536 R541 Y542 S543 L552 | V535-L539 PolarHBondContact O-N 2.82Å; A536-L539 VanDerWaalsContact O-CB 3.26Å; A536-L539 WeakPolarHBondContact O-CB 3.45Å; A536-L539 PolarHBondContact O-N 2.97Å; A536-L539 VanDerWaalsContact O-N 3.12Å; L539-R541 PolarHBondContact O-N 2.9Å; L539-Y542 CarbonylContact O-C 3.56Å; L539-Y542 PolarHBondContact O-N 2.99Å; L539-S543 WeakPolarHBondContact O-CB 3.39Å; L539-S543 PolarHBondContact O-N 3.08Å; L539-S543 PolarHBondContact O-OG 2.79Å; L539-L552 HydrophobicContact CD1-CD1 4.28Å |
| 540 | D | 75.3 | Confident | 81.6 | Confident | 132 Ų | 132 | 51.5 Ų | 51.5 | 71% | 0.706 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.2 | -27.8 | 176.3 | -65.1 | -18.7 | 0 | 0 | 0 | 114 | K538 S543 E544 | K538-D540 VanDerWaalsContact C-N 3.28Å; K538-D540 PolarHBondContact O-N 3.19Å; D540-S543 WeakPolarHBondContact CA-OG 3.28Å; D540-S543 PolarHBondContact O-OG 2.87Å; D540-E544 WeakPolarHBondContact O-CG 3.4Å |
| 541 | R | 76.5 | Confident | 81.4 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -80.6 | -35.5 | 175.2 | -179.1 | -176.5 | -61.2 | 179.3 | 2.7 | 111.7 | V3 D411 K538 L539 | V3-R541 HydrophobicContact CG2-CB 4.4Å; V3-R541 HydrophobicContact CG2-CG 3.73Å; D411-R541 IonicContact OD2-CZ 3.62Å; D411-R541 IonicContact OD2-NH1 2.63Å; D411-R541 PolarHBondContact OD2-NH1 2.8Å; D411-R541 IonicContact OD2-NH2 2.8Å; K538-R541 WeakPolarHBondContact O-CB 3.5Å; K538-R541 PolarHBondContact O-N 2.78Å; L539-R541 PolarHBondContact O-N 2.9Å |
| 542 | Y | 77.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -78.6 | -31.7 | 179.7 | -54.7 | -46.9 | 0 | 0 | 0 | 111.7 | D411 W412 L415 V535 K538 L539 E544 Y545 L552 | D411-Y542 PolarHBondContact O-OH 3.33Å; W412-Y542 HydrophobicContact CD2-CE1 4.48Å; W412-Y542 HydrophobicContact CH2-CD1 4.09Å; W412-Y542 HydrophobicContact CH2-CE1 4.35Å; W412-Y542 HydrophobicContact CZ2-CD1 4.1Å; W412-Y542 HydrophobicContact CZ2-CE1 4.25Å; L415-Y542 HydrophobicContact CD1-CE2 4.38Å; L415-Y542 HydrophobicContact CD2-CE1 4.25Å; L415-Y542 HydrophobicContact CD2-CE2 4.2Å; V535-Y542 HydrophobicContact CG1-CE2 4.43Å; K538-Y542 HydrophobicContact CB-CD2 4.35Å; K538-Y542 HydrophobicContact CB-CE2 3.65Å; K538-Y542 VanDerWaalsContact O-CD2 3.29Å; K538-Y542 WeakPolarHBondContact O-CD2 3.41Å; K538-Y542 PolarHBondContact O-N 3.2Å; L539-Y542 CarbonylContact O-C 3.56Å; L539-Y542 PolarHBondContact O-N 2.99Å; Y542-E544 PolarHBondContact O-N 2.86Å; Y542-Y545 PolarHBondContact O-N 2.8Å; Y542-Y545 VanDerWaalsContact O-N 3.12Å; Y542-L552 HydrophobicContact CD2-CD1 3.92Å; Y542-L552 HydrophobicContact CG-CD1 3.97Å |
| 543 | S | 76.3 | Confident | 81.2 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.6 | 177.3 | 68.5 | 0 | 0 | 0 | 0 | 114 | L539 D540 Y545 | L539-S543 WeakPolarHBondContact O-CB 3.39Å; L539-S543 PolarHBondContact O-N 3.08Å; L539-S543 PolarHBondContact O-OG 2.79Å; D540-S543 WeakPolarHBondContact CA-OG 3.28Å; D540-S543 PolarHBondContact O-OG 2.87Å; S543-Y545 PolarHBondContact O-N 2.86Å |
| 544 | E | 78.1 | Confident | 81.2 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21.6 | 170.1 | -62.9 | -168.9 | -133.9 | 0 | 0 | 114 | M1 V3 D540 Y542 | M1-E544 WeakPolarHBondContact CA-OE2 3.32Å; M1-E544 WeakPolarHBondContact CB-OE2 3.36Å; M1-E544 PolarHBondContact N-OE2 3.48Å; V3-E544 WeakPolarHBondContact CA-OE1 3.31Å; V3-E544 WeakPolarHBondContact CG2-OE1 3.47Å; V3-E544 PolarHBondContact N-OE1 3.33Å; D540-E544 WeakPolarHBondContact O-CG 3.4Å; Y542-E544 PolarHBondContact O-N 2.86Å |
| 545 | Y | 79.3 | Confident | 81.5 | Confident | 126 Ų | 126 | 56.4 Ų | 56.4 | 49% | 0.494 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -118.2 | 102.2 | -175 | -62.6 | -92.3 | 0 | 0 | 0 | 109.9 | M1 Y542 S543 A547 A548 V549 | M1-Y545 PolarHBondContact O-OH 3.45Å; Y542-Y545 PolarHBondContact O-N 2.8Å; Y542-Y545 VanDerWaalsContact O-N 3.12Å; S543-Y545 PolarHBondContact O-N 2.86Å; Y545-A547 VanDerWaalsContact C-N 3.25Å; Y545-A547 PolarHBondContact O-N 3.26Å; Y545-A547 VanDerWaalsContact O-N 3.13Å; Y545-A548 WeakPolarHBondContact O-CA 3.43Å; Y545-A548 WeakPolarHBondContact O-CB 3.41Å; Y545-A548 PolarHBondContact O-N 3.16Å; Y545-V549 PolarHBondContact O-N 2.59Å |
| 546 | G | 79 | Confident | 81.7 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 25% | 0.247 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.4 | -35.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V549 L550 | G546-V549 PolarHBondContact O-N 3.22Å; G546-L550 PolarHBondContact O-N 2.88Å; G546-L550 VanDerWaalsContact O-N 3.15Å |
| 547 | A | 80.6 | Confident | 82.3 | Confident | 82 Ų | 82 | 56.2 Ų | 56.2 | 68% | 0.678 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.7 | -32.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y545 L550 F551 | Y545-A547 VanDerWaalsContact C-N 3.25Å; Y545-A547 PolarHBondContact O-N 3.26Å; Y545-A547 VanDerWaalsContact O-N 3.13Å; A547-L550 PolarHBondContact O-N 3.42Å; A547-F551 PolarHBondContact O-N 3.46Å |
| 548 | A | 82.1 | Confident | 82.9 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 11% | 0.107 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.7 | -32.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W412 Y545 F551 L552 | W412-A548 HydrophobicContact CH2-CB 4.21Å; Y545-A548 WeakPolarHBondContact O-CA 3.43Å; Y545-A548 WeakPolarHBondContact O-CB 3.41Å; Y545-A548 PolarHBondContact O-N 3.16Å; A548-F551 PolarHBondContact O-N 2.91Å; A548-L552 WeakPolarHBondContact O-CB 3.46Å; A548-L552 WeakPolarHBondContact O-CG 2.91Å; A548-L552 PolarHBondContact O-N 3.18Å |
| 549 | V | 84.4 | Confident | 83.7 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 24% | 0.242 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 170 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | Y545 G546 F551 L552 L553 I662 | Y545-V549 PolarHBondContact O-N 2.59Å; G546-V549 PolarHBondContact O-N 3.22Å; V549-F551 PolarHBondContact O-N 2.94Å; V549-L552 PolarHBondContact O-N 3.26Å; V549-L553 VanDerWaalsContact O-CB 3.24Å; V549-L553 WeakPolarHBondContact O-CB 3.42Å; V549-L553 PolarHBondContact O-N 3.32Å; V549-I662 HydrophobicContact CB-CD1 4.15Å; V549-I662 HydrophobicContact CG1-CD1 3.98Å |
| 550 | L | 83.9 | Confident | 84.4 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 177 | -170.6 | 152.3 | 0 | 0 | 0 | 111.4 | G546 A547 L553 M554 V659 I662 | G546-L550 PolarHBondContact O-N 2.88Å; G546-L550 VanDerWaalsContact O-N 3.15Å; A547-L550 PolarHBondContact O-N 3.42Å; L550-L553 PolarHBondContact O-N 2.98Å; L550-M554 HydrophobicContact CD2-CG 4.11Å; L550-M554 VanDerWaalsContact O-CG 3.32Å; L550-M554 WeakPolarHBondContact O-CG 3.41Å; L550-M554 PolarHBondContact O-N 2.82Å; L550-V659 HydrophobicContact CD1-CG2 4.28Å; L550-V659 HydrophobicContact CG-CG2 4.48Å; L550-I662 HydrophobicContact CB-CD1 4.13Å; L550-I662 HydrophobicContact CD1-CG2 4.45Å |
| 551 | F | 86.3 | Confident | 85.3 | Confident | 119 Ų | 119 | 46 Ų | 46 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 176 | 176.9 | -97.3 | 0 | 0 | 0 | 112.6 | A547 A548 V549 L553 M554 C555 | A547-F551 PolarHBondContact O-N 3.46Å; A548-F551 PolarHBondContact O-N 2.91Å; V549-F551 PolarHBondContact O-N 2.94Å; F551-L553 VanDerWaalsContact C-N 3.32Å; F551-L553 PolarHBondContact O-N 3.43Å; F551-M554 PolarHBondContact O-N 3.12Å; F551-C555 VanDerWaalsContact O-CB 3.29Å; F551-C555 WeakPolarHBondContact O-CB 3.46Å; F551-C555 PolarHBondContact O-N 3Å |
| 552 | L | 85.4 | Confident | 86.2 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 176.9 | -78.1 | 175.5 | 0 | 0 | 0 | 111.8 | L415 L539 Y542 A548 V549 C555 T556 | L415-L552 HydrophobicContact CD1-CD2 4.32Å; L415-L552 HydrophobicContact CD2-CD2 4.21Å; L539-L552 HydrophobicContact CD1-CD1 4.28Å; Y542-L552 HydrophobicContact CD2-CD1 3.92Å; Y542-L552 HydrophobicContact CG-CD1 3.97Å; A548-L552 WeakPolarHBondContact O-CB 3.46Å; A548-L552 WeakPolarHBondContact O-CG 2.91Å; A548-L552 PolarHBondContact O-N 3.18Å; V549-L552 PolarHBondContact O-N 3.26Å; L552-C555 CarbonylContact O-C 3.42Å; L552-C555 WeakPolarHBondContact O-CB 3.17Å; L552-C555 PolarHBondContact O-N 3.43Å; L552-T556 WeakPolarHBondContact O-CG2 3.46Å; L552-T556 PolarHBondContact O-N 3.21Å; L552-T556 PolarHBondContact O-OG1 3.44Å |
| 553 | L | 86.4 | Confident | 87.1 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.5 | -39.9 | -178.9 | -174.5 | 56.9 | 0 | 0 | 0 | 112.5 | V549 L550 F551 C555 T556 F557 I655 N658 | V549-L553 VanDerWaalsContact O-CB 3.24Å; V549-L553 WeakPolarHBondContact O-CB 3.42Å; V549-L553 PolarHBondContact O-N 3.32Å; L550-L553 PolarHBondContact O-N 2.98Å; F551-L553 VanDerWaalsContact C-N 3.32Å; F551-L553 PolarHBondContact O-N 3.43Å; L553-C555 VanDerWaalsContact C-N 3.34Å; L553-T556 WeakPolarHBondContact CA-OG1 3.3Å; L553-T556 PolarHBondContact O-N 3.47Å; L553-T556 PolarHBondContact O-OG1 3.04Å; L553-F557 PolarHBondContact O-N 3.08Å; L553-I655 HydrophobicContact CD1-CG1 4Å; L553-I655 HydrophobicContact CD2-CG1 4.48Å; L553-I655 HydrophobicContact CG-CG1 4.04Å; L553-N658 HydrophobicContact CD2-CB 3.44Å; L553-N658 VanDerWaalsContact CD2-CB 3.44Å |
| 554 | M | 88.9 | Confident | 88 | Confident | 81 Ų | 81 | 45.7 Ų | 45.7 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.2 | -35.5 | 171.8 | -65.8 | -63.6 | 165.8 | 0 | 0 | 111.6 | L550 F551 F557 A558 I655 V659 | L550-M554 HydrophobicContact CD2-CG 4.11Å; L550-M554 VanDerWaalsContact O-CG 3.32Å; L550-M554 WeakPolarHBondContact O-CG 3.41Å; L550-M554 PolarHBondContact O-N 2.82Å; F551-M554 PolarHBondContact O-N 3.12Å; M554-F557 PolarHBondContact O-N 2.75Å; M554-A558 PolarHBondContact O-N 3.1Å; M554-A558 VanDerWaalsContact O-N 3.1Å; M554-I655 HydrophobicContact CE-CG2 3.74Å; M554-I655 HydrophobicContact SD-CG2 4.41Å; M554-V659 HydrophobicContact CE-CG2 3.67Å |
| 555 | C | 89.9 | Confident | 88.8 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 173.6 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | F551 L552 L553 A558 L559 | F551-C555 VanDerWaalsContact O-CB 3.29Å; F551-C555 WeakPolarHBondContact O-CB 3.46Å; F551-C555 PolarHBondContact O-N 3Å; L552-C555 CarbonylContact O-C 3.42Å; L552-C555 WeakPolarHBondContact O-CB 3.17Å; L552-C555 PolarHBondContact O-N 3.43Å; L553-C555 VanDerWaalsContact C-N 3.34Å; C555-A558 PolarHBondContact O-N 3.4Å; C555-L559 WeakPolarHBondContact O-CB 3.45Å; C555-L559 VanDerWaalsContact O-CG 3.25Å; C555-L559 WeakPolarHBondContact O-CG 3.43Å; C555-L559 PolarHBondContact O-N 3.19Å |
| 556 | T | 89.6 | Confident | 89.5 | Confident | 62 Ų | 62 | 37.6 Ų | 37.6 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.7 | -34.3 | 176.7 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | L552 L553 L559 I560 | L552-T556 WeakPolarHBondContact O-CG2 3.46Å; L552-T556 PolarHBondContact O-N 3.21Å; L552-T556 PolarHBondContact O-OG1 3.44Å; L553-T556 WeakPolarHBondContact CA-OG1 3.3Å; L553-T556 PolarHBondContact O-N 3.47Å; L553-T556 PolarHBondContact O-OG1 3.04Å; T556-L559 PolarHBondContact O-N 3.36Å; T556-I560 WeakPolarHBondContact O-CB 3.44Å; T556-I560 WeakPolarHBondContact O-CG1 3.49Å; T556-I560 PolarHBondContact O-N 2.69Å |
| 557 | F | 91.4 | Very high | 90.1 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.5 | -51.1 | 170.3 | -178.1 | -115.3 | 0 | 0 | 0 | 111.8 | L553 M554 L559 I560 A561 F619 L622 T623 M651 I655 | L553-F557 PolarHBondContact O-N 3.08Å; M554-F557 PolarHBondContact O-N 2.75Å; F557-L559 PolarHBondContact O-N 3.12Å; F557-I560 PolarHBondContact O-N 3.39Å; F557-A561 WeakPolarHBondContact O-CB 3.38Å; F557-A561 PolarHBondContact O-N 3.01Å; F557-F619 HydrophobicContact CD1-CE1 4.1Å; F557-F619 AromaticContact CE1-CD1 3.94Å; F557-F619 HydrophobicContact CE1-CD1 3.94Å; F557-F619 AromaticContact CE1-CE1 3.63Å; F557-F619 HydrophobicContact CE1-CE1 3.63Å; F557-F619 HydrophobicContact CZ-CD1 4.33Å; F557-F619 HydrophobicContact CZ-CE1 4.38Å; F557-L622 HydrophobicContact CE2-CB 4.01Å; F557-L622 HydrophobicContact CZ-CB 4.23Å; F557-T623 HydrophobicContact CE1-CG2 4.32Å; F557-T623 HydrophobicContact CZ-CG2 3.79Å; F557-M651 HydrophobicContact CD2-CE 4.09Å; F557-I655 HydrophobicContact CB-CD1 3.78Å; F557-I655 HydrophobicContact CD2-CD1 3.39Å; F557-I655 HydrophobicContact CE2-CD1 4.13Å; F557-I655 HydrophobicContact CG-CD1 3.71Å |
| 558 | A | 92.9 | Very high | 90.8 | Very high | 42 Ų | 42 | 36.4 Ų | 36.4 | 35% | 0.347 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M554 C555 H562 F619 | M554-A558 PolarHBondContact O-N 3.1Å; M554-A558 VanDerWaalsContact O-N 3.1Å; C555-A558 PolarHBondContact O-N 3.4Å; A558-H562 VanDerWaalsContact O-CB 3.32Å; A558-H562 WeakPolarHBondContact O-CB 3.42Å; A558-H562 PolarHBondContact O-N 3.01Å; A558-F619 HydrophobicContact CB-CZ 4.32Å |
| 559 | L | 93.7 | Very high | 91.3 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 175.9 | -75.8 | 168.6 | 0 | 0 | 0 | 112.4 | A422 V423 C555 T556 F557 H562 W563 | A422-L559 HydrophobicContact CB-CD1 4.36Å; A422-L559 HydrophobicContact CB-CD2 3.75Å; V423-L559 HydrophobicContact CG2-CD2 3.61Å; C555-L559 WeakPolarHBondContact O-CB 3.45Å; C555-L559 VanDerWaalsContact O-CG 3.25Å; C555-L559 WeakPolarHBondContact O-CG 3.43Å; C555-L559 PolarHBondContact O-N 3.19Å; T556-L559 PolarHBondContact O-N 3.36Å; F557-L559 PolarHBondContact O-N 3.12Å; L559-H562 WeakPolarHBondContact O-CB 3.44Å; L559-H562 PolarHBondContact O-N 2.86Å; L559-W563 HydrophobicContact CB-CZ2 4.46Å; L559-W563 VanDerWaalsContact O-CD1 3.26Å; L559-W563 PolarHBondContact O-N 2.88Å |
| 560 | I | 93.9 | Very high | 91.5 | Very high | 44 Ų | 44 | 36.4 Ų | 36.4 | 23% | 0.226 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.8 | -38.8 | 179.3 | -70.7 | 164.1 | 0 | 0 | 0 | 110.8 | T556 F557 H562 W563 L564 M651 | T556-I560 WeakPolarHBondContact O-CB 3.44Å; T556-I560 WeakPolarHBondContact O-CG1 3.49Å; T556-I560 PolarHBondContact O-N 2.69Å; F557-I560 PolarHBondContact O-N 3.39Å; I560-H562 VanDerWaalsContact C-N 3.29Å; I560-H562 PolarHBondContact O-N 2.67Å; I560-W563 HydrophobicContact CG1-CE3 4.25Å; I560-W563 HydrophobicContact CG1-CZ3 4.32Å; I560-W563 PolarHBondContact O-N 2.7Å; I560-L564 HydrophobicContact CG2-CD1 3.77Å; I560-L564 HydrophobicContact CG2-CG 4.35Å; I560-L564 WeakPolarHBondContact O-CB 3.36Å; I560-L564 VanDerWaalsContact O-CG 3.26Å; I560-L564 WeakPolarHBondContact O-CG 3.35Å; I560-L564 PolarHBondContact O-N 2.84Å; I560-M651 HydrophobicContact CB-CE 4.02Å; I560-M651 HydrophobicContact CB-SD 4.14Å; I560-M651 HydrophobicContact CD1-CE 3.46Å; I560-M651 VanDerWaalsContact CD1-CE 3.46Å; I560-M651 HydrophobicContact CD1-SD 3.81Å; I560-M651 HydrophobicContact CG1-CE 4.3Å; I560-M651 HydrophobicContact CG2-CE 4.23Å; I560-M651 HydrophobicContact CG2-SD 3.66Å |
| 561 | A | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58 | -41.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F557 A565 T618 F619 L622 | F557-A561 WeakPolarHBondContact O-CB 3.38Å; F557-A561 PolarHBondContact O-N 3.01Å; A561-A565 WeakPolarHBondContact O-CB 3.17Å; A561-A565 PolarHBondContact O-N 2.79Å; A561-T618 PolarHBondContact O-OG1 2.72Å; A561-F619 HydrophobicContact CB-CD1 4.34Å; A561-F619 HydrophobicContact CB-CD2 3.71Å; A561-F619 HydrophobicContact CB-CE1 4.15Å; A561-F619 HydrophobicContact CB-CE2 3.48Å; A561-F619 VanDerWaalsContact CB-CE2 3.48Å; A561-F619 HydrophobicContact CB-CG 4.15Å; A561-F619 HydrophobicContact CB-CZ 3.72Å; A561-L622 VanDerWaalsContact CA-CD1 3.49Å; A561-L622 HydrophobicContact CB-CD1 3.55Å |
| 562 | H | 95.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 3% | 0.032 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 175.3 | 172.4 | 60.3 | 0 | 0 | 0 | 113.4 | V423 Y427 A558 L559 I560 A565 C566 Y611 | V423-H562 WeakPolarHBondContact CA-NE2 3.31Å; V423-H562 PolarHBondContact O-NE2 2.94Å; Y427-H562 WeakPolarHBondContact CB-CE1 3.49Å; Y427-H562 AromaticContact CD2-CE1 3.67Å; Y427-H562 AromaticContact CG-CE1 3.87Å; Y427-H562 PolarHBondContact N-NE2 2.83Å; A558-H562 VanDerWaalsContact O-CB 3.32Å; A558-H562 WeakPolarHBondContact O-CB 3.42Å; A558-H562 PolarHBondContact O-N 3.01Å; L559-H562 WeakPolarHBondContact O-CB 3.44Å; L559-H562 PolarHBondContact O-N 2.86Å; I560-H562 VanDerWaalsContact C-N 3.29Å; I560-H562 PolarHBondContact O-N 2.67Å; H562-A565 WeakPolarHBondContact O-CB 3.38Å; H562-A565 PolarHBondContact O-N 2.99Å; H562-C566 PolarHBondContact CE1-SG 2.9Å; H562-C566 PolarHBondContact O-N 3.21Å; H562-C566 PolarHBondContact O-SG 3.42Å; H562-Y611 AromaticContact CE1-CE2 3.2Å; H562-Y611 WeakPolarHBondContact CE1-CE2 3.35Å; H562-Y611 AromaticContact CE1-CZ 3.79Å; H562-Y611 AromaticContact ND1-CE2 3.56Å; H562-Y611 AromaticContact ND1-CZ 3.87Å; H562-Y611 PolarHBondContact ND1-OH 3.49Å |
| 563 | W | 95.5 | Very high | 91.6 | Very high | 78 Ų | 78 | 30 Ų | 30 | 30% | 0.295 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.3 | -62.3 | -11.5 | 0 | 0 | 0 | 111.6 | A422 L532 L559 I560 A565 C566 I567 | A422-W563 HydrophobicContact CB-CZ2 4.35Å; A422-W563 PolarHBondContact O-NE1 3.24Å; L532-W563 HydrophobicContact CD1-CH2 3.75Å; L532-W563 HydrophobicContact CD1-CZ2 3.55Å; L559-W563 HydrophobicContact CB-CZ2 4.46Å; L559-W563 VanDerWaalsContact O-CD1 3.26Å; L559-W563 PolarHBondContact O-N 2.88Å; I560-W563 HydrophobicContact CG1-CE3 4.25Å; I560-W563 HydrophobicContact CG1-CZ3 4.32Å; I560-W563 PolarHBondContact O-N 2.7Å; W563-A565 VanDerWaalsContact C-N 3.28Å; W563-A565 PolarHBondContact O-N 3.09Å; W563-C566 WeakPolarHBondContact O-CB 3.46Å; W563-C566 PolarHBondContact O-N 3.09Å; W563-I567 WeakPolarHBondContact O-CG1 3.44Å; W563-I567 PolarHBondContact O-N 2.88Å |
| 564 | L | 95.2 | Very high | 91.3 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 9% | 0.094 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -35.5 | 174.7 | -67.7 | 169.5 | 0 | 0 | 0 | 111.1 | I560 I567 W568 T618 L622 F640 V644 | I560-L564 HydrophobicContact CG2-CD1 3.77Å; I560-L564 HydrophobicContact CG2-CG 4.35Å; I560-L564 WeakPolarHBondContact O-CB 3.36Å; I560-L564 VanDerWaalsContact O-CG 3.26Å; I560-L564 WeakPolarHBondContact O-CG 3.35Å; I560-L564 PolarHBondContact O-N 2.84Å; L564-I567 HydrophobicContact CD2-CD1 4.49Å; L564-I567 PolarHBondContact O-N 3.45Å; L564-W568 VanDerWaalsContact O-CB 3.27Å; L564-W568 WeakPolarHBondContact O-CB 3.43Å; L564-W568 PolarHBondContact O-N 3.45Å; L564-T618 HydrophobicContact CB-CG2 3.92Å; L564-L622 HydrophobicContact CD1-CD1 4.11Å; L564-L622 HydrophobicContact CD1-CD2 4Å; L564-L622 HydrophobicContact CD1-CG 4.43Å; L564-F640 HydrophobicContact CB-CZ 4.08Å; L564-F640 HydrophobicContact CD2-CE2 3.9Å; L564-F640 HydrophobicContact CD2-CZ 3.87Å; L564-F640 WeakPolarHBondContact O-CZ 3.31Å; L564-V644 HydrophobicContact CD1-CG1 4.39Å; L564-V644 HydrophobicContact CD1-CG2 4.16Å; L564-V644 HydrophobicContact CD2-CG2 4.07Å; L564-V644 HydrophobicContact CG-CG2 4.49Å |
| 565 | A | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.7 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A561 H562 W563 Y569 A614 L615 T618 | A561-A565 WeakPolarHBondContact O-CB 3.17Å; A561-A565 PolarHBondContact O-N 2.79Å; H562-A565 WeakPolarHBondContact O-CB 3.38Å; H562-A565 PolarHBondContact O-N 2.99Å; W563-A565 VanDerWaalsContact C-N 3.28Å; W563-A565 PolarHBondContact O-N 3.09Å; A565-Y569 PolarHBondContact O-N 3.24Å; A565-A614 HydrophobicContact CB-CB 4.11Å; A565-L615 HydrophobicContact CB-CB 4.07Å; A565-T618 HydrophobicContact CB-CG2 4.37Å |
| 566 | C | 93.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 174.2 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | P426 A430 H562 W563 Y569 A570 | P426-C566 HydrophobicContact CB-CB 4.29Å; A430-C566 HydrophobicContact CB-CB 3.91Å; H562-C566 PolarHBondContact CE1-SG 2.9Å; H562-C566 PolarHBondContact O-N 3.21Å; H562-C566 PolarHBondContact O-SG 3.42Å; W563-C566 WeakPolarHBondContact O-CB 3.46Å; W563-C566 PolarHBondContact O-N 3.09Å; C566-Y569 PolarHBondContact O-N 3.05Å; C566-A570 WeakPolarHBondContact O-CB 3.49Å; C566-A570 PolarHBondContact O-N 3.44Å |
| 567 | I | 93.2 | Very high | 88.9 | Confident | 81 Ų | 81 | 35.8 Ų | 35.8 | 42% | 0.415 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 176.4 | -64.5 | 161.8 | 0 | 0 | 0 | 111 | W563 L564 Y569 A570 I571 F640 | W563-I567 WeakPolarHBondContact O-CG1 3.44Å; W563-I567 PolarHBondContact O-N 2.88Å; L564-I567 HydrophobicContact CD2-CD1 4.49Å; L564-I567 PolarHBondContact O-N 3.45Å; I567-Y569 VanDerWaalsContact C-N 3.29Å; I567-Y569 PolarHBondContact O-N 2.72Å; I567-A570 WeakPolarHBondContact O-CB 3.38Å; I567-A570 PolarHBondContact O-N 2.8Å; I567-A570 VanDerWaalsContact O-N 3.12Å; I567-I571 HydrophobicContact CG2-CD1 4.02Å; I567-I571 HydrophobicContact CG2-CG1 4.46Å; I567-I571 WeakPolarHBondContact O-CG1 3.46Å; I567-I571 PolarHBondContact O-N 3.48Å; I567-F640 HydrophobicContact CB-CE2 4Å; I567-F640 HydrophobicContact CB-CZ 4.32Å; I567-F640 HydrophobicContact CG2-CD2 4.03Å; I567-F640 HydrophobicContact CG2-CE2 3.48Å; I567-F640 VanDerWaalsContact CG2-CE2 3.48Å; I567-F640 HydrophobicContact CG2-CZ 4.21Å |
| 568 | W | 94.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.8 | -39 | 175.4 | -179.6 | -111.8 | 0 | 0 | 0 | 112.7 | L564 G572 W585 F617 T618 V630 P632 E637 F640 | L564-W568 VanDerWaalsContact O-CB 3.27Å; L564-W568 WeakPolarHBondContact O-CB 3.43Å; L564-W568 PolarHBondContact O-N 3.45Å; W568-G572 PolarHBondContact O-N 3.14Å; W568-W585 AromaticContact CD1-CE2 3.5Å; W568-W585 AromaticContact CD1-CH2 3.82Å; W568-W585 AromaticContact CD1-CZ2 3.37Å; W568-W585 AromaticContact CD1-NE1 3.87Å; W568-W585 AromaticContact CD2-NE1 3.92Å; W568-W585 AromaticContact CE2-CD1 3.6Å; W568-W585 AromaticContact CE2-CD2 3.69Å; W568-W585 AromaticContact CE2-CE2 3.68Å; W568-W585 AromaticContact CE2-CG 3.68Å; W568-W585 AromaticContact CE2-NE1 3.58Å; W568-W585 HydrophobicContact CG-CZ2 4.25Å; W568-W585 HydrophobicContact CH2-CB 4.37Å; W568-W585 HydrophobicContact CH2-CG 4.28Å; W568-W585 HydrophobicContact CZ2-CB 3.69Å; W568-W585 AromaticContact CZ2-CD1 3.54Å; W568-W585 AromaticContact CZ2-CD2 3.91Å; W568-W585 HydrophobicContact CZ2-CD2 3.91Å; W568-W585 AromaticContact CZ2-CG 3.44Å; W568-W585 HydrophobicContact CZ2-CG 3.44Å; W568-W585 VanDerWaalsContact CZ2-CG 3.44Å; W568-W585 AromaticContact NE1-CD1 3.89Å; W568-W585 AromaticContact NE1-CD2 3.25Å; W568-W585 AromaticContact NE1-CE2 3.14Å; W568-W585 AromaticContact NE1-CE3 3.59Å; W568-W585 AromaticContact NE1-CG 3.77Å; W568-W585 AromaticContact NE1-CH2 3.77Å; W568-W585 AromaticContact NE1-CZ2 3.43Å; W568-W585 AromaticContact NE1-CZ3 3.82Å; W568-W585 AromaticContact NE1-NE1 3.53Å; W568-W585 PolarHBondContact O-NE1 2.77Å; W568-W585 VanDerWaalsContact O-NE1 3.11Å; W568-F617 AromaticContact CD1-CD1 3.86Å; W568-F617 AromaticContact CD2-CD1 3.62Å; W568-F617 HydrophobicContact CD2-CD1 3.62Å; W568-F617 AromaticContact CD2-CE1 3.57Å; W568-F617 HydrophobicContact CD2-CE1 3.57Å; W568-F617 AromaticContact CE2-CD1 3.39Å; W568-F617 AromaticContact CE2-CE1 3.52Å; W568-F617 HydrophobicContact CE3-CD1 4.24Å; W568-F617 AromaticContact CE3-CE1 3.69Å; W568-F617 HydrophobicContact CE3-CE1 3.69Å; W568-F617 AromaticContact CG-CD1 3.9Å; W568-F617 HydrophobicContact CG-CD1 3.9Å; W568-F617 HydrophobicContact CG-CE1 4.25Å; W568-F617 HydrophobicContact CH2-CD1 4.37Å; W568-F617 AromaticContact CH2-CE1 3.7Å; W568-F617 HydrophobicContact CH2-CE1 3.7Å; W568-F617 AromaticContact CH2-CZ 3.79Å; W568-F617 HydrophobicContact CH2-CZ 3.79Å; W568-F617 AromaticContact CZ2-CD1 3.81Å; W568-F617 HydrophobicContact CZ2-CD1 3.81Å; W568-F617 AromaticContact CZ2-CE1 3.62Å; W568-F617 HydrophobicContact CZ2-CE1 3.62Å; W568-F617 HydrophobicContact CZ2-CE2 4.34Å; W568-F617 HydrophobicContact CZ2-CG 4.26Å; W568-F617 AromaticContact CZ2-CZ 3.9Å; W568-F617 HydrophobicContact CZ2-CZ 3.9Å; W568-F617 AromaticContact CZ3-CE1 3.74Å; W568-F617 HydrophobicContact CZ3-CE1 3.74Å; W568-F617 HydrophobicContact CZ3-CZ 4.11Å; W568-F617 AromaticContact NE1-CD1 3.55Å; W568-F617 AromaticContact NE1-CG 3.98Å; W568-T618 HydrophobicContact CB-CG2 4.45Å; W568-V630 HydrophobicContact CZ2-CG1 4.21Å; W568-P632 HydrophobicContact CH2-CB 4.06Å; W568-E637 HydrophobicContact CH2-CB 3.79Å; W568-E637 HydrophobicContact CH2-CG 3.8Å; W568-E637 HydrophobicContact CZ3-CB 3.72Å; W568-E637 HydrophobicContact CZ3-CG 3.81Å; W568-F640 HydrophobicContact CB-CE1 3.89Å; W568-F640 HydrophobicContact CB-CZ 4.24Å; W568-F640 HydrophobicContact CD2-CD1 4.39Å; W568-F640 HydrophobicContact CD2-CE1 4.26Å; W568-F640 AromaticContact CE3-CD1 3.37Å; W568-F640 HydrophobicContact CE3-CD1 3.37Å; W568-F640 AromaticContact CE3-CE1 3.65Å; W568-F640 HydrophobicContact CE3-CE1 3.65Å; W568-F640 HydrophobicContact CE3-CG 4.34Å; W568-F640 HydrophobicContact CG-CE1 4.4Å; W568-F640 AromaticContact CZ3-CD1 3.87Å; W568-F640 HydrophobicContact CZ3-CD1 3.87Å |
| 569 | Y | 91.9 | Very high | 85.7 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.7 | -41.8 | 171.5 | -177.2 | -106.7 | 0 | 0 | 0 | 113.1 | A430 F431 A565 C566 I567 I571 G572 N573 W585 L586 K610 | A430-Y569 WeakPolarHBondContact O-CD1 3.29Å; A430-Y569 VanDerWaalsContact O-CE1 3.3Å; A430-Y569 WeakPolarHBondContact O-CE1 3.3Å; F431-Y569 AromaticContact CD1-CD1 3.52Å; F431-Y569 HydrophobicContact CD1-CD1 3.52Å; F431-Y569 HydrophobicContact CD1-CD2 4.41Å; F431-Y569 AromaticContact CD1-CE1 3.51Å; F431-Y569 HydrophobicContact CD1-CE1 3.51Å; F431-Y569 HydrophobicContact CD1-CE2 4.42Å; F431-Y569 AromaticContact CD1-CG 3.99Å; F431-Y569 HydrophobicContact CD1-CG 3.99Å; F431-Y569 AromaticContact CD1-CZ 3.99Å; F431-Y569 HydrophobicContact CD2-CD1 4.3Å; F431-Y569 AromaticContact CE1-CD1 3.35Å; F431-Y569 HydrophobicContact CE1-CD1 3.35Å; F431-Y569 AromaticContact CE1-CD2 3.71Å; F431-Y569 HydrophobicContact CE1-CD2 3.71Å; F431-Y569 AromaticContact CE1-CE1 3.76Å; F431-Y569 HydrophobicContact CE1-CE1 3.76Å; F431-Y569 HydrophobicContact CE1-CE2 4.09Å; F431-Y569 AromaticContact CE1-CG 3.32Å; F431-Y569 HydrophobicContact CE1-CG 3.32Å; F431-Y569 HydrophobicContact CE2-CD1 4.16Å; F431-Y569 HydrophobicContact CE2-CG 4.36Å; F431-Y569 HydrophobicContact CG-CD1 4.01Å; F431-Y569 HydrophobicContact CG-CE1 4.11Å; F431-Y569 AromaticContact CZ-CD1 3.7Å; F431-Y569 HydrophobicContact CZ-CD1 3.7Å; F431-Y569 HydrophobicContact CZ-CD2 4.27Å; F431-Y569 AromaticContact CZ-CG 3.54Å; F431-Y569 HydrophobicContact CZ-CG 3.54Å; A565-Y569 PolarHBondContact O-N 3.24Å; C566-Y569 PolarHBondContact O-N 3.05Å; I567-Y569 VanDerWaalsContact C-N 3.29Å; I567-Y569 PolarHBondContact O-N 2.72Å; Y569-I571 VanDerWaalsContact C-N 3.35Å; Y569-I571 PolarHBondContact O-N 3.07Å; Y569-G572 PolarHBondContact O-N 2.81Å; Y569-N573 PolarHBondContact O-N 2.71Å; Y569-W585 HydrophobicContact CD2-CZ2 4.35Å; Y569-L586 HydrophobicContact CE2-CD1 4.4Å; Y569-L586 HydrophobicContact CE2-CD2 4.33Å; Y569-K610 HydrophobicContact CD2-CB 4.28Å; Y569-K610 HydrophobicContact CE2-CB 3.97Å; Y569-K610 HydrophobicContact CE2-CD 3.77Å; Y569-K610 HydrophobicContact CE2-CG 4.09Å |
| 570 | A | 88.8 | Confident | 83.8 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 31% | 0.306 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C566 I567 N573 M574 | C566-A570 WeakPolarHBondContact O-CB 3.49Å; C566-A570 PolarHBondContact O-N 3.44Å; I567-A570 WeakPolarHBondContact O-CB 3.38Å; I567-A570 PolarHBondContact O-N 2.8Å; I567-A570 VanDerWaalsContact O-N 3.12Å; A570-N573 PolarHBondContact O-N 3.28Å; A570-M574 WeakPolarHBondContact O-CB 3.29Å; A570-M574 WeakPolarHBondContact O-CG 3.45Å; A570-M574 PolarHBondContact O-N 3.29Å |
| 571 | I | 89.5 | Confident | 82.1 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56 | -53.5 | 173.5 | -67.2 | 164.3 | 0 | 0 | 0 | 110.3 | I567 Y569 N573 M574 E575 S636 E637 F640 | I567-I571 HydrophobicContact CG2-CD1 4.02Å; I567-I571 HydrophobicContact CG2-CG1 4.46Å; I567-I571 WeakPolarHBondContact O-CG1 3.46Å; I567-I571 PolarHBondContact O-N 3.48Å; Y569-I571 VanDerWaalsContact C-N 3.35Å; Y569-I571 PolarHBondContact O-N 3.07Å; I571-N573 VanDerWaalsContact C-N 3.27Å; I571-N573 PolarHBondContact O-N 3.48Å; I571-M574 PolarHBondContact O-N 3.29Å; I571-M574 VanDerWaalsContact O-N 3.09Å; I571-E575 PolarHBondContact O-N 3.24Å; I571-S636 WeakPolarHBondContact CG2-OG 3.29Å; I571-E637 HydrophobicContact CG2-CG 4.39Å; I571-F640 HydrophobicContact CD1-CB 3.89Å; I571-F640 HydrophobicContact CD1-CD1 4.42Å; I571-F640 HydrophobicContact CD1-CD2 3.73Å; I571-F640 HydrophobicContact CD1-CE2 4.38Å; I571-F640 HydrophobicContact CD1-CG 3.75Å |
| 572 | G | 86.7 | Confident | 80.7 | Confident | 8 Ų | 8 | 60 Ų | 60 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -27.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | W568 Y569 | W568-G572 PolarHBondContact O-N 3.14Å; Y569-G572 PolarHBondContact O-N 2.81Å |
| 573 | N | 82.6 | Confident | 79.9 | Confident | 25 Ų | 25 | 63.4 Ų | 63.4 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -85.8 | -27.5 | 174.1 | 173.6 | 77.3 | 0 | 0 | 0 | 113.1 | K434 Y569 A570 I571 P577 | K434-N573 PolarHBondContact NZ-OD1 3.1Å; Y569-N573 PolarHBondContact O-N 2.71Å; A570-N573 PolarHBondContact O-N 3.28Å; I571-N573 VanDerWaalsContact C-N 3.27Å; I571-N573 PolarHBondContact O-N 3.48Å; N573-P577 WeakPolarHBondContact O-CD 3.47Å |
| 574 | M | 80.3 | Confident | 79.4 | Confident | 119 Ų | 119 | 60.2 Ų | 60.2 | 59% | 0.586 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -79.9 | -30.8 | 177.5 | -70 | -74.3 | 100.5 | 0 | 0 | 113.3 | A570 I571 P577 H578 | A570-M574 WeakPolarHBondContact O-CB 3.29Å; A570-M574 WeakPolarHBondContact O-CG 3.45Å; A570-M574 PolarHBondContact O-N 3.29Å; I571-M574 PolarHBondContact O-N 3.29Å; I571-M574 VanDerWaalsContact O-N 3.09Å; M574-P577 WeakPolarHBondContact O-CD 3.42Å; M574-H578 PolarHBondContact O-ND1 3.24Å |
| 575 | E | 80.2 | Confident | 79.1 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -76.4 | -22.9 | 172 | -66.2 | -164.8 | 145.3 | 0 | 0 | 112.5 | I571 H578 M579 T634 S636 | I571-E575 PolarHBondContact O-N 3.24Å; E575-H578 PolarHBondContact O-N 3.36Å; E575-M579 PolarHBondContact O-N 3.4Å; E575-T634 PolarHBondContact OE1-OG1 2.67Å; E575-T634 WeakPolarHBondContact OE2-CB 3.47Å; E575-T634 VanDerWaalsContact OE2-CG2 3.31Å; E575-T634 WeakPolarHBondContact OE2-CG2 3.26Å; E575-T634 PolarHBondContact OE2-OG1 3.36Å; E575-S636 WeakPolarHBondContact OE1-CB 3.5Å; E575-S636 PolarHBondContact OE1-OG 3.02Å; E575-S636 PolarHBondContact OE2-OG 3.42Å |
| 576 | Q | 72.1 | Confident | 78.7 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 20% | 0.201 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -55.4 | -43.5 | -175.7 | -170.1 | 170.7 | 18.5 | 0 | 0 | 115.5 | H578 Y597 | Q576-H578 VanDerWaalsContact C-N 3.34Å; Q576-Y597 VanDerWaalsContact NE2-CE1 3.33Å |
| 577 | P | 64 | Low | 78.3 | Confident | 100 Ų | 100 | 60.9 Ų | 60.9 | 65% | 0.649 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -81.8 | -5.7 | 176.6 | 32.3 | -36.4 | 0 | 0 | 0 | 114.6 | N573 M574 | N573-P577 WeakPolarHBondContact O-CD 3.47Å; M574-P577 WeakPolarHBondContact O-CD 3.42Å |
| 578 | H | 60.1 | Low | 78 | Confident | 158 Ų | 158 | 59.3 Ų | 59.3 | 73% | 0.731 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -105.1 | -0.1 | -173.2 | -69.2 | 106 | 0 | 0 | 0 | 114.3 | M574 E575 Q576 | M574-H578 PolarHBondContact O-ND1 3.24Å; E575-H578 PolarHBondContact O-N 3.36Å; Q576-H578 VanDerWaalsContact C-N 3.34Å |
| 579 | M | 57.8 | Low | 77.7 | Confident | 95 Ų | 95 | 59.7 Ų | 59.7 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | trans | -135.2 | 122.1 | 178.1 | -79.7 | -161.3 | 128.7 | 0 | 0 | 113.1 | E575 S581 I583 | E575-M579 PolarHBondContact O-N 3.4Å; M579-S581 PolarHBondContact O-N 3.06Å; M579-S581 VanDerWaalsContact O-N 3.16Å; M579-I583 HydrophobicContact CE-CD1 3.89Å; M579-I583 HydrophobicContact SD-CD1 3.83Å; M579-I583 HydrophobicContact SD-CG1 3.94Å | ||
| 580 | D | 54.4 | Low | 77.4 | Confident | 178 Ų | 178 | 59 Ų | 59 | 95% | 0.952 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -66 | -10.1 | 167.9 | -57 | -60.8 | 0 | 0 | 0 | 113.4 | ||
| 581 | S | 57.4 | Low | 77.3 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -105.6 | 125.2 | -173.3 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | M579 I583 | M579-S581 PolarHBondContact O-N 3.06Å; M579-S581 VanDerWaalsContact O-N 3.16Å; S581-I583 PolarHBondContact O-N 2.9Å |
| 582 | R | 66.9 | Low | 77.1 | Confident | 135 Ų | 135 | 64.8 Ų | 64.8 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 46.8 | -177 | -59.3 | -178.5 | 178.3 | -161.4 | -2.8 | 114.6 | H587 | R582-H587 HydrophobicContact CB-CB 4.24Š|
| 583 | I | 77.9 | Confident | 77.1 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 41% | 0.405 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -24.4 | -170.4 | 63.3 | 168.3 | 0 | 0 | 0 | 115.3 | M579 S581 N633 T634 | M579-I583 HydrophobicContact CE-CD1 3.89Å; M579-I583 HydrophobicContact SD-CD1 3.83Å; M579-I583 HydrophobicContact SD-CG1 3.94Å; S581-I583 PolarHBondContact O-N 2.9Å; I583-N633 WeakPolarHBondContact O-CB 3.49Å; I583-N633 PolarHBondContact O-ND2 3.37Å; I583-T634 HydrophobicContact CD1-CG2 4.31Å; I583-T634 HydrophobicContact CG1-CG2 4.24Å |
| 584 | G | 84.4 | Confident | 77.2 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -68.3 | 157 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | L586 H587 N588 E637 | G584-L586 PolarHBondContact O-N 3.37Å; G584-L586 VanDerWaalsContact O-N 3.07Å; G584-H587 PolarHBondContact O-N 3.29Å; G584-N588 PolarHBondContact O-N 2.97Å; G584-E637 WeakPolarHBondContact CA-OE1 3.21Å |
| 585 | W | 89.2 | Confident | 77.4 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 1% | 0.011 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.5 | -34.5 | -171.6 | 82.5 | -95.2 | 0 | 0 | 0 | 113.5 | W568 Y569 N588 L589 T613 A614 V630 E637 | W568-W585 AromaticContact CD1-CE2 3.5Å; W568-W585 AromaticContact CD1-CH2 3.82Å; W568-W585 AromaticContact CD1-CZ2 3.37Å; W568-W585 AromaticContact CD1-NE1 3.87Å; W568-W585 AromaticContact CD2-NE1 3.92Å; W568-W585 AromaticContact CE2-CD1 3.6Å; W568-W585 AromaticContact CE2-CD2 3.69Å; W568-W585 AromaticContact CE2-CE2 3.68Å; W568-W585 AromaticContact CE2-CG 3.68Å; W568-W585 AromaticContact CE2-NE1 3.58Å; W568-W585 HydrophobicContact CG-CZ2 4.25Å; W568-W585 HydrophobicContact CH2-CB 4.37Å; W568-W585 HydrophobicContact CH2-CG 4.28Å; W568-W585 HydrophobicContact CZ2-CB 3.69Å; W568-W585 AromaticContact CZ2-CD1 3.54Å; W568-W585 AromaticContact CZ2-CD2 3.91Å; W568-W585 HydrophobicContact CZ2-CD2 3.91Å; W568-W585 AromaticContact CZ2-CG 3.44Å; W568-W585 HydrophobicContact CZ2-CG 3.44Å; W568-W585 VanDerWaalsContact CZ2-CG 3.44Å; W568-W585 AromaticContact NE1-CD1 3.89Å; W568-W585 AromaticContact NE1-CD2 3.25Å; W568-W585 AromaticContact NE1-CE2 3.14Å; W568-W585 AromaticContact NE1-CE3 3.59Å; W568-W585 AromaticContact NE1-CG 3.77Å; W568-W585 AromaticContact NE1-CH2 3.77Å; W568-W585 AromaticContact NE1-CZ2 3.43Å; W568-W585 AromaticContact NE1-CZ3 3.82Å; W568-W585 AromaticContact NE1-NE1 3.53Å; W568-W585 PolarHBondContact O-NE1 2.77Å; W568-W585 VanDerWaalsContact O-NE1 3.11Å; Y569-W585 HydrophobicContact CD2-CZ2 4.35Å; W585-N588 PolarHBondContact O-N 3Å; W585-L589 HydrophobicContact CZ3-CD2 3.89Å; W585-L589 PolarHBondContact O-N 2.98Å; W585-T613 HydrophobicContact CZ3-CG2 3.85Å; W585-A614 HydrophobicContact CH2-CB 3.92Å; W585-A614 HydrophobicContact CZ2-CB 4.37Å; W585-V630 HydrophobicContact CB-CG1 4.47Å; W585-V630 HydrophobicContact CE3-CG1 3.88Å; W585-E637 VanDerWaalsContact CD1-OE1 3.23Å; W585-E637 PolarHBondContact N-OE1 3.43Å |
| 586 | L | 87.2 | Confident | 77.4 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.6 | -28.7 | -178.3 | -173.3 | 59 | 0 | 0 | 0 | 112.9 | Y569 G584 G590 Y597 K610 | Y569-L586 HydrophobicContact CE2-CD1 4.4Å; Y569-L586 HydrophobicContact CE2-CD2 4.33Å; G584-L586 PolarHBondContact O-N 3.37Å; G584-L586 VanDerWaalsContact O-N 3.07Å; L586-G590 PolarHBondContact O-N 3.21Å; L586-Y597 WeakPolarHBondContact CD2-OH 3.47Å; L586-Y597 HydrophobicContact CG-CE2 4.13Å; L586-Y597 WeakPolarHBondContact CG-OH 3.35Å; L586-K610 HydrophobicContact CD1-CG 4.03Å |
| 587 | H | 85.4 | Confident | 77.6 | Confident | 32 Ų | 32 | 67 Ų | 67 | 15% | 0.148 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.4 | -47.8 | 173.4 | -71.8 | 102.7 | 0 | 0 | 0 | 111 | R582 G584 L589 G590 D591 Y597 | R582-H587 HydrophobicContact CB-CB 4.24Å; G584-H587 PolarHBondContact O-N 3.29Å; H587-L589 PolarHBondContact O-N 3.45Å; H587-G590 WeakPolarHBondContact O-CA 3.27Å; H587-G590 PolarHBondContact O-N 3.32Å; H587-D591 PolarHBondContact O-N 3.22Å; H587-Y597 AromaticContact CD2-CD2 3.81Å |
| 588 | N | 86.8 | Confident | 78 | Confident | 49 Ų | 49 | 67 Ų | 67 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -53 | -42.2 | 173.4 | -177.3 | 7.8 | 0 | 0 | 0 | 111.4 | G584 W585 G590 D591 Q592 | G584-N588 PolarHBondContact O-N 2.97Å; W585-N588 PolarHBondContact O-N 3Å; N588-G590 PolarHBondContact O-N 3.41Å; N588-D591 PolarHBondContact O-N 3.06Å; N588-Q592 WeakPolarHBondContact O-CB 3.3Å; N588-Q592 WeakPolarHBondContact O-CG 3.19Å; N588-Q592 PolarHBondContact O-N 3.32Å; N588-Q592 PolarHBondContact OD1-NE2 3.29Å |
| 589 | L | 88.6 | Confident | 78 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 173.3 | -178.3 | 61.4 | 0 | 0 | 0 | 113.4 | W585 H587 D591 Q592 I593 P605 T613 | W585-L589 HydrophobicContact CZ3-CD2 3.89Å; W585-L589 PolarHBondContact O-N 2.98Å; H587-L589 PolarHBondContact O-N 3.45Å; L589-D591 VanDerWaalsContact C-N 3.32Å; L589-D591 PolarHBondContact O-N 2.66Å; L589-Q592 PolarHBondContact O-N 3.09Å; L589-I593 HydrophobicContact CD1-CD1 3.46Å; L589-I593 VanDerWaalsContact CD1-CD1 3.46Å; L589-I593 HydrophobicContact CD1-CG1 3.95Å; L589-I593 HydrophobicContact CG-CD1 3.91Å; L589-I593 WeakPolarHBondContact O-CB 3.35Å; L589-I593 WeakPolarHBondContact O-CG1 3.43Å; L589-I593 PolarHBondContact O-N 2.88Å; L589-P605 HydrophobicContact CD2-CG 4.24Å; L589-P605 HydrophobicContact CG-CG 4.37Å; L589-T613 HydrophobicContact CD1-CG2 3.71Å; L589-T613 HydrophobicContact CD2-CG2 3.84Å; L589-T613 HydrophobicContact CG-CG2 4.33Å |
| 590 | G | 85.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L586 H587 N588 G594 K595 | L586-G590 PolarHBondContact O-N 3.21Å; H587-G590 WeakPolarHBondContact O-CA 3.27Å; H587-G590 PolarHBondContact O-N 3.32Å; N588-G590 PolarHBondContact O-N 3.41Å; G590-G594 PolarHBondContact O-N 2.04Å; G590-G594 VanDerWaalsContact O-N 3.14Å; G590-K595 WeakPolarHBondContact CA-O 3.35Å; G590-K595 CarbonylContact O-C 3.21Å; G590-K595 PolarHBondContact O-N 3.36Å |
| 591 | D | 86.1 | Confident | 78.4 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.7 | -44.6 | 177.9 | -65.1 | -25.8 | 0 | 0 | 0 | 111.7 | H587 N588 L589 I593 G594 | H587-D591 PolarHBondContact O-N 3.22Å; N588-D591 PolarHBondContact O-N 3.06Å; L589-D591 VanDerWaalsContact C-N 3.32Å; L589-D591 PolarHBondContact O-N 2.66Å; D591-I593 VanDerWaalsContact C-N 3.31Å; D591-I593 PolarHBondContact O-N 3.44Å; D591-G594 PolarHBondContact O-N 2.91Å; D591-G594 VanDerWaalsContact O-N 3.12Å |
| 592 | Q | 86.3 | Confident | 78.5 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.5 | -35 | 176.1 | -74.1 | -177.7 | 38 | 0 | 0 | 113.7 | N588 L589 N629 | N588-Q592 WeakPolarHBondContact O-CB 3.3Å; N588-Q592 WeakPolarHBondContact O-CG 3.19Å; N588-Q592 PolarHBondContact O-N 3.32Å; N588-Q592 PolarHBondContact OD1-NE2 3.29Å; L589-Q592 PolarHBondContact O-N 3.09Å; Q592-N629 PolarHBondContact NE2-O 3.05Å; Q592-N629 PolarHBondContact OE1-O 3.4Å |
| 593 | I | 86.9 | Confident | 78.5 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 34% | 0.344 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -86 | -9.2 | 179.1 | -68.7 | -178.6 | 0 | 0 | 0 | 112 | L589 D591 K595 P605 D609 | L589-I593 HydrophobicContact CD1-CD1 3.46Å; L589-I593 VanDerWaalsContact CD1-CD1 3.46Å; L589-I593 HydrophobicContact CD1-CG1 3.95Å; L589-I593 HydrophobicContact CG-CD1 3.91Å; L589-I593 WeakPolarHBondContact O-CB 3.35Å; L589-I593 WeakPolarHBondContact O-CG1 3.43Å; L589-I593 PolarHBondContact O-N 2.88Å; D591-I593 VanDerWaalsContact C-N 3.31Å; D591-I593 PolarHBondContact O-N 3.44Å; I593-K595 VanDerWaalsContact C-N 3.3Å; I593-K595 HydrophobicContact CG2-CB 4.32Å; I593-K595 HydrophobicContact CG2-CD 3.69Å; I593-K595 HydrophobicContact CG2-CG 3.91Å; I593-P605 HydrophobicContact CD1-CB 4.48Å; I593-D609 HydrophobicContact CD1-CB 3.98Å |
| 594 | G | 83.1 | Confident | 78.6 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 62% | 0.619 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 25 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G590 D591 P596 | G590-G594 PolarHBondContact O-N 2.04Å; G590-G594 VanDerWaalsContact O-N 3.14Å; D591-G594 PolarHBondContact O-N 2.91Å; D591-G594 VanDerWaalsContact O-N 3.12Å; G594-P596 VanDerWaalsContact C-CD 3.41Å |
| 595 | K | 85.4 | Confident | 78.6 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | trans | -123.9 | 66.2 | 175.1 | -62.9 | 174.9 | -165.2 | 175.7 | 0 | 109.5 | G590 I593 G604 D609 | G590-K595 WeakPolarHBondContact CA-O 3.35Å; G590-K595 CarbonylContact O-C 3.21Å; G590-K595 PolarHBondContact O-N 3.36Å; I593-K595 VanDerWaalsContact C-N 3.3Å; I593-K595 HydrophobicContact CG2-CB 4.32Å; I593-K595 HydrophobicContact CG2-CD 3.69Å; I593-K595 HydrophobicContact CG2-CG 3.91Å; K595-G604 CarbonylContact O-C 3.53Å; K595-G604 VanDerWaalsContact O-CA 3.26Å; K595-G604 WeakPolarHBondContact O-CA 3.4Å; K595-D609 IonicContact NZ-OD2 3.62Å; K595-D609 PolarHBondContact NZ-OD2 2.9Å | ||
| 596 | P | 80.1 | Confident | 78.5 | Confident | 66 Ų | 66 | 55.8 Ų | 55.8 | 43% | 0.429 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 158.8 | -179.8 | 28.5 | -36.3 | 0 | 0 | 0 | 112 | G594 G604 | G594-P596 VanDerWaalsContact C-CD 3.41Å; P596-G604 PolarHBondContact O-N 3.19Å |
| 597 | Y | 75.3 | Confident | 78.4 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 137.7 | 167.8 | -70.2 | -89.7 | 0 | 0 | 0 | 110.3 | Q576 L586 H587 G603 K610 | Q576-Y597 VanDerWaalsContact NE2-CE1 3.33Å; L586-Y597 WeakPolarHBondContact CD2-OH 3.47Å; L586-Y597 HydrophobicContact CG-CE2 4.13Å; L586-Y597 WeakPolarHBondContact CG-OH 3.35Å; H587-Y597 AromaticContact CD2-CD2 3.81Å; Y597-G603 WeakPolarHBondContact CD1-O 3.45Å; Y597-G603 WeakPolarHBondContact CE1-O 3.46Å; Y597-K610 WeakPolarHBondContact OH-CE 3.26Å; Y597-K610 PolarHBondContact OH-NZ 3.47Å |
| 598 | N | 73.1 | Confident | 78.5 | Confident | 99 Ų | 99 | 63.5 Ų | 63.5 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 160.3 | 177 | -158.2 | 2.2 | 0 | 0 | 0 | 110.8 | S600 G601 L602 | N598-S600 PolarHBondContact O-N 3.32Å; N598-G601 PolarHBondContact O-N 3.08Å; N598-L602 WeakPolarHBondContact CB-O 3.49Å |
| 599 | S | 60.2 | Low | 78.7 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 78% | 0.776 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -9.2 | -174.7 | -52.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 600 | S | 60.1 | Low | 78.8 | Confident | 81 Ų | 81 | 64 Ų | 64 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 11.8 | 173.8 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | N598 L602 | N598-S600 PolarHBondContact O-N 3.32Å; S600-L602 WeakPolarHBondContact O-CD1 3.44Å; S600-L602 PolarHBondContact O-N 3.14Å; S600-L602 VanDerWaalsContact O-N 3.1Å |
| 601 | G | 61.3 | Low | 79.2 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 81.1 | -32.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N598 G603 | N598-G601 PolarHBondContact O-N 3.08Å; G601-G603 PolarHBondContact O-N 3.37Å |
| 602 | L | 59.8 | Low | 79.6 | Confident | 131 Ų | 131 | 66.3 Ų | 66.3 | 69% | 0.686 | 40% | 0.399 | S | S | * | . | trans | -64.8 | 101.8 | 179 | -76.6 | 83.2 | 0 | 0 | 0 | 111.8 | N598 S600 | N598-L602 WeakPolarHBondContact CB-O 3.49Å; S600-L602 WeakPolarHBondContact O-CD1 3.44Å; S600-L602 PolarHBondContact O-N 3.14Å; S600-L602 VanDerWaalsContact O-N 3.1Å | ||
| 603 | G | 66.4 | Low | 79.9 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 50% | 0.495 | 38% | 0.381 | S | S | . | . | trans | 160.7 | -164.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y597 G601 | Y597-G603 WeakPolarHBondContact CD1-O 3.45Å; Y597-G603 WeakPolarHBondContact CE1-O 3.46Å; G601-G603 PolarHBondContact O-N 3.37Å | ||
| 604 | G | 78.6 | Confident | 80.3 | Confident | 21 Ų | 21 | 59 Ų | 59 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | trans | 106 | 177.7 | 172 | 0 | 0 | 0 | 0 | 0 | 116.9 | K595 P596 | K595-G604 CarbonylContact O-C 3.53Å; K595-G604 VanDerWaalsContact O-CA 3.26Å; K595-G604 WeakPolarHBondContact O-CA 3.4Å; P596-G604 PolarHBondContact O-N 3.19Å | ||
| 605 | P | 85.2 | Confident | 80.9 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | trans | -70.2 | 155.7 | 177.5 | 26.7 | -32.2 | 0 | 0 | 0 | 113 | L589 I593 D609 K610 | L589-P605 HydrophobicContact CD2-CG 4.24Å; L589-P605 HydrophobicContact CG-CG 4.37Å; I593-P605 HydrophobicContact CD1-CB 4.48Å; P605-D609 HydrophobicContact CB-CB 4.07Å; P605-K610 HydrophobicContact CB-CG 4.4Å; P605-K610 HydrophobicContact CG-CG 4Å; P605-K610 WeakPolarHBondContact O-CD 3.43Å; P605-K610 WeakPolarHBondContact O-CE 3.15Å; P605-K610 PolarHBondContact O-NZ 3.24Å | ||
| 606 | S | 87.1 | Confident | 81.4 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | trans | -71.5 | 159.7 | -177.5 | 74.5 | 0 | 0 | 0 | 0 | 112.1 | K608 D609 K610 | S606-K608 PolarHBondContact O-N 3.04Å; S606-D609 WeakPolarHBondContact CB-OD2 3.31Å; S606-D609 PolarHBondContact N-OD2 3.17Å; S606-D609 WeakPolarHBondContact O-CB 3.48Å; S606-D609 PolarHBondContact O-N 3.33Å; S606-D609 PolarHBondContact OG-N 3.43Å; S606-D609 PolarHBondContact OG-OD1 3.25Å; S606-D609 PolarHBondContact OG-OD2 3.44Å; S606-K610 WeakPolarHBondContact O-CB 3.38Å; S606-K610 WeakPolarHBondContact O-CG 3.22Å; S606-K610 PolarHBondContact O-N 3.11Å | ||
| 607 | I | 85.2 | Confident | 82.1 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 20% | 0.2 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.7 | -36.8 | 177.2 | -67.5 | 173.1 | 0 | 0 | 0 | 111.6 | F431 E435 K610 Y611 | F431-I607 HydrophobicContact CB-CG2 4.31Å; F431-I607 HydrophobicContact CD1-CG2 4.11Å; E435-I607 HydrophobicContact CG-CD1 4.01Å; E435-I607 WeakPolarHBondContact OE1-CD1 3.48Å; I607-K610 PolarHBondContact O-N 2.7Å; I607-Y611 VanDerWaalsContact O-CB 3.3Å; I607-Y611 WeakPolarHBondContact O-CB 3.28Å; I607-Y611 PolarHBondContact O-N 2.99Å |
| 608 | K | 88.6 | Confident | 83 | Confident | 158 Ų | 158 | 54.4 Ų | 54.4 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.6 | -47.3 | 173.8 | -174.6 | -177.6 | 177.4 | -174.8 | 0 | 111.8 | S606 V612 | S606-K608 PolarHBondContact O-N 3.04Å; K608-V612 HydrophobicContact CG-CG2 4.43Å; K608-V612 WeakPolarHBondContact O-CB 3.47Å; K608-V612 VanDerWaalsContact O-CG2 3.26Å; K608-V612 WeakPolarHBondContact O-CG2 3.37Å; K608-V612 PolarHBondContact O-N 3.3Å |
| 609 | D | 90.5 | Very high | 84 | Confident | 40 Ų | 40 | 52.5 Ų | 52.5 | 21% | 0.214 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 178.8 | -52.3 | -35.9 | 0 | 0 | 0 | 110.4 | I593 K595 P605 S606 T613 | I593-D609 HydrophobicContact CD1-CB 3.98Å; K595-D609 IonicContact NZ-OD2 3.62Å; K595-D609 PolarHBondContact NZ-OD2 2.9Å; P605-D609 HydrophobicContact CB-CB 4.07Å; S606-D609 WeakPolarHBondContact CB-OD2 3.31Å; S606-D609 PolarHBondContact N-OD2 3.17Å; S606-D609 WeakPolarHBondContact O-CB 3.48Å; S606-D609 PolarHBondContact O-N 3.33Å; S606-D609 PolarHBondContact OG-N 3.43Å; S606-D609 PolarHBondContact OG-OD1 3.25Å; S606-D609 PolarHBondContact OG-OD2 3.44Å; D609-T613 VanDerWaalsContact O-CB 3.3Å; D609-T613 WeakPolarHBondContact O-CB 3.42Å; D609-T613 PolarHBondContact O-N 3.46Å; D609-T613 PolarHBondContact O-OG1 3.05Å |
| 610 | K | 90.2 | Very high | 85.7 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -52.3 | 177 | -71.6 | 165.1 | 164.9 | 172.3 | 0 | 112.1 | F431 Y569 L586 Y597 P605 S606 I607 A614 | F431-K610 HydrophobicContact CE1-CB 4.37Å; Y569-K610 HydrophobicContact CD2-CB 4.28Å; Y569-K610 HydrophobicContact CE2-CB 3.97Å; Y569-K610 HydrophobicContact CE2-CD 3.77Å; Y569-K610 HydrophobicContact CE2-CG 4.09Å; L586-K610 HydrophobicContact CD1-CG 4.03Å; Y597-K610 WeakPolarHBondContact OH-CE 3.26Å; Y597-K610 PolarHBondContact OH-NZ 3.47Å; P605-K610 HydrophobicContact CB-CG 4.4Å; P605-K610 HydrophobicContact CG-CG 4Å; P605-K610 WeakPolarHBondContact O-CD 3.43Å; P605-K610 WeakPolarHBondContact O-CE 3.15Å; P605-K610 PolarHBondContact O-NZ 3.24Å; S606-K610 WeakPolarHBondContact O-CB 3.38Å; S606-K610 WeakPolarHBondContact O-CG 3.22Å; S606-K610 PolarHBondContact O-N 3.11Å; I607-K610 PolarHBondContact O-N 2.7Å; K610-A614 WeakPolarHBondContact O-CB 3.3Å; K610-A614 PolarHBondContact O-N 3.3Å |
| 611 | Y | 93.5 | Very high | 87.3 | Confident | 56 Ų | 56 | 44.7 Ų | 44.7 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.2 | -47.2 | -179 | 172.5 | -102.4 | 0 | 0 | 0 | 112.5 | Y427 F431 H562 I607 T613 A614 L615 | Y427-Y611 AromaticContact CD2-CD2 3.93Å; Y427-Y611 HydrophobicContact CD2-CD2 3.93Å; Y427-Y611 HydrophobicContact CD2-CE2 4.05Å; Y427-Y611 AromaticContact CE2-CD2 3.99Å; Y427-Y611 HydrophobicContact CE2-CD2 3.99Å; Y427-Y611 HydrophobicContact CE2-CE2 4.44Å; Y427-Y611 HydrophobicContact CE2-CG 4.19Å; F431-Y611 AromaticContact CE2-CD2 3.81Å; F431-Y611 HydrophobicContact CE2-CD2 3.81Å; F431-Y611 AromaticContact CZ-CD2 3.82Å; F431-Y611 HydrophobicContact CZ-CD2 3.82Å; F431-Y611 HydrophobicContact CZ-CG 4.43Å; H562-Y611 AromaticContact CE1-CE2 3.2Å; H562-Y611 WeakPolarHBondContact CE1-CE2 3.35Å; H562-Y611 AromaticContact CE1-CZ 3.79Å; H562-Y611 AromaticContact ND1-CE2 3.56Å; H562-Y611 AromaticContact ND1-CZ 3.87Å; H562-Y611 PolarHBondContact ND1-OH 3.49Å; I607-Y611 VanDerWaalsContact O-CB 3.3Å; I607-Y611 WeakPolarHBondContact O-CB 3.28Å; I607-Y611 PolarHBondContact O-N 2.99Å; Y611-T613 VanDerWaalsContact C-N 3.32Å; Y611-T613 PolarHBondContact O-N 2.92Å; Y611-A614 PolarHBondContact O-N 3.01Å; Y611-L615 HydrophobicContact CE1-CD1 4.16Å; Y611-L615 HydrophobicContact CE2-CD1 4.37Å; Y611-L615 WeakPolarHBondContact O-CB 3.34Å; Y611-L615 PolarHBondContact O-N 3.36Å; Y611-L615 WeakPolarHBondContact OH-CD1 3.36Å |
| 612 | V | 94.4 | Very high | 88.8 | Confident | 80 Ų | 80 | 42.6 Ų | 42.6 | 49% | 0.485 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 179.8 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | K608 Y616 | K608-V612 HydrophobicContact CG-CG2 4.43Å; K608-V612 WeakPolarHBondContact O-CB 3.47Å; K608-V612 VanDerWaalsContact O-CG2 3.26Å; K608-V612 WeakPolarHBondContact O-CG2 3.37Å; K608-V612 PolarHBondContact O-N 3.3Å; V612-Y616 VanDerWaalsContact O-CB 3.25Å; V612-Y616 WeakPolarHBondContact O-CB 3.4Å; V612-Y616 PolarHBondContact O-N 3.26Å |
| 613 | T | 93.8 | Very high | 90.3 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 13% | 0.129 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.2 | -42.4 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | W585 L589 D609 Y611 L615 Y616 F617 V630 | W585-T613 HydrophobicContact CZ3-CG2 3.85Å; L589-T613 HydrophobicContact CD1-CG2 3.71Å; L589-T613 HydrophobicContact CD2-CG2 3.84Å; L589-T613 HydrophobicContact CG-CG2 4.33Å; D609-T613 VanDerWaalsContact O-CB 3.3Å; D609-T613 WeakPolarHBondContact O-CB 3.42Å; D609-T613 PolarHBondContact O-N 3.46Å; D609-T613 PolarHBondContact O-OG1 3.05Å; Y611-T613 VanDerWaalsContact C-N 3.32Å; Y611-T613 PolarHBondContact O-N 2.92Å; T613-L615 VanDerWaalsContact C-N 3.33Å; T613-L615 PolarHBondContact O-N 2.9Å; T613-Y616 PolarHBondContact O-N 2.99Å; T613-F617 PolarHBondContact O-N 3.35Å; T613-V630 HydrophobicContact CG2-CG2 3.42Å; T613-V630 VanDerWaalsContact CG2-CG2 3.42Å |
| 614 | A | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A565 W585 K610 Y611 F617 T618 | A565-A614 HydrophobicContact CB-CB 4.11Å; W585-A614 HydrophobicContact CH2-CB 3.92Å; W585-A614 HydrophobicContact CZ2-CB 4.37Å; K610-A614 WeakPolarHBondContact O-CB 3.3Å; K610-A614 PolarHBondContact O-N 3.3Å; Y611-A614 PolarHBondContact O-N 3.01Å; A614-F617 PolarHBondContact O-N 3.02Å; A614-T618 PolarHBondContact O-N 3.01Å; A614-T618 VanDerWaalsContact O-N 3.09Å; A614-T618 PolarHBondContact O-OG1 2.69Å |
| 615 | L | 95.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.5 | -39.4 | 177.2 | -175.6 | 147.9 | 0 | 0 | 0 | 111.9 | A565 Y611 T613 T618 F619 | A565-L615 HydrophobicContact CB-CB 4.07Å; Y611-L615 HydrophobicContact CE1-CD1 4.16Å; Y611-L615 HydrophobicContact CE2-CD1 4.37Å; Y611-L615 WeakPolarHBondContact O-CB 3.34Å; Y611-L615 PolarHBondContact O-N 3.36Å; Y611-L615 WeakPolarHBondContact OH-CD1 3.36Å; T613-L615 VanDerWaalsContact C-N 3.33Å; T613-L615 PolarHBondContact O-N 2.9Å; L615-T618 PolarHBondContact O-N 3.17Å; L615-T618 PolarHBondContact O-OG1 3.4Å; L615-F619 HydrophobicContact CD1-CE2 4.34Å; L615-F619 HydrophobicContact CD2-CD2 3.51Å; L615-F619 HydrophobicContact CD2-CE2 3.68Å; L615-F619 HydrophobicContact CG-CD2 3.78Å; L615-F619 HydrophobicContact CG-CE2 3.87Å; L615-F619 WeakPolarHBondContact O-CB 3.44Å; L615-F619 WeakPolarHBondContact O-CD2 3.1Å; L615-F619 PolarHBondContact O-N 2.89Å |
| 616 | Y | 95.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 45.7 Ų | 45.7 | 30% | 0.302 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 172.7 | 165.4 | -102.6 | 0 | 0 | 0 | 112.1 | V612 T613 S620 F627 N629 V630 | V612-Y616 VanDerWaalsContact O-CB 3.25Å; V612-Y616 WeakPolarHBondContact O-CB 3.4Å; V612-Y616 PolarHBondContact O-N 3.26Å; T613-Y616 PolarHBondContact O-N 2.99Å; Y616-S620 WeakPolarHBondContact O-CB 3.3Å; Y616-S620 PolarHBondContact O-N 3.34Å; Y616-S620 PolarHBondContact O-OG 3.3Å; Y616-F627 AromaticContact CE2-CD2 3.66Å; Y616-F627 HydrophobicContact CE2-CD2 3.66Å; Y616-F627 AromaticContact CE2-CE2 3.92Å; Y616-F627 HydrophobicContact CE2-CE2 3.92Å; Y616-F627 AromaticContact CZ-CD2 3.65Å; Y616-F627 WeakPolarHBondContact OH-CB 3.04Å; Y616-F627 VanDerWaalsContact OH-CD2 3.24Å; Y616-F627 WeakPolarHBondContact OH-CD2 3.47Å; Y616-F627 VanDerWaalsContact OH-CG 3.32Å; Y616-F627 WeakPolarHBondContact OH-CG 3.11Å; Y616-N629 HydrophobicContact CE1-CB 4.31Å; Y616-N629 PolarHBondContact OH-ND2 3.16Å; Y616-V630 HydrophobicContact CD1-CG2 4.44Å |
| 617 | F | 95 | Very high | 92.6 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58 | -54.3 | 175.8 | 171.8 | -108.3 | 0 | 0 | 0 | 111.1 | W568 T613 A614 F619 S620 S621 V630 | W568-F617 AromaticContact CD1-CD1 3.86Å; W568-F617 AromaticContact CD2-CD1 3.62Å; W568-F617 HydrophobicContact CD2-CD1 3.62Å; W568-F617 AromaticContact CD2-CE1 3.57Å; W568-F617 HydrophobicContact CD2-CE1 3.57Å; W568-F617 AromaticContact CE2-CD1 3.39Å; W568-F617 AromaticContact CE2-CE1 3.52Å; W568-F617 HydrophobicContact CE3-CD1 4.24Å; W568-F617 AromaticContact CE3-CE1 3.69Å; W568-F617 HydrophobicContact CE3-CE1 3.69Å; W568-F617 AromaticContact CG-CD1 3.9Å; W568-F617 HydrophobicContact CG-CD1 3.9Å; W568-F617 HydrophobicContact CG-CE1 4.25Å; W568-F617 HydrophobicContact CH2-CD1 4.37Å; W568-F617 AromaticContact CH2-CE1 3.7Å; W568-F617 HydrophobicContact CH2-CE1 3.7Å; W568-F617 AromaticContact CH2-CZ 3.79Å; W568-F617 HydrophobicContact CH2-CZ 3.79Å; W568-F617 AromaticContact CZ2-CD1 3.81Å; W568-F617 HydrophobicContact CZ2-CD1 3.81Å; W568-F617 AromaticContact CZ2-CE1 3.62Å; W568-F617 HydrophobicContact CZ2-CE1 3.62Å; W568-F617 HydrophobicContact CZ2-CE2 4.34Å; W568-F617 HydrophobicContact CZ2-CG 4.26Å; W568-F617 AromaticContact CZ2-CZ 3.9Å; W568-F617 HydrophobicContact CZ2-CZ 3.9Å; W568-F617 AromaticContact CZ3-CE1 3.74Å; W568-F617 HydrophobicContact CZ3-CE1 3.74Å; W568-F617 HydrophobicContact CZ3-CZ 4.11Å; W568-F617 AromaticContact NE1-CD1 3.55Å; W568-F617 AromaticContact NE1-CG 3.98Å; T613-F617 PolarHBondContact O-N 3.35Å; A614-F617 PolarHBondContact O-N 3.02Å; F617-F619 PolarHBondContact O-N 2.7Å; F617-S620 PolarHBondContact O-N 2.75Å; F617-S620 VanDerWaalsContact O-N 3.14Å; F617-S620 PolarHBondContact O-OG 2.9Å; F617-S621 PolarHBondContact O-N 2.86Å; F617-V630 HydrophobicContact CB-CB 4.23Å; F617-V630 HydrophobicContact CB-CG1 4.04Å; F617-V630 HydrophobicContact CD2-CB 4.09Å; F617-V630 HydrophobicContact CD2-CG1 3.96Å; F617-V630 WeakPolarHBondContact CD2-O 3.44Å; F617-V630 HydrophobicContact CG-CB 4.48Å; F617-V630 HydrophobicContact CG-CG1 4.09Å |
| 618 | T | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | -176.2 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | A561 L564 A565 W568 A614 L615 S621 L622 | A561-T618 PolarHBondContact O-OG1 2.72Å; L564-T618 HydrophobicContact CB-CG2 3.92Å; A565-T618 HydrophobicContact CB-CG2 4.37Å; W568-T618 HydrophobicContact CB-CG2 4.45Å; A614-T618 PolarHBondContact O-N 3.01Å; A614-T618 VanDerWaalsContact O-N 3.09Å; A614-T618 PolarHBondContact O-OG1 2.69Å; L615-T618 PolarHBondContact O-N 3.17Å; L615-T618 PolarHBondContact O-OG1 3.4Å; T618-S621 PolarHBondContact O-N 3.15Å; T618-L622 VanDerWaalsContact O-CB 3.27Å; T618-L622 WeakPolarHBondContact O-CB 3.36Å; T618-L622 WeakPolarHBondContact O-CD1 3.02Å; T618-L622 WeakPolarHBondContact O-CG 3.44Å; T618-L622 PolarHBondContact O-N 2.99Å |
| 619 | F | 94.3 | Very high | 92.5 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 26% | 0.263 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 169.9 | -93.5 | -83.1 | 0 | 0 | 0 | 111.3 | F557 A558 A561 L615 F617 S621 L622 T623 | F557-F619 HydrophobicContact CD1-CE1 4.1Å; F557-F619 AromaticContact CE1-CD1 3.94Å; F557-F619 HydrophobicContact CE1-CD1 3.94Å; F557-F619 AromaticContact CE1-CE1 3.63Å; F557-F619 HydrophobicContact CE1-CE1 3.63Å; F557-F619 HydrophobicContact CZ-CD1 4.33Å; F557-F619 HydrophobicContact CZ-CE1 4.38Å; A558-F619 HydrophobicContact CB-CZ 4.32Å; A561-F619 HydrophobicContact CB-CD1 4.34Å; A561-F619 HydrophobicContact CB-CD2 3.71Å; A561-F619 HydrophobicContact CB-CE1 4.15Å; A561-F619 HydrophobicContact CB-CE2 3.48Å; A561-F619 VanDerWaalsContact CB-CE2 3.48Å; A561-F619 HydrophobicContact CB-CG 4.15Å; A561-F619 HydrophobicContact CB-CZ 3.72Å; L615-F619 HydrophobicContact CD1-CE2 4.34Å; L615-F619 HydrophobicContact CD2-CD2 3.51Å; L615-F619 HydrophobicContact CD2-CE2 3.68Å; L615-F619 HydrophobicContact CG-CD2 3.78Å; L615-F619 HydrophobicContact CG-CE2 3.87Å; L615-F619 WeakPolarHBondContact O-CB 3.44Å; L615-F619 WeakPolarHBondContact O-CD2 3.1Å; L615-F619 PolarHBondContact O-N 2.89Å; F617-F619 PolarHBondContact O-N 2.7Å; F619-S621 VanDerWaalsContact C-N 3.27Å; F619-S621 PolarHBondContact O-N 2.69Å; F619-L622 PolarHBondContact O-N 2.87Å; F619-T623 WeakPolarHBondContact O-CG2 3.47Å; F619-T623 PolarHBondContact O-N 2.78Å; F619-T623 PolarHBondContact O-OG1 3.49Å |
| 620 | S | 94.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -30.3 | -178 | 77.5 | 0 | 0 | 0 | 0 | 113.8 | Y616 F617 V625 G626 | Y616-S620 WeakPolarHBondContact O-CB 3.3Å; Y616-S620 PolarHBondContact O-N 3.34Å; Y616-S620 PolarHBondContact O-OG 3.3Å; F617-S620 PolarHBondContact O-N 2.75Å; F617-S620 VanDerWaalsContact O-N 3.14Å; F617-S620 PolarHBondContact O-OG 2.9Å; S620-V625 PolarHBondContact O-N 3.1Å; S620-G626 PolarHBondContact O-N 2.98Å |
| 621 | S | 94.2 | Very high | 92.4 | Very high | 16 Ų | 16 | 46 Ų | 46 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -78.1 | -46.2 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | F617 T618 F619 T623 S624 V644 | F617-S621 PolarHBondContact O-N 2.86Å; T618-S621 PolarHBondContact O-N 3.15Å; F619-S621 VanDerWaalsContact C-N 3.27Å; F619-S621 PolarHBondContact O-N 2.69Å; S621-T623 VanDerWaalsContact C-N 3.32Å; S621-T623 PolarHBondContact O-N 3.41Å; S621-S624 PolarHBondContact O-N 3.26Å; S621-V644 WeakPolarHBondContact OG-CG1 3.37Å |
| 622 | L | 92.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 177.6 | -71 | 169.2 | 0 | 0 | 0 | 113.8 | F557 A561 L564 T618 F619 S624 V644 | F557-L622 HydrophobicContact CE2-CB 4.01Å; F557-L622 HydrophobicContact CZ-CB 4.23Å; A561-L622 VanDerWaalsContact CA-CD1 3.49Å; A561-L622 HydrophobicContact CB-CD1 3.55Å; L564-L622 HydrophobicContact CD1-CD1 4.11Å; L564-L622 HydrophobicContact CD1-CD2 4Å; L564-L622 HydrophobicContact CD1-CG 4.43Å; T618-L622 VanDerWaalsContact O-CB 3.27Å; T618-L622 WeakPolarHBondContact O-CB 3.36Å; T618-L622 WeakPolarHBondContact O-CD1 3.02Å; T618-L622 WeakPolarHBondContact O-CG 3.44Å; T618-L622 PolarHBondContact O-N 2.99Å; F619-L622 PolarHBondContact O-N 2.87Å; L622-S624 VanDerWaalsContact C-N 3.32Å; L622-V644 HydrophobicContact CD2-CG1 3.97Å; L622-V644 HydrophobicContact CG-CG1 3.99Å |
| 623 | T | 92.8 | Very high | 92 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 24% | 0.239 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 6.2 | 172.3 | 64.2 | 0 | 0 | 0 | 0 | 113.4 | F557 F619 S621 V625 | F557-T623 HydrophobicContact CE1-CG2 4.32Å; F557-T623 HydrophobicContact CZ-CG2 3.79Å; F619-T623 WeakPolarHBondContact O-CG2 3.47Å; F619-T623 PolarHBondContact O-N 2.78Å; F619-T623 PolarHBondContact O-OG1 3.49Å; S621-T623 VanDerWaalsContact C-N 3.32Å; S621-T623 PolarHBondContact O-N 3.41Å; T623-V625 PolarHBondContact O-N 3.38Å; T623-V625 WeakPolarHBondContact OG1-CG2 3.27Å |
| 624 | S | 91.6 | Very high | 91.8 | Very high | 100 Ų | 100 | 43.2 Ų | 43.2 | 70% | 0.699 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 27.7 | -177.8 | 62.3 | 0 | 0 | 0 | 0 | 115.6 | S621 L622 | S621-S624 PolarHBondContact O-N 3.26Å; L622-S624 VanDerWaalsContact C-N 3.32Å |
| 625 | V | 94.7 | Very high | 91.6 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | trans | -91.5 | -36.4 | -178.1 | 175.9 | 0 | 0 | 0 | 0 | 112.5 | S620 T623 F627 | S620-V625 PolarHBondContact O-N 3.1Å; T623-V625 PolarHBondContact O-N 3.38Å; T623-V625 WeakPolarHBondContact OG1-CG2 3.27Å; V625-F627 HydrophobicContact CB-CE2 4.46Å; V625-F627 HydrophobicContact CG1-CD1 3.94Å; V625-F627 HydrophobicContact CG1-CD2 3.97Å; V625-F627 HydrophobicContact CG1-CE1 3.6Å; V625-F627 HydrophobicContact CG1-CE2 3.63Å; V625-F627 HydrophobicContact CG1-CG 4.12Å; V625-F627 HydrophobicContact CG1-CZ 3.44Å; V625-F627 VanDerWaalsContact CG1-CZ 3.44Å; V625-F627 PolarHBondContact O-N 3.26Å | ||
| 626 | G | 89.4 | Confident | 91.4 | Very high | 55 Ų | 55 | 48.9 Ų | 48.9 | 57% | 0.567 | 30% | 0.295 | S | S | * | . | trans | 55.5 | 49.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | S620 G628 | S620-G626 PolarHBondContact O-N 2.98Å; G626-G628 PolarHBondContact O-N 3.04Å | ||
| 627 | F | 89.9 | Confident | 91.3 | Very high | 122 Ų | 122 | 45.3 Ų | 45.3 | 54% | 0.535 | 28% | 0.281 | S | S | . | . | trans | -56.8 | -17.5 | -173.3 | -68.6 | -69.6 | 0 | 0 | 0 | 116.8 | Y616 V625 N629 | Y616-F627 AromaticContact CE2-CD2 3.66Å; Y616-F627 HydrophobicContact CE2-CD2 3.66Å; Y616-F627 AromaticContact CE2-CE2 3.92Å; Y616-F627 HydrophobicContact CE2-CE2 3.92Å; Y616-F627 AromaticContact CZ-CD2 3.65Å; Y616-F627 WeakPolarHBondContact OH-CB 3.04Å; Y616-F627 VanDerWaalsContact OH-CD2 3.24Å; Y616-F627 WeakPolarHBondContact OH-CD2 3.47Å; Y616-F627 VanDerWaalsContact OH-CG 3.32Å; Y616-F627 WeakPolarHBondContact OH-CG 3.11Å; V625-F627 HydrophobicContact CB-CE2 4.46Å; V625-F627 HydrophobicContact CG1-CD1 3.94Å; V625-F627 HydrophobicContact CG1-CD2 3.97Å; V625-F627 HydrophobicContact CG1-CE1 3.6Å; V625-F627 HydrophobicContact CG1-CE2 3.63Å; V625-F627 HydrophobicContact CG1-CG 4.12Å; V625-F627 HydrophobicContact CG1-CZ 3.44Å; V625-F627 VanDerWaalsContact CG1-CZ 3.44Å; V625-F627 PolarHBondContact O-N 3.26Å; F627-N629 VanDerWaalsContact C-N 3.28Å; F627-N629 PolarHBondContact O-N 3.09Å; F627-N629 VanDerWaalsContact O-N 3.16Å | ||
| 628 | G | 84.8 | Confident | 91.2 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 52% | 0.515 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 80.5 | -19.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | G626 V630 | G626-G628 PolarHBondContact O-N 3.04Å; G628-V630 PolarHBondContact O-N 2.97Å; G628-V630 VanDerWaalsContact O-N 3.09Å |
| 629 | N | 85.4 | Confident | 91.2 | Very high | 93 Ų | 93 | 54.7 Ų | 54.7 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -54.2 | -31.5 | 177.4 | -63.8 | -6.5 | 0 | 0 | 0 | 113.5 | Q592 Y616 F627 | Q592-N629 PolarHBondContact NE2-O 3.05Å; Q592-N629 PolarHBondContact OE1-O 3.4Å; Y616-N629 HydrophobicContact CE1-CB 4.31Å; Y616-N629 PolarHBondContact OH-ND2 3.16Å; F627-N629 VanDerWaalsContact C-N 3.28Å; F627-N629 PolarHBondContact O-N 3.09Å; F627-N629 VanDerWaalsContact O-N 3.16Å |
| 630 | V | 89.3 | Confident | 91.3 | Very high | 16 Ų | 16 | 53 Ų | 53 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -124.9 | 124.2 | 171.6 | -175.8 | 0 | 0 | 0 | 0 | 106.5 | W568 W585 T613 Y616 F617 G628 | W568-V630 HydrophobicContact CZ2-CG1 4.21Å; W585-V630 HydrophobicContact CB-CG1 4.47Å; W585-V630 HydrophobicContact CE3-CG1 3.88Å; T613-V630 HydrophobicContact CG2-CG2 3.42Å; T613-V630 VanDerWaalsContact CG2-CG2 3.42Å; Y616-V630 HydrophobicContact CD1-CG2 4.44Å; F617-V630 HydrophobicContact CB-CB 4.23Å; F617-V630 HydrophobicContact CB-CG1 4.04Å; F617-V630 HydrophobicContact CD2-CB 4.09Å; F617-V630 HydrophobicContact CD2-CG1 3.96Å; F617-V630 WeakPolarHBondContact CD2-O 3.44Å; F617-V630 HydrophobicContact CG-CB 4.48Å; F617-V630 HydrophobicContact CG-CG1 4.09Å; G628-V630 PolarHBondContact O-N 2.97Å; G628-V630 VanDerWaalsContact O-N 3.09Å |
| 631 | S | 88.9 | Confident | 91.2 | Very high | 38 Ų | 38 | 53 Ų | 53 | 27% | 0.266 | 32% | 0.319 | S | S | . | . | trans | -133.4 | 149.2 | -174.5 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | N633 | S631-N633 PolarHBondContact O-N 3.33Å; S631-N633 PolarHBondContact OG-OD1 3.41Å; S631-N633 VanDerWaalsContact OG-OD1 3.13Å | ||
| 632 | P | 91.8 | Very high | 91.3 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 21% | 0.214 | 34% | 0.341 | C | S | . | . | trans | -76.2 | 117.1 | 170.8 | 32.1 | -35.3 | 0 | 0 | 0 | 111.3 | W568 E637 K638 | W568-P632 HydrophobicContact CH2-CB 4.06Å; P632-E637 VanDerWaalsContact CB-C 3.44Å; P632-E637 HydrophobicContact CB-CB 3.73Å; P632-E637 WeakPolarHBondContact CB-O 3.28Å; P632-K638 HydrophobicContact CB-CG 3.99Å; P632-K638 HydrophobicContact CG-CG 4.34Å; P632-K638 WeakPolarHBondContact O-CE 3.29Å | ||
| 633 | N | 89.1 | Confident | 91.4 | Very high | 57 Ų | 57 | 60.5 Ų | 60.5 | 31% | 0.305 | 36% | 0.361 | S | S | . | . | trans | -103.1 | -45.8 | -179.2 | -65.8 | -12.9 | 0 | 0 | 0 | 111.4 | I583 S631 E637 K638 | I583-N633 WeakPolarHBondContact O-CB 3.49Å; I583-N633 PolarHBondContact O-ND2 3.37Å; S631-N633 PolarHBondContact O-N 3.33Å; S631-N633 PolarHBondContact OG-OD1 3.41Å; S631-N633 VanDerWaalsContact OG-OD1 3.13Å; N633-E637 WeakPolarHBondContact CA-OE2 3.46Å; N633-E637 PolarHBondContact N-OE2 2.9Å; N633-K638 VanDerWaalsContact O-CE 3.26Å; N633-K638 WeakPolarHBondContact O-CE 3.41Å; N633-K638 PolarHBondContact O-NZ 3.03Å | ||
| 634 | T | 89.8 | Confident | 91.5 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.055 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -78.3 | 166.2 | -179.5 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | E575 I583 S636 E637 K638 | E575-T634 PolarHBondContact OE1-OG1 2.67Å; E575-T634 WeakPolarHBondContact OE2-CB 3.47Å; E575-T634 VanDerWaalsContact OE2-CG2 3.31Å; E575-T634 WeakPolarHBondContact OE2-CG2 3.26Å; E575-T634 PolarHBondContact OE2-OG1 3.36Å; I583-T634 HydrophobicContact CD1-CG2 4.31Å; I583-T634 HydrophobicContact CG1-CG2 4.24Å; T634-S636 PolarHBondContact OG1-OG 3.41Å; T634-E637 PolarHBondContact N-OE2 3.25Å; T634-E637 PolarHBondContact O-N 3.31Å; T634-E637 WeakPolarHBondContact OG1-CB 3.26Å; T634-E637 WeakPolarHBondContact OG1-CG 3.46Å; T634-E637 PolarHBondContact OG1-N 2.87Å; T634-K638 WeakPolarHBondContact O-CB 3.48Å; T634-K638 WeakPolarHBondContact O-CD 3.21Å; T634-K638 VanDerWaalsContact O-CG 3.27Å; T634-K638 WeakPolarHBondContact O-CG 3.42Å; T634-K638 PolarHBondContact O-N 2.92Å |
| 635 | N | 90.6 | Very high | 91.7 | Very high | 123 Ų | 123 | 59.1 Ų | 59.1 | 66% | 0.658 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -69.3 | -36 | -177.7 | -68.2 | -13 | 0 | 0 | 0 | 112 | K638 I639 | N635-K638 PolarHBondContact O-N 3.13Å; N635-I639 WeakPolarHBondContact O-CD1 3.22Å; N635-I639 VanDerWaalsContact O-CG1 3.26Å; N635-I639 WeakPolarHBondContact O-CG1 3.48Å; N635-I639 PolarHBondContact O-N 3.49Å |
| 636 | S | 90.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 61 Ų | 61 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.7 | -42.3 | 175.9 | 76 | 0 | 0 | 0 | 0 | 111.2 | I571 E575 T634 K638 I639 F640 | I571-S636 WeakPolarHBondContact CG2-OG 3.29Å; E575-S636 WeakPolarHBondContact OE1-CB 3.5Å; E575-S636 PolarHBondContact OE1-OG 3.02Å; E575-S636 PolarHBondContact OE2-OG 3.42Å; T634-S636 PolarHBondContact OG1-OG 3.41Å; S636-K638 VanDerWaalsContact C-N 3.31Å; S636-K638 PolarHBondContact O-N 3.45Å; S636-I639 PolarHBondContact O-N 3.11Å; S636-F640 WeakPolarHBondContact O-CB 3.21Å; S636-F640 PolarHBondContact O-N 3.42Å |
| 637 | E | 92.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.4 | -43.3 | 174.1 | -73.5 | 171.7 | 175.5 | 0 | 0 | 111.5 | W568 I571 G584 W585 P632 N633 T634 S641 | W568-E637 HydrophobicContact CH2-CB 3.79Å; W568-E637 HydrophobicContact CH2-CG 3.8Å; W568-E637 HydrophobicContact CZ3-CB 3.72Å; W568-E637 HydrophobicContact CZ3-CG 3.81Å; I571-E637 HydrophobicContact CG2-CG 4.39Å; G584-E637 WeakPolarHBondContact CA-OE1 3.21Å; W585-E637 VanDerWaalsContact CD1-OE1 3.23Å; W585-E637 PolarHBondContact N-OE1 3.43Å; P632-E637 VanDerWaalsContact CB-C 3.44Å; P632-E637 HydrophobicContact CB-CB 3.73Å; P632-E637 WeakPolarHBondContact CB-O 3.28Å; N633-E637 WeakPolarHBondContact CA-OE2 3.46Å; N633-E637 PolarHBondContact N-OE2 2.9Å; T634-E637 PolarHBondContact N-OE2 3.25Å; T634-E637 PolarHBondContact O-N 3.31Å; T634-E637 WeakPolarHBondContact OG1-CB 3.26Å; T634-E637 WeakPolarHBondContact OG1-CG 3.46Å; T634-E637 PolarHBondContact OG1-N 2.87Å; E637-S641 WeakPolarHBondContact O-CB 3.42Å; E637-S641 PolarHBondContact O-N 3.41Å |
| 638 | K | 93.7 | Very high | 92 | Very high | 96 Ų | 96 | 56 Ų | 56 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.3 | -48.2 | 178.1 | -76.7 | 165.4 | 175.6 | 155.3 | 0 | 112.4 | P632 N633 T634 N635 S636 F640 S641 I642 | P632-K638 HydrophobicContact CB-CG 3.99Å; P632-K638 HydrophobicContact CG-CG 4.34Å; P632-K638 WeakPolarHBondContact O-CE 3.29Å; N633-K638 VanDerWaalsContact O-CE 3.26Å; N633-K638 WeakPolarHBondContact O-CE 3.41Å; N633-K638 PolarHBondContact O-NZ 3.03Å; T634-K638 WeakPolarHBondContact O-CB 3.48Å; T634-K638 WeakPolarHBondContact O-CD 3.21Å; T634-K638 VanDerWaalsContact O-CG 3.27Å; T634-K638 WeakPolarHBondContact O-CG 3.42Å; T634-K638 PolarHBondContact O-N 2.92Å; N635-K638 PolarHBondContact O-N 3.13Å; S636-K638 VanDerWaalsContact C-N 3.31Å; S636-K638 PolarHBondContact O-N 3.45Å; K638-F640 VanDerWaalsContact C-N 3.31Å; K638-F640 PolarHBondContact O-N 3.06Å; K638-S641 PolarHBondContact O-N 2.82Å; K638-S641 VanDerWaalsContact O-N 3.17Å; K638-I642 WeakPolarHBondContact O-CG1 3.24Å; K638-I642 PolarHBondContact O-N 2.91Å |
| 639 | I | 95.3 | Very high | 92.4 | Very high | 110 Ų | 110 | 57.2 Ų | 57.2 | 56% | 0.564 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.1 | -45.5 | 176.4 | -69.4 | 164.7 | 0 | 0 | 0 | 110.1 | N635 S636 S641 I642 C643 | N635-I639 WeakPolarHBondContact O-CD1 3.22Å; N635-I639 VanDerWaalsContact O-CG1 3.26Å; N635-I639 WeakPolarHBondContact O-CG1 3.48Å; N635-I639 PolarHBondContact O-N 3.49Å; S636-I639 PolarHBondContact O-N 3.11Å; I639-S641 PolarHBondContact O-N 2.81Å; I639-I642 PolarHBondContact O-N 3.49Å; I639-C643 PolarHBondContact O-N 3.13Å; I639-C643 PolarHBondContact O-SG 2.6Å; I639-C643 VanDerWaalsContact O-SG 3.38Å |
| 640 | F | 95.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.2 | 178.2 | -96.5 | 0 | 0 | 0 | 111.9 | L564 I567 W568 I571 S636 K638 I642 C643 V644 | L564-F640 HydrophobicContact CB-CZ 4.08Å; L564-F640 HydrophobicContact CD2-CE2 3.9Å; L564-F640 HydrophobicContact CD2-CZ 3.87Å; L564-F640 WeakPolarHBondContact O-CZ 3.31Å; I567-F640 HydrophobicContact CB-CE2 4Å; I567-F640 HydrophobicContact CB-CZ 4.32Å; I567-F640 HydrophobicContact CG2-CD2 4.03Å; I567-F640 HydrophobicContact CG2-CE2 3.48Å; I567-F640 VanDerWaalsContact CG2-CE2 3.48Å; I567-F640 HydrophobicContact CG2-CZ 4.21Å; W568-F640 HydrophobicContact CB-CE1 3.89Å; W568-F640 HydrophobicContact CB-CZ 4.24Å; W568-F640 HydrophobicContact CD2-CD1 4.39Å; W568-F640 HydrophobicContact CD2-CE1 4.26Å; W568-F640 AromaticContact CE3-CD1 3.37Å; W568-F640 HydrophobicContact CE3-CD1 3.37Å; W568-F640 AromaticContact CE3-CE1 3.65Å; W568-F640 HydrophobicContact CE3-CE1 3.65Å; W568-F640 HydrophobicContact CE3-CG 4.34Å; W568-F640 HydrophobicContact CG-CE1 4.4Å; W568-F640 AromaticContact CZ3-CD1 3.87Å; W568-F640 HydrophobicContact CZ3-CD1 3.87Å; I571-F640 HydrophobicContact CD1-CB 3.89Å; I571-F640 HydrophobicContact CD1-CD1 4.42Å; I571-F640 HydrophobicContact CD1-CD2 3.73Å; I571-F640 HydrophobicContact CD1-CE2 4.38Å; I571-F640 HydrophobicContact CD1-CG 3.75Å; S636-F640 WeakPolarHBondContact O-CB 3.21Å; S636-F640 PolarHBondContact O-N 3.42Å; K638-F640 VanDerWaalsContact C-N 3.31Å; K638-F640 PolarHBondContact O-N 3.06Å; F640-I642 VanDerWaalsContact C-N 3.33Å; F640-I642 PolarHBondContact O-N 2.84Å; F640-C643 WeakPolarHBondContact O-CB 3.39Å; F640-C643 PolarHBondContact O-N 3.21Å; F640-C643 VanDerWaalsContact O-N 3.16Å; F640-V644 HydrophobicContact CD1-CG2 3.9Å; F640-V644 HydrophobicContact CE1-CG2 3.45Å; F640-V644 VanDerWaalsContact CE1-CG2 3.45Å; F640-V644 HydrophobicContact CE2-CG2 4.11Å; F640-V644 HydrophobicContact CG-CG2 4.43Å; F640-V644 HydrophobicContact CZ-CG2 3.57Å; F640-V644 WeakPolarHBondContact O-CG2 3.37Å; F640-V644 PolarHBondContact O-N 2.95Å |
| 641 | S | 94.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 177.5 | -168.3 | 0 | 0 | 0 | 0 | 112.6 | E637 K638 I639 V644 M645 | E637-S641 WeakPolarHBondContact O-CB 3.42Å; E637-S641 PolarHBondContact O-N 3.41Å; K638-S641 PolarHBondContact O-N 2.82Å; K638-S641 VanDerWaalsContact O-N 3.17Å; I639-S641 PolarHBondContact O-N 2.81Å; S641-V644 PolarHBondContact O-N 3.43Å; S641-M645 WeakPolarHBondContact O-CB 3.46Å; S641-M645 VanDerWaalsContact O-CG 3.26Å; S641-M645 WeakPolarHBondContact O-CG 3.19Å; S641-M645 PolarHBondContact O-N 2.79Å |
| 642 | I | 95.1 | Very high | 92.8 | Very high | 112 Ų | 112 | 62 Ų | 62 | 57% | 0.574 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.5 | -44.6 | 174.2 | -67.4 | 164.4 | 0 | 0 | 0 | 110.3 | K638 I639 F640 V644 M645 L646 | K638-I642 WeakPolarHBondContact O-CG1 3.24Å; K638-I642 PolarHBondContact O-N 2.91Å; I639-I642 PolarHBondContact O-N 3.49Å; F640-I642 VanDerWaalsContact C-N 3.33Å; F640-I642 PolarHBondContact O-N 2.84Å; I642-V644 PolarHBondContact O-N 3.48Å; I642-M645 PolarHBondContact O-N 3.29Å; I642-L646 PolarHBondContact O-N 3.47Å |
| 643 | C | 95.4 | Very high | 92.8 | Very high | 64 Ų | 64 | 63.5 Ų | 63.5 | 43% | 0.432 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.6 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | I639 F640 L646 I647 | I639-C643 PolarHBondContact O-N 3.13Å; I639-C643 PolarHBondContact O-SG 2.6Å; I639-C643 VanDerWaalsContact O-SG 3.38Å; F640-C643 WeakPolarHBondContact O-CB 3.39Å; F640-C643 PolarHBondContact O-N 3.21Å; F640-C643 VanDerWaalsContact O-N 3.16Å; C643-L646 PolarHBondContact O-N 3.38Å; C643-I647 WeakPolarHBondContact O-CB 3.09Å; C643-I647 VanDerWaalsContact O-CG1 3.28Å; C643-I647 WeakPolarHBondContact O-CG1 3.18Å; C643-I647 PolarHBondContact O-N 3.28Å |
| 644 | V | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 176.9 | 175 | 0 | 0 | 0 | 0 | 111.6 | L564 S621 L622 F640 S641 I642 G648 | L564-V644 HydrophobicContact CD1-CG1 4.39Å; L564-V644 HydrophobicContact CD1-CG2 4.16Å; L564-V644 HydrophobicContact CD2-CG2 4.07Å; L564-V644 HydrophobicContact CG-CG2 4.49Å; S621-V644 WeakPolarHBondContact OG-CG1 3.37Å; L622-V644 HydrophobicContact CD2-CG1 3.97Å; L622-V644 HydrophobicContact CG-CG1 3.99Å; F640-V644 HydrophobicContact CD1-CG2 3.9Å; F640-V644 HydrophobicContact CE1-CG2 3.45Å; F640-V644 VanDerWaalsContact CE1-CG2 3.45Å; F640-V644 HydrophobicContact CE2-CG2 4.11Å; F640-V644 HydrophobicContact CG-CG2 4.43Å; F640-V644 HydrophobicContact CZ-CG2 3.57Å; F640-V644 WeakPolarHBondContact O-CG2 3.37Å; F640-V644 PolarHBondContact O-N 2.95Å; S641-V644 PolarHBondContact O-N 3.43Å; I642-V644 PolarHBondContact O-N 3.48Å; V644-G648 WeakPolarHBondContact O-CA 3.22Å; V644-G648 PolarHBondContact O-N 3.12Å |
| 645 | M | 94.7 | Very high | 92.8 | Very high | 110 Ų | 110 | 63.6 Ų | 63.6 | 54% | 0.542 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 176.6 | -72 | 168.1 | 64.7 | 0 | 0 | 111.8 | S641 I642 G648 S649 | S641-M645 WeakPolarHBondContact O-CB 3.46Å; S641-M645 VanDerWaalsContact O-CG 3.26Å; S641-M645 WeakPolarHBondContact O-CG 3.19Å; S641-M645 PolarHBondContact O-N 2.79Å; I642-M645 PolarHBondContact O-N 3.29Å; M645-G648 PolarHBondContact O-N 3.19Å; M645-S649 WeakPolarHBondContact O-CB 3.43Å; M645-S649 PolarHBondContact O-N 3.44Å |
| 646 | L | 95 | Very high | 92.7 | Very high | 116 Ų | 116 | 62.8 Ų | 62.8 | 61% | 0.607 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.3 | -52.8 | 176.9 | -168.3 | 161.5 | 0 | 0 | 0 | 111 | I642 C643 G648 S649 L650 | I642-L646 PolarHBondContact O-N 3.47Å; C643-L646 PolarHBondContact O-N 3.38Å; L646-G648 VanDerWaalsContact C-N 3.31Å; L646-G648 PolarHBondContact O-N 2.85Å; L646-S649 PolarHBondContact O-N 2.76Å; L646-S649 PolarHBondContact O-OG 3.05Å; L646-L650 PolarHBondContact O-N 3.49Å |
| 647 | I | 93.4 | Very high | 92.7 | Very high | 68 Ų | 68 | 62.9 Ų | 62.9 | 35% | 0.349 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 177.2 | -68 | 167.1 | 0 | 0 | 0 | 110.7 | C643 L650 M651 | C643-I647 WeakPolarHBondContact O-CB 3.09Å; C643-I647 VanDerWaalsContact O-CG1 3.28Å; C643-I647 WeakPolarHBondContact O-CG1 3.18Å; C643-I647 PolarHBondContact O-N 3.28Å; I647-L650 PolarHBondContact O-N 3.16Å; I647-M651 HydrophobicContact CG2-CG 4.19Å; I647-M651 HydrophobicContact CG2-SD 3.86Å; I647-M651 WeakPolarHBondContact O-CB 3.29Å; I647-M651 VanDerWaalsContact O-CG 3.31Å; I647-M651 WeakPolarHBondContact O-CG 3.5Å; I647-M651 PolarHBondContact O-N 3.12Å |
| 648 | G | 93 | Very high | 92.5 | Very high | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.3 | -48.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V644 M645 L646 L650 M651 Y652 | V644-G648 WeakPolarHBondContact O-CA 3.22Å; V644-G648 PolarHBondContact O-N 3.12Å; M645-G648 PolarHBondContact O-N 3.19Å; L646-G648 VanDerWaalsContact C-N 3.31Å; L646-G648 PolarHBondContact O-N 2.85Å; G648-L650 PolarHBondContact O-N 2.88Å; G648-M651 PolarHBondContact O-N 3.28Å; G648-Y652 WeakPolarHBondContact O-CB 3.37Å; G648-Y652 PolarHBondContact O-N 3.33Å |
| 649 | S | 92.6 | Very high | 92.2 | Very high | 76 Ų | 76 | 62.7 Ų | 62.7 | 53% | 0.531 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 179.2 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | M645 L646 A653 | M645-S649 WeakPolarHBondContact O-CB 3.43Å; M645-S649 PolarHBondContact O-N 3.44Å; L646-S649 PolarHBondContact O-N 2.76Å; L646-S649 PolarHBondContact O-OG 3.05Å; S649-A653 WeakPolarHBondContact O-CB 3.39Å; S649-A653 PolarHBondContact O-N 3.05Å |
| 650 | L | 91.4 | Very high | 91.9 | Very high | 125 Ų | 125 | 60 Ų | 60 | 65% | 0.654 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.2 | -42.3 | 178.5 | -179.7 | 62.5 | 0 | 0 | 0 | 111.8 | L646 I647 G648 S654 | L646-L650 PolarHBondContact O-N 3.49Å; I647-L650 PolarHBondContact O-N 3.16Å; G648-L650 PolarHBondContact O-N 2.88Å; L650-S654 WeakPolarHBondContact O-CB 3.34Å; L650-S654 PolarHBondContact O-N 2.89Å |
| 651 | M | 90.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 15% | 0.148 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 175.9 | -76.6 | -170.1 | 73.1 | 0 | 0 | 111.8 | F557 I560 I647 G648 A653 S654 I655 | F557-M651 HydrophobicContact CD2-CE 4.09Å; I560-M651 HydrophobicContact CB-CE 4.02Å; I560-M651 HydrophobicContact CB-SD 4.14Å; I560-M651 HydrophobicContact CD1-CE 3.46Å; I560-M651 VanDerWaalsContact CD1-CE 3.46Å; I560-M651 HydrophobicContact CD1-SD 3.81Å; I560-M651 HydrophobicContact CG1-CE 4.3Å; I560-M651 HydrophobicContact CG2-CE 4.23Å; I560-M651 HydrophobicContact CG2-SD 3.66Å; I647-M651 HydrophobicContact CG2-CG 4.19Å; I647-M651 HydrophobicContact CG2-SD 3.86Å; I647-M651 WeakPolarHBondContact O-CB 3.29Å; I647-M651 VanDerWaalsContact O-CG 3.31Å; I647-M651 WeakPolarHBondContact O-CG 3.5Å; I647-M651 PolarHBondContact O-N 3.12Å; G648-M651 PolarHBondContact O-N 3.28Å; M651-A653 PolarHBondContact O-N 2.98Å; M651-S654 PolarHBondContact O-N 2.9Å; M651-I655 HydrophobicContact CB-CD1 4.41Å; M651-I655 WeakPolarHBondContact O-CB 3.37Å; M651-I655 WeakPolarHBondContact O-CD1 3.23Å; M651-I655 WeakPolarHBondContact O-CG1 3.42Å; M651-I655 PolarHBondContact O-N 2.8Å |
| 652 | Y | 90.1 | Very high | 91.3 | Very high | 92 Ų | 92 | 62.2 Ų | 62.2 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | -179.8 | -167.4 | -87.4 | 0 | 0 | 0 | 110.7 | G648 S654 I655 F656 | G648-Y652 WeakPolarHBondContact O-CB 3.37Å; G648-Y652 PolarHBondContact O-N 3.33Å; Y652-S654 PolarHBondContact O-N 2.69Å; Y652-I655 PolarHBondContact O-N 2.79Å; Y652-F656 AromaticContact CD1-CD2 3.81Å; Y652-F656 HydrophobicContact CD1-CD2 3.81Å; Y652-F656 HydrophobicContact CD1-CE2 4.14Å; Y652-F656 HydrophobicContact CD2-CD2 4.3Å; Y652-F656 AromaticContact CD2-CE2 4Å; Y652-F656 HydrophobicContact CD2-CE2 4Å; Y652-F656 AromaticContact CE1-CD2 3.62Å; Y652-F656 HydrophobicContact CE1-CD2 3.62Å; Y652-F656 AromaticContact CE1-CE2 3.63Å; Y652-F656 HydrophobicContact CE1-CE2 3.63Å; Y652-F656 HydrophobicContact CE1-CG 4.34Å; Y652-F656 HydrophobicContact CE1-CZ 4.33Å; Y652-F656 HydrophobicContact CE2-CD2 4.13Å; Y652-F656 AromaticContact CE2-CE2 3.47Å; Y652-F656 HydrophobicContact CE2-CE2 3.47Å; Y652-F656 VanDerWaalsContact CE2-CE2 3.47Å; Y652-F656 HydrophobicContact CE2-CZ 4.27Å; Y652-F656 HydrophobicContact CG-CD2 4.15Å; Y652-F656 HydrophobicContact CG-CE2 4.3Å; Y652-F656 AromaticContact CZ-CD2 3.79Å; Y652-F656 AromaticContact CZ-CE2 3.26Å; Y652-F656 AromaticContact CZ-CZ 3.82Å; Y652-F656 WeakPolarHBondContact O-CD2 3.46Å; Y652-F656 PolarHBondContact O-N 3.12Å |
| 653 | A | 92 | Very high | 90.9 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S649 M651 G657 | S649-A653 WeakPolarHBondContact O-CB 3.39Å; S649-A653 PolarHBondContact O-N 3.05Å; M651-A653 PolarHBondContact O-N 2.98Å; A653-G657 PolarHBondContact O-N 3.24Å |
| 654 | S | 88.7 | Confident | 90.5 | Very high | 58 Ų | 58 | 64.5 Ų | 64.5 | 41% | 0.406 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 177 | -175.8 | 0 | 0 | 0 | 0 | 112.8 | L650 M651 Y652 N658 | L650-S654 WeakPolarHBondContact O-CB 3.34Å; L650-S654 PolarHBondContact O-N 2.89Å; M651-S654 PolarHBondContact O-N 2.9Å; Y652-S654 PolarHBondContact O-N 2.69Å; S654-N658 WeakPolarHBondContact O-CB 3.48Å; S654-N658 PolarHBondContact O-N 3.2Å; S654-N658 PolarHBondContact O-ND2 2.99Å; S654-N658 PolarHBondContact OG-ND2 3.02Å |
| 655 | I | 89.7 | Confident | 90 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.051 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.4 | -51.7 | 178.7 | -68.1 | 159 | 0 | 0 | 0 | 110.2 | L553 M554 F557 M651 Y652 G657 N658 V659 | L553-I655 HydrophobicContact CD1-CG1 4Å; L553-I655 HydrophobicContact CD2-CG1 4.48Å; L553-I655 HydrophobicContact CG-CG1 4.04Å; M554-I655 HydrophobicContact CE-CG2 3.74Å; M554-I655 HydrophobicContact SD-CG2 4.41Å; F557-I655 HydrophobicContact CB-CD1 3.78Å; F557-I655 HydrophobicContact CD2-CD1 3.39Å; F557-I655 HydrophobicContact CE2-CD1 4.13Å; F557-I655 HydrophobicContact CG-CD1 3.71Å; M651-I655 HydrophobicContact CB-CD1 4.41Å; M651-I655 WeakPolarHBondContact O-CB 3.37Å; M651-I655 WeakPolarHBondContact O-CD1 3.23Å; M651-I655 WeakPolarHBondContact O-CG1 3.42Å; M651-I655 PolarHBondContact O-N 2.8Å; Y652-I655 PolarHBondContact O-N 2.79Å; I655-G657 PolarHBondContact O-N 2.97Å; I655-N658 PolarHBondContact O-N 3.21Å; I655-V659 HydrophobicContact CG2-CG2 4.36Å; I655-V659 WeakPolarHBondContact O-CB 3.4Å; I655-V659 VanDerWaalsContact O-CG2 3.26Å; I655-V659 WeakPolarHBondContact O-CG2 3.43Å; I655-V659 PolarHBondContact O-N 2.91Å |
| 656 | F | 88.1 | Confident | 89.5 | Confident | 107 Ų | 107 | 73.6 Ų | 73.6 | 47% | 0.469 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.9 | -34.7 | -179.5 | -84 | -94.3 | 0 | 0 | 0 | 112.9 | Y652 S660 | Y652-F656 AromaticContact CD1-CD2 3.81Å; Y652-F656 HydrophobicContact CD1-CD2 3.81Å; Y652-F656 HydrophobicContact CD1-CE2 4.14Å; Y652-F656 HydrophobicContact CD2-CD2 4.3Å; Y652-F656 AromaticContact CD2-CE2 4Å; Y652-F656 HydrophobicContact CD2-CE2 4Å; Y652-F656 AromaticContact CE1-CD2 3.62Å; Y652-F656 HydrophobicContact CE1-CD2 3.62Å; Y652-F656 AromaticContact CE1-CE2 3.63Å; Y652-F656 HydrophobicContact CE1-CE2 3.63Å; Y652-F656 HydrophobicContact CE1-CG 4.34Å; Y652-F656 HydrophobicContact CE1-CZ 4.33Å; Y652-F656 HydrophobicContact CE2-CD2 4.13Å; Y652-F656 AromaticContact CE2-CE2 3.47Å; Y652-F656 HydrophobicContact CE2-CE2 3.47Å; Y652-F656 VanDerWaalsContact CE2-CE2 3.47Å; Y652-F656 HydrophobicContact CE2-CZ 4.27Å; Y652-F656 HydrophobicContact CG-CD2 4.15Å; Y652-F656 HydrophobicContact CG-CE2 4.3Å; Y652-F656 AromaticContact CZ-CD2 3.79Å; Y652-F656 AromaticContact CZ-CE2 3.26Å; Y652-F656 AromaticContact CZ-CZ 3.82Å; Y652-F656 WeakPolarHBondContact O-CD2 3.46Å; Y652-F656 PolarHBondContact O-N 3.12Å; F656-S660 VanDerWaalsContact O-CB 3.25Å; F656-S660 WeakPolarHBondContact O-CB 3.46Å; F656-S660 PolarHBondContact O-N 3.46Å; F656-S660 PolarHBondContact O-OG 3.33Å |
| 657 | G | 90.6 | Very high | 89.1 | Confident | 42 Ų | 42 | 74.9 Ų | 74.9 | 43% | 0.433 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | A653 I655 S660 A661 | A653-G657 PolarHBondContact O-N 3.24Å; I655-G657 PolarHBondContact O-N 2.97Å; G657-S660 PolarHBondContact O-N 3.12Å; G657-A661 WeakPolarHBondContact O-CB 3.42Å; G657-A661 PolarHBondContact O-N 2.97Å |
| 658 | N | 88.4 | Confident | 88.8 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 35% | 0.353 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 178.2 | -80.1 | -69.3 | 0 | 0 | 0 | 112.7 | L553 S654 I655 S660 A661 I662 | L553-N658 HydrophobicContact CD2-CB 3.44Å; L553-N658 VanDerWaalsContact CD2-CB 3.44Å; S654-N658 WeakPolarHBondContact O-CB 3.48Å; S654-N658 PolarHBondContact O-N 3.2Å; S654-N658 PolarHBondContact O-ND2 2.99Å; S654-N658 PolarHBondContact OG-ND2 3.02Å; I655-N658 PolarHBondContact O-N 3.21Å; N658-S660 VanDerWaalsContact C-N 3.34Å; N658-S660 PolarHBondContact O-N 3.32Å; N658-A661 PolarHBondContact O-N 3.16Å; N658-I662 WeakPolarHBondContact O-CB 3.07Å; N658-I662 WeakPolarHBondContact O-CD1 3.36Å; N658-I662 VanDerWaalsContact O-CG1 3.23Å; N658-I662 WeakPolarHBondContact O-CG1 3.32Å; N658-I662 PolarHBondContact O-N 3.03Å |
| 659 | V | 88 | Confident | 88.4 | Confident | 27 Ų | 27 | 76.7 Ų | 76.7 | 16% | 0.164 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.7 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | L550 M554 I655 A661 I662 I663 | L550-V659 HydrophobicContact CD1-CG2 4.28Å; L550-V659 HydrophobicContact CG-CG2 4.48Å; M554-V659 HydrophobicContact CE-CG2 3.67Å; I655-V659 HydrophobicContact CG2-CG2 4.36Å; I655-V659 WeakPolarHBondContact O-CB 3.4Å; I655-V659 VanDerWaalsContact O-CG2 3.26Å; I655-V659 WeakPolarHBondContact O-CG2 3.43Å; I655-V659 PolarHBondContact O-N 2.91Å; V659-A661 PolarHBondContact O-N 3.37Å; V659-I662 PolarHBondContact O-N 3.17Å; V659-I663 HydrophobicContact CG1-CD1 3.72Å; V659-I663 HydrophobicContact CG1-CG1 4.43Å; V659-I663 WeakPolarHBondContact O-CB 3.4Å; V659-I663 VanDerWaalsContact O-CG1 3.27Å; V659-I663 WeakPolarHBondContact O-CG1 3.26Å; V659-I663 PolarHBondContact O-N 3.08Å |
| 660 | S | 89.6 | Confident | 88.2 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | F656 G657 N658 I662 I663 Q664 | F656-S660 VanDerWaalsContact O-CB 3.25Å; F656-S660 WeakPolarHBondContact O-CB 3.46Å; F656-S660 PolarHBondContact O-N 3.46Å; F656-S660 PolarHBondContact O-OG 3.33Å; G657-S660 PolarHBondContact O-N 3.12Å; N658-S660 VanDerWaalsContact C-N 3.34Å; N658-S660 PolarHBondContact O-N 3.32Å; S660-I662 PolarHBondContact O-N 3.02Å; S660-I663 PolarHBondContact O-N 3.09Å; S660-Q664 WeakPolarHBondContact O-CB 3.15Å; S660-Q664 VanDerWaalsContact O-CG 3.32Å; S660-Q664 WeakPolarHBondContact O-CG 3.43Å; S660-Q664 PolarHBondContact O-N 3.3Å |
| 661 | A | 88.4 | Confident | 88.1 | Confident | 51 Ų | 51 | 73.1 Ų | 73.1 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G657 N658 V659 R665 | G657-A661 WeakPolarHBondContact O-CB 3.42Å; G657-A661 PolarHBondContact O-N 2.97Å; N658-A661 PolarHBondContact O-N 3.16Å; V659-A661 PolarHBondContact O-N 3.37Å; A661-R665 VanDerWaalsContact O-CB 3.27Å; A661-R665 WeakPolarHBondContact O-CB 3.28Å; A661-R665 PolarHBondContact O-N 3.07Å |
| 662 | I | 86.9 | Confident | 88.1 | Confident | 30 Ų | 30 | 78 Ų | 78 | 15% | 0.154 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.8 | -41 | 175.7 | -70.2 | 165.4 | 0 | 0 | 0 | 110.9 | V549 L550 N658 V659 S660 R665 L666 | V549-I662 HydrophobicContact CB-CD1 4.15Å; V549-I662 HydrophobicContact CG1-CD1 3.98Å; L550-I662 HydrophobicContact CB-CD1 4.13Å; L550-I662 HydrophobicContact CD1-CG2 4.45Å; N658-I662 WeakPolarHBondContact O-CB 3.07Å; N658-I662 WeakPolarHBondContact O-CD1 3.36Å; N658-I662 VanDerWaalsContact O-CG1 3.23Å; N658-I662 WeakPolarHBondContact O-CG1 3.32Å; N658-I662 PolarHBondContact O-N 3.03Å; V659-I662 PolarHBondContact O-N 3.17Å; S660-I662 PolarHBondContact O-N 3.02Å; I662-R665 PolarHBondContact O-N 3.1Å; I662-L666 WeakPolarHBondContact O-CB 3.2Å; I662-L666 PolarHBondContact O-N 3.19Å |
| 663 | I | 86.8 | Confident | 88.2 | Confident | 83 Ų | 83 | 75.9 Ų | 75.9 | 43% | 0.426 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.8 | -50.4 | 174.4 | -72.3 | 168.6 | 0 | 0 | 0 | 110.4 | V659 S660 R665 L666 Y667 | V659-I663 HydrophobicContact CG1-CD1 3.72Å; V659-I663 HydrophobicContact CG1-CG1 4.43Å; V659-I663 WeakPolarHBondContact O-CB 3.4Å; V659-I663 VanDerWaalsContact O-CG1 3.27Å; V659-I663 WeakPolarHBondContact O-CG1 3.26Å; V659-I663 PolarHBondContact O-N 3.08Å; S660-I663 PolarHBondContact O-N 3.09Å; I663-R665 VanDerWaalsContact C-N 3.3Å; I663-R665 PolarHBondContact O-N 2.89Å; I663-L666 PolarHBondContact O-N 3.22Å; I663-Y667 HydrophobicContact CG2-CD2 3.83Å; I663-Y667 HydrophobicContact CG2-CE2 4.06Å; I663-Y667 VanDerWaalsContact O-CD2 3.31Å; I663-Y667 WeakPolarHBondContact O-CD2 3.31Å; I663-Y667 PolarHBondContact O-N 2.95Å |
| 664 | Q | 87.2 | Confident | 88.2 | Confident | 142 Ų | 142 | 77.8 Ų | 77.8 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -57.8 | -41.8 | 176 | -72.6 | 173.2 | -0.5 | 0 | 0 | 112 | S660 S668 | S660-Q664 WeakPolarHBondContact O-CB 3.15Å; S660-Q664 VanDerWaalsContact O-CG 3.32Å; S660-Q664 WeakPolarHBondContact O-CG 3.43Å; S660-Q664 PolarHBondContact O-N 3.3Å; Q664-S668 WeakPolarHBondContact O-CB 3.4Å; Q664-S668 PolarHBondContact O-N 3.25Å |
| 665 | R | 85.8 | Confident | 88.5 | Confident | 171 Ų | 171 | 78.2 Ų | 78.2 | 65% | 0.645 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.7 | -41.4 | 176.2 | -174.7 | 176.6 | 178.6 | -173 | -0.7 | 112.3 | A661 I662 I663 S668 | A661-R665 VanDerWaalsContact O-CB 3.27Å; A661-R665 WeakPolarHBondContact O-CB 3.28Å; A661-R665 PolarHBondContact O-N 3.07Å; I662-R665 PolarHBondContact O-N 3.1Å; I663-R665 VanDerWaalsContact C-N 3.3Å; I663-R665 PolarHBondContact O-N 2.89Å; R665-S668 WeakPolarHBondContact O-CB 3.36Å; R665-S668 PolarHBondContact O-N 2.76Å; R665-S668 PolarHBondContact O-OG 2.86Å |
| 666 | L | 83.5 | Confident | 88.6 | Confident | 129 Ų | 129 | 80.3 Ų | 80.3 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.9 | -46.5 | 179.1 | -178.9 | 63.2 | 0 | 0 | 0 | 111.5 | I662 I663 S668 | I662-L666 WeakPolarHBondContact O-CB 3.2Å; I662-L666 PolarHBondContact O-N 3.19Å; I663-L666 PolarHBondContact O-N 3.22Å; L666-S668 VanDerWaalsContact C-N 3.3Å; L666-S668 PolarHBondContact O-N 3.33Å |
| 667 | Y | 87.1 | Confident | 88.8 | Confident | 144 Ų | 144 | 75.5 Ų | 75.5 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -82.6 | -0.8 | 179.7 | -69.4 | -70 | 0 | 0 | 0 | 114.4 | I663 G669 T670 A671 | I663-Y667 HydrophobicContact CG2-CD2 3.83Å; I663-Y667 HydrophobicContact CG2-CE2 4.06Å; I663-Y667 VanDerWaalsContact O-CD2 3.31Å; I663-Y667 WeakPolarHBondContact O-CD2 3.31Å; I663-Y667 PolarHBondContact O-N 2.95Å; Y667-G669 VanDerWaalsContact C-N 3.29Å; Y667-G669 PolarHBondContact O-N 3.37Å; Y667-T670 PolarHBondContact O-N 3.46Å; Y667-T670 VanDerWaalsContact O-N 3.15Å; Y667-A671 WeakPolarHBondContact O-CB 3.34Å; Y667-A671 PolarHBondContact O-N 2.86Å |
| 668 | S | 87.1 | Confident | 89.1 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 48% | 0.476 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -54.6 | -37.9 | -175.3 | 62.1 | 0 | 0 | 0 | 0 | 114.5 | Q664 R665 L666 R672 | Q664-S668 WeakPolarHBondContact O-CB 3.4Å; Q664-S668 PolarHBondContact O-N 3.25Å; R665-S668 WeakPolarHBondContact O-CB 3.36Å; R665-S668 PolarHBondContact O-N 2.76Å; R665-S668 PolarHBondContact O-OG 2.86Å; L666-S668 VanDerWaalsContact C-N 3.3Å; L666-S668 PolarHBondContact O-N 3.33Å; S668-R672 VanDerWaalsContact O-CB 3.31Å; S668-R672 WeakPolarHBondContact O-CB 3.45Å; S668-R672 PolarHBondContact O-N 3.34Å |
| 669 | G | 85 | Confident | 89.4 | Confident | 40 Ų | 40 | 81.6 Ų | 81.6 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.6 | -50.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y667 R672 Y673 | Y667-G669 VanDerWaalsContact C-N 3.29Å; Y667-G669 PolarHBondContact O-N 3.37Å; G669-R672 PolarHBondContact O-N 3.49Å; G669-Y673 PolarHBondContact O-N 3.43Å |
| 670 | T | 88.3 | Confident | 89.8 | Confident | 75 Ų | 75 | 81.9 Ų | 81.9 | 46% | 0.46 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 179.1 | -46.3 | 0 | 0 | 0 | 0 | 111.8 | Y667 Y673 H674 | Y667-T670 PolarHBondContact O-N 3.46Å; Y667-T670 VanDerWaalsContact O-N 3.15Å; T670-Y673 WeakPolarHBondContact O-CB 3.37Å; T670-Y673 PolarHBondContact O-N 2.96Å; T670-H674 PolarHBondContact O-CD2 3.38Å; T670-H674 PolarHBondContact O-N 3.15Å |
| 671 | A | 89.2 | Confident | 90 | Very high | 51 Ų | 51 | 84.6 Ų | 84.6 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y667 Y673 H674 T675 | Y667-A671 WeakPolarHBondContact O-CB 3.34Å; Y667-A671 PolarHBondContact O-N 2.86Å; A671-Y673 VanDerWaalsContact C-N 3.32Å; A671-Y673 PolarHBondContact O-N 2.86Å; A671-H674 PolarHBondContact O-N 3.19Å; A671-T675 PolarHBondContact O-N 3.31Å; A671-T675 PolarHBondContact O-OG1 3.47Å |
| 672 | R | 89.8 | Confident | 90.4 | Very high | 132 Ų | 132 | 87 Ų | 87 | 50% | 0.498 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 176.6 | -169.8 | -175.4 | 172.4 | -173.7 | -3.9 | 111.9 | S668 G669 T675 Q676 W705 G710 | S668-R672 VanDerWaalsContact O-CB 3.31Å; S668-R672 WeakPolarHBondContact O-CB 3.45Å; S668-R672 PolarHBondContact O-N 3.34Å; G669-R672 PolarHBondContact O-N 3.49Å; R672-T675 PolarHBondContact O-N 2.93Å; R672-Q676 WeakPolarHBondContact O-CG 3.46Å; R672-Q676 PolarHBondContact O-N 2.99Å; R672-W705 HydrophobicContact CB-CH2 4.08Å; R672-W705 HydrophobicContact CG-CH2 3.85Å; R672-G710 PolarHBondContact NH1-O 2.95Å |
| 673 | Y | 91.9 | Very high | 90.9 | Very high | 48 Ų | 48 | 90.9 Ų | 90.9 | 19% | 0.188 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -56.2 | -54.9 | 173.7 | 171.5 | -114 | 0 | 0 | 0 | 111.4 | G669 T670 A671 T675 Q676 M677 F701 W705 | G669-Y673 PolarHBondContact O-N 3.43Å; T670-Y673 WeakPolarHBondContact O-CB 3.37Å; T670-Y673 PolarHBondContact O-N 2.96Å; A671-Y673 VanDerWaalsContact C-N 3.32Å; A671-Y673 PolarHBondContact O-N 2.86Å; Y673-T675 PolarHBondContact O-N 2.98Å; Y673-Q676 PolarHBondContact O-N 3.44Å; Y673-M677 HydrophobicContact CE2-CE 4.3Å; Y673-M677 WeakPolarHBondContact O-CB 3.39Å; Y673-M677 PolarHBondContact O-N 3.43Å; Y673-F701 AromaticContact CD2-CE1 3.96Å; Y673-F701 HydrophobicContact CD2-CE1 3.96Å; Y673-F701 HydrophobicContact CE2-CD1 4.27Å; Y673-F701 AromaticContact CE2-CE1 3.83Å; Y673-F701 HydrophobicContact CE2-CE1 3.83Å; Y673-W705 HydrophobicContact CD2-CB 4.28Å; Y673-W705 AromaticContact CD2-CD1 3.66Å; Y673-W705 AromaticContact CD2-CD2 3.64Å; Y673-W705 HydrophobicContact CD2-CD2 3.64Å; Y673-W705 AromaticContact CD2-CE2 3.81Å; Y673-W705 HydrophobicContact CD2-CE3 4.25Å; Y673-W705 AromaticContact CD2-CG 3.59Å; Y673-W705 HydrophobicContact CD2-CG 3.59Å; Y673-W705 AromaticContact CD2-NE1 3.79Å; Y673-W705 HydrophobicContact CE2-CB 4.35Å; Y673-W705 HydrophobicContact CE2-CG 4.1Å; Y673-W705 HydrophobicContact CG-CD2 4.4Å |
| 674 | H | 92.8 | Very high | 91.3 | Very high | 104 Ų | 104 | 87.4 Ų | 87.4 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | -179.3 | -69.7 | -61.8 | 0 | 0 | 0 | 112.5 | T670 A671 Q676 M677 L678 | T670-H674 PolarHBondContact O-CD2 3.38Å; T670-H674 PolarHBondContact O-N 3.15Å; A671-H674 PolarHBondContact O-N 3.19Å; H674-Q676 PolarHBondContact O-N 2.96Å; H674-M677 PolarHBondContact O-N 3.48Å; H674-L678 WeakPolarHBondContact O-CB 3.25Å; H674-L678 VanDerWaalsContact O-CG 3.27Å; H674-L678 WeakPolarHBondContact O-CG 3.32Å; H674-L678 PolarHBondContact O-N 3.37Å |
| 675 | T | 93.3 | Very high | 91.7 | Very high | 67 Ų | 67 | 89.7 Ų | 89.7 | 41% | 0.411 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 176 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | A671 R672 Y673 R679 | A671-T675 PolarHBondContact O-N 3.31Å; A671-T675 PolarHBondContact O-OG1 3.47Å; R672-T675 PolarHBondContact O-N 2.93Å; Y673-T675 PolarHBondContact O-N 2.98Å; T675-R679 WeakPolarHBondContact O-CG 3.43Å; T675-R679 PolarHBondContact O-N 3.18Å |
| 676 | Q | 92.6 | Very high | 92.3 | Very high | 54 Ų | 54 | 89.5 Ų | 89.5 | 25% | 0.252 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -74.7 | -39 | 176.2 | -61.8 | -47.2 | -43.2 | 0 | 0 | 112.2 | R672 Y673 H674 L678 R679 V680 F701 W705 | R672-Q676 WeakPolarHBondContact O-CG 3.46Å; R672-Q676 PolarHBondContact O-N 2.99Å; Y673-Q676 PolarHBondContact O-N 3.44Å; H674-Q676 PolarHBondContact O-N 2.96Å; Q676-L678 VanDerWaalsContact C-N 3.31Å; Q676-L678 PolarHBondContact O-N 2.87Å; Q676-R679 VanDerWaalsContact NE2-NH1 3.14Å; Q676-R679 WeakPolarHBondContact O-CB 3.43Å; Q676-R679 PolarHBondContact O-N 3.03Å; Q676-R679 VanDerWaalsContact OE1-NH1 3.1Å; Q676-V680 WeakPolarHBondContact O-CG2 3.35Å; Q676-V680 PolarHBondContact O-N 3.3Å; Q676-F701 HydrophobicContact CB-CE1 4.45Å; Q676-F701 HydrophobicContact CB-CE2 4.13Å; Q676-F701 HydrophobicContact CB-CZ 3.55Å; Q676-W705 HydrophobicContact CG-CZ3 4.43Å |
| 677 | M | 92.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 88.5 Ų | 88.5 | 3% | 0.034 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 174.3 | 177.4 | 57.3 | 80.2 | 0 | 0 | 112.1 | Y673 H674 V680 R681 F701 Q702 | Y673-M677 HydrophobicContact CE2-CE 4.3Å; Y673-M677 WeakPolarHBondContact O-CB 3.39Å; Y673-M677 PolarHBondContact O-N 3.43Å; H674-M677 PolarHBondContact O-N 3.48Å; M677-V680 PolarHBondContact O-N 2.99Å; M677-R681 WeakPolarHBondContact O-CG 3.46Å; M677-R681 PolarHBondContact O-N 3.45Å; M677-R681 HydrophobicContact SD-CG 4.24Å; M677-F701 HydrophobicContact CB-CE1 4.3Å; M677-F701 HydrophobicContact CE-CD1 3.68Å; M677-F701 HydrophobicContact CE-CE1 4.33Å; M677-Q702 HydrophobicContact CE-CG 3.73Å |
| 678 | L | 95.7 | Very high | 93.3 | Very high | 96 Ų | 96 | 89.8 Ų | 89.8 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 172.7 | -76.6 | 168.2 | 0 | 0 | 0 | 111.4 | H674 Q676 V680 R681 E682 | H674-L678 WeakPolarHBondContact O-CB 3.25Å; H674-L678 VanDerWaalsContact O-CG 3.27Å; H674-L678 WeakPolarHBondContact O-CG 3.32Å; H674-L678 PolarHBondContact O-N 3.37Å; Q676-L678 VanDerWaalsContact C-N 3.31Å; Q676-L678 PolarHBondContact O-N 2.87Å; L678-V680 VanDerWaalsContact C-N 3.32Å; L678-V680 PolarHBondContact O-N 3.05Å; L678-R681 CarbonylContact O-C 3.43Å; L678-R681 PolarHBondContact O-N 2.9Å; L678-R681 VanDerWaalsContact O-N 3.09Å; L678-E682 WeakPolarHBondContact O-CB 3.46Å; L678-E682 VanDerWaalsContact O-CG 3.31Å; L678-E682 WeakPolarHBondContact O-CG 3.43Å; L678-E682 PolarHBondContact O-N 2.82Å |
| 679 | R | 95.9 | Very high | 93.7 | Very high | 139 Ų | 139 | 87.8 Ų | 87.8 | 53% | 0.525 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 175.4 | -68.7 | 165.9 | 177.8 | -165.6 | -6.8 | 112.8 | T675 Q676 E682 F683 | T675-R679 WeakPolarHBondContact O-CG 3.43Å; T675-R679 PolarHBondContact O-N 3.18Å; Q676-R679 VanDerWaalsContact NE2-NH1 3.14Å; Q676-R679 WeakPolarHBondContact O-CB 3.43Å; Q676-R679 PolarHBondContact O-N 3.03Å; Q676-R679 VanDerWaalsContact OE1-NH1 3.1Å; R679-E682 PolarHBondContact O-N 2.68Å; R679-F683 VanDerWaalsContact O-CB 3.31Å; R679-F683 WeakPolarHBondContact O-CB 3.31Å; R679-F683 PolarHBondContact O-N 3.43Å |
| 680 | V | 95.7 | Very high | 94.3 | Very high | 34 Ų | 34 | 89.8 Ų | 89.8 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.4 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | Q676 M677 L678 F683 I684 F701 | Q676-V680 WeakPolarHBondContact O-CG2 3.35Å; Q676-V680 PolarHBondContact O-N 3.3Å; M677-V680 PolarHBondContact O-N 2.99Å; L678-V680 VanDerWaalsContact C-N 3.32Å; L678-V680 PolarHBondContact O-N 3.05Å; V680-F683 PolarHBondContact O-N 3.44Å; V680-I684 HydrophobicContact CG1-CD1 3.75Å; V680-I684 WeakPolarHBondContact O-CB 3.47Å; V680-I684 WeakPolarHBondContact O-CD1 3.49Å; V680-I684 VanDerWaalsContact O-CG1 3.22Å; V680-I684 WeakPolarHBondContact O-CG1 3.36Å; V680-I684 PolarHBondContact O-N 3.35Å; V680-F701 HydrophobicContact CG2-CD2 4.01Å; V680-F701 HydrophobicContact CG2-CE2 4.33Å; V680-F701 HydrophobicContact CG2-CG 4.34Å |
| 681 | R | 94.8 | Very high | 94.4 | Very high | 111 Ų | 111 | 91.9 Ų | 91.9 | 42% | 0.419 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.7 | -34 | 177.3 | -73.2 | 173.6 | 170.3 | 175.8 | -0.9 | 113.5 | M677 L678 R685 E698 | M677-R681 WeakPolarHBondContact O-CG 3.46Å; M677-R681 PolarHBondContact O-N 3.45Å; M677-R681 HydrophobicContact SD-CG 4.24Å; L678-R681 CarbonylContact O-C 3.43Å; L678-R681 PolarHBondContact O-N 2.9Å; L678-R681 VanDerWaalsContact O-N 3.09Å; R681-R685 WeakPolarHBondContact O-CB 3.35Å; R681-R685 PolarHBondContact O-N 3.27Å; R681-E698 IonicContact CZ-OE2 3.81Å; R681-E698 VanDerWaalsContact CZ-OE2 3.23Å; R681-E698 IonicContact NE-OE2 3.32Å; R681-E698 PolarHBondContact NE-OE2 3.47Å; R681-E698 IonicContact NH2-OE2 3.49Å; R681-E698 PolarHBondContact NH2-OE2 3.13Å |
| 682 | E | 96.2 | Very high | 94.5 | Very high | 103 Ų | 103 | 93.7 Ų | 93.7 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 172.9 | -74.5 | 160.9 | -176.6 | 0 | 0 | 111 | L678 R679 R685 F686 | L678-E682 WeakPolarHBondContact O-CB 3.46Å; L678-E682 VanDerWaalsContact O-CG 3.31Å; L678-E682 WeakPolarHBondContact O-CG 3.43Å; L678-E682 PolarHBondContact O-N 2.82Å; R679-E682 PolarHBondContact O-N 2.68Å; E682-R685 PolarHBondContact O-N 3.44Å; E682-F686 VanDerWaalsContact O-CB 3.28Å; E682-F686 WeakPolarHBondContact O-CB 3.24Å; E682-F686 PolarHBondContact O-N 3.15Å |
| 683 | F | 96.9 | Very high | 94.5 | Very high | 110 Ų | 110 | 91.8 Ų | 91.8 | 48% | 0.482 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 173.2 | 178.5 | -95.2 | 0 | 0 | 0 | 112.1 | R679 V680 R685 F686 H687 I689 | R679-F683 VanDerWaalsContact O-CB 3.31Å; R679-F683 WeakPolarHBondContact O-CB 3.31Å; R679-F683 PolarHBondContact O-N 3.43Å; V680-F683 PolarHBondContact O-N 3.44Å; F683-R685 VanDerWaalsContact C-N 3.33Å; F683-R685 PolarHBondContact O-N 2.9Å; F683-F686 PolarHBondContact O-N 3.38Å; F683-H687 AromaticContact CD2-CD2 3.5Å; F683-H687 AromaticContact CD2-NE2 3.74Å; F683-H687 AromaticContact CE2-CD2 3.28Å; F683-H687 WeakPolarHBondContact CE2-CD2 3.23Å; F683-H687 AromaticContact CE2-NE2 3.33Å; F683-H687 VanDerWaalsContact CE2-NE2 3.33Å; F683-H687 WeakPolarHBondContact CE2-NE2 3.29Å; F683-H687 AromaticContact CZ-CD2 3.64Å; F683-H687 AromaticContact CZ-NE2 3.99Å; F683-H687 PolarHBondContact O-CD2 3.19Å; F683-H687 PolarHBondContact O-N 3.27Å; F683-I689 HydrophobicContact CD1-CD1 3.92Å; F683-I689 HydrophobicContact CE1-CD1 3.69Å |
| 684 | I | 95.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 94.3 Ų | 94.3 | 6% | 0.056 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 174.6 | -75.9 | 162.2 | 0 | 0 | 0 | 111.6 | V680 Q688 I689 R694 L697 E698 | V680-I684 HydrophobicContact CG1-CD1 3.75Å; V680-I684 WeakPolarHBondContact O-CB 3.47Å; V680-I684 WeakPolarHBondContact O-CD1 3.49Å; V680-I684 VanDerWaalsContact O-CG1 3.22Å; V680-I684 WeakPolarHBondContact O-CG1 3.36Å; V680-I684 PolarHBondContact O-N 3.35Å; I684-Q688 PolarHBondContact O-N 2.86Å; I684-I689 HydrophobicContact CG1-CD1 4.12Å; I684-I689 HydrophobicContact CG2-CB 4.32Å; I684-I689 PolarHBondContact O-N 3.36Å; I684-R694 HydrophobicContact CD1-CG 4.27Å; I684-R694 HydrophobicContact CG2-CB 4.15Å; I684-R694 HydrophobicContact CG2-CG 3.85Å; I684-L697 HydrophobicContact CD1-CB 4.22Å; I684-L697 HydrophobicContact CD1-CD1 4.44Å; I684-L697 HydrophobicContact CG1-CD1 4.19Å; I684-E698 HydrophobicContact CD1-CG 4.06Å |
| 685 | R | 95.9 | Very high | 94.3 | Very high | 190 Ų | 190 | 94.7 Ų | 94.7 | 72% | 0.717 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69 | -44 | 177.9 | -173.7 | -171.7 | -65.1 | 149.3 | -1.4 | 111.9 | R681 E682 F683 Q688 | R681-R685 WeakPolarHBondContact O-CB 3.35Å; R681-R685 PolarHBondContact O-N 3.27Å; E682-R685 PolarHBondContact O-N 3.44Å; F683-R685 VanDerWaalsContact C-N 3.33Å; F683-R685 PolarHBondContact O-N 2.9Å; R685-Q688 PolarHBondContact O-N 2.98Å |
| 686 | F | 96.9 | Very high | 94 | Very high | 167 Ų | 167 | 97.6 Ų | 97.6 | 73% | 0.732 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.7 | -44.2 | -177.5 | -179 | -99 | 0 | 0 | 0 | 112 | E682 F683 Q688 | E682-F686 VanDerWaalsContact O-CB 3.28Å; E682-F686 WeakPolarHBondContact O-CB 3.24Å; E682-F686 PolarHBondContact O-N 3.15Å; F683-F686 PolarHBondContact O-N 3.38Å; F686-Q688 VanDerWaalsContact C-N 3.32Å |
| 687 | H | 96.6 | Very high | 93.9 | Very high | 107 Ų | 107 | 97.7 Ų | 97.7 | 50% | 0.495 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 7.1 | 176.9 | -67.3 | -68.2 | 0 | 0 | 0 | 114.3 | F683 I689 | F683-H687 AromaticContact CD2-CD2 3.5Å; F683-H687 AromaticContact CD2-NE2 3.74Å; F683-H687 AromaticContact CE2-CD2 3.28Å; F683-H687 WeakPolarHBondContact CE2-CD2 3.23Å; F683-H687 AromaticContact CE2-NE2 3.33Å; F683-H687 VanDerWaalsContact CE2-NE2 3.33Å; F683-H687 WeakPolarHBondContact CE2-NE2 3.29Å; F683-H687 AromaticContact CZ-CD2 3.64Å; F683-H687 AromaticContact CZ-NE2 3.99Å; F683-H687 PolarHBondContact O-CD2 3.19Å; F683-H687 PolarHBondContact O-N 3.27Å; H687-I689 HydrophobicContact CB-CD1 4.3Å; H687-I689 HydrophobicContact CB-CG1 3.85Å; H687-I689 PolarHBondContact O-N 2.82Å |
| 688 | Q | 96.6 | Very high | 93.8 | Very high | 172 Ų | 172 | 98.2 Ų | 98.2 | 80% | 0.804 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 42.7 | -179.3 | -57.6 | -173.5 | -1.1 | 0 | 0 | 113.6 | I684 R685 F686 | I684-Q688 PolarHBondContact O-N 2.86Å; R685-Q688 PolarHBondContact O-N 2.98Å; F686-Q688 VanDerWaalsContact C-N 3.32Å |
| 689 | I | 95.5 | Very high | 93.5 | Very high | 25 Ų | 25 | 98.3 Ų | 98.3 | 13% | 0.128 | 45% | 0.453 | C | S | . | . | trans | -64 | 127.7 | -170.5 | -61.7 | -173.7 | 0 | 0 | 0 | 110.7 | F683 I684 H687 L693 R694 L697 | F683-I689 HydrophobicContact CD1-CD1 3.92Å; F683-I689 HydrophobicContact CE1-CD1 3.69Å; I684-I689 HydrophobicContact CG1-CD1 4.12Å; I684-I689 HydrophobicContact CG2-CB 4.32Å; I684-I689 PolarHBondContact O-N 3.36Å; H687-I689 HydrophobicContact CB-CD1 4.3Å; H687-I689 HydrophobicContact CB-CG1 3.85Å; H687-I689 PolarHBondContact O-N 2.82Å; I689-L693 HydrophobicContact CG2-CB 3.9Å; I689-L693 HydrophobicContact CG2-CD2 3.98Å; I689-L693 HydrophobicContact CG2-CG 3.84Å; I689-R694 HydrophobicContact CG2-CB 4.32Å; I689-L697 HydrophobicContact CD1-CD1 3.93Å; I689-L697 HydrophobicContact CG2-CD1 4.26Å | ||
| 690 | P | 96 | Very high | 93 | Very high | 82 Ų | 82 | 97.5 Ų | 97.5 | 53% | 0.532 | 45% | 0.45 | S | S | . | . | trans | -66.3 | 145.1 | -174.9 | 26.9 | -35.8 | 0 | 0 | 0 | 112.3 | P692 L693 R694 | P690-P692 VanDerWaalsContact C-CD 3.47Å; P690-P692 VanDerWaalsContact O-N 3.12Å; P690-L693 HydrophobicContact CG-CB 4.47Å; P690-L693 PolarHBondContact O-N 2.88Å; P690-R694 PolarHBondContact O-N 3.47Å | ||
| 691 | N | 92.2 | Very high | 92.7 | Very high | 119 Ų | 119 | 98 Ų | 98 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -40.2 | -48.6 | -175.9 | -72.5 | -22.9 | 0 | 0 | 0 | 116.4 | L693 R694 Q695 | N691-L693 PolarHBondContact O-N 3.24Å; N691-R694 PolarHBondContact O-N 1.86Å; N691-Q695 WeakPolarHBondContact O-CB 3.38Å; N691-Q695 PolarHBondContact O-N 3.13Å |
| 692 | P | 90.3 | Very high | 92.5 | Very high | 90 Ų | 90 | 96.9 Ų | 96.9 | 58% | 0.584 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64 | -35.7 | 179.6 | 23.7 | -35.1 | 0 | 0 | 0 | 114.2 | P690 R696 | P690-P692 VanDerWaalsContact C-CD 3.47Å; P690-P692 VanDerWaalsContact O-N 3.12Å; P692-R696 WeakPolarHBondContact O-CG 3.5Å; P692-R696 PolarHBondContact O-N 3.24Å |
| 693 | L | 89.4 | Confident | 92 | Very high | 92 Ų | 92 | 94.4 Ų | 94.4 | 48% | 0.482 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -79.1 | -37.4 | 175.7 | -178.7 | 56.8 | 0 | 0 | 0 | 110.9 | I689 P690 N691 Q695 R696 L697 | I689-L693 HydrophobicContact CG2-CB 3.9Å; I689-L693 HydrophobicContact CG2-CD2 3.98Å; I689-L693 HydrophobicContact CG2-CG 3.84Å; P690-L693 HydrophobicContact CG-CB 4.47Å; P690-L693 PolarHBondContact O-N 2.88Å; N691-L693 PolarHBondContact O-N 3.24Å; L693-Q695 PolarHBondContact O-N 2.86Å; L693-R696 PolarHBondContact O-N 2.81Å; L693-L697 HydrophobicContact CG-CD1 4.34Å; L693-L697 WeakPolarHBondContact O-CG 3.27Å; L693-L697 PolarHBondContact O-N 3Å |
| 694 | R | 90.9 | Very high | 91.4 | Very high | 100 Ų | 100 | 90.5 Ų | 90.5 | 38% | 0.377 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.8 | -46.9 | 172.2 | 162.5 | 174.7 | -175.1 | -146.7 | -11.3 | 112 | I684 I689 P690 N691 L697 E698 | I684-R694 HydrophobicContact CD1-CG 4.27Å; I684-R694 HydrophobicContact CG2-CB 4.15Å; I684-R694 HydrophobicContact CG2-CG 3.85Å; I689-R694 HydrophobicContact CG2-CB 4.32Å; P690-R694 PolarHBondContact O-N 3.47Å; N691-R694 PolarHBondContact O-N 1.86Å; R694-L697 PolarHBondContact O-N 3.37Å; R694-E698 IonicContact CZ-OE1 3.41Å; R694-E698 VanDerWaalsContact CZ-OE1 3.24Å; R694-E698 IonicContact NE-OE1 2.74Å; R694-E698 PolarHBondContact NE-OE1 3.44Å; R694-E698 IonicContact NH2-OE1 3.16Å; R694-E698 PolarHBondContact NH2-OE1 3.15Å; R694-E698 PolarHBondContact O-N 3.38Å |
| 695 | Q | 90.6 | Very high | 91 | Very high | 113 Ų | 113 | 92.1 Ų | 92.1 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.7 | -48.9 | -180 | 179.7 | 171.8 | -6.2 | 0 | 0 | 110.7 | N691 L693 L697 E698 E699 | N691-Q695 WeakPolarHBondContact O-CB 3.38Å; N691-Q695 PolarHBondContact O-N 3.13Å; L693-Q695 PolarHBondContact O-N 2.86Å; Q695-L697 VanDerWaalsContact C-N 3.3Å; Q695-L697 PolarHBondContact O-N 3.24Å; Q695-E698 PolarHBondContact O-N 3.13Å; Q695-E699 HydrophobicContact CG-CG 4.25Å; Q695-E699 VanDerWaalsContact CG-OE1 3.24Å; Q695-E699 WeakPolarHBondContact CG-OE1 3.22Å; Q695-E699 PolarHBondContact NE2-OE1 3.03Å; Q695-E699 WeakPolarHBondContact O-CB 3.45Å; Q695-E699 WeakPolarHBondContact O-CG 3.07Å; Q695-E699 PolarHBondContact O-N 3.17Å |
| 696 | R | 86.6 | Confident | 90.6 | Very high | 127 Ų | 127 | 86.9 Ų | 86.9 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57 | -40.9 | 175.1 | -67.4 | -178.9 | -170.1 | -164.5 | 2 | 112.6 | P692 L693 Y700 | P692-R696 WeakPolarHBondContact O-CG 3.5Å; P692-R696 PolarHBondContact O-N 3.24Å; L693-R696 PolarHBondContact O-N 2.81Å; R696-Y700 WeakPolarHBondContact O-CB 3.36Å; R696-Y700 PolarHBondContact O-N 3.14Å |
| 697 | L | 89.8 | Confident | 90 | Very high | 57 Ų | 57 | 84.8 Ų | 84.8 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.8 | -71.8 | 171.2 | 0 | 0 | 0 | 112.7 | I684 I689 L693 R694 Q695 F701 | I684-L697 HydrophobicContact CD1-CB 4.22Å; I684-L697 HydrophobicContact CD1-CD1 4.44Å; I684-L697 HydrophobicContact CG1-CD1 4.19Å; I689-L697 HydrophobicContact CD1-CD1 3.93Å; I689-L697 HydrophobicContact CG2-CD1 4.26Å; L693-L697 HydrophobicContact CG-CD1 4.34Å; L693-L697 WeakPolarHBondContact O-CG 3.27Å; L693-L697 PolarHBondContact O-N 3Å; R694-L697 PolarHBondContact O-N 3.37Å; Q695-L697 VanDerWaalsContact C-N 3.3Å; Q695-L697 PolarHBondContact O-N 3.24Å; L697-F701 VanDerWaalsContact O-CB 3.32Å; L697-F701 WeakPolarHBondContact O-CB 3.45Å; L697-F701 PolarHBondContact O-N 3Å |
| 698 | E | 91.5 | Very high | 89.5 | Confident | 17 Ų | 17 | 81.4 Ų | 81.4 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 177.5 | -69.8 | -164.6 | -124.1 | 0 | 0 | 111.7 | R681 I684 R694 Q695 Q702 | R681-E698 IonicContact CZ-OE2 3.81Å; R681-E698 VanDerWaalsContact CZ-OE2 3.23Å; R681-E698 IonicContact NE-OE2 3.32Å; R681-E698 PolarHBondContact NE-OE2 3.47Å; R681-E698 IonicContact NH2-OE2 3.49Å; R681-E698 PolarHBondContact NH2-OE2 3.13Å; I684-E698 HydrophobicContact CD1-CG 4.06Å; R694-E698 IonicContact CZ-OE1 3.41Å; R694-E698 VanDerWaalsContact CZ-OE1 3.24Å; R694-E698 IonicContact NE-OE1 2.74Å; R694-E698 PolarHBondContact NE-OE1 3.44Å; R694-E698 IonicContact NH2-OE1 3.16Å; R694-E698 PolarHBondContact NH2-OE1 3.15Å; R694-E698 PolarHBondContact O-N 3.38Å; Q695-E698 PolarHBondContact O-N 3.13Å; E698-Q702 WeakPolarHBondContact O-CB 3.28Å; E698-Q702 VanDerWaalsContact O-CG 3.25Å; E698-Q702 WeakPolarHBondContact O-CG 3.5Å; E698-Q702 PolarHBondContact O-N 3.18Å; E698-Q702 VanDerWaalsContact O-N 3.13Å; E698-Q702 PolarHBondContact O-NE2 2.74Å |
| 699 | E | 88.6 | Confident | 89 | Confident | 99 Ų | 99 | 78.9 Ų | 78.9 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.7 | -47.2 | 176.8 | -73.5 | 174.1 | 177.9 | 0 | 0 | 112.6 | Q695 F701 Q702 H703 | Q695-E699 HydrophobicContact CG-CG 4.25Å; Q695-E699 VanDerWaalsContact CG-OE1 3.24Å; Q695-E699 WeakPolarHBondContact CG-OE1 3.22Å; Q695-E699 PolarHBondContact NE2-OE1 3.03Å; Q695-E699 WeakPolarHBondContact O-CB 3.45Å; Q695-E699 WeakPolarHBondContact O-CG 3.07Å; Q695-E699 PolarHBondContact O-N 3.17Å; E699-F701 VanDerWaalsContact C-N 3.32Å; E699-F701 PolarHBondContact O-N 3.25Å; E699-Q702 PolarHBondContact O-N 3.37Å; E699-H703 WeakPolarHBondContact O-CB 3.48Å; E699-H703 PolarHBondContact O-N 2.84Å |
| 700 | Y | 86 | Confident | 88.5 | Confident | 122 Ų | 122 | 78 Ų | 78 | 48% | 0.478 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 174.9 | 171.2 | -93.5 | 0 | 0 | 0 | 110.9 | R696 Q702 H703 A704 | R696-Y700 WeakPolarHBondContact O-CB 3.36Å; R696-Y700 PolarHBondContact O-N 3.14Å; Y700-Q702 PolarHBondContact O-N 3.43Å; Y700-H703 PolarHBondContact O-N 3.1Å; Y700-A704 HydrophobicContact CE1-CB 4.41Å; Y700-A704 WeakPolarHBondContact O-CB 3.33Å; Y700-A704 PolarHBondContact O-N 2.65Å |
| 701 | F | 89.6 | Confident | 88.1 | Confident | 43 Ų | 43 | 78.1 Ų | 78.1 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 178.7 | -175.2 | -89.2 | 0 | 0 | 0 | 111.9 | Y673 Q676 M677 V680 L697 E699 W705 | Y673-F701 AromaticContact CD2-CE1 3.96Å; Y673-F701 HydrophobicContact CD2-CE1 3.96Å; Y673-F701 HydrophobicContact CE2-CD1 4.27Å; Y673-F701 AromaticContact CE2-CE1 3.83Å; Y673-F701 HydrophobicContact CE2-CE1 3.83Å; Q676-F701 HydrophobicContact CB-CE1 4.45Å; Q676-F701 HydrophobicContact CB-CE2 4.13Å; Q676-F701 HydrophobicContact CB-CZ 3.55Å; M677-F701 HydrophobicContact CB-CE1 4.3Å; M677-F701 HydrophobicContact CE-CD1 3.68Å; M677-F701 HydrophobicContact CE-CE1 4.33Å; V680-F701 HydrophobicContact CG2-CD2 4.01Å; V680-F701 HydrophobicContact CG2-CE2 4.33Å; V680-F701 HydrophobicContact CG2-CG 4.34Å; L697-F701 VanDerWaalsContact O-CB 3.32Å; L697-F701 WeakPolarHBondContact O-CB 3.45Å; L697-F701 PolarHBondContact O-N 3Å; E699-F701 VanDerWaalsContact C-N 3.32Å; E699-F701 PolarHBondContact O-N 3.25Å; F701-W705 HydrophobicContact CE1-CE3 4.26Å; F701-W705 AromaticContact CZ-CE3 3.8Å; F701-W705 HydrophobicContact CZ-CE3 3.8Å; F701-W705 HydrophobicContact CZ-CZ3 4.36Å; F701-W705 WeakPolarHBondContact O-CB 3.36Å; F701-W705 PolarHBondContact O-N 2.99Å |
| 702 | Q | 90.4 | Very high | 87.8 | Confident | 88 Ų | 88 | 76.3 Ų | 76.3 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.6 | -79.1 | 170.8 | 83 | 0 | 0 | 112.3 | M677 E698 E699 Y700 W705 S706 | M677-Q702 HydrophobicContact CE-CG 3.73Å; E698-Q702 WeakPolarHBondContact O-CB 3.28Å; E698-Q702 VanDerWaalsContact O-CG 3.25Å; E698-Q702 WeakPolarHBondContact O-CG 3.5Å; E698-Q702 PolarHBondContact O-N 3.18Å; E698-Q702 VanDerWaalsContact O-N 3.13Å; E698-Q702 PolarHBondContact O-NE2 2.74Å; E699-Q702 PolarHBondContact O-N 3.37Å; Y700-Q702 PolarHBondContact O-N 3.43Å; Q702-W705 PolarHBondContact O-N 2.79Å; Q702-S706 WeakPolarHBondContact O-CB 3.22Å; Q702-S706 PolarHBondContact O-N 2.79Å; Q702-S706 PolarHBondContact O-OG 3.38Å |
| 703 | H | 84.9 | Confident | 87.5 | Confident | 51 Ų | 51 | 76.4 Ų | 76.4 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 178.6 | 179.3 | -99.6 | 0 | 0 | 0 | 112 | E699 Y700 W705 S706 Y707 Y827 | E699-H703 WeakPolarHBondContact O-CB 3.48Å; E699-H703 PolarHBondContact O-N 2.84Å; Y700-H703 PolarHBondContact O-N 3.1Å; H703-W705 VanDerWaalsContact C-N 3.29Å; H703-W705 PolarHBondContact O-N 3.24Å; H703-S706 PolarHBondContact O-N 3.04Å; H703-S706 PolarHBondContact O-OG 2.88Å; H703-Y707 WeakPolarHBondContact O-CB 3.44Å; H703-Y707 PolarHBondContact O-N 3.42Å; H703-Y827 AromaticContact CD2-CD1 3.92Å; H703-Y827 AromaticContact CD2-CE1 3.51Å; H703-Y827 AromaticContact CE1-CD1 3.6Å; H703-Y827 AromaticContact CE1-CE1 3.89Å; H703-Y827 AromaticContact CG-CE1 3.91Å; H703-Y827 AromaticContact NE2-CD1 3.38Å; H703-Y827 WeakPolarHBondContact NE2-CD1 3.28Å; H703-Y827 AromaticContact NE2-CE1 3.5Å |
| 704 | A | 84.4 | Confident | 87.4 | Confident | 28 Ų | 28 | 77.1 Ų | 77.1 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y700 T708 | Y700-A704 HydrophobicContact CE1-CB 4.41Å; Y700-A704 WeakPolarHBondContact O-CB 3.33Å; Y700-A704 PolarHBondContact O-N 2.65Å; A704-T708 WeakPolarHBondContact O-CB 3.34Å; A704-T708 WeakPolarHBondContact O-CG2 3.32Å; A704-T708 PolarHBondContact O-N 3.45Å; A704-T708 PolarHBondContact O-OG1 2.86Å |
| 705 | W | 88.9 | Confident | 87.3 | Confident | 45 Ų | 45 | 75 Ų | 75 | 17% | 0.17 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 175 | -171.2 | -81.3 | 0 | 0 | 0 | 112.5 | R672 Y673 Q676 F701 Q702 H703 Y707 T708 N709 | R672-W705 HydrophobicContact CB-CH2 4.08Å; R672-W705 HydrophobicContact CG-CH2 3.85Å; Y673-W705 HydrophobicContact CD2-CB 4.28Å; Y673-W705 AromaticContact CD2-CD1 3.66Å; Y673-W705 AromaticContact CD2-CD2 3.64Å; Y673-W705 HydrophobicContact CD2-CD2 3.64Å; Y673-W705 AromaticContact CD2-CE2 3.81Å; Y673-W705 HydrophobicContact CD2-CE3 4.25Å; Y673-W705 AromaticContact CD2-CG 3.59Å; Y673-W705 HydrophobicContact CD2-CG 3.59Å; Y673-W705 AromaticContact CD2-NE1 3.79Å; Y673-W705 HydrophobicContact CE2-CB 4.35Å; Y673-W705 HydrophobicContact CE2-CG 4.1Å; Y673-W705 HydrophobicContact CG-CD2 4.4Å; Q676-W705 HydrophobicContact CG-CZ3 4.43Å; F701-W705 HydrophobicContact CE1-CE3 4.26Å; F701-W705 AromaticContact CZ-CE3 3.8Å; F701-W705 HydrophobicContact CZ-CE3 3.8Å; F701-W705 HydrophobicContact CZ-CZ3 4.36Å; F701-W705 WeakPolarHBondContact O-CB 3.36Å; F701-W705 PolarHBondContact O-N 2.99Å; Q702-W705 PolarHBondContact O-N 2.79Å; H703-W705 VanDerWaalsContact C-N 3.29Å; H703-W705 PolarHBondContact O-N 3.24Å; W705-Y707 VanDerWaalsContact C-N 3.3Å; W705-Y707 PolarHBondContact O-N 3Å; W705-T708 PolarHBondContact O-N 3.25Å; W705-N709 WeakPolarHBondContact O-CA 3.37Å; W705-N709 PolarHBondContact O-N 3.39Å |
| 706 | S | 87.9 | Confident | 87.3 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 56% | 0.559 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.4 | -33.9 | 179.5 | 69.4 | 0 | 0 | 0 | 0 | 112.5 | Q702 H703 | Q702-S706 WeakPolarHBondContact O-CB 3.22Å; Q702-S706 PolarHBondContact O-N 2.79Å; Q702-S706 PolarHBondContact O-OG 3.38Å; H703-S706 PolarHBondContact O-N 3.04Å; H703-S706 PolarHBondContact O-OG 2.88Å |
| 707 | Y | 83.9 | Confident | 87.5 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 48% | 0.482 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -74.1 | -44.5 | 175.3 | -176.3 | -98.1 | 0 | 0 | 0 | 113.1 | H703 W705 H762 | H703-Y707 WeakPolarHBondContact O-CB 3.44Å; H703-Y707 PolarHBondContact O-N 3.42Å; W705-Y707 VanDerWaalsContact C-N 3.3Å; W705-Y707 PolarHBondContact O-N 3Å; Y707-H762 AromaticContact CE1-CD2 3.87Å; Y707-H762 AromaticContact CE1-CE1 3.49Å; Y707-H762 VanDerWaalsContact CE1-CE1 3.49Å; Y707-H762 WeakPolarHBondContact CE1-CE1 3.4Å; Y707-H762 AromaticContact CE1-NE2 3.3Å; Y707-H762 VanDerWaalsContact CE1-NE2 3.3Å; Y707-H762 WeakPolarHBondContact CE1-NE2 3.4Å; Y707-H762 AromaticContact CZ-CE1 3.42Å; Y707-H762 VanDerWaalsContact CZ-CE1 3.42Å; Y707-H762 AromaticContact CZ-NE2 3.74Å; Y707-H762 PolarHBondContact OH-CE1 3.21Å; Y707-H762 VanDerWaalsContact OH-CE1 3.22Å |
| 708 | T | 85.8 | Confident | 87.5 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -89.5 | -11.5 | -176.7 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | A704 W705 G710 I711 M713 | A704-T708 WeakPolarHBondContact O-CB 3.34Å; A704-T708 WeakPolarHBondContact O-CG2 3.32Å; A704-T708 PolarHBondContact O-N 3.45Å; A704-T708 PolarHBondContact O-OG1 2.86Å; W705-T708 PolarHBondContact O-N 3.25Å; T708-G710 PolarHBondContact O-N 3.43Å; T708-G710 PolarHBondContact OG1-N 3.45Å; T708-I711 VanDerWaalsContact O-CB 3.3Å; T708-I711 WeakPolarHBondContact O-CB 3.48Å; T708-I711 WeakPolarHBondContact O-CG1 3.27Å; T708-I711 PolarHBondContact O-N 3.09Å; T708-I711 VanDerWaalsContact O-N 3.09Å; T708-M713 HydrophobicContact CG2-CE 4.22Å |
| 709 | N | 86 | Confident | 87.5 | Confident | 119 Ų | 119 | 76 Ų | 76 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 26.8 | -165 | -64.6 | -85.5 | 0 | 0 | 0 | 113.7 | W705 I711 | W705-N709 WeakPolarHBondContact O-CA 3.37Å; W705-N709 PolarHBondContact O-N 3.39Å; N709-I711 VanDerWaalsContact C-N 3.31Å; N709-I711 PolarHBondContact O-N 3.35Å |
| 710 | G | 84.3 | Confident | 87.7 | Confident | 7 Ų | 7 | 75.5 Ų | 75.5 | 7% | 0.072 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 16.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | R672 T708 | R672-G710 PolarHBondContact NH1-O 2.95Å; T708-G710 PolarHBondContact O-N 3.43Å; T708-G710 PolarHBondContact OG1-N 3.45Å |
| 711 | I | 88.5 | Confident | 88.1 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 43% | 0.431 | 40% | 0.404 | S | S | . | . | trans | -89.2 | 121.6 | 178.5 | -56.5 | 173.3 | 0 | 0 | 0 | 109.6 | T708 N709 M713 V716 | T708-I711 VanDerWaalsContact O-CB 3.3Å; T708-I711 WeakPolarHBondContact O-CB 3.48Å; T708-I711 WeakPolarHBondContact O-CG1 3.27Å; T708-I711 PolarHBondContact O-N 3.09Å; T708-I711 VanDerWaalsContact O-N 3.09Å; N709-I711 VanDerWaalsContact C-N 3.31Å; N709-I711 PolarHBondContact O-N 3.35Å; I711-M713 HydrophobicContact CB-CE 4.41Å; I711-M713 HydrophobicContact CG2-SD 4.38Å; I711-M713 PolarHBondContact O-N 3.43Å; I711-V716 HydrophobicContact CG2-CG2 3.65Å | ||
| 712 | D | 85.3 | Confident | 88 | Confident | 80 Ų | 80 | 78.9 Ų | 78.9 | 43% | 0.428 | 43% | 0.429 | S | S | . | . | trans | -78.8 | 107.3 | 168.2 | 174.5 | 11.2 | 0 | 0 | 0 | 109.6 | N714 A715 V716 | D712-N714 PolarHBondContact O-N 2.91Å; D712-N714 WeakPolarHBondContact OD1-CB 3.31Å; D712-N714 PolarHBondContact OD1-N 3.34Å; D712-A715 HydrophobicContact CB-CB 3.98Å; D712-A715 PolarHBondContact O-N 3.28Å; D712-A715 PolarHBondContact OD1-N 2.82Å; D712-A715 VanDerWaalsContact OD2-CB 3.29Å; D712-A715 WeakPolarHBondContact OD2-CB 3.31Å; D712-A715 PolarHBondContact OD2-N 3.04Å; D712-V716 WeakPolarHBondContact O-CG2 3.39Å; D712-V716 PolarHBondContact O-N 3.48Å | ||
| 713 | M | 84.6 | Confident | 88 | Confident | 92 Ų | 92 | 79.6 Ų | 79.6 | 45% | 0.453 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.8 | -32.4 | 179.5 | -55.5 | -59.5 | 167.7 | 0 | 0 | 112.3 | T708 I711 V716 L717 | T708-M713 HydrophobicContact CG2-CE 4.22Å; I711-M713 HydrophobicContact CB-CE 4.41Å; I711-M713 HydrophobicContact CG2-SD 4.38Å; I711-M713 PolarHBondContact O-N 3.43Å; M713-V716 PolarHBondContact O-N 2.9Å; M713-L717 WeakPolarHBondContact O-CB 3.28Å; M713-L717 VanDerWaalsContact O-CG 3.29Å; M713-L717 WeakPolarHBondContact O-CG 3.33Å; M713-L717 PolarHBondContact O-N 2.98Å |
| 714 | N | 86.5 | Confident | 88.3 | Confident | 108 Ų | 108 | 81.4 Ų | 81.4 | 58% | 0.578 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -75.1 | -39.4 | -179.1 | -59.8 | -61.2 | 0 | 0 | 0 | 111.6 | D712 V716 L717 K718 | D712-N714 PolarHBondContact O-N 2.91Å; D712-N714 WeakPolarHBondContact OD1-CB 3.31Å; D712-N714 PolarHBondContact OD1-N 3.34Å; N714-V716 VanDerWaalsContact C-N 3.32Å; N714-L717 PolarHBondContact O-N 2.91Å; N714-K718 WeakPolarHBondContact O-CB 3.35Å; N714-K718 VanDerWaalsContact O-CG 3.3Å; N714-K718 WeakPolarHBondContact O-CG 3.36Å; N714-K718 PolarHBondContact O-N 3.36Å |
| 715 | A | 89.2 | Confident | 88.7 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 46% | 0.463 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D712 G719 | D712-A715 HydrophobicContact CB-CB 3.98Å; D712-A715 PolarHBondContact O-N 3.28Å; D712-A715 PolarHBondContact OD1-N 2.82Å; D712-A715 VanDerWaalsContact OD2-CB 3.29Å; D712-A715 WeakPolarHBondContact OD2-CB 3.31Å; D712-A715 PolarHBondContact OD2-N 3.04Å; A715-G719 PolarHBondContact O-N 2.9Å |
| 716 | V | 91.5 | Very high | 88.8 | Confident | 72 Ų | 72 | 80.2 Ų | 80.2 | 44% | 0.436 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 174.6 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | I711 D712 M713 N714 K718 G719 F720 | I711-V716 HydrophobicContact CG2-CG2 3.65Å; D712-V716 WeakPolarHBondContact O-CG2 3.39Å; D712-V716 PolarHBondContact O-N 3.48Å; M713-V716 PolarHBondContact O-N 2.9Å; N714-V716 VanDerWaalsContact C-N 3.32Å; V716-K718 VanDerWaalsContact C-N 3.35Å; V716-K718 PolarHBondContact O-N 2.92Å; V716-G719 PolarHBondContact O-N 3.49Å; V716-G719 VanDerWaalsContact O-N 3.08Å; V716-F720 HydrophobicContact CG1-CE2 3.94Å; V716-F720 VanDerWaalsContact O-CD2 3.26Å; V716-F720 WeakPolarHBondContact O-CD2 3.32Å; V716-F720 WeakPolarHBondContact O-CE2 3.26Å |
| 717 | L | 90.4 | Very high | 89 | Confident | 26 Ų | 26 | 79.4 Ų | 79.4 | 14% | 0.136 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 177.8 | -76.3 | 167.6 | 0 | 0 | 0 | 112.1 | M713 N714 G719 F720 Q725 I728 | M713-L717 WeakPolarHBondContact O-CB 3.28Å; M713-L717 VanDerWaalsContact O-CG 3.29Å; M713-L717 WeakPolarHBondContact O-CG 3.33Å; M713-L717 PolarHBondContact O-N 2.98Å; N714-L717 PolarHBondContact O-N 2.91Å; L717-G719 PolarHBondContact O-N 3.28Å; L717-G719 VanDerWaalsContact O-N 3.09Å; L717-F720 PolarHBondContact O-N 3.42Å; L717-Q725 HydrophobicContact CD2-CB 4.5Å; L717-Q725 VanDerWaalsContact O-CD 3.27Å; L717-Q725 VanDerWaalsContact O-CG 3.24Å; L717-Q725 WeakPolarHBondContact O-CG 3.43Å; L717-Q725 PolarHBondContact O-NE2 3.49Å; L717-I728 HydrophobicContact CD2-CB 4.13Å; L717-I728 HydrophobicContact CD2-CD1 4.43Å; L717-I728 HydrophobicContact CD2-CG2 3.74Å |
| 718 | K | 90.4 | Very high | 89.5 | Confident | 170 Ų | 170 | 76.4 Ų | 76.4 | 74% | 0.739 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.5 | 175.7 | -75.4 | 174.4 | 179.1 | -178.1 | 0 | 114.5 | N714 V716 F720 | N714-K718 WeakPolarHBondContact O-CB 3.35Å; N714-K718 VanDerWaalsContact O-CG 3.3Å; N714-K718 WeakPolarHBondContact O-CG 3.36Å; N714-K718 PolarHBondContact O-N 3.36Å; V716-K718 VanDerWaalsContact C-N 3.35Å; V716-K718 PolarHBondContact O-N 2.92Å; K718-F720 VanDerWaalsContact C-N 3.28Å |
| 719 | G | 91.1 | Very high | 89.7 | Confident | 66 Ų | 66 | 75.2 Ų | 75.2 | 68% | 0.68 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A715 V716 L717 | A715-G719 PolarHBondContact O-N 2.9Å; V716-G719 PolarHBondContact O-N 3.49Å; V716-G719 VanDerWaalsContact O-N 3.08Å; L717-G719 PolarHBondContact O-N 3.28Å; L717-G719 VanDerWaalsContact O-N 3.09Å |
| 720 | F | 92.4 | Very high | 90 | Very high | 88 Ų | 88 | 71.9 Ų | 71.9 | 39% | 0.386 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -110.4 | 152.6 | -179.2 | -62.4 | -73.2 | 0 | 0 | 0 | 112.1 | V716 L717 K718 L724 Q725 I728 | V716-F720 HydrophobicContact CG1-CE2 3.94Å; V716-F720 VanDerWaalsContact O-CD2 3.26Å; V716-F720 WeakPolarHBondContact O-CD2 3.32Å; V716-F720 WeakPolarHBondContact O-CE2 3.26Å; L717-F720 PolarHBondContact O-N 3.42Å; K718-F720 VanDerWaalsContact C-N 3.28Å; F720-L724 HydrophobicContact CB-CB 4.19Å; F720-L724 HydrophobicContact CD1-CD1 4.44Å; F720-Q725 HydrophobicContact CB-CG 4.1Å; F720-Q725 PolarHBondContact O-NE2 3.25Å; F720-I728 HydrophobicContact CD2-CD1 3.81Å; F720-I728 HydrophobicContact CE2-CD1 4.05Å; F720-I728 HydrophobicContact CG-CD1 4.17Å |
| 721 | P | 93.6 | Very high | 90.3 | Very high | 84 Ų | 84 | 76.7 Ų | 76.7 | 55% | 0.545 | 42% | 0.424 | S | S | . | . | trans | -66.5 | 151.8 | 169.1 | 29.6 | -36 | 0 | 0 | 0 | 111.3 | C723 L724 Q725 | P721-C723 PolarHBondContact O-N 3.47Å; P721-C723 VanDerWaalsContact O-N 3.08Å; P721-L724 HydrophobicContact CG-CB 4.29Å; P721-L724 HydrophobicContact CG-CD1 3.99Å; P721-L724 HydrophobicContact CG-CG 4.14Å; P721-L724 WeakPolarHBondContact O-CA 3.27Å; P721-L724 PolarHBondContact O-N 3.44Å; P721-Q725 PolarHBondContact O-N 3.42Å | ||
| 722 | E | 88.9 | Confident | 90.3 | Very high | 152 Ų | 152 | 77.2 Ų | 77.2 | 71% | 0.71 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -52 | -37.1 | -173 | -62.3 | -179.7 | 166.3 | 0 | 0 | 114.3 | L724 Q725 A726 | E722-L724 VanDerWaalsContact C-N 3.3Å; E722-L724 PolarHBondContact O-N 2.91Å; E722-Q725 PolarHBondContact O-N 3.1Å; E722-A726 WeakPolarHBondContact O-CB 3.32Å; E722-A726 PolarHBondContact O-N 3.05Å |
| 723 | C | 89.4 | Confident | 90.5 | Very high | 103 Ų | 103 | 73.6 Ų | 73.6 | 70% | 0.696 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.6 | -38.2 | 176.5 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | P721 D727 | P721-C723 PolarHBondContact O-N 3.47Å; P721-C723 VanDerWaalsContact O-N 3.08Å; C723-D727 PolarHBondContact O-N 3.45Å |
| 724 | L | 91.8 | Very high | 90.7 | Very high | 90 Ų | 90 | 75.4 Ų | 75.4 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -80.5 | -35.6 | 175.5 | -69.4 | -179 | 0 | 0 | 0 | 111.6 | F720 P721 E722 A726 D727 I728 | F720-L724 HydrophobicContact CB-CB 4.19Å; F720-L724 HydrophobicContact CD1-CD1 4.44Å; P721-L724 HydrophobicContact CG-CB 4.29Å; P721-L724 HydrophobicContact CG-CD1 3.99Å; P721-L724 HydrophobicContact CG-CG 4.14Å; P721-L724 WeakPolarHBondContact O-CA 3.27Å; P721-L724 PolarHBondContact O-N 3.44Å; E722-L724 VanDerWaalsContact C-N 3.3Å; E722-L724 PolarHBondContact O-N 2.91Å; L724-A726 VanDerWaalsContact C-N 3.29Å; L724-A726 PolarHBondContact O-N 2.99Å; L724-D727 PolarHBondContact O-N 2.99Å; L724-I728 WeakPolarHBondContact O-CB 3.49Å; L724-I728 WeakPolarHBondContact O-CD1 3.2Å; L724-I728 WeakPolarHBondContact O-CG1 3.19Å; L724-I728 PolarHBondContact O-N 2.98Å |
| 725 | Q | 92.7 | Very high | 90.6 | Very high | 36 Ų | 36 | 72.1 Ų | 72.1 | 17% | 0.168 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.9 | -46.9 | 170.9 | -63.6 | -175.2 | 33.6 | 0 | 0 | 110.5 | L717 F720 P721 E722 D727 I728 C729 M756 | L717-Q725 HydrophobicContact CD2-CB 4.5Å; L717-Q725 VanDerWaalsContact O-CD 3.27Å; L717-Q725 VanDerWaalsContact O-CG 3.24Å; L717-Q725 WeakPolarHBondContact O-CG 3.43Å; L717-Q725 PolarHBondContact O-NE2 3.49Å; F720-Q725 HydrophobicContact CB-CG 4.1Å; F720-Q725 PolarHBondContact O-NE2 3.25Å; P721-Q725 PolarHBondContact O-N 3.42Å; E722-Q725 PolarHBondContact O-N 3.1Å; Q725-D727 PolarHBondContact O-N 2.88Å; Q725-I728 PolarHBondContact O-N 3.48Å; Q725-C729 WeakPolarHBondContact O-CB 3.46Å; Q725-C729 PolarHBondContact O-N 3.22Å; Q725-C729 PolarHBondContact O-SG 3.49Å; Q725-M756 VanDerWaalsContact C-SD 3.52Å; Q725-M756 HydrophobicContact CB-CE 3.77Å; Q725-M756 HydrophobicContact CB-SD 3.68Å |
| 726 | A | 91.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 69.8 Ų | 69.8 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.3 | -39.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E722 L724 L730 R752 M756 | E722-A726 WeakPolarHBondContact O-CB 3.32Å; E722-A726 PolarHBondContact O-N 3.05Å; L724-A726 VanDerWaalsContact C-N 3.29Å; L724-A726 PolarHBondContact O-N 2.99Å; A726-L730 WeakPolarHBondContact O-CB 3.26Å; A726-L730 PolarHBondContact O-N 3.32Å; A726-R752 HydrophobicContact CB-CB 4.11Å; A726-R752 HydrophobicContact CB-CG 4.11Å; A726-M756 VanDerWaalsContact CA-SD 3.53Å; A726-M756 HydrophobicContact CB-CG 3.89Å; A726-M756 HydrophobicContact CB-SD 4.09Å; A726-M756 PolarHBondContact N-SD 2.94Å; A726-M756 VanDerWaalsContact N-SD 3.4Å |
| 727 | D | 92.2 | Very high | 90.4 | Very high | 64 Ų | 64 | 66.9 Ų | 66.9 | 34% | 0.342 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -74.8 | -31.8 | 176.5 | -79.3 | -17.9 | 0 | 0 | 0 | 113.1 | C723 L724 Q725 H731 R752 | C723-D727 PolarHBondContact O-N 3.45Å; L724-D727 PolarHBondContact O-N 2.99Å; Q725-D727 PolarHBondContact O-N 2.88Å; D727-H731 PolarHBondContact O-N 2.91Å; D727-R752 IonicContact OD1-CZ 3.66Å; D727-R752 IonicContact OD1-NE 3.88Å; D727-R752 PolarHBondContact OD1-NE 2.9Å; D727-R752 IonicContact OD1-NH2 3.88Å; D727-R752 PolarHBondContact OD1-NH2 3.34Å; D727-R752 IonicContact OD2-CZ 2.81Å; D727-R752 IonicContact OD2-NH2 2.68Å; D727-R752 PolarHBondContact OD2-NH2 3.38Å |
| 728 | I | 93 | Very high | 90.2 | Very high | 60 Ų | 60 | 71.6 Ų | 71.6 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.2 | -50.6 | 170.3 | -67.5 | 162.5 | 0 | 0 | 0 | 109.9 | L717 F720 L724 Q725 L730 H731 L732 | L717-I728 HydrophobicContact CD2-CB 4.13Å; L717-I728 HydrophobicContact CD2-CD1 4.43Å; L717-I728 HydrophobicContact CD2-CG2 3.74Å; F720-I728 HydrophobicContact CD2-CD1 3.81Å; F720-I728 HydrophobicContact CE2-CD1 4.05Å; F720-I728 HydrophobicContact CG-CD1 4.17Å; L724-I728 WeakPolarHBondContact O-CB 3.49Å; L724-I728 WeakPolarHBondContact O-CD1 3.2Å; L724-I728 WeakPolarHBondContact O-CG1 3.19Å; L724-I728 PolarHBondContact O-N 2.98Å; Q725-I728 PolarHBondContact O-N 3.48Å; I728-L730 VanDerWaalsContact C-N 3.31Å; I728-L730 PolarHBondContact O-N 3.18Å; I728-H731 WeakPolarHBondContact O-CA 3.4Å; I728-H731 WeakPolarHBondContact O-CB 3.45Å; I728-H731 PolarHBondContact O-N 3.39Å; I728-L732 HydrophobicContact CG2-CD1 4.06Å; I728-L732 HydrophobicContact CG2-CG 4.4Å; I728-L732 WeakPolarHBondContact O-CG 3.32Å; I728-L732 PolarHBondContact O-N 3.42Å |
| 729 | C | 91.2 | Very high | 90 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 179 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | Q725 H731 L732 N733 A755 M756 | Q725-C729 WeakPolarHBondContact O-CB 3.46Å; Q725-C729 PolarHBondContact O-N 3.22Å; Q725-C729 PolarHBondContact O-SG 3.49Å; C729-H731 VanDerWaalsContact C-N 3.32Å; C729-L732 PolarHBondContact O-N 3.49Å; C729-N733 WeakPolarHBondContact O-CB 3.41Å; C729-N733 PolarHBondContact O-N 3.22Å; C729-N733 PolarHBondContact O-ND2 3.36Å; C729-A755 HydrophobicContact CB-CB 4.13Å; C729-A755 WeakPolarHBondContact CB-O 3.5Å; C729-M756 HydrophobicContact CB-SD 4.31Å |
| 730 | L | 92 | Very high | 89.7 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 171.6 | 178.8 | 61.1 | 0 | 0 | 0 | 111.7 | A726 I728 R734 L737 L751 R752 A755 | A726-L730 WeakPolarHBondContact O-CB 3.26Å; A726-L730 PolarHBondContact O-N 3.32Å; I728-L730 VanDerWaalsContact C-N 3.31Å; I728-L730 PolarHBondContact O-N 3.18Å; L730-R734 PolarHBondContact O-N 2.97Å; L730-L737 HydrophobicContact CD1-CD1 3.66Å; L730-L751 HydrophobicContact CD1-CB 4.19Å; L730-R752 HydrophobicContact CD2-CG 4.22Å; L730-A755 HydrophobicContact CB-CB 4.28Å |
| 731 | H | 90.8 | Very high | 89.4 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 51% | 0.505 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 173.1 | -172.6 | 96.3 | 0 | 0 | 0 | 112.7 | D727 I728 C729 R734 | D727-H731 PolarHBondContact O-N 2.91Å; I728-H731 WeakPolarHBondContact O-CA 3.4Å; I728-H731 WeakPolarHBondContact O-CB 3.45Å; I728-H731 PolarHBondContact O-N 3.39Å; C729-H731 VanDerWaalsContact C-N 3.32Å; H731-R734 PolarHBondContact NE2-NE 3.44Å; H731-R734 PolarHBondContact NE2-NH2 2.81Å; H731-R734 WeakPolarHBondContact O-CB 3.47Å; H731-R734 WeakPolarHBondContact O-CD 3.49Å; H731-R734 WeakPolarHBondContact O-CG 3.37Å; H731-R734 PolarHBondContact O-N 3.46Å; H731-R734 PolarHBondContact O-NE 2.89Å |
| 732 | L | 88.6 | Confident | 89.1 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 177.9 | -68.6 | 172.1 | 0 | 0 | 0 | 111.4 | I728 C729 R734 | I728-L732 HydrophobicContact CG2-CD1 4.06Å; I728-L732 HydrophobicContact CG2-CG 4.4Å; I728-L732 WeakPolarHBondContact O-CG 3.32Å; I728-L732 PolarHBondContact O-N 3.42Å; C729-L732 PolarHBondContact O-N 3.49Å; L732-R734 VanDerWaalsContact C-N 3.32Å; L732-R734 PolarHBondContact O-N 2.97Å |
| 733 | N | 89.9 | Confident | 89.1 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 9.3 | -178.1 | -63.3 | -60.1 | 0 | 0 | 0 | 114 | C729 S735 L736 L737 A755 H831 | C729-N733 WeakPolarHBondContact O-CB 3.41Å; C729-N733 PolarHBondContact O-N 3.22Å; C729-N733 PolarHBondContact O-ND2 3.36Å; N733-S735 PolarHBondContact O-N 3.33Å; N733-S735 VanDerWaalsContact O-N 3.17Å; N733-L736 PolarHBondContact O-N 2.98Å; N733-L736 VanDerWaalsContact O-N 3.14Å; N733-L737 HydrophobicContact CB-CD1 3.92Å; N733-L737 HydrophobicContact CB-CG 4.36Å; N733-L737 WeakPolarHBondContact O-CG 3.25Å; N733-L737 PolarHBondContact O-N 3.3Å; N733-A755 PolarHBondContact ND2-O 3.48Å; N733-H831 PolarHBondContact OD1-CE1 3.14Å; N733-H831 PolarHBondContact OD1-ND1 3.12Å |
| 734 | R | 87.6 | Confident | 88.9 | Confident | 129 Ų | 129 | 58.2 Ų | 58.2 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -28.1 | -176.7 | 72.7 | -171.1 | 161.2 | 128.5 | -6.8 | 114.3 | L730 H731 L732 Q738 | L730-R734 PolarHBondContact O-N 2.97Å; H731-R734 PolarHBondContact NE2-NE 3.44Å; H731-R734 PolarHBondContact NE2-NH2 2.81Å; H731-R734 WeakPolarHBondContact O-CB 3.47Å; H731-R734 WeakPolarHBondContact O-CD 3.49Å; H731-R734 WeakPolarHBondContact O-CG 3.37Å; H731-R734 PolarHBondContact O-N 3.46Å; H731-R734 PolarHBondContact O-NE 2.89Å; L732-R734 VanDerWaalsContact C-N 3.32Å; L732-R734 PolarHBondContact O-N 2.97Å; R734-Q738 WeakPolarHBondContact O-CB 3.44Å; R734-Q738 VanDerWaalsContact O-CG 3.3Å; R734-Q738 WeakPolarHBondContact O-CG 3.35Å; R734-Q738 PolarHBondContact O-N 3.33Å |
| 735 | S | 84.8 | Confident | 88.4 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.5 | -59.2 | 171.9 | 41.4 | 0 | 0 | 0 | 0 | 110.6 | N733 H739 H831 | N733-S735 PolarHBondContact O-N 3.33Å; N733-S735 VanDerWaalsContact O-N 3.17Å; S735-H739 WeakPolarHBondContact O-CB 3.4Å; S735-H739 PolarHBondContact O-N 3.24Å; S735-H739 PolarHBondContact O-ND1 2.98Å; S735-H831 PolarHBondContact OG-NE2 2.81Å |
| 736 | L | 88.2 | Confident | 88.3 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -51.7 | 180 | 177 | 156.2 | 0 | 0 | 0 | 111.5 | N733 Q738 C740 F743 F758 F781 H831 | N733-L736 PolarHBondContact O-N 2.98Å; N733-L736 VanDerWaalsContact O-N 3.14Å; L736-Q738 VanDerWaalsContact C-N 3.26Å; L736-Q738 PolarHBondContact O-N 3.43Å; L736-C740 WeakPolarHBondContact O-CB 3.47Å; L736-C740 PolarHBondContact O-N 3.18Å; L736-C740 VanDerWaalsContact O-N 3.1Å; L736-F743 HydrophobicContact CD2-CD2 3.65Å; L736-F743 HydrophobicContact CD2-CE1 4.45Å; L736-F743 HydrophobicContact CD2-CE2 3.28Å; L736-F743 HydrophobicContact CD2-CG 4.39Å; L736-F743 HydrophobicContact CD2-CZ 3.73Å; L736-F743 HydrophobicContact CG-CE2 4.05Å; L736-F758 HydrophobicContact CD1-CD1 4.16Å; L736-F758 HydrophobicContact CD1-CE1 3.59Å; L736-F758 HydrophobicContact CD1-CE2 4.32Å; L736-F758 HydrophobicContact CD1-CZ 3.69Å; L736-F758 HydrophobicContact CD2-CD2 4.47Å; L736-F758 HydrophobicContact CD2-CE1 4.41Å; L736-F758 HydrophobicContact CD2-CE2 3.71Å; L736-F758 HydrophobicContact CD2-CZ 3.68Å; L736-F758 HydrophobicContact CG-CZ 4.37Å; L736-F781 HydrophobicContact CD1-CB 3.58Å; L736-F781 HydrophobicContact CD1-CD1 4.06Å; L736-F781 HydrophobicContact CD1-CD2 3.72Å; L736-F781 HydrophobicContact CD1-CE2 4.37Å; L736-F781 HydrophobicContact CD1-CG 3.54Å; L736-F781 HydrophobicContact CG-CB 4.39Å; L736-F781 HydrophobicContact CG-CD1 4.31Å; L736-F781 HydrophobicContact CG-CG 4.27Å; L736-H831 HydrophobicContact CD1-CB 3.52Å |
| 737 | L | 88.7 | Confident | 88.4 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.6 | -16.1 | -169.8 | -62.1 | 168.5 | 0 | 0 | 0 | 114.2 | L730 N733 F743 L751 A755 F758 | L730-L737 HydrophobicContact CD1-CD1 3.66Å; N733-L737 HydrophobicContact CB-CD1 3.92Å; N733-L737 HydrophobicContact CB-CG 4.36Å; N733-L737 WeakPolarHBondContact O-CG 3.25Å; N733-L737 PolarHBondContact O-N 3.3Å; L737-F743 HydrophobicContact CD2-CB 4.18Å; L737-F743 HydrophobicContact CD2-CD1 3.89Å; L737-F743 HydrophobicContact CD2-CD2 4.28Å; L737-F743 HydrophobicContact CD2-CE1 4.39Å; L737-F743 HydrophobicContact CD2-CG 3.83Å; L737-L751 HydrophobicContact CB-CD2 4.31Å; L737-L751 HydrophobicContact CD2-CD2 3.89Å; L737-L751 HydrophobicContact CG-CD2 4.49Å; L737-A755 HydrophobicContact CD1-CB 4.15Å; L737-F758 HydrophobicContact CD2-CE2 4.34Å |
| 738 | Q | 85.8 | Confident | 88.2 | Confident | 125 Ų | 125 | 65 Ų | 65 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -102.7 | -34.2 | 177.6 | -64.6 | 179.2 | -16.1 | 0 | 0 | 113.8 | R734 L736 R744 | R734-Q738 WeakPolarHBondContact O-CB 3.44Å; R734-Q738 VanDerWaalsContact O-CG 3.3Å; R734-Q738 WeakPolarHBondContact O-CG 3.35Å; R734-Q738 PolarHBondContact O-N 3.33Å; L736-Q738 VanDerWaalsContact C-N 3.26Å; L736-Q738 PolarHBondContact O-N 3.43Å; Q738-R744 PolarHBondContact O-NE 3.01Å; Q738-R744 PolarHBondContact O-NH2 2.68Å; Q738-R744 VanDerWaalsContact O-NH2 3.13Å |
| 739 | H | 85.2 | Confident | 88.1 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 46% | 0.458 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -90 | -38.3 | -174.7 | -63.5 | 85.4 | 0 | 0 | 0 | 112.9 | S735 | S735-H739 WeakPolarHBondContact O-CB 3.4Å; S735-H739 PolarHBondContact O-N 3.24Å; S735-H739 PolarHBondContact O-ND1 2.98Å |
| 740 | C | 84.8 | Confident | 88.2 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 7% | 0.074 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -73.9 | 133.6 | -178 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | L736 P742 F743 | L736-C740 WeakPolarHBondContact O-CB 3.47Å; L736-C740 PolarHBondContact O-N 3.18Å; L736-C740 VanDerWaalsContact O-N 3.1Å; C740-P742 VanDerWaalsContact C-CD 3.48Å; C740-F743 HydrophobicContact CB-CD2 3.88Å; C740-F743 HydrophobicContact CB-CE2 4.06Å |
| 741 | K | 86.3 | Confident | 88.3 | Confident | 113 Ų | 113 | 62.3 Ų | 62.3 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -47.6 | -52 | -180 | -67 | 173.3 | 175.3 | 173.7 | 0 | 114.2 | F743 R744 E857 | K741-F743 VanDerWaalsContact C-N 3.28Å; K741-F743 PolarHBondContact O-N 2.79Å; K741-F743 VanDerWaalsContact O-N 3.16Å; K741-R744 WeakPolarHBondContact O-CB 3.36Å; K741-R744 PolarHBondContact O-N 3.35Å; K741-R744 VanDerWaalsContact O-N 3.12Å; K741-E857 IonicContact NZ-OE1 2.66Å; K741-E857 PolarHBondContact NZ-OE1 3.32Å; K741-E857 IonicContact NZ-OE2 2.66Å; K741-E857 PolarHBondContact NZ-OE2 3.2Å |
| 742 | P | 88 | Confident | 88.4 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -74.6 | -9.6 | -163.4 | 30.5 | -39.1 | 0 | 0 | 0 | 115.8 | C740 F848 F852 S855 L856 | C740-P742 VanDerWaalsContact C-CD 3.48Å; P742-F848 WeakPolarHBondContact O-CE2 3.39Å; P742-F848 VanDerWaalsContact O-CZ 3.32Å; P742-F848 WeakPolarHBondContact O-CZ 3.39Å; P742-F852 HydrophobicContact CB-CD2 3.71Å; P742-F852 HydrophobicContact CB-CE2 4Å; P742-F852 HydrophobicContact CB-CG 4.49Å; P742-F852 HydrophobicContact CG-CD2 4.39Å; P742-F852 HydrophobicContact CG-CE2 4.18Å; P742-S855 VanDerWaalsContact CA-OG 3.28Å; P742-S855 WeakPolarHBondContact CA-OG 3.37Å; P742-S855 WeakPolarHBondContact CB-OG 3.3Å; P742-L856 HydrophobicContact CB-CB 4.29Å; P742-L856 HydrophobicContact CG-CB 4.41Å; P742-L856 HydrophobicContact CG-CD1 3.87Å |
| 743 | F | 89.9 | Confident | 88.6 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 2% | 0.022 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -93.2 | -4.2 | 174.7 | -51.9 | -70.4 | 0 | 0 | 0 | 113 | L736 L737 C740 K741 A746 L751 L754 F758 F781 F848 F852 | L736-F743 HydrophobicContact CD2-CD2 3.65Å; L736-F743 HydrophobicContact CD2-CE1 4.45Å; L736-F743 HydrophobicContact CD2-CE2 3.28Å; L736-F743 HydrophobicContact CD2-CG 4.39Å; L736-F743 HydrophobicContact CD2-CZ 3.73Å; L736-F743 HydrophobicContact CG-CE2 4.05Å; L737-F743 HydrophobicContact CD2-CB 4.18Å; L737-F743 HydrophobicContact CD2-CD1 3.89Å; L737-F743 HydrophobicContact CD2-CD2 4.28Å; L737-F743 HydrophobicContact CD2-CE1 4.39Å; L737-F743 HydrophobicContact CD2-CG 3.83Å; C740-F743 HydrophobicContact CB-CD2 3.88Å; C740-F743 HydrophobicContact CB-CE2 4.06Å; K741-F743 VanDerWaalsContact C-N 3.28Å; K741-F743 PolarHBondContact O-N 2.79Å; K741-F743 VanDerWaalsContact O-N 3.16Å; F743-A746 VanDerWaalsContact O-CB 3.28Å; F743-A746 WeakPolarHBondContact O-CB 3.31Å; F743-A746 PolarHBondContact O-N 3.28Å; F743-L751 HydrophobicContact CB-CD2 4.15Å; F743-L754 HydrophobicContact CD1-CD1 3.76Å; F743-L754 HydrophobicContact CE1-CD1 3.83Å; F743-F758 HydrophobicContact CE1-CE2 4.4Å; F743-F758 HydrophobicContact CE1-CZ 4.48Å; F743-F758 HydrophobicContact CZ-CE2 4.3Å; F743-F758 AromaticContact CZ-CZ 3.99Å; F743-F758 HydrophobicContact CZ-CZ 3.99Å; F743-F781 HydrophobicContact CE2-CD1 4.43Å; F743-F781 AromaticContact CE2-CE1 3.71Å; F743-F781 HydrophobicContact CE2-CE1 3.71Å; F743-F781 HydrophobicContact CE2-CZ 4.01Å; F743-F781 AromaticContact CZ-CE1 3.88Å; F743-F781 HydrophobicContact CZ-CE1 3.88Å; F743-F781 HydrophobicContact CZ-CE2 4.5Å; F743-F781 AromaticContact CZ-CZ 3.67Å; F743-F781 HydrophobicContact CZ-CZ 3.67Å; F743-F848 HydrophobicContact CD1-CZ 4.21Å; F743-F852 HydrophobicContact CD1-CE2 4.4Å; F743-F852 HydrophobicContact CE1-CD2 4.25Å; F743-F852 AromaticContact CE1-CE2 3.64Å; F743-F852 HydrophobicContact CE1-CE2 3.64Å; F743-F852 AromaticContact CZ-CE2 3.87Å; F743-F852 HydrophobicContact CZ-CE2 3.87Å |
| 744 | R | 84 | Confident | 88.8 | Confident | 152 Ų | 152 | 58.6 Ų | 58.6 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 138 | 171 | -61.8 | -177.1 | 173.5 | -166.6 | -4.1 | 108.9 | Q738 K741 A746 H851 | Q738-R744 PolarHBondContact O-NE 3.01Å; Q738-R744 PolarHBondContact O-NH2 2.68Å; Q738-R744 VanDerWaalsContact O-NH2 3.13Å; K741-R744 WeakPolarHBondContact O-CB 3.36Å; K741-R744 PolarHBondContact O-N 3.35Å; K741-R744 VanDerWaalsContact O-N 3.12Å; R744-A746 VanDerWaalsContact C-N 3.26Å; R744-A746 PolarHBondContact O-N 2.82Å; R744-H851 PolarHBondContact O-CE1 3.27Å |
| 745 | G | 81.6 | Confident | 89 | Confident | 80 Ų | 80 | 52.5 Ų | 52.5 | 83% | 0.825 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -12.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 746 | A | 90.3 | Very high | 89.3 | Confident | 16 Ų | 16 | 54 Ų | 54 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | trans | -60.6 | 141.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F743 R744 L751 F848 | F743-A746 VanDerWaalsContact O-CB 3.28Å; F743-A746 WeakPolarHBondContact O-CB 3.31Å; F743-A746 PolarHBondContact O-N 3.28Å; R744-A746 VanDerWaalsContact C-N 3.26Å; R744-A746 PolarHBondContact O-N 2.82Å; A746-L751 HydrophobicContact CB-CD1 4.36Å; A746-L751 HydrophobicContact CB-CD2 3.69Å; A746-L751 HydrophobicContact CB-CG 3.72Å; A746-F848 HydrophobicContact CB-CD2 3.86Å; A746-F848 HydrophobicContact CB-CE2 3.5Å; A746-F848 HydrophobicContact CB-CZ 4.04Å | ||
| 747 | T | 92.6 | Very high | 89.5 | Confident | 74 Ų | 74 | 56 Ų | 56 | 45% | 0.454 | 29% | 0.291 | S | S | . | . | trans | -68.1 | 153.8 | 173.4 | 72.7 | 0 | 0 | 0 | 0 | 111 | G749 C750 L751 | T747-G749 PolarHBondContact O-N 2.99Å; T747-C750 PolarHBondContact O-N 2.99Å; T747-C750 VanDerWaalsContact O-N 3.13Å; T747-C750 WeakPolarHBondContact OG1-CB 3.43Å; T747-C750 PolarHBondContact OG1-N 2.85Å; T747-L751 WeakPolarHBondContact O-CG 3.28Å; T747-L751 PolarHBondContact O-N 3.2Å | ||
| 748 | K | 89.8 | Confident | 89.7 | Confident | 174 Ų | 174 | 56.1 Ų | 56.1 | 76% | 0.757 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.1 | -26 | 176.9 | -67 | -176.9 | -179.3 | 177.8 | 0 | 113.2 | R752 | K748-R752 WeakPolarHBondContact O-CB 3.34Å; K748-R752 WeakPolarHBondContact O-CG 3.35Å; K748-R752 PolarHBondContact O-N 3.36Å |
| 749 | G | 91.1 | Very high | 89.8 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.2 | -49.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T747 L751 R752 A753 | T747-G749 PolarHBondContact O-N 2.99Å; G749-L751 PolarHBondContact O-N 3Å; G749-R752 PolarHBondContact O-N 3.48Å; G749-A753 PolarHBondContact O-N 2.7Å |
| 750 | C | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 176.7 | -175.8 | 0 | 0 | 0 | 0 | 112 | T747 R752 A753 L754 Y845 F848 | T747-C750 PolarHBondContact O-N 2.99Å; T747-C750 VanDerWaalsContact O-N 3.13Å; T747-C750 WeakPolarHBondContact OG1-CB 3.43Å; T747-C750 PolarHBondContact OG1-N 2.85Å; C750-R752 VanDerWaalsContact C-N 3.29Å; C750-R752 PolarHBondContact O-N 2.93Å; C750-A753 PolarHBondContact O-N 3.33Å; C750-A753 VanDerWaalsContact O-N 3.16Å; C750-L754 WeakPolarHBondContact O-CG 3.47Å; C750-L754 PolarHBondContact O-N 2.96Å; C750-Y845 HydrophobicContact CB-CD1 4.02Å; C750-Y845 HydrophobicContact CB-CD2 3.83Å; C750-Y845 HydrophobicContact CB-CE1 4.08Å; C750-Y845 HydrophobicContact CB-CE2 3.93Å; C750-Y845 HydrophobicContact CB-CG 3.9Å; C750-Y845 PolarHBondContact N-OH 2.9Å; C750-F848 WeakPolarHBondContact SG-CD1 3.34Å |
| 751 | L | 93.2 | Very high | 90.1 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.9 | -38.6 | 176.4 | -70.6 | 173 | 0 | 0 | 0 | 112.9 | L730 L737 F743 A746 T747 G749 A755 | L730-L751 HydrophobicContact CD1-CB 4.19Å; L737-L751 HydrophobicContact CB-CD2 4.31Å; L737-L751 HydrophobicContact CD2-CD2 3.89Å; L737-L751 HydrophobicContact CG-CD2 4.49Å; F743-L751 HydrophobicContact CB-CD2 4.15Å; A746-L751 HydrophobicContact CB-CD1 4.36Å; A746-L751 HydrophobicContact CB-CD2 3.69Å; A746-L751 HydrophobicContact CB-CG 3.72Å; T747-L751 WeakPolarHBondContact O-CG 3.28Å; T747-L751 PolarHBondContact O-N 3.2Å; G749-L751 PolarHBondContact O-N 3Å; L751-A755 WeakPolarHBondContact O-CB 3.34Å; L751-A755 PolarHBondContact O-N 3.19Å |
| 752 | R | 92.6 | Very high | 90.1 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 174.9 | -82.3 | 174.2 | 170 | 169.8 | -8 | 112.3 | A726 D727 L730 K748 G749 C750 A755 M756 | A726-R752 HydrophobicContact CB-CB 4.11Å; A726-R752 HydrophobicContact CB-CG 4.11Å; D727-R752 IonicContact OD1-CZ 3.66Å; D727-R752 IonicContact OD1-NE 3.88Å; D727-R752 PolarHBondContact OD1-NE 2.9Å; D727-R752 IonicContact OD1-NH2 3.88Å; D727-R752 PolarHBondContact OD1-NH2 3.34Å; D727-R752 IonicContact OD2-CZ 2.81Å; D727-R752 IonicContact OD2-NH2 2.68Å; D727-R752 PolarHBondContact OD2-NH2 3.38Å; L730-R752 HydrophobicContact CD2-CG 4.22Å; K748-R752 WeakPolarHBondContact O-CB 3.34Å; K748-R752 WeakPolarHBondContact O-CG 3.35Å; K748-R752 PolarHBondContact O-N 3.36Å; G749-R752 PolarHBondContact O-N 3.48Å; C750-R752 VanDerWaalsContact C-N 3.29Å; C750-R752 PolarHBondContact O-N 2.93Å; R752-A755 PolarHBondContact O-N 2.96Å; R752-M756 WeakPolarHBondContact O-CG 3.26Å; R752-M756 PolarHBondContact O-N 2.95Å |
| 753 | A | 93.3 | Very high | 90.1 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 21% | 0.207 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G749 C750 A755 M756 K757 V841 Y845 | G749-A753 PolarHBondContact O-N 2.7Å; C750-A753 PolarHBondContact O-N 3.33Å; C750-A753 VanDerWaalsContact O-N 3.16Å; A753-A755 PolarHBondContact O-N 3.42Å; A753-M756 PolarHBondContact O-N 3.18Å; A753-K757 PolarHBondContact O-N 3.37Å; A753-V841 HydrophobicContact CB-CG1 3.85Å; A753-V841 HydrophobicContact CB-CG2 4.22Å; A753-Y845 HydrophobicContact CB-CE2 4.23Å |
| 754 | L | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 173.5 | -69.7 | 170.6 | 0 | 0 | 0 | 111.7 | F743 C750 M756 K757 F758 I833 L838 V841 F848 | F743-L754 HydrophobicContact CD1-CD1 3.76Å; F743-L754 HydrophobicContact CE1-CD1 3.83Å; C750-L754 WeakPolarHBondContact O-CG 3.47Å; C750-L754 PolarHBondContact O-N 2.96Å; L754-M756 VanDerWaalsContact C-N 3.27Å; L754-M756 PolarHBondContact O-N 2.94Å; L754-K757 PolarHBondContact O-N 2.99Å; L754-F758 HydrophobicContact CB-CD2 4.36Å; L754-F758 HydrophobicContact CB-CE2 4.22Å; L754-F758 WeakPolarHBondContact O-CD2 3.37Å; L754-F758 PolarHBondContact O-N 3.06Å; L754-I833 HydrophobicContact CD2-CD1 4.25Å; L754-L838 HydrophobicContact CD2-CD1 3.86Å; L754-V841 HydrophobicContact CD2-CB 4.1Å; L754-V841 HydrophobicContact CD2-CG1 3.74Å; L754-V841 HydrophobicContact CG-CG1 3.85Å; L754-F848 HydrophobicContact CD1-CE1 4Å; L754-F848 HydrophobicContact CD1-CZ 4.34Å |
| 755 | A | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -35.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C729 L730 N733 L737 L751 R752 A753 K757 | C729-A755 HydrophobicContact CB-CB 4.13Å; C729-A755 WeakPolarHBondContact CB-O 3.5Å; L730-A755 HydrophobicContact CB-CB 4.28Å; N733-A755 PolarHBondContact ND2-O 3.48Å; L737-A755 HydrophobicContact CD1-CB 4.15Å; L751-A755 WeakPolarHBondContact O-CB 3.34Å; L751-A755 PolarHBondContact O-N 3.19Å; R752-A755 PolarHBondContact O-N 2.96Å; A753-A755 PolarHBondContact O-N 3.42Å; A755-K757 VanDerWaalsContact C-N 3.31Å |
| 756 | M | 91.4 | Very high | 90.5 | Very high | 73 Ų | 73 | 46.9 Ų | 46.9 | 36% | 0.36 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.3 | -27.5 | 175 | -74.7 | -68.8 | -74.5 | 0 | 0 | 113.6 | Q725 A726 C729 R752 A753 L754 | Q725-M756 VanDerWaalsContact C-SD 3.52Å; Q725-M756 HydrophobicContact CB-CE 3.77Å; Q725-M756 HydrophobicContact CB-SD 3.68Å; A726-M756 VanDerWaalsContact CA-SD 3.53Å; A726-M756 HydrophobicContact CB-CG 3.89Å; A726-M756 HydrophobicContact CB-SD 4.09Å; A726-M756 PolarHBondContact N-SD 2.94Å; A726-M756 VanDerWaalsContact N-SD 3.4Å; C729-M756 HydrophobicContact CB-SD 4.31Å; R752-M756 WeakPolarHBondContact O-CG 3.26Å; R752-M756 PolarHBondContact O-N 2.95Å; A753-M756 PolarHBondContact O-N 3.18Å; L754-M756 VanDerWaalsContact C-N 3.27Å; L754-M756 PolarHBondContact O-N 2.94Å |
| 757 | K | 92.1 | Very high | 90.4 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -86.6 | -26.1 | 177.6 | -66.8 | -64.4 | -147.5 | 164.7 | 0 | 113.2 | A753 L754 A755 I833 D837 E840 V841 | A753-K757 PolarHBondContact O-N 3.37Å; L754-K757 PolarHBondContact O-N 2.99Å; A755-K757 VanDerWaalsContact C-N 3.31Å; K757-I833 HydrophobicContact CB-CD1 3.97Å; K757-I833 HydrophobicContact CB-CG1 4.33Å; K757-D837 HydrophobicContact CB-CB 4.14Å; K757-D837 HydrophobicContact CD-CB 3.87Å; K757-D837 WeakPolarHBondContact CD-OD1 3.32Å; K757-D837 WeakPolarHBondContact CE-OD1 3.46Å; K757-D837 HydrophobicContact CG-CB 4.24Å; K757-D837 IonicContact NZ-OD1 2.72Å; K757-D837 PolarHBondContact NZ-OD1 3.49Å; K757-E840 VanDerWaalsContact CE-OE2 3.27Å; K757-E840 WeakPolarHBondContact CE-OE2 3.48Å; K757-E840 IonicContact NZ-OE2 3.95Å; K757-E840 PolarHBondContact NZ-OE2 3Å; K757-V841 HydrophobicContact CG-CG2 4.09Å |
| 758 | F | 91.6 | Very high | 90.4 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | trans | -67.2 | 129.7 | 178.8 | -90.7 | -64.8 | 0 | 0 | 0 | 113 | L736 L737 F743 L754 F781 H831 I833 | L736-F758 HydrophobicContact CD1-CD1 4.16Å; L736-F758 HydrophobicContact CD1-CE1 3.59Å; L736-F758 HydrophobicContact CD1-CE2 4.32Å; L736-F758 HydrophobicContact CD1-CZ 3.69Å; L736-F758 HydrophobicContact CD2-CD2 4.47Å; L736-F758 HydrophobicContact CD2-CE1 4.41Å; L736-F758 HydrophobicContact CD2-CE2 3.71Å; L736-F758 HydrophobicContact CD2-CZ 3.68Å; L736-F758 HydrophobicContact CG-CZ 4.37Å; L737-F758 HydrophobicContact CD2-CE2 4.34Å; F743-F758 HydrophobicContact CE1-CE2 4.4Å; F743-F758 HydrophobicContact CE1-CZ 4.48Å; F743-F758 HydrophobicContact CZ-CE2 4.3Å; F743-F758 AromaticContact CZ-CZ 3.99Å; F743-F758 HydrophobicContact CZ-CZ 3.99Å; L754-F758 HydrophobicContact CB-CD2 4.36Å; L754-F758 HydrophobicContact CB-CE2 4.22Å; L754-F758 WeakPolarHBondContact O-CD2 3.37Å; L754-F758 PolarHBondContact O-N 3.06Å; F758-F781 AromaticContact CE1-CD2 3.73Å; F758-F781 HydrophobicContact CE1-CD2 3.73Å; F758-F781 AromaticContact CE1-CE2 3.62Å; F758-F781 HydrophobicContact CE1-CE2 3.62Å; F758-F781 HydrophobicContact CZ-CD2 4.16Å; F758-F781 AromaticContact CZ-CE2 3.71Å; F758-F781 HydrophobicContact CZ-CE2 3.71Å; F758-F781 HydrophobicContact CZ-CZ 4.27Å; F758-H831 HydrophobicContact CD1-CB 4.03Å; F758-H831 HydrophobicContact CE1-CB 4.35Å; F758-I833 HydrophobicContact CD1-CB 3.88Å; F758-I833 HydrophobicContact CD2-CD1 4.47Å; F758-I833 HydrophobicContact CE1-CB 3.72Å; F758-I833 HydrophobicContact CE1-CD1 4.47Å; F758-I833 HydrophobicContact CE1-CG2 3.91Å; F758-I833 HydrophobicContact CE2-CD1 4.33Å; F758-I833 HydrophobicContact CZ-CB 4.32Å; F758-I833 HydrophobicContact CZ-CD1 4.32Å; F758-I833 HydrophobicContact CZ-CG2 4.31Å | ||
| 759 | K | 89.4 | Confident | 90.5 | Very high | 99 Ų | 99 | 40.8 Ų | 40.8 | 43% | 0.43 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.7 | 176.2 | -62.2 | 168.5 | -164.2 | 169.3 | 0 | 109.4 | K832 H834 D837 | K759-K832 PolarHBondContact N-O 3.34Å; K759-K832 PolarHBondContact O-N 3.02Å; K759-H834 PolarHBondContact NZ-CD2 3.29Å; K759-H834 PolarHBondContact NZ-NE2 2.93Å; K759-D837 IonicContact NZ-OD2 2.9Å |
| 760 | T | 88.1 | Confident | 90.5 | Very high | 75 Ų | 75 | 39.6 Ų | 39.6 | 46% | 0.46 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 128 | 172.2 | 48.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 761 | T | 87.3 | Confident | 90.5 | Very high | 47 Ų | 47 | 43.6 Ų | 43.6 | 29% | 0.288 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 137.5 | 177.3 | 37.4 | 0 | 0 | 0 | 0 | 109.7 | L830 | T761-L830 PolarHBondContact N-O 3.15Å; T761-L830 WeakPolarHBondContact O-CG 3.43Å; T761-L830 PolarHBondContact O-N 3.13Å; T761-L830 WeakPolarHBondContact OG1-CD1 3.41Å; T761-L830 WeakPolarHBondContact OG1-CG 3.45Å; T761-L830 PolarHBondContact OG1-O 3.35Å |
| 762 | H | 86.7 | Confident | 90.5 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 26% | 0.255 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.7 | -178.9 | -60.3 | -79.5 | 0 | 0 | 0 | 108.7 | Y707 C828 D829 | Y707-H762 AromaticContact CE1-CD2 3.87Å; Y707-H762 AromaticContact CE1-CE1 3.49Å; Y707-H762 VanDerWaalsContact CE1-CE1 3.49Å; Y707-H762 WeakPolarHBondContact CE1-CE1 3.4Å; Y707-H762 AromaticContact CE1-NE2 3.3Å; Y707-H762 VanDerWaalsContact CE1-NE2 3.3Å; Y707-H762 WeakPolarHBondContact CE1-NE2 3.4Å; Y707-H762 AromaticContact CZ-CE1 3.42Å; Y707-H762 VanDerWaalsContact CZ-CE1 3.42Å; Y707-H762 AromaticContact CZ-NE2 3.74Å; Y707-H762 PolarHBondContact OH-CE1 3.21Å; Y707-H762 VanDerWaalsContact OH-CE1 3.22Å; H762-C828 WeakPolarHBondContact CA-O 3.34Å; H762-D829 IonicContact CE1-OD1 3.38Å; H762-D829 PolarHBondContact CE1-OD1 2.75Å; H762-D829 IonicContact CG-OD1 2.81Å; H762-D829 IonicContact ND1-OD1 3.07Å; H762-D829 PolarHBondContact ND1-OD1 3.42Å |
| 763 | A | 88.4 | Confident | 90.3 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.033 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110 | L769 A824 Y827 C828 L830 | A763-L769 HydrophobicContact CB-CD1 4.36Å; A763-L769 HydrophobicContact CB-CD2 4.1Å; A763-L769 HydrophobicContact CB-CG 4.34Å; A763-A824 HydrophobicContact CB-CB 3.82Å; A763-Y827 WeakPolarHBondContact O-CA 3.37Å; A763-C828 HydrophobicContact CB-CB 4.37Å; A763-C828 PolarHBondContact N-O 3.22Å; A763-C828 PolarHBondContact O-N 2.94Å; A763-L830 HydrophobicContact CB-CD2 3.97Å |
| 764 | P | 87.5 | Confident | 90.2 | Very high | 19 Ų | 19 | 44 Ų | 44 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | trans | -76 | 165.6 | 170.8 | 34.3 | -35.8 | 0 | 0 | 0 | 111.4 | G766 D767 A824 Y827 | P764-G766 PolarHBondContact O-N 2.96Å; P764-D767 VanDerWaalsContact CD-OD2 3.26Å; P764-D767 WeakPolarHBondContact CD-OD2 3.33Å; P764-D767 HydrophobicContact CG-CB 4.12Å; P764-D767 WeakPolarHBondContact CG-OD2 3.3Å; P764-D767 PolarHBondContact O-N 2.96Å; P764-A824 WeakPolarHBondContact O-CB 3.16Å; P764-Y827 HydrophobicContact CB-CD1 4.09Å; P764-Y827 HydrophobicContact CB-CE1 3.77Å | ||
| 765 | P | 89.5 | Confident | 90.1 | Very high | 61 Ų | 61 | 48.9 Ų | 48.9 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 134.1 | 174.9 | -22.1 | 31 | 0 | 0 | 0 | 112.4 | Y827 | P765-Y827 HydrophobicContact CG-CD2 4.14Å; P765-Y827 HydrophobicContact CG-CE2 4.01Å; P765-Y827 HydrophobicContact CG-CG 4.49Å |
| 766 | G | 87.1 | Confident | 90 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 34% | 0.34 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -13.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | P764 R823 A824 | P764-G766 PolarHBondContact O-N 2.96Å; G766-R823 WeakPolarHBondContact O-CG 3.42Å; G766-A824 PolarHBondContact N-O 2.92Å |
| 767 | D | 87.8 | Confident | 89.9 | Confident | 44 Ų | 44 | 49 Ų | 49 | 24% | 0.235 | 29% | 0.288 | C | S | . | . | trans | -75.8 | 137.2 | 179 | -91.1 | -0.8 | 0 | 0 | 0 | 112.4 | P764 R823 A824 | P764-D767 VanDerWaalsContact CD-OD2 3.26Å; P764-D767 WeakPolarHBondContact CD-OD2 3.33Å; P764-D767 HydrophobicContact CG-CB 4.12Å; P764-D767 WeakPolarHBondContact CG-OD2 3.3Å; P764-D767 PolarHBondContact O-N 2.96Å; D767-R823 WeakPolarHBondContact O-CA 3.47Å; D767-R823 WeakPolarHBondContact O-CG 3.4Å; D767-A824 PolarHBondContact O-N 3.31Å | ||
| 768 | T | 91.2 | Very high | 90 | Very high | 43 Ų | 43 | 47 Ų | 47 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 118.6 | 178.5 | 42.5 | 0 | 0 | 0 | 0 | 110.8 | H771 V822 R823 | T768-H771 VanDerWaalsContact CB-CE1 3.48Å; T768-H771 WeakPolarHBondContact CB-CE1 3.36Å; T768-H771 PolarHBondContact OG1-CE1 3.34Å; T768-H771 PolarHBondContact OG1-NE2 3.4Å; T768-V822 CarbonylContact C-O 3.56Å; T768-V822 VanDerWaalsContact CA-O 3.31Å; T768-V822 WeakPolarHBondContact CA-O 3.38Å; T768-R823 HydrophobicContact CG2-CB 4.13Å; T768-R823 HydrophobicContact CG2-CG 4Å |
| 769 | L | 91.9 | Very high | 90 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -27.9 | -176.5 | -75.5 | 168.3 | 0 | 0 | 0 | 113.9 | A763 I787 F805 V822 L830 | A763-L769 HydrophobicContact CB-CD1 4.36Å; A763-L769 HydrophobicContact CB-CD2 4.1Å; A763-L769 HydrophobicContact CB-CG 4.34Å; L769-I787 HydrophobicContact CD1-CD1 3.91Å; L769-F805 HydrophobicContact CD1-CZ 4.38Å; L769-V822 HydrophobicContact CB-CG1 4.41Å; L769-V822 PolarHBondContact N-O 3.29Å; L769-L830 HydrophobicContact CD1-CD1 3.72Å; L769-L830 HydrophobicContact CD1-CD2 3.98Å; L769-L830 HydrophobicContact CD2-CD1 3.96Å; L769-L830 HydrophobicContact CG-CD1 4.5Å |
| 770 | V | 93 | Very high | 90.2 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 137.2 | -179.2 | -177.9 | 0 | 0 | 0 | 0 | 106.5 | D774 L776 Y780 D821 V822 | V770-D774 HydrophobicContact CG1-CB 3.91Å; V770-L776 HydrophobicContact CG1-CD2 4.36Å; V770-Y780 HydrophobicContact CG2-CE2 4.16Å; V770-D821 CarbonylContact O-C 3.6Å; V770-D821 WeakPolarHBondContact O-CA 3.39Å; V770-V822 HydrophobicContact CB-CB 4.19Å; V770-V822 HydrophobicContact CB-CG2 4.03Å; V770-V822 PolarHBondContact O-N 3.39Å |
| 771 | H | 93.1 | Very high | 90.5 | Very high | 84 Ų | 84 | 39 Ų | 39 | 39% | 0.389 | 24% | 0.239 | S | C | . | . | trans | -102.8 | 160.1 | 172 | -68.3 | -71.9 | 0 | 0 | 0 | 111.6 | T768 G773 D774 S818 D821 | T768-H771 VanDerWaalsContact CB-CE1 3.48Å; T768-H771 WeakPolarHBondContact CB-CE1 3.36Å; T768-H771 PolarHBondContact OG1-CE1 3.34Å; T768-H771 PolarHBondContact OG1-NE2 3.4Å; H771-G773 PolarHBondContact O-N 2.8Å; H771-D774 PolarHBondContact N-OD2 3.49Å; H771-D774 VanDerWaalsContact O-CB 3.29Å; H771-D774 WeakPolarHBondContact O-CB 3.49Å; H771-D774 PolarHBondContact O-N 3.04Å; H771-S818 PolarHBondContact O-OG 2.84Å; H771-D821 WeakPolarHBondContact CA-OD1 3.27Å; H771-D821 IonicContact CE1-OD2 2.75Å; H771-D821 IonicContact CG-OD2 3.55Å; H771-D821 IonicContact ND1-OD1 3.52Å; H771-D821 IonicContact ND1-OD2 3.8Å; H771-D821 PolarHBondContact ND1-OD2 3.4Å | ||
| 772 | A | 91.8 | Very high | 90.8 | Very high | 61 Ų | 61 | 36.9 Ų | 36.9 | 50% | 0.504 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 127.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S818 D821 | A772-S818 WeakPolarHBondContact CA-OG 3.38Å; A772-D821 PolarHBondContact N-OD1 2.91Å |
| 773 | G | 88.4 | Confident | 90.9 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 38% | 0.381 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -14.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | H771 S818 | H771-G773 PolarHBondContact O-N 2.8Å; G773-S818 PolarHBondContact N-O 3.19Å; G773-S818 VanDerWaalsContact N-O 3.16Å; G773-S818 PolarHBondContact N-OG 2.78Å |
| 774 | D | 91.9 | Very high | 91 | Very high | 71 Ų | 71 | 43 Ų | 43 | 38% | 0.38 | 25% | 0.248 | S | C | . | . | trans | -59.1 | 152.1 | 175.6 | -78.8 | -13 | 0 | 0 | 0 | 113 | V770 H771 K817 S818 | V770-D774 HydrophobicContact CG1-CB 3.91Å; H771-D774 PolarHBondContact N-OD2 3.49Å; H771-D774 VanDerWaalsContact O-CB 3.29Å; H771-D774 WeakPolarHBondContact O-CB 3.49Å; H771-D774 PolarHBondContact O-N 3.04Å; D774-K817 CarbonylContact O-C 3.52Å; D774-K817 VanDerWaalsContact O-CA 3.32Å; D774-K817 WeakPolarHBondContact O-CA 3.27Å; D774-S818 PolarHBondContact N-OG 3.47Å; D774-S818 VanDerWaalsContact N-OG 3.08Å; D774-S818 PolarHBondContact O-N 3.34Å; D774-S818 PolarHBondContact O-OG 3.4Å | ||
| 775 | L | 91.3 | Very high | 91.2 | Very high | 102 Ų | 102 | 43.4 Ų | 43.4 | 53% | 0.534 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -79 | 124.7 | 173.8 | -65.2 | 177 | 0 | 0 | 0 | 111.6 | T777 G816 K817 | L775-T777 HydrophobicContact CB-CG2 4.21Å; L775-T777 PolarHBondContact O-N 2.95Å; L775-G816 WeakPolarHBondContact CA-O 3.17Å; L775-K817 HydrophobicContact CD2-CG 4.26Å |
| 776 | L | 90.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | trans | -75.4 | 69 | 179.5 | -62.8 | 175.4 | 0 | 0 | 0 | 111.4 | V770 A778 E807 G816 L862 | V770-L776 HydrophobicContact CG1-CD2 4.36Å; L776-A778 PolarHBondContact O-N 3.36Å; L776-E807 HydrophobicContact CB-CB 4.28Å; L776-E807 HydrophobicContact CD1-CB 3.96Å; L776-G816 PolarHBondContact N-O 3.11Å; L776-L862 HydrophobicContact CD1-CB 3.75Å; L776-L862 HydrophobicContact CD2-CB 3.9Å; L776-L862 HydrophobicContact CD2-CD1 4Å | ||
| 777 | T | 90.4 | Very high | 92 | Very high | 66 Ų | 66 | 40.4 Ų | 40.4 | 41% | 0.405 | 23% | 0.232 | S | C | . | . | trans | -74.9 | -3.2 | -178.8 | 53.1 | 0 | 0 | 0 | 0 | 114.6 | L775 H834 R835 | L775-T777 HydrophobicContact CB-CG2 4.21Å; L775-T777 PolarHBondContact O-N 2.95Å; T777-H834 WeakPolarHBondContact O-CA 3.18Å; T777-R835 PolarHBondContact O-N 2.73Å | ||
| 778 | A | 92.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 156.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L776 Y780 K832 I833 | L776-A778 PolarHBondContact O-N 3.36Å; A778-Y780 HydrophobicContact CB-CE2 4.25Å; A778-K832 HydrophobicContact CB-CD 4.21Å; A778-K832 HydrophobicContact CB-CG 3.79Å; A778-I833 CarbonylContact C-O 3.59Å; A778-I833 VanDerWaalsContact CA-O 3.22Å; A778-I833 WeakPolarHBondContact CA-O 3.19Å; A778-I833 VanDerWaalsContact CB-O 3.26Å; A778-I833 WeakPolarHBondContact CB-O 3.24Å |
| 779 | L | 92.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.6 | 173.8 | -170.5 | 151.5 | 0 | 0 | 0 | 109 | F781 I804 L809 I833 L856 I858 | L779-F781 HydrophobicContact CD2-CD2 3.92Å; L779-F781 HydrophobicContact CD2-CE1 4.15Å; L779-F781 HydrophobicContact CD2-CE2 3.25Å; L779-F781 HydrophobicContact CD2-CZ 3.38Å; L779-I804 HydrophobicContact CD2-CG2 3.65Å; L779-I804 HydrophobicContact CG-CG2 4.35Å; L779-L809 HydrophobicContact CD1-CD1 4.18Å; L779-I833 HydrophobicContact CB-CG2 4.46Å; L779-I833 PolarHBondContact N-O 3.5Å; L779-I833 PolarHBondContact O-N 3.46Å; L779-I833 VanDerWaalsContact O-N 3.12Å; L779-L856 HydrophobicContact CD1-CD2 4.15Å; L779-I858 HydrophobicContact CD1-CD1 3.91Å |
| 780 | Y | 93.7 | Very high | 92.7 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 140.1 | -168.2 | -64.4 | -87.2 | 0 | 0 | 0 | 112 | V770 A778 I804 F805 L830 H831 K832 | V770-Y780 HydrophobicContact CG2-CE2 4.16Å; A778-Y780 HydrophobicContact CB-CE2 4.25Å; Y780-I804 WeakPolarHBondContact O-CA 3.37Å; Y780-F805 HydrophobicContact CD1-CE2 4.4Å; Y780-F805 HydrophobicContact CD1-CZ 4.27Å; Y780-F805 AromaticContact CD2-CD2 3.8Å; Y780-F805 HydrophobicContact CD2-CD2 3.8Å; Y780-F805 AromaticContact CD2-CE2 3.33Å; Y780-F805 HydrophobicContact CD2-CE2 3.33Å; Y780-F805 AromaticContact CD2-CZ 3.98Å; Y780-F805 HydrophobicContact CD2-CZ 3.98Å; Y780-F805 HydrophobicContact CE2-CE2 4.05Å; Y780-F805 HydrophobicContact CG-CD2 4.16Å; Y780-F805 HydrophobicContact CG-CE1 4.38Å; Y780-F805 AromaticContact CG-CE2 3.53Å; Y780-F805 HydrophobicContact CG-CE2 3.53Å; Y780-F805 AromaticContact CG-CZ 3.66Å; Y780-F805 HydrophobicContact CG-CZ 3.66Å; Y780-F805 PolarHBondContact N-O 3.41Å; Y780-F805 PolarHBondContact O-N 3.47Å; Y780-L830 HydrophobicContact CD1-CD1 3.67Å; Y780-L830 HydrophobicContact CE1-CD1 4.01Å; Y780-H831 WeakPolarHBondContact CA-O 3.45Å; Y780-K832 HydrophobicContact CD1-CB 3.96Å; Y780-K832 HydrophobicContact CD1-CD 4.43Å; Y780-K832 HydrophobicContact CD1-CG 3.98Å; Y780-K832 HydrophobicContact CE1-CB 3.95Å; Y780-K832 HydrophobicContact CE1-CD 3.58Å; Y780-K832 HydrophobicContact CE1-CG 3.61Å; Y780-K832 WeakPolarHBondContact OH-CE 3.25Å; Y780-K832 PolarHBondContact OH-NZ 3.02Å |
| 781 | F | 93.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.6 | 178.2 | -59.1 | -102.4 | 0 | 0 | 0 | 109.6 | L736 F743 F758 L779 I804 L830 H831 I833 L856 | L736-F781 HydrophobicContact CD1-CB 3.58Å; L736-F781 HydrophobicContact CD1-CD1 4.06Å; L736-F781 HydrophobicContact CD1-CD2 3.72Å; L736-F781 HydrophobicContact CD1-CE2 4.37Å; L736-F781 HydrophobicContact CD1-CG 3.54Å; L736-F781 HydrophobicContact CG-CB 4.39Å; L736-F781 HydrophobicContact CG-CD1 4.31Å; L736-F781 HydrophobicContact CG-CG 4.27Å; F743-F781 HydrophobicContact CE2-CD1 4.43Å; F743-F781 AromaticContact CE2-CE1 3.71Å; F743-F781 HydrophobicContact CE2-CE1 3.71Å; F743-F781 HydrophobicContact CE2-CZ 4.01Å; F743-F781 AromaticContact CZ-CE1 3.88Å; F743-F781 HydrophobicContact CZ-CE1 3.88Å; F743-F781 HydrophobicContact CZ-CE2 4.5Å; F743-F781 AromaticContact CZ-CZ 3.67Å; F743-F781 HydrophobicContact CZ-CZ 3.67Å; F758-F781 AromaticContact CE1-CD2 3.73Å; F758-F781 HydrophobicContact CE1-CD2 3.73Å; F758-F781 AromaticContact CE1-CE2 3.62Å; F758-F781 HydrophobicContact CE1-CE2 3.62Å; F758-F781 HydrophobicContact CZ-CD2 4.16Å; F758-F781 AromaticContact CZ-CE2 3.71Å; F758-F781 HydrophobicContact CZ-CE2 3.71Å; F758-F781 HydrophobicContact CZ-CZ 4.27Å; L779-F781 HydrophobicContact CD2-CD2 3.92Å; L779-F781 HydrophobicContact CD2-CE1 4.15Å; L779-F781 HydrophobicContact CD2-CE2 3.25Å; L779-F781 HydrophobicContact CD2-CZ 3.38Å; F781-I804 HydrophobicContact CD1-CD1 3.77Å; F781-I804 HydrophobicContact CD1-CG1 3.72Å; F781-I804 HydrophobicContact CD1-CG2 4.36Å; F781-I804 HydrophobicContact CE1-CD1 3.67Å; F781-I804 HydrophobicContact CE1-CG1 4.09Å; F781-I804 HydrophobicContact CE1-CG2 4.3Å; F781-L830 WeakPolarHBondContact O-CA 3.3Å; F781-H831 HydrophobicContact CB-CB 4.46Å; F781-H831 PolarHBondContact N-O 3.48Å; F781-H831 PolarHBondContact O-N 2.89Å; F781-I833 HydrophobicContact CE2-CG2 4.2Å; F781-L856 HydrophobicContact CE1-CD1 4.37Å |
| 782 | I | 93.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118.9 | -178.9 | -55 | 176 | 0 | 0 | 0 | 109.4 | I787 L799 G800 N802 D803 F805 | I782-I787 HydrophobicContact CD1-CB 4.14Å; I782-I787 HydrophobicContact CD1-CD1 3.74Å; I782-I787 HydrophobicContact CD1-CG1 4.05Å; I782-I787 HydrophobicContact CG1-CD1 3.96Å; I782-L799 HydrophobicContact CD1-CB 3.51Å; I782-L799 HydrophobicContact CD1-CD1 4.4Å; I782-G800 VanDerWaalsContact CB-O 3.31Å; I782-G800 WeakPolarHBondContact CB-O 3.14Å; I782-G800 VanDerWaalsContact CG2-O 3.3Å; I782-G800 WeakPolarHBondContact CG2-O 3.44Å; I782-N802 VanDerWaalsContact O-CA 3.27Å; I782-N802 WeakPolarHBondContact O-CA 3.06Å; I782-N802 PolarHBondContact O-N 2.94Å; I782-D803 HydrophobicContact CD1-CB 4.34Å; I782-D803 PolarHBondContact N-O 3.29Å; I782-F805 HydrophobicContact CD1-CD1 4.14Å; I782-F805 HydrophobicContact CD1-CE1 3.99Å; I782-F805 HydrophobicContact CG1-CD1 4.19Å; I782-F805 HydrophobicContact CG1-CE1 3.84Å |
| 783 | S | 89.8 | Confident | 91.9 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -30.6 | 176.1 | 77.8 | 0 | 0 | 0 | 0 | 113.2 | K801 D829 | S783-K801 WeakPolarHBondContact O-CG 3.39Å; S783-D829 WeakPolarHBondContact CA-O 3.46Å; S783-D829 WeakPolarHBondContact CB-O 3.49Å; S783-D829 PolarHBondContact N-O 3.02Å; S783-D829 WeakPolarHBondContact OG-CB 3.41Å; S783-D829 PolarHBondContact OG-O 3.43Å |
| 784 | R | 89.6 | Confident | 92.1 | Very high | 166 Ų | 166 | 45.5 Ų | 45.5 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153 | 157.3 | 177.6 | -63.6 | 179.9 | 168.1 | 176 | -3.6 | 111.1 | C828 D829 | R784-C828 WeakPolarHBondContact O-CA 3.43Å; R784-D829 HydrophobicContact CB-CB 4.07Å; R784-D829 VanDerWaalsContact CD-OD2 3.24Å; R784-D829 WeakPolarHBondContact CD-OD2 3.26Å; R784-D829 PolarHBondContact N-O 2.86Å; R784-D829 IonicContact NH1-OD2 3.86Å; R784-D829 PolarHBondContact O-N 2.97Å; R784-D829 VanDerWaalsContact O-N 3.08Å |
| 785 | G | 92.7 | Very high | 92.2 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 86.5 | -173.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T826 | G785-T826 WeakPolarHBondContact CA-OG1 3.36Š|
| 786 | S | 95.6 | Very high | 92.2 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 22% | 0.217 | 25% | 0.253 | C | S | . | . | trans | -134 | 144.2 | 174.1 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | L799 L825 T826 C828 | S786-L799 CarbonylContact C-O 3.47Å; S786-L799 VanDerWaalsContact CA-O 3.29Å; S786-L799 WeakPolarHBondContact CA-O 3.45Å; S786-L825 WeakPolarHBondContact O-CB 3.38Å; S786-L825 PolarHBondContact O-N 3.32Å; S786-T826 PolarHBondContact N-OG1 3.09Å; S786-C828 PolarHBondContact N-SG 3.32Å; S786-C828 VanDerWaalsContact N-SG 3.37Å; S786-C828 PolarHBondContact O-SG 3Å | ||
| 787 | I | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.4 | -174.6 | -63.3 | -177.5 | 0 | 0 | 0 | 108.3 | L769 I782 I798 L799 F805 V822 R823 C828 L830 | L769-I787 HydrophobicContact CD1-CD1 3.91Å; I782-I787 HydrophobicContact CD1-CB 4.14Å; I782-I787 HydrophobicContact CD1-CD1 3.74Å; I782-I787 HydrophobicContact CD1-CG1 4.05Å; I782-I787 HydrophobicContact CG1-CD1 3.96Å; I787-I798 CarbonylContact O-C 3.5Å; I787-I798 WeakPolarHBondContact O-CA 3.34Å; I787-L799 PolarHBondContact N-O 2.94Å; I787-L799 PolarHBondContact O-N 3.36Å; I787-F805 HydrophobicContact CD1-CE1 3.95Å; I787-F805 HydrophobicContact CD1-CZ 4.25Å; I787-V822 HydrophobicContact CG2-CG1 3.42Å; I787-V822 VanDerWaalsContact CG2-CG1 3.42Å; I787-R823 CarbonylContact C-O 3.45Å; I787-R823 WeakPolarHBondContact CA-O 3.36Å; I787-R823 WeakPolarHBondContact CG2-O 3.33Å; I787-C828 HydrophobicContact CD1-CB 4.4Å; I787-C828 HydrophobicContact CG1-CB 4.32Å; I787-L830 HydrophobicContact CD1-CD2 4.37Å |
| 788 | E | 95.7 | Very high | 92.6 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 12% | 0.121 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 149.4 | 170 | 60.7 | 172.7 | -169.4 | 0 | 0 | 111.2 | L790 V795 R823 L825 | E788-L790 HydrophobicContact CG-CD1 3.9Å; E788-L790 HydrophobicContact CG-CG 4.44Å; E788-V795 HydrophobicContact CB-CG1 4.25Å; E788-V795 WeakPolarHBondContact OE2-CG2 3.25Å; E788-R823 HydrophobicContact CG-CB 3.91Å; E788-R823 WeakPolarHBondContact CG-O 3.26Å; E788-R823 PolarHBondContact N-O 3.02Å; E788-R823 PolarHBondContact O-N 3.31Å; E788-R823 WeakPolarHBondContact OE1-CD 3.42Å; E788-R823 IonicContact OE1-CZ 3.74Å; E788-R823 IonicContact OE1-NE 2.69Å; E788-R823 IonicContact OE1-NH1 3.47Å; E788-R823 PolarHBondContact OE1-NH1 3.06Å; E788-L825 HydrophobicContact CB-CD1 4.16Å; E788-L825 HydrophobicContact CB-CD2 4.2Å; E788-L825 HydrophobicContact CB-CG 4.1Å; E788-L825 HydrophobicContact CG-CD2 3.81Å; E788-L825 HydrophobicContact CG-CG 4.02Å |
| 789 | I | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 120.8 | 171.8 | -57.9 | 179.3 | 0 | 0 | 0 | 108 | V796 A797 L799 D821 V822 F860 L862 | I789-V796 PolarHBondContact O-N 3.48Å; I789-A797 HydrophobicContact CB-CB 4.4Å; I789-A797 HydrophobicContact CD1-CB 4.46Å; I789-A797 PolarHBondContact N-O 2.91Å; I789-A797 PolarHBondContact O-N 3.44Å; I789-L799 HydrophobicContact CD1-CD1 3.74Å; I789-L799 HydrophobicContact CD1-CG 4.2Å; I789-D821 CarbonylContact C-O 3.57Å; I789-D821 WeakPolarHBondContact CA-O 3.38Å; I789-V822 HydrophobicContact CG1-CG1 4.47Å; I789-V822 HydrophobicContact CG1-CG2 4.31Å; I789-F860 HydrophobicContact CD1-CB 3.89Å; I789-F860 HydrophobicContact CD1-CD1 3.48Å; I789-F860 VanDerWaalsContact CD1-CD1 3.48Å; I789-F860 HydrophobicContact CD1-CD2 4.42Å; I789-F860 HydrophobicContact CD1-CE1 4.04Å; I789-F860 HydrophobicContact CD1-CG 3.69Å; I789-F860 HydrophobicContact CG2-CD1 4.37Å; I789-F860 HydrophobicContact CG2-CE1 3.85Å; I789-F860 HydrophobicContact CG2-CZ 4.25Å; I789-L862 HydrophobicContact CD1-CD2 4.12Å; I789-L862 HydrophobicContact CG2-CD2 4.02Å |
| 790 | L | 93.8 | Very high | 92.8 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.2 | -176.7 | -49.2 | 98.6 | 0 | 0 | 0 | 111.4 | E788 V794 V795 G820 D821 R823 | E788-L790 HydrophobicContact CG-CD1 3.9Å; E788-L790 HydrophobicContact CG-CG 4.44Å; L790-V794 CarbonylContact C-O 3.55Å; L790-V794 WeakPolarHBondContact CA-O 3.48Å; L790-V795 HydrophobicContact CD2-CG2 4.15Å; L790-V795 HydrophobicContact CG-CG2 4.35Å; L790-G820 CarbonylContact O-C 3.54Å; L790-G820 WeakPolarHBondContact O-CA 3.31Å; L790-D821 HydrophobicContact CD1-CB 4.38Å; L790-D821 PolarHBondContact N-O 2.99Å; L790-D821 PolarHBondContact O-N 3.3Å; L790-R823 HydrophobicContact CD1-CB 3.92Å; L790-R823 VanDerWaalsContact CD2-NH1 3.34Å |
| 791 | R | 91.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 53 Ų | 53 | 32% | 0.317 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 110.7 | 167.2 | -59.4 | -169.6 | -169.1 | 179.4 | 1.6 | 108.6 | V794 V796 N819 F860 | R791-V794 PolarHBondContact N-O 2.89Å; R791-V794 PolarHBondContact O-N 3.32Å; R791-V796 HydrophobicContact CB-CG2 3.88Å; R791-V796 HydrophobicContact CG-CG2 3.68Å; R791-N819 VanDerWaalsContact CD-O 3.25Å; R791-N819 WeakPolarHBondContact CD-O 3.37Å; R791-N819 WeakPolarHBondContact CD-OD1 3.47Å; R791-N819 VanDerWaalsContact CG-O 3.29Å; R791-N819 WeakPolarHBondContact CG-O 3.36Å; R791-N819 PolarHBondContact NE-OD1 3.35Å; R791-N819 PolarHBondContact NH1-ND2 3.44Å; R791-N819 PolarHBondContact NH1-OD1 2.97Å; R791-F860 VanDerWaalsContact NH2-CZ 3.32Å |
| 792 | G | 84.9 | Confident | 92.5 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 78% | 0.784 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 52.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V794 | G792-V794 PolarHBondContact O-N 3.36Š|
| 793 | D | 85.4 | Confident | 92.4 | Very high | 139 Ų | 139 | 58.1 Ų | 58.1 | 74% | 0.743 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 3.2 | -174.7 | -61.2 | -45.8 | 0 | 0 | 0 | 117 | ||
| 794 | V | 92.7 | Very high | 92.6 | Very high | 97 Ų | 97 | 57.6 Ų | 57.6 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119.7 | 170.3 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | L790 R791 G792 V796 | L790-V794 CarbonylContact C-O 3.55Å; L790-V794 WeakPolarHBondContact CA-O 3.48Å; R791-V794 PolarHBondContact N-O 2.89Å; R791-V794 PolarHBondContact O-N 3.32Å; G792-V794 PolarHBondContact O-N 3.36Å; V794-V796 WeakPolarHBondContact O-CG2 3.3Å; V794-V796 PolarHBondContact O-N 3.09Å |
| 795 | V | 93.5 | Very high | 92.8 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 118.8 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | E788 L790 I798 | E788-V795 HydrophobicContact CB-CG1 4.25Å; E788-V795 WeakPolarHBondContact OE2-CG2 3.25Å; L790-V795 HydrophobicContact CD2-CG2 4.15Å; L790-V795 HydrophobicContact CG-CG2 4.35Å; V795-I798 HydrophobicContact CG1-CG1 4.04Å |
| 796 | V | 92.8 | Very high | 92.7 | Very high | 71 Ų | 71 | 48.3 Ų | 48.3 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -34.8 | -178.1 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | I789 R791 V794 F860 | I789-V796 PolarHBondContact O-N 3.48Å; R791-V796 HydrophobicContact CB-CG2 3.88Å; R791-V796 HydrophobicContact CG-CG2 3.68Å; V794-V796 WeakPolarHBondContact O-CG2 3.3Å; V794-V796 PolarHBondContact O-N 3.09Å; V796-F860 HydrophobicContact CB-CZ 4.45Å; V796-F860 HydrophobicContact CG1-CE2 3.97Å; V796-F860 HydrophobicContact CG1-CZ 3.9Å |
| 797 | A | 93.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 47 Ų | 47 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I789 F860 | I789-A797 HydrophobicContact CB-CB 4.4Å; I789-A797 HydrophobicContact CD1-CB 4.46Å; I789-A797 PolarHBondContact N-O 2.91Å; I789-A797 PolarHBondContact O-N 3.44Å; A797-F860 HydrophobicContact CB-CD2 3.65Å; A797-F860 HydrophobicContact CB-CE2 3.74Å; A797-F860 HydrophobicContact CB-CG 4.42Å |
| 798 | I | 95.3 | Very high | 91.7 | Very high | 111 Ų | 111 | 48.2 Ų | 48.2 | 57% | 0.569 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.8 | 165.2 | -58.5 | 174.7 | 0 | 0 | 0 | 106.2 | I787 V795 L825 | I787-I798 CarbonylContact O-C 3.5Å; I787-I798 WeakPolarHBondContact O-CA 3.34Å; V795-I798 HydrophobicContact CG1-CG1 4.04Å; I798-L825 HydrophobicContact CG2-CD1 4.15Å |
| 799 | L | 95.8 | Very high | 91 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 140.3 | 179.1 | -58.4 | -176.2 | 0 | 0 | 0 | 109.6 | I782 S786 I787 I789 D803 F805 T859 F860 | I782-L799 HydrophobicContact CD1-CB 3.51Å; I782-L799 HydrophobicContact CD1-CD1 4.4Å; S786-L799 CarbonylContact C-O 3.47Å; S786-L799 VanDerWaalsContact CA-O 3.29Å; S786-L799 WeakPolarHBondContact CA-O 3.45Å; I787-L799 PolarHBondContact N-O 2.94Å; I787-L799 PolarHBondContact O-N 3.36Å; I789-L799 HydrophobicContact CD1-CD1 3.74Å; I789-L799 HydrophobicContact CD1-CG 4.2Å; L799-D803 HydrophobicContact CB-CB 3.99Å; L799-D803 HydrophobicContact CD2-CB 4.28Å; L799-F805 HydrophobicContact CD1-CB 3.67Å; L799-F805 HydrophobicContact CD1-CD1 3.69Å; L799-F805 HydrophobicContact CD1-CG 3.97Å; L799-T859 HydrophobicContact CD2-CG2 3.65Å; L799-F860 HydrophobicContact CD1-CB 4.31Å; L799-F860 HydrophobicContact CD2-CB 4.32Å |
| 800 | G | 93.9 | Very high | 90.2 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 23% | 0.227 | 30% | 0.302 | C | S | . | . | trans | -120.8 | -157.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I782 N802 D803 | I782-G800 VanDerWaalsContact CB-O 3.31Å; I782-G800 WeakPolarHBondContact CB-O 3.14Å; I782-G800 VanDerWaalsContact CG2-O 3.3Å; I782-G800 WeakPolarHBondContact CG2-O 3.44Å; G800-N802 PolarHBondContact O-N 3.45Å; G800-D803 PolarHBondContact N-OD2 3.29Å; G800-D803 WeakPolarHBondContact O-CB 3.14Å; G800-D803 PolarHBondContact O-N 3.14Å | ||
| 801 | K | 91.3 | Very high | 89.3 | Confident | 133 Ų | 133 | 58 Ų | 58 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 133.6 | -179.5 | 172.7 | 171.9 | -178.8 | -163.4 | 0 | 112.2 | S783 D803 | S783-K801 WeakPolarHBondContact O-CG 3.39Å; K801-D803 VanDerWaalsContact C-N 3.27Å |
| 802 | N | 89.1 | Confident | 88.6 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 4.3 | -176.4 | -50.1 | -22 | 0 | 0 | 0 | 115.2 | I782 G800 | I782-N802 VanDerWaalsContact O-CA 3.27Å; I782-N802 WeakPolarHBondContact O-CA 3.06Å; I782-N802 PolarHBondContact O-N 2.94Å; G800-N802 PolarHBondContact O-N 3.45Å |
| 803 | D | 92.5 | Very high | 88 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | trans | -74.8 | 156 | 174.5 | -78.4 | -47.6 | 0 | 0 | 0 | 112.9 | I782 L799 G800 K801 T859 | I782-D803 HydrophobicContact CD1-CB 4.34Å; I782-D803 PolarHBondContact N-O 3.29Å; L799-D803 HydrophobicContact CB-CB 3.99Å; L799-D803 HydrophobicContact CD2-CB 4.28Å; G800-D803 PolarHBondContact N-OD2 3.29Å; G800-D803 WeakPolarHBondContact O-CB 3.14Å; G800-D803 PolarHBondContact O-N 3.14Å; K801-D803 VanDerWaalsContact C-N 3.27Å; D803-T859 HydrophobicContact CB-CG2 4.41Å; D803-T859 WeakPolarHBondContact CB-OG1 3.43Å; D803-T859 WeakPolarHBondContact OD1-CB 3.4Å; D803-T859 WeakPolarHBondContact OD1-CG2 3.49Å; D803-T859 PolarHBondContact OD1-OG1 2.88Å | ||
| 804 | I | 93.4 | Very high | 87.8 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.7 | -173 | -54.3 | 179.6 | 0 | 0 | 0 | 109.4 | L779 Y780 F781 L856 I858 T859 F860 | L779-I804 HydrophobicContact CD2-CG2 3.65Å; L779-I804 HydrophobicContact CG-CG2 4.35Å; Y780-I804 WeakPolarHBondContact O-CA 3.37Å; F781-I804 HydrophobicContact CD1-CD1 3.77Å; F781-I804 HydrophobicContact CD1-CG1 3.72Å; F781-I804 HydrophobicContact CD1-CG2 4.36Å; F781-I804 HydrophobicContact CE1-CD1 3.67Å; F781-I804 HydrophobicContact CE1-CG1 4.09Å; F781-I804 HydrophobicContact CE1-CG2 4.3Å; I804-L856 HydrophobicContact CD1-CD1 3.87Å; I804-L856 HydrophobicContact CG2-CD1 4.41Å; I804-I858 HydrophobicContact CG2-CG1 4.27Å; I804-I858 HydrophobicContact CG2-CG2 4.43Å; I804-T859 PolarHBondContact N-OG1 3.28Å; I804-T859 VanDerWaalsContact N-OG1 3.15Å; I804-T859 WeakPolarHBondContact O-CB 3.5Å; I804-T859 PolarHBondContact O-N 3.22Å; I804-F860 PolarHBondContact O-N 2.91Å |
| 805 | F | 93.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 153.3 | 177.2 | 67.7 | -93.1 | 0 | 0 | 0 | 113.3 | L769 Y780 I782 I787 L799 V822 L862 | L769-F805 HydrophobicContact CD1-CZ 4.38Å; Y780-F805 HydrophobicContact CD1-CE2 4.4Å; Y780-F805 HydrophobicContact CD1-CZ 4.27Å; Y780-F805 AromaticContact CD2-CD2 3.8Å; Y780-F805 HydrophobicContact CD2-CD2 3.8Å; Y780-F805 AromaticContact CD2-CE2 3.33Å; Y780-F805 HydrophobicContact CD2-CE2 3.33Å; Y780-F805 AromaticContact CD2-CZ 3.98Å; Y780-F805 HydrophobicContact CD2-CZ 3.98Å; Y780-F805 HydrophobicContact CE2-CE2 4.05Å; Y780-F805 HydrophobicContact CG-CD2 4.16Å; Y780-F805 HydrophobicContact CG-CE1 4.38Å; Y780-F805 AromaticContact CG-CE2 3.53Å; Y780-F805 HydrophobicContact CG-CE2 3.53Å; Y780-F805 AromaticContact CG-CZ 3.66Å; Y780-F805 HydrophobicContact CG-CZ 3.66Å; Y780-F805 PolarHBondContact N-O 3.41Å; Y780-F805 PolarHBondContact O-N 3.47Å; I782-F805 HydrophobicContact CD1-CD1 4.14Å; I782-F805 HydrophobicContact CD1-CE1 3.99Å; I782-F805 HydrophobicContact CG1-CD1 4.19Å; I782-F805 HydrophobicContact CG1-CE1 3.84Å; I787-F805 HydrophobicContact CD1-CE1 3.95Å; I787-F805 HydrophobicContact CD1-CZ 4.25Å; L799-F805 HydrophobicContact CD1-CB 3.67Å; L799-F805 HydrophobicContact CD1-CD1 3.69Å; L799-F805 HydrophobicContact CD1-CG 3.97Å; F805-V822 HydrophobicContact CE2-CG1 3.91Å; F805-V822 HydrophobicContact CZ-CG1 4.04Å; F805-L862 HydrophobicContact CD2-CD1 3.71Å; F805-L862 HydrophobicContact CE2-CD1 4.43Å |
| 806 | G | 90.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.2 | -141.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N861 L862 | G806-N861 PolarHBondContact O-OD1 3.35Å; G806-L862 PolarHBondContact O-N 2.94Å |
| 807 | E | 88.3 | Confident | 86.9 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | trans | -124.1 | 143 | 175.9 | 180 | 172.6 | -145.6 | 0 | 0 | 109.2 | L776 L809 Y812 G816 R863 | L776-E807 HydrophobicContact CB-CB 4.28Å; L776-E807 HydrophobicContact CD1-CB 3.96Å; E807-L809 VanDerWaalsContact O-CD1 3.26Å; E807-L809 WeakPolarHBondContact O-CD1 3.42Å; E807-L809 PolarHBondContact O-N 2.89Å; E807-Y812 HydrophobicContact CG-CD2 3.98Å; E807-Y812 VanDerWaalsContact OE1-CD2 3.25Å; E807-Y812 WeakPolarHBondContact OE1-CD2 3.46Å; E807-G816 PolarHBondContact OE2-N 3.36Å; E807-R863 WeakPolarHBondContact OE1-CD 3.46Å; E807-R863 IonicContact OE1-NE 2.77Å | ||
| 808 | P | 83.3 | Confident | 86.8 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 16% | 0.156 | 30% | 0.298 | C | S | . | . | trans | -74.5 | 104.3 | 170.4 | 28.8 | -33.5 | 0 | 0 | 0 | 110.7 | N810 L811 I858 | P808-N810 PolarHBondContact O-N 3.24Å; P808-N810 VanDerWaalsContact O-N 3.14Å; P808-L811 HydrophobicContact CB-CD1 4.37Å; P808-L811 HydrophobicContact CB-CG 4.41Å; P808-L811 HydrophobicContact CG-CB 4.49Å; P808-L811 HydrophobicContact CG-CD1 3.82Å; P808-L811 HydrophobicContact CG-CG 4.25Å; P808-L811 PolarHBondContact O-N 3.27Å; P808-I858 HydrophobicContact CB-CD1 3.91Å | ||
| 809 | L | 81.5 | Confident | 86.4 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -57.1 | -33.5 | -172.4 | -69.9 | 55.2 | 0 | 0 | 0 | 113.7 | L779 E807 L811 Y812 R835 L838 L839 W853 | L779-L809 HydrophobicContact CD1-CD1 4.18Å; E807-L809 VanDerWaalsContact O-CD1 3.26Å; E807-L809 WeakPolarHBondContact O-CD1 3.42Å; E807-L809 PolarHBondContact O-N 2.89Å; L809-L811 VanDerWaalsContact C-N 3.3Å; L809-L811 PolarHBondContact O-N 3.41Å; L809-Y812 CarbonylContact O-C 3.28Å; L809-Y812 PolarHBondContact O-N 3.1Å; L809-R835 HydrophobicContact CD2-CB 4.37Å; L809-R835 HydrophobicContact CD2-CG 3.9Å; L809-R835 HydrophobicContact CG-CG 4.05Å; L809-R835 PolarHBondContact O-NH2 2.99Å; L809-L838 HydrophobicContact CD2-CB 4.34Å; L809-L838 HydrophobicContact CD2-CD2 3.9Å; L809-L838 HydrophobicContact CD2-CG 4.27Å; L809-L839 HydrophobicContact CB-CD2 4.5Å; L809-L839 HydrophobicContact CD2-CD1 4.46Å; L809-L839 HydrophobicContact CD2-CD2 4.08Å; L809-L839 HydrophobicContact CD2-CG 3.96Å; L809-W853 HydrophobicContact CB-CH2 3.61Å; L809-W853 HydrophobicContact CB-CZ2 3.95Å; L809-W853 HydrophobicContact CD1-CH2 4.13Å; L809-W853 HydrophobicContact CD2-CH2 4.18Å; L809-W853 HydrophobicContact CD2-CZ2 4.46Å; L809-W853 HydrophobicContact CG-CH2 4.17Å |
| 810 | N | 77 | Confident | 86.1 | Confident | 109 Ų | 109 | 53.6 Ų | 53.6 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -64.3 | -30.6 | -176.9 | -164.9 | 15.2 | 0 | 0 | 0 | 113.1 | P808 W853 | P808-N810 PolarHBondContact O-N 3.24Å; P808-N810 VanDerWaalsContact O-N 3.14Å; N810-W853 HydrophobicContact CB-CD2 3.8Å; N810-W853 HydrophobicContact CB-CE3 4.17Å; N810-W853 HydrophobicContact CB-CG 4.07Å; N810-W853 HydrophobicContact CB-CZ2 4.45Å |
| 811 | L | 74.9 | Confident | 86.1 | Confident | 122 Ų | 122 | 54.4 Ų | 54.4 | 64% | 0.639 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -79.7 | -21 | -178.1 | -61.7 | -176 | 0 | 0 | 0 | 113.4 | P808 L809 | P808-L811 HydrophobicContact CB-CD1 4.37Å; P808-L811 HydrophobicContact CB-CG 4.41Å; P808-L811 HydrophobicContact CG-CB 4.49Å; P808-L811 HydrophobicContact CG-CD1 3.82Å; P808-L811 HydrophobicContact CG-CG 4.25Å; P808-L811 PolarHBondContact O-N 3.27Å; L809-L811 VanDerWaalsContact C-N 3.3Å; L809-L811 PolarHBondContact O-N 3.41Å |
| 812 | Y | 76.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 26% | 0.263 | 25% | 0.251 | S | S | . | . | trans | -138.7 | 114.5 | -171.3 | -55.5 | -65.6 | 0 | 0 | 0 | 110.9 | E807 L809 R814 R835 R863 I868 | E807-Y812 HydrophobicContact CG-CD2 3.98Å; E807-Y812 VanDerWaalsContact OE1-CD2 3.25Å; E807-Y812 WeakPolarHBondContact OE1-CD2 3.46Å; L809-Y812 CarbonylContact O-C 3.28Å; L809-Y812 PolarHBondContact O-N 3.1Å; Y812-R814 PolarHBondContact O-N 3.38Å; Y812-R835 PolarHBondContact O-NH1 2.99Å; Y812-R835 PolarHBondContact O-NH2 3.44Å; Y812-R863 HydrophobicContact CE2-CG 4.47Å; Y812-I868 HydrophobicContact CE1-CD1 4.42Å | ||
| 813 | A | 73.7 | Confident | 86.6 | Confident | 98 Ų | 98 | 47.9 Ų | 47.9 | 81% | 0.81 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -69.6 | -13.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 814 | R | 81.2 | Confident | 86.7 | Confident | 210 Ų | 210 | 45.8 Ų | 45.8 | 79% | 0.792 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -121 | 147.2 | 178.4 | -67.2 | -176 | 178.2 | -173.5 | -0.6 | 109.9 | Y812 G816 | Y812-R814 PolarHBondContact O-N 3.38Å; R814-G816 PolarHBondContact O-N 3.47Å |
| 815 | P | 84.1 | Confident | 86.7 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 39% | 0.39 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -64.6 | 131.3 | 177.4 | 27.9 | -34.9 | 0 | 0 | 0 | 110.7 | ||
| 816 | G | 85.9 | Confident | 86.6 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -84 | 165.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L775 L776 E807 R814 R863 | L775-G816 WeakPolarHBondContact CA-O 3.17Å; L776-G816 PolarHBondContact N-O 3.11Å; E807-G816 PolarHBondContact OE2-N 3.36Å; R814-G816 PolarHBondContact O-N 3.47Å; G816-R863 VanDerWaalsContact CA-NE 3.33Å |
| 817 | K | 90.1 | Very high | 86.5 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -83.2 | 142.6 | 165.9 | -68 | -169.8 | 177.2 | -173.2 | 0 | 111.5 | D774 L775 R863 D864 M867 | D774-K817 CarbonylContact O-C 3.52Å; D774-K817 VanDerWaalsContact O-CA 3.32Å; D774-K817 WeakPolarHBondContact O-CA 3.27Å; L775-K817 HydrophobicContact CD2-CG 4.26Å; K817-R863 PolarHBondContact O-NH1 3.22Å; K817-D864 PolarHBondContact O-N 2.95Å; K817-M867 HydrophobicContact CD-SD 4.24Å |
| 818 | S | 91.6 | Very high | 86.6 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -68.5 | 149.6 | 172.1 | 65.2 | 0 | 0 | 0 | 0 | 112.7 | H771 A772 G773 D774 L862 | H771-S818 PolarHBondContact O-OG 2.84Å; A772-S818 WeakPolarHBondContact CA-OG 3.38Å; G773-S818 PolarHBondContact N-O 3.19Å; G773-S818 VanDerWaalsContact N-O 3.16Å; G773-S818 PolarHBondContact N-OG 2.78Å; D774-S818 PolarHBondContact N-OG 3.47Å; D774-S818 VanDerWaalsContact N-OG 3.08Å; D774-S818 PolarHBondContact O-N 3.34Å; D774-S818 PolarHBondContact O-OG 3.4Å; S818-L862 CarbonylContact C-O 3.56Å; S818-L862 VanDerWaalsContact CA-O 3.3Å; S818-L862 WeakPolarHBondContact CA-O 3.37Å |
| 819 | N | 87.1 | Confident | 86.9 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 19% | 0.193 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -99.2 | -2.9 | -177.2 | -156.5 | -38.7 | 0 | 0 | 0 | 112.2 | R791 L862 R863 D864 | R791-N819 VanDerWaalsContact CD-O 3.25Å; R791-N819 WeakPolarHBondContact CD-O 3.37Å; R791-N819 WeakPolarHBondContact CD-OD1 3.47Å; R791-N819 VanDerWaalsContact CG-O 3.29Å; R791-N819 WeakPolarHBondContact CG-O 3.36Å; R791-N819 PolarHBondContact NE-OD1 3.35Å; R791-N819 PolarHBondContact NH1-ND2 3.44Å; R791-N819 PolarHBondContact NH1-OD1 2.97Å; N819-L862 VanDerWaalsContact CB-O 3.22Å; N819-L862 WeakPolarHBondContact CB-O 3.19Å; N819-L862 PolarHBondContact N-O 3.49Å; N819-R863 PolarHBondContact ND2-O 2.78Å; N819-R863 VanDerWaalsContact ND2-O 3.14Å; N819-D864 HydrophobicContact CB-CB 4.16Å; N819-D864 WeakPolarHBondContact ND2-CA 3.42Å |
| 820 | G | 89.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -178.1 | 168.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L790 | L790-G820 CarbonylContact O-C 3.54Å; L790-G820 WeakPolarHBondContact O-CA 3.31Å |
| 821 | D | 93.9 | Very high | 88.2 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 21% | 0.214 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 145.6 | 175.8 | -82.9 | 38.7 | 0 | 0 | 0 | 110.6 | V770 H771 A772 I789 L790 | V770-D821 CarbonylContact O-C 3.6Å; V770-D821 WeakPolarHBondContact O-CA 3.39Å; H771-D821 WeakPolarHBondContact CA-OD1 3.27Å; H771-D821 IonicContact CE1-OD2 2.75Å; H771-D821 IonicContact CG-OD2 3.55Å; H771-D821 IonicContact ND1-OD1 3.52Å; H771-D821 IonicContact ND1-OD2 3.8Å; H771-D821 PolarHBondContact ND1-OD2 3.4Å; A772-D821 PolarHBondContact N-OD1 2.91Å; I789-D821 CarbonylContact C-O 3.57Å; I789-D821 WeakPolarHBondContact CA-O 3.38Å; L790-D821 HydrophobicContact CD1-CB 4.38Å; L790-D821 PolarHBondContact N-O 2.99Å; L790-D821 PolarHBondContact O-N 3.3Å |
| 822 | V | 95.3 | Very high | 89 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 115.4 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | T768 L769 V770 I787 I789 F805 L862 | T768-V822 CarbonylContact C-O 3.56Å; T768-V822 VanDerWaalsContact CA-O 3.31Å; T768-V822 WeakPolarHBondContact CA-O 3.38Å; L769-V822 HydrophobicContact CB-CG1 4.41Å; L769-V822 PolarHBondContact N-O 3.29Å; V770-V822 HydrophobicContact CB-CB 4.19Å; V770-V822 HydrophobicContact CB-CG2 4.03Å; V770-V822 PolarHBondContact O-N 3.39Å; I787-V822 HydrophobicContact CG2-CG1 3.42Å; I787-V822 VanDerWaalsContact CG2-CG1 3.42Å; I789-V822 HydrophobicContact CG1-CG1 4.47Å; I789-V822 HydrophobicContact CG1-CG2 4.31Å; F805-V822 HydrophobicContact CE2-CG1 3.91Å; F805-V822 HydrophobicContact CZ-CG1 4.04Å; V822-L862 HydrophobicContact CG2-CD1 3.83Å; V822-L862 HydrophobicContact CG2-CD2 3.76Å; V822-L862 HydrophobicContact CG2-CG 4.48Å |
| 823 | R | 94.2 | Very high | 89.9 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.5 | -171.5 | -165.4 | -173.4 | -61.9 | 140.8 | -7 | 112 | G766 D767 T768 I787 E788 L790 | G766-R823 WeakPolarHBondContact O-CG 3.42Å; D767-R823 WeakPolarHBondContact O-CA 3.47Å; D767-R823 WeakPolarHBondContact O-CG 3.4Å; T768-R823 HydrophobicContact CG2-CB 4.13Å; T768-R823 HydrophobicContact CG2-CG 4Å; I787-R823 CarbonylContact C-O 3.45Å; I787-R823 WeakPolarHBondContact CA-O 3.36Å; I787-R823 WeakPolarHBondContact CG2-O 3.33Å; E788-R823 HydrophobicContact CG-CB 3.91Å; E788-R823 WeakPolarHBondContact CG-O 3.26Å; E788-R823 PolarHBondContact N-O 3.02Å; E788-R823 PolarHBondContact O-N 3.31Å; E788-R823 WeakPolarHBondContact OE1-CD 3.42Å; E788-R823 IonicContact OE1-CZ 3.74Å; E788-R823 IonicContact OE1-NE 2.69Å; E788-R823 IonicContact OE1-NH1 3.47Å; E788-R823 PolarHBondContact OE1-NH1 3.06Å; L790-R823 HydrophobicContact CD1-CB 3.92Å; L790-R823 VanDerWaalsContact CD2-NH1 3.34Å |
| 824 | A | 94.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 131.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A763 P764 G766 D767 C828 | A763-A824 HydrophobicContact CB-CB 3.82Å; P764-A824 WeakPolarHBondContact O-CB 3.16Å; G766-A824 PolarHBondContact N-O 2.92Å; D767-A824 PolarHBondContact O-N 3.31Å; A824-C828 HydrophobicContact CB-CB 4.35Å |
| 825 | L | 93.1 | Very high | 91.3 | Very high | 72 Ų | 72 | 34.4 Ų | 34.4 | 38% | 0.377 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -88.7 | -28.7 | 174.3 | -68.6 | 173.5 | 0 | 0 | 0 | 112.1 | S786 E788 I798 | S786-L825 WeakPolarHBondContact O-CB 3.38Å; S786-L825 PolarHBondContact O-N 3.32Å; E788-L825 HydrophobicContact CB-CD1 4.16Å; E788-L825 HydrophobicContact CB-CD2 4.2Å; E788-L825 HydrophobicContact CB-CG 4.1Å; E788-L825 HydrophobicContact CG-CD2 3.81Å; E788-L825 HydrophobicContact CG-CG 4.02Å; I798-L825 HydrophobicContact CG2-CD1 4.15Å |
| 826 | T | 92.1 | Very high | 91.7 | Very high | 53 Ų | 53 | 36.2 Ų | 36.2 | 33% | 0.325 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -127.4 | 179.2 | 179.9 | 61.3 | 0 | 0 | 0 | 0 | 109.8 | G785 S786 C828 | G785-T826 WeakPolarHBondContact CA-OG1 3.36Å; S786-T826 PolarHBondContact N-OG1 3.09Å; T826-C828 PolarHBondContact O-N 2.97Å; T826-C828 PolarHBondContact O-SG 2.9Å; T826-C828 PolarHBondContact OG1-SG 3.12Å; T826-C828 VanDerWaalsContact OG1-SG 3.41Å |
| 827 | Y | 88.4 | Confident | 92.1 | Very high | 133 Ų | 133 | 37.4 Ų | 37.4 | 52% | 0.522 | 18% | 0.179 | S | C | . | . | trans | -60.7 | 119.8 | 158 | -64.9 | -79.4 | 0 | 0 | 0 | 109.1 | H703 A763 P764 P765 | H703-Y827 AromaticContact CD2-CD1 3.92Å; H703-Y827 AromaticContact CD2-CE1 3.51Å; H703-Y827 AromaticContact CE1-CD1 3.6Å; H703-Y827 AromaticContact CE1-CE1 3.89Å; H703-Y827 AromaticContact CG-CE1 3.91Å; H703-Y827 AromaticContact NE2-CD1 3.38Å; H703-Y827 WeakPolarHBondContact NE2-CD1 3.28Å; H703-Y827 AromaticContact NE2-CE1 3.5Å; A763-Y827 WeakPolarHBondContact O-CA 3.37Å; P764-Y827 HydrophobicContact CB-CD1 4.09Å; P764-Y827 HydrophobicContact CB-CE1 3.77Å; P765-Y827 HydrophobicContact CG-CD2 4.14Å; P765-Y827 HydrophobicContact CG-CE2 4.01Å; P765-Y827 HydrophobicContact CG-CG 4.49Å | ||
| 828 | C | 90.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.5 | -172.8 | -72.2 | 0 | 0 | 0 | 0 | 111 | H762 A763 R784 S786 I787 A824 T826 L830 | H762-C828 WeakPolarHBondContact CA-O 3.34Å; A763-C828 HydrophobicContact CB-CB 4.37Å; A763-C828 PolarHBondContact N-O 3.22Å; A763-C828 PolarHBondContact O-N 2.94Å; R784-C828 WeakPolarHBondContact O-CA 3.43Å; S786-C828 PolarHBondContact N-SG 3.32Å; S786-C828 VanDerWaalsContact N-SG 3.37Å; S786-C828 PolarHBondContact O-SG 3Å; I787-C828 HydrophobicContact CD1-CB 4.4Å; I787-C828 HydrophobicContact CG1-CB 4.32Å; A824-C828 HydrophobicContact CB-CB 4.35Å; T826-C828 PolarHBondContact O-N 2.97Å; T826-C828 PolarHBondContact O-SG 2.9Å; T826-C828 PolarHBondContact OG1-SG 3.12Å; T826-C828 VanDerWaalsContact OG1-SG 3.41Å; C828-L830 HydrophobicContact CB-CD2 3.99Å |
| 829 | D | 90.1 | Very high | 92.2 | Very high | 33 Ų | 33 | 35 Ų | 35 | 18% | 0.176 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 101.5 | 176.1 | -61.7 | -32.5 | 0 | 0 | 0 | 108.3 | H762 S783 R784 | H762-D829 IonicContact CE1-OD1 3.38Å; H762-D829 PolarHBondContact CE1-OD1 2.75Å; H762-D829 IonicContact CG-OD1 2.81Å; H762-D829 IonicContact ND1-OD1 3.07Å; H762-D829 PolarHBondContact ND1-OD1 3.42Å; S783-D829 WeakPolarHBondContact CA-O 3.46Å; S783-D829 WeakPolarHBondContact CB-O 3.49Å; S783-D829 PolarHBondContact N-O 3.02Å; S783-D829 WeakPolarHBondContact OG-CB 3.41Å; S783-D829 PolarHBondContact OG-O 3.43Å; R784-D829 HydrophobicContact CB-CB 4.07Å; R784-D829 VanDerWaalsContact CD-OD2 3.24Å; R784-D829 WeakPolarHBondContact CD-OD2 3.26Å; R784-D829 PolarHBondContact N-O 2.86Å; R784-D829 IonicContact NH1-OD2 3.86Å; R784-D829 PolarHBondContact O-N 2.97Å; R784-D829 VanDerWaalsContact O-N 3.08Å |
| 830 | L | 91.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.8 | -177.1 | 50.9 | 141.7 | 0 | 0 | 0 | 111.8 | T761 A763 L769 Y780 F781 I787 C828 | T761-L830 PolarHBondContact N-O 3.15Å; T761-L830 WeakPolarHBondContact O-CG 3.43Å; T761-L830 PolarHBondContact O-N 3.13Å; T761-L830 WeakPolarHBondContact OG1-CD1 3.41Å; T761-L830 WeakPolarHBondContact OG1-CG 3.45Å; T761-L830 PolarHBondContact OG1-O 3.35Å; A763-L830 HydrophobicContact CB-CD2 3.97Å; L769-L830 HydrophobicContact CD1-CD1 3.72Å; L769-L830 HydrophobicContact CD1-CD2 3.98Å; L769-L830 HydrophobicContact CD2-CD1 3.96Å; L769-L830 HydrophobicContact CG-CD1 4.5Å; Y780-L830 HydrophobicContact CD1-CD1 3.67Å; Y780-L830 HydrophobicContact CE1-CD1 4.01Å; F781-L830 WeakPolarHBondContact O-CA 3.3Å; I787-L830 HydrophobicContact CD1-CD2 4.37Å; C828-L830 HydrophobicContact CB-CD2 3.99Å |
| 831 | H | 92.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.7 | 171 | -54.6 | -102.4 | 0 | 0 | 0 | 108.8 | N733 S735 L736 F758 Y780 F781 | N733-H831 PolarHBondContact OD1-CE1 3.14Å; N733-H831 PolarHBondContact OD1-ND1 3.12Å; S735-H831 PolarHBondContact OG-NE2 2.81Å; L736-H831 HydrophobicContact CD1-CB 3.52Å; F758-H831 HydrophobicContact CD1-CB 4.03Å; F758-H831 HydrophobicContact CE1-CB 4.35Å; Y780-H831 WeakPolarHBondContact CA-O 3.45Å; F781-H831 HydrophobicContact CB-CB 4.46Å; F781-H831 PolarHBondContact N-O 3.48Å; F781-H831 PolarHBondContact O-N 2.89Å |
| 832 | K | 92.6 | Very high | 92.7 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 19% | 0.187 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.1 | 179.7 | -177.6 | 179.4 | -173.3 | 153.6 | 0 | 109.3 | K759 A778 Y780 | K759-K832 PolarHBondContact N-O 3.34Å; K759-K832 PolarHBondContact O-N 3.02Å; A778-K832 HydrophobicContact CB-CD 4.21Å; A778-K832 HydrophobicContact CB-CG 3.79Å; Y780-K832 HydrophobicContact CD1-CB 3.96Å; Y780-K832 HydrophobicContact CD1-CD 4.43Å; Y780-K832 HydrophobicContact CD1-CG 3.98Å; Y780-K832 HydrophobicContact CE1-CB 3.95Å; Y780-K832 HydrophobicContact CE1-CD 3.58Å; Y780-K832 HydrophobicContact CE1-CG 3.61Å; Y780-K832 WeakPolarHBondContact OH-CE 3.25Å; Y780-K832 PolarHBondContact OH-NZ 3.02Å |
| 833 | I | 94.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.6 | 164.7 | -167.7 | 161 | 0 | 0 | 0 | 108.6 | L754 K757 F758 A778 L779 F781 D837 L838 | L754-I833 HydrophobicContact CD2-CD1 4.25Å; K757-I833 HydrophobicContact CB-CD1 3.97Å; K757-I833 HydrophobicContact CB-CG1 4.33Å; F758-I833 HydrophobicContact CD1-CB 3.88Å; F758-I833 HydrophobicContact CD2-CD1 4.47Å; F758-I833 HydrophobicContact CE1-CB 3.72Å; F758-I833 HydrophobicContact CE1-CD1 4.47Å; F758-I833 HydrophobicContact CE1-CG2 3.91Å; F758-I833 HydrophobicContact CE2-CD1 4.33Å; F758-I833 HydrophobicContact CZ-CB 4.32Å; F758-I833 HydrophobicContact CZ-CD1 4.32Å; F758-I833 HydrophobicContact CZ-CG2 4.31Å; A778-I833 CarbonylContact C-O 3.59Å; A778-I833 VanDerWaalsContact CA-O 3.22Å; A778-I833 WeakPolarHBondContact CA-O 3.19Å; A778-I833 VanDerWaalsContact CB-O 3.26Å; A778-I833 WeakPolarHBondContact CB-O 3.24Å; L779-I833 HydrophobicContact CB-CG2 4.46Å; L779-I833 PolarHBondContact N-O 3.5Å; L779-I833 PolarHBondContact O-N 3.46Å; L779-I833 VanDerWaalsContact O-N 3.12Å; F781-I833 HydrophobicContact CE2-CG2 4.2Å; I833-D837 HydrophobicContact CG1-CB 4.23Å; I833-L838 HydrophobicContact CD1-CB 4.05Å; I833-L838 HydrophobicContact CD1-CD1 4.13Å; I833-L838 HydrophobicContact CG1-CB 4.08Å; I833-L838 HydrophobicContact CG2-CB 4.44Å; I833-L838 HydrophobicContact CG2-CD2 4.24Å |
| 834 | H | 93.9 | Very high | 92.6 | Very high | 49 Ų | 49 | 45 Ų | 45 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 158.6 | 177.6 | -65.1 | -101.5 | 0 | 0 | 0 | 110.7 | K759 T777 D836 D837 L838 | K759-H834 PolarHBondContact NZ-CD2 3.29Å; K759-H834 PolarHBondContact NZ-NE2 2.93Å; T777-H834 WeakPolarHBondContact O-CA 3.18Å; H834-D836 PolarHBondContact O-N 3.27Å; H834-D837 HydrophobicContact CB-CB 4.01Å; H834-D837 WeakPolarHBondContact CB-OD2 3.35Å; H834-D837 IonicContact CD2-OD2 2.71Å; H834-D837 PolarHBondContact CD2-OD2 3Å; H834-D837 VanDerWaalsContact CD2-OD2 3.31Å; H834-D837 IonicContact CG-OD2 3.72Å; H834-L838 WeakPolarHBondContact O-CB 3.43Å; H834-L838 PolarHBondContact O-N 3Å |
| 835 | R | 91.4 | Very high | 92.6 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.7 | -53.2 | 177.3 | 171.9 | 168.2 | -177.9 | 113.1 | 15.3 | 111.4 | T777 L809 Y812 L838 L839 | T777-R835 PolarHBondContact O-N 2.73Å; L809-R835 HydrophobicContact CD2-CB 4.37Å; L809-R835 HydrophobicContact CD2-CG 3.9Å; L809-R835 HydrophobicContact CG-CG 4.05Å; L809-R835 PolarHBondContact O-NH2 2.99Å; Y812-R835 PolarHBondContact O-NH1 2.99Å; Y812-R835 PolarHBondContact O-NH2 3.44Å; R835-L838 PolarHBondContact O-N 2.8Å; R835-L839 HydrophobicContact CG-CD1 3.86Å; R835-L839 WeakPolarHBondContact O-CG 3.32Å; R835-L839 PolarHBondContact O-N 3.23Å |
| 836 | D | 91.7 | Very high | 92.5 | Very high | 99 Ų | 99 | 48.8 Ų | 48.8 | 53% | 0.529 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72.1 | -43.3 | -171.8 | -39 | -65.1 | 0 | 0 | 0 | 110.4 | H834 L838 L839 E840 | H834-D836 PolarHBondContact O-N 3.27Å; D836-L838 PolarHBondContact O-N 2.85Å; D836-L839 PolarHBondContact O-N 2.99Å; D836-L839 VanDerWaalsContact O-N 3.16Å; D836-E840 WeakPolarHBondContact O-CG 3.47Å; D836-E840 PolarHBondContact O-N 2.94Å |
| 837 | D | 95 | Very high | 92.4 | Very high | 28 Ų | 28 | 54.9 Ų | 54.9 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.1 | -34.5 | 171.4 | -79.1 | -31.6 | 0 | 0 | 0 | 113.4 | K757 K759 I833 H834 V841 | K757-D837 HydrophobicContact CB-CB 4.14Å; K757-D837 HydrophobicContact CD-CB 3.87Å; K757-D837 WeakPolarHBondContact CD-OD1 3.32Å; K757-D837 WeakPolarHBondContact CE-OD1 3.46Å; K757-D837 HydrophobicContact CG-CB 4.24Å; K757-D837 IonicContact NZ-OD1 2.72Å; K757-D837 PolarHBondContact NZ-OD1 3.49Å; K759-D837 IonicContact NZ-OD2 2.9Å; I833-D837 HydrophobicContact CG1-CB 4.23Å; H834-D837 HydrophobicContact CB-CB 4.01Å; H834-D837 WeakPolarHBondContact CB-OD2 3.35Å; H834-D837 IonicContact CD2-OD2 2.71Å; H834-D837 PolarHBondContact CD2-OD2 3Å; H834-D837 VanDerWaalsContact CD2-OD2 3.31Å; H834-D837 IonicContact CG-OD2 3.72Å; D837-V841 WeakPolarHBondContact O-CG2 3.31Å |
| 838 | L | 92.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -80.9 | -43.4 | 177.2 | 178 | 56.9 | 0 | 0 | 0 | 111.7 | L754 L809 I833 H834 R835 D836 V841 L842 F852 W853 | L754-L838 HydrophobicContact CD2-CD1 3.86Å; L809-L838 HydrophobicContact CD2-CB 4.34Å; L809-L838 HydrophobicContact CD2-CD2 3.9Å; L809-L838 HydrophobicContact CD2-CG 4.27Å; I833-L838 HydrophobicContact CD1-CB 4.05Å; I833-L838 HydrophobicContact CD1-CD1 4.13Å; I833-L838 HydrophobicContact CG1-CB 4.08Å; I833-L838 HydrophobicContact CG2-CB 4.44Å; I833-L838 HydrophobicContact CG2-CD2 4.24Å; H834-L838 WeakPolarHBondContact O-CB 3.43Å; H834-L838 PolarHBondContact O-N 3Å; R835-L838 PolarHBondContact O-N 2.8Å; D836-L838 PolarHBondContact O-N 2.85Å; L838-V841 PolarHBondContact O-N 2.98Å; L838-L842 HydrophobicContact CD1-CD1 3.96Å; L838-L842 HydrophobicContact CD1-CD2 4.46Å; L838-L842 HydrophobicContact CD1-CG 4.03Å; L838-L842 HydrophobicContact CG-CD1 3.84Å; L838-L842 HydrophobicContact CG-CG 4.35Å; L838-L842 WeakPolarHBondContact O-CG 3.35Å; L838-L842 PolarHBondContact O-N 3.04Å; L838-F852 HydrophobicContact CD1-CE1 4.44Å; L838-F852 HydrophobicContact CD1-CZ 4.3Å; L838-F852 HydrophobicContact CD2-CE1 4.21Å; L838-F852 HydrophobicContact CD2-CZ 4.23Å; L838-W853 HydrophobicContact CD2-CH2 4.49Å |
| 839 | L | 91.8 | Very high | 92.6 | Very high | 48 Ų | 48 | 50.2 Ų | 50.2 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 179.2 | -69.4 | 169.8 | 0 | 0 | 0 | 111.5 | L809 R835 D836 V841 L842 D843 | L809-L839 HydrophobicContact CB-CD2 4.5Å; L809-L839 HydrophobicContact CD2-CD1 4.46Å; L809-L839 HydrophobicContact CD2-CD2 4.08Å; L809-L839 HydrophobicContact CD2-CG 3.96Å; R835-L839 HydrophobicContact CG-CD1 3.86Å; R835-L839 WeakPolarHBondContact O-CG 3.32Å; R835-L839 PolarHBondContact O-N 3.23Å; D836-L839 PolarHBondContact O-N 2.99Å; D836-L839 VanDerWaalsContact O-N 3.16Å; L839-V841 PolarHBondContact O-N 3.07Å; L839-V841 VanDerWaalsContact O-N 3.1Å; L839-L842 PolarHBondContact O-N 2.69Å; L839-D843 WeakPolarHBondContact O-CB 3.26Å; L839-D843 VanDerWaalsContact O-CG 3.24Å; L839-D843 PolarHBondContact O-N 3.48Å |
| 840 | E | 93.9 | Very high | 92.6 | Very high | 102 Ų | 102 | 54.6 Ų | 54.6 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -50.7 | -38.5 | 175 | -75.1 | 175.8 | -167.9 | 0 | 0 | 112.9 | K757 D836 M844 | K757-E840 VanDerWaalsContact CE-OE2 3.27Å; K757-E840 WeakPolarHBondContact CE-OE2 3.48Å; K757-E840 IonicContact NZ-OE2 3.95Å; K757-E840 PolarHBondContact NZ-OE2 3Å; D836-E840 WeakPolarHBondContact O-CG 3.47Å; D836-E840 PolarHBondContact O-N 2.94Å; E840-M844 WeakPolarHBondContact O-CE 3.35Å; E840-M844 WeakPolarHBondContact O-CG 3.19Å; E840-M844 PolarHBondContact O-N 2.89Å |
| 841 | V | 94.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -81.1 | -33.1 | -180 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | A753 L754 K757 D837 L838 L839 M844 Y845 | A753-V841 HydrophobicContact CB-CG1 3.85Å; A753-V841 HydrophobicContact CB-CG2 4.22Å; L754-V841 HydrophobicContact CD2-CB 4.1Å; L754-V841 HydrophobicContact CD2-CG1 3.74Å; L754-V841 HydrophobicContact CG-CG1 3.85Å; K757-V841 HydrophobicContact CG-CG2 4.09Å; D837-V841 WeakPolarHBondContact O-CG2 3.31Å; L838-V841 PolarHBondContact O-N 2.98Å; L839-V841 PolarHBondContact O-N 3.07Å; L839-V841 VanDerWaalsContact O-N 3.1Å; V841-M844 HydrophobicContact CB-CE 4.45Å; V841-M844 HydrophobicContact CG2-CE 4.13Å; V841-M844 PolarHBondContact O-N 2.78Å; V841-Y845 HydrophobicContact CG1-CD2 4.04Å; V841-Y845 HydrophobicContact CG1-CE2 4.34Å; V841-Y845 WeakPolarHBondContact O-CD2 3.46Å; V841-Y845 PolarHBondContact O-N 3.5Å |
| 842 | L | 91.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.8 | -36.1 | 175.3 | -65.6 | 173.7 | 0 | 0 | 0 | 111.8 | L838 L839 M844 Y845 F848 F852 W853 | L838-L842 HydrophobicContact CD1-CD1 3.96Å; L838-L842 HydrophobicContact CD1-CD2 4.46Å; L838-L842 HydrophobicContact CD1-CG 4.03Å; L838-L842 HydrophobicContact CG-CD1 3.84Å; L838-L842 HydrophobicContact CG-CG 4.35Å; L838-L842 WeakPolarHBondContact O-CG 3.35Å; L838-L842 PolarHBondContact O-N 3.04Å; L839-L842 PolarHBondContact O-N 2.69Å; L842-M844 VanDerWaalsContact C-N 3.33Å; L842-M844 PolarHBondContact O-N 3.41Å; L842-Y845 CarbonylContact O-C 3.45Å; L842-Y845 VanDerWaalsContact O-C 3.28Å; L842-Y845 PolarHBondContact O-N 3.32Å; L842-F848 HydrophobicContact CD2-CD1 4.03Å; L842-F848 HydrophobicContact CD2-CE1 4.1Å; L842-F852 HydrophobicContact CD1-CD1 4.07Å; L842-F852 HydrophobicContact CD1-CE1 4.2Å; L842-F852 HydrophobicContact CD2-CB 4.19Å; L842-F852 HydrophobicContact CD2-CD1 3.91Å; L842-F852 HydrophobicContact CD2-CG 4.05Å; L842-W853 HydrophobicContact CD1-CH2 4.44Å; L842-W853 HydrophobicContact CD1-CZ2 3.46Å; L842-W853 VanDerWaalsContact CD1-CZ2 3.46Å |
| 843 | D | 93 | Very high | 92.4 | Very high | 126 Ų | 126 | 58.7 Ų | 58.7 | 67% | 0.674 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.7 | -34 | 175.1 | -66.3 | -21.3 | 0 | 0 | 0 | 112 | L839 Y845 | L839-D843 WeakPolarHBondContact O-CB 3.26Å; L839-D843 VanDerWaalsContact O-CG 3.24Å; L839-D843 PolarHBondContact O-N 3.48Å; D843-Y845 VanDerWaalsContact C-N 3.35Å |
| 844 | M | 93.4 | Very high | 92.1 | Very high | 118 Ų | 118 | 63.8 Ų | 63.8 | 58% | 0.581 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -73.2 | -20.8 | 172.9 | -76.2 | -169.8 | -67.5 | 0 | 0 | 114.3 | E840 V841 L842 | E840-M844 WeakPolarHBondContact O-CE 3.35Å; E840-M844 WeakPolarHBondContact O-CG 3.19Å; E840-M844 PolarHBondContact O-N 2.89Å; V841-M844 HydrophobicContact CB-CE 4.45Å; V841-M844 HydrophobicContact CG2-CE 4.13Å; V841-M844 PolarHBondContact O-N 2.78Å; L842-M844 VanDerWaalsContact C-N 3.33Å; L842-M844 PolarHBondContact O-N 3.41Å |
| 845 | Y | 94.7 | Very high | 91.9 | Very high | 69 Ų | 69 | 62.7 Ų | 62.7 | 27% | 0.271 | 33% | 0.327 | S | S | . | . | trans | -132.2 | 67.8 | -174.6 | -66.1 | -78.2 | 0 | 0 | 0 | 111.3 | C750 A753 V841 L842 D843 E847 F848 S849 | C750-Y845 HydrophobicContact CB-CD1 4.02Å; C750-Y845 HydrophobicContact CB-CD2 3.83Å; C750-Y845 HydrophobicContact CB-CE1 4.08Å; C750-Y845 HydrophobicContact CB-CE2 3.93Å; C750-Y845 HydrophobicContact CB-CG 3.9Å; C750-Y845 PolarHBondContact N-OH 2.9Å; A753-Y845 HydrophobicContact CB-CE2 4.23Å; V841-Y845 HydrophobicContact CG1-CD2 4.04Å; V841-Y845 HydrophobicContact CG1-CE2 4.34Å; V841-Y845 WeakPolarHBondContact O-CD2 3.46Å; V841-Y845 PolarHBondContact O-N 3.5Å; L842-Y845 CarbonylContact O-C 3.45Å; L842-Y845 VanDerWaalsContact O-C 3.28Å; L842-Y845 PolarHBondContact O-N 3.32Å; D843-Y845 VanDerWaalsContact C-N 3.35Å; Y845-E847 PolarHBondContact O-N 2.9Å; Y845-F848 WeakPolarHBondContact O-CA 3.33Å; Y845-F848 WeakPolarHBondContact O-CB 3.44Å; Y845-F848 PolarHBondContact O-N 3.37Å; Y845-S849 PolarHBondContact O-N 3.44Å | ||
| 846 | P | 91.8 | Very high | 91.9 | Very high | 83 Ų | 83 | 62.6 Ų | 62.6 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | -173.8 | 22.7 | -33.9 | 0 | 0 | 0 | 113.8 | F848 S849 | P846-F848 PolarHBondContact O-N 3.39Å; P846-F848 VanDerWaalsContact O-N 3.15Å; P846-S849 PolarHBondContact O-N 3.28Å; P846-S849 PolarHBondContact O-OG 2.87Å |
| 847 | E | 90.1 | Very high | 91.7 | Very high | 182 Ų | 182 | 63.8 Ų | 63.8 | 85% | 0.85 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.8 | -28.3 | 174.4 | -62 | -178.9 | 168.3 | 0 | 0 | 112.9 | Y845 | Y845-E847 PolarHBondContact O-N 2.9Å |
| 848 | F | 92.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 64.2 Ų | 64.2 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -86.6 | -28.3 | 176.3 | 176.7 | -107.4 | 0 | 0 | 0 | 112.3 | P742 F743 A746 C750 L754 L842 Y845 P846 H851 F852 | P742-F848 WeakPolarHBondContact O-CE2 3.39Å; P742-F848 VanDerWaalsContact O-CZ 3.32Å; P742-F848 WeakPolarHBondContact O-CZ 3.39Å; F743-F848 HydrophobicContact CD1-CZ 4.21Å; A746-F848 HydrophobicContact CB-CD2 3.86Å; A746-F848 HydrophobicContact CB-CE2 3.5Å; A746-F848 HydrophobicContact CB-CZ 4.04Å; C750-F848 WeakPolarHBondContact SG-CD1 3.34Å; L754-F848 HydrophobicContact CD1-CE1 4Å; L754-F848 HydrophobicContact CD1-CZ 4.34Å; L842-F848 HydrophobicContact CD2-CD1 4.03Å; L842-F848 HydrophobicContact CD2-CE1 4.1Å; Y845-F848 WeakPolarHBondContact O-CA 3.33Å; Y845-F848 WeakPolarHBondContact O-CB 3.44Å; Y845-F848 PolarHBondContact O-N 3.37Å; P846-F848 PolarHBondContact O-N 3.39Å; P846-F848 VanDerWaalsContact O-N 3.15Å; F848-H851 PolarHBondContact O-N 3.16Å; F848-F852 HydrophobicContact CD1-CB 4.33Å; F848-F852 HydrophobicContact CE1-CB 3.94Å; F848-F852 AromaticContact CE1-CD2 3.89Å; F848-F852 HydrophobicContact CE1-CD2 3.89Å; F848-F852 HydrophobicContact CE1-CG 4.15Å; F848-F852 HydrophobicContact CE2-CB 4.43Å; F848-F852 HydrophobicContact CZ-CB 4Å; F848-F852 AromaticContact CZ-CD2 3.72Å; F848-F852 HydrophobicContact CZ-CD2 3.72Å; F848-F852 HydrophobicContact CZ-CG 4.26Å; F848-F852 WeakPolarHBondContact O-CB 3.46Å; F848-F852 PolarHBondContact O-N 2.88Å |
| 849 | S | 91.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 67.5 Ų | 67.5 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.7 | -40.3 | -173.8 | 70.3 | 0 | 0 | 0 | 0 | 112.9 | Y845 P846 F852 W853 | Y845-S849 PolarHBondContact O-N 3.44Å; P846-S849 PolarHBondContact O-N 3.28Å; P846-S849 PolarHBondContact O-OG 2.87Å; S849-F852 PolarHBondContact O-N 3.17Å; S849-W853 PolarHBondContact O-N 3.46Å |
| 850 | D | 89.4 | Confident | 91.5 | Very high | 125 Ų | 125 | 66.7 Ų | 66.7 | 67% | 0.668 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.9 | -46.4 | 171.9 | -74.6 | -27.3 | 0 | 0 | 0 | 111.5 | F852 S854 | D850-F852 PolarHBondContact O-N 3.5Å; D850-S854 VanDerWaalsContact O-CB 3.27Å; D850-S854 WeakPolarHBondContact O-CB 3.44Å; D850-S854 PolarHBondContact O-N 3.02Å |
| 851 | H | 90.9 | Very high | 91.4 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 40% | 0.403 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.8 | 178.1 | -86.3 | 0 | 0 | 0 | 111.8 | R744 F848 S854 S855 | R744-H851 PolarHBondContact O-CE1 3.27Å; F848-H851 PolarHBondContact O-N 3.16Å; H851-S854 PolarHBondContact O-N 3.06Å; H851-S855 WeakPolarHBondContact O-CB 3.45Å; H851-S855 PolarHBondContact O-N 3.41Å; H851-S855 VanDerWaalsContact O-N 3.11Å; H851-S855 PolarHBondContact O-OG 2.96Å |
| 852 | F | 92 | Very high | 91.1 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60 | -51.8 | 179.3 | 177.9 | -98 | 0 | 0 | 0 | 110.9 | P742 F743 L838 L842 F848 S849 D850 S854 S855 L856 | P742-F852 HydrophobicContact CB-CD2 3.71Å; P742-F852 HydrophobicContact CB-CE2 4Å; P742-F852 HydrophobicContact CB-CG 4.49Å; P742-F852 HydrophobicContact CG-CD2 4.39Å; P742-F852 HydrophobicContact CG-CE2 4.18Å; F743-F852 HydrophobicContact CD1-CE2 4.4Å; F743-F852 HydrophobicContact CE1-CD2 4.25Å; F743-F852 AromaticContact CE1-CE2 3.64Å; F743-F852 HydrophobicContact CE1-CE2 3.64Å; F743-F852 AromaticContact CZ-CE2 3.87Å; F743-F852 HydrophobicContact CZ-CE2 3.87Å; L838-F852 HydrophobicContact CD1-CE1 4.44Å; L838-F852 HydrophobicContact CD1-CZ 4.3Å; L838-F852 HydrophobicContact CD2-CE1 4.21Å; L838-F852 HydrophobicContact CD2-CZ 4.23Å; L842-F852 HydrophobicContact CD1-CD1 4.07Å; L842-F852 HydrophobicContact CD1-CE1 4.2Å; L842-F852 HydrophobicContact CD2-CB 4.19Å; L842-F852 HydrophobicContact CD2-CD1 3.91Å; L842-F852 HydrophobicContact CD2-CG 4.05Å; F848-F852 HydrophobicContact CD1-CB 4.33Å; F848-F852 HydrophobicContact CE1-CB 3.94Å; F848-F852 AromaticContact CE1-CD2 3.89Å; F848-F852 HydrophobicContact CE1-CD2 3.89Å; F848-F852 HydrophobicContact CE1-CG 4.15Å; F848-F852 HydrophobicContact CE2-CB 4.43Å; F848-F852 HydrophobicContact CZ-CB 4Å; F848-F852 AromaticContact CZ-CD2 3.72Å; F848-F852 HydrophobicContact CZ-CD2 3.72Å; F848-F852 HydrophobicContact CZ-CG 4.26Å; F848-F852 WeakPolarHBondContact O-CB 3.46Å; F848-F852 PolarHBondContact O-N 2.88Å; S849-F852 PolarHBondContact O-N 3.17Å; D850-F852 PolarHBondContact O-N 3.5Å; F852-S854 PolarHBondContact O-N 3.37Å; F852-S855 PolarHBondContact O-N 2.99Å; F852-S855 PolarHBondContact O-OG 3.38Å; F852-L856 HydrophobicContact CE1-CD2 3.88Å; F852-L856 HydrophobicContact CE2-CD1 4.47Å; F852-L856 HydrophobicContact CZ-CD1 4.15Å; F852-L856 HydrophobicContact CZ-CD2 4.02Å; F852-L856 WeakPolarHBondContact O-CB 3.42Å; F852-L856 PolarHBondContact O-N 3.16Å |
| 853 | W | 89.3 | Confident | 90.7 | Very high | 49 Ų | 49 | 65.9 Ų | 65.9 | 19% | 0.186 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.1 | -33.9 | 178.2 | -66.1 | 121.8 | 0 | 0 | 0 | 113 | L809 N810 L838 L842 S849 S855 L856 | L809-W853 HydrophobicContact CB-CH2 3.61Å; L809-W853 HydrophobicContact CB-CZ2 3.95Å; L809-W853 HydrophobicContact CD1-CH2 4.13Å; L809-W853 HydrophobicContact CD2-CH2 4.18Å; L809-W853 HydrophobicContact CD2-CZ2 4.46Å; L809-W853 HydrophobicContact CG-CH2 4.17Å; N810-W853 HydrophobicContact CB-CD2 3.8Å; N810-W853 HydrophobicContact CB-CE3 4.17Å; N810-W853 HydrophobicContact CB-CG 4.07Å; N810-W853 HydrophobicContact CB-CZ2 4.45Å; L838-W853 HydrophobicContact CD2-CH2 4.49Å; L842-W853 HydrophobicContact CD1-CH2 4.44Å; L842-W853 HydrophobicContact CD1-CZ2 3.46Å; L842-W853 VanDerWaalsContact CD1-CZ2 3.46Å; S849-W853 PolarHBondContact O-N 3.46Å; W853-S855 PolarHBondContact O-N 2.56Å; W853-L856 HydrophobicContact CE3-CD2 3.83Å; W853-L856 HydrophobicContact CH2-CD2 4.4Å; W853-L856 HydrophobicContact CZ3-CD2 3.44Å; W853-L856 VanDerWaalsContact CZ3-CD2 3.44Å |
| 854 | S | 89.1 | Confident | 89.8 | Confident | 109 Ų | 109 | 61.3 Ų | 61.3 | 76% | 0.762 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -71.3 | -12.8 | 175.4 | -173.1 | 0 | 0 | 0 | 0 | 114.3 | D850 H851 F852 | D850-S854 VanDerWaalsContact O-CB 3.27Å; D850-S854 WeakPolarHBondContact O-CB 3.44Å; D850-S854 PolarHBondContact O-N 3.02Å; H851-S854 PolarHBondContact O-N 3.06Å; F852-S854 PolarHBondContact O-N 3.37Å |
| 855 | S | 89.9 | Confident | 88.4 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -125.6 | -3 | -176 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | P742 H851 F852 W853 E857 | P742-S855 VanDerWaalsContact CA-OG 3.28Å; P742-S855 WeakPolarHBondContact CA-OG 3.37Å; P742-S855 WeakPolarHBondContact CB-OG 3.3Å; H851-S855 WeakPolarHBondContact O-CB 3.45Å; H851-S855 PolarHBondContact O-N 3.41Å; H851-S855 VanDerWaalsContact O-N 3.11Å; H851-S855 PolarHBondContact O-OG 2.96Å; F852-S855 PolarHBondContact O-N 2.99Å; F852-S855 PolarHBondContact O-OG 3.38Å; W853-S855 PolarHBondContact O-N 2.56Å; S855-E857 PolarHBondContact O-N 3.49Å |
| 856 | L | 89.8 | Confident | 86.4 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | trans | -83.7 | 90.2 | 173.6 | -177.4 | 76.1 | 0 | 0 | 0 | 111 | P742 L779 F781 I804 F852 W853 I858 | P742-L856 HydrophobicContact CB-CB 4.29Å; P742-L856 HydrophobicContact CG-CB 4.41Å; P742-L856 HydrophobicContact CG-CD1 3.87Å; L779-L856 HydrophobicContact CD1-CD2 4.15Å; F781-L856 HydrophobicContact CE1-CD1 4.37Å; I804-L856 HydrophobicContact CD1-CD1 3.87Å; I804-L856 HydrophobicContact CG2-CD1 4.41Å; F852-L856 HydrophobicContact CE1-CD2 3.88Å; F852-L856 HydrophobicContact CE2-CD1 4.47Å; F852-L856 HydrophobicContact CZ-CD1 4.15Å; F852-L856 HydrophobicContact CZ-CD2 4.02Å; F852-L856 WeakPolarHBondContact O-CB 3.42Å; F852-L856 PolarHBondContact O-N 3.16Å; W853-L856 HydrophobicContact CE3-CD2 3.83Å; W853-L856 HydrophobicContact CH2-CD2 4.4Å; W853-L856 HydrophobicContact CZ3-CD2 3.44Å; W853-L856 VanDerWaalsContact CZ3-CD2 3.44Å; L856-I858 HydrophobicContact CD2-CD1 4.18Å; L856-I858 HydrophobicContact CD2-CG1 4.08Å; L856-I858 HydrophobicContact CG-CG1 4.05Å; L856-I858 PolarHBondContact O-N 2.74Å | ||
| 857 | E | 89.2 | Confident | 84.5 | Confident | 123 Ų | 123 | 62.8 Ų | 62.8 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | trans | -79.1 | 109.4 | 165.8 | -66.8 | 161.8 | -164.2 | 0 | 0 | 109.4 | K741 S855 | K741-E857 IonicContact NZ-OE1 2.66Å; K741-E857 PolarHBondContact NZ-OE1 3.32Å; K741-E857 IonicContact NZ-OE2 2.66Å; K741-E857 PolarHBondContact NZ-OE2 3.2Å; S855-E857 PolarHBondContact O-N 3.49Å | ||
| 858 | I | 91.5 | Very high | 82.5 | Confident | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.195 | 30% | 0.304 | C | S | . | . | trans | -85.2 | 115.4 | 173 | -58.1 | -178.9 | 0 | 0 | 0 | 108.6 | L779 I804 P808 L856 F860 | L779-I858 HydrophobicContact CD1-CD1 3.91Å; I804-I858 HydrophobicContact CG2-CG1 4.27Å; I804-I858 HydrophobicContact CG2-CG2 4.43Å; P808-I858 HydrophobicContact CB-CD1 3.91Å; L856-I858 HydrophobicContact CD2-CD1 4.18Å; L856-I858 HydrophobicContact CD2-CG1 4.08Å; L856-I858 HydrophobicContact CG-CG1 4.05Å; L856-I858 PolarHBondContact O-N 2.74Å; I858-F860 VanDerWaalsContact C-N 3.3Å; I858-F860 WeakPolarHBondContact CG2-O 3.35Å; I858-F860 PolarHBondContact O-N 3.43Å | ||
| 859 | T | 92.1 | Very high | 79.8 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -59.6 | -38.1 | -177.2 | -40.4 | 0 | 0 | 0 | 0 | 112.5 | L799 D803 I804 | L799-T859 HydrophobicContact CD2-CG2 3.65Å; D803-T859 HydrophobicContact CB-CG2 4.41Å; D803-T859 WeakPolarHBondContact CB-OG1 3.43Å; D803-T859 WeakPolarHBondContact OD1-CB 3.4Å; D803-T859 WeakPolarHBondContact OD1-CG2 3.49Å; D803-T859 PolarHBondContact OD1-OG1 2.88Å; I804-T859 PolarHBondContact N-OG1 3.28Å; I804-T859 VanDerWaalsContact N-OG1 3.15Å; I804-T859 WeakPolarHBondContact O-CB 3.5Å; I804-T859 PolarHBondContact O-N 3.22Å |
| 860 | F | 91.5 | Very high | 77.6 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 116.2 | 174.9 | -160.8 | -90.8 | 0 | 0 | 0 | 112.3 | I789 R791 V796 A797 L799 I804 I858 L862 | I789-F860 HydrophobicContact CD1-CB 3.89Å; I789-F860 HydrophobicContact CD1-CD1 3.48Å; I789-F860 VanDerWaalsContact CD1-CD1 3.48Å; I789-F860 HydrophobicContact CD1-CD2 4.42Å; I789-F860 HydrophobicContact CD1-CE1 4.04Å; I789-F860 HydrophobicContact CD1-CG 3.69Å; I789-F860 HydrophobicContact CG2-CD1 4.37Å; I789-F860 HydrophobicContact CG2-CE1 3.85Å; I789-F860 HydrophobicContact CG2-CZ 4.25Å; R791-F860 VanDerWaalsContact NH2-CZ 3.32Å; V796-F860 HydrophobicContact CB-CZ 4.45Å; V796-F860 HydrophobicContact CG1-CE2 3.97Å; V796-F860 HydrophobicContact CG1-CZ 3.9Å; A797-F860 HydrophobicContact CB-CD2 3.65Å; A797-F860 HydrophobicContact CB-CE2 3.74Å; A797-F860 HydrophobicContact CB-CG 4.42Å; L799-F860 HydrophobicContact CD1-CB 4.31Å; L799-F860 HydrophobicContact CD2-CB 4.32Å; I804-F860 PolarHBondContact O-N 2.91Å; I858-F860 VanDerWaalsContact C-N 3.3Å; I858-F860 WeakPolarHBondContact CG2-O 3.35Å; I858-F860 PolarHBondContact O-N 3.43Å; F860-L862 HydrophobicContact CD1-CD2 3.92Å; F860-L862 HydrophobicContact CD1-CG 4.32Å; F860-L862 HydrophobicContact CE1-CD2 4.05Å; F860-L862 PolarHBondContact O-N 3.05Å |
| 861 | N | 91.1 | Very high | 75 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 32% | 0.316 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 116 | 170.4 | -172.7 | -4.6 | 0 | 0 | 0 | 109.3 | G806 R863 | G806-N861 PolarHBondContact O-OD1 3.35Å; N861-R863 VanDerWaalsContact C-N 3.3Å; N861-R863 WeakPolarHBondContact OD1-CB 3.49Å; N861-R863 PolarHBondContact OD1-N 3.49Å |
| 862 | L | 87.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -80.4 | -7.6 | 179.2 | -77.2 | 174.1 | 0 | 0 | 0 | 113.4 | L776 I789 F805 G806 S818 N819 V822 F860 | L776-L862 HydrophobicContact CD1-CB 3.75Å; L776-L862 HydrophobicContact CD2-CB 3.9Å; L776-L862 HydrophobicContact CD2-CD1 4Å; I789-L862 HydrophobicContact CD1-CD2 4.12Å; I789-L862 HydrophobicContact CG2-CD2 4.02Å; F805-L862 HydrophobicContact CD2-CD1 3.71Å; F805-L862 HydrophobicContact CE2-CD1 4.43Å; G806-L862 PolarHBondContact O-N 2.94Å; S818-L862 CarbonylContact C-O 3.56Å; S818-L862 VanDerWaalsContact CA-O 3.3Å; S818-L862 WeakPolarHBondContact CA-O 3.37Å; N819-L862 VanDerWaalsContact CB-O 3.22Å; N819-L862 WeakPolarHBondContact CB-O 3.19Å; N819-L862 PolarHBondContact N-O 3.49Å; V822-L862 HydrophobicContact CG2-CD1 3.83Å; V822-L862 HydrophobicContact CG2-CD2 3.76Å; V822-L862 HydrophobicContact CG2-CG 4.48Å; F860-L862 HydrophobicContact CD1-CD2 3.92Å; F860-L862 HydrophobicContact CD1-CG 4.32Å; F860-L862 HydrophobicContact CE1-CD2 4.05Å; F860-L862 PolarHBondContact O-N 3.05Å | ||
| 863 | R | 84.3 | Confident | 69.7 | Low | 32 Ų | 32 | 67.8 Ų | 67.8 | 12% | 0.121 | 42% | 0.417 | C | S | . | . | B | Isolated β-bridge | trans | -62.4 | 135.8 | -176.4 | -175.7 | 59.1 | 177.3 | 99.4 | 15.9 | 112.4 | E807 Y812 G816 K817 N819 N861 T865 M867 | E807-R863 WeakPolarHBondContact OE1-CD 3.46Å; E807-R863 IonicContact OE1-NE 2.77Å; Y812-R863 HydrophobicContact CE2-CG 4.47Å; G816-R863 VanDerWaalsContact CA-NE 3.33Å; K817-R863 PolarHBondContact O-NH1 3.22Å; N819-R863 PolarHBondContact ND2-O 2.78Å; N819-R863 VanDerWaalsContact ND2-O 3.14Å; N861-R863 VanDerWaalsContact C-N 3.3Å; N861-R863 WeakPolarHBondContact OD1-CB 3.49Å; N861-R863 PolarHBondContact OD1-N 3.49Å; R863-T865 PolarHBondContact O-N 3.16Å; R863-M867 PolarHBondContact NH2-O 2.94Å |
| 864 | D | 74.6 | Confident | 67.2 | Low | 29 Ų | 29 | 70.8 Ų | 70.8 | 16% | 0.155 | 45% | 0.446 | C | S | . | . | trans | -78.6 | 104.6 | 161.8 | -176 | 24.6 | 0 | 0 | 0 | 112.4 | K817 N819 N866 M867 | K817-D864 PolarHBondContact O-N 2.95Å; N819-D864 HydrophobicContact CB-CB 4.16Å; N819-D864 WeakPolarHBondContact ND2-CA 3.42Å; D864-N866 PolarHBondContact O-N 3.39Å; D864-N866 WeakPolarHBondContact OD1-CB 3.48Å; D864-N866 PolarHBondContact OD1-N 2.87Å; D864-M867 WeakPolarHBondContact OD2-CG 3.44Å | ||
| 865 | T | 63.3 | Low | 64.6 | Low | 66 Ų | 66 | 70.4 Ų | 70.4 | 41% | 0.405 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -66.1 | -20.1 | 175.4 | 47.1 | 0 | 0 | 0 | 0 | 113.5 | R863 M867 I868 | R863-T865 PolarHBondContact O-N 3.16Å; T865-M867 VanDerWaalsContact C-N 3.27Å; T865-M867 PolarHBondContact O-N 2.98Å; T865-I868 WeakPolarHBondContact O-CG1 3.38Å |
| 866 | N | 52.9 | Low | 62.2 | Low | 125 Ų | 125 | 77.7 Ų | 77.7 | 67% | 0.668 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -78.9 | -14.3 | -174.3 | -57.7 | -10.3 | 0 | 0 | 0 | 112.3 | D864 | D864-N866 PolarHBondContact O-N 3.39Å; D864-N866 WeakPolarHBondContact OD1-CB 3.48Å; D864-N866 PolarHBondContact OD1-N 2.87Å |
| 867 | M | 50.9 | Low | 59.8 | Low | 111 Ų | 111 | 84.5 Ų | 84.5 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -101.8 | 45.8 | 170.9 | -60.6 | -156.2 | 88.9 | 0 | 0 | 112.8 | K817 R863 D864 T865 | K817-M867 HydrophobicContact CD-SD 4.24Å; R863-M867 PolarHBondContact NH2-O 2.94Å; D864-M867 WeakPolarHBondContact OD2-CG 3.44Å; T865-M867 VanDerWaalsContact C-N 3.27Å; T865-M867 PolarHBondContact O-N 2.98Å |
| 868 | I | 48.7 | Very low | 57.2 | Low | 61 Ų | 61 | 89 Ų | 89 | 31% | 0.313 | 54% | 0.537 | S | S | . | . | trans | -101.8 | 115.4 | 165.5 | -62.1 | 172.9 | 0 | 0 | 0 | 108.1 | Y812 T865 G870 S871 | Y812-I868 HydrophobicContact CE1-CD1 4.42Å; T865-I868 WeakPolarHBondContact O-CG1 3.38Å; I868-G870 PolarHBondContact O-N 3.39Å; I868-G870 VanDerWaalsContact O-N 3.11Å; I868-S871 PolarHBondContact O-N 3.36Å; I868-S871 VanDerWaalsContact O-N 3.1Å | ||
| 869 | P | 37.1 | Very low | 54.3 | Low | 134 Ų | 134 | 90.3 Ų | 90.3 | 87% | 0.87 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 116.5 | 174.1 | -21.8 | 33.3 | 0 | 0 | 0 | 110.4 | ||
| 870 | G | 44.9 | Very low | 51.4 | Low | 80 Ų | 80 | 90 Ų | 90 | 83% | 0.825 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.6 | 1.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | I868 | I868-G870 PolarHBondContact O-N 3.39Å; I868-G870 VanDerWaalsContact O-N 3.11Å |
| 871 | S | 33.6 | Very low | 48.6 | Very low | 59 Ų | 59 | 98.2 Ų | 98.2 | 41% | 0.413 | 61% | 0.607 | S | S | . | * | trans | -77 | 125.4 | 169.3 | -169.1 | 0 | 0 | 0 | 0 | 111 | I868 G873 | I868-S871 PolarHBondContact O-N 3.36Å; I868-S871 VanDerWaalsContact O-N 3.1Å; S871-G873 PolarHBondContact O-N 3.13Å | ||
| 872 | P | 38.8 | Very low | 45.7 | Very low | 133 Ų | 133 | 100.3 Ų | 100.3 | 86% | 0.864 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 89.8 | -177.3 | 31.2 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 873 | G | 33.8 | Very low | 43.1 | Very low | 68 Ų | 68 | 110.7 Ų | 110.7 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.8 | 1.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | S871 | S871-G873 PolarHBondContact O-N 3.13Š|
| 874 | S | 35.4 | Very low | 40.5 | Very low | 113 Ų | 113 | 117.9 Ų | 117.9 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -113.8 | 12.3 | -175.7 | 71.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 875 | A | 35.1 | Very low | 38.4 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -102.2 | -18.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 876 | E | 40.5 | Very low | 36.7 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -120.2 | 83.3 | -178.4 | -65.8 | -174.4 | 155 | 0 | 0 | 110.1 | ||
| 877 | L | 38.3 | Very low | 35.8 | Very low | 163 Ų | 163 | 140 Ų | 140 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -169 | 11.7 | 156.7 | -108.8 | 162.6 | 0 | 0 | 0 | 116.6 | G879 | L877-G879 VanDerWaalsContact C-N 3.3Å; L877-G879 PolarHBondContact O-N 3.09Å; L877-G879 VanDerWaalsContact O-N 3.09Å | ||
| 878 | E | 36 | Very low | 34.8 | Very low | 217 Ų | 217 | 142.7 Ų | 142.7 | 100% | 1.014 | 78% | 0.78 | S | S | * | * | trans | -79.3 | 81.2 | 159.9 | -75.1 | -158 | 126.4 | 0 | 0 | 109.7 | ||||
| 879 | G | 30.3 | Very low | 33.8 | Very low | 65 Ų | 65 | 147.4 Ų | 147.4 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | -168.5 | 76.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | L877 | L877-G879 VanDerWaalsContact C-N 3.3Å; L877-G879 PolarHBondContact O-N 3.09Å; L877-G879 VanDerWaalsContact O-N 3.09Å | ||
| 880 | G | 31.2 | Very low | 33.3 | Very low | 66 Ų | 66 | 146.1 Ų | 146.1 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 65.8 | 102.4 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 881 | F | 31.2 | Very low | 32.4 | Very low | 203 Ų | 203 | 151.9 Ų | 151.9 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | 51.8 | 111 | 139.7 | -68.8 | -81.8 | 0 | 0 | 0 | 122 | ||||
| 882 | S | 32 | Very low | 32.1 | Very low | 104 Ų | 104 | 158.8 Ų | 158.8 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | 91.4 | 158.7 | 127.4 | 86.3 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 883 | R | 33.1 | Very low | 31.4 | Very low | 218 Ų | 218 | 162.3 Ų | 162.3 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | 73.7 | 103.9 | 166.9 | -66 | -176.5 | 174.2 | -173.7 | -1.6 | 119.6 | ||||
| 884 | Q | 28.9 | Very low | 31.1 | Very low | 182 Ų | 182 | 169.6 Ų | 169.6 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | 62.4 | 107.4 | 128 | -63.7 | 177.4 | -14.6 | 0 | 0 | 119.4 | |||||
| 885 | R | 29.5 | Very low | 30.7 | Very low | 251 Ų | 251 | 169.8 Ų | 169.8 | 95% | 0.947 | 82% | 0.818 | S | S | * | * | trans | -92.8 | 108.3 | 153.6 | -164.1 | -178.7 | -163.3 | -168.2 | 7.9 | 110.4 | ||||
| 886 | K | 28.9 | Very low | 30.4 | Very low | 206 Ų | 206 | 171.5 Ų | 171.5 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | -106.7 | 138.8 | 155 | -99.3 | -174.7 | 177.7 | 178.1 | 0 | 110.1 | ||||
| 887 | R | 32.8 | Very low | 29.9 | Very low | 227 Ų | 227 | 170 Ų | 170 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -55.8 | 166.1 | 175.1 | -63 | 167.8 | 161.9 | 164.6 | -7.2 | 110.8 | ||||
| 888 | K | 31.2 | Very low | 29.4 | Very low | 169 Ų | 169 | 168 Ų | 168 | 74% | 0.735 | 79% | 0.794 | S | S | * | * | cis | -175.4 | 172.5 | 31.6 | -146.6 | 174.6 | -175.5 | -175.2 | 0 | 110.8 | ||||
| 889 | L | 28.2 | Very low | 29.1 | Very low | 159 Ų | 159 | 163.1 Ų | 163.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 71.5 | 159.9 | 159.5 | -59.3 | 162.3 | 0 | 0 | 0 | 115.8 | ||||
| 890 | S | 24.9 | Very low | 29.1 | Very low | 108 Ų | 108 | 168.9 Ų | 168.9 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | cis | -143.9 | 178 | 9.6 | 70.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 891 | F | 27.2 | Very low | 28.8 | Very low | 200 Ų | 200 | 174.5 Ų | 174.5 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 154.4 | 171.5 | -82.8 | -116.9 | 0 | 0 | 0 | 111.9 | ||||
| 892 | R | 25.8 | Very low | 29.5 | Very low | 204 Ų | 204 | 170.9 Ų | 170.9 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | 151.4 | 142.8 | 99.2 | -154.9 | -173.8 | -168.4 | 172.6 | 4.4 | 114.5 | |||||
| 893 | R | 25.9 | Very low | 29.2 | Very low | 208 Ų | 208 | 169.1 Ų | 169.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 84.7 | 134.5 | 151.3 | -162.1 | 169.8 | -82.9 | 167.7 | -9 | 119.7 | ||||
| 894 | R | 26.9 | Very low | 29 | Very low | 220 Ų | 220 | 167.8 Ų | 167.8 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -67.6 | -175.7 | 177 | -157.1 | -176.1 | -160.5 | 169.4 | 4.5 | 113.6 | ||||
| 895 | T | 27.5 | Very low | 29.1 | Very low | 117 Ų | 117 | 164.5 Ų | 164.5 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | 82.3 | 136.9 | 169.1 | 67.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 896 | D | 27.5 | Very low | 29 | Very low | 137 Ų | 137 | 157.8 Ų | 157.8 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | cis | -165.9 | 170.4 | -24.4 | -131.5 | -44.6 | 0 | 0 | 0 | 110.8 | ||||
| 897 | K | 30.1 | Very low | 29 | Very low | 146 Ų | 146 | 152.8 Ų | 152.8 | 64% | 0.635 | 78% | 0.776 | S | S | * | * | trans | 34 | 135.3 | 150.6 | -80.7 | -169.9 | 143.7 | -66.6 | 0 | 124.1 | ||||
| 898 | D | 28.9 | Very low | 28.8 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 65% | 0.647 | 78% | 0.778 | S | S | * | * | 66.8 | 149.1 | 128.2 | -64.4 | 24.9 | 0 | 0 | 0 | 121.2 | |||||
| 899 | T | 30.1 | Very low | 28.5 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | cis | -163.4 | 176.6 | -14.9 | -75 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 900 | E | 28.8 | Very low | 29.2 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 119 | 151.4 | 151.1 | -60.5 | -166.5 | 158.1 | 0 | 0 | 119.2 | ||||
| 901 | Q | 26.1 | Very low | 29.4 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -121.2 | -152.7 | -174.3 | -54.4 | -179.7 | -33.1 | 0 | 0 | 107.7 | ||||
| 902 | P | 44.3 | Very low | 29.6 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | cis | -134.7 | -171.1 | -16.7 | 38.9 | -18.5 | 0 | 0 | 0 | 115.1 | ||||
| 903 | G | 27.5 | Very low | 29.7 | Very low | 66 Ų | 66 | 140.1 Ų | 140.1 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | 140 | 110.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 904 | E | 29 | Very low | 29.8 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | 70.9 | 136.2 | 71 | -69.6 | -150.3 | 116.5 | 0 | 0 | 114.3 | |||||
| 905 | V | 30.3 | Very low | 30 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | cis | -159.3 | 159.9 | -5 | 111.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 906 | S | 27.7 | Very low | 30.1 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 11.5 | 143.1 | 162.7 | -52.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 907 | A | 27.4 | Very low | 31.1 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | -171.8 | 161.5 | 121.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 908 | L | 29.6 | Very low | 31.2 | Very low | 173 Ų | 173 | 123.5 Ų | 123.5 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -68 | 169.8 | -165.7 | -71.9 | 64.3 | 0 | 0 | 0 | 118.9 | ||||
| 909 | G | 24.7 | Very low | 31.3 | Very low | 71 Ų | 71 | 122.7 Ų | 122.7 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | -86.3 | -149.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 910 | P | 43.9 | Very low | 31.2 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | cis | -118.4 | -157.5 | 4.8 | 45.3 | -31.2 | 0 | 0 | 0 | 112.1 | ||||
| 911 | G | 27.6 | Very low | 31.1 | Very low | 65 Ų | 65 | 124.1 Ų | 124.1 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | cis | 137.8 | 158.7 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 912 | R | 31.3 | Very low | 31.4 | Very low | 259 Ų | 259 | 126.7 Ų | 126.7 | 98% | 0.977 | 81% | 0.809 | S | S | * | * | trans | 73.1 | 158.6 | -174.5 | -70.5 | -176.8 | 168.8 | -176.2 | -3.1 | 116.6 | ||||
| 913 | A | 29 | Very low | 31.3 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | cis | -172.7 | 158.4 | -27.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 914 | G | 28.3 | Very low | 31.3 | Very low | 82 Ų | 82 | 127.1 Ų | 127.1 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 83.1 | 163 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 915 | A | 29.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | cis | -159.4 | 175.7 | -14.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 916 | G | 29.4 | Very low | 31.9 | Very low | 73 Ų | 73 | 121 Ų | 121 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -80.4 | -159.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 917 | P | 48.4 | Very low | 32 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | cis | -152.3 | 171.9 | 29.3 | 44.2 | -22.9 | 0 | 0 | 0 | 120.8 | ||||
| 918 | S | 33 | Very low | 32 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | trans | 60.1 | 102.9 | 135.9 | 68.8 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 919 | S | 30 | Very low | 31.9 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | 79.7 | 158.8 | 107.7 | 83.3 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 920 | R | 28.1 | Very low | 32.2 | Very low | 249 Ų | 249 | 129.6 Ų | 129.6 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | 78.4 | 140.4 | 171.3 | -64.1 | 179.9 | 169 | -179.1 | -3.8 | 116.5 | ||||
| 921 | G | 26.7 | Very low | 31.9 | Very low | 82 Ų | 82 | 128.2 Ų | 128.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | cis | -170.7 | 165.3 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 922 | R | 32.3 | Very low | 32 | Very low | 239 Ų | 239 | 129.7 Ų | 129.7 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -101.8 | 157.7 | 179.6 | -126.5 | -174.3 | -178.5 | -170.5 | 1.5 | 110.9 | ||||
| 923 | P | 43.8 | Very low | 31.8 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | -124.8 | -156.8 | 71.2 | 44.6 | -35.9 | 0 | 0 | 0 | 111.8 | |||||
| 924 | G | 27 | Very low | 31.7 | Very low | 75 Ų | 75 | 122 Ų | 122 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | -176.3 | -152.8 | 8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 925 | G | 28.1 | Very low | 31.9 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -178.4 | -172.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 926 | P | 43.1 | Very low | 31.7 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | cis | -144.1 | 179.1 | 17 | 33.2 | -8.6 | 0 | 0 | 0 | 117.2 | ||||
| 927 | W | 30.5 | Very low | 31.7 | Very low | 255 Ų | 255 | 126 Ų | 126 | 97% | 0.966 | 79% | 0.789 | S | S | * | * | trans | 61.7 | 155.5 | 173.7 | -41.4 | 94.5 | 0 | 0 | 0 | 116.2 | ||||
| 928 | G | 27.5 | Very low | 31.1 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | cis | -175.3 | 178.1 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 929 | E | 26.6 | Very low | 30.8 | Very low | 203 Ų | 203 | 130.5 Ų | 130.5 | 95% | 0.949 | 80% | 0.8 | S | S | * | * | trans | 71.8 | 173.9 | 174 | -53.7 | -162.7 | 142.4 | 0 | 0 | 118.8 | ||||
| 930 | S | 30.8 | Very low | 30.6 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -139.2 | -176 | -165.3 | -57.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 931 | P | 39.4 | Very low | 30.6 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | cis | -140.6 | -176 | 4.3 | 38 | -15.5 | 0 | 0 | 0 | 116.9 | ||||
| 932 | S | 27.7 | Very low | 30.6 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | 55.7 | 117.8 | 142.6 | 64.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 933 | S | 28.1 | Very low | 30.4 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 64.3 | 130.7 | 131.1 | 64 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 934 | G | 27.1 | Very low | 29.7 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 146.6 | 152.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 935 | P | 33.3 | Very low | 29.8 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | cis | -120.8 | 175.2 | 22.9 | 41.4 | -30.4 | 0 | 0 | 0 | 115.1 | ||||
| 936 | S | 25.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -129 | 139.7 | 174.4 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 937 | S | 29 | Very low | 29.4 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | 67 | 164.2 | 161.6 | -49.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 938 | P | 36.2 | Very low | 29 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | -113.6 | 167.2 | 105.1 | 34.7 | -36.7 | 0 | 0 | 0 | 113.3 | |||||
| 939 | E | 26.1 | Very low | 28.7 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -102.6 | -168 | -171.4 | -58.8 | 175.5 | 92.4 | 0 | 0 | 113.1 | ||||
| 940 | S | 26.3 | Very low | 28.9 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | 76.4 | 144.8 | 163.4 | 82 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 941 | S | 26.6 | Very low | 28.7 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | cis | -165.9 | 162.7 | -26.6 | 45.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 942 | E | 27.1 | Very low | 29.1 | Very low | 182 Ų | 182 | 122.9 Ų | 122.9 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | 17.5 | 134 | 147.3 | -61.7 | 158.5 | 143.3 | 0 | 0 | 118.6 | ||||
| 943 | D | 28.5 | Very low | 29.2 | Very low | 158 Ų | 158 | 126 Ų | 126 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | -167.9 | -166.9 | 79.2 | -154.4 | 0.4 | 0 | 0 | 0 | 114.5 | |||||
| 944 | E | 29.1 | Very low | 29.3 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -60 | 168.2 | -168.9 | -58.3 | -156.8 | 102.2 | 0 | 0 | 119.5 | ||||
| 945 | G | 28.8 | Very low | 29.6 | Very low | 64 Ų | 64 | 134.4 Ų | 134.4 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | -80.5 | -147 | 149.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 946 | P | 38.7 | Very low | 29.4 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | cis | -111.8 | 170 | -3 | 40.4 | -29.9 | 0 | 0 | 0 | 113 | ||||
| 947 | G | 25.4 | Very low | 29.8 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -83.3 | 156.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 948 | R | 21.4 | Very low | 29.6 | Very low | 240 Ų | 240 | 137.9 Ų | 137.9 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -155.5 | 138.7 | 156.7 | -116.3 | 177.1 | -171.3 | -179 | 2.8 | 114.5 | ||||
| 949 | S | 21.6 | Very low | 29.5 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | 9.4 | 110.8 | 145.6 | 55.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 950 | S | 29.5 | Very low | 29.6 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | 86.6 | 139 | 58.5 | 71.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 951 | S | 28.4 | Very low | 29.9 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 74.7 | 164.4 | 165.7 | 87.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 952 | P | 47.3 | Very low | 29.7 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | cis | -133.5 | -154.4 | -34.9 | 29.7 | -7.8 | 0 | 0 | 0 | 112 | ||||
| 953 | L | 29.8 | Very low | 30.7 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | 81.3 | 155.3 | 174.7 | -46 | 171.8 | 0 | 0 | 0 | 113.7 | ||||
| 954 | R | 30.3 | Very low | 31.6 | Very low | 216 Ų | 216 | 135 Ų | 135 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | cis | -155.6 | 160.1 | 13 | -155.3 | 177.9 | -179 | 156.3 | -1.9 | 110.6 | ||||
| 955 | L | 32.3 | Very low | 31.5 | Very low | 155 Ų | 155 | 130 Ų | 130 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | 68.5 | 150.6 | 172.7 | -55.8 | 166.9 | 0 | 0 | 0 | 114.8 | ||||
| 956 | V | 28.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | cis | -176 | 149.1 | -31.3 | 117.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 957 | P | 35.2 | Very low | 32.6 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 62% | 0.623 | 77% | 0.77 | S | S | * | * | cis | -132.1 | 148.8 | -13.5 | 37.1 | -19.1 | 0 | 0 | 0 | 116.4 | ||||
| 958 | F | 23.3 | Very low | 33.4 | Very low | 198 Ų | 198 | 138.3 Ų | 138.3 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | 62.2 | 165.8 | 140.5 | -76.1 | -122 | 0 | 0 | 0 | 121.7 | ||||
| 959 | S | 35.3 | Very low | 34.4 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | cis | -175.7 | 114.8 | -41.8 | -89.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 960 | S | 28.7 | Very low | 35.7 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | 62.8 | 164.2 | 163.6 | -55.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 961 | P | 32.5 | Very low | 36.7 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -106.4 | -175.4 | -13.8 | 41.5 | -28.4 | 0 | 0 | 0 | 111.7 | ||||
| 962 | R | 21.8 | Very low | 38 | Very low | 231 Ų | 231 | 134.2 Ų | 134.2 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | cis | 73.7 | 145.4 | 30.7 | -117.6 | -173.1 | -173.9 | -176.9 | 2.9 | 114.3 | ||||
| 963 | P | 47.1 | Very low | 37.9 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -115.6 | -92.2 | -11.2 | 17.6 | 6.7 | 0 | 0 | 0 | 119 | ||||
| 964 | P | 48.5 | Very low | 38.1 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -90.4 | -165.9 | -142.5 | 45.7 | -41.1 | 0 | 0 | 0 | 112.4 | ||||
| 965 | G | 27.5 | Very low | 38.4 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | 155.5 | -178.2 | 21.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 966 | E | 36 | Very low | 38.7 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -82.6 | -167.8 | 168.2 | -56.4 | 178 | 98.7 | 0 | 0 | 111.9 | ||||
| 967 | P | 53.6 | Low | 39.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | -89.3 | 171.9 | -111.6 | 41.5 | -29.2 | 0 | 0 | 0 | 114.4 | |||||
| 968 | P | 42.1 | Very low | 39.3 | Very low | 132 Ų | 132 | 137 Ų | 137 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | -140.1 | 160.1 | 100.1 | 37 | -23.8 | 0 | 0 | 0 | 113.5 | |||||
| 969 | G | 43.6 | Very low | 39.7 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -97.7 | 157.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 970 | G | 47.5 | Very low | 39.4 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 162.4 | 65.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 971 | E | 50.3 | Low | 39.6 | Very low | 191 Ų | 191 | 136 Ų | 136 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | 56.2 | -163.9 | 161.9 | -49.7 | -158.9 | 117.5 | 0 | 0 | 118 | ||||
| 972 | P | 57.3 | Low | 39.6 | Very low | 105 Ų | 105 | 137 Ų | 137 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | -137.4 | -175.4 | -105.3 | 43.5 | -24.1 | 0 | 0 | 0 | 118.8 | |||||
| 973 | L | 45 | Very low | 40.2 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | 94.9 | 149.2 | 156.2 | -66.2 | 163.5 | 0 | 0 | 0 | 122.1 | ||||
| 974 | M | 34.4 | Very low | 39.3 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 70 | 152.7 | 168.5 | -64 | 174.6 | 169.1 | 0 | 0 | 118 | ||||
| 975 | D | 36.3 | Very low | 38.3 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | cis | -175 | 166.4 | -20.4 | -93.4 | -9.9 | 0 | 0 | 0 | 106.8 | ||||
| 976 | D | 38.3 | Very low | 38.4 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | cis | -167.5 | 178.3 | -15.8 | 173.8 | 43.3 | 0 | 0 | 0 | 109 | ||||
| 977 | C | 38.7 | Very low | 37.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | trans | 76 | 86.8 | 158.9 | -176.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 978 | E | 38 | Very low | 36.6 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -153.4 | -145.9 | 163.1 | -134.3 | -167.3 | 157.7 | 0 | 0 | 118.5 | ||||
| 979 | K | 31.4 | Very low | 35.9 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -123.3 | 169.1 | -161.6 | -68.4 | 170.1 | 176.3 | 165 | 0 | 116.1 | ||||
| 980 | S | 29.3 | Very low | 35.1 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 71.3 | 156.1 | 163.1 | -84.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 981 | S | 32.9 | Very low | 34.1 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | cis | 92.7 | 150.5 | 10.4 | 95.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 982 | D | 32.9 | Very low | 33 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | cis | -164.6 | -173.9 | 11.7 | -142 | -53.8 | 0 | 0 | 0 | 114.6 | ||||
| 983 | T | 32.9 | Very low | 31.5 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | 87.4 | 132.2 | 151.2 | 48 | 0 | 0 | 0 | 0 | 128.1 | ||||
| 984 | C | 29 | Very low | 30.7 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 90.8 | 108.2 | 130.5 | -78 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 985 | N | 27.6 | Very low | 30.3 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | 43.3 | 132 | 126.4 | -67.2 | -3.3 | 0 | 0 | 0 | 125.7 | |||||
| 986 | P | 28.4 | Very low | 29.9 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -135.2 | 91.2 | 155.9 | 37.7 | -19.9 | 0 | 0 | 0 | 115 | ||||
| 987 | L | 27.1 | Very low | 29.6 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | -149.3 | 105.2 | 167.3 | -84.2 | -176 | 0 | 0 | 0 | 113.6 | ||||
| 988 | S | 26.5 | Very low | 29.1 | Very low | 131 Ų | 131 | 135 Ų | 135 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -170.8 | 119.8 | 156.8 | -83.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 989 | G | 26.7 | Very low | 28.6 | Very low | 85 Ų | 85 | 130.1 Ų | 130.1 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | 175.7 | -0.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 990 | A | 27.6 | Very low | 28.4 | Very low | 81 Ų | 81 | 130.6 Ų | 130.6 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -153.3 | 131.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 991 | F | 25.9 | Very low | 28.4 | Very low | 215 Ų | 215 | 138.3 Ų | 138.3 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | cis | -123.3 | 130.4 | -4.1 | -71.4 | -100.8 | 0 | 0 | 0 | 109.7 | ||||
| 992 | S | 27 | Very low | 28 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | -117.2 | 115.3 | 163.5 | -176 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 993 | G | 26 | Very low | 27.8 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | trans | -157.9 | 145.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 994 | V | 28.5 | Very low | 27.5 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 64.6 | 54.6 | -179 | -158.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 995 | S | 25.9 | Very low | 27.5 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -160.9 | 65.7 | 155.7 | -80 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 996 | N | 26.8 | Very low | 27.4 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -173.9 | 95.8 | 163.3 | -97.5 | -23.9 | 0 | 0 | 0 | 109.7 | ||||
| 997 | I | 32.3 | Very low | 27.4 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -122.7 | -12.9 | 177.3 | -71.5 | -179.8 | 0 | 0 | 0 | 112.7 | ||
| 998 | F | 27.3 | Very low | 27.3 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -135.2 | 72.3 | 179.7 | -77 | -77.2 | 0 | 0 | 0 | 112.6 | ||
| 999 | S | 29.4 | Very low | 27.3 | Very low | 86 Ų | 86 | 146.5 Ų | 146.5 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | trans | -170.6 | 41.6 | 172.9 | 47.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1000 | F | 26.6 | Very low | 27.3 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -148 | 64.1 | 176.1 | -154.5 | -99.7 | 0 | 0 | 0 | 115.9 | ||||
| 1001 | W | 29 | Very low | 27.4 | Very low | 272 Ų | 272 | 155.9 Ų | 155.9 | 100% | 1.03 | 81% | 0.808 | S | S | * | * | trans | -136.5 | 106.7 | 159.4 | -95.5 | 73.3 | 0 | 0 | 0 | 109.1 | ||||
| 1002 | G | 25.6 | Very low | 27.4 | Very low | 68 Ų | 68 | 153.2 Ų | 153.2 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 170.3 | 128.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1003 | D | 26.8 | Very low | 28 | Very low | 109 Ų | 109 | 152.1 Ų | 152.1 | 58% | 0.583 | 79% | 0.792 | S | S | * | * | trans | -29.3 | 141.5 | -177.1 | -115.5 | -49.8 | 0 | 0 | 0 | 115.4 | R1005 | D1003-R1005 WeakPolarHBondContact OD1-CG 3.46Å; D1003-R1005 PolarHBondContact OD1-N 3.29Å; D1003-R1005 IonicContact OD1-NE 3.99Å; D1003-R1005 PolarHBondContact OD1-NE 3.21Å; D1003-R1005 IonicContact OD2-CZ 2.94Å; D1003-R1005 IonicContact OD2-NE 3.53Å; D1003-R1005 PolarHBondContact OD2-NE 3.38Å; D1003-R1005 IonicContact OD2-NH2 3.22Å; D1003-R1005 PolarHBondContact OD2-NH2 3.16Å | ||
| 1004 | S | 27.7 | Very low | 27.9 | Very low | 121 Ų | 121 | 160.7 Ų | 160.7 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | -153.9 | 134.1 | 77.5 | -68.4 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1005 | R | 28.4 | Very low | 27.7 | Very low | 215 Ų | 215 | 159.8 Ų | 159.8 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -41.1 | 148.9 | 169.9 | -55.6 | 141.6 | -159.3 | -154.7 | 2.4 | 115.9 | D1003 | D1003-R1005 WeakPolarHBondContact OD1-CG 3.46Å; D1003-R1005 PolarHBondContact OD1-N 3.29Å; D1003-R1005 IonicContact OD1-NE 3.99Å; D1003-R1005 PolarHBondContact OD1-NE 3.21Å; D1003-R1005 IonicContact OD2-CZ 2.94Å; D1003-R1005 IonicContact OD2-NE 3.53Å; D1003-R1005 PolarHBondContact OD2-NE 3.38Å; D1003-R1005 IonicContact OD2-NH2 3.22Å; D1003-R1005 PolarHBondContact OD2-NH2 3.16Å | ||
| 1006 | G | 26.7 | Very low | 28.5 | Very low | 76 Ų | 76 | 159.9 Ų | 159.9 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -156.7 | 2.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1007 | R | 27.4 | Very low | 28.7 | Very low | 225 Ų | 225 | 157.7 Ų | 157.7 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | 67.4 | 130.7 | 175.8 | -74.9 | -175.8 | 170.1 | -166.9 | -0.6 | 120.9 | ||||
| 1008 | Q | 26.1 | Very low | 29.1 | Very low | 164 Ų | 164 | 156.7 Ų | 156.7 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | 62.8 | 107.1 | 138.9 | -67 | 173 | -93.2 | 0 | 0 | 121.3 | ||||
| 1009 | Y | 26.4 | Very low | 29.3 | Very low | 228 Ų | 228 | 153.3 Ų | 153.3 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -75.4 | 157.9 | 157.7 | -82 | -112.2 | 0 | 0 | 0 | 112.1 | ||||
| 1010 | Q | 25.9 | Very low | 29.8 | Very low | 194 Ų | 194 | 154.4 Ų | 154.4 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -139.3 | 143.4 | 151 | -165.9 | 155.5 | -3.5 | 0 | 0 | 109.3 | ||||
| 1011 | E | 29.5 | Very low | 29.9 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -98.2 | -178.3 | -161.4 | -57.7 | 179.7 | 112.2 | 0 | 0 | 114.9 | ||||
| 1012 | L | 26.5 | Very low | 30.1 | Very low | 158 Ų | 158 | 144 Ų | 144 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | 118.1 | 156.5 | 148.7 | -65 | 176.3 | 0 | 0 | 0 | 115.9 | ||||
| 1013 | P | 38.6 | Very low | 30.5 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | cis | -135 | 171 | -23.7 | 33.2 | -16 | 0 | 0 | 0 | 114.6 | ||||
| 1014 | R | 24.3 | Very low | 30.5 | Very low | 245 Ų | 245 | 149.5 Ų | 149.5 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -166.7 | 152.9 | 144.4 | -111.3 | 162.6 | -173.7 | 165.4 | 3.4 | 113.9 | ||||
| 1015 | C | 24.9 | Very low | 30.5 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -165.2 | 175.1 | -171.9 | -88.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1016 | P | 43.1 | Very low | 31 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | cis | -143.1 | 179.1 | -43.2 | 41.6 | -25.3 | 0 | 0 | 0 | 115.3 | ||||
| 1017 | A | 29.7 | Very low | 31 | Very low | 94 Ų | 94 | 149.6 Ų | 149.6 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | 70.7 | 166.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1018 | P | 41.5 | Very low | 30.9 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | cis | -125.7 | -175.5 | 4 | 41.9 | -25.7 | 0 | 0 | 0 | 116.8 | ||||
| 1019 | T | 31.1 | Very low | 31.1 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -133.9 | 172.1 | -171.3 | 55.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 1020 | P | 40.3 | Very low | 31.8 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | -134.5 | 174 | 99.9 | 32.8 | -15.4 | 0 | 0 | 0 | 112.1 | |||||
| 1021 | S | 29.1 | Very low | 32.1 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | cis | 79.1 | 147.4 | 19.6 | 90 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1022 | L | 32.9 | Very low | 32.8 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | cis | -147.2 | 176.1 | 2.5 | -67.1 | 170.6 | 0 | 0 | 0 | 107.3 | ||||
| 1023 | L | 33.9 | Very low | 34 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 67% | 0.665 | 79% | 0.785 | S | S | * | * | cis | -168.4 | 149.2 | -23.5 | -109.9 | 174.4 | 0 | 0 | 0 | 108.5 | I1025 | L1023-I1025 HydrophobicContact CD2-CD1 4.11Å; L1023-I1025 HydrophobicContact CD2-CG1 4.37Å | ||
| 1024 | N | 25.6 | Very low | 34.7 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -169.1 | 151.8 | 134 | -116.4 | -17.5 | 0 | 0 | 0 | 113.2 | ||||
| 1025 | I | 28.6 | Very low | 36.1 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -141.3 | 126.2 | -166.7 | -67.6 | 172.5 | 0 | 0 | 0 | 107.9 | L1023 | L1023-I1025 HydrophobicContact CD2-CD1 4.11Å; L1023-I1025 HydrophobicContact CD2-CG1 4.37Å | ||
| 1026 | P | 38.4 | Very low | 37.9 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | -137.7 | 179.3 | 77.9 | 20.8 | 3.6 | 0 | 0 | 0 | 112.8 | |||||
| 1027 | L | 26.3 | Very low | 38.9 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | cis | -161.5 | -175.7 | -13.2 | -110.5 | 172.5 | 0 | 0 | 0 | 105.6 | ||||
| 1028 | S | 26.3 | Very low | 40.9 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | -160 | 155.6 | -2.5 | 42 | 0 | 0 | 0 | 0 | 108 | ||||
| 1029 | S | 30.2 | Very low | 42.2 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | trans | -159.8 | 134.8 | 177.3 | 177.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1030 | P | 40.2 | Very low | 44.4 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 81% | 0.805 | 70% | 0.697 | S | S | * | * | trans | -99.1 | 160.6 | 150 | 37.4 | -29.8 | 0 | 0 | 0 | 110.6 | ||||
| 1031 | G | 32.7 | Very low | 46 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | cis | 179.6 | 142.5 | -4.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | R1033 | G1031-R1033 PolarHBondContact O-N 3.27Š| ||
| 1032 | R | 44.7 | Very low | 48.1 | Very low | 260 Ų | 260 | 130.2 Ų | 130.2 | 98% | 0.981 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 125.4 | -174.2 | -100.6 | -177.1 | 175.3 | -176.9 | -0.3 | 112.2 | ||
| 1033 | R | 50.9 | Low | 50.4 | Low | 233 Ų | 233 | 127.3 Ų | 127.3 | 88% | 0.879 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 148 | 158.3 | -71.6 | -173.4 | 178.8 | 176.1 | 0.3 | 110.4 | G1031 | G1031-R1033 PolarHBondContact O-N 3.27Š|
| 1034 | P | 54.9 | Low | 52.6 | Low | 94 Ų | 94 | 123.1 Ų | 123.1 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 137.8 | -177.4 | 30.6 | -34.5 | 0 | 0 | 0 | 112 | G1036 D1037 | P1034-G1036 VanDerWaalsContact C-N 3.3Å; P1034-G1036 PolarHBondContact O-N 2.91Å; P1034-D1037 PolarHBondContact O-N 3.44Å |
| 1035 | R | 52.8 | Low | 55 | Low | 195 Ų | 195 | 120.4 Ų | 120.4 | 74% | 0.736 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -34 | -175.5 | 179.6 | 175.9 | 163.2 | 162.3 | -0.8 | 114.2 | D1037 V1038 E1039 | R1035-D1037 PolarHBondContact O-N 3.4Å; R1035-D1037 VanDerWaalsContact O-N 3.15Å; R1035-V1038 PolarHBondContact O-N 3.46Å; R1035-V1038 VanDerWaalsContact O-N 3.11Å; R1035-E1039 IonicContact CZ-OE1 2.87Å; R1035-E1039 IonicContact NE-OE1 2.68Å; R1035-E1039 PolarHBondContact NE-OE1 2.82Å; R1035-E1039 IonicContact NH2-OE1 3.23Å; R1035-E1039 PolarHBondContact NH2-OE1 2.72Å; R1035-E1039 VanDerWaalsContact NH2-OE1 3.16Å; R1035-E1039 PolarHBondContact O-N 2.88Å |
| 1036 | G | 63.4 | Low | 57.3 | Low | 40 Ų | 40 | 119.2 Ų | 119.2 | 41% | 0.412 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.7 | -20.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1034 V1038 E1039 S1040 | P1034-G1036 VanDerWaalsContact C-N 3.3Å; P1034-G1036 PolarHBondContact O-N 2.91Å; G1036-V1038 VanDerWaalsContact C-N 3.29Å; G1036-V1038 PolarHBondContact O-N 3.45Å; G1036-E1039 PolarHBondContact O-N 3.03Å; G1036-S1040 VanDerWaalsContact O-CB 3.31Å; G1036-S1040 WeakPolarHBondContact O-CB 3.27Å; G1036-S1040 PolarHBondContact O-N 3.36Å; G1036-S1040 PolarHBondContact O-OG 3.16Å |
| 1037 | D | 62.9 | Low | 59.4 | Low | 99 Ų | 99 | 120.4 Ų | 120.4 | 53% | 0.529 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -75.3 | -19.2 | 177.7 | -122.7 | 19.4 | 0 | 0 | 0 | 113.1 | P1034 R1035 S1040 R1041 | P1034-D1037 PolarHBondContact O-N 3.44Å; R1035-D1037 PolarHBondContact O-N 3.4Å; R1035-D1037 VanDerWaalsContact O-N 3.15Å; D1037-S1040 PolarHBondContact O-OG 2.98Å; D1037-R1041 WeakPolarHBondContact O-CD 3.39Å; D1037-R1041 WeakPolarHBondContact O-CG 3.42Å |
| 1038 | V | 71.2 | Confident | 62.1 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -86 | -43 | 171.6 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | R1035 G1036 R1041 L1042 | R1035-V1038 PolarHBondContact O-N 3.46Å; R1035-V1038 VanDerWaalsContact O-N 3.11Å; G1036-V1038 VanDerWaalsContact C-N 3.29Å; G1036-V1038 PolarHBondContact O-N 3.45Å; V1038-R1041 PolarHBondContact O-N 3.48Å; V1038-L1042 PolarHBondContact O-N 3.37Å |
| 1039 | E | 70.2 | Confident | 64.5 | Low | 89 Ų | 89 | 118.9 Ų | 118.9 | 42% | 0.416 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.3 | -42.2 | 179.4 | -69.1 | 163.4 | 165.1 | 0 | 0 | 110.7 | R1035 G1036 R1041 L1042 D1043 | R1035-E1039 IonicContact CZ-OE1 2.87Å; R1035-E1039 IonicContact NE-OE1 2.68Å; R1035-E1039 PolarHBondContact NE-OE1 2.82Å; R1035-E1039 IonicContact NH2-OE1 3.23Å; R1035-E1039 PolarHBondContact NH2-OE1 2.72Å; R1035-E1039 VanDerWaalsContact NH2-OE1 3.16Å; R1035-E1039 PolarHBondContact O-N 2.88Å; G1036-E1039 PolarHBondContact O-N 3.03Å; E1039-R1041 VanDerWaalsContact C-N 3.34Å; E1039-R1041 PolarHBondContact O-N 3.34Å; E1039-L1042 WeakPolarHBondContact O-CB 3.26Å; E1039-L1042 PolarHBondContact O-N 3.29Å; E1039-D1043 WeakPolarHBondContact O-CB 3.31Å; E1039-D1043 PolarHBondContact O-N 3.11Å |
| 1040 | S | 76.1 | Confident | 66.9 | Low | 59 Ų | 59 | 117.1 Ų | 117.1 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64 | -32.8 | 175.5 | 70.5 | 0 | 0 | 0 | 0 | 114.1 | G1036 D1037 D1043 A1044 | G1036-S1040 VanDerWaalsContact O-CB 3.31Å; G1036-S1040 WeakPolarHBondContact O-CB 3.27Å; G1036-S1040 PolarHBondContact O-N 3.36Å; G1036-S1040 PolarHBondContact O-OG 3.16Å; D1037-S1040 PolarHBondContact O-OG 2.98Å; S1040-D1043 WeakPolarHBondContact O-CB 3.43Å; S1040-A1044 PolarHBondContact O-N 2.89Å; S1040-A1044 VanDerWaalsContact O-N 3.08Å |
| 1041 | R | 74.3 | Confident | 69.1 | Low | 178 Ų | 178 | 120.3 Ų | 120.3 | 67% | 0.672 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.8 | -35.8 | 174.5 | -75.5 | 178.6 | 177.6 | -119.9 | -1.8 | 112.4 | D1037 V1038 E1039 D1043 A1044 L1045 | D1037-R1041 WeakPolarHBondContact O-CD 3.39Å; D1037-R1041 WeakPolarHBondContact O-CG 3.42Å; V1038-R1041 PolarHBondContact O-N 3.48Å; E1039-R1041 VanDerWaalsContact C-N 3.34Å; E1039-R1041 PolarHBondContact O-N 3.34Å; R1041-D1043 VanDerWaalsContact C-N 3.33Å; R1041-A1044 PolarHBondContact O-N 3.49Å; R1041-L1045 WeakPolarHBondContact O-CG 3.45Å; R1041-L1045 PolarHBondContact O-N 3.15Å |
| 1042 | L | 74.3 | Confident | 71.3 | Confident | 119 Ų | 119 | 122.7 Ų | 122.7 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.8 | -46.4 | 173.5 | -151.3 | 80.6 | 0 | 0 | 0 | 110.2 | V1038 E1039 A1044 L1045 Q1046 | V1038-L1042 PolarHBondContact O-N 3.37Å; E1039-L1042 WeakPolarHBondContact O-CB 3.26Å; E1039-L1042 PolarHBondContact O-N 3.29Å; L1042-A1044 VanDerWaalsContact C-N 3.33Å; L1042-A1044 PolarHBondContact O-N 3.39Å; L1042-L1045 PolarHBondContact O-N 2.98Å; L1042-Q1046 PolarHBondContact O-N 3.08Å |
| 1043 | D | 80.1 | Confident | 73.2 | Confident | 88 Ų | 88 | 116 Ų | 116 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.8 | -39.8 | 175 | -121.7 | 43.7 | 0 | 0 | 0 | 113.1 | E1039 S1040 R1041 R1047 | E1039-D1043 WeakPolarHBondContact O-CB 3.31Å; E1039-D1043 PolarHBondContact O-N 3.11Å; S1040-D1043 WeakPolarHBondContact O-CB 3.43Å; R1041-D1043 VanDerWaalsContact C-N 3.33Å; D1043-R1047 WeakPolarHBondContact O-CB 3.33Å; D1043-R1047 WeakPolarHBondContact O-CG 3.33Å; D1043-R1047 PolarHBondContact O-N 3.43Å; D1043-R1047 VanDerWaalsContact O-N 3.09Å; D1043-R1047 PolarHBondContact O-NE 3.46Å; D1043-R1047 IonicContact OD2-CZ 3.69Å; D1043-R1047 IonicContact OD2-NE 3.92Å; D1043-R1047 IonicContact OD2-NH2 2.73Å; D1043-R1047 PolarHBondContact OD2-NH2 3.22Å |
| 1044 | A | 80.3 | Confident | 74.8 | Confident | 39 Ų | 39 | 109 Ų | 109 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S1040 R1041 L1042 R1047 Q1048 | S1040-A1044 PolarHBondContact O-N 2.89Å; S1040-A1044 VanDerWaalsContact O-N 3.08Å; R1041-A1044 PolarHBondContact O-N 3.49Å; L1042-A1044 VanDerWaalsContact C-N 3.33Å; L1042-A1044 PolarHBondContact O-N 3.39Å; A1044-R1047 PolarHBondContact O-N 3.4Å; A1044-Q1048 PolarHBondContact O-N 3.09Å |
| 1045 | L | 76.6 | Confident | 76.2 | Confident | 110 Ų | 110 | 113.5 Ų | 113.5 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 176.1 | -73.7 | 168.4 | 0 | 0 | 0 | 111.7 | R1041 L1042 R1047 Q1048 L1049 | R1041-L1045 WeakPolarHBondContact O-CG 3.45Å; R1041-L1045 PolarHBondContact O-N 3.15Å; L1042-L1045 PolarHBondContact O-N 2.98Å; L1045-R1047 VanDerWaalsContact C-N 3.3Å; L1045-R1047 PolarHBondContact O-N 3.23Å; L1045-Q1048 PolarHBondContact O-N 3.29Å; L1045-L1049 WeakPolarHBondContact O-CB 3.48Å; L1045-L1049 PolarHBondContact O-N 3.38Å |
| 1046 | Q | 76.2 | Confident | 77.3 | Confident | 110 Ų | 110 | 109.2 Ų | 109.2 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 176.4 | -161.4 | 70.8 | 19.3 | 0 | 0 | 111.2 | L1042 Q1048 L1049 N1050 | L1042-Q1046 PolarHBondContact O-N 3.08Å; Q1046-Q1048 VanDerWaalsContact C-N 3.33Å; Q1046-Q1048 PolarHBondContact O-N 3.03Å; Q1046-L1049 PolarHBondContact O-N 3.41Å; Q1046-N1050 PolarHBondContact O-N 3.33Å; Q1046-N1050 PolarHBondContact O-OD1 2.73Å; Q1046-N1050 VanDerWaalsContact O-OD1 3.06Å |
| 1047 | R | 82.3 | Confident | 78.2 | Confident | 143 Ų | 143 | 110.6 Ų | 110.6 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -26.5 | 175.4 | -72.6 | -178.1 | -117.1 | 119.5 | -8.9 | 113.9 | D1043 A1044 L1045 R1051 | D1043-R1047 WeakPolarHBondContact O-CB 3.33Å; D1043-R1047 WeakPolarHBondContact O-CG 3.33Å; D1043-R1047 PolarHBondContact O-N 3.43Å; D1043-R1047 VanDerWaalsContact O-N 3.09Å; D1043-R1047 PolarHBondContact O-NE 3.46Å; D1043-R1047 IonicContact OD2-CZ 3.69Å; D1043-R1047 IonicContact OD2-NE 3.92Å; D1043-R1047 IonicContact OD2-NH2 2.73Å; D1043-R1047 PolarHBondContact OD2-NH2 3.22Å; A1044-R1047 PolarHBondContact O-N 3.4Å; L1045-R1047 VanDerWaalsContact C-N 3.3Å; L1045-R1047 PolarHBondContact O-N 3.23Å; R1047-R1051 WeakPolarHBondContact O-CB 3.44Å; R1047-R1051 WeakPolarHBondContact O-CD 3.47Å; R1047-R1051 VanDerWaalsContact O-CG 3.27Å; R1047-R1051 WeakPolarHBondContact O-CG 3.48Å |
| 1048 | Q | 84.5 | Confident | 79.3 | Confident | 128 Ų | 128 | 108.3 Ų | 108.3 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -75.6 | -39.7 | 170.4 | -72.7 | -176 | -78.7 | 0 | 0 | 111.9 | A1044 L1045 Q1046 R1051 L1052 | A1044-Q1048 PolarHBondContact O-N 3.09Å; L1045-Q1048 PolarHBondContact O-N 3.29Å; Q1046-Q1048 VanDerWaalsContact C-N 3.33Å; Q1046-Q1048 PolarHBondContact O-N 3.03Å; Q1048-R1051 WeakPolarHBondContact O-CB 3.5Å; Q1048-R1051 PolarHBondContact O-N 3.03Å; Q1048-L1052 PolarHBondContact O-N 2.89Å |
| 1049 | L | 76.8 | Confident | 79.9 | Confident | 105 Ų | 105 | 108.1 Ų | 108.1 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -49.8 | -179.1 | -159.4 | 156.2 | 0 | 0 | 0 | 111 | L1045 Q1046 R1051 L1052 E1053 | L1045-L1049 WeakPolarHBondContact O-CB 3.48Å; L1045-L1049 PolarHBondContact O-N 3.38Å; Q1046-L1049 PolarHBondContact O-N 3.41Å; L1049-R1051 PolarHBondContact O-N 2.87Å; L1049-L1052 PolarHBondContact O-N 3.06Å; L1049-E1053 PolarHBondContact O-N 3.37Å |
| 1050 | N | 79.9 | Confident | 80.3 | Confident | 77 Ų | 77 | 109.4 Ų | 109.4 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -31.4 | 175.7 | -65.4 | 28.7 | 0 | 0 | 0 | 112.6 | Q1046 T1054 | Q1046-N1050 PolarHBondContact O-N 3.33Å; Q1046-N1050 PolarHBondContact O-OD1 2.73Å; Q1046-N1050 VanDerWaalsContact O-OD1 3.06Å; N1050-T1054 WeakPolarHBondContact O-CB 3.5Å; N1050-T1054 WeakPolarHBondContact O-CG2 3.42Å; N1050-T1054 PolarHBondContact O-N 3.43Å; N1050-T1054 PolarHBondContact O-OG1 3.03Å |
| 1051 | R | 85.6 | Confident | 80.6 | Confident | 191 Ų | 191 | 109.2 Ų | 109.2 | 72% | 0.721 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.7 | -26.3 | 174 | -81.3 | 178.7 | 174.3 | -167.8 | -1 | 113.4 | R1047 Q1048 L1049 T1054 R1055 | R1047-R1051 WeakPolarHBondContact O-CB 3.44Å; R1047-R1051 WeakPolarHBondContact O-CD 3.47Å; R1047-R1051 VanDerWaalsContact O-CG 3.27Å; R1047-R1051 WeakPolarHBondContact O-CG 3.48Å; Q1048-R1051 WeakPolarHBondContact O-CB 3.5Å; Q1048-R1051 PolarHBondContact O-N 3.03Å; L1049-R1051 PolarHBondContact O-N 2.87Å; R1051-T1054 WeakPolarHBondContact CA-OG1 3.46Å; R1051-T1054 PolarHBondContact O-OG1 3.37Å; R1051-R1055 WeakPolarHBondContact O-CG 3.39Å; R1051-R1055 PolarHBondContact O-N 3.22Å |
| 1052 | L | 79.9 | Confident | 80.9 | Confident | 118 Ų | 118 | 104 Ų | 104 | 62% | 0.618 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -83.5 | -42 | 176.5 | -164.4 | 151.7 | 0 | 0 | 0 | 110.4 | Q1048 L1049 R1055 L1056 | Q1048-L1052 PolarHBondContact O-N 2.89Å; L1049-L1052 PolarHBondContact O-N 3.06Å; L1052-R1055 PolarHBondContact O-N 3.03Å; L1052-L1056 WeakPolarHBondContact O-CB 3.4Å; L1052-L1056 PolarHBondContact O-N 2.88Å |
| 1053 | E | 83.6 | Confident | 81.2 | Confident | 120 Ų | 120 | 102.2 Ų | 102.2 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.4 | -49 | 172.4 | -178.5 | 178.1 | -156.4 | 0 | 0 | 112.2 | L1049 R1055 L1056 S1057 | L1049-E1053 PolarHBondContact O-N 3.37Å; E1053-R1055 PolarHBondContact O-N 3.27Å; E1053-L1056 PolarHBondContact O-N 2.98Å; E1053-S1057 WeakPolarHBondContact O-CB 3.5Å; E1053-S1057 PolarHBondContact O-N 3.24Å |
| 1054 | T | 84.4 | Confident | 80.9 | Confident | 86 Ų | 86 | 102.8 Ų | 102.8 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 177.2 | 43.4 | 0 | 0 | 0 | 0 | 112.7 | N1050 R1051 S1057 A1058 | N1050-T1054 WeakPolarHBondContact O-CB 3.5Å; N1050-T1054 WeakPolarHBondContact O-CG2 3.42Å; N1050-T1054 PolarHBondContact O-N 3.43Å; N1050-T1054 PolarHBondContact O-OG1 3.03Å; R1051-T1054 WeakPolarHBondContact CA-OG1 3.46Å; R1051-T1054 PolarHBondContact O-OG1 3.37Å; T1054-S1057 PolarHBondContact O-N 3.03Å; T1054-S1057 PolarHBondContact O-OG 3.31Å; T1054-A1058 PolarHBondContact O-N 3.07Å |
| 1055 | R | 84.1 | Confident | 80.7 | Confident | 188 Ų | 188 | 107.3 Ų | 107.3 | 71% | 0.709 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.1 | -49.7 | 171.4 | -79.3 | -178.2 | 170.9 | -166.3 | -4.5 | 112.3 | R1051 L1052 E1053 S1057 A1058 D1059 | R1051-R1055 WeakPolarHBondContact O-CG 3.39Å; R1051-R1055 PolarHBondContact O-N 3.22Å; L1052-R1055 PolarHBondContact O-N 3.03Å; E1053-R1055 PolarHBondContact O-N 3.27Å; R1055-S1057 PolarHBondContact O-N 3.26Å; R1055-A1058 PolarHBondContact O-N 2.85Å; R1055-D1059 PolarHBondContact O-N 3.06Å |
| 1056 | L | 76.4 | Confident | 80.5 | Confident | 104 Ų | 104 | 107.3 Ų | 107.3 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.3 | -37 | 179.3 | -160.9 | 85.1 | 0 | 0 | 0 | 111.7 | L1052 E1053 M1060 | L1052-L1056 WeakPolarHBondContact O-CB 3.4Å; L1052-L1056 PolarHBondContact O-N 2.88Å; E1053-L1056 PolarHBondContact O-N 2.98Å; L1056-M1060 WeakPolarHBondContact O-CB 3.49Å; L1056-M1060 WeakPolarHBondContact O-CG 3.48Å; L1056-M1060 PolarHBondContact O-N 2.75Å |
| 1057 | S | 82.7 | Confident | 79.8 | Confident | 70 Ų | 70 | 106.5 Ų | 106.5 | 49% | 0.49 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 176.3 | 76.9 | 0 | 0 | 0 | 0 | 113.1 | E1053 T1054 R1055 A1061 | E1053-S1057 WeakPolarHBondContact O-CB 3.5Å; E1053-S1057 PolarHBondContact O-N 3.24Å; T1054-S1057 PolarHBondContact O-N 3.03Å; T1054-S1057 PolarHBondContact O-OG 3.31Å; R1055-S1057 PolarHBondContact O-N 3.26Å; S1057-A1061 WeakPolarHBondContact O-CB 3.38Å; S1057-A1061 PolarHBondContact O-N 2.72Å |
| 1058 | A | 85.4 | Confident | 79 | Confident | 50 Ų | 50 | 106.5 Ų | 106.5 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.8 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | T1054 R1055 A1061 T1062 | T1054-A1058 PolarHBondContact O-N 3.07Å; R1055-A1058 PolarHBondContact O-N 2.85Å; A1058-A1061 PolarHBondContact O-N 2.9Å; A1058-T1062 WeakPolarHBondContact O-CG2 3.27Å; A1058-T1062 PolarHBondContact O-N 2.87Å; A1058-T1062 PolarHBondContact O-OG1 3.24Å |
| 1059 | D | 84.6 | Confident | 77.6 | Confident | 98 Ų | 98 | 110.2 Ų | 110.2 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -41.8 | 175 | -64 | -23.7 | 0 | 0 | 0 | 110.5 | R1055 A1061 T1062 V1063 | R1055-D1059 PolarHBondContact O-N 3.06Å; D1059-A1061 PolarHBondContact O-N 3.31Å; D1059-T1062 PolarHBondContact O-N 3.41Å; D1059-T1062 PolarHBondContact O-OG1 3.01Å; D1059-V1063 WeakPolarHBondContact O-CB 3.41Å; D1059-V1063 VanDerWaalsContact O-CG2 3.27Å; D1059-V1063 WeakPolarHBondContact O-CG2 3.39Å; D1059-V1063 PolarHBondContact O-N 3.22Å |
| 1060 | M | 78.3 | Confident | 76.3 | Confident | 116 Ų | 116 | 112.3 Ų | 112.3 | 57% | 0.571 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.9 | -42.5 | 170.2 | -83.8 | -169.9 | 64.6 | 0 | 0 | 112.8 | L1056 V1063 L1064 | L1056-M1060 WeakPolarHBondContact O-CB 3.49Å; L1056-M1060 WeakPolarHBondContact O-CG 3.48Å; L1056-M1060 PolarHBondContact O-N 2.75Å; M1060-V1063 PolarHBondContact O-N 3.22Å; M1060-L1064 WeakPolarHBondContact O-CB 3.26Å; M1060-L1064 VanDerWaalsContact O-CG 3.3Å; M1060-L1064 WeakPolarHBondContact O-CG 3.47Å; M1060-L1064 PolarHBondContact O-N 3.49Å |
| 1061 | A | 81.3 | Confident | 74.5 | Confident | 55 Ų | 55 | 116.5 Ų | 116.5 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.3 | -43.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1057 A1058 D1059 L1064 Q1065 | S1057-A1061 WeakPolarHBondContact O-CB 3.38Å; S1057-A1061 PolarHBondContact O-N 2.72Å; A1058-A1061 PolarHBondContact O-N 2.9Å; D1059-A1061 PolarHBondContact O-N 3.31Å; A1061-L1064 PolarHBondContact O-N 2.87Å; A1061-Q1065 WeakPolarHBondContact O-CB 3.34Å; A1061-Q1065 PolarHBondContact O-N 2.98Å |
| 1062 | T | 82.1 | Confident | 72.6 | Confident | 70 Ų | 70 | 113 Ų | 113 | 43% | 0.429 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69 | -38.4 | 176.7 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | A1058 D1059 Q1065 L1066 | A1058-T1062 WeakPolarHBondContact O-CG2 3.27Å; A1058-T1062 PolarHBondContact O-N 2.87Å; A1058-T1062 PolarHBondContact O-OG1 3.24Å; D1059-T1062 PolarHBondContact O-N 3.41Å; D1059-T1062 PolarHBondContact O-OG1 3.01Å; T1062-Q1065 PolarHBondContact O-N 3.01Å; T1062-L1066 WeakPolarHBondContact O-CB 3.49Å; T1062-L1066 VanDerWaalsContact O-CG 3.31Å; T1062-L1066 WeakPolarHBondContact O-CG 3.31Å; T1062-L1066 PolarHBondContact O-N 2.93Å |
| 1063 | V | 79.9 | Confident | 70.9 | Confident | 81 Ų | 81 | 114.7 Ų | 114.7 | 49% | 0.491 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.2 | -44.1 | 172.7 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | D1059 M1060 Q1065 L1066 L1067 | D1059-V1063 WeakPolarHBondContact O-CB 3.41Å; D1059-V1063 VanDerWaalsContact O-CG2 3.27Å; D1059-V1063 WeakPolarHBondContact O-CG2 3.39Å; D1059-V1063 PolarHBondContact O-N 3.22Å; M1060-V1063 PolarHBondContact O-N 3.22Å; V1063-Q1065 VanDerWaalsContact C-N 3.33Å; V1063-Q1065 PolarHBondContact O-N 3.43Å; V1063-L1066 PolarHBondContact O-N 3.48Å; V1063-L1067 HydrophobicContact CG1-CD1 3.98Å; V1063-L1067 WeakPolarHBondContact O-CG 3.29Å; V1063-L1067 PolarHBondContact O-N 2.94Å |
| 1064 | L | 73.5 | Confident | 68.7 | Low | 100 Ų | 100 | 114.8 Ų | 114.8 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.5 | -40.1 | 175.1 | -73.9 | 169.5 | 0 | 0 | 0 | 111.9 | M1060 A1061 L1067 Q1068 | M1060-L1064 WeakPolarHBondContact O-CB 3.26Å; M1060-L1064 VanDerWaalsContact O-CG 3.3Å; M1060-L1064 WeakPolarHBondContact O-CG 3.47Å; M1060-L1064 PolarHBondContact O-N 3.49Å; A1061-L1064 PolarHBondContact O-N 2.87Å; L1064-L1067 PolarHBondContact O-N 3.45Å; L1064-Q1068 WeakPolarHBondContact O-CG 3.45Å; L1064-Q1068 PolarHBondContact O-N 2.94Å |
| 1065 | Q | 76 | Confident | 66.5 | Low | 134 Ų | 134 | 116 Ų | 116 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.5 | -36 | 177.2 | -163.9 | 175 | 27.3 | 0 | 0 | 112.3 | A1061 T1062 V1063 R1069 | A1061-Q1065 WeakPolarHBondContact O-CB 3.34Å; A1061-Q1065 PolarHBondContact O-N 2.98Å; T1062-Q1065 PolarHBondContact O-N 3.01Å; V1063-Q1065 VanDerWaalsContact C-N 3.33Å; V1063-Q1065 PolarHBondContact O-N 3.43Å; Q1065-R1069 VanDerWaalsContact O-CB 3.29Å; Q1065-R1069 WeakPolarHBondContact O-CB 3.27Å; Q1065-R1069 PolarHBondContact O-N 2.98Å; Q1065-R1069 VanDerWaalsContact O-N 3.09Å |
| 1066 | L | 72.6 | Confident | 64.4 | Low | 110 Ų | 110 | 113.2 Ų | 113.2 | 58% | 0.576 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67 | -43.5 | 172.7 | -73.7 | 167.7 | 0 | 0 | 0 | 111.8 | T1062 V1063 R1069 Q1070 | T1062-L1066 WeakPolarHBondContact O-CB 3.49Å; T1062-L1066 VanDerWaalsContact O-CG 3.31Å; T1062-L1066 WeakPolarHBondContact O-CG 3.31Å; T1062-L1066 PolarHBondContact O-N 2.93Å; V1063-L1066 PolarHBondContact O-N 3.48Å; L1066-R1069 PolarHBondContact O-N 3.46Å; L1066-Q1070 PolarHBondContact O-N 2.89Å |
| 1067 | L | 61.4 | Low | 62.4 | Low | 93 Ų | 93 | 112.5 Ų | 112.5 | 49% | 0.487 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.2 | -45 | 176.6 | -73.3 | 168 | 0 | 0 | 0 | 112 | V1063 L1064 R1069 Q1070 M1071 | V1063-L1067 HydrophobicContact CG1-CD1 3.98Å; V1063-L1067 WeakPolarHBondContact O-CG 3.29Å; V1063-L1067 PolarHBondContact O-N 2.94Å; L1064-L1067 PolarHBondContact O-N 3.45Å; L1067-R1069 VanDerWaalsContact C-N 3.27Å; L1067-R1069 PolarHBondContact O-N 3.27Å; L1067-Q1070 PolarHBondContact O-N 3.17Å; L1067-M1071 PolarHBondContact O-N 3.29Å; L1067-M1071 VanDerWaalsContact O-N 3.16Å |
| 1068 | Q | 65.5 | Low | 60.1 | Low | 142 Ų | 142 | 120.3 Ų | 120.3 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -59.5 | -38.9 | 173.2 | -77.3 | -172.3 | -48.1 | 0 | 0 | 112 | L1064 Q1070 M1071 | L1064-Q1068 WeakPolarHBondContact O-CG 3.45Å; L1064-Q1068 PolarHBondContact O-N 2.94Å; Q1068-Q1070 VanDerWaalsContact C-N 3.32Å; Q1068-Q1070 PolarHBondContact O-N 3.3Å; Q1068-M1071 PolarHBondContact O-N 3.09Å |
| 1069 | R | 56.2 | Low | 57.3 | Low | 207 Ų | 207 | 123.8 Ų | 123.8 | 78% | 0.781 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.1 | -19.4 | 179.3 | -168.4 | 172.8 | 178.2 | -171.2 | -1.8 | 113.9 | Q1065 L1066 L1067 | Q1065-R1069 VanDerWaalsContact O-CB 3.29Å; Q1065-R1069 WeakPolarHBondContact O-CB 3.27Å; Q1065-R1069 PolarHBondContact O-N 2.98Å; Q1065-R1069 VanDerWaalsContact O-N 3.09Å; L1066-R1069 PolarHBondContact O-N 3.46Å; L1067-R1069 VanDerWaalsContact C-N 3.27Å; L1067-R1069 PolarHBondContact O-N 3.27Å |
| 1070 | Q | 48.4 | Very low | 54.9 | Low | 148 Ų | 148 | 123.9 Ų | 123.9 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -83.2 | -29.5 | 169.4 | -75.5 | -175 | -34.7 | 0 | 0 | 112.9 | L1066 L1067 Q1068 T1072 | L1066-Q1070 PolarHBondContact O-N 2.89Å; L1067-Q1070 PolarHBondContact O-N 3.17Å; Q1068-Q1070 VanDerWaalsContact C-N 3.32Å; Q1068-Q1070 PolarHBondContact O-N 3.3Å; Q1070-T1072 VanDerWaalsContact C-N 3.27Å; Q1070-T1072 PolarHBondContact O-N 3.03Å |
| 1071 | M | 43.7 | Very low | 52.6 | Low | 165 Ų | 165 | 124.4 Ų | 124.4 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -72.4 | -10.6 | -175.3 | -92.3 | -177.1 | 166.8 | 0 | 0 | 115.5 | L1067 Q1068 L1073 | L1067-M1071 PolarHBondContact O-N 3.29Å; L1067-M1071 VanDerWaalsContact O-N 3.16Å; Q1068-M1071 PolarHBondContact O-N 3.09Å; M1071-L1073 VanDerWaalsContact C-N 3.3Å; M1071-L1073 PolarHBondContact O-N 3.21Å |
| 1072 | T | 44.3 | Very low | 50.1 | Low | 117 Ų | 117 | 128.4 Ų | 128.4 | 72% | 0.718 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -83.8 | 8 | -177.6 | 55.4 | 0 | 0 | 0 | 0 | 115.1 | Q1070 | Q1070-T1072 VanDerWaalsContact C-N 3.27Å; Q1070-T1072 PolarHBondContact O-N 3.03Å |
| 1073 | L | 44.9 | Very low | 47.7 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -122 | 12.6 | -172.8 | -140.4 | 80.6 | 0 | 0 | 0 | 116.1 | M1071 | M1071-L1073 VanDerWaalsContact C-N 3.3Å; M1071-L1073 PolarHBondContact O-N 3.21Å |
| 1074 | V | 37 | Very low | 45.6 | Very low | 122 Ų | 122 | 133 Ų | 133 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | trans | -134 | 115.7 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1075 | P | 37.3 | Very low | 43.4 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | trans | -75.6 | 136.9 | 173.4 | 30.4 | -32.9 | 0 | 0 | 0 | 111 | A1077 | P1075-A1077 PolarHBondContact O-N 2.81Å; P1075-A1077 VanDerWaalsContact O-N 3.15Å | ||
| 1076 | P | 40.1 | Very low | 41.9 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 84% | 0.844 | 76% | 0.762 | S | S | * | * | trans | -76.4 | 103.3 | -178.1 | 29.7 | -34.3 | 0 | 0 | 0 | 112 | Y1078 | P1076-Y1078 PolarHBondContact O-N 3.49Å; P1076-Y1078 VanDerWaalsContact O-N 3.13Å | ||
| 1077 | A | 34.9 | Very low | 39.6 | Very low | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -81.2 | 84.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1075 | P1075-A1077 PolarHBondContact O-N 2.81Å; P1075-A1077 VanDerWaalsContact O-N 3.15Å | ||
| 1078 | Y | 34.5 | Very low | 38.6 | Very low | 234 Ų | 234 | 131.2 Ų | 131.2 | 92% | 0.918 | 78% | 0.783 | S | S | * | * | trans | -155.6 | 85.3 | 158 | -88.3 | -61.8 | 0 | 0 | 0 | 112 | P1076 | P1076-Y1078 PolarHBondContact O-N 3.49Å; P1076-Y1078 VanDerWaalsContact O-N 3.13Å | ||
| 1079 | S | 27.8 | Very low | 36.8 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -109.7 | 107.3 | 165.3 | -71 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1080 | A | 33.3 | Very low | 35.4 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -76.7 | 144.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1081 | V | 29.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -79.5 | 131.6 | -176.8 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | T1083 | V1081-T1083 HydrophobicContact CG1-CG2 3.96Š| ||
| 1082 | T | 29.5 | Very low | 33.6 | Very low | 139 Ų | 139 | 122.6 Ų | 122.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -131.5 | 107.2 | 161.3 | 52 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1083 | T | 31.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 122 Ų | 122 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -91.2 | 136.9 | 176.8 | 45.7 | 0 | 0 | 0 | 0 | 112 | V1081 | V1081-T1083 HydrophobicContact CG1-CG2 3.96Š| ||
| 1084 | P | 35.1 | Very low | 32.9 | Very low | 126 Ų | 126 | 122 Ų | 122 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -70.4 | 172.1 | 170.5 | -18.8 | 33.1 | 0 | 0 | 0 | 114.3 | ||||
| 1085 | G | 28.9 | Very low | 32.6 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -78.2 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1086 | P | 42.7 | Very low | 32.8 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | trans | -94.8 | 147.5 | -159.4 | 35.7 | -36.1 | 0 | 0 | 0 | 116.2 | ||||
| 1087 | G | 25.6 | Very low | 32.3 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -169.1 | 152.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1088 | P | 40.2 | Very low | 32 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -114.5 | 148.4 | -126.2 | 39.1 | -34.8 | 0 | 0 | 0 | 118.8 | |||||
| 1089 | T | 27.1 | Very low | 32.1 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | 50.9 | 114.4 | 143.7 | 57.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1090 | S | 28.1 | Very low | 32.3 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | -170.8 | 125.8 | 123.7 | 60.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1091 | T | 28.4 | Very low | 32.4 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 28.9 | 117.1 | 146.1 | 54.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1092 | S | 25.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | -6.2 | 177.6 | 127.7 | -15.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 1093 | P | 43 | Very low | 32.1 | Very low | 104 Ų | 104 | 121 Ų | 121 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | cis | -146.3 | 169.9 | -1.7 | 41.1 | -21.5 | 0 | 0 | 0 | 119.1 | ||||
| 1094 | L | 30.5 | Very low | 31.8 | Very low | 155 Ų | 155 | 120.7 Ų | 120.7 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | 65.4 | 160.3 | 145.1 | -70.5 | 164.8 | 0 | 0 | 0 | 119.3 | ||||
| 1095 | L | 32 | Very low | 31.4 | Very low | 147 Ų | 147 | 121.3 Ų | 121.3 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | cis | -149 | -161.4 | 2 | -120.4 | 178.5 | 0 | 0 | 0 | 110.2 | ||||
| 1096 | P | 41.3 | Very low | 31.3 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | -127.7 | -168.4 | -148.3 | 45 | -24.5 | 0 | 0 | 0 | 116.1 | ||||
| 1097 | V | 28.3 | Very low | 30.5 | Very low | 147 Ų | 147 | 123 Ų | 123 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | trans | -156 | 164.4 | 147.4 | 128.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1098 | S | 29.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -124.1 | -151.2 | -158.8 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1099 | P | 35.9 | Very low | 29.9 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | -127.7 | 172.1 | -122.3 | 36.7 | -15 | 0 | 0 | 0 | 118.2 | |||||
| 1100 | L | 33.4 | Very low | 29.9 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 31 | 138.8 | 148.8 | -81 | 159.1 | 0 | 0 | 0 | 121.8 | T1102 | L1100-T1102 HydrophobicContact CD2-CG2 4.49Š| ||
| 1101 | P | 33.8 | Very low | 29.8 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | -139.7 | 175.5 | 103.8 | 39.1 | -27.6 | 0 | 0 | 0 | 116.4 | |||||
| 1102 | T | 28 | Very low | 29.5 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | -109.5 | 168.5 | -172.8 | 49.3 | 0 | 0 | 0 | 0 | 114.3 | L1100 | L1100-T1102 HydrophobicContact CD2-CG2 4.49Š| ||
| 1103 | L | 25.2 | Very low | 29.6 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | 171.7 | 115.1 | 140.7 | -88.3 | 162.2 | 0 | 0 | 0 | 107.9 | ||||
| 1104 | T | 26.2 | Very low | 28.7 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | 59.9 | 139.6 | 89.3 | 66.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1105 | L | 26.7 | Very low | 28.4 | Very low | 139 Ų | 139 | 136 Ų | 136 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | cis | -158.9 | 179.3 | 3.4 | -152.3 | 63.6 | 0 | 0 | 0 | 111.4 | ||||
| 1106 | D | 25.8 | Very low | 28 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | 85.4 | 152 | 149.6 | -68.7 | -37.3 | 0 | 0 | 0 | 123.9 | ||||
| 1107 | S | 27.4 | Very low | 27.2 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 64.8 | 78.9 | 167.7 | -64.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1108 | L | 28.1 | Very low | 27.1 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | 174.6 | 125.2 | 86.1 | -96.9 | 164.2 | 0 | 0 | 0 | 112.3 | |||||
| 1109 | S | 23.7 | Very low | 26.9 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -135 | 117.5 | 165.5 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1110 | Q | 26.8 | Very low | 26.4 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -163.4 | 148.2 | 159.3 | -119.7 | 172 | 23.4 | 0 | 0 | 113.5 | ||||
| 1111 | V | 26.2 | Very low | 26.7 | Very low | 126 Ų | 126 | 141 Ų | 141 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | 55.4 | 99.4 | 166.7 | -167.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1112 | S | 23.4 | Very low | 27.3 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -104 | 172.4 | 134.9 | 57.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1113 | Q | 26 | Very low | 27.3 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 92.8 | 159 | 179.1 | -53.9 | -174.9 | -7.6 | 0 | 0 | 117.2 | ||||
| 1114 | F | 24.1 | Very low | 27.4 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | 69 | 145.2 | -173.3 | -68.2 | -101.6 | 0 | 0 | 0 | 117.3 | ||||
| 1115 | M | 25.3 | Very low | 28.4 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | cis | -157.1 | -161.1 | -44.8 | -138.3 | -153 | -67.6 | 0 | 0 | 110 | ||||
| 1116 | A | 23.7 | Very low | 28.5 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -57.1 | 159.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1117 | C | 24 | Very low | 28.8 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 91% | 0.912 | 81% | 0.807 | S | S | * | * | trans | -107.3 | 128.2 | 158.3 | -69.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1118 | E | 26.3 | Very low | 29.9 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -121.1 | -176.5 | 176.2 | -162.7 | 163.5 | -163.4 | 0 | 0 | 109.5 | ||||
| 1119 | E | 24.6 | Very low | 29.9 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -71 | 170 | -165.3 | -56.6 | -175.2 | 128.3 | 0 | 0 | 115.5 | ||||
| 1120 | L | 26.5 | Very low | 30.2 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -132.9 | 124.1 | 177.4 | -142.5 | 179.2 | 0 | 0 | 0 | 109.1 | ||||
| 1121 | P | 39.6 | Very low | 30.2 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | -149.8 | -177.7 | 128.9 | 38.3 | -22.6 | 0 | 0 | 0 | 112.9 | |||||
| 1122 | P | 45.4 | Very low | 31.6 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | cis | -128.6 | 170.2 | -38.4 | 32.6 | -16.4 | 0 | 0 | 0 | 112.6 | ||||
| 1123 | G | 27.3 | Very low | 32 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 170.4 | 133.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1124 | A | 28.7 | Very low | 32.2 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -124.7 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1125 | P | 47.4 | Very low | 32.6 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | cis | -118.9 | -151.7 | 2.5 | 26.9 | -0.6 | 0 | 0 | 0 | 110.4 | ||||
| 1126 | E | 28.9 | Very low | 32.8 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | cis | -138.3 | -129.7 | 14.1 | -67.8 | -172.6 | 70.9 | 0 | 0 | 113.2 | ||||
| 1127 | L | 32.3 | Very low | 33 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -143.2 | 179.6 | -167.7 | -83.9 | 93.9 | 0 | 0 | 0 | 108.3 | ||||
| 1128 | P | 49.6 | Very low | 33.6 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | -138.4 | -156.7 | -47.4 | 39.9 | -21.6 | 0 | 0 | 0 | 112.5 | ||||
| 1129 | Q | 28.9 | Very low | 34.9 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 94.1 | 135.3 | 144.4 | -90.2 | 179.7 | -65.6 | 0 | 0 | 123.7 | ||||
| 1130 | D | 28.3 | Very low | 35.3 | Very low | 138 Ų | 138 | 131 Ų | 131 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 44.9 | 116.4 | 141.3 | -52.8 | -19.5 | 0 | 0 | 0 | 119.8 | ||||
| 1131 | G | 27.5 | Very low | 35.5 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | 130 | 173.5 | 69.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1132 | P | 55.9 | Low | 35.2 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -129.3 | 170.4 | -156.5 | 32.6 | -13 | 0 | 0 | 0 | 117.9 | ||||
| 1133 | T | 31.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 120.3 | 130.2 | 140.5 | 71.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1134 | R | 30.5 | Very low | 34.7 | Very low | 211 Ų | 211 | 133.1 Ų | 133.1 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 78.7 | 139.4 | 131.9 | -85.5 | 174.7 | 169.4 | 179.7 | -0.6 | 124.2 | ||||
| 1135 | R | 31.5 | Very low | 35 | Very low | 210 Ų | 210 | 135.8 Ų | 135.8 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | 74.6 | 152.6 | 150.2 | -73.3 | 177.1 | 179 | -142.4 | -1.2 | 116.9 | ||||
| 1136 | L | 30.7 | Very low | 34.2 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | cis | -138.4 | -156.4 | -1.8 | -114 | 158.6 | 0 | 0 | 0 | 108.5 | ||||
| 1137 | S | 28.2 | Very low | 34.3 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -151.5 | -153.6 | 12.3 | 67.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1138 | L | 36.6 | Very low | 34.1 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -156.6 | 161.7 | 173.4 | -115.3 | 167.7 | 0 | 0 | 0 | 109.4 | ||||
| 1139 | P | 52.5 | Low | 33.8 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | -150.3 | -169.4 | 79.6 | 39.3 | -18.3 | 0 | 0 | 0 | 114.5 | |||||
| 1140 | G | 32.3 | Very low | 33.8 | Very low | 67 Ų | 67 | 136.3 Ų | 136.3 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | cis | 147.2 | 59.9 | -18 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1141 | Q | 31.1 | Very low | 33.9 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -140.8 | 133.7 | 165.4 | -74.1 | -174.4 | -28.2 | 0 | 0 | 110.1 | ||||
| 1142 | L | 33.9 | Very low | 34.1 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | cis | 91.3 | 125.7 | 47.9 | -91.7 | 161.9 | 0 | 0 | 0 | 113.5 | ||||
| 1143 | G | 27.5 | Very low | 33 | Very low | 62 Ų | 62 | 146.1 Ų | 146.1 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | cis | -155.2 | 165.2 | -0.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1144 | A | 34.6 | Very low | 33 | Very low | 98 Ų | 98 | 143.9 Ų | 143.9 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | 97.4 | 145.7 | 95.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1145 | L | 36 | Very low | 33 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | cis | -164.5 | 135.7 | 0.1 | -116.6 | 168.5 | 0 | 0 | 0 | 106 | ||||
| 1146 | T | 30.5 | Very low | 33.3 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 173.3 | 168.2 | 76.2 | 31 | 0 | 0 | 0 | 0 | 108 | |||||
| 1147 | S | 30.1 | Very low | 34.3 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | cis | -166.8 | 137.2 | -19.2 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1148 | Q | 29 | Very low | 34.4 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | 59.1 | 124.6 | 156.7 | -63.7 | -173.4 | -1.9 | 0 | 0 | 122.7 | ||||
| 1149 | P | 41.7 | Very low | 34.2 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | -115.6 | 169.3 | 146.2 | 38.4 | -29.6 | 0 | 0 | 0 | 112.7 | ||||
| 1150 | L | 29.6 | Very low | 33.3 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -114.9 | 139.4 | -177.6 | -125.1 | 168.3 | 0 | 0 | 0 | 112.5 | ||||
| 1151 | H | 30.3 | Very low | 33.4 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 79% | 0.787 | 83% | 0.827 | S | S | * | * | trans | -91.8 | 144 | -178.1 | -110.7 | -76.4 | 0 | 0 | 0 | 112.6 | ||||
| 1152 | R | 32.3 | Very low | 33.5 | Very low | 211 Ų | 211 | 137.1 Ų | 137.1 | 80% | 0.796 | 82% | 0.823 | S | S | * | * | -179.5 | 164.1 | 109.5 | -100.2 | -170.8 | 141.4 | 154 | -3.8 | 115.6 | |||||
| 1153 | H | 32.6 | Very low | 33.5 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 70% | 0.704 | 82% | 0.819 | S | S | * | * | trans | -28.5 | 161.9 | 172.8 | -41 | -71.7 | 0 | 0 | 0 | 117.8 | ||||
| 1154 | G | 31.6 | Very low | 33.9 | Very low | 74 Ų | 74 | 139.6 Ų | 139.6 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | cis | 153.6 | -172.5 | 9.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1155 | S | 31.2 | Very low | 33.8 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 71% | 0.713 | 83% | 0.831 | S | S | * | * | cis | -176.2 | 125.8 | -13 | 43.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1156 | D | 36.2 | Very low | 33.7 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | trans | 59.7 | 164.8 | 159.3 | -70 | -23.6 | 0 | 0 | 0 | 119.9 | ||||
| 1157 | P | 53.1 | Low | 33.9 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 84% | 0.839 | S | S | * | * | cis | -136.2 | 166.6 | -39.6 | 36.4 | -21.6 | 0 | 0 | 0 | 114.4 | ||||
| 1158 | G | 30.1 | Very low | 34.2 | Very low | 71 Ų | 71 | 146.8 Ų | 146.8 | 73% | 0.732 | 85% | 0.852 | S | S | * | * | trans | 99.9 | 79.9 | 135 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1159 | S | 33 | Very low | 34.7 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 100% | 1.441 | 85% | 0.849 | S | S | * | * | trans | -164.3 | 0 | 134.2 | -76.6 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 1,159 of 1,159 residues in 852.4 ms
(Link to these results)