| 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 | 59.6 | Low | 72.1 | Confident | 185 Ų | 185 | 117.3 Ų | 117.3 | 91% | 0.911 | 57% | 0.565 | S | S | * | * | 0 | -68 | 0 | -70.6 | -57.8 | -80.8 | 0 | 0 | 110.2 | L3 Y4 Q5 | M1-L3 PolarHBondContact O-N 3.48Å; M1-Y4 WeakPolarHBondContact O-CB 3.46Å; M1-Y4 PolarHBondContact O-N 3.36Å; M1-Q5 PolarHBondContact O-N 2.99Å | |||
| 2 | E | 70 | Confident | 72.7 | Confident | 160 Ų | 160 | 115.2 Ų | 115.2 | 75% | 0.748 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -44.7 | -52.7 | -177.6 | -62.3 | 165 | 160 | 0 | 0 | 114.2 | Y4 Q5 Q6 | E2-Y4 PolarHBondContact O-N 3.29Å; E2-Q5 PolarHBondContact O-N 3.25Å; E2-Q6 WeakPolarHBondContact O-CB 3.25Å; E2-Q6 PolarHBondContact O-N 3.17Å |
| 3 | L | 68.8 | Low | 73.5 | Confident | 145 Ų | 145 | 112.8 Ų | 112.8 | 76% | 0.759 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -57.4 | -26.9 | -179.2 | -154 | 98.8 | 0 | 0 | 0 | 114.1 | M1 F7 | M1-L3 PolarHBondContact O-N 3.48Å; L3-F7 PolarHBondContact O-N 3.41Å; L3-F7 VanDerWaalsContact O-N 3.17Å |
| 4 | Y | 71.3 | Confident | 74.2 | Confident | 154 Ų | 154 | 111.8 Ų | 111.8 | 60% | 0.604 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -83.8 | -37.8 | 176.8 | -179.6 | -111.2 | 0 | 0 | 0 | 111.8 | M1 E2 Q6 F7 L8 | M1-Y4 WeakPolarHBondContact O-CB 3.46Å; M1-Y4 PolarHBondContact O-N 3.36Å; E2-Y4 PolarHBondContact O-N 3.29Å; Y4-Q6 VanDerWaalsContact C-N 3.31Å; Y4-F7 PolarHBondContact O-N 3.42Å; Y4-L8 HydrophobicContact CD1-CD1 4.1Å; Y4-L8 HydrophobicContact CE1-CD1 3.68Å; Y4-L8 HydrophobicContact CE1-CG 4.39Å; Y4-L8 WeakPolarHBondContact O-CG 3.33Å; Y4-L8 PolarHBondContact O-N 3.04Å |
| 5 | Q | 72.4 | Confident | 75 | Confident | 122 Ų | 122 | 109.1 Ų | 109.1 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.4 | -38.7 | 169.7 | -71.5 | 174.6 | -43 | 0 | 0 | 111.5 | M1 E2 F7 L8 L9 | M1-Q5 PolarHBondContact O-N 2.99Å; E2-Q5 PolarHBondContact O-N 3.25Å; Q5-F7 VanDerWaalsContact C-N 3.33Å; Q5-L8 PolarHBondContact O-N 3.49Å; Q5-L9 WeakPolarHBondContact O-CB 3.26Å; Q5-L9 PolarHBondContact O-N 2.95Å |
| 6 | Q | 71.1 | Confident | 75.6 | Confident | 126 Ų | 126 | 108.5 Ų | 108.5 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.4 | -33.9 | 176 | -164.2 | 170.6 | 31.6 | 0 | 0 | 112 | E2 Y4 T10 | E2-Q6 WeakPolarHBondContact O-CB 3.25Å; E2-Q6 PolarHBondContact O-N 3.17Å; Y4-Q6 VanDerWaalsContact C-N 3.31Å; Q6-T10 WeakPolarHBondContact O-CB 3.29Å; Q6-T10 PolarHBondContact O-N 2.69Å; Q6-T10 VanDerWaalsContact O-N 3.09Å; Q6-T10 PolarHBondContact O-OG1 3.33Å |
| 7 | F | 71.6 | Confident | 76.1 | Confident | 107 Ų | 107 | 108.2 Ų | 108.2 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.1 | -51.6 | 171.3 | -174.8 | -88.8 | 0 | 0 | 0 | 111.7 | L3 Y4 Q5 L9 T10 E11 | L3-F7 PolarHBondContact O-N 3.41Å; L3-F7 VanDerWaalsContact O-N 3.17Å; Y4-F7 PolarHBondContact O-N 3.42Å; Q5-F7 VanDerWaalsContact C-N 3.33Å; F7-L9 PolarHBondContact O-N 2.79Å; F7-T10 WeakPolarHBondContact O-CA 3.34Å; F7-T10 WeakPolarHBondContact O-CB 3.46Å; F7-T10 PolarHBondContact O-N 2.77Å; F7-E11 PolarHBondContact O-N 2.92Å |
| 8 | L | 74.4 | Confident | 76.7 | Confident | 67 Ų | 67 | 107 Ų | 107 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 177.4 | -70.5 | 170.9 | 0 | 0 | 0 | 112.1 | Y4 Q5 T10 E11 D12 | Y4-L8 HydrophobicContact CD1-CD1 4.1Å; Y4-L8 HydrophobicContact CE1-CD1 3.68Å; Y4-L8 HydrophobicContact CE1-CG 4.39Å; Y4-L8 WeakPolarHBondContact O-CG 3.33Å; Y4-L8 PolarHBondContact O-N 3.04Å; Q5-L8 PolarHBondContact O-N 3.49Å; L8-T10 PolarHBondContact O-N 3.26Å; L8-E11 WeakPolarHBondContact O-CB 3.18Å; L8-E11 PolarHBondContact O-N 3.39Å; L8-D12 PolarHBondContact O-N 3.18Å |
| 9 | L | 76.2 | Confident | 77.2 | Confident | 107 Ų | 107 | 106.1 Ų | 106.1 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.8 | -35.3 | 176.1 | -172.3 | 68.6 | 0 | 0 | 0 | 112.1 | Q5 F7 I13 | Q5-L9 WeakPolarHBondContact O-CB 3.26Å; Q5-L9 PolarHBondContact O-N 2.95Å; F7-L9 PolarHBondContact O-N 2.79Å; L9-I13 HydrophobicContact CG-CD1 4.13Å; L9-I13 WeakPolarHBondContact O-CB 3.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.42Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 2.62Å; L9-I13 VanDerWaalsContact O-N 3.11Å |
| 10 | T | 78.2 | Confident | 77.6 | Confident | 76 Ų | 76 | 106.7 Ų | 106.7 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.9 | -35.3 | 175 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | Q6 F7 L8 L14 | Q6-T10 WeakPolarHBondContact O-CB 3.29Å; Q6-T10 PolarHBondContact O-N 2.69Å; Q6-T10 VanDerWaalsContact O-N 3.09Å; Q6-T10 PolarHBondContact O-OG1 3.33Å; F7-T10 WeakPolarHBondContact O-CA 3.34Å; F7-T10 WeakPolarHBondContact O-CB 3.46Å; F7-T10 PolarHBondContact O-N 2.77Å; L8-T10 PolarHBondContact O-N 3.26Å; T10-L14 HydrophobicContact CG2-CD1 4.49Å; T10-L14 WeakPolarHBondContact O-CB 3.4Å; T10-L14 PolarHBondContact O-N 3.01Å |
| 11 | E | 79.6 | Confident | 78 | Confident | 41 Ų | 41 | 103.8 Ų | 103.8 | 19% | 0.192 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65.9 | -47.4 | 176.2 | -163.3 | -173.3 | 135.6 | 0 | 0 | 111.7 | F7 L8 I13 L14 K15 | F7-E11 PolarHBondContact O-N 2.92Å; L8-E11 WeakPolarHBondContact O-CB 3.18Å; L8-E11 PolarHBondContact O-N 3.39Å; E11-I13 VanDerWaalsContact C-N 3.35Å; E11-I13 PolarHBondContact O-N 2.9Å; E11-L14 WeakPolarHBondContact O-CB 3.49Å; E11-L14 PolarHBondContact O-N 3.3Å; E11-L14 VanDerWaalsContact O-N 3.17Å; E11-K15 HydrophobicContact CG-CD 4.35Å; E11-K15 WeakPolarHBondContact O-CG 3.19Å; E11-K15 PolarHBondContact O-N 3.48Å; E11-K15 WeakPolarHBondContact OE1-CE 3.31Å; E11-K15 IonicContact OE1-NZ 2.62Å; E11-K15 PolarHBondContact OE1-NZ 2.99Å |
| 12 | D | 79.3 | Confident | 79.3 | Confident | 92 Ų | 92 | 99.1 Ų | 99.1 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 175.7 | -73.8 | -28.4 | 0 | 0 | 0 | 111.9 | L8 K15 N16 | L8-D12 PolarHBondContact O-N 3.18Å; D12-K15 PolarHBondContact O-N 2.84Å; D12-N16 PolarHBondContact O-N 3.34Å; D12-N16 PolarHBondContact O-ND2 3.03Å |
| 13 | I | 83.4 | Confident | 80.1 | Confident | 85 Ų | 85 | 97.3 Ų | 97.3 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 174.2 | -71.8 | 167.3 | 0 | 0 | 0 | 110.9 | L9 E11 N16 I17 | L9-I13 HydrophobicContact CG-CD1 4.13Å; L9-I13 WeakPolarHBondContact O-CB 3.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.42Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 2.62Å; L9-I13 VanDerWaalsContact O-N 3.11Å; E11-I13 VanDerWaalsContact C-N 3.35Å; E11-I13 PolarHBondContact O-N 2.9Å; I13-N16 PolarHBondContact O-N 2.98Å; I13-I17 HydrophobicContact CG2-CD1 3.74Å; I13-I17 VanDerWaalsContact O-CG1 3.28Å; I13-I17 WeakPolarHBondContact O-CG1 3.19Å; I13-I17 PolarHBondContact O-N 3.02Å |
| 14 | L | 82.5 | Confident | 80.9 | Confident | 98 Ų | 98 | 95.6 Ų | 95.6 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.3 | -118.7 | 77 | 0 | 0 | 0 | 111.8 | T10 E11 N16 I17 I18 | T10-L14 HydrophobicContact CG2-CD1 4.49Å; T10-L14 WeakPolarHBondContact O-CB 3.4Å; T10-L14 PolarHBondContact O-N 3.01Å; E11-L14 WeakPolarHBondContact O-CB 3.49Å; E11-L14 PolarHBondContact O-N 3.3Å; E11-L14 VanDerWaalsContact O-N 3.17Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.47Å; L14-I17 PolarHBondContact O-N 2.91Å; L14-I18 WeakPolarHBondContact O-CB 3.36Å; L14-I18 WeakPolarHBondContact O-CD1 3.36Å; L14-I18 VanDerWaalsContact O-CG1 3.25Å; L14-I18 WeakPolarHBondContact O-CG1 3.29Å; L14-I18 PolarHBondContact O-N 3.27Å |
| 15 | K | 86 | Confident | 81.5 | Confident | 72 Ų | 72 | 94 Ų | 94 | 31% | 0.313 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | -180 | -76.7 | 171.7 | 170.4 | 178.1 | 0 | 111.8 | E11 D12 I18 N19 E60 | E11-K15 HydrophobicContact CG-CD 4.35Å; E11-K15 WeakPolarHBondContact O-CG 3.19Å; E11-K15 PolarHBondContact O-N 3.48Å; E11-K15 WeakPolarHBondContact OE1-CE 3.31Å; E11-K15 IonicContact OE1-NZ 2.62Å; E11-K15 PolarHBondContact OE1-NZ 2.99Å; D12-K15 PolarHBondContact O-N 2.84Å; K15-I18 PolarHBondContact O-N 2.89Å; K15-N19 PolarHBondContact O-N 3.27Å; K15-N19 PolarHBondContact O-ND2 3.5Å; K15-E60 WeakPolarHBondContact CE-OE1 3.38Å; K15-E60 IonicContact NZ-OE1 2.69Å; K15-E60 PolarHBondContact NZ-OE1 3.42Å |
| 16 | N | 85.2 | Confident | 82 | Confident | 99 Ų | 99 | 91.2 Ų | 91.2 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 173.9 | -70.2 | -33.6 | 0 | 0 | 0 | 112.3 | D12 I13 L14 I18 N19 D20 | D12-N16 PolarHBondContact O-N 3.34Å; D12-N16 PolarHBondContact O-ND2 3.03Å; I13-N16 PolarHBondContact O-N 2.98Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.47Å; N16-I18 VanDerWaalsContact C-N 3.29Å; N16-I18 PolarHBondContact O-N 2.96Å; N16-N19 PolarHBondContact O-N 2.66Å; N16-N19 VanDerWaalsContact O-N 3.15Å; N16-D20 PolarHBondContact O-N 2.88Å |
| 17 | I | 84.5 | Confident | 82.6 | Confident | 103 Ų | 103 | 88 Ų | 88 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 177.3 | -68.9 | 166.2 | 0 | 0 | 0 | 111.8 | I13 L14 A21 | I13-I17 HydrophobicContact CG2-CD1 3.74Å; I13-I17 VanDerWaalsContact O-CG1 3.28Å; I13-I17 WeakPolarHBondContact O-CG1 3.19Å; I13-I17 PolarHBondContact O-N 3.02Å; L14-I17 PolarHBondContact O-N 2.91Å; I17-A21 WeakPolarHBondContact O-CB 3.36Å; I17-A21 PolarHBondContact O-N 2.93Å |
| 18 | I | 86.1 | Confident | 83.1 | Confident | 87 Ų | 87 | 85.7 Ų | 85.7 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 176.9 | -69.6 | 165 | 0 | 0 | 0 | 111 | L14 K15 N16 A21 K22 | L14-I18 WeakPolarHBondContact O-CB 3.36Å; L14-I18 WeakPolarHBondContact O-CD1 3.36Å; L14-I18 VanDerWaalsContact O-CG1 3.25Å; L14-I18 WeakPolarHBondContact O-CG1 3.29Å; L14-I18 PolarHBondContact O-N 3.27Å; K15-I18 PolarHBondContact O-N 2.89Å; N16-I18 VanDerWaalsContact C-N 3.29Å; N16-I18 PolarHBondContact O-N 2.96Å; I18-A21 PolarHBondContact O-N 3.36Å; I18-K22 WeakPolarHBondContact O-CB 3.36Å; I18-K22 PolarHBondContact O-N 3.47Å |
| 19 | N | 86.2 | Confident | 83.4 | Confident | 90 Ų | 90 | 87.9 Ų | 87.9 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 176 | -79.8 | -30.7 | 0 | 0 | 0 | 112.3 | K15 N16 A21 K22 Q23 | K15-N19 PolarHBondContact O-N 3.27Å; K15-N19 PolarHBondContact O-ND2 3.5Å; N16-N19 PolarHBondContact O-N 2.66Å; N16-N19 VanDerWaalsContact O-N 3.15Å; N19-A21 VanDerWaalsContact C-N 3.31Å; N19-A21 PolarHBondContact O-N 2.88Å; N19-K22 WeakPolarHBondContact O-CB 3.39Å; N19-K22 PolarHBondContact O-N 3.28Å; N19-Q23 WeakPolarHBondContact O-CG 3.31Å; N19-Q23 PolarHBondContact O-N 3.32Å |
| 20 | D | 86.3 | Confident | 83.6 | Confident | 117 Ų | 117 | 89.2 Ų | 89.2 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.4 | -41.6 | 175 | -76.9 | -13.2 | 0 | 0 | 0 | 111.4 | N16 Q23 N24 | N16-D20 PolarHBondContact O-N 2.88Å; D20-Q23 PolarHBondContact O-N 3.04Å; D20-N24 VanDerWaalsContact O-CB 3.28Å; D20-N24 WeakPolarHBondContact O-CB 3.12Å; D20-N24 PolarHBondContact O-N 3.44Å |
| 21 | A | 85.5 | Confident | 83.7 | Confident | 46 Ų | 46 | 92.4 Ų | 92.4 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I17 I18 N19 N24 I25 | I17-A21 WeakPolarHBondContact O-CB 3.36Å; I17-A21 PolarHBondContact O-N 2.93Å; I18-A21 PolarHBondContact O-N 3.36Å; N19-A21 VanDerWaalsContact C-N 3.31Å; N19-A21 PolarHBondContact O-N 2.88Å; A21-N24 PolarHBondContact O-N 3.43Å; A21-I25 WeakPolarHBondContact O-CB 3.31Å; A21-I25 WeakPolarHBondContact O-CD1 3.38Å; A21-I25 VanDerWaalsContact O-CG1 3.24Å; A21-I25 WeakPolarHBondContact O-CG1 3.25Å; A21-I25 PolarHBondContact O-N 2.8Å |
| 22 | K | 85.7 | Confident | 83.6 | Confident | 88 Ų | 88 | 94.7 Ų | 94.7 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 176.2 | -174.2 | 177.6 | 179.3 | 179.7 | 0 | 111.3 | I18 N19 I25 Q26 | I18-K22 WeakPolarHBondContact O-CB 3.36Å; I18-K22 PolarHBondContact O-N 3.47Å; N19-K22 WeakPolarHBondContact O-CB 3.39Å; N19-K22 PolarHBondContact O-N 3.28Å; K22-I25 PolarHBondContact O-N 2.85Å; K22-Q26 WeakPolarHBondContact O-CB 3.33Å; K22-Q26 PolarHBondContact O-N 3.23Å |
| 23 | Q | 87.4 | Confident | 83.3 | Confident | 122 Ų | 122 | 92.4 Ų | 92.4 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.6 | -45.6 | 177.8 | -69.1 | -65.5 | -11.2 | 0 | 0 | 112.1 | N19 D20 I25 Q26 A27 | N19-Q23 WeakPolarHBondContact O-CG 3.31Å; N19-Q23 PolarHBondContact O-N 3.32Å; D20-Q23 PolarHBondContact O-N 3.04Å; Q23-I25 PolarHBondContact O-N 3.27Å; Q23-Q26 PolarHBondContact O-N 2.88Å; Q23-A27 WeakPolarHBondContact O-CB 3.3Å; Q23-A27 PolarHBondContact O-N 2.9Å |
| 24 | N | 84.9 | Confident | 82.9 | Confident | 109 Ų | 109 | 92.1 Ų | 92.1 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | -179.8 | -165.3 | -6.6 | 0 | 0 | 0 | 112 | D20 A21 T28 | D20-N24 VanDerWaalsContact O-CB 3.28Å; D20-N24 WeakPolarHBondContact O-CB 3.12Å; D20-N24 PolarHBondContact O-N 3.44Å; A21-N24 PolarHBondContact O-N 3.43Å; N24-T28 WeakPolarHBondContact O-CB 3.42Å; N24-T28 PolarHBondContact O-N 2.77Å; N24-T28 PolarHBondContact O-OG1 3.49Å |
| 25 | I | 85.1 | Confident | 82.5 | Confident | 119 Ų | 119 | 91.7 Ų | 91.7 | 61% | 0.61 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -44.9 | 172.8 | -69.1 | 165.7 | 0 | 0 | 0 | 111.1 | A21 K22 Q23 T28 F29 | A21-I25 WeakPolarHBondContact O-CB 3.31Å; A21-I25 WeakPolarHBondContact O-CD1 3.38Å; A21-I25 VanDerWaalsContact O-CG1 3.24Å; A21-I25 WeakPolarHBondContact O-CG1 3.25Å; A21-I25 PolarHBondContact O-N 2.8Å; K22-I25 PolarHBondContact O-N 2.85Å; Q23-I25 PolarHBondContact O-N 3.27Å; I25-T28 PolarHBondContact O-N 3.44Å; I25-F29 WeakPolarHBondContact O-CB 3.29Å; I25-F29 PolarHBondContact O-N 2.86Å |
| 26 | Q | 83.3 | Confident | 81.6 | Confident | 65 Ų | 65 | 94.2 Ų | 94.2 | 30% | 0.304 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 179.6 | -162.3 | -178.4 | 18.3 | 0 | 0 | 112.1 | K22 Q23 F29 K30 | K22-Q26 WeakPolarHBondContact O-CB 3.33Å; K22-Q26 PolarHBondContact O-N 3.23Å; Q23-Q26 PolarHBondContact O-N 2.88Å; Q26-F29 PolarHBondContact O-N 2.83Å; Q26-K30 WeakPolarHBondContact O-CG 3.25Å; Q26-K30 PolarHBondContact O-N 2.83Å |
| 27 | A | 83.7 | Confident | 79.7 | Confident | 57 Ų | 57 | 91.9 Ų | 91.9 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q23 F29 K30 E31 | Q23-A27 WeakPolarHBondContact O-CB 3.3Å; Q23-A27 PolarHBondContact O-N 2.9Å; A27-F29 VanDerWaalsContact C-N 3.29Å; A27-F29 PolarHBondContact O-N 2.93Å; A27-K30 PolarHBondContact O-N 3.19Å; A27-E31 PolarHBondContact O-N 3.3Å |
| 28 | T | 82.3 | Confident | 77.9 | Confident | 60 Ų | 60 | 91 Ų | 91 | 37% | 0.368 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | N24 I25 E31 I32 | N24-T28 WeakPolarHBondContact O-CB 3.42Å; N24-T28 PolarHBondContact O-N 2.77Å; N24-T28 PolarHBondContact O-OG1 3.49Å; I25-T28 PolarHBondContact O-N 3.44Å; T28-E31 PolarHBondContact O-N 2.79Å; T28-I32 HydrophobicContact CG2-CD1 3.91Å; T28-I32 WeakPolarHBondContact O-CB 3.49Å; T28-I32 VanDerWaalsContact O-CG1 3.28Å; T28-I32 WeakPolarHBondContact O-CG1 3.31Å; T28-I32 PolarHBondContact O-N 3.47Å |
| 29 | F | 79.1 | Confident | 75.9 | Confident | 112 Ų | 112 | 92.4 Ų | 92.4 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 177.5 | -167.2 | -93 | 0 | 0 | 0 | 112.5 | I25 Q26 A27 I32 T33 V43 | I25-F29 WeakPolarHBondContact O-CB 3.29Å; I25-F29 PolarHBondContact O-N 2.86Å; Q26-F29 PolarHBondContact O-N 2.83Å; A27-F29 VanDerWaalsContact C-N 3.29Å; A27-F29 PolarHBondContact O-N 2.93Å; F29-I32 PolarHBondContact O-N 2.8Å; F29-T33 WeakPolarHBondContact O-CB 3.46Å; F29-T33 PolarHBondContact O-N 3.48Å; F29-T33 PolarHBondContact O-OG1 3.39Å; F29-V43 HydrophobicContact CE1-CG2 4.28Å |
| 30 | K | 81.2 | Confident | 73.8 | Confident | 135 Ų | 135 | 97.3 Ų | 97.3 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.8 | -43.3 | 172.6 | -75.2 | 176 | 178 | 176.7 | 0 | 111.6 | Q26 A27 T33 A34 | Q26-K30 WeakPolarHBondContact O-CG 3.25Å; Q26-K30 PolarHBondContact O-N 2.83Å; A27-K30 PolarHBondContact O-N 3.19Å; K30-T33 PolarHBondContact O-N 3.47Å; K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 3.35Å |
| 31 | E | 81.2 | Confident | 71.8 | Confident | 144 Ų | 144 | 95.5 Ų | 95.5 | 67% | 0.673 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.6 | -46.5 | 175 | -171.5 | -176.6 | 178.3 | 0 | 0 | 111.6 | A27 T28 T33 A34 A35 | A27-E31 PolarHBondContact O-N 3.3Å; T28-E31 PolarHBondContact O-N 2.79Å; E31-T33 PolarHBondContact O-N 2.94Å; E31-A34 PolarHBondContact O-N 3.46Å; E31-A35 VanDerWaalsContact O-CB 3.26Å; E31-A35 WeakPolarHBondContact O-CB 3.42Å; E31-A35 PolarHBondContact O-N 2.93Å |
| 32 | I | 77.1 | Confident | 69.9 | Low | 89 Ų | 89 | 98.6 Ų | 98.6 | 46% | 0.456 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.6 | -42.8 | 177 | -72.2 | 168.1 | 0 | 0 | 0 | 111.4 | T28 F29 A35 L36 | T28-I32 HydrophobicContact CG2-CD1 3.91Å; T28-I32 WeakPolarHBondContact O-CB 3.49Å; T28-I32 VanDerWaalsContact O-CG1 3.28Å; T28-I32 WeakPolarHBondContact O-CG1 3.31Å; T28-I32 PolarHBondContact O-N 3.47Å; F29-I32 PolarHBondContact O-N 2.8Å; I32-A35 PolarHBondContact O-N 3.21Å; I32-L36 HydrophobicContact CG2-CD1 3.74Å; I32-L36 HydrophobicContact CG2-CG 4.37Å; I32-L36 WeakPolarHBondContact O-CB 3.34Å; I32-L36 VanDerWaalsContact O-CG 3.25Å; I32-L36 WeakPolarHBondContact O-CG 3.44Å; I32-L36 PolarHBondContact O-N 3.01Å |
| 33 | T | 72.9 | Confident | 68.2 | Low | 43 Ų | 43 | 97.3 Ų | 97.3 | 26% | 0.264 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.1 | -42 | -179.8 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | F29 K30 E31 L36 G37 | F29-T33 WeakPolarHBondContact O-CB 3.46Å; F29-T33 PolarHBondContact O-N 3.48Å; F29-T33 PolarHBondContact O-OG1 3.39Å; K30-T33 PolarHBondContact O-N 3.47Å; E31-T33 PolarHBondContact O-N 2.94Å; T33-L36 PolarHBondContact O-N 3.41Å; T33-G37 PolarHBondContact O-N 2.82Å |
| 34 | A | 74.9 | Confident | 66.2 | Low | 80 Ų | 80 | 96.9 Ų | 96.9 | 66% | 0.661 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.4 | -46 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K30 E31 L36 G37 | K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 3.35Å; E31-A34 PolarHBondContact O-N 3.46Å; A34-L36 VanDerWaalsContact C-N 3.27Å; A34-L36 PolarHBondContact O-N 2.95Å; A34-G37 PolarHBondContact O-N 3.37Å |
| 35 | A | 73.6 | Confident | 64.6 | Low | 88 Ų | 88 | 97 Ų | 97 | 73% | 0.727 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.2 | -17.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E31 I32 | E31-A35 VanDerWaalsContact O-CB 3.26Å; E31-A35 WeakPolarHBondContact O-CB 3.42Å; E31-A35 PolarHBondContact O-N 2.93Å; I32-A35 PolarHBondContact O-N 3.21Å |
| 36 | L | 68.1 | Low | 62.8 | Low | 125 Ų | 125 | 93.6 Ų | 93.6 | 65% | 0.654 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -85.2 | -19.2 | 174.5 | -78.4 | 170.3 | 0 | 0 | 0 | 113.6 | I32 T33 A34 | I32-L36 HydrophobicContact CG2-CD1 3.74Å; I32-L36 HydrophobicContact CG2-CG 4.37Å; I32-L36 WeakPolarHBondContact O-CB 3.34Å; I32-L36 VanDerWaalsContact O-CG 3.25Å; I32-L36 WeakPolarHBondContact O-CG 3.44Å; I32-L36 PolarHBondContact O-N 3.01Å; T33-L36 PolarHBondContact O-N 3.41Å; A34-L36 VanDerWaalsContact C-N 3.27Å; A34-L36 PolarHBondContact O-N 2.95Å |
| 37 | G | 45 | Very low | 61.2 | Low | 51 Ų | 51 | 95.2 Ų | 95.2 | 53% | 0.526 | 58% | 0.579 | S | S | . | * | trans | 76 | 102.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T33 A34 I39 | T33-G37 PolarHBondContact O-N 2.82Å; A34-G37 PolarHBondContact O-N 3.37Å; G37-I39 PolarHBondContact O-N 3.25Å | ||
| 38 | G | 47.3 | Very low | 59.5 | Low | 83 Ų | 83 | 97.9 Ų | 97.9 | 86% | 0.856 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 69.6 | 21.9 | 156 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 39 | I | 43.7 | Very low | 58.2 | Low | 117 Ų | 117 | 97.2 Ų | 97.2 | 60% | 0.6 | 58% | 0.582 | S | S | * | * | trans | -93.4 | 106 | 164.2 | -52.3 | -178.9 | 0 | 0 | 0 | 107.8 | G37 T41 | G37-I39 PolarHBondContact O-N 3.25Å; I39-T41 HydrophobicContact CG2-CG2 3.98Å; I39-T41 PolarHBondContact O-N 2.87Å | ||
| 40 | E | 41.9 | Very low | 57.1 | Low | 194 Ų | 194 | 96.9 Ų | 96.9 | 91% | 0.907 | 58% | 0.582 | S | S | * | * | trans | -69.6 | 81.5 | 169.2 | -67.5 | -176.7 | 143.5 | 0 | 0 | 110 | S42 | E40-S42 PolarHBondContact O-N 3.34Š| ||
| 41 | T | 44.1 | Very low | 56 | Low | 78 Ų | 78 | 95 Ų | 95 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | trans | -83.7 | 96.7 | 158.5 | 55.3 | 0 | 0 | 0 | 0 | 108.2 | I39 V43 | I39-T41 HydrophobicContact CG2-CG2 3.98Å; I39-T41 PolarHBondContact O-N 2.87Å; T41-V43 PolarHBondContact O-N 3.48Å | ||
| 42 | S | 45.9 | Very low | 54.8 | Low | 111 Ų | 111 | 91.6 Ų | 91.6 | 78% | 0.776 | 57% | 0.565 | S | S | * | * | trans | -64.9 | 83.7 | 161.2 | 56.3 | 0 | 0 | 0 | 0 | 108.6 | E40 D44 | E40-S42 PolarHBondContact O-N 3.34Å; S42-D44 PolarHBondContact O-N 3.12Å | ||
| 43 | V | 49.7 | Very low | 53.9 | Low | 61 Ų | 61 | 93.7 Ų | 93.7 | 37% | 0.37 | 57% | 0.573 | S | S | . | * | trans | -74.7 | 106.4 | 167.3 | 179.7 | 0 | 0 | 0 | 0 | 105.8 | F29 T41 D45 L48 | F29-V43 HydrophobicContact CE1-CG2 4.28Å; T41-V43 PolarHBondContact O-N 3.48Å; V43-D45 PolarHBondContact O-N 3.04Å; V43-L48 HydrophobicContact CG1-CD1 3.63Å; V43-L48 HydrophobicContact CG1-CG 4.21Å | ||
| 44 | D | 46.3 | Very low | 53.5 | Low | 114 Ų | 114 | 95.8 Ų | 95.8 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | trans | -57.3 | 110.5 | 174.8 | -78 | -55.9 | 0 | 0 | 0 | 109.6 | S42 G46 V47 | S42-D44 PolarHBondContact O-N 3.12Å; D44-G46 PolarHBondContact O-N 3.29Å; D44-V47 HydrophobicContact CB-CB 4.41Å; D44-V47 HydrophobicContact CB-CG2 3.84Å; D44-V47 PolarHBondContact O-N 3.32Å | ||
| 45 | D | 49.7 | Very low | 52.5 | Low | 112 Ų | 112 | 97.7 Ų | 97.7 | 60% | 0.599 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56 | -23.2 | 178.3 | -79.9 | -55.6 | 0 | 0 | 0 | 112 | V43 S49 | V43-D45 PolarHBondContact O-N 3.04Å; D45-S49 VanDerWaalsContact O-CB 3.29Å; D45-S49 WeakPolarHBondContact O-CB 3.4Å; D45-S49 PolarHBondContact O-N 3.01Å; D45-S49 PolarHBondContact O-OG 2.98Å |
| 46 | G | 48.1 | Very low | 51.6 | Low | 47 Ų | 47 | 97 Ų | 97 | 49% | 0.485 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.2 | -46.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D44 L48 S49 E50 | D44-G46 PolarHBondContact O-N 3.29Å; G46-L48 PolarHBondContact O-N 3.16Å; G46-S49 PolarHBondContact O-N 3.04Å; G46-E50 WeakPolarHBondContact O-CB 3.5Å; G46-E50 PolarHBondContact O-N 3.03Å |
| 47 | V | 50.6 | Low | 51 | Low | 98 Ų | 98 | 97.1 Ų | 97.1 | 59% | 0.594 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68 | -40.5 | -173.3 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | D44 D51 | D44-V47 HydrophobicContact CB-CB 4.41Å; D44-V47 HydrophobicContact CB-CG2 3.84Å; D44-V47 PolarHBondContact O-N 3.32Å; V47-D51 PolarHBondContact O-N 3.19Å |
| 48 | L | 47.1 | Very low | 51.6 | Low | 113 Ų | 113 | 101.8 Ų | 101.8 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -75.8 | -22.2 | 174.8 | -78.6 | 179.6 | 0 | 0 | 0 | 113.6 | V43 G46 L52 | V43-L48 HydrophobicContact CG1-CD1 3.63Å; V43-L48 HydrophobicContact CG1-CG 4.21Å; G46-L48 PolarHBondContact O-N 3.16Å; L48-L52 WeakPolarHBondContact O-CB 3.28Å |
| 49 | S | 54.9 | Low | 51.8 | Low | 46 Ų | 46 | 101.9 Ų | 101.9 | 32% | 0.322 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -77.9 | -51.4 | 172.8 | -63.3 | 0 | 0 | 0 | 0 | 111 | D45 G46 D51 L52 E53 | D45-S49 VanDerWaalsContact O-CB 3.29Å; D45-S49 WeakPolarHBondContact O-CB 3.4Å; D45-S49 PolarHBondContact O-N 3.01Å; D45-S49 PolarHBondContact O-OG 2.98Å; G46-S49 PolarHBondContact O-N 3.04Å; S49-D51 VanDerWaalsContact C-N 3.35Å; S49-D51 PolarHBondContact O-N 3.43Å; S49-L52 PolarHBondContact O-N 3.34Å; S49-L52 VanDerWaalsContact O-N 3.14Å; S49-E53 VanDerWaalsContact O-CB 3.25Å; S49-E53 WeakPolarHBondContact O-CB 3.26Å; S49-E53 PolarHBondContact O-N 3.41Å |
| 50 | E | 55.5 | Low | 52 | Low | 106 Ų | 106 | 99.6 Ų | 99.6 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -35.5 | -170.9 | -151.7 | -168.4 | 166.2 | 0 | 0 | 112.8 | G46 K54 | G46-E50 WeakPolarHBondContact O-CB 3.5Å; G46-E50 PolarHBondContact O-N 3.03Å; E50-K54 HydrophobicContact CG-CD 4.44Å; E50-K54 VanDerWaalsContact O-CB 3.31Å; E50-K54 WeakPolarHBondContact O-CB 3.42Å; E50-K54 WeakPolarHBondContact O-CD 3.27Å; E50-K54 WeakPolarHBondContact O-CG 3.32Å; E50-K54 PolarHBondContact O-N 2.77Å; E50-K54 WeakPolarHBondContact OE1-CE 3.47Å; E50-K54 IonicContact OE1-NZ 3.64Å; E50-K54 PolarHBondContact OE1-NZ 3.42Å; E50-K54 IonicContact OE2-NZ 3.67Å |
| 51 | D | 57.8 | Low | 52.2 | Low | 95 Ų | 95 | 94.8 Ų | 94.8 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -81.1 | -19.9 | 179.1 | -132.2 | 30.1 | 0 | 0 | 0 | 113.3 | V47 S49 Q55 | V47-D51 PolarHBondContact O-N 3.19Å; S49-D51 VanDerWaalsContact C-N 3.35Å; S49-D51 PolarHBondContact O-N 3.43Å; D51-Q55 WeakPolarHBondContact O-CG 3.41Å; D51-Q55 PolarHBondContact O-NE2 2.82Å; D51-Q55 VanDerWaalsContact O-NE2 3.15Å |
| 52 | L | 55.9 | Low | 52.3 | Low | 73 Ų | 73 | 98.1 Ų | 98.1 | 38% | 0.382 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -82.3 | -42.2 | 168.9 | -109.7 | 164.3 | 0 | 0 | 0 | 111.1 | L48 S49 Q55 I56 | L48-L52 WeakPolarHBondContact O-CB 3.28Å; S49-L52 PolarHBondContact O-N 3.34Å; S49-L52 VanDerWaalsContact O-N 3.14Å; L52-Q55 CarbonylContact O-C 3.58Å; L52-Q55 WeakPolarHBondContact O-CA 3.36Å; L52-Q55 WeakPolarHBondContact O-CB 3.47Å; L52-Q55 PolarHBondContact O-N 3.43Å; L52-I56 HydrophobicContact CD2-CD1 4.48Å; L52-I56 WeakPolarHBondContact O-CG1 3.47Å; L52-I56 PolarHBondContact O-N 3.08Å |
| 53 | E | 60 | Low | 52.3 | Low | 133 Ų | 133 | 97.7 Ų | 97.7 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 178.5 | -164.4 | 157.3 | -129.2 | 0 | 0 | 110.4 | S49 Q55 I56 E57 | S49-E53 VanDerWaalsContact O-CB 3.25Å; S49-E53 WeakPolarHBondContact O-CB 3.26Å; S49-E53 PolarHBondContact O-N 3.41Å; E53-Q55 PolarHBondContact O-N 2.89Å; E53-I56 PolarHBondContact O-N 3.06Å; E53-E57 VanDerWaalsContact O-CB 3.31Å; E53-E57 WeakPolarHBondContact O-CB 3.41Å; E53-E57 PolarHBondContact O-N 2.95Å |
| 54 | K | 62.8 | Low | 52.1 | Low | 87 Ų | 87 | 100.3 Ų | 100.3 | 38% | 0.378 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66 | -14.7 | 170.1 | -72.5 | 167.5 | -173.8 | 162.3 | 0 | 115 | E50 K58 | E50-K54 HydrophobicContact CG-CD 4.44Å; E50-K54 VanDerWaalsContact O-CB 3.31Å; E50-K54 WeakPolarHBondContact O-CB 3.42Å; E50-K54 WeakPolarHBondContact O-CD 3.27Å; E50-K54 WeakPolarHBondContact O-CG 3.32Å; E50-K54 PolarHBondContact O-N 2.77Å; E50-K54 WeakPolarHBondContact OE1-CE 3.47Å; E50-K54 IonicContact OE1-NZ 3.64Å; E50-K54 PolarHBondContact OE1-NZ 3.42Å; E50-K54 IonicContact OE2-NZ 3.67Å; K54-K58 WeakPolarHBondContact O-CD 3.43Å; K54-K58 WeakPolarHBondContact O-CG 3.48Å |
| 55 | Q | 55 | Low | 51.7 | Low | 119 Ų | 119 | 100.2 Ų | 100.2 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -90.6 | -37.4 | 170.3 | -78 | -179.3 | 64.1 | 0 | 0 | 111.9 | D51 L52 E53 T59 | D51-Q55 WeakPolarHBondContact O-CG 3.41Å; D51-Q55 PolarHBondContact O-NE2 2.82Å; D51-Q55 VanDerWaalsContact O-NE2 3.15Å; L52-Q55 CarbonylContact O-C 3.58Å; L52-Q55 WeakPolarHBondContact O-CA 3.36Å; L52-Q55 WeakPolarHBondContact O-CB 3.47Å; L52-Q55 PolarHBondContact O-N 3.43Å; E53-Q55 PolarHBondContact O-N 2.89Å; Q55-T59 PolarHBondContact O-N 3.16Å; Q55-T59 VanDerWaalsContact O-N 3.14Å; Q55-T59 PolarHBondContact O-OG1 2.98Å |
| 56 | I | 55.1 | Low | 50.9 | Low | 73 Ų | 73 | 100.2 Ų | 100.2 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -50.9 | 173.8 | -67.8 | 163.2 | 0 | 0 | 0 | 109.8 | L52 E53 K58 T59 E60 | L52-I56 HydrophobicContact CD2-CD1 4.48Å; L52-I56 WeakPolarHBondContact O-CG1 3.47Å; L52-I56 PolarHBondContact O-N 3.08Å; E53-I56 PolarHBondContact O-N 3.06Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 3.49Å; I56-T59 CarbonylContact O-C 3.57Å; I56-T59 WeakPolarHBondContact O-CA 3.26Å; I56-T59 WeakPolarHBondContact O-CB 3.11Å; I56-T59 PolarHBondContact O-N 2.92Å; I56-E60 HydrophobicContact CG2-CG 4.29Å; I56-E60 PolarHBondContact O-N 3.05Å |
| 57 | E | 54.4 | Low | 50.3 | Low | 129 Ų | 129 | 104 Ų | 104 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.3 | -43.7 | 176.8 | -174 | -177.2 | -143.8 | 0 | 0 | 111.5 | E53 T59 E60 D61 | E53-E57 VanDerWaalsContact O-CB 3.31Å; E53-E57 WeakPolarHBondContact O-CB 3.41Å; E53-E57 PolarHBondContact O-N 2.95Å; E57-T59 PolarHBondContact O-N 3.08Å; E57-E60 PolarHBondContact O-N 3.2Å; E57-D61 WeakPolarHBondContact O-CB 3.38Å; E57-D61 PolarHBondContact O-N 3.48Å |
| 58 | K | 57.2 | Low | 49.5 | Very low | 149 Ų | 149 | 106 Ų | 106 | 65% | 0.648 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.5 | -24.2 | 173.6 | -84.1 | 179.4 | -178.9 | 165.5 | 0 | 114.7 | K54 I56 | K54-K58 WeakPolarHBondContact O-CD 3.43Å; K54-K58 WeakPolarHBondContact O-CG 3.48Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 3.49Å |
| 59 | T | 51.7 | Low | 48.7 | Very low | 85 Ų | 85 | 103.4 Ų | 103.4 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -86.1 | -41.8 | 179 | -54.2 | 0 | 0 | 0 | 0 | 110.2 | Q55 I56 E57 L62 L63 | Q55-T59 PolarHBondContact O-N 3.16Å; Q55-T59 VanDerWaalsContact O-N 3.14Å; Q55-T59 PolarHBondContact O-OG1 2.98Å; I56-T59 CarbonylContact O-C 3.57Å; I56-T59 WeakPolarHBondContact O-CA 3.26Å; I56-T59 WeakPolarHBondContact O-CB 3.11Å; I56-T59 PolarHBondContact O-N 2.92Å; E57-T59 PolarHBondContact O-N 3.08Å; T59-L62 WeakPolarHBondContact O-CB 3.47Å; T59-L62 PolarHBondContact O-N 2.8Å; T59-L63 HydrophobicContact CG2-CD1 4.47Å; T59-L63 WeakPolarHBondContact O-CG 3.46Å; T59-L63 PolarHBondContact O-N 3.19Å |
| 60 | E | 48.9 | Very low | 47.8 | Very low | 68 Ų | 68 | 110.1 Ų | 110.1 | 32% | 0.318 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.3 | -42.7 | 172.8 | -65.6 | -168.3 | 140.3 | 0 | 0 | 111.8 | K15 I56 E57 L62 L63 L64 | K15-E60 WeakPolarHBondContact CE-OE1 3.38Å; K15-E60 IonicContact NZ-OE1 2.69Å; K15-E60 PolarHBondContact NZ-OE1 3.42Å; I56-E60 HydrophobicContact CG2-CG 4.29Å; I56-E60 PolarHBondContact O-N 3.05Å; E57-E60 PolarHBondContact O-N 3.2Å; E60-L62 PolarHBondContact O-N 3.14Å; E60-L62 VanDerWaalsContact O-N 3.15Å; E60-L63 CarbonylContact O-C 3.59Å; E60-L63 WeakPolarHBondContact O-CA 3.42Å; E60-L63 PolarHBondContact O-N 3.42Å; E60-L64 HydrophobicContact CB-CD1 4.29Å; E60-L64 WeakPolarHBondContact O-CD1 3.43Å; E60-L64 PolarHBondContact O-N 3.22Å |
| 61 | D | 46.6 | Very low | 46.5 | Very low | 94 Ų | 94 | 115.5 Ų | 115.5 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.6 | -9 | 177.4 | -166.3 | 47.5 | 0 | 0 | 0 | 113.5 | E57 K65 | E57-D61 WeakPolarHBondContact O-CB 3.38Å; E57-D61 PolarHBondContact O-N 3.48Å; D61-K65 PolarHBondContact O-NZ 3.31Å; D61-K65 IonicContact OD1-NZ 2.62Å; D61-K65 PolarHBondContact OD1-NZ 3.01Å; D61-K65 IonicContact OD2-NZ 3.72Å; D61-K65 PolarHBondContact OD2-NZ 2.85Å |
| 62 | L | 45.9 | Very low | 45.5 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -92.1 | -21.5 | 166.8 | -99.2 | 166.5 | 0 | 0 | 0 | 113.4 | T59 E60 | T59-L62 WeakPolarHBondContact O-CB 3.47Å; T59-L62 PolarHBondContact O-N 2.8Å; E60-L62 PolarHBondContact O-N 3.14Å; E60-L62 VanDerWaalsContact O-N 3.15Å |
| 63 | L | 44.9 | Very low | 44.4 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 54% | 0.539 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -95.7 | -33 | 180 | -68.4 | 168.9 | 0 | 0 | 0 | 112.6 | T59 E60 K65 | T59-L63 HydrophobicContact CG2-CD1 4.47Å; T59-L63 WeakPolarHBondContact O-CG 3.46Å; T59-L63 PolarHBondContact O-N 3.19Å; E60-L63 CarbonylContact O-C 3.59Å; E60-L63 WeakPolarHBondContact O-CA 3.42Å; E60-L63 PolarHBondContact O-N 3.42Å; L63-K65 PolarHBondContact O-N 2.8Å |
| 64 | L | 46.1 | Very low | 43.2 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 60% | 0.602 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -86.5 | 11.3 | -174.8 | -88.2 | 83.1 | 0 | 0 | 0 | 115.5 | E60 P66 | E60-L64 HydrophobicContact CB-CD1 4.29Å; E60-L64 WeakPolarHBondContact O-CD1 3.43Å; E60-L64 PolarHBondContact O-N 3.22Å; L64-P66 WeakPolarHBondContact O-CD 3.39Å |
| 65 | K | 37.9 | Very low | 42 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 49% | 0.487 | 67% | 0.671 | S | S | . | * | trans | -103.8 | 87.9 | 179 | -71 | -163.5 | -175.9 | 66.8 | 0 | 113.9 | D61 L63 V67 | D61-K65 PolarHBondContact O-NZ 3.31Å; D61-K65 IonicContact OD1-NZ 2.62Å; D61-K65 PolarHBondContact OD1-NZ 3.01Å; D61-K65 IonicContact OD2-NZ 3.72Å; D61-K65 PolarHBondContact OD2-NZ 2.85Å; L63-K65 PolarHBondContact O-N 2.8Å; K65-V67 VanDerWaalsContact C-N 3.28Å; K65-V67 HydrophobicContact CB-CG2 4.19Å; K65-V67 PolarHBondContact O-N 3.14Å | ||
| 66 | P | 31.9 | Very low | 41.1 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | -73.7 | 79.6 | 168.6 | 32.6 | -35.6 | 0 | 0 | 0 | 110.4 | L64 V68 | L64-P66 WeakPolarHBondContact O-CD 3.39Å; P66-V68 VanDerWaalsContact C-N 3.25Å; P66-V68 PolarHBondContact O-N 3.15Å | ||
| 67 | V | 36.8 | Very low | 40.3 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -72.8 | 80.9 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | K65 G69 | K65-V67 VanDerWaalsContact C-N 3.28Å; K65-V67 HydrophobicContact CB-CG2 4.19Å; K65-V67 PolarHBondContact O-N 3.14Å; V67-G69 PolarHBondContact O-N 3.18Å | ||
| 68 | V | 33.9 | Very low | 39.7 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | trans | -68.9 | 111.3 | 169.5 | 177.1 | 0 | 0 | 0 | 0 | 109 | P66 | P66-V68 VanDerWaalsContact C-N 3.25Å; P66-V68 PolarHBondContact O-N 3.15Å | ||
| 69 | G | 30.2 | Very low | 38.9 | Very low | 59 Ų | 59 | 136.2 Ų | 136.2 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | trans | 101.3 | 91.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | V67 | V67-G69 PolarHBondContact O-N 3.18Š| ||
| 70 | Q | 34.5 | Very low | 38.6 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | -159 | 141.8 | 110 | -105.6 | -175.3 | 32.1 | 0 | 0 | 111.9 | R72 | Q70-R72 PolarHBondContact O-N 3.01Š| |||
| 71 | K | 29.9 | Very low | 38.5 | Very low | 218 Ų | 218 | 137 Ų | 137 | 95% | 0.948 | 73% | 0.728 | S | S | * | * | trans | -86.2 | 97.2 | -171.1 | -69.2 | 173.6 | -179.6 | 168.3 | 0 | 112.1 | ||||
| 72 | R | 35.5 | Very low | 38.5 | Very low | 223 Ų | 223 | 143.9 Ų | 143.9 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | trans | -122.6 | 122.7 | 157.4 | -72.7 | -174.5 | 178 | 169.4 | 1.1 | 110.2 | Q70 V74 | Q70-R72 PolarHBondContact O-N 3.01Å; R72-V74 VanDerWaalsContact C-N 3.34Å; R72-V74 PolarHBondContact O-N 3.36Å | ||
| 73 | K | 32.7 | Very low | 38.5 | Very low | 217 Ų | 217 | 140.3 Ų | 140.3 | 94% | 0.943 | 73% | 0.733 | S | S | * | * | trans | -78 | 74.9 | -175.5 | -69.7 | -176.5 | 177.6 | 179.2 | 0 | 111.9 | K75 | K73-K75 PolarHBondContact O-N 2.91Š| ||
| 74 | V | 35.7 | Very low | 38.6 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | trans | -76.6 | 118.5 | 167.3 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | R72 T76 | R72-V74 VanDerWaalsContact C-N 3.34Å; R72-V74 PolarHBondContact O-N 3.36Å; V74-T76 HydrophobicContact CG1-CG2 4.42Å; V74-T76 PolarHBondContact O-N 3.43Å; V74-T76 VanDerWaalsContact O-N 3.14Å | ||
| 75 | K | 37.2 | Very low | 38.9 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 90% | 0.9 | 75% | 0.748 | S | S | * | * | trans | -77.5 | 90.2 | 168.3 | -83.3 | -176.2 | 172 | 179.8 | 0 | 109 | K73 S77 | K73-K75 PolarHBondContact O-N 2.91Å; K75-S77 PolarHBondContact O-N 3.42Å | ||
| 76 | T | 37 | Very low | 39.3 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | trans | -63.8 | 128.1 | 165.6 | 42.3 | 0 | 0 | 0 | 0 | 109.3 | V74 | V74-T76 HydrophobicContact CG1-CG2 4.42Å; V74-T76 PolarHBondContact O-N 3.43Å; V74-T76 VanDerWaalsContact O-N 3.14Å | ||
| 77 | S | 37.8 | Very low | 40.2 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | trans | -80.6 | 127.2 | -177.2 | -170 | 0 | 0 | 0 | 0 | 110.2 | K75 H79 | K75-S77 PolarHBondContact O-N 3.42Å; S77-H79 PolarHBondContact O-N 3.37Å | ||
| 78 | I | 41.1 | Very low | 40.9 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 45.5 | -173.5 | -39.6 | 176.8 | 0 | 0 | 0 | 110.9 | ||
| 79 | H | 40.1 | Very low | 41.7 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 73% | 0.731 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.7 | -4.5 | -164.7 | -71.8 | -10.1 | 0 | 0 | 0 | 115.8 | S77 | S77-H79 PolarHBondContact O-N 3.37Š|
| 80 | S | 47 | Very low | 42.7 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -84.8 | -46.7 | 172.8 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | R82 C83 | S80-R82 PolarHBondContact O-N 3.47Å; S80-C83 WeakPolarHBondContact O-CB 3.46Å; S80-C83 PolarHBondContact O-N 2.95Å |
| 81 | A | 45 | Very low | 43.6 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -4.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 82 | R | 47.2 | Very low | 44.6 | Very low | 238 Ų | 238 | 132 Ų | 132 | 90% | 0.898 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -4.8 | 172.9 | -87.6 | -174.2 | 171.2 | 178.7 | -2.8 | 114.4 | S80 | S80-R82 PolarHBondContact O-N 3.47Š|
| 83 | C | 46.1 | Very low | 45.2 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 48% | 0.48 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | -29.7 | -178.5 | -161.1 | 0 | 0 | 0 | 0 | 113.2 | S80 H85 S86 N89 | S80-C83 WeakPolarHBondContact O-CB 3.46Å; S80-C83 PolarHBondContact O-N 2.95Å; C83-H85 PolarHBondContact O-N 2.94Å; C83-H85 VanDerWaalsContact O-N 3.15Å; C83-S86 WeakPolarHBondContact O-CB 3.24Å; C83-S86 PolarHBondContact O-N 3.26Å; C83-S86 VanDerWaalsContact O-N 3.17Å; C83-N89 PolarHBondContact O-ND2 2.94Å |
| 84 | E | 48 | Very low | 46 | Very low | 151 Ų | 151 | 120.6 Ų | 120.6 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -9.7 | -173.4 | -64.5 | 176.9 | -167.1 | 0 | 0 | 114.4 | ||
| 85 | H | 50.8 | Low | 46.7 | Very low | 161 Ų | 161 | 121.5 Ų | 121.5 | 75% | 0.745 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 11.8 | 177.1 | -64.3 | 7.1 | 0 | 0 | 0 | 112.7 | C83 | C83-H85 PolarHBondContact O-N 2.94Å; C83-H85 VanDerWaalsContact O-N 3.15Å |
| 86 | S | 48 | Very low | 47.2 | Very low | 42 Ų | 42 | 115.7 Ų | 115.7 | 29% | 0.294 | 61% | 0.608 | S | S | . | * | trans | -63.6 | 130.3 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | C83 L88 N89 R90 | C83-S86 WeakPolarHBondContact O-CB 3.24Å; C83-S86 PolarHBondContact O-N 3.26Å; C83-S86 VanDerWaalsContact O-N 3.17Å; S86-L88 PolarHBondContact O-N 3.23Å; S86-L88 VanDerWaalsContact O-N 3.14Å; S86-L88 PolarHBondContact OG-N 2.82Å; S86-N89 PolarHBondContact O-N 2.85Å; S86-R90 PolarHBondContact O-N 3.38Å | ||
| 87 | P | 49.8 | Very low | 47.9 | Very low | 76 Ų | 76 | 113.3 Ų | 113.3 | 49% | 0.494 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -54.3 | -32.1 | 174.8 | -27.5 | 35.6 | 0 | 0 | 0 | 113.7 | N89 R90 S91 | P87-N89 VanDerWaalsContact C-N 3.32Å; P87-N89 PolarHBondContact O-N 3.45Å; P87-R90 PolarHBondContact O-N 3.45Å; P87-S91 PolarHBondContact O-N 2.98Å |
| 88 | L | 51.5 | Low | 48.3 | Very low | 119 Ų | 119 | 113.7 Ų | 113.7 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.7 | -30.4 | 178.8 | -126.3 | 74.5 | 0 | 0 | 0 | 113.3 | S86 S91 | S86-L88 PolarHBondContact O-N 3.23Å; S86-L88 VanDerWaalsContact O-N 3.14Å; S86-L88 PolarHBondContact OG-N 2.82Å; L88-S91 PolarHBondContact O-OG 3.5Å |
| 89 | N | 50.3 | Low | 48.5 | Very low | 76 Ų | 76 | 110.1 Ų | 110.1 | 41% | 0.406 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -82.1 | -34.9 | 175.7 | -69.8 | -22.4 | 0 | 0 | 0 | 110.7 | C83 S86 P87 L93 | C83-N89 PolarHBondContact O-ND2 2.94Å; S86-N89 PolarHBondContact O-N 2.85Å; P87-N89 VanDerWaalsContact C-N 3.32Å; P87-N89 PolarHBondContact O-N 3.45Å; N89-L93 WeakPolarHBondContact O-CB 3.43Å; N89-L93 PolarHBondContact O-N 2.93Å |
| 90 | R | 51.4 | Low | 48.8 | Very low | 170 Ų | 170 | 109.5 Ų | 109.5 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.6 | -36.9 | 177.4 | -120.4 | -179.6 | -177.4 | -175.5 | 1.1 | 113 | S86 P87 N94 | S86-R90 PolarHBondContact O-N 3.38Å; P87-R90 PolarHBondContact O-N 3.45Å; R90-N94 WeakPolarHBondContact O-CB 3.36Å; R90-N94 VanDerWaalsContact O-CG 3.31Å; R90-N94 PolarHBondContact O-N 3.29Å |
| 91 | S | 53 | Low | 48.6 | Very low | 64 Ų | 64 | 112.3 Ų | 112.3 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.1 | -47.6 | 174.7 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | P87 L88 L93 N94 Q95 | P87-S91 PolarHBondContact O-N 2.98Å; L88-S91 PolarHBondContact O-OG 3.5Å; S91-L93 PolarHBondContact O-N 3.14Å; S91-N94 PolarHBondContact O-N 3.27Å; S91-Q95 WeakPolarHBondContact O-CB 3.34Å; S91-Q95 PolarHBondContact O-N 3.46Å |
| 92 | K | 52.3 | Low | 48 | Very low | 139 Ų | 139 | 112.3 Ų | 112.3 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.9 | -39.8 | 177.7 | -69.6 | -174 | 176.6 | -173.8 | 0 | 112.6 | Q95 V96 | K92-Q95 PolarHBondContact O-N 3.15Å; K92-V96 WeakPolarHBondContact O-CG2 3.44Å; K92-V96 PolarHBondContact O-N 3.19Å; K92-V96 VanDerWaalsContact O-N 3.13Å |
| 93 | L | 48.3 | Very low | 47.5 | Very low | 112 Ų | 112 | 105.1 Ų | 105.1 | 59% | 0.586 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.9 | -46 | 175 | -169.2 | 68.2 | 0 | 0 | 0 | 111.9 | N89 S91 V96 V97 | N89-L93 WeakPolarHBondContact O-CB 3.43Å; N89-L93 PolarHBondContact O-N 2.93Å; S91-L93 PolarHBondContact O-N 3.14Å; L93-V96 PolarHBondContact O-N 3.44Å; L93-V97 WeakPolarHBondContact O-CG2 3.33Å; L93-V97 PolarHBondContact O-N 2.89Å |
| 94 | N | 49.7 | Very low | 47.1 | Very low | 90 Ų | 90 | 105.5 Ų | 105.5 | 48% | 0.481 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.9 | -40 | 177.4 | -72.7 | -0.4 | 0 | 0 | 0 | 112.1 | R90 S91 V96 V97 D98 | R90-N94 WeakPolarHBondContact O-CB 3.36Å; R90-N94 VanDerWaalsContact O-CG 3.31Å; R90-N94 PolarHBondContact O-N 3.29Å; S91-N94 PolarHBondContact O-N 3.27Å; N94-V96 VanDerWaalsContact C-N 3.28Å; N94-V96 PolarHBondContact O-N 3.13Å; N94-V97 PolarHBondContact O-N 2.83Å; N94-V97 VanDerWaalsContact O-N 3.13Å; N94-D98 PolarHBondContact O-N 2.74Å |
| 95 | Q | 48.9 | Very low | 46.7 | Very low | 135 Ų | 135 | 107.3 Ų | 107.3 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.7 | -34.6 | 178 | -164.3 | 175.1 | 31.7 | 0 | 0 | 111.9 | S91 K92 S99 | S91-Q95 WeakPolarHBondContact O-CB 3.34Å; S91-Q95 PolarHBondContact O-N 3.46Å; K92-Q95 PolarHBondContact O-N 3.15Å; Q95-S99 WeakPolarHBondContact O-CB 3.49Å; Q95-S99 PolarHBondContact O-N 2.66Å; Q95-S99 VanDerWaalsContact O-N 3.11Å; Q95-S99 PolarHBondContact O-OG 3.37Å |
| 96 | V | 48.6 | Very low | 46.1 | Very low | 85 Ų | 85 | 106.8 Ų | 106.8 | 52% | 0.515 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.6 | -47.3 | 169.8 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | K92 L93 N94 D98 S99 H100 | K92-V96 WeakPolarHBondContact O-CG2 3.44Å; K92-V96 PolarHBondContact O-N 3.19Å; K92-V96 VanDerWaalsContact O-N 3.13Å; L93-V96 PolarHBondContact O-N 3.44Å; N94-V96 VanDerWaalsContact C-N 3.28Å; N94-V96 PolarHBondContact O-N 3.13Å; V96-D98 PolarHBondContact O-N 3.25Å; V96-S99 PolarHBondContact O-N 2.88Å; V96-H100 PolarHBondContact O-CD2 3.43Å; V96-H100 PolarHBondContact O-N 2.89Å |
| 97 | V | 50.8 | Low | 45.7 | Very low | 71 Ų | 71 | 110.5 Ų | 110.5 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.6 | -41.1 | -179.6 | 168.3 | 0 | 0 | 0 | 0 | 112.6 | L93 N94 H100 | L93-V97 WeakPolarHBondContact O-CG2 3.33Å; L93-V97 PolarHBondContact O-N 2.89Å; N94-V97 PolarHBondContact O-N 2.83Å; N94-V97 VanDerWaalsContact O-N 3.13Å; V97-H100 PolarHBondContact O-N 3.1Å |
| 98 | D | 46.9 | Very low | 45.2 | Very low | 95 Ų | 95 | 115.7 Ų | 115.7 | 51% | 0.508 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -78.8 | -31.5 | 178.5 | -72.1 | -34.4 | 0 | 0 | 0 | 112.7 | N94 V96 H100 K101 | N94-D98 PolarHBondContact O-N 2.74Å; V96-D98 PolarHBondContact O-N 3.25Å; D98-H100 PolarHBondContact O-N 2.62Å; D98-K101 PolarHBondContact O-N 3.29Å; D98-K101 VanDerWaalsContact O-N 3.1Å; D98-K101 IonicContact OD1-NZ 3.16Å; D98-K101 PolarHBondContact OD1-NZ 3.43Å |
| 99 | S | 45.7 | Very low | 44.6 | Very low | 90 Ų | 90 | 117 Ų | 117 | 63% | 0.629 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.9 | -24.9 | 170.7 | -65.7 | 0 | 0 | 0 | 0 | 113.1 | Q95 V96 | Q95-S99 WeakPolarHBondContact O-CB 3.49Å; Q95-S99 PolarHBondContact O-N 2.66Å; Q95-S99 VanDerWaalsContact O-N 3.11Å; Q95-S99 PolarHBondContact O-OG 3.37Å; V96-S99 PolarHBondContact O-N 2.88Å |
| 100 | H | 46.6 | Very low | 44 | Very low | 144 Ų | 144 | 116.5 Ų | 116.5 | 67% | 0.667 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -5.7 | 178.6 | -78.3 | -124.2 | 0 | 0 | 0 | 113.7 | V96 V97 D98 S102 | V96-H100 PolarHBondContact O-CD2 3.43Å; V96-H100 PolarHBondContact O-N 2.89Å; V97-H100 PolarHBondContact O-N 3.1Å; D98-H100 PolarHBondContact O-N 2.62Å; H100-S102 PolarHBondContact O-N 2.83Å |
| 101 | K | 42.3 | Very low | 43.5 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 64% | 0.643 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -89 | 37.2 | -179.2 | -70.6 | 178.3 | -170.6 | 153.1 | 0 | 115.6 | D98 | D98-K101 PolarHBondContact O-N 3.29Å; D98-K101 VanDerWaalsContact O-N 3.1Å; D98-K101 IonicContact OD1-NZ 3.16Å; D98-K101 PolarHBondContact OD1-NZ 3.43Å |
| 102 | S | 31.8 | Very low | 42.9 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 57% | 0.566 | 64% | 0.642 | S | S | * | * | trans | 166.7 | 104.7 | 145.2 | 167.7 | 0 | 0 | 0 | 0 | 114.8 | H100 | H100-S102 PolarHBondContact O-N 2.83Š| ||
| 103 | P | 36.6 | Very low | 42.3 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 57% | 0.565 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -103.6 | -8 | 146.6 | 34.1 | -30.8 | 0 | 0 | 0 | 113.1 | K105 L106 | P103-K105 VanDerWaalsContact C-N 3.27Å; P103-K105 PolarHBondContact O-N 2.94Å; P103-K105 VanDerWaalsContact O-N 3.08Å; P103-L106 PolarHBondContact O-N 3.29Å |
| 104 | A | 38.1 | Very low | 41.8 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -10.4 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 105 | K | 39.9 | Very low | 41.3 | Very low | 189 Ų | 189 | 128.8 Ų | 128.8 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | -4.3 | -178.7 | -67.9 | -170.8 | 177.2 | -177.7 | 0 | 115.6 | P103 | P103-K105 VanDerWaalsContact C-N 3.27Å; P103-K105 PolarHBondContact O-N 2.94Å; P103-K105 VanDerWaalsContact O-N 3.08Å |
| 106 | L | 37.3 | Very low | 40.9 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -18.3 | 175.9 | -85 | 164 | 0 | 0 | 0 | 114.1 | P103 K108 | P103-L106 PolarHBondContact O-N 3.29Å; L106-K108 PolarHBondContact O-N 2.85Å |
| 107 | L | 40.5 | Very low | 40.3 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 63% | 0.628 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -1.8 | -174.9 | -86.2 | 161.3 | 0 | 0 | 0 | 116 | ||
| 108 | K | 39.4 | Very low | 39.6 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -11.5 | 179.1 | -70.4 | -168.5 | 176.2 | -175.2 | 0 | 114.8 | L106 | L106-K108 PolarHBondContact O-N 2.85Š|
| 109 | N | 37.9 | Very low | 38.9 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -100.9 | -17.1 | 178.3 | -72.5 | -4.8 | 0 | 0 | 0 | 114.5 | R111 | N109-R111 PolarHBondContact O-N 2.85Š|
| 110 | S | 38.2 | Very low | 38.4 | Very low | 66 Ų | 66 | 141.3 Ų | 141.3 | 46% | 0.462 | 73% | 0.725 | S | S | . | * | G | 310 helix | trans | -78.2 | -15.6 | -176.5 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | K112 | S110-K112 VanDerWaalsContact C-N 3.29Å; S110-K112 PolarHBondContact O-N 3.14Å |
| 111 | R | 40 | Very low | 38.1 | Very low | 224 Ų | 224 | 143.7 Ų | 143.7 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -80.4 | 7.9 | -179 | -77.9 | -172.1 | 173.8 | -178.7 | -0.4 | 115.7 | N109 | N109-R111 PolarHBondContact O-N 2.85Š|
| 112 | K | 41.8 | Very low | 38 | Very low | 201 Ų | 201 | 143.6 Ų | 143.6 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -106 | -5.1 | 177 | -81 | -170.3 | 174 | -176.8 | 0 | 116 | S110 | S110-K112 VanDerWaalsContact C-N 3.29Å; S110-K112 PolarHBondContact O-N 3.14Å |
| 113 | L | 39.3 | Very low | 38.2 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -104.1 | -14 | -179.5 | -74.3 | 165.9 | 0 | 0 | 0 | 114.7 | K115 | L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.29Å |
| 114 | S | 37.8 | Very low | 38.1 | Very low | 88 Ų | 88 | 146.8 Ų | 146.8 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 25.5 | -176.4 | 54.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 115 | K | 39.7 | Very low | 38.1 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | -1.1 | 175.5 | -88.5 | -170.8 | 174.3 | -175.2 | 0 | 115.3 | L113 | L113-K115 VanDerWaalsContact C-N 3.31Å; L113-K115 PolarHBondContact O-N 3.29Å |
| 116 | Q | 39.8 | Very low | 37.8 | Very low | 178 Ų | 178 | 150.9 Ų | 150.9 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -99.8 | -8 | -179.8 | -143.1 | 167.7 | 10.6 | 0 | 0 | 114.1 | ||
| 117 | L | 36 | Very low | 37.7 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -108.4 | 83.1 | 167.3 | -78.5 | 165.5 | 0 | 0 | 0 | 109.2 | ||||
| 118 | R | 35.6 | Very low | 37.4 | Very low | 176 Ų | 176 | 153 Ų | 153 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | -141.2 | 93.4 | 173.8 | -164.7 | 178.4 | -63.7 | -142 | -4.3 | 110.5 | ||||
| 119 | S | 33.1 | Very low | 37.3 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 38.4 | 82 | 153.5 | 60.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 120 | A | 34.4 | Very low | 37.2 | Very low | 92 Ų | 92 | 150.7 Ų | 150.7 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -131.1 | 137.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 121 | K | 40 | Very low | 37.1 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 84.5 | 136.3 | -165.3 | -56.9 | -169 | 165.7 | -174.5 | 0 | 116.8 | ||||
| 122 | D | 41.1 | Very low | 36.6 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | cis | -160.6 | 166.5 | -32.8 | -115.2 | -38.9 | 0 | 0 | 0 | 110 | ||||
| 123 | S | 35.6 | Very low | 36.1 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -77 | 147.3 | 179.9 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 124 | P | 35 | Very low | 35.9 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -91.6 | 150.4 | -172.8 | 35.4 | -36 | 0 | 0 | 0 | 114.5 | ||||
| 125 | K | 37 | Very low | 35.8 | Very low | 186 Ų | 186 | 150.5 Ų | 150.5 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | trans | -170.6 | 133.4 | 147.5 | -108.7 | 165.8 | -177.5 | -178.7 | 0 | 112.9 | ||||
| 126 | Q | 34.7 | Very low | 35.5 | Very low | 170 Ų | 170 | 148 Ų | 148 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 31.5 | 136.2 | 142.8 | -55 | 170.6 | -74.3 | 0 | 0 | 118.9 | ||||
| 127 | T | 34.6 | Very low | 35.2 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | -157.8 | -171.5 | 51.4 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 128 | E | 34.5 | Very low | 35.1 | Very low | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -71.9 | 167.6 | -162 | -76.5 | -176.9 | 105.6 | 0 | 0 | 120.3 | ||||
| 129 | P | 37.1 | Very low | 34.9 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | trans | -110.5 | 170.3 | -179 | 42.3 | -34.4 | 0 | 0 | 0 | 115.3 | ||||
| 130 | Q | 36.9 | Very low | 34.9 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -171.6 | 141.2 | 145.7 | -113 | -171.4 | 64.3 | 0 | 0 | 114.2 | ||||
| 131 | N | 34.5 | Very low | 34.9 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | trans | 55.1 | 150 | 135.1 | -68.7 | -14.4 | 0 | 0 | 0 | 121.9 | ||||
| 132 | I | 30.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 64% | 0.641 | 77% | 0.766 | S | S | * | * | cis | -167.4 | 167.2 | -5.3 | -116.6 | 168.6 | 0 | 0 | 0 | 111.9 | ||||
| 133 | F | 31.5 | Very low | 34.2 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | 77.2 | 143.6 | 161 | -87.8 | -52.6 | 0 | 0 | 0 | 124.6 | ||||
| 134 | Q | 33.6 | Very low | 33.8 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -119 | -158.8 | 161.8 | -70 | -166.1 | -16.9 | 0 | 0 | 107.4 | ||||
| 135 | P | 36.9 | Very low | 33.7 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -150.5 | -171.5 | 3.6 | 45.2 | -23.3 | 0 | 0 | 0 | 119.7 | ||||
| 136 | S | 32.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 92.2 | 149.1 | 140.2 | 75.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 137 | G | 35 | Very low | 33.2 | Very low | 66 Ų | 66 | 142.2 Ų | 142.2 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | trans | 108.4 | 96.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 138 | N | 33.7 | Very low | 33.1 | Very low | 162 Ų | 162 | 144 Ų | 144 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | 57.6 | 136.3 | 72.3 | -65 | -2.6 | 0 | 0 | 0 | 114 | |||||
| 139 | M | 31.5 | Very low | 32.7 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | cis | -166.7 | 161.4 | 29.7 | -146.2 | 170.8 | 72.2 | 0 | 0 | 113.6 | ||||
| 140 | C | 33.6 | Very low | 32.5 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | 57.8 | 140.5 | 165.1 | -63 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 141 | D | 32.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 65% | 0.647 | 77% | 0.773 | S | S | * | * | cis | 105.1 | 121.1 | 22 | -111.9 | -37.5 | 0 | 0 | 0 | 115.6 | ||||
| 142 | L | 32.6 | Very low | 31.9 | Very low | 142 Ų | 142 | 144 Ų | 144 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | 169.4 | 122.2 | 125.2 | -90.7 | 154.2 | 0 | 0 | 0 | 115.4 | |||||
| 143 | K | 33.7 | Very low | 31.9 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 52.8 | 99.4 | 146.8 | -69.2 | 170.7 | -173 | 171 | 0 | 122.8 | ||||
| 144 | S | 28.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | 24.7 | 130.1 | 125.7 | 62.1 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 145 | H | 32.1 | Very low | 32.1 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | trans | -150 | 161.1 | 141.6 | -122.6 | -97.3 | 0 | 0 | 0 | 112 | ||||
| 146 | K | 30.7 | Very low | 31.8 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -81 | 151.2 | -178.2 | -67.3 | 178.6 | 176.5 | 178 | 0 | 113.7 | ||||
| 147 | P | 31.9 | Very low | 31.7 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | -104.8 | 132 | 129.6 | 33.9 | -27.4 | 0 | 0 | 0 | 109.3 | |||||
| 148 | Q | 31.4 | Very low | 31.6 | Very low | 171 Ų | 171 | 145 Ų | 145 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | 76.1 | 111.3 | 53.5 | -70.9 | -162.6 | -15.2 | 0 | 0 | 114.6 | |||||
| 149 | L | 26.7 | Very low | 31.3 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | trans | -76.7 | 127.3 | 164.8 | -87.4 | 149.8 | 0 | 0 | 0 | 110 | ||||
| 150 | L | 32.1 | Very low | 31.3 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -158.9 | 145.6 | 165.2 | -80.8 | 172.8 | 0 | 0 | 0 | 107.3 | ||||
| 151 | D | 30.4 | Very low | 31.2 | Very low | 144 Ų | 144 | 145 Ų | 145 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | cis | -154.7 | 161.7 | -32.8 | -159 | -6.4 | 0 | 0 | 0 | 107.9 | ||||
| 152 | S | 29 | Very low | 31.4 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -96.9 | 118.5 | -175.2 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 153 | S | 30.9 | Very low | 31.3 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -165 | 161.4 | 160.5 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 154 | I | 34.6 | Very low | 31.5 | Very low | 155 Ų | 155 | 147 Ų | 147 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | trans | 69.4 | 106.7 | 179.2 | -46.6 | 163.9 | 0 | 0 | 0 | 111 | ||||
| 155 | L | 34.5 | Very low | 31.6 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | cis | -129.6 | 135.5 | 37.8 | -71.7 | 163.8 | 0 | 0 | 0 | 114.3 | ||||
| 156 | Q | 31.1 | Very low | 31.7 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -83.9 | 169.6 | 143.1 | -60.2 | 172.9 | -29.6 | 0 | 0 | 107.1 | ||||
| 157 | T | 29.8 | Very low | 31.7 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | cis | -155.1 | 171.9 | 17.3 | -22 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 158 | T | 32.5 | Very low | 31.8 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | cis | -152.5 | 153.9 | 20.1 | -49.5 | 0 | 0 | 0 | 0 | 110.2 | C160 | T158-C160 VanDerWaalsContact CG2-SG 3.51Š| ||
| 159 | F | 26.7 | Very low | 31.7 | Very low | 211 Ų | 211 | 144.1 Ų | 144.1 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -132.7 | 131.9 | 152.5 | -108.3 | -92 | 0 | 0 | 0 | 107.6 | ||||
| 160 | C | 32.6 | Very low | 32.1 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | trans | -126.6 | 110.3 | 177.8 | -75.7 | 0 | 0 | 0 | 0 | 111 | T158 | T158-C160 VanDerWaalsContact CG2-SG 3.51Š| ||
| 161 | P | 31.2 | Very low | 32.2 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -94.5 | 131.7 | 155.9 | 34 | -26.5 | 0 | 0 | 0 | 109.9 | ||||
| 162 | T | 37.2 | Very low | 32.3 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | -145.6 | 92.2 | 167.3 | 44.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 163 | D | 30.5 | Very low | 32.6 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -66.7 | 130.7 | 153.4 | -61.3 | -61.9 | 0 | 0 | 0 | 108.5 | ||||
| 164 | K | 38.1 | Very low | 32.6 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -143.5 | 118.6 | 159.8 | -76.3 | -158.5 | 173.6 | -170.9 | 0 | 109.8 | ||||
| 165 | E | 30.8 | Very low | 32.7 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -61.2 | 143.3 | 166.9 | -57.5 | 168.1 | 119 | 0 | 0 | 109.9 | ||||
| 166 | C | 33.4 | Very low | 32.7 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -148.1 | 111.2 | 157.1 | -157.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 167 | L | 30.4 | Very low | 33.2 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -78.5 | 126.1 | 177.1 | -69.9 | 155.7 | 0 | 0 | 0 | 110.2 | ||||
| 168 | I | 34.8 | Very low | 33.3 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -142.9 | 127.1 | 146.6 | -82.1 | 109.2 | 0 | 0 | 0 | 107.5 | ||||
| 169 | S | 28.5 | Very low | 33.6 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -127.3 | 108.6 | 179.8 | -62.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 170 | T | 35.7 | Very low | 33.9 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -165.8 | 152.1 | 166.2 | 34.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 171 | N | 34.7 | Very low | 34 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | cis | -175 | 135.9 | -34.4 | -129.8 | -13.6 | 0 | 0 | 0 | 106.1 | ||||
| 172 | I | 32.2 | Very low | 34 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | 63 | 125.9 | 152.8 | -56.9 | 157.3 | 0 | 0 | 0 | 115.6 | ||||
| 173 | S | 34.5 | Very low | 34.1 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | cis | -164.2 | 178.1 | 46 | -149.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 174 | N | 31.4 | Very low | 34.2 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -84.7 | 152.6 | -178.4 | -50.7 | -58.4 | 0 | 0 | 0 | 114.3 | ||||
| 175 | S | 37 | Very low | 34 | Very low | 127 Ų | 127 | 145 Ų | 145 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | -176.4 | 138.3 | 121.3 | 31.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 176 | E | 34.5 | Very low | 34.3 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -110 | 156.5 | 166.4 | -172.1 | -168.3 | 164.3 | 0 | 0 | 107.8 | Q178 | E176-Q178 WeakPolarHBondContact OE1-CG 3.27Š| ||
| 177 | P | 40.2 | Very low | 34.2 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -139.5 | 138 | 134 | 35.7 | -23.2 | 0 | 0 | 0 | 114.7 | ||||
| 178 | Q | 32.7 | Very low | 34.6 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -79.2 | 154.9 | 164.3 | -58.9 | -174.8 | 4 | 0 | 0 | 111.8 | E176 | E176-Q178 WeakPolarHBondContact OE1-CG 3.27Š| ||
| 179 | S | 38 | Very low | 34.6 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -154.7 | 151.6 | 142.5 | -164.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 180 | K | 33.9 | Very low | 34.8 | Very low | 180 Ų | 180 | 150.3 Ų | 150.3 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -110.9 | 145.1 | -179.7 | -61 | 171.4 | -179.3 | 172.5 | 0 | 110.3 | ||||
| 181 | R | 34.6 | Very low | 34.9 | Very low | 254 Ų | 254 | 151.3 Ų | 151.3 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | trans | -160.1 | 157.5 | 144.8 | -118.2 | 170.2 | -177.5 | 175.9 | 0.4 | 113 | ||||
| 182 | T | 31.2 | Very low | 34.9 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -143.8 | 125.8 | -166.6 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 183 | S | 39.8 | Very low | 35.1 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -171.7 | 115.8 | 163.4 | 47.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 184 | N | 31.2 | Very low | 35.1 | Very low | 152 Ų | 152 | 156.5 Ų | 156.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | 64 | 135.3 | 61.6 | -79.8 | 0.6 | 0 | 0 | 0 | 115 | |||||
| 185 | I | 35 | Very low | 35.3 | Very low | 156 Ų | 156 | 158.3 Ų | 158.3 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | 76.2 | 136.8 | 168 | -60.2 | 151.4 | 0 | 0 | 0 | 113.1 | ||||
| 186 | E | 36.7 | Very low | 35.1 | Very low | 141 Ų | 141 | 156.8 Ų | 156.8 | 66% | 0.659 | 80% | 0.796 | S | S | * | * | cis | -139.7 | 164.3 | 8.8 | -151.5 | 171.1 | 121.7 | 0 | 0 | 112.5 | R188 | E186-R188 IonicContact OE1-CZ 2.79Å; E186-R188 IonicContact OE1-NE 2.7Å; E186-R188 PolarHBondContact OE1-NE 2.74Å; E186-R188 IonicContact OE1-NH2 2.67Å; E186-R188 PolarHBondContact OE1-NH2 2.92Å | ||
| 187 | E | 31.1 | Very low | 35.2 | Very low | 174 Ų | 174 | 158.6 Ų | 158.6 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -81.3 | 149.2 | 163.7 | -61.3 | -175.4 | 125.3 | 0 | 0 | 111.9 | ||||
| 188 | R | 38.2 | Very low | 34.8 | Very low | 222 Ų | 222 | 161.4 Ų | 161.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -155.9 | 153.1 | 144.9 | -117.9 | 162.1 | -110.4 | -156.2 | -1.7 | 112.3 | E186 | E186-R188 IonicContact OE1-CZ 2.79Å; E186-R188 IonicContact OE1-NE 2.7Å; E186-R188 PolarHBondContact OE1-NE 2.74Å; E186-R188 IonicContact OE1-NH2 2.67Å; E186-R188 PolarHBondContact OE1-NH2 2.92Å | ||
| 189 | K | 36.5 | Very low | 34.8 | Very low | 188 Ų | 188 | 161.1 Ų | 161.1 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | -100.8 | 166.5 | -167.1 | -68.8 | 176.4 | 174.8 | 174.5 | 0 | 112.7 | ||||
| 190 | C | 32.3 | Very low | 34.5 | Very low | 109 Ų | 109 | 162.5 Ų | 162.5 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | 73.7 | 150.2 | 153.7 | -81.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 191 | D | 37.9 | Very low | 34.3 | Very low | 145 Ų | 145 | 159.6 Ų | 159.6 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | cis | -133.8 | 161.1 | 12.5 | -100.7 | -46.3 | 0 | 0 | 0 | 117 | ||||
| 192 | Q | 34.4 | Very low | 34.1 | Very low | 178 Ų | 178 | 159.1 Ų | 159.1 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -42.8 | 130.6 | 172 | 178.3 | 178 | 96.7 | 0 | 0 | 117.3 | ||||
| 193 | I | 36.6 | Very low | 34.3 | Very low | 169 Ų | 169 | 159.8 Ų | 159.8 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -128 | 150.8 | 153.7 | -65.1 | -176.9 | 0 | 0 | 0 | 108.3 | ||||
| 194 | N | 33.2 | Very low | 34 | Very low | 144 Ų | 144 | 157.4 Ų | 157.4 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -114.2 | 114.1 | -161.7 | -178 | 40.2 | 0 | 0 | 0 | 112.1 | ||||
| 195 | E | 36.6 | Very low | 34.2 | Very low | 189 Ų | 189 | 158 Ų | 158 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -118.3 | 104.2 | 169.4 | -72.6 | -164.4 | 172.2 | 0 | 0 | 111.3 | ||||
| 196 | S | 33.2 | Very low | 34.3 | Very low | 96 Ų | 96 | 158.5 Ų | 158.5 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | trans | -72.4 | 160.4 | 154.9 | 49.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 197 | E | 35.5 | Very low | 34.1 | Very low | 188 Ų | 188 | 160.1 Ų | 160.1 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | trans | 79.4 | 55.5 | 174 | -49.7 | -164.6 | 167.7 | 0 | 0 | 118 | ||||
| 198 | L | 33.4 | Very low | 34.1 | Very low | 181 Ų | 181 | 159.4 Ų | 159.4 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | trans | -133.7 | 115.3 | 145.4 | -115.9 | 169.8 | 0 | 0 | 0 | 110.9 | ||||
| 199 | N | 31.2 | Very low | 33.8 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | -110.6 | 150.4 | -161.5 | -142.7 | -25.5 | 0 | 0 | 0 | 111.8 | ||||
| 200 | I | 31.7 | Very low | 33.3 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 77% | 0.774 | 81% | 0.814 | S | S | * | * | trans | 68.3 | 75.9 | 168.4 | -44.4 | 162.8 | 0 | 0 | 0 | 115.6 | ||||
| 201 | S | 30.4 | Very low | 33.3 | Very low | 119 Ų | 119 | 151.1 Ų | 151.1 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -163.1 | 138 | 143.9 | -87.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 202 | R | 31.2 | Very low | 33 | Very low | 244 Ų | 244 | 154.1 Ų | 154.1 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | 57.3 | 113.4 | -176.5 | -75.6 | -179 | 167.7 | 168.9 | -4.5 | 116.3 | ||||
| 203 | T | 34.9 | Very low | 32.9 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 93% | 0.933 | 82% | 0.816 | S | S | * | * | trans | -160.1 | 140.6 | 158 | -11.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 204 | G | 33.9 | Very low | 33 | Very low | 64 Ų | 64 | 149.5 Ų | 149.5 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | cis | -160.8 | 162.4 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 205 | D | 35 | Very low | 32.9 | Very low | 164 Ų | 164 | 151 Ų | 151 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -68.1 | 143.5 | 169.3 | -57.2 | -79 | 0 | 0 | 0 | 110.7 | ||||
| 206 | I | 35.9 | Very low | 32.8 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -112.3 | 108.8 | 159.9 | -65.7 | 179.7 | 0 | 0 | 0 | 107 | ||||
| 207 | Q | 33.3 | Very low | 32.9 | Very low | 175 Ų | 175 | 155.2 Ų | 155.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -61.3 | 139.4 | 166.5 | -59.7 | 172.3 | -10 | 0 | 0 | 109.3 | ||||
| 208 | M | 30.8 | Very low | 32.9 | Very low | 160 Ų | 160 | 156.8 Ų | 156.8 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | trans | -163.6 | 127.9 | 134.1 | -95.7 | -39.6 | -74.5 | 0 | 0 | 112.5 | ||||
| 209 | S | 31.9 | Very low | 33 | Very low | 82 Ų | 82 | 158 Ų | 158 | 57% | 0.573 | 81% | 0.809 | S | S | * | * | trans | 36.4 | 104.5 | 153.4 | 57 | 0 | 0 | 0 | 0 | 119.9 | Q211 | S209-Q211 PolarHBondContact O-N 3.23Š| ||
| 210 | A | 27 | Very low | 33.2 | Very low | 113 Ų | 113 | 158.8 Ų | 158.8 | 93% | 0.934 | 81% | 0.813 | S | S | * | * | trans | -70.1 | 93.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 211 | Q | 32 | Very low | 33.3 | Very low | 149 Ų | 149 | 157.1 Ų | 157.1 | 70% | 0.696 | 81% | 0.814 | S | S | * | * | trans | -91.2 | 109.4 | 179.6 | -169 | 172.3 | 5.8 | 0 | 0 | 111.5 | S209 L213 | S209-Q211 PolarHBondContact O-N 3.23Å; Q211-L213 HydrophobicContact CG-CG 4.49Å; Q211-L213 PolarHBondContact O-N 2.99Å; Q211-L213 VanDerWaalsContact O-N 3.16Å | ||
| 212 | K | 30.2 | Very low | 33.3 | Very low | 208 Ų | 208 | 158.4 Ų | 158.4 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | trans | -59.7 | 115.2 | 164.3 | -74.3 | -179.2 | 176.6 | 178.6 | 0 | 109.1 | ||||
| 213 | L | 34 | Very low | 33.5 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -111 | 123.7 | 162 | -82.1 | 170.3 | 0 | 0 | 0 | 109.2 | Q211 | Q211-L213 HydrophobicContact CG-CG 4.49Å; Q211-L213 PolarHBondContact O-N 2.99Å; Q211-L213 VanDerWaalsContact O-N 3.16Å | ||
| 214 | S | 38.2 | Very low | 33.4 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -77.5 | 153.3 | -167.2 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | K216 | S214-K216 PolarHBondContact O-N 2.9Š| ||
| 215 | E | 30.3 | Very low | 33.5 | Very low | 174 Ų | 174 | 154.4 Ų | 154.4 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -46.5 | 126.7 | 159.1 | -61.9 | -178.3 | 96 | 0 | 0 | 110.6 | ||||
| 216 | K | 34.5 | Very low | 33.5 | Very low | 187 Ų | 187 | 153.5 Ų | 153.5 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -133.3 | 80.6 | 169 | -158.8 | 156.3 | -169.9 | 169.4 | 0 | 111.2 | S214 R218 | S214-K216 PolarHBondContact O-N 2.9Å; K216-R218 PolarHBondContact O-N 3.34Å | ||
| 217 | K | 35.8 | Very low | 33.3 | Very low | 187 Ų | 187 | 156.5 Ų | 156.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -47 | 104.9 | 169.4 | -68.8 | 173.7 | -179.6 | 168.9 | 0 | 109.8 | ||||
| 218 | R | 35.5 | Very low | 33.6 | Very low | 222 Ų | 222 | 156.6 Ų | 156.6 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -97.6 | 100.6 | 162.1 | -95.8 | -174.3 | -77.7 | 173.6 | -4 | 108.5 | K216 L220 | K216-R218 PolarHBondContact O-N 3.34Å; R218-L220 PolarHBondContact O-N 3.46Å | ||
| 219 | K | 35.8 | Very low | 33.8 | Very low | 205 Ų | 205 | 153.7 Ų | 153.7 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -60.5 | 128.7 | 152.6 | -67.3 | -177 | 177.3 | -176.8 | 0 | 106.6 | ||||
| 220 | L | 34.2 | Very low | 33.9 | Very low | 161 Ų | 161 | 157.4 Ų | 157.4 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -113.4 | 144.4 | 156.3 | -84.4 | 168.8 | 0 | 0 | 0 | 107.2 | R218 | R218-L220 PolarHBondContact O-N 3.46Š| ||
| 221 | S | 35.2 | Very low | 34.3 | Very low | 115 Ų | 115 | 158 Ų | 158 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -71.3 | 153.5 | -170.4 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 222 | M | 29.6 | Very low | 34.6 | Very low | 147 Ų | 147 | 159.8 Ų | 159.8 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | -57.1 | 141.7 | 149.1 | -79.6 | -73.4 | -63 | 0 | 0 | 108.9 | T224 | M222-T224 HydrophobicContact CE-CG2 3.53Š| ||
| 223 | D | 35.1 | Very low | 34.6 | Very low | 161 Ų | 161 | 161 Ų | 161 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -135.3 | 143.1 | 153.5 | -146 | -21.8 | 0 | 0 | 0 | 107.8 | ||||
| 224 | T | 33.4 | Very low | 34.7 | Very low | 108 Ų | 108 | 160.9 Ų | 160.9 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | trans | -126.4 | 115.7 | -162.7 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | M222 | M222-T224 HydrophobicContact CE-CG2 3.53Š| ||
| 225 | S | 35.9 | Very low | 34.4 | Very low | 106 Ų | 106 | 160.4 Ų | 160.4 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -156.4 | 150.3 | 156.3 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 226 | D | 35.7 | Very low | 34.7 | Very low | 145 Ų | 145 | 162.6 Ų | 162.6 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | 53.2 | 96 | 158.8 | -54.8 | -21.4 | 0 | 0 | 0 | 119.5 | ||||
| 227 | Y | 31.8 | Very low | 34.6 | Very low | 231 Ų | 231 | 160.9 Ų | 160.9 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | -171.8 | 117 | 106 | -112.8 | -81.6 | 0 | 0 | 0 | 112.1 | |||||
| 228 | Q | 38.1 | Very low | 34.7 | Very low | 176 Ų | 176 | 161 Ų | 161 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -79.6 | 137.4 | 178.8 | -84.7 | -81.9 | -7.4 | 0 | 0 | 113 | ||||
| 229 | P | 36.2 | Very low | 34.8 | Very low | 100 Ų | 100 | 158.1 Ų | 158.1 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | trans | -84.3 | 118.6 | 173.2 | 32.3 | -32.4 | 0 | 0 | 0 | 112.2 | V231 | P229-V231 PolarHBondContact O-N 3.5Š| ||
| 230 | L | 33.5 | Very low | 34.8 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -74.2 | 94.1 | -176.3 | -166.2 | 80 | 0 | 0 | 0 | 113.3 | ||||
| 231 | V | 34.6 | Very low | 34.9 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -87.2 | 113.2 | 171.2 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | P229 | P229-V231 PolarHBondContact O-N 3.5Š| ||
| 232 | K | 40.2 | Very low | 34.8 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -87.5 | 113.5 | 167.6 | -80.4 | -169.4 | 174.9 | -172.4 | 0 | 110.7 | ||||
| 233 | R | 29.5 | Very low | 35.2 | Very low | 233 Ų | 233 | 151 Ų | 151 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -70.4 | 141.2 | 168.7 | -76.1 | 171.6 | 152.3 | 150 | -8.9 | 111.1 | ||||
| 234 | T | 36.5 | Very low | 35.2 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | trans | -132.7 | 134.9 | 140.2 | 41.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 235 | S | 32.2 | Very low | 35.6 | Very low | 91 Ų | 91 | 151.7 Ų | 151.7 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -112.6 | 147.8 | -167 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 236 | F | 35.3 | Very low | 35.7 | Very low | 219 Ų | 219 | 154.4 Ų | 154.4 | 96% | 0.961 | 80% | 0.798 | S | S | * | * | trans | -144 | 135.8 | 144.4 | -98.8 | -75.1 | 0 | 0 | 0 | 110.2 | ||||
| 237 | N | 32.3 | Very low | 35.8 | Very low | 152 Ų | 152 | 156.8 Ų | 156.8 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -98.4 | 144 | -175.4 | -73.6 | -24.1 | 0 | 0 | 0 | 111.9 | ||||
| 238 | K | 38.2 | Very low | 36 | Very low | 188 Ų | 188 | 152.5 Ų | 152.5 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | -164.6 | 121.3 | 129.1 | -119.3 | 172.8 | 176.4 | 177.9 | 0 | 113.7 | |||||
| 239 | I | 38.3 | Very low | 36.1 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | 37.9 | 128.9 | 139.3 | -52.8 | 170.4 | 0 | 0 | 0 | 117.8 | ||||
| 240 | G | 35.1 | Very low | 36.2 | Very low | 59 Ų | 59 | 151.6 Ų | 151.6 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | cis | 164.8 | -178.3 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 241 | L | 36.5 | Very low | 36.4 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 69.1 | 118 | -176.3 | -53.4 | 164.6 | 0 | 0 | 0 | 113.6 | ||||
| 242 | T | 32.2 | Very low | 36.7 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | cis | 64.6 | 131.3 | 49.2 | 74.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 243 | T | 38.6 | Very low | 36.4 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | cis | -135.6 | 172 | 38.2 | 45 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 244 | E | 35.4 | Very low | 37.1 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -88.7 | 162.3 | 177.2 | -57.8 | -174.8 | 107.1 | 0 | 0 | 113.6 | ||||
| 245 | S | 42.1 | Very low | 37.4 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -152.8 | 144.6 | 134.4 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 246 | K | 37.3 | Very low | 37.7 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 70% | 0.704 | 77% | 0.767 | S | S | * | * | trans | -128.5 | 144 | 171.7 | -63.1 | 174.2 | -173.4 | 164.6 | 0 | 108.1 | ||||
| 247 | H | 38.9 | Very low | 37.8 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | trans | -144.1 | 168.4 | 137.5 | -123.8 | -88.4 | 0 | 0 | 0 | 110.2 | ||||
| 248 | N | 35.4 | Very low | 38.1 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -147.6 | -177.2 | -153.9 | -156.2 | 34.4 | 0 | 0 | 0 | 109.7 | ||||
| 249 | V | 41.2 | Very low | 38.1 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 57% | 0.57 | 74% | 0.741 | S | S | * | * | trans | 81.5 | 112.2 | 157 | 162.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 250 | E | 37.8 | Very low | 38 | Very low | 163 Ų | 163 | 136 Ų | 136 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | 58.9 | 162.2 | 140.4 | -70 | 134.5 | -130.5 | 0 | 0 | 119.8 | ||||
| 251 | D | 37.8 | Very low | 38.3 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | -153.2 | 174 | 15.1 | -149.3 | -6.1 | 0 | 0 | 0 | 115 | ||||
| 252 | E | 39.3 | Very low | 38.1 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | trans | 67.3 | 167.7 | 154.4 | -87.8 | -63.9 | 166.8 | 0 | 0 | 122.4 | ||||
| 253 | A | 35.8 | Very low | 38.2 | Very low | 77 Ų | 77 | 143 Ų | 143 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -126.6 | 161.6 | -151.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 254 | P | 43.5 | Very low | 38 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -90.5 | 168.1 | 177.6 | 39.3 | -37.9 | 0 | 0 | 0 | 112.5 | ||||
| 255 | P | 43.3 | Very low | 37.8 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | -158.7 | -171.5 | 99.1 | 41.9 | -22.5 | 0 | 0 | 0 | 116.3 | |||||
| 256 | K | 37.3 | Very low | 37.6 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | 74.9 | 152.3 | 158 | -66.1 | 172.3 | 153.6 | -80.7 | 0 | 117.7 | ||||
| 257 | D | 38.3 | Very low | 37.3 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 60% | 0.604 | 75% | 0.751 | S | S | * | * | cis | -155.7 | 147.9 | -14.2 | -103.2 | -22.6 | 0 | 0 | 0 | 111.2 | ||||
| 258 | E | 38.1 | Very low | 36.8 | Very low | 152 Ų | 152 | 135 Ų | 135 | 71% | 0.71 | 74% | 0.738 | S | S | * | * | trans | 55.6 | 165.8 | 149.6 | -65.5 | -162.6 | 179.3 | 0 | 0 | 124.7 | ||||
| 259 | Q | 38.4 | Very low | 36.9 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | trans | 65.3 | 112.3 | 151.5 | -80.2 | 168.2 | 67.6 | 0 | 0 | 118 | ||||
| 260 | L | 36.4 | Very low | 36.2 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | 179.9 | 166 | 58.3 | -107.5 | 158 | 0 | 0 | 0 | 114 | |||||
| 261 | L | 41 | Very low | 36.4 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 72.5 | 122.5 | 156.9 | -69.9 | 164.4 | 0 | 0 | 0 | 121.6 | ||||
| 262 | N | 32.4 | Very low | 36.3 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -75.3 | 155.4 | 163 | -54.3 | -66.8 | 0 | 0 | 0 | 111.4 | ||||
| 263 | L | 34.3 | Very low | 35.8 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 94% | 0.937 | 77% | 0.767 | S | S | * | * | trans | -147.1 | 140.5 | 153 | -126.8 | 156.4 | 0 | 0 | 0 | 111 | ||||
| 264 | T | 34.4 | Very low | 35.8 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -101.4 | 155.2 | -160.1 | -47.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 265 | M | 32 | Very low | 35.2 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | trans | -49 | 171.4 | 158.1 | -61.9 | -71.8 | -74.4 | 0 | 0 | 112.2 | ||||
| 266 | P | 36.6 | Very low | 34.7 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | cis | -146.9 | -164.6 | 19.7 | 39.8 | -16.7 | 0 | 0 | 0 | 116.6 | ||||
| 267 | L | 31.6 | Very low | 34.5 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | 76.2 | 151.7 | 149.6 | -128.1 | 66.2 | 0 | 0 | 0 | 117.9 | ||||
| 268 | G | 28.4 | Very low | 34.5 | Very low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -144.2 | 169.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 269 | H | 36.6 | Very low | 34.5 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | -138.5 | 141.7 | 178.1 | -72.4 | -80.9 | 0 | 0 | 0 | 110.8 | ||||
| 270 | A | 27.4 | Very low | 34.5 | Very low | 98 Ų | 98 | 128 Ų | 128 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 140.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 271 | P | 42.1 | Very low | 34.6 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 135.1 | 167.6 | 33.2 | -30.5 | 0 | 0 | 0 | 110.9 | ||
| 272 | A | 34.8 | Very low | 34.5 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 164.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 273 | T | 28.8 | Very low | 34.7 | Very low | 145 Ų | 145 | 126 Ų | 126 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 129.8 | -177.2 | -36.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 274 | T | 35.9 | Very low | 34.7 | Very low | 137 Ų | 137 | 123 Ų | 123 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -140.2 | 145.4 | 160.9 | -42 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 275 | A | 31.1 | Very low | 35.2 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -111.1 | 165.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 276 | S | 32.6 | Very low | 35.4 | Very low | 112 Ų | 112 | 120.9 Ų | 120.9 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | 172.7 | 140.8 | 128.8 | -78.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 277 | S | 33.5 | Very low | 35.4 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 61.9 | 151.1 | 152.2 | -74.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 278 | S | 37.8 | Very low | 35.7 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | cis | -167.4 | 151.6 | -10.2 | 43.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 279 | T | 37.6 | Very low | 35.9 | Very low | 123 Ų | 123 | 125 Ų | 125 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 65.7 | 150.3 | 152.9 | 48.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 280 | N | 38.5 | Very low | 35.8 | Very low | 128 Ų | 128 | 120 Ų | 120 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | cis | -156 | 144.6 | 16.6 | -127 | -4.9 | 0 | 0 | 0 | 113.9 | ||||
| 281 | T | 38.6 | Very low | 36 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | 56.9 | 144.5 | 143.5 | 58.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 282 | T | 38.7 | Very low | 35.6 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | cis | -165 | 158.5 | -2.8 | 10.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 283 | K | 37.2 | Very low | 35.7 | Very low | 190 Ų | 190 | 122.7 Ų | 122.7 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | 65.8 | 133.2 | 148 | -69.5 | 164 | -177 | 177.9 | 0 | 119.2 | ||||
| 284 | S | 34.3 | Very low | 36.1 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | cis | 149.4 | 160.1 | -17.7 | -84.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 285 | P | 46.2 | Very low | 35.9 | Very low | 130 Ų | 130 | 121 Ų | 121 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | trans | -123.6 | -178.9 | -148.3 | 43.4 | -32 | 0 | 0 | 0 | 116.6 | ||||
| 286 | S | 35.9 | Very low | 36.1 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -171.2 | 168.6 | 168.3 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 287 | L | 35.8 | Very low | 36.1 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | -168.3 | 166 | -66.7 | -122.3 | 177.3 | 0 | 0 | 0 | 108.2 | |||||
| 288 | E | 37.9 | Very low | 36.2 | Very low | 168 Ų | 168 | 122.8 Ų | 122.8 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 62.9 | 165.4 | 160.6 | -65.2 | -167.8 | 125.5 | 0 | 0 | 119.6 | ||||
| 289 | S | 33.3 | Very low | 35.9 | Very low | 98 Ų | 98 | 123 Ų | 123 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | cis | -163.7 | 149.7 | -32.4 | -95 | 0 | 0 | 0 | 0 | 113 | ||||
| 290 | A | 33.7 | Very low | 36.1 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | 60 | 149 | 141 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 291 | T | 31.8 | Very low | 36.1 | Very low | 135 Ų | 135 | 121.4 Ų | 121.4 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | trans | 68.9 | 152.1 | 145.3 | 39.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 292 | S | 33.2 | Very low | 35.6 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -167.8 | 150.9 | -4.8 | 42.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 293 | L | 37.5 | Very low | 35.1 | Very low | 153 Ų | 153 | 124.1 Ų | 124.1 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | trans | 71.8 | 164.9 | 138.5 | -75.8 | 168.9 | 0 | 0 | 0 | 123.3 | ||||
| 294 | S | 38 | Very low | 34.7 | Very low | 107 Ų | 107 | 122 Ų | 122 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 82.9 | 142 | 164 | -52.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 295 | D | 31.6 | Very low | 34.8 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | cis | -173.6 | 179 | -46.4 | -117.5 | -56.1 | 0 | 0 | 0 | 109 | ||||
| 296 | S | 35.7 | Very low | 34.1 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 78.7 | 111.9 | 176 | -42.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 297 | S | 32 | Very low | 33.9 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | cis | 80.6 | 106.1 | 38.1 | -163.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 298 | S | 35.6 | Very low | 33.7 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 88% | 0.881 | 75% | 0.746 | S | S | * | * | trans | -168.2 | 161.8 | 131.9 | 31.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 299 | A | 30.1 | Very low | 33.8 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -116.4 | 170.9 | -158.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 300 | P | 41.9 | Very low | 33.8 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -88 | -149.7 | -175 | 41.6 | -37.4 | 0 | 0 | 0 | 110.1 | ||||
| 301 | P | 38.8 | Very low | 33.7 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | cis | -144.5 | -168.7 | 0.2 | 31 | -3.9 | 0 | 0 | 0 | 117.3 | ||||
| 302 | Q | 28.8 | Very low | 33.8 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | 71.8 | 165.7 | 164.8 | -35 | -168.9 | 7.7 | 0 | 0 | 115.3 | ||||
| 303 | S | 28.9 | Very low | 33.8 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | cis | -148.4 | 138.2 | -0.4 | 87.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 304 | N | 28.3 | Very low | 33.7 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | 90.1 | 167.9 | 99.5 | -165.1 | 20.9 | 0 | 0 | 0 | 115.3 | |||||
| 305 | V | 35.7 | Very low | 33.7 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 86.5 | 92 | 167.9 | -164.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 306 | N | 30.8 | Very low | 33.7 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | 19.8 | 138 | 129.5 | -56.9 | -12.2 | 0 | 0 | 0 | 122.2 | |||||
| 307 | S | 32.3 | Very low | 33.7 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | 159.6 | 102.8 | 106 | -168.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 308 | I | 31.9 | Very low | 33.7 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 67% | 0.672 | 76% | 0.764 | S | S | * | * | 51.7 | 115.1 | 99.3 | -53.2 | 164.2 | 0 | 0 | 0 | 114.5 | |||||
| 309 | N | 39.3 | Very low | 33.6 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | -162.1 | 140.2 | 138.3 | -99 | -36.9 | 0 | 0 | 0 | 111 | ||||
| 310 | N | 33.5 | Very low | 33.6 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -98.3 | 171.2 | -173.1 | -67.1 | -45.4 | 0 | 0 | 0 | 112.5 | ||||
| 311 | T | 32.5 | Very low | 33.3 | Very low | 106 Ų | 106 | 136 Ų | 136 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | 166.8 | 158.1 | 100.6 | -54 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 312 | F | 33.5 | Very low | 32.8 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 82% | 0.82 | 76% | 0.755 | S | S | * | * | trans | 71.2 | 104.4 | 176.4 | -59.3 | -72.2 | 0 | 0 | 0 | 116.2 | ||||
| 313 | V | 32.5 | Very low | 33 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | cis | 89.4 | 99.1 | 23.3 | -171.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 314 | T | 36.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -163.6 | 116.4 | 134.6 | 26.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 315 | K | 38.1 | Very low | 33.4 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | 55.3 | 132.2 | 94.3 | -66.7 | -174.8 | 179.7 | -176.5 | 0 | 113.4 | |||||
| 316 | S | 31.1 | Very low | 33.3 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | cis | -174.9 | -175.9 | -2 | -139.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 317 | P | 36.1 | Very low | 33.5 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | cis | -123.8 | 146.6 | -36.5 | 33.7 | -17.9 | 0 | 0 | 0 | 112.9 | ||||
| 318 | F | 31.8 | Very low | 33.7 | Very low | 220 Ų | 220 | 140.2 Ų | 140.2 | 97% | 0.965 | 76% | 0.761 | S | S | * | * | trans | -126.6 | 106.2 | 149.4 | -88.3 | -79 | 0 | 0 | 0 | 107.6 | ||||
| 319 | G | 33.2 | Very low | 33.5 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -92.5 | 124.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L321 | G319-L321 PolarHBondContact O-N 2.97Š| ||
| 320 | D | 29.2 | Very low | 33.3 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -58.9 | 125.5 | 167 | -175.8 | -14.4 | 0 | 0 | 0 | 109.9 | S322 | D320-S322 PolarHBondContact OD1-N 3.42Å; D320-S322 PolarHBondContact OD1-OG 2.93Å; D320-S322 VanDerWaalsContact OD1-OG 3.13Å | ||
| 321 | L | 36 | Very low | 33.2 | Very low | 169 Ų | 169 | 137 Ų | 137 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -137 | 65.7 | 170.5 | -75.9 | -179.3 | 0 | 0 | 0 | 110 | G319 | G319-L321 PolarHBondContact O-N 2.97Š| ||
| 322 | S | 29.7 | Very low | 33.3 | Very low | 81 Ų | 81 | 138 Ų | 138 | 57% | 0.566 | 77% | 0.77 | S | S | * | * | trans | -63.7 | 142.6 | 158.5 | 43 | 0 | 0 | 0 | 0 | 111.7 | D320 | D320-S322 PolarHBondContact OD1-N 3.42Å; D320-S322 PolarHBondContact OD1-OG 2.93Å; D320-S322 VanDerWaalsContact OD1-OG 3.13Å | ||
| 323 | N | 32 | Very low | 33.4 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 75.7 | 112.3 | 178.9 | -48.7 | -68.5 | 0 | 0 | 0 | 118.2 | ||||
| 324 | I | 34.3 | Very low | 33.5 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 93% | 0.933 | 76% | 0.763 | S | S | * | * | -170.5 | 151.8 | 125.7 | -93.1 | 151.7 | 0 | 0 | 0 | 107.2 | |||||
| 325 | Q | 31.6 | Very low | 33.5 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | trans | -144.5 | 133.3 | -151.8 | -174.5 | -175.9 | 116.4 | 0 | 0 | 115.5 | ||||
| 326 | K | 33.3 | Very low | 33.3 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 64% | 0.635 | 76% | 0.757 | S | S | * | * | trans | 65.9 | 132.7 | 159.6 | -73.8 | 167.6 | -165.5 | 157.9 | 0 | 118.1 | ||||
| 327 | L | 34.4 | Very low | 33.7 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | 77.3 | 158.4 | 66.6 | -102.8 | 73.8 | 0 | 0 | 0 | 113.9 | |||||
| 328 | P | 37.1 | Very low | 33.8 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | cis | -136.6 | -168.3 | -7.5 | 39.7 | -20 | 0 | 0 | 0 | 115.3 | ||||
| 329 | C | 28.2 | Very low | 33.9 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -98.5 | 161.7 | 169.3 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 330 | P | 35.2 | Very low | 34.2 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | trans | -90.8 | 168.1 | 172.9 | 36.4 | -34.9 | 0 | 0 | 0 | 114.6 | ||||
| 331 | S | 31.4 | Very low | 34.5 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -154.9 | 158.3 | -175.9 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 332 | I | 34.6 | Very low | 34.6 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | trans | -165.7 | 153.1 | 170 | 27.7 | 170.3 | 0 | 0 | 0 | 107.2 | ||||
| 333 | F | 35.3 | Very low | 35 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | cis | -120.8 | 174.2 | 5.4 | -74.4 | -74 | 0 | 0 | 0 | 109.8 | ||||
| 334 | S | 34 | Very low | 35.1 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | 73.3 | 131.3 | 37.7 | -30.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 335 | T | 37.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | cis | -166.1 | 154.4 | -3.7 | 5.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 336 | E | 34.8 | Very low | 35.3 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | 64.8 | 163.3 | 153.1 | -76.4 | -168.9 | 99.6 | 0 | 0 | 120.6 | ||||
| 337 | T | 38.8 | Very low | 35.6 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 64% | 0.638 | 78% | 0.78 | S | S | * | * | cis | -143.2 | 140.9 | 12.9 | -18.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 338 | Q | 38.8 | Very low | 35.8 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 66.8 | 158.6 | 145.5 | -90.8 | -179.8 | 72 | 0 | 0 | 124.5 | ||||
| 339 | T | 33.5 | Very low | 35.7 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | -148.9 | 148.1 | -157.5 | -47.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 340 | K | 39.6 | Very low | 36.2 | Very low | 212 Ų | 212 | 141.6 Ų | 141.6 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | trans | -139.3 | 153.3 | 149.8 | -73.3 | -162.2 | 176.5 | 179.9 | 0 | 111.4 | ||||
| 341 | H | 33.8 | Very low | 36.3 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -149.9 | 147.6 | -160.8 | -172 | -70.6 | 0 | 0 | 0 | 109.5 | ||||
| 342 | I | 39.5 | Very low | 36.8 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -166.6 | 152 | 161 | -106.7 | 150.3 | 0 | 0 | 0 | 110.4 | ||||
| 343 | P | 37.2 | Very low | 36.8 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -120.6 | -175.7 | -150.8 | 40.8 | -26.9 | 0 | 0 | 0 | 117.3 | ||||
| 344 | R | 34.1 | Very low | 37 | Very low | 237 Ų | 237 | 145.8 Ų | 145.8 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | trans | -64.7 | 157.7 | -175.3 | -59.3 | 171.4 | 173.9 | 155.5 | -4.8 | 115.7 | ||||
| 345 | L | 35.3 | Very low | 37.3 | Very low | 172 Ų | 172 | 147 Ų | 147 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -136.5 | 165.2 | 152.1 | -81.1 | -178.7 | 0 | 0 | 0 | 111.2 | ||||
| 346 | P | 35.3 | Very low | 37.3 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -108.3 | 179.4 | -153 | 41.4 | -37.4 | 0 | 0 | 0 | 117.3 | ||||
| 347 | V | 38.8 | Very low | 37.3 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -91.8 | 139.8 | -177.2 | 172.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 348 | P | 39.3 | Very low | 37.3 | Very low | 120 Ų | 120 | 147 Ų | 147 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -97.3 | 166.4 | 161.4 | 37 | -31.2 | 0 | 0 | 0 | 113 | ||||
| 349 | A | 34.9 | Very low | 37.3 | Very low | 89 Ų | 89 | 144 Ų | 144 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -122.2 | -167.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 350 | T | 38 | Very low | 37.3 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | 84.2 | 151.8 | -179.1 | 73.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 351 | D | 38.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | cis | -143 | 175.7 | 17.1 | -149 | 20.7 | 0 | 0 | 0 | 118.1 | ||||
| 352 | K | 41 | Very low | 37.3 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | trans | -33.4 | 167.2 | 176.5 | -56.7 | 152.6 | -164.1 | 83 | 0 | 116.7 | ||||
| 353 | R | 35.5 | Very low | 37 | Very low | 222 Ų | 222 | 135.5 Ų | 135.5 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | cis | -172.8 | 179.4 | 38.9 | -150.8 | 170 | -162.8 | 175.5 | 4.3 | 112 | ||||
| 354 | I | 38.8 | Very low | 37.1 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 76.5 | 128.6 | 166 | -58.5 | 169 | 0 | 0 | 0 | 115.7 | ||||
| 355 | T | 39.9 | Very low | 37.1 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | cis | -173.2 | 135.4 | -41.1 | 21.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 356 | S | 37.4 | Very low | 37.2 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | 54.6 | 148.4 | 153.8 | 56.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 357 | L | 35.6 | Very low | 37.1 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | cis | -140.6 | 161 | 21.4 | -171 | 59.8 | 0 | 0 | 0 | 113.3 | ||||
| 358 | E | 38 | Very low | 37.2 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 59% | 0.589 | 75% | 0.748 | S | S | * | * | trans | -64.2 | 171.6 | -177.4 | -52.3 | 174.1 | 105.5 | 0 | 0 | 114.3 | K360 | E358-K360 WeakPolarHBondContact OE1-CE 3.49Å; E358-K360 IonicContact OE1-NZ 2.61Å; E358-K360 PolarHBondContact OE1-NZ 2.86Å | ||
| 359 | N | 38.5 | Very low | 37.1 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | cis | -140.1 | 141.8 | 26.5 | -82.8 | -78.8 | 0 | 0 | 0 | 112.3 | ||||
| 360 | K | 35 | Very low | 37.2 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | 52.5 | 134.5 | 94.3 | -46.9 | -177.5 | -168.6 | 115.3 | 0 | 113.9 | E358 | E358-K360 WeakPolarHBondContact OE1-CE 3.49Å; E358-K360 IonicContact OE1-NZ 2.61Å; E358-K360 PolarHBondContact OE1-NZ 2.86Å | |||
| 361 | T | 35.9 | Very low | 37.1 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | cis | -159.2 | 160.4 | 26.8 | -30.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 362 | A | 36.5 | Very low | 37 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | 64.6 | 126.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 363 | S | 34.6 | Very low | 36.7 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | 71.5 | 122.1 | 57.5 | -152.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 364 | T | 38.2 | Very low | 36.8 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | cis | -160.2 | 157.1 | 18.2 | -19.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 365 | C | 34 | Very low | 36.8 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 92% | 0.919 | 77% | 0.772 | S | S | * | * | trans | 71.4 | 151.8 | 158 | -155.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 366 | G | 37.7 | Very low | 36.9 | Very low | 61 Ų | 61 | 141.5 Ų | 141.5 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | 96 | 79.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | S368 | G366-S368 PolarHBondContact O-N 2.93Š| ||
| 367 | K | 33.8 | Very low | 37.4 | Very low | 222 Ų | 222 | 144.2 Ų | 144.2 | 97% | 0.965 | 78% | 0.784 | S | S | * | * | trans | -78 | 76.9 | 172.2 | -72 | -177 | 177.6 | 178.1 | 0 | 112.5 | ||||
| 368 | S | 39.5 | Very low | 37.4 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 137 | 160.8 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | G366 | G366-S368 PolarHBondContact O-N 2.93Š|
| 369 | R | 38.9 | Very low | 37.2 | Very low | 241 Ų | 241 | 138.4 Ų | 138.4 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 126.5 | -177.1 | -165 | 174.3 | -174.5 | 170.6 | 0.2 | 109.4 | ||
| 370 | L | 37 | Very low | 37.3 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 135.3 | -177.5 | -77.9 | 160.2 | 0 | 0 | 0 | 112.2 | ||
| 371 | F | 34.3 | Very low | 37.2 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 83% | 0.833 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 129.1 | 165.2 | -81.3 | -99.4 | 0 | 0 | 0 | 109.8 | S373 | F371-S373 PolarHBondContact O-N 2.75Š|
| 372 | S | 37.9 | Very low | 37.2 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -91.9 | 87.5 | 165.4 | -63.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 373 | S | 33.3 | Very low | 37.3 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 69% | 0.685 | 83% | 0.826 | S | S | * | * | trans | -115.3 | 97.5 | 177.6 | 58.1 | 0 | 0 | 0 | 0 | 111 | F371 E375 | F371-S373 PolarHBondContact O-N 2.75Å; S373-E375 PolarHBondContact O-N 3.42Å | ||
| 374 | T | 38 | Very low | 37.2 | Very low | 130 Ų | 130 | 150.6 Ų | 150.6 | 80% | 0.798 | 84% | 0.837 | S | S | * | * | trans | -87 | 102.2 | 178 | -49.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 375 | E | 38.6 | Very low | 36.9 | Very low | 160 Ų | 160 | 150 Ų | 150 | 75% | 0.748 | 84% | 0.838 | S | S | * | * | trans | 26.8 | 125.2 | 145.7 | -50 | -173.5 | 114.1 | 0 | 0 | 120 | S373 | S373-E375 PolarHBondContact O-N 3.42Š| ||
| 376 | R | 41.5 | Very low | 37.1 | Very low | 223 Ų | 223 | 150.5 Ų | 150.5 | 84% | 0.842 | 83% | 0.831 | S | S | * | * | -170.1 | 124.8 | 91.9 | -98.5 | 171 | 176.2 | -172.2 | -2.9 | 113.4 | |||||
| 377 | L | 48.7 | Very low | 37 | Very low | 169 Ų | 169 | 155 Ų | 155 | 89% | 0.885 | 84% | 0.84 | S | S | * | * | trans | 43.6 | 120 | 139.7 | -49.6 | 172.7 | 0 | 0 | 0 | 119.1 | ||||
| 378 | G | 36.7 | Very low | 37.2 | Very low | 76 Ų | 76 | 152.5 Ų | 152.5 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | cis | 150 | 142.4 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 379 | G | 32.6 | Very low | 36.9 | Very low | 79 Ų | 79 | 152.1 Ų | 152.1 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | 71.2 | 139.7 | 171 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 380 | V | 41.4 | Very low | 36.7 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | cis | -152.5 | 126.7 | 43.3 | 171.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 381 | S | 32.8 | Very low | 36.6 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -136.4 | 76.3 | 171.5 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 382 | R | 35.6 | Very low | 36.4 | Very low | 234 Ų | 234 | 144.3 Ų | 144.3 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -144.6 | 162.9 | 167.4 | -74.2 | -164.9 | 168.1 | -176.4 | -4.8 | 109.9 | ||||
| 383 | L | 38 | Very low | 36.5 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | 75.2 | 74.6 | -175.2 | -52.6 | 179.4 | 0 | 0 | 0 | 115.4 | ||||
| 384 | N | 32.8 | Very low | 36.7 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 94% | 0.941 | 82% | 0.824 | S | S | * | * | trans | -141.8 | 62.8 | 152.8 | -133.4 | 1.2 | 0 | 0 | 0 | 109.9 | ||||
| 385 | S | 32.8 | Very low | 37 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | -161.9 | 92.9 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 386 | L | 36.8 | Very low | 37.1 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | -170.5 | 109.6 | 129.2 | -149.3 | 69.3 | 0 | 0 | 0 | 109.6 | |||||
| 387 | N | 35.2 | Very low | 37.1 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -113.4 | 105.8 | 170 | -95.2 | -38.7 | 0 | 0 | 0 | 108.5 | ||||
| 388 | H | 38.6 | Very low | 36.5 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 78% | 0.782 | 82% | 0.822 | S | S | * | * | trans | -140.2 | 106 | 166.9 | -77.6 | -57 | 0 | 0 | 0 | 110.6 | ||||
| 389 | P | 34.1 | Very low | 36.7 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 68% | 0.675 | 83% | 0.826 | S | S | * | * | trans | -96 | 176.4 | 166 | 38.4 | -32.9 | 0 | 0 | 0 | 111.3 | ||||
| 390 | I | 34.9 | Very low | 36.9 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 77% | 0.774 | 83% | 0.825 | S | S | * | * | trans | 76.4 | 139.7 | 172.6 | -49 | 161.2 | 0 | 0 | 0 | 111.3 | ||||
| 391 | Q | 33.8 | Very low | 36.8 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | cis | -132.5 | -174.8 | 14.3 | -146.6 | 153.9 | 48.6 | 0 | 0 | 112.8 | ||||
| 392 | A | 29.8 | Very low | 37 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | trans | -129.4 | 151.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 393 | S | 39.7 | Very low | 36.9 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -141.8 | 165.7 | 165.3 | 60.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 394 | K | 37.9 | Very low | 37 | Very low | 201 Ų | 201 | 146.1 Ų | 146.1 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -127.8 | -155.7 | -166.9 | -60.6 | -177.8 | 178.6 | 175.4 | 0 | 112.1 | ||||
| 395 | P | 44.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | -134.8 | 162.3 | -95.3 | 42.3 | -25.2 | 0 | 0 | 0 | 116.1 | |||||
| 396 | R | 41.2 | Very low | 37.3 | Very low | 239 Ų | 239 | 148 Ų | 148 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 178.6 | 158.2 | 157.5 | -112.1 | 169.3 | 171.4 | 162.4 | -5.2 | 109 | ||||
| 397 | T | 40.5 | Very low | 37.4 | Very low | 126 Ų | 126 | 150 Ų | 150 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | cis | -155.3 | 152.6 | 6.3 | -29.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 398 | G | 37.7 | Very low | 37.6 | Very low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | 62.9 | 148.7 | 154 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 399 | S | 40.3 | Very low | 37.5 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | cis | -144.1 | 169.4 | -1 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 400 | K | 36.8 | Very low | 37.6 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -84.9 | 154.6 | 173.6 | -60.5 | 172 | 178.8 | 174 | 0 | 110.7 | ||||
| 401 | L | 39.4 | Very low | 37.7 | Very low | 173 Ų | 173 | 146 Ų | 146 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | -162.9 | 157.5 | 112.9 | -102.7 | 167.7 | 0 | 0 | 0 | 110.3 | |||||
| 402 | N | 36.1 | Very low | 37.7 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -110.5 | 161.5 | -170.1 | -69.8 | -16.3 | 0 | 0 | 0 | 111.8 | ||||
| 403 | S | 34.5 | Very low | 38.1 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | 62 | 116.1 | 144.4 | 177.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 404 | I | 40.6 | Very low | 38.1 | Very low | 160 Ų | 160 | 146 Ų | 146 | 82% | 0.821 | 81% | 0.805 | S | S | * | * | -151.1 | 152.3 | 116.4 | -98 | 145 | 0 | 0 | 0 | 108 | |||||
| 405 | N | 34.2 | Very low | 38 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | -132.2 | 107 | -174.3 | 166.4 | 42.3 | 0 | 0 | 0 | 108.9 | ||||
| 406 | E | 37.7 | Very low | 37.6 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -146 | 156.3 | 179.7 | -164.2 | 152.5 | -137.3 | 0 | 0 | 112.2 | ||||
| 407 | K | 37.1 | Very low | 37.3 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -116.3 | 109.8 | -165.2 | -62 | 174.8 | -176.6 | 172.1 | 0 | 112.3 | ||||
| 408 | V | 40.1 | Very low | 37.5 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -137.3 | 109.8 | 163.4 | -174 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 409 | S | 37.6 | Very low | 37.5 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | cis | 79.9 | 94.1 | 37.3 | -156.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 410 | V | 35.1 | Very low | 37.9 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | trans | 57.9 | 135.1 | 167.6 | -109.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 411 | N | 37.7 | Very low | 38.5 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | -157.6 | 167 | 50.1 | -75.9 | -70.7 | 0 | 0 | 0 | 113.2 | |||||
| 412 | T | 32.5 | Very low | 39.1 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -84.5 | 125.8 | 172.1 | 40.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 413 | S | 38.6 | Very low | 39.7 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -170.8 | 148 | 159 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 414 | L | 41 | Very low | 40.4 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | cis | 178.2 | 139.2 | -24.6 | -174.9 | 81.1 | 0 | 0 | 0 | 104 | ||||
| 415 | N | 35.4 | Very low | 40.9 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | 59.1 | 126 | 166.5 | -65.9 | -17.4 | 0 | 0 | 0 | 120.5 | ||||
| 416 | G | 35 | Very low | 41.7 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 175.3 | 35.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 417 | C | 35.9 | Very low | 42.5 | Very low | 124 Ų | 124 | 135 Ų | 135 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -168.6 | 122.1 | 154.9 | -118.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 418 | S | 44.3 | Very low | 43.4 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | 38 | 86.8 | 140.7 | 55 | 0 | 0 | 0 | 0 | 122.4 | K420 | S418-K420 PolarHBondContact O-N 3.25Š| ||
| 419 | N | 38.6 | Very low | 44.2 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | -73.4 | 96.9 | 157.6 | -85.4 | -53.8 | 0 | 0 | 0 | 112.3 | ||||
| 420 | K | 48.8 | Very low | 45.9 | Very low | 196 Ų | 196 | 128.1 Ų | 128.1 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | trans | -139 | 6.5 | 171.6 | -82.7 | -161 | 175.1 | -177.1 | 0 | 118.3 | S418 | S418-K420 PolarHBondContact O-N 3.25Š| ||
| 421 | H | 48.6 | Very low | 48 | Very low | 168 Ų | 168 | 125.9 Ų | 125.9 | 78% | 0.778 | 71% | 0.713 | S | S | * | * | trans | -107.1 | -2 | -171.7 | -92.7 | -75.8 | 0 | 0 | 0 | 118.2 | N423 | H421-N423 PolarHBondContact O-N 3.42Š| ||
| 422 | K | 52.9 | Low | 50.1 | Low | 184 Ų | 184 | 125.3 Ų | 125.3 | 80% | 0.8 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -20.4 | -164.6 | -93.4 | -176.3 | 173.4 | 179.5 | 0 | 117.6 | ||
| 423 | N | 48.3 | Very low | 52.5 | Low | 164 Ų | 164 | 124.1 Ų | 124.1 | 88% | 0.877 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 1.7 | -167.8 | -66.1 | 10.3 | 0 | 0 | 0 | 115.4 | H421 | H421-N423 PolarHBondContact O-N 3.42Š|
| 424 | R | 49.5 | Very low | 54.7 | Low | 218 Ų | 218 | 124.7 Ų | 124.7 | 82% | 0.823 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -101.2 | -7.3 | -176.7 | -128.3 | 177.8 | -172.2 | 178.6 | 2.4 | 115.1 | ||
| 425 | S | 50.5 | Low | 56.8 | Low | 78 Ų | 78 | 126.4 Ų | 126.4 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -89.7 | -17.4 | -169.5 | -55.8 | 0 | 0 | 0 | 0 | 115.3 | L429 | S425-L429 WeakPolarHBondContact O-CG 2.99Å |
| 426 | G | 50.5 | Low | 59.2 | Low | 53 Ų | 53 | 123.7 Ų | 123.7 | 55% | 0.546 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -71.4 | -51.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V428 L429 S430 | G426-V428 PolarHBondContact O-N 2.94Å; G426-L429 PolarHBondContact O-N 3.32Å; G426-L429 VanDerWaalsContact O-N 3.15Å; G426-S430 PolarHBondContact O-N 3.46Å |
| 427 | S | 55.3 | Low | 61.6 | Low | 78 Ų | 78 | 123.6 Ų | 123.6 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -59.5 | -42.4 | -178.2 | 145.3 | 0 | 0 | 0 | 0 | 112.5 | L429 S430 D431 | S427-L429 PolarHBondContact O-N 3.08Å; S427-S430 WeakPolarHBondContact O-CB 3.36Å; S427-S430 PolarHBondContact O-N 3.37Å; S427-D431 PolarHBondContact O-N 3.42Å |
| 428 | V | 56 | Low | 64.1 | Low | 100 Ų | 100 | 120.3 Ų | 120.3 | 61% | 0.606 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64 | -25.8 | -179.4 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | G426 K432 | G426-V428 PolarHBondContact O-N 2.94Å; V428-K432 WeakPolarHBondContact O-CB 3.49Å; V428-K432 PolarHBondContact O-N 3.2Å |
| 429 | L | 57.2 | Low | 66.4 | Low | 116 Ų | 116 | 122.4 Ų | 122.4 | 61% | 0.607 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.4 | -41.2 | 172.1 | -66.7 | 173.3 | 0 | 0 | 0 | 111.5 | S425 G426 S427 K432 E433 | S425-L429 WeakPolarHBondContact O-CG 2.99Å; G426-L429 PolarHBondContact O-N 3.32Å; G426-L429 VanDerWaalsContact O-N 3.15Å; S427-L429 PolarHBondContact O-N 3.08Å; L429-K432 WeakPolarHBondContact O-CB 3.49Å; L429-K432 PolarHBondContact O-N 2.94Å; L429-E433 PolarHBondContact O-N 3.12Å |
| 430 | S | 72.8 | Confident | 68.8 | Low | 58 Ų | 58 | 121.2 Ų | 121.2 | 41% | 0.406 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.4 | -48.4 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | G426 S427 K432 E433 Q434 | G426-S430 PolarHBondContact O-N 3.46Å; S427-S430 WeakPolarHBondContact O-CB 3.36Å; S427-S430 PolarHBondContact O-N 3.37Å; S430-K432 PolarHBondContact O-N 3.14Å; S430-E433 PolarHBondContact O-N 3.43Å; S430-E433 VanDerWaalsContact O-N 3.17Å; S430-Q434 WeakPolarHBondContact O-CG 3.5Å; S430-Q434 PolarHBondContact O-N 2.89Å |
| 431 | D | 78.1 | Confident | 70.9 | Confident | 71 Ų | 71 | 117.6 Ų | 117.6 | 38% | 0.38 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.8 | -35.5 | 176.4 | -76.5 | 30.5 | 0 | 0 | 0 | 112.1 | S427 R435 | S427-D431 PolarHBondContact O-N 3.42Å; D431-R435 WeakPolarHBondContact O-CB 3.01Å; D431-R435 WeakPolarHBondContact O-CD 3.41Å; D431-R435 WeakPolarHBondContact O-CG 3.44Å; D431-R435 PolarHBondContact O-N 3.48Å; D431-R435 VanDerWaalsContact O-N 3.14Å |
| 432 | K | 82.5 | Confident | 72.9 | Confident | 138 Ų | 138 | 113 Ų | 113 | 60% | 0.6 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.2 | -41.4 | 177.4 | -172.1 | -179.3 | 176.6 | -172.7 | 0 | 111.4 | V428 L429 S430 R435 M436 | V428-K432 WeakPolarHBondContact O-CB 3.49Å; V428-K432 PolarHBondContact O-N 3.2Å; L429-K432 WeakPolarHBondContact O-CB 3.49Å; L429-K432 PolarHBondContact O-N 2.94Å; S430-K432 PolarHBondContact O-N 3.14Å; K432-R435 PolarHBondContact O-N 3.42Å; K432-M436 WeakPolarHBondContact O-CG 3.38Å; K432-M436 PolarHBondContact O-N 2.78Å; K432-M436 VanDerWaalsContact O-N 3.07Å |
| 433 | E | 82.9 | Confident | 74.6 | Confident | 118 Ų | 118 | 110.6 Ų | 110.6 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.3 | -49.2 | 177.2 | -158.4 | 62.7 | -152.3 | 0 | 0 | 110.8 | L429 S430 R435 M436 E437 | L429-E433 PolarHBondContact O-N 3.12Å; S430-E433 PolarHBondContact O-N 3.43Å; S430-E433 VanDerWaalsContact O-N 3.17Å; E433-R435 VanDerWaalsContact C-N 3.3Å; E433-R435 PolarHBondContact O-N 2.96Å; E433-M436 WeakPolarHBondContact O-CA 3.28Å; E433-M436 WeakPolarHBondContact O-CB 3.48Å; E433-M436 PolarHBondContact O-N 2.96Å; E433-E437 PolarHBondContact O-N 3.3Å |
| 434 | Q | 84.6 | Confident | 76.6 | Confident | 128 Ų | 128 | 107.5 Ų | 107.5 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -57.7 | -40.2 | 175.7 | -70.9 | -179 | 5.2 | 0 | 0 | 112.5 | S430 M436 E437 A438 | S430-Q434 WeakPolarHBondContact O-CG 3.5Å; S430-Q434 PolarHBondContact O-N 2.89Å; Q434-M436 VanDerWaalsContact C-N 3.31Å; Q434-M436 PolarHBondContact O-N 3.13Å; Q434-E437 PolarHBondContact O-N 3.1Å; Q434-A438 VanDerWaalsContact O-CB 3.32Å; Q434-A438 WeakPolarHBondContact O-CB 3.34Å; Q434-A438 PolarHBondContact O-N 3.43Å |
| 435 | R | 85.6 | Confident | 78.6 | Confident | 177 Ų | 177 | 102 Ų | 102 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.3 | -22.7 | 175.2 | -73.7 | 173.2 | -168.9 | -160.8 | 5.9 | 113.9 | D431 K432 E433 K439 | D431-R435 WeakPolarHBondContact O-CB 3.01Å; D431-R435 WeakPolarHBondContact O-CD 3.41Å; D431-R435 WeakPolarHBondContact O-CG 3.44Å; D431-R435 PolarHBondContact O-N 3.48Å; D431-R435 VanDerWaalsContact O-N 3.14Å; K432-R435 PolarHBondContact O-N 3.42Å; E433-R435 VanDerWaalsContact C-N 3.3Å; E433-R435 PolarHBondContact O-N 2.96Å; R435-K439 WeakPolarHBondContact O-CD 3.35Å; R435-K439 VanDerWaalsContact O-CG 3.3Å; R435-K439 WeakPolarHBondContact O-CG 3.4Å |
| 436 | M | 84.8 | Confident | 80.5 | Confident | 94 Ų | 94 | 104.3 Ų | 104.3 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -81.9 | -38.3 | 172.3 | -72 | -60.7 | -61 | 0 | 0 | 111.1 | K432 E433 Q434 K439 R440 | K432-M436 WeakPolarHBondContact O-CG 3.38Å; K432-M436 PolarHBondContact O-N 2.78Å; K432-M436 VanDerWaalsContact O-N 3.07Å; E433-M436 WeakPolarHBondContact O-CA 3.28Å; E433-M436 WeakPolarHBondContact O-CB 3.48Å; E433-M436 PolarHBondContact O-N 2.96Å; Q434-M436 VanDerWaalsContact C-N 3.31Å; Q434-M436 PolarHBondContact O-N 3.13Å; M436-K439 WeakPolarHBondContact O-CB 3.44Å; M436-K439 PolarHBondContact O-N 3.39Å; M436-R440 PolarHBondContact O-N 3.2Å; M436-R440 VanDerWaalsContact O-N 3.1Å |
| 437 | E | 85.8 | Confident | 82.3 | Confident | 73 Ų | 73 | 106.5 Ų | 106.5 | 34% | 0.341 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.5 | -42 | 177.7 | -163.7 | 52.5 | -128.3 | 0 | 0 | 112.1 | E433 Q434 K439 R440 Q441 | E433-E437 PolarHBondContact O-N 3.3Å; Q434-E437 PolarHBondContact O-N 3.1Å; E437-K439 PolarHBondContact O-N 3.21Å; E437-R440 WeakPolarHBondContact O-CA 3.42Å; E437-R440 WeakPolarHBondContact O-CB 3.22Å; E437-R440 PolarHBondContact O-N 3.11Å; E437-R440 WeakPolarHBondContact OE2-CD 3.5Å; E437-R440 IonicContact OE2-CZ 3.17Å; E437-R440 IonicContact OE2-NE 2.66Å; E437-R440 IonicContact OE2-NH1 2.86Å; E437-R440 PolarHBondContact OE2-NH1 3.1Å; E437-Q441 WeakPolarHBondContact O-CG 3.38Å; E437-Q441 PolarHBondContact O-N 3.03Å |
| 438 | A | 89.7 | Confident | 84.1 | Confident | 56 Ų | 56 | 108.8 Ų | 108.8 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.4 | -32 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q434 V442 | Q434-A438 VanDerWaalsContact O-CB 3.32Å; Q434-A438 WeakPolarHBondContact O-CB 3.34Å; Q434-A438 PolarHBondContact O-N 3.43Å; A438-V442 WeakPolarHBondContact O-CG2 3.38Å; A438-V442 PolarHBondContact O-N 3.13Å; A438-V442 VanDerWaalsContact O-N 3.15Å |
| 439 | K | 91 | Very high | 85.8 | Confident | 146 Ų | 146 | 108.7 Ų | 108.7 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -74.8 | -29.5 | 173.7 | -75.5 | 177 | 178.8 | -173.6 | 0 | 113.4 | R435 M436 E437 F443 | R435-K439 WeakPolarHBondContact O-CD 3.35Å; R435-K439 VanDerWaalsContact O-CG 3.3Å; R435-K439 WeakPolarHBondContact O-CG 3.4Å; M436-K439 WeakPolarHBondContact O-CB 3.44Å; M436-K439 PolarHBondContact O-N 3.39Å; E437-K439 PolarHBondContact O-N 3.21Å; K439-F443 WeakPolarHBondContact O-CB 3.33Å; K439-F443 PolarHBondContact O-N 3.07Å |
| 440 | R | 90.4 | Very high | 87.3 | Confident | 132 Ų | 132 | 110.6 Ų | 110.6 | 50% | 0.498 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.2 | -48.8 | 171.3 | -73.7 | 166.2 | 168.7 | 162.7 | -0.5 | 110.7 | M436 E437 V442 F443 I444 | M436-R440 PolarHBondContact O-N 3.2Å; M436-R440 VanDerWaalsContact O-N 3.1Å; E437-R440 WeakPolarHBondContact O-CA 3.42Å; E437-R440 WeakPolarHBondContact O-CB 3.22Å; E437-R440 PolarHBondContact O-N 3.11Å; E437-R440 WeakPolarHBondContact OE2-CD 3.5Å; E437-R440 IonicContact OE2-CZ 3.17Å; E437-R440 IonicContact OE2-NE 2.66Å; E437-R440 IonicContact OE2-NH1 2.86Å; E437-R440 PolarHBondContact OE2-NH1 3.1Å; R440-V442 PolarHBondContact O-N 2.69Å; R440-F443 WeakPolarHBondContact O-CB 3.31Å; R440-F443 PolarHBondContact O-N 2.79Å; R440-F443 VanDerWaalsContact O-N 3.08Å; R440-I444 WeakPolarHBondContact O-CG1 3.5Å; R440-I444 PolarHBondContact O-N 3.1Å |
| 441 | Q | 91.5 | Very high | 88.1 | Confident | 119 Ų | 119 | 112.8 Ų | 112.8 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -51.2 | -54.8 | 175.5 | -69.4 | -78.1 | -8.7 | 0 | 0 | 111.6 | E437 F443 I444 E445 | E437-Q441 WeakPolarHBondContact O-CG 3.38Å; E437-Q441 PolarHBondContact O-N 3.03Å; Q441-F443 VanDerWaalsContact C-N 3.28Å; Q441-F443 PolarHBondContact O-N 3.43Å; Q441-I444 PolarHBondContact O-N 2.7Å; Q441-I444 VanDerWaalsContact O-N 3.14Å; Q441-E445 PolarHBondContact O-N 3.34Å |
| 442 | V | 90.4 | Very high | 88.7 | Confident | 72 Ų | 72 | 115.1 Ų | 115.1 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -32.3 | 178.4 | 171.6 | 0 | 0 | 0 | 0 | 112.8 | A438 R440 Q446 | A438-V442 WeakPolarHBondContact O-CG2 3.38Å; A438-V442 PolarHBondContact O-N 3.13Å; A438-V442 VanDerWaalsContact O-N 3.15Å; R440-V442 PolarHBondContact O-N 2.69Å; V442-Q446 WeakPolarHBondContact O-CB 3.17Å; V442-Q446 VanDerWaalsContact O-CG 3.27Å; V442-Q446 WeakPolarHBondContact O-CG 3.35Å; V442-Q446 PolarHBondContact O-N 2.89Å; V442-Q446 VanDerWaalsContact O-N 3.07Å |
| 443 | F | 89.6 | Confident | 89.1 | Confident | 134 Ų | 134 | 117 Ų | 117 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.1 | -38.9 | 174.9 | -178.7 | -96.8 | 0 | 0 | 0 | 112.3 | K439 R440 Q441 Q446 M447 | K439-F443 WeakPolarHBondContact O-CB 3.33Å; K439-F443 PolarHBondContact O-N 3.07Å; R440-F443 WeakPolarHBondContact O-CB 3.31Å; R440-F443 PolarHBondContact O-N 2.79Å; R440-F443 VanDerWaalsContact O-N 3.08Å; Q441-F443 VanDerWaalsContact C-N 3.28Å; Q441-F443 PolarHBondContact O-N 3.43Å; F443-Q446 PolarHBondContact O-N 3.05Å; F443-M447 HydrophobicContact CD1-CG 4.32Å; F443-M447 HydrophobicContact CE1-CG 3.87Å; F443-M447 HydrophobicContact CE2-CG 4.4Å; F443-M447 HydrophobicContact CZ-CG 3.91Å; F443-M447 HydrophobicContact CZ-SD 4.23Å; F443-M447 WeakPolarHBondContact O-CG 3.25Å; F443-M447 PolarHBondContact O-N 3.4Å |
| 444 | I | 90.9 | Very high | 89.5 | Confident | 98 Ų | 98 | 115.7 Ų | 115.7 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 175.4 | -66.6 | 162.8 | 0 | 0 | 0 | 109.8 | R440 Q441 Q446 M447 E448 | R440-I444 WeakPolarHBondContact O-CG1 3.5Å; R440-I444 PolarHBondContact O-N 3.1Å; Q441-I444 PolarHBondContact O-N 2.7Å; Q441-I444 VanDerWaalsContact O-N 3.14Å; I444-Q446 VanDerWaalsContact C-N 3.31Å; I444-Q446 PolarHBondContact O-N 2.67Å; I444-M447 PolarHBondContact O-N 2.84Å; I444-E448 PolarHBondContact O-N 3.04Å |
| 445 | E | 91.2 | Very high | 89.7 | Confident | 104 Ų | 104 | 115.6 Ų | 115.6 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.8 | -43 | 176.8 | -167 | -154.3 | 146.3 | 0 | 0 | 111.6 | Q441 M447 E448 K449 | Q441-E445 PolarHBondContact O-N 3.34Å; E445-M447 VanDerWaalsContact C-N 3.33Å; E445-M447 PolarHBondContact O-N 2.9Å; E445-E448 PolarHBondContact O-N 2.92Å; E445-K449 WeakPolarHBondContact O-CB 3.28Å; E445-K449 PolarHBondContact O-N 3.17Å; E445-K449 IonicContact OE1-NZ 2.67Å |
| 446 | Q | 89.1 | Confident | 90 | Very high | 125 Ų | 125 | 110 Ų | 110 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -32.4 | 176.9 | -77.4 | -178.2 | 23.9 | 0 | 0 | 113.5 | V442 F443 I444 R450 | V442-Q446 WeakPolarHBondContact O-CB 3.17Å; V442-Q446 VanDerWaalsContact O-CG 3.27Å; V442-Q446 WeakPolarHBondContact O-CG 3.35Å; V442-Q446 PolarHBondContact O-N 2.89Å; V442-Q446 VanDerWaalsContact O-N 3.07Å; F443-Q446 PolarHBondContact O-N 3.05Å; I444-Q446 VanDerWaalsContact C-N 3.31Å; I444-Q446 PolarHBondContact O-N 2.67Å; Q446-R450 WeakPolarHBondContact O-CB 3.28Å; Q446-R450 PolarHBondContact O-N 3.42Å |
| 447 | M | 89.2 | Confident | 90.3 | Very high | 100 Ų | 100 | 111.5 Ų | 111.5 | 49% | 0.493 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74.9 | -44.7 | 176.1 | -74 | -62.2 | -59.6 | 0 | 0 | 111.5 | F443 I444 E445 R450 E451 | F443-M447 HydrophobicContact CD1-CG 4.32Å; F443-M447 HydrophobicContact CE1-CG 3.87Å; F443-M447 HydrophobicContact CE2-CG 4.4Å; F443-M447 HydrophobicContact CZ-CG 3.91Å; F443-M447 HydrophobicContact CZ-SD 4.23Å; F443-M447 WeakPolarHBondContact O-CG 3.25Å; F443-M447 PolarHBondContact O-N 3.4Å; I444-M447 PolarHBondContact O-N 2.84Å; E445-M447 VanDerWaalsContact C-N 3.33Å; E445-M447 PolarHBondContact O-N 2.9Å; M447-R450 WeakPolarHBondContact O-CA 3.45Å; M447-R450 WeakPolarHBondContact O-CB 3.5Å; M447-R450 PolarHBondContact O-N 3.15Å; M447-R450 VanDerWaalsContact O-N 3.09Å; M447-E451 PolarHBondContact O-N 3.49Å |
| 448 | E | 92.2 | Very high | 90.6 | Very high | 125 Ų | 125 | 113.4 Ų | 113.4 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.3 | -47.9 | 175.7 | -178.7 | 170.7 | -152 | 0 | 0 | 111.5 | I444 E445 R450 E451 E452 | I444-E448 PolarHBondContact O-N 3.04Å; E445-E448 PolarHBondContact O-N 2.92Å; E448-R450 PolarHBondContact O-N 3.15Å; E448-R450 VanDerWaalsContact O-N 3.17Å; E448-E451 WeakPolarHBondContact O-CA 3.42Å; E448-E451 WeakPolarHBondContact O-CB 3.49Å; E448-E451 PolarHBondContact O-N 3.33Å; E448-E452 PolarHBondContact O-N 3.43Å |
| 449 | K | 92.5 | Very high | 90.7 | Very high | 98 Ų | 98 | 114.8 Ų | 114.8 | 43% | 0.426 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -21.6 | 174.8 | -164.8 | 172.3 | -152.2 | 147.9 | 0 | 113.4 | E445 R453 | E445-K449 WeakPolarHBondContact O-CB 3.28Å; E445-K449 PolarHBondContact O-N 3.17Å; E445-K449 IonicContact OE1-NZ 2.67Å; K449-R453 VanDerWaalsContact O-CD 3.29Å; K449-R453 WeakPolarHBondContact O-CD 3.46Å; K449-R453 WeakPolarHBondContact O-CG 3.47Å; K449-R453 PolarHBondContact O-N 3.02Å |
| 450 | R | 89.7 | Confident | 90.7 | Very high | 157 Ų | 157 | 110.4 Ų | 110.4 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -82.6 | -35.2 | 172.4 | -168.5 | 177.2 | -169.7 | 124.6 | 7.4 | 111.9 | Q446 M447 E448 L454 | Q446-R450 WeakPolarHBondContact O-CB 3.28Å; Q446-R450 PolarHBondContact O-N 3.42Å; M447-R450 WeakPolarHBondContact O-CA 3.45Å; M447-R450 WeakPolarHBondContact O-CB 3.5Å; M447-R450 PolarHBondContact O-N 3.15Å; M447-R450 VanDerWaalsContact O-N 3.09Å; E448-R450 PolarHBondContact O-N 3.15Å; E448-R450 VanDerWaalsContact O-N 3.17Å; R450-L454 PolarHBondContact O-N 3.12Å |
| 451 | E | 89.6 | Confident | 90.8 | Very high | 104 Ų | 104 | 108.2 Ų | 108.2 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.5 | -44.4 | 174 | -169.9 | -178.6 | 121.2 | 0 | 0 | 111.7 | M447 E448 R453 L454 R455 | M447-E451 PolarHBondContact O-N 3.49Å; E448-E451 WeakPolarHBondContact O-CA 3.42Å; E448-E451 WeakPolarHBondContact O-CB 3.49Å; E448-E451 PolarHBondContact O-N 3.33Å; E451-R453 PolarHBondContact O-N 3.27Å; E451-L454 CarbonylContact O-C 3.57Å; E451-L454 WeakPolarHBondContact O-CA 3.25Å; E451-L454 WeakPolarHBondContact O-CB 3.24Å; E451-L454 PolarHBondContact O-N 3.13Å; E451-R455 PolarHBondContact O-N 3.39Å; E451-R455 IonicContact OE1-CZ 2.81Å; E451-R455 IonicContact OE1-NH1 3.44Å; E451-R455 PolarHBondContact OE1-NH1 2.91Å; E451-R455 IonicContact OE1-NH2 3.44Å; E451-R455 PolarHBondContact OE1-NH2 3.47Å |
| 452 | E | 90.6 | Very high | 90.9 | Very high | 119 Ų | 119 | 108.4 Ų | 108.4 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.4 | -48.9 | 174.2 | -176.2 | -170.7 | -145.1 | 0 | 0 | 111.5 | E448 L454 R455 A456 | E448-E452 PolarHBondContact O-N 3.43Å; E452-L454 PolarHBondContact O-N 3.4Å; E452-R455 PolarHBondContact O-N 2.95Å; E452-A456 WeakPolarHBondContact O-CB 3.46Å; E452-A456 PolarHBondContact O-N 2.97Å |
| 453 | R | 89.5 | Confident | 90.9 | Very high | 178 Ų | 178 | 111.3 Ų | 111.3 | 67% | 0.672 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.6 | -33.8 | 174.1 | -75.9 | 171.8 | 174.4 | -171.6 | -5.1 | 112.9 | K449 E451 F457 | K449-R453 VanDerWaalsContact O-CD 3.29Å; K449-R453 WeakPolarHBondContact O-CD 3.46Å; K449-R453 WeakPolarHBondContact O-CG 3.47Å; K449-R453 PolarHBondContact O-N 3.02Å; E451-R453 PolarHBondContact O-N 3.27Å; R453-F457 WeakPolarHBondContact O-CB 3.45Å; R453-F457 PolarHBondContact O-N 3.12Å; R453-F457 VanDerWaalsContact O-N 3.09Å |
| 454 | L | 90.8 | Very high | 91 | Very high | 90 Ų | 90 | 111.9 Ų | 111.9 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -76 | -35 | 177.7 | -176.2 | 60.9 | 0 | 0 | 0 | 112.4 | R450 E451 E452 Q458 | R450-L454 PolarHBondContact O-N 3.12Å; E451-L454 CarbonylContact O-C 3.57Å; E451-L454 WeakPolarHBondContact O-CA 3.25Å; E451-L454 WeakPolarHBondContact O-CB 3.24Å; E451-L454 PolarHBondContact O-N 3.13Å; E452-L454 PolarHBondContact O-N 3.4Å; L454-Q458 WeakPolarHBondContact O-CG 3.43Å; L454-Q458 PolarHBondContact O-N 3.21Å; L454-Q458 PolarHBondContact O-NE2 3.34Å |
| 455 | R | 90.5 | Very high | 90.9 | Very high | 127 Ų | 127 | 113 Ų | 113 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -56.6 | 168.1 | -81.3 | -167 | -87.9 | -88.9 | -4.2 | 110.6 | E451 E452 F457 Q458 D459 | E451-R455 PolarHBondContact O-N 3.39Å; E451-R455 IonicContact OE1-CZ 2.81Å; E451-R455 IonicContact OE1-NH1 3.44Å; E451-R455 PolarHBondContact OE1-NH1 2.91Å; E451-R455 IonicContact OE1-NH2 3.44Å; E451-R455 PolarHBondContact OE1-NH2 3.47Å; E452-R455 PolarHBondContact O-N 2.95Å; R455-F457 PolarHBondContact O-N 2.9Å; R455-F457 VanDerWaalsContact O-N 3.15Å; R455-Q458 WeakPolarHBondContact O-CA 3.33Å; R455-Q458 WeakPolarHBondContact O-CB 3.42Å; R455-Q458 PolarHBondContact O-N 2.81Å; R455-D459 PolarHBondContact O-N 3.13Å |
| 456 | A | 91.7 | Very high | 90.9 | Very high | 58 Ų | 58 | 112.8 Ų | 112.8 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -55.9 | -36.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E452 A460 | E452-A456 WeakPolarHBondContact O-CB 3.46Å; E452-A456 PolarHBondContact O-N 2.97Å; A456-A460 VanDerWaalsContact O-CB 3.25Å; A456-A460 WeakPolarHBondContact O-CB 3.33Å; A456-A460 PolarHBondContact O-N 2.85Å |
| 457 | F | 91.5 | Very high | 91 | Very high | 126 Ų | 126 | 109.7 Ų | 109.7 | 55% | 0.553 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.3 | -42.1 | 173.2 | -177.8 | -95.7 | 0 | 0 | 0 | 112.8 | R453 R455 Q461 | R453-F457 WeakPolarHBondContact O-CB 3.45Å; R453-F457 PolarHBondContact O-N 3.12Å; R453-F457 VanDerWaalsContact O-N 3.09Å; R455-F457 PolarHBondContact O-N 2.9Å; R455-F457 VanDerWaalsContact O-N 3.15Å; F457-Q461 HydrophobicContact CD1-CG 4.32Å; F457-Q461 HydrophobicContact CE1-CG 3.99Å; F457-Q461 HydrophobicContact CZ-CG 4.19Å; F457-Q461 VanDerWaalsContact CZ-NE2 3.31Å; F457-Q461 VanDerWaalsContact O-CG 3.28Å; F457-Q461 WeakPolarHBondContact O-CG 3.37Å; F457-Q461 PolarHBondContact O-N 2.88Å |
| 458 | Q | 91.6 | Very high | 91 | Very high | 114 Ų | 114 | 112.9 Ų | 112.9 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 177.1 | -71.9 | 175.1 | 55.9 | 0 | 0 | 111.6 | L454 R455 A460 Q461 K462 | L454-Q458 WeakPolarHBondContact O-CG 3.43Å; L454-Q458 PolarHBondContact O-N 3.21Å; L454-Q458 PolarHBondContact O-NE2 3.34Å; R455-Q458 WeakPolarHBondContact O-CA 3.33Å; R455-Q458 WeakPolarHBondContact O-CB 3.42Å; R455-Q458 PolarHBondContact O-N 2.81Å; Q458-A460 PolarHBondContact O-N 2.99Å; Q458-Q461 PolarHBondContact O-N 3.13Å; Q458-K462 WeakPolarHBondContact O-CB 3.5Å; Q458-K462 PolarHBondContact O-N 2.86Å |
| 459 | D | 92.2 | Very high | 91 | Very high | 84 Ų | 84 | 114 Ų | 114 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.6 | -68.5 | -45.8 | 0 | 0 | 0 | 111.8 | R455 Q461 K462 Q463 | R455-D459 PolarHBondContact O-N 3.13Å; D459-Q461 PolarHBondContact O-N 3.37Å; D459-K462 PolarHBondContact O-N 2.81Å; D459-Q463 WeakPolarHBondContact O-CB 3.42Å; D459-Q463 WeakPolarHBondContact O-CG 3.45Å; D459-Q463 PolarHBondContact O-N 3.46Å |
| 460 | A | 91.1 | Very high | 91 | Very high | 54 Ų | 54 | 116.3 Ų | 116.3 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | A456 Q458 K464 | A456-A460 VanDerWaalsContact O-CB 3.25Å; A456-A460 WeakPolarHBondContact O-CB 3.33Å; A456-A460 PolarHBondContact O-N 2.85Å; Q458-A460 PolarHBondContact O-N 2.99Å; A460-K464 VanDerWaalsContact O-CB 3.24Å; A460-K464 WeakPolarHBondContact O-CB 3.48Å; A460-K464 PolarHBondContact O-N 2.85Å |
| 461 | Q | 91.8 | Very high | 91.1 | Very high | 87 Ų | 87 | 111.5 Ų | 111.5 | 41% | 0.407 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 174.1 | -66.5 | -70.8 | -0.7 | 0 | 0 | 111.7 | F457 Q458 D459 K464 M465 | F457-Q461 HydrophobicContact CD1-CG 4.32Å; F457-Q461 HydrophobicContact CE1-CG 3.99Å; F457-Q461 HydrophobicContact CZ-CG 4.19Å; F457-Q461 VanDerWaalsContact CZ-NE2 3.31Å; F457-Q461 VanDerWaalsContact O-CG 3.28Å; F457-Q461 WeakPolarHBondContact O-CG 3.37Å; F457-Q461 PolarHBondContact O-N 2.88Å; Q458-Q461 PolarHBondContact O-N 3.13Å; D459-Q461 PolarHBondContact O-N 3.37Å; Q461-K464 PolarHBondContact O-N 2.66Å; Q461-M465 WeakPolarHBondContact O-CG 3.19Å; Q461-M465 PolarHBondContact O-N 3.45Å |
| 462 | K | 93.5 | Very high | 91.2 | Very high | 123 Ų | 123 | 111.1 Ų | 111.1 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -53 | 174.4 | 179 | -179.4 | 170 | -174.9 | 0 | 111.2 | Q458 D459 K464 M465 E466 | Q458-K462 WeakPolarHBondContact O-CB 3.5Å; Q458-K462 PolarHBondContact O-N 2.86Å; D459-K462 PolarHBondContact O-N 2.81Å; K462-K464 VanDerWaalsContact C-N 3.28Å; K462-K464 PolarHBondContact O-N 3.04Å; K462-M465 WeakPolarHBondContact O-CB 3.36Å; K462-M465 PolarHBondContact O-N 3.07Å; K462-E466 WeakPolarHBondContact CE-OE1 3.37Å; K462-E466 WeakPolarHBondContact CG-OE1 2.88Å; K462-E466 WeakPolarHBondContact O-CG 3.42Å; K462-E466 PolarHBondContact O-N 3.05Å |
| 463 | Q | 90.8 | Very high | 91.2 | Very high | 133 Ų | 133 | 110.8 Ų | 110.8 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.5 | -39.9 | 176.1 | -72.6 | -179.3 | 8 | 0 | 0 | 112.1 | D459 M465 E466 A467 | D459-Q463 WeakPolarHBondContact O-CB 3.42Å; D459-Q463 WeakPolarHBondContact O-CG 3.45Å; D459-Q463 PolarHBondContact O-N 3.46Å; Q463-M465 VanDerWaalsContact C-N 3.34Å; Q463-M465 PolarHBondContact O-N 3.25Å; Q463-E466 PolarHBondContact O-N 3.09Å; Q463-A467 VanDerWaalsContact O-CB 3.25Å; Q463-A467 WeakPolarHBondContact O-CB 3.44Å; Q463-A467 PolarHBondContact O-N 3.26Å |
| 464 | K | 91.1 | Very high | 91.2 | Very high | 145 Ų | 145 | 108.4 Ų | 108.4 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -35.9 | 176 | -173.8 | 176.2 | -177.6 | 177.2 | 0 | 112.8 | A460 Q461 K462 R468 | A460-K464 VanDerWaalsContact O-CB 3.24Å; A460-K464 WeakPolarHBondContact O-CB 3.48Å; A460-K464 PolarHBondContact O-N 2.85Å; Q461-K464 PolarHBondContact O-N 2.66Å; K462-K464 VanDerWaalsContact C-N 3.28Å; K462-K464 PolarHBondContact O-N 3.04Å; K464-R468 WeakPolarHBondContact O-CB 3.46Å; K464-R468 PolarHBondContact O-N 3.46Å |
| 465 | M | 88.9 | Confident | 91.2 | Very high | 121 Ų | 121 | 112.9 Ų | 112.9 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.7 | -41.2 | 174.2 | -74.9 | -66.8 | -70.6 | 0 | 0 | 112.2 | Q461 K462 Q463 R468 K469 | Q461-M465 WeakPolarHBondContact O-CG 3.19Å; Q461-M465 PolarHBondContact O-N 3.45Å; K462-M465 WeakPolarHBondContact O-CB 3.36Å; K462-M465 PolarHBondContact O-N 3.07Å; Q463-M465 VanDerWaalsContact C-N 3.34Å; Q463-M465 PolarHBondContact O-N 3.25Å; M465-R468 PolarHBondContact O-N 3.45Å; M465-K469 PolarHBondContact O-N 3.24Å |
| 466 | E | 90.4 | Very high | 91.2 | Very high | 101 Ų | 101 | 113.5 Ų | 113.5 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 176.9 | -72 | 170.9 | 174.9 | 0 | 0 | 111.8 | K462 Q463 R468 K469 K470 | K462-E466 WeakPolarHBondContact CE-OE1 3.37Å; K462-E466 WeakPolarHBondContact CG-OE1 2.88Å; K462-E466 WeakPolarHBondContact O-CG 3.42Å; K462-E466 PolarHBondContact O-N 3.05Å; Q463-E466 PolarHBondContact O-N 3.09Å; E466-R468 VanDerWaalsContact C-N 3.29Å; E466-R468 PolarHBondContact O-N 2.96Å; E466-K469 WeakPolarHBondContact O-CB 3.39Å; E466-K469 PolarHBondContact O-N 3.16Å; E466-K469 VanDerWaalsContact O-N 3.12Å; E466-K470 PolarHBondContact O-N 3.24Å |
| 467 | A | 91.2 | Very high | 91.2 | Very high | 60 Ų | 60 | 115.3 Ų | 115.3 | 50% | 0.496 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.8 | -39.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | Q463 K470 A471 | Q463-A467 VanDerWaalsContact O-CB 3.25Å; Q463-A467 WeakPolarHBondContact O-CB 3.44Å; Q463-A467 PolarHBondContact O-N 3.26Å; A467-K470 PolarHBondContact O-N 2.81Å; A467-A471 WeakPolarHBondContact O-CB 3.47Å; A467-A471 PolarHBondContact O-N 2.9Å |
| 468 | R | 89.8 | Confident | 91.1 | Very high | 167 Ų | 167 | 111.8 Ų | 111.8 | 63% | 0.63 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.6 | -36 | 174.3 | -172 | -178.5 | -174.2 | -174.1 | 4.3 | 112.6 | K464 M465 E466 N472 | K464-R468 WeakPolarHBondContact O-CB 3.46Å; K464-R468 PolarHBondContact O-N 3.46Å; M465-R468 PolarHBondContact O-N 3.45Å; E466-R468 VanDerWaalsContact C-N 3.29Å; E466-R468 PolarHBondContact O-N 2.96Å; R468-N472 VanDerWaalsContact O-CG 3.31Å; R468-N472 PolarHBondContact O-N 3.46Å; R468-N472 VanDerWaalsContact O-N 3.13Å; R468-N472 PolarHBondContact O-ND2 3.02Å |
| 469 | K | 92.6 | Very high | 91.1 | Very high | 148 Ų | 148 | 110.7 Ų | 110.7 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -52.2 | 173 | -175.1 | 178.9 | 176 | -179.6 | 0 | 110.1 | M465 E466 A471 N472 E473 | M465-K469 PolarHBondContact O-N 3.24Å; E466-K469 WeakPolarHBondContact O-CB 3.39Å; E466-K469 PolarHBondContact O-N 3.16Å; E466-K469 VanDerWaalsContact O-N 3.12Å; K469-A471 PolarHBondContact O-N 3.17Å; K469-N472 WeakPolarHBondContact O-CB 3.47Å; K469-N472 PolarHBondContact O-N 3.44Å; K469-N472 VanDerWaalsContact O-N 3.12Å; K469-E473 WeakPolarHBondContact O-CB 3.38Å; K469-E473 PolarHBondContact O-N 3.17Å |
| 470 | K | 92.9 | Very high | 91 | Very high | 146 Ų | 146 | 111.9 Ų | 111.9 | 64% | 0.635 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56.3 | -46.2 | 178 | -173.8 | 177.3 | 178.3 | -179.3 | 0 | 112.5 | E466 A467 N472 E473 E474 | E466-K470 PolarHBondContact O-N 3.24Å; A467-K470 PolarHBondContact O-N 2.81Å; K470-N472 VanDerWaalsContact C-N 3.32Å; K470-N472 PolarHBondContact O-N 3.45Å; K470-E473 PolarHBondContact O-N 3.34Å; K470-E474 WeakPolarHBondContact O-CB 3.48Å; K470-E474 PolarHBondContact O-N 2.91Å |
| 471 | A | 90.5 | Very high | 91 | Very high | 56 Ų | 56 | 114.9 Ų | 114.9 | 46% | 0.463 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.8 | -29.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A467 K469 R475 | A467-A471 WeakPolarHBondContact O-CB 3.47Å; A467-A471 PolarHBondContact O-N 2.9Å; K469-A471 PolarHBondContact O-N 3.17Å; A471-R475 VanDerWaalsContact O-CB 3.27Å; A471-R475 WeakPolarHBondContact O-CB 3.49Å; A471-R475 PolarHBondContact O-N 3.26Å |
| 472 | N | 91.2 | Very high | 90.9 | Very high | 96 Ų | 96 | 119.7 Ų | 119.7 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73 | -38.6 | 172 | -76.3 | -25.2 | 0 | 0 | 0 | 111.9 | R468 K469 K470 R475 F476 | R468-N472 VanDerWaalsContact O-CG 3.31Å; R468-N472 PolarHBondContact O-N 3.46Å; R468-N472 VanDerWaalsContact O-N 3.13Å; R468-N472 PolarHBondContact O-ND2 3.02Å; K469-N472 WeakPolarHBondContact O-CB 3.47Å; K469-N472 PolarHBondContact O-N 3.44Å; K469-N472 VanDerWaalsContact O-N 3.12Å; K470-N472 VanDerWaalsContact C-N 3.32Å; K470-N472 PolarHBondContact O-N 3.45Å; N472-R475 PolarHBondContact O-N 2.95Å; N472-F476 PolarHBondContact O-N 3.11Å |
| 473 | E | 91.1 | Very high | 90.6 | Very high | 112 Ų | 112 | 120.3 Ų | 120.3 | 52% | 0.523 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.6 | -47.3 | 178.9 | -174.6 | 171.1 | -177.7 | 0 | 0 | 111.4 | K469 K470 R475 F476 L477 | K469-E473 WeakPolarHBondContact O-CB 3.38Å; K469-E473 PolarHBondContact O-N 3.17Å; K470-E473 PolarHBondContact O-N 3.34Å; E473-R475 VanDerWaalsContact C-N 3.3Å; E473-R475 PolarHBondContact O-N 3.04Å; E473-F476 WeakPolarHBondContact O-CB 3.28Å; E473-F476 PolarHBondContact O-N 3.29Å; E473-F476 VanDerWaalsContact O-N 3.08Å; E473-L477 WeakPolarHBondContact O-CG 3.25Å; E473-L477 PolarHBondContact O-N 3.36Å |
| 474 | E | 90.9 | Very high | 90.5 | Very high | 129 Ų | 129 | 119.3 Ų | 119.3 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -56.8 | -42.9 | 171.2 | -174.1 | 180 | 163.3 | 0 | 0 | 111.7 | K470 F476 L477 A478 | K470-E474 WeakPolarHBondContact O-CB 3.48Å; K470-E474 PolarHBondContact O-N 2.91Å; E474-F476 VanDerWaalsContact C-N 3.35Å; E474-F476 PolarHBondContact O-N 2.96Å; E474-L477 PolarHBondContact O-N 2.88Å; E474-A478 WeakPolarHBondContact O-CB 3.4Å; E474-A478 PolarHBondContact O-N 2.83Å |
| 475 | R | 90 | Very high | 90.2 | Very high | 183 Ų | 183 | 117.7 Ų | 117.7 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65 | -35.5 | 175.1 | -175.2 | 179.5 | -179.1 | -168.6 | 1.4 | 112.9 | A471 N472 E473 V479 | A471-R475 VanDerWaalsContact O-CB 3.27Å; A471-R475 WeakPolarHBondContact O-CB 3.49Å; A471-R475 PolarHBondContact O-N 3.26Å; N472-R475 PolarHBondContact O-N 2.95Å; E473-R475 VanDerWaalsContact C-N 3.3Å; E473-R475 PolarHBondContact O-N 3.04Å; R475-V479 WeakPolarHBondContact O-CG2 3.34Å; R475-V479 PolarHBondContact O-N 3.05Å; R475-V479 VanDerWaalsContact O-N 3.12Å |
| 476 | F | 89.7 | Confident | 89.7 | Confident | 141 Ų | 141 | 117.1 Ų | 117.1 | 62% | 0.618 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.2 | -48.5 | 175.7 | 179.3 | -93.7 | 0 | 0 | 0 | 110.8 | N472 E473 E474 A478 V479 Q480 | N472-F476 PolarHBondContact O-N 3.11Å; E473-F476 WeakPolarHBondContact O-CB 3.28Å; E473-F476 PolarHBondContact O-N 3.29Å; E473-F476 VanDerWaalsContact O-N 3.08Å; E474-F476 VanDerWaalsContact C-N 3.35Å; E474-F476 PolarHBondContact O-N 2.96Å; F476-A478 VanDerWaalsContact C-N 3.35Å; F476-A478 PolarHBondContact O-N 3.3Å; F476-V479 PolarHBondContact O-N 3.38Å; F476-V479 VanDerWaalsContact O-N 3.14Å; F476-Q480 PolarHBondContact O-N 3.18Å |
| 477 | L | 91.6 | Very high | 89.1 | Confident | 96 Ų | 96 | 117.2 Ų | 117.2 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.3 | -42.9 | 175.9 | -67.7 | 170.4 | 0 | 0 | 0 | 111.8 | E473 E474 V479 Q480 Q481 | E473-L477 WeakPolarHBondContact O-CG 3.25Å; E473-L477 PolarHBondContact O-N 3.36Å; E474-L477 PolarHBondContact O-N 2.88Å; L477-V479 VanDerWaalsContact C-N 3.33Å; L477-V479 PolarHBondContact O-N 3.32Å; L477-Q480 PolarHBondContact O-N 3.46Å; L477-Q481 WeakPolarHBondContact O-CB 3.46Å; L477-Q481 PolarHBondContact O-N 3.05Å |
| 478 | A | 90.5 | Very high | 88.2 | Confident | 51 Ų | 51 | 120.6 Ų | 120.6 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.9 | -34.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | E474 F476 R482 | E474-A478 WeakPolarHBondContact O-CB 3.4Å; E474-A478 PolarHBondContact O-N 2.83Å; F476-A478 VanDerWaalsContact C-N 3.35Å; F476-A478 PolarHBondContact O-N 3.3Å; A478-R482 VanDerWaalsContact O-CB 3.27Å; A478-R482 WeakPolarHBondContact O-CB 3.45Å; A478-R482 PolarHBondContact O-N 3.43Å |
| 479 | V | 90.8 | Very high | 86.7 | Confident | 92 Ų | 92 | 114.3 Ų | 114.3 | 56% | 0.558 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.9 | -42.1 | 173.5 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | R475 F476 L477 R482 Y483 | R475-V479 WeakPolarHBondContact O-CG2 3.34Å; R475-V479 PolarHBondContact O-N 3.05Å; R475-V479 VanDerWaalsContact O-N 3.12Å; F476-V479 PolarHBondContact O-N 3.38Å; F476-V479 VanDerWaalsContact O-N 3.14Å; L477-V479 VanDerWaalsContact C-N 3.33Å; L477-V479 PolarHBondContact O-N 3.32Å; V479-R482 PolarHBondContact O-N 3.39Å; V479-Y483 PolarHBondContact O-N 3Å |
| 480 | Q | 90.1 | Very high | 84.7 | Confident | 109 Ų | 109 | 113.8 Ų | 113.8 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.8 | -45.9 | 176 | -171.8 | 179 | 10.9 | 0 | 0 | 111.5 | F476 L477 R482 Y483 Q484 | F476-Q480 PolarHBondContact O-N 3.18Å; L477-Q480 PolarHBondContact O-N 3.46Å; Q480-R482 PolarHBondContact O-N 3.02Å; Q480-Y483 PolarHBondContact O-N 3.27Å; Q480-Q484 PolarHBondContact O-N 2.95Å |
| 481 | Q | 91.2 | Very high | 82.3 | Confident | 116 Ų | 116 | 115.2 Ų | 115.2 | 54% | 0.542 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.3 | -42.5 | 175.7 | -169.3 | -176.1 | 30.7 | 0 | 0 | 111.5 | L477 Y483 Q484 Q485 | L477-Q481 WeakPolarHBondContact O-CB 3.46Å; L477-Q481 PolarHBondContact O-N 3.05Å; Q481-Y483 VanDerWaalsContact C-N 3.32Å; Q481-Y483 PolarHBondContact O-N 3.02Å; Q481-Q484 PolarHBondContact O-N 2.88Å; Q481-Q485 WeakPolarHBondContact O-CB 3.29Å; Q481-Q485 WeakPolarHBondContact O-CG 3.42Å; Q481-Q485 PolarHBondContact O-N 2.9Å |
| 482 | R | 90.3 | Very high | 79.8 | Confident | 189 Ų | 189 | 120 Ų | 120 | 71% | 0.713 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.6 | -35.3 | 175.6 | -172.3 | 178.4 | -178.5 | -163.4 | 0.3 | 112.5 | A478 V479 Q480 M486 | A478-R482 VanDerWaalsContact O-CB 3.27Å; A478-R482 WeakPolarHBondContact O-CB 3.45Å; A478-R482 PolarHBondContact O-N 3.43Å; V479-R482 PolarHBondContact O-N 3.39Å; Q480-R482 PolarHBondContact O-N 3.02Å; R482-M486 PolarHBondContact O-N 3.45Å |
| 483 | Y | 86.8 | Confident | 77.3 | Confident | 136 Ų | 136 | 123.8 Ų | 123.8 | 53% | 0.533 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.4 | -42.8 | 173.4 | 179.8 | -109.9 | 0 | 0 | 0 | 111.5 | V479 Q480 Q481 Q485 M486 L487 | V479-Y483 PolarHBondContact O-N 3Å; Q480-Y483 PolarHBondContact O-N 3.27Å; Q481-Y483 VanDerWaalsContact C-N 3.32Å; Q481-Y483 PolarHBondContact O-N 3.02Å; Y483-Q485 PolarHBondContact O-N 3.18Å; Y483-M486 HydrophobicContact CD2-CE 4.36Å; Y483-M486 WeakPolarHBondContact O-CB 3.43Å; Y483-M486 PolarHBondContact O-N 3.4Å; Y483-M486 VanDerWaalsContact O-N 3.12Å; Y483-L487 HydrophobicContact CD1-CD1 4.14Å; Y483-L487 HydrophobicContact CE1-CD1 3.64Å; Y483-L487 HydrophobicContact CE1-CG 4.34Å; Y483-L487 PolarHBondContact O-N 3.45Å |
| 484 | Q | 88 | Confident | 74.8 | Confident | 111 Ų | 111 | 124.2 Ų | 124.2 | 52% | 0.519 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.5 | -41.5 | 174.4 | -165.7 | 175.7 | 34.9 | 0 | 0 | 112.2 | Q480 Q481 M486 L487 Q488 | Q480-Q484 PolarHBondContact O-N 2.95Å; Q481-Q484 PolarHBondContact O-N 2.88Å; Q484-M486 VanDerWaalsContact C-N 3.31Å; Q484-M486 PolarHBondContact O-N 3.02Å; Q484-L487 PolarHBondContact O-N 3.09Å; Q484-Q488 WeakPolarHBondContact O-CG 3.46Å; Q484-Q488 PolarHBondContact O-N 3.44Å |
| 485 | Q | 86.1 | Confident | 72.3 | Confident | 112 Ų | 112 | 127.3 Ų | 127.3 | 52% | 0.523 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.6 | -32.2 | 172.1 | -74.5 | 175.6 | 0.3 | 0 | 0 | 112.9 | Q481 Y483 G489 | Q481-Q485 WeakPolarHBondContact O-CB 3.29Å; Q481-Q485 WeakPolarHBondContact O-CG 3.42Å; Q481-Q485 PolarHBondContact O-N 2.9Å; Y483-Q485 PolarHBondContact O-N 3.18Å; Q485-G489 VanDerWaalsContact O-CA 3.3Å; Q485-G489 WeakPolarHBondContact O-CA 3.41Å; Q485-G489 PolarHBondContact O-N 3Å |
| 486 | M | 77.8 | Confident | 69.6 | Low | 109 Ų | 109 | 127.1 Ų | 127.1 | 54% | 0.537 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.6 | -44.4 | 173.6 | -170.5 | -159 | -52.8 | 0 | 0 | 111.3 | R482 Y483 Q484 G489 N490 | R482-M486 PolarHBondContact O-N 3.45Å; Y483-M486 HydrophobicContact CD2-CE 4.36Å; Y483-M486 WeakPolarHBondContact O-CB 3.43Å; Y483-M486 PolarHBondContact O-N 3.4Å; Y483-M486 VanDerWaalsContact O-N 3.12Å; Q484-M486 VanDerWaalsContact C-N 3.31Å; Q484-M486 PolarHBondContact O-N 3.02Å; M486-G489 PolarHBondContact O-N 3.14Å; M486-N490 PolarHBondContact O-N 3.27Å; M486-N490 PolarHBondContact O-ND2 3.29Å |
| 487 | L | 78.8 | Confident | 67.2 | Low | 103 Ų | 103 | 124.5 Ų | 124.5 | 54% | 0.539 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.6 | -41.3 | 178.2 | -67.8 | 175.9 | 0 | 0 | 0 | 112 | Y483 Q484 | Y483-L487 HydrophobicContact CD1-CD1 4.14Å; Y483-L487 HydrophobicContact CE1-CD1 3.64Å; Y483-L487 HydrophobicContact CE1-CG 4.34Å; Y483-L487 PolarHBondContact O-N 3.45Å; Q484-L487 PolarHBondContact O-N 3.09Å |
| 488 | Q | 71.9 | Confident | 64.5 | Low | 130 Ų | 130 | 127 Ų | 127 | 61% | 0.607 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.3 | -36.9 | 175.9 | -67.4 | 173.3 | -3.7 | 0 | 0 | 112.4 | Q484 N490 H491 | Q484-Q488 WeakPolarHBondContact O-CG 3.46Å; Q484-Q488 PolarHBondContact O-N 3.44Å; Q488-N490 VanDerWaalsContact C-N 3.3Å; Q488-N490 PolarHBondContact O-N 3.46Å; Q488-H491 PolarHBondContact O-N 2.91Å; Q488-H491 VanDerWaalsContact O-N 3.16Å |
| 489 | G | 57.8 | Low | 61.8 | Low | 35 Ų | 35 | 130.9 Ų | 130.9 | 36% | 0.361 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66 | -26.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q485 M486 H491 L492 | Q485-G489 VanDerWaalsContact O-CA 3.3Å; Q485-G489 WeakPolarHBondContact O-CA 3.41Å; Q485-G489 PolarHBondContact O-N 3Å; M486-G489 PolarHBondContact O-N 3.14Å; G489-H491 PolarHBondContact O-N 3.41Å; G489-L492 PolarHBondContact O-N 3.42Å |
| 490 | N | 50.1 | Low | 59.2 | Low | 138 Ų | 138 | 131.8 Ų | 131.8 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -5.6 | 173.9 | -74.2 | -25.9 | 0 | 0 | 0 | 114.1 | M486 Q488 | M486-N490 PolarHBondContact O-N 3.27Å; M486-N490 PolarHBondContact O-ND2 3.29Å; Q488-N490 VanDerWaalsContact C-N 3.3Å; Q488-N490 PolarHBondContact O-N 3.46Å |
| 491 | H | 42.2 | Very low | 56.8 | Low | 175 Ų | 175 | 132.4 Ų | 132.4 | 81% | 0.81 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -8.7 | 172.1 | -125.2 | -65.5 | 0 | 0 | 0 | 114.5 | Q488 G489 Q493 | Q488-H491 PolarHBondContact O-N 2.91Å; Q488-H491 VanDerWaalsContact O-N 3.16Å; G489-H491 PolarHBondContact O-N 3.41Å; H491-Q493 PolarHBondContact O-N 3.05Å |
| 492 | L | 38.4 | Very low | 54.2 | Low | 157 Ų | 157 | 133.6 Ų | 133.6 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -91 | 96.7 | 172.4 | -96.7 | 165.1 | 0 | 0 | 0 | 109.5 | G489 V494 | G489-L492 PolarHBondContact O-N 3.42Å; L492-V494 PolarHBondContact O-N 3.31Å |
| 493 | Q | 39 | Very low | 51.8 | Low | 176 Ų | 176 | 129.2 Ų | 129.2 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -57.2 | 133.1 | -177.8 | -66.7 | 177.5 | 1.7 | 0 | 0 | 112.4 | H491 K495 | H491-Q493 PolarHBondContact O-N 3.05Å; Q493-K495 PolarHBondContact O-N 3Å | ||
| 494 | V | 39 | Very low | 49.6 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | trans | -12.8 | 101.3 | 145 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | L492 E496 | L492-V494 PolarHBondContact O-N 3.31Å; V494-E496 HydrophobicContact CG1-CB 4.11Å; V494-E496 HydrophobicContact CG1-CG 4.01Å | ||
| 495 | K | 37.6 | Very low | 47.2 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | trans | -109.9 | 49.9 | 167.6 | -157.2 | 172.4 | -176.2 | 177.2 | 0 | 111 | Q493 S497 | Q493-K495 PolarHBondContact O-N 3Å; K495-S497 PolarHBondContact O-N 3.17Å | ||
| 496 | E | 34.6 | Very low | 44.9 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | trans | -74.6 | 95 | 168.4 | -71.1 | -171.8 | 151.9 | 0 | 0 | 110.2 | V494 | V494-E496 HydrophobicContact CG1-CB 4.11Å; V494-E496 HydrophobicContact CG1-CG 4.01Å | ||
| 497 | S | 37.8 | Very low | 42.9 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | trans | -158.1 | 89.5 | 160.6 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | K495 | K495-S497 PolarHBondContact O-N 3.17Š| ||
| 498 | N | 36.8 | Very low | 41 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | 36.2 | 104 | 139.3 | -53.6 | -36.4 | 0 | 0 | 0 | 119.1 | S500 | N498-S500 PolarHBondContact O-N 2.95Å; N498-S500 VanDerWaalsContact O-N 3.16Å | ||
| 499 | T | 32.7 | Very low | 39.4 | Very low | 131 Ų | 131 | 135 Ų | 135 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 35.2 | 70.6 | 121.7 | -37.3 | 0 | 0 | 0 | 0 | 117.6 | V501 | T499-V501 HydrophobicContact CG2-CG2 4.28Å; T499-V501 PolarHBondContact O-N 2.7Å; T499-V501 VanDerWaalsContact O-N 3.15Å | |||
| 500 | S | 35.9 | Very low | 38.2 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -81.7 | 84.5 | 171.3 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | N498 T502 | N498-S500 PolarHBondContact O-N 2.95Å; N498-S500 VanDerWaalsContact O-N 3.16Å; S500-T502 PolarHBondContact O-N 3.05Å | ||
| 501 | V | 39 | Very low | 37.5 | Very low | 122 Ų | 122 | 136 Ų | 136 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | trans | -79.6 | 105.2 | 166 | 175.3 | 0 | 0 | 0 | 0 | 108.7 | T499 S503 | T499-V501 HydrophobicContact CG2-CG2 4.28Å; T499-V501 PolarHBondContact O-N 2.7Å; T499-V501 VanDerWaalsContact O-N 3.15Å; V501-S503 PolarHBondContact O-N 3.09Å; V501-S503 VanDerWaalsContact O-N 3.13Å | ||
| 502 | T | 37.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -79.4 | 91.3 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | S500 | S500-T502 PolarHBondContact O-N 3.05Š| ||
| 503 | S | 38.7 | Very low | 37 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -155.8 | 118.5 | 164.2 | -162.2 | 0 | 0 | 0 | 0 | 113.4 | V501 | V501-S503 PolarHBondContact O-N 3.09Å; V501-S503 VanDerWaalsContact O-N 3.13Å | ||
| 504 | V | 41.3 | Very low | 36.8 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | 54.9 | 93.8 | 154.2 | -171.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 505 | Q | 36.8 | Very low | 36.6 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | 58.4 | 156.3 | 134.4 | -81.7 | -168.9 | -35.8 | 0 | 0 | 123.7 | ||||
| 506 | P | 38.8 | Very low | 36.6 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -111.3 | 165.7 | -171.2 | 41.9 | -33.6 | 0 | 0 | 0 | 115.1 | ||||
| 507 | S | 36.6 | Very low | 36.9 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -164.9 | 113.6 | 138 | 28.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 508 | N | 37.2 | Very low | 36.6 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 53.9 | 149.8 | 137.2 | -57.2 | -15.9 | 0 | 0 | 0 | 124.1 | ||||
| 509 | V | 39.8 | Very low | 36.6 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 87.2 | 93.4 | 156.4 | -158.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 510 | S | 33 | Very low | 36.6 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 72.2 | 87.5 | 134.4 | -150.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 511 | A | 34 | Very low | 36.6 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | 45.9 | 90.9 | 119.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 512 | K | 35.1 | Very low | 36.4 | Very low | 208 Ų | 208 | 139 Ų | 139 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | -173.1 | 113.6 | 125.9 | -104.9 | 165.1 | -175.1 | 174.7 | 0 | 112 | |||||
| 513 | P | 34.5 | Very low | 36.2 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -135.5 | 138.5 | 139.8 | 35 | -22.5 | 0 | 0 | 0 | 112.2 | ||||
| 514 | L | 36.2 | Very low | 35.7 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -133.2 | 130.8 | 173.8 | -104.6 | 170 | 0 | 0 | 0 | 110.2 | ||||
| 515 | Q | 34.6 | Very low | 35.5 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | 63.9 | 116 | 166.3 | -53.6 | -176.9 | 8.7 | 0 | 0 | 118.8 | T517 | Q515-T517 HydrophobicContact CB-CG2 4.31Å; Q515-T517 VanDerWaalsContact OE1-CG2 3.25Å | ||
| 516 | P | 38.4 | Very low | 35.3 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | -74.9 | 122.2 | 122.3 | 8.1 | 11.2 | 0 | 0 | 0 | 108.7 | |||
| 517 | T | 39.3 | Very low | 35.3 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 134.8 | -176.1 | 33.1 | 0 | 0 | 0 | 0 | 113.1 | Q515 | Q515-T517 HydrophobicContact CB-CG2 4.31Å; Q515-T517 VanDerWaalsContact OE1-CG2 3.25Å |
| 518 | T | 33 | Very low | 35.3 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 133.4 | 166.7 | 46.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 519 | V | 36.1 | Very low | 35.2 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | -120.4 | 73 | 174.5 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | K521 | V519-K521 HydrophobicContact CG1-CG 4.19Å; V519-K521 PolarHBondContact O-N 3.48Å | ||
| 520 | L | 32.2 | Very low | 35.1 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -69.1 | 90.3 | 166.4 | -99.2 | 163.7 | 0 | 0 | 0 | 110.1 | K522 | L520-K522 PolarHBondContact O-N 3.14Š| ||
| 521 | K | 37.2 | Very low | 35.2 | Very low | 183 Ų | 183 | 140 Ų | 140 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -88.6 | 97.7 | 167.9 | -87.9 | -172.9 | 174.3 | -179 | 0 | 111.2 | V519 C523 | V519-K521 HydrophobicContact CG1-CG 4.19Å; V519-K521 PolarHBondContact O-N 3.48Å; K521-C523 PolarHBondContact O-N 3.35Å | ||
| 522 | K | 34.1 | Very low | 35.2 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -45.1 | 116.7 | 165.6 | -83.3 | 177.2 | 171 | 176.1 | 0 | 110.8 | L520 | L520-K522 PolarHBondContact O-N 3.14Š| ||
| 523 | C | 32.6 | Very low | 35.2 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -108.1 | 104.2 | 153.7 | -75.3 | 0 | 0 | 0 | 0 | 107.5 | K521 V525 | K521-C523 PolarHBondContact O-N 3.35Å; C523-V525 PolarHBondContact O-N 3.28Å | ||
| 524 | H | 30.1 | Very low | 35.1 | Very low | 173 Ų | 173 | 142 Ų | 142 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | -85.4 | 96.6 | -171.1 | -158 | 49.5 | 0 | 0 | 0 | 109.4 | ||||
| 525 | V | 36.9 | Very low | 35 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -105.9 | 108.5 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | C523 L527 | C523-V525 PolarHBondContact O-N 3.28Å; V525-L527 PolarHBondContact O-N 2.89Å | ||
| 526 | N | 31.5 | Very low | 34.8 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | trans | -78.6 | 117.2 | -171.5 | -170.3 | 9.5 | 0 | 0 | 0 | 111.3 | N528 | N526-N528 PolarHBondContact ND2-OD1 3.48Å; N526-N528 PolarHBondContact OD1-OD1 2.85Å | ||
| 527 | L | 38.5 | Very low | 34.7 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | -108.1 | 95.4 | 166.8 | -75.9 | 173 | 0 | 0 | 0 | 107.8 | V525 P529 | V525-L527 PolarHBondContact O-N 2.89Å; L527-P529 VanDerWaalsContact O-CD 3.25Å; L527-P529 WeakPolarHBondContact O-CD 3.45Å | ||
| 528 | N | 36.5 | Very low | 34.3 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | trans | -61.1 | 124.2 | 176 | -73.9 | -4.2 | 0 | 0 | 0 | 111.1 | N526 M530 | N526-N528 PolarHBondContact ND2-OD1 3.48Å; N526-N528 PolarHBondContact OD1-OD1 2.85Å; N528-M530 HydrophobicContact CB-CB 4.43Å | ||
| 529 | P | 35.2 | Very low | 34 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | trans | -98.8 | 88 | 155.4 | 31.9 | -16 | 0 | 0 | 0 | 107.5 | L527 | L527-P529 VanDerWaalsContact O-CD 3.25Å; L527-P529 WeakPolarHBondContact O-CD 3.45Å | ||
| 530 | M | 37.7 | Very low | 33.9 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 69% | 0.69 | 79% | 0.789 | S | S | * | * | trans | -107.5 | 125.8 | -171.3 | -155.8 | 74.1 | -171.4 | 0 | 0 | 112 | N528 | N528-M530 HydrophobicContact CB-CB 4.43Š| ||
| 531 | D | 35.1 | Very low | 33.8 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 60% | 0.599 | 78% | 0.782 | S | S | * | * | trans | 55.3 | 97 | 162.3 | -56.3 | -19.4 | 0 | 0 | 0 | 119.2 | N533 | D531-N533 PolarHBondContact O-N 2.9Š| ||
| 532 | H | 34.4 | Very low | 33.4 | Very low | 200 Ų | 200 | 147.9 Ų | 147.9 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | trans | -61.1 | 120.1 | 143.3 | -65.8 | -84.7 | 0 | 0 | 0 | 108.9 | ||||
| 533 | N | 36.2 | Very low | 33.6 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -133.5 | 115.3 | 165.4 | -113.6 | -45.3 | 0 | 0 | 0 | 112.9 | D531 L535 | D531-N533 PolarHBondContact O-N 2.9Å; N533-L535 PolarHBondContact O-N 3.23Å | ||
| 534 | T | 31.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -46.4 | 123 | 178.5 | -55.6 | 0 | 0 | 0 | 0 | 114 | K536 | T534-K536 HydrophobicContact CG2-CG 4.39Š| ||
| 535 | L | 35 | Very low | 33.6 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -135.3 | 117.2 | 155.1 | -108.2 | 169 | 0 | 0 | 0 | 110.3 | N533 | N533-L535 PolarHBondContact O-N 3.23Š| ||
| 536 | K | 30.1 | Very low | 33.4 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -85.6 | 130 | -179.6 | -61.7 | 174.2 | -179.9 | 175.4 | 0 | 110.1 | T534 | T534-K536 HydrophobicContact CG2-CG 4.39Š| ||
| 537 | V | 35.2 | Very low | 33.2 | Very low | 145 Ų | 145 | 150.7 Ų | 150.7 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -132.8 | 143.1 | 153.3 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 538 | Q | 31.3 | Very low | 33 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | -85.7 | 149.7 | -168.5 | -67.2 | 179.7 | -12.1 | 0 | 0 | 113.7 | ||||
| 539 | N | 28.2 | Very low | 32.5 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -69.7 | 131 | 156.9 | -70.4 | -31.3 | 0 | 0 | 0 | 110.7 | ||||
| 540 | K | 34 | Very low | 32.6 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | trans | -147.3 | 127 | 149.5 | -78 | -160.2 | 177.4 | -175.2 | 0 | 109.9 | ||||
| 541 | P | 29.9 | Very low | 32.4 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -107.9 | 168.1 | -178.9 | 41.9 | -35.9 | 0 | 0 | 0 | 113.5 | ||||
| 542 | V | 28.5 | Very low | 32.3 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | 64.2 | 121.9 | 164.5 | -169.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 543 | T | 36.9 | Very low | 31.7 | Very low | 136 Ų | 136 | 148.9 Ų | 148.9 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | -165.2 | 150.4 | 125.7 | -72.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 544 | I | 31.9 | Very low | 31.7 | Very low | 146 Ų | 146 | 148.6 Ų | 148.6 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | -116.4 | 169.3 | -172.8 | -49.5 | 169.8 | 0 | 0 | 0 | 108.8 | ||||
| 545 | I | 31.5 | Very low | 31.5 | Very low | 139 Ų | 139 | 150.9 Ų | 150.9 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | 110 | 129.4 | 151.9 | -57.4 | 173.5 | 0 | 0 | 0 | 117.8 | ||||
| 546 | K | 33.2 | Very low | 31.5 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 69.3 | 90.5 | 157.8 | -75.9 | 163.8 | -167.7 | 177.4 | 0 | 122.5 | ||||
| 547 | Q | 27.3 | Very low | 31.5 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | 10.3 | 129.6 | 109.1 | -176.2 | -174.5 | 26.2 | 0 | 0 | 119.4 | |||||
| 548 | T | 33.1 | Very low | 31.7 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -161.3 | 162.2 | 143 | -71.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 549 | Q | 27.8 | Very low | 31.8 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -114.3 | -159.3 | -165.8 | -143.6 | -161.6 | 50.4 | 0 | 0 | 113.3 | ||||
| 550 | P | 35.6 | Very low | 32.2 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 60% | 0.604 | 78% | 0.779 | S | S | * | * | -117.3 | -179.4 | -126.2 | 42.4 | -25.6 | 0 | 0 | 0 | 115.6 | |||||
| 551 | N | 34.9 | Very low | 32.1 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -168 | 133.8 | 149.3 | -107.8 | -37.2 | 0 | 0 | 0 | 117.4 | ||||
| 552 | T | 32.2 | Very low | 32.1 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 55 | 151 | 145.6 | 51.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 553 | C | 22.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -95.5 | 175 | -179.9 | -49.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 554 | P | 34.8 | Very low | 32 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | -144.5 | -179.3 | 117.2 | 38.3 | -23.6 | 0 | 0 | 0 | 116 | |||||
| 555 | K | 28.5 | Very low | 32.2 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 73% | 0.726 | 78% | 0.776 | S | S | * | * | trans | -152.3 | 142.4 | -173.7 | 169.6 | -171.3 | 170.8 | -173.7 | 0 | 114.4 | ||||
| 556 | P | 34.1 | Very low | 32.3 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -124.7 | 175.9 | 139.8 | 28.6 | -11.3 | 0 | 0 | 0 | 111.7 | ||||
| 557 | Q | 30.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | cis | 111 | 143.6 | -1.6 | -69.8 | -170.8 | -133.7 | 0 | 0 | 118.3 | ||||
| 558 | P | 39.4 | Very low | 32.6 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | -141.2 | -169.6 | -124.9 | 46.9 | -30 | 0 | 0 | 0 | 117.9 | |||||
| 559 | V | 34.3 | Very low | 32.6 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -151.3 | 166.2 | 163.2 | -90.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 560 | S | 35.4 | Very low | 32.6 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | cis | -151.2 | 156.6 | 2.2 | -121.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 561 | K | 33.3 | Very low | 32.4 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | 54.1 | 135.8 | 89.6 | -54.3 | -173.7 | -179.1 | -178.1 | 0 | 115.6 | |||||
| 562 | L | 29.8 | Very low | 32.2 | Very low | 140 Ų | 140 | 145 Ų | 145 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | cis | -155.9 | 171 | 18.8 | -157.6 | 73.7 | 0 | 0 | 0 | 113.3 | ||||
| 563 | N | 33.8 | Very low | 32.1 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 71.8 | 126.7 | 168.4 | -58 | -21.4 | 0 | 0 | 0 | 117.6 | ||||
| 564 | T | 29.2 | Very low | 32.5 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | cis | 95.1 | 106.9 | 5.8 | -47 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 565 | I | 35.3 | Very low | 32.3 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 175.4 | 92 | 142.1 | -88.8 | 152.5 | 0 | 0 | 0 | 106.6 | ||||
| 566 | Q | 33.8 | Very low | 32.5 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | 74.9 | 137 | 110.9 | -68.9 | -158.9 | 16.8 | 0 | 0 | 118.1 | |||||
| 567 | P | 34.8 | Very low | 32.4 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -120.2 | 171.1 | -168.8 | 43.8 | -33.1 | 0 | 0 | 0 | 115.6 | ||||
| 568 | T | 31.5 | Very low | 32.4 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -154 | 130.5 | 159.1 | -70.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 569 | K | 33.1 | Very low | 32 | Very low | 190 Ų | 190 | 149.9 Ų | 149.9 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 42.7 | 100.8 | 161.8 | -69.6 | 178.5 | 177.5 | 178.3 | 0 | 121.1 | ||||
| 570 | L | 28.7 | Very low | 31.7 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | 36.2 | 103.8 | 115.3 | -70.3 | 163.7 | 0 | 0 | 0 | 119.2 | |||||
| 571 | Q | 30.8 | Very low | 31.5 | Very low | 191 Ų | 191 | 155.9 Ų | 155.9 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | -144.9 | 168.6 | 124.4 | -116.1 | 178.6 | 52.9 | 0 | 0 | 110.1 | H573 | Q571-H573 PolarHBondContact O-N 3.48Š| |||
| 572 | T | 31.9 | Very low | 31.4 | Very low | 138 Ų | 138 | 152 Ų | 152 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 130.9 | -160.2 | -50 | 0 | 0 | 0 | 0 | 114.2 | E574 | T572-E574 PolarHBondContact O-N 3.45Š| ||
| 573 | H | 28.5 | Very low | 31.3 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | -68.9 | 107.5 | 168.6 | -88.8 | -83.8 | 0 | 0 | 0 | 110.9 | Q571 | Q571-H573 PolarHBondContact O-N 3.48Š| ||
| 574 | E | 30.3 | Very low | 31.3 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -104 | 136.8 | 149.3 | -162.5 | 165.5 | -132.9 | 0 | 0 | 108.9 | T572 V576 | T572-E574 PolarHBondContact O-N 3.45Å; E574-V576 PolarHBondContact O-N 2.97Å | ||
| 575 | K | 31.6 | Very low | 31.4 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 81% | 0.809 | 79% | 0.786 | S | S | * | * | trans | -80.2 | 85.5 | -169.9 | -172.6 | -179.5 | -179.9 | -179.1 | 0 | 109.8 | I577 | K575-I577 VanDerWaalsContact C-N 3.3Å; K575-I577 PolarHBondContact O-N 2.85Å | ||
| 576 | V | 31.8 | Very low | 31.1 | Very low | 128 Ų | 128 | 149 Ų | 149 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -60.6 | 92.8 | 172.6 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | E574 T578 | E574-V576 PolarHBondContact O-N 2.97Å; V576-T578 PolarHBondContact O-N 2.87Å | ||
| 577 | I | 32.8 | Very low | 31.3 | Very low | 126 Ų | 126 | 145 Ų | 145 | 65% | 0.646 | 78% | 0.778 | S | S | * | * | trans | -67.9 | 117.1 | 160.4 | -62.6 | 175.5 | 0 | 0 | 0 | 105.1 | K575 T579 | K575-I577 VanDerWaalsContact C-N 3.3Å; K575-I577 PolarHBondContact O-N 2.85Å; I577-T579 PolarHBondContact O-N 2.9Å | ||
| 578 | T | 29.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | -67.1 | 84.2 | 174 | -51.4 | 0 | 0 | 0 | 0 | 109 | V576 Q580 | V576-T578 PolarHBondContact O-N 2.87Å; T578-Q580 VanDerWaalsContact C-N 3.34Å; T578-Q580 PolarHBondContact O-N 3.15Å | ||
| 579 | T | 31.6 | Very low | 31.8 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -60.1 | 101.9 | 163.4 | 26.2 | 0 | 0 | 0 | 0 | 107.2 | I577 K581 | I577-T579 PolarHBondContact O-N 2.9Å; T579-K581 PolarHBondContact O-N 3.28Å | ||
| 580 | Q | 29 | Very low | 32.4 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -59.9 | 105.5 | 172.4 | -163.7 | 176.9 | 45.3 | 0 | 0 | 106.5 | T578 V582 | T578-Q580 VanDerWaalsContact C-N 3.34Å; T578-Q580 PolarHBondContact O-N 3.15Å; Q580-V582 PolarHBondContact O-N 3.06Å | ||
| 581 | K | 31 | Very low | 33.1 | Very low | 189 Ų | 189 | 139 Ų | 139 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -63.8 | 92.7 | 169.5 | -85.4 | -173.9 | 176.6 | -177.4 | 0 | 107 | T579 S583 | T579-K581 PolarHBondContact O-N 3.28Å; K581-S583 PolarHBondContact O-N 2.96Å | ||
| 582 | V | 29.7 | Very low | 34.1 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | trans | -66.3 | 92.1 | 163.4 | -175.2 | 0 | 0 | 0 | 0 | 105.7 | Q580 L584 | Q580-V582 PolarHBondContact O-N 3.06Å; V582-L584 HydrophobicContact CG1-CD2 3.77Å; V582-L584 HydrophobicContact CG1-CG 4.02Å; V582-L584 PolarHBondContact O-N 2.99Å | ||
| 583 | S | 28.2 | Very low | 34.9 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | trans | -68.4 | 83.9 | 177.6 | -69.3 | 0 | 0 | 0 | 0 | 109.2 | K581 I585 | K581-S583 PolarHBondContact O-N 2.96Å; S583-I585 PolarHBondContact O-N 3Å | ||
| 584 | L | 34.1 | Very low | 36.1 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | -72.1 | 52.8 | 169.9 | -62.3 | -180 | 0 | 0 | 0 | 110.8 | V582 | V582-L584 HydrophobicContact CG1-CD2 3.77Å; V582-L584 HydrophobicContact CG1-CG 4.02Å; V582-L584 PolarHBondContact O-N 2.99Å | ||
| 585 | I | 31.8 | Very low | 37.5 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 77% | 0.774 | 72% | 0.716 | S | S | * | * | trans | -101.3 | 65.5 | 178.2 | -49.3 | 177.5 | 0 | 0 | 0 | 108.4 | S583 | S583-I585 PolarHBondContact O-N 3Š| ||
| 586 | S | 29.7 | Very low | 39.2 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | -162.1 | 24 | 165.3 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 587 | S | 36.2 | Very low | 40.6 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -63.4 | 125.4 | 157.4 | -67.2 | 0 | 0 | 0 | 0 | 108.2 | V589 | S587-V589 PolarHBondContact O-N 3.46Š|
| 588 | P | 40.8 | Very low | 41.9 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | trans | -62.7 | 138.9 | 179 | 25.9 | -33.7 | 0 | 0 | 0 | 110 | V590 | P588-V590 VanDerWaalsContact C-N 3.32Å; P588-V590 PolarHBondContact O-N 3.17Å | ||
| 589 | V | 36.2 | Very low | 43.4 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | trans | -73.1 | 87.1 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | S587 N591 | S587-V589 PolarHBondContact O-N 3.46Å; V589-N591 VanDerWaalsContact CG1-OD1 3.26Å; V589-N591 WeakPolarHBondContact CG1-OD1 3.38Å; V589-N591 PolarHBondContact O-N 3.31Å; V589-N591 VanDerWaalsContact O-N 3.1Å | ||
| 590 | V | 46 | Very low | 44.3 | Very low | 103 Ų | 103 | 122 Ų | 122 | 62% | 0.624 | 67% | 0.674 | S | S | * | * | trans | -77.9 | 88.9 | 171.3 | -178.7 | 0 | 0 | 0 | 0 | 108 | P588 E592 | P588-V590 VanDerWaalsContact C-N 3.32Å; P588-V590 PolarHBondContact O-N 3.17Å; V590-E592 HydrophobicContact CG1-CB 4.01Å; V590-E592 HydrophobicContact CG1-CG 4.34Å; V590-E592 PolarHBondContact O-N 3.19Å; V590-E592 VanDerWaalsContact O-N 3.1Å | ||
| 591 | N | 43.5 | Very low | 45.1 | Very low | 152 Ų | 152 | 118.1 Ų | 118.1 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | trans | -75.1 | 19.8 | 176 | -82.7 | -21.5 | 0 | 0 | 0 | 113.5 | V589 | V589-N591 VanDerWaalsContact CG1-OD1 3.26Å; V589-N591 WeakPolarHBondContact CG1-OD1 3.38Å; V589-N591 PolarHBondContact O-N 3.31Å; V589-N591 VanDerWaalsContact O-N 3.1Å | ||
| 592 | E | 52.2 | Low | 46 | Very low | 164 Ų | 164 | 117.2 Ų | 117.2 | 77% | 0.766 | 67% | 0.669 | S | S | * | * | trans | -86.2 | 128.9 | 178.3 | -65.9 | -177 | 129 | 0 | 0 | 110.1 | V590 F594 | V590-E592 HydrophobicContact CG1-CB 4.01Å; V590-E592 HydrophobicContact CG1-CG 4.34Å; V590-E592 PolarHBondContact O-N 3.19Å; V590-E592 VanDerWaalsContact O-N 3.1Å; E592-F594 PolarHBondContact O-N 3.46Å; E592-F594 VanDerWaalsContact O-N 3.09Å | ||
| 593 | S | 48.5 | Very low | 46.6 | Very low | 117 Ų | 117 | 116.1 Ų | 116.1 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -65.9 | 107.6 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | D595 | S593-D595 PolarHBondContact O-N 3.03Å; S593-D595 VanDerWaalsContact O-N 3.09Å | ||
| 594 | F | 53.6 | Low | 47.6 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 55% | 0.548 | 69% | 0.686 | S | S | . | * | trans | -58.6 | 112.8 | 174.5 | 180 | -94.7 | 0 | 0 | 0 | 110.9 | E592 I596 L599 | E592-F594 PolarHBondContact O-N 3.46Å; E592-F594 VanDerWaalsContact O-N 3.09Å; F594-I596 HydrophobicContact CD1-CG1 4.04Å; F594-I596 HydrophobicContact CE1-CG1 4.06Å; F594-I596 PolarHBondContact O-N 2.89Å; F594-L599 HydrophobicContact CE1-CD1 3.77Å; F594-L599 HydrophobicContact CE1-CG 4.2Å; F594-L599 HydrophobicContact CZ-CD1 3.85Å; F594-L599 HydrophobicContact CZ-CD2 4.12Å; F594-L599 HydrophobicContact CZ-CG 3.93Å | ||
| 595 | D | 60 | Low | 48.3 | Very low | 86 Ų | 86 | 119.9 Ų | 119.9 | 46% | 0.46 | 68% | 0.681 | S | S | . | * | trans | -86.2 | 110.5 | 178.7 | -173.3 | 8.3 | 0 | 0 | 0 | 111.4 | S593 S597 Q598 | S593-D595 PolarHBondContact O-N 3.03Å; S593-D595 VanDerWaalsContact O-N 3.09Å; D595-S597 PolarHBondContact O-N 3.14Å; D595-S597 VanDerWaalsContact O-N 3.14Å; D595-S597 VanDerWaalsContact OD1-CB 3.29Å; D595-S597 WeakPolarHBondContact OD1-CB 3.5Å; D595-S597 PolarHBondContact OD1-N 3.26Å; D595-S597 PolarHBondContact OD1-OG 3.25Å; D595-S597 WeakPolarHBondContact OD2-CB 3.44Å; D595-S597 PolarHBondContact OD2-OG 3.15Å; D595-Q598 PolarHBondContact O-N 3.21Å | ||
| 596 | I | 66.6 | Low | 49.1 | Very low | 96 Ų | 96 | 120.1 Ų | 120.1 | 49% | 0.492 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -63.2 | -16.5 | 177 | -61.2 | 170 | 0 | 0 | 0 | 111.4 | F594 Q598 L599 N600 | F594-I596 HydrophobicContact CD1-CG1 4.04Å; F594-I596 HydrophobicContact CE1-CG1 4.06Å; F594-I596 PolarHBondContact O-N 2.89Å; I596-Q598 PolarHBondContact O-N 2.88Å; I596-L599 PolarHBondContact O-N 3.12Å; I596-L599 VanDerWaalsContact O-N 3.13Å; I596-N600 PolarHBondContact O-ND2 3.13Å; I596-N600 VanDerWaalsContact O-ND2 3.12Å |
| 597 | S | 62.1 | Low | 50.3 | Low | 67 Ų | 67 | 122.8 Ų | 122.8 | 47% | 0.469 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -55.5 | -37.5 | 174.4 | 83.5 | 0 | 0 | 0 | 0 | 112.3 | D595 L599 N600 | D595-S597 PolarHBondContact O-N 3.14Å; D595-S597 VanDerWaalsContact O-N 3.14Å; D595-S597 VanDerWaalsContact OD1-CB 3.29Å; D595-S597 WeakPolarHBondContact OD1-CB 3.5Å; D595-S597 PolarHBondContact OD1-N 3.26Å; D595-S597 PolarHBondContact OD1-OG 3.25Å; D595-S597 WeakPolarHBondContact OD2-CB 3.44Å; D595-S597 PolarHBondContact OD2-OG 3.15Å; S597-L599 PolarHBondContact O-N 2.89Å; S597-N600 PolarHBondContact O-N 3.23Å; S597-N600 PolarHBondContact O-ND2 3.36Å |
| 598 | Q | 60.2 | Low | 51 | Low | 120 Ų | 120 | 124.8 Ų | 124.8 | 56% | 0.561 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -65.1 | -23.1 | -179 | -62 | -174.3 | -11.5 | 0 | 0 | 113.2 | D595 I596 N600 | D595-Q598 PolarHBondContact O-N 3.21Å; I596-Q598 PolarHBondContact O-N 2.88Å; Q598-N600 PolarHBondContact O-N 2.58Å |
| 599 | L | 60.4 | Low | 51.5 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -77.3 | 2.3 | 178.5 | -64.6 | -179.7 | 0 | 0 | 0 | 114.1 | F594 I596 S597 | F594-L599 HydrophobicContact CE1-CD1 3.77Å; F594-L599 HydrophobicContact CE1-CG 4.2Å; F594-L599 HydrophobicContact CZ-CD1 3.85Å; F594-L599 HydrophobicContact CZ-CD2 4.12Å; F594-L599 HydrophobicContact CZ-CG 3.93Å; I596-L599 PolarHBondContact O-N 3.12Å; I596-L599 VanDerWaalsContact O-N 3.13Å; S597-L599 PolarHBondContact O-N 2.89Å |
| 600 | N | 51.5 | Low | 52.3 | Low | 126 Ų | 126 | 128.5 Ų | 128.5 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -100.7 | 1.3 | 179 | -54.6 | -83 | 0 | 0 | 0 | 113.4 | I596 S597 Q598 D602 | I596-N600 PolarHBondContact O-ND2 3.13Å; I596-N600 VanDerWaalsContact O-ND2 3.12Å; S597-N600 PolarHBondContact O-N 3.23Å; S597-N600 PolarHBondContact O-ND2 3.36Å; Q598-N600 PolarHBondContact O-N 2.58Å; N600-D602 PolarHBondContact O-N 3.02Å; N600-D602 VanDerWaalsContact O-N 3.15Å |
| 601 | S | 45 | Very low | 52.6 | Low | 86 Ų | 86 | 130.5 Ų | 130.5 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | trans | -81.1 | 88.5 | -180 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | S603 | S601-S603 PolarHBondContact O-N 2.67Š| ||
| 602 | D | 49.9 | Very low | 53.3 | Low | 169 Ų | 169 | 130.6 Ų | 130.6 | 90% | 0.904 | 71% | 0.708 | S | S | * | * | trans | -75.7 | 59.4 | 172.5 | -156.9 | 24.3 | 0 | 0 | 0 | 110.3 | N600 | N600-D602 PolarHBondContact O-N 3.02Å; N600-D602 VanDerWaalsContact O-N 3.15Å | ||
| 603 | S | 42.9 | Very low | 53.7 | Low | 79 Ų | 79 | 131.9 Ų | 131.9 | 55% | 0.552 | 71% | 0.711 | S | S | * | * | trans | -121.5 | 118.1 | -162.5 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | S601 S605 | S601-S603 PolarHBondContact O-N 2.67Å; S603-S605 PolarHBondContact O-N 3.24Å | ||
| 604 | E | 49 | Very low | 54.2 | Low | 217 Ų | 217 | 129.6 Ų | 129.6 | 100% | 1.014 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -74.7 | 48.3 | 173.3 | -60.9 | 179.1 | 78.7 | 0 | 0 | 112.3 | ||
| 605 | S | 47.8 | Very low | 54.7 | Low | 93 Ų | 93 | 126.9 Ų | 126.9 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | trans | -140 | 32.6 | -165.8 | -171.8 | 0 | 0 | 0 | 0 | 113.5 | S603 | S603-S605 PolarHBondContact O-N 3.24Š| ||
| 606 | D | 49.9 | Very low | 54.9 | Low | 156 Ų | 156 | 125 Ų | 125 | 83% | 0.834 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 13.4 | -169 | -153.5 | 32.4 | 0 | 0 | 0 | 114.1 | ||
| 607 | D | 54.4 | Low | 54.8 | Low | 165 Ų | 165 | 129 Ų | 129 | 88% | 0.882 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -15.1 | -177.3 | -88.3 | -53.9 | 0 | 0 | 0 | 114.5 | ||
| 608 | D | 51.3 | Low | 54.9 | Low | 145 Ų | 145 | 128.3 Ų | 128.3 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -112.7 | -3 | -164 | -88 | -49.2 | 0 | 0 | 0 | 116.9 | P610 | D608-P610 WeakPolarHBondContact O-CD 3.49Š|
| 609 | E | 50.8 | Low | 55.3 | Low | 175 Ų | 175 | 129 Ų | 129 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -106.2 | 100.6 | 176.6 | -73.9 | -142.7 | 155.4 | 0 | 0 | 113.8 | N611 | E609-N611 PolarHBondContact O-N 2.92Š| ||
| 610 | P | 52.4 | Low | 55.8 | Low | 134 Ų | 134 | 133.5 Ų | 133.5 | 87% | 0.87 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 12.8 | -168.9 | 32.7 | -38.5 | 0 | 0 | 0 | 115.7 | D608 | D608-P610 WeakPolarHBondContact O-CD 3.49Š|
| 611 | N | 53.8 | Low | 56.7 | Low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -8.9 | -164.2 | -122.1 | -9.7 | 0 | 0 | 0 | 115.8 | E609 K613 | E609-N611 PolarHBondContact O-N 2.92Å; N611-K613 PolarHBondContact O-N 3.21Å; N611-K613 VanDerWaalsContact O-N 3.1Å |
| 612 | M | 57 | Low | 58 | Low | 154 Ų | 154 | 127.3 Ų | 127.3 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | trans | -68.7 | 108.2 | 171.6 | -83.2 | -135.8 | 170.9 | 0 | 0 | 111.1 | V614 | M612-V614 VanDerWaalsContact C-N 3.27Å; M612-V614 PolarHBondContact O-N 2.82Å | ||
| 613 | K | 61.5 | Low | 59.2 | Low | 191 Ų | 191 | 123.8 Ų | 123.8 | 83% | 0.83 | 66% | 0.663 | S | S | * | * | trans | -71.6 | 79.5 | 173.6 | -76.7 | 179.5 | -179.8 | 166.8 | 0 | 111.3 | N611 P615 | N611-K613 PolarHBondContact O-N 3.21Å; N611-K613 VanDerWaalsContact O-N 3.1Å; K613-P615 WeakPolarHBondContact O-CD 3.38Å; K613-P615 VanDerWaalsContact O-N 3.17Å | ||
| 614 | V | 58.2 | Low | 60.8 | Low | 69 Ų | 69 | 126.4 Ų | 126.4 | 42% | 0.418 | 67% | 0.667 | S | S | . | * | trans | -45.9 | 120.5 | 169.1 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | M612 C618 R619 | M612-V614 VanDerWaalsContact C-N 3.27Å; M612-V614 PolarHBondContact O-N 2.82Å; V614-C618 VanDerWaalsContact CG1-SG 3.54Å; V614-R619 HydrophobicContact CG1-CG 4.21Å; V614-R619 PolarHBondContact O-NE 3.15Å; V614-R619 PolarHBondContact O-NH2 3.09Å | ||
| 615 | P | 64 | Low | 61.9 | Low | 67 Ų | 67 | 119.6 Ų | 119.6 | 44% | 0.435 | 64% | 0.636 | S | S | . | * | trans | -53.6 | 146.3 | -179.2 | -30.2 | 35.9 | 0 | 0 | 0 | 113.3 | K613 W617 C618 | K613-P615 WeakPolarHBondContact O-CD 3.38Å; K613-P615 VanDerWaalsContact O-N 3.17Å; P615-W617 HydrophobicContact CB-CG 4.44Å; P615-W617 PolarHBondContact O-N 3.06Å; P615-W617 VanDerWaalsContact O-N 3.14Å; P615-C618 PolarHBondContact O-N 3.03Å; P615-C618 PolarHBondContact O-SG 3.27Å | ||
| 616 | G | 63.4 | Low | 63.2 | Low | 46 Ų | 46 | 120.1 Ų | 120.1 | 47% | 0.474 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -56.2 | -34.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | C618 R619 N622 | G616-C618 PolarHBondContact O-N 3.2Å; G616-R619 PolarHBondContact O-N 3.03Å; G616-N622 PolarHBondContact O-ND2 2.87Å |
| 617 | W | 65.8 | Low | 64.4 | Low | 182 Ų | 182 | 115 Ų | 115 | 69% | 0.689 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -67 | -30.5 | -177.9 | 66.9 | -99.2 | 0 | 0 | 0 | 114 | P615 N622 | P615-W617 HydrophobicContact CB-CG 4.44Å; P615-W617 PolarHBondContact O-N 3.06Å; P615-W617 VanDerWaalsContact O-N 3.14Å; W617-N622 WeakPolarHBondContact CA-ND2 3.29Å |
| 618 | C | 64.3 | Low | 65.3 | Low | 51 Ų | 51 | 109.2 Ų | 109.2 | 35% | 0.345 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -99.6 | 8.5 | -179.9 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | V614 P615 G616 | V614-C618 VanDerWaalsContact CG1-SG 3.54Å; P615-C618 PolarHBondContact O-N 3.03Å; P615-C618 PolarHBondContact O-SG 3.27Å; G616-C618 PolarHBondContact O-N 3.2Å |
| 619 | R | 67.6 | Low | 66.3 | Low | 135 Ų | 135 | 107 Ų | 107 | 51% | 0.509 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -71.7 | 133.6 | 175.5 | -69.1 | -175.8 | 179.7 | -133.5 | -9.8 | 111.4 | V614 G616 G621 N622 | V614-R619 HydrophobicContact CG1-CG 4.21Å; V614-R619 PolarHBondContact O-NE 3.15Å; V614-R619 PolarHBondContact O-NH2 3.09Å; G616-R619 PolarHBondContact O-N 3.03Å; R619-G621 PolarHBondContact O-N 2.87Å; R619-N622 PolarHBondContact O-N 3.18Å |
| 620 | K | 71 | Confident | 67.6 | Low | 219 Ų | 219 | 101.7 Ų | 101.7 | 95% | 0.952 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 111.8 | 176.2 | -176 | 176.8 | -177.6 | 175.5 | 0 | 110.4 | ||
| 621 | G | 70.7 | Confident | 68.9 | Low | 59 Ų | 59 | 97.8 Ų | 97.8 | 61% | 0.608 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.2 | 7.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R619 P623 | R619-G621 PolarHBondContact O-N 2.87Å; G621-P623 WeakPolarHBondContact O-CD 3.2Å |
| 622 | N | 72.6 | Confident | 70 | Confident | 22 Ų | 22 | 92.8 Ų | 92.8 | 12% | 0.118 | 50% | 0.499 | C | S | . | . | trans | -61.2 | 121.7 | 169.3 | -176.6 | -29.2 | 0 | 0 | 0 | 110.1 | G616 W617 R619 E624 M625 | G616-N622 PolarHBondContact O-ND2 2.87Å; W617-N622 WeakPolarHBondContact CA-ND2 3.29Å; R619-N622 PolarHBondContact O-N 3.18Å; N622-E624 VanDerWaalsContact C-N 3.34Å; N622-E624 PolarHBondContact ND2-OE2 2.96Å; N622-E624 PolarHBondContact O-N 3.39Å; N622-E624 WeakPolarHBondContact OD1-CA 3.34Å; N622-E624 WeakPolarHBondContact OD1-CB 3.13Å; N622-E624 VanDerWaalsContact OD1-CG 3.32Å; N622-E624 WeakPolarHBondContact OD1-CG 3.41Å; N622-E624 PolarHBondContact OD1-N 2.93Å; N622-E624 PolarHBondContact OD1-OE2 3.09Å; N622-M625 PolarHBondContact O-N 2.84Å | ||
| 623 | P | 75.6 | Confident | 70.9 | Confident | 96 Ų | 96 | 94.8 Ų | 94.8 | 62% | 0.623 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70 | -25.2 | -179.5 | 29.9 | -36.3 | 0 | 0 | 0 | 114 | G621 I626 A627 | G621-P623 WeakPolarHBondContact O-CD 3.2Å; P623-I626 PolarHBondContact O-N 3.46Å; P623-A627 WeakPolarHBondContact O-CB 3.35Å; P623-A627 PolarHBondContact O-N 3.01Å |
| 624 | E | 75.1 | Confident | 71.8 | Confident | 133 Ų | 133 | 88.6 Ų | 88.6 | 62% | 0.621 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 176.8 | -55 | 168.4 | 137.8 | 0 | 0 | 110.5 | N622 I626 A627 A628 | N622-E624 VanDerWaalsContact C-N 3.34Å; N622-E624 PolarHBondContact ND2-OE2 2.96Å; N622-E624 PolarHBondContact O-N 3.39Å; N622-E624 WeakPolarHBondContact OD1-CA 3.34Å; N622-E624 WeakPolarHBondContact OD1-CB 3.13Å; N622-E624 VanDerWaalsContact OD1-CG 3.32Å; N622-E624 WeakPolarHBondContact OD1-CG 3.41Å; N622-E624 PolarHBondContact OD1-N 2.93Å; N622-E624 PolarHBondContact OD1-OE2 3.09Å; E624-I626 VanDerWaalsContact C-N 3.3Å; E624-I626 PolarHBondContact O-N 2.86Å; E624-A627 PolarHBondContact O-N 2.66Å; E624-A628 WeakPolarHBondContact O-CB 3.27Å; E624-A628 PolarHBondContact O-N 3.26Å |
| 625 | M | 73.1 | Confident | 72.4 | Confident | 74 Ų | 74 | 90.4 Ų | 90.4 | 37% | 0.365 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 175.4 | -169 | -175.9 | 73.7 | 0 | 0 | 111.5 | N622 M629 | N622-M625 PolarHBondContact O-N 2.84Å; M625-M629 HydrophobicContact CE-CE 4.48Å; M625-M629 HydrophobicContact CG-CE 4.41Å; M625-M629 WeakPolarHBondContact O-CB 3.48Å; M625-M629 VanDerWaalsContact O-CG 3.29Å; M625-M629 WeakPolarHBondContact O-CG 3.47Å; M625-M629 PolarHBondContact O-N 3.46Å; M625-M629 HydrophobicContact SD-CE 4.45Å |
| 626 | I | 74.8 | Confident | 72.9 | Confident | 105 Ų | 105 | 94 Ų | 94 | 54% | 0.538 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 175.6 | -61.7 | 171.9 | 0 | 0 | 0 | 110.6 | P623 E624 S630 | P623-I626 PolarHBondContact O-N 3.46Å; E624-I626 VanDerWaalsContact C-N 3.3Å; E624-I626 PolarHBondContact O-N 2.86Å; I626-S630 VanDerWaalsContact O-CB 3.29Å; I626-S630 WeakPolarHBondContact O-CB 3.2Å; I626-S630 PolarHBondContact O-N 3.22Å |
| 627 | A | 75.8 | Confident | 73.1 | Confident | 49 Ų | 49 | 93.9 Ų | 93.9 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -49.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P623 E624 M629 S630 D631 | P623-A627 WeakPolarHBondContact O-CB 3.35Å; P623-A627 PolarHBondContact O-N 3.01Å; E624-A627 PolarHBondContact O-N 2.66Å; A627-M629 PolarHBondContact O-N 3.17Å; A627-S630 CarbonylContact O-C 3.56Å; A627-S630 WeakPolarHBondContact O-CA 3.4Å; A627-S630 WeakPolarHBondContact O-CB 3.11Å; A627-S630 PolarHBondContact O-N 2.87Å; A627-D631 PolarHBondContact O-N 3.04Å |
| 628 | A | 72.2 | Confident | 73.3 | Confident | 43 Ų | 43 | 90.3 Ų | 90.3 | 36% | 0.355 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E624 S630 D631 V632 | E624-A628 WeakPolarHBondContact O-CB 3.27Å; E624-A628 PolarHBondContact O-N 3.26Å; A628-S630 VanDerWaalsContact C-N 3.33Å; A628-S630 PolarHBondContact O-N 2.89Å; A628-D631 PolarHBondContact O-N 3.07Å; A628-V632 VanDerWaalsContact O-CG2 3.31Å; A628-V632 WeakPolarHBondContact O-CG2 3.39Å; A628-V632 PolarHBondContact O-N 3.33Å |
| 629 | M | 73.8 | Confident | 73.3 | Confident | 99 Ų | 99 | 95.7 Ų | 95.7 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 171.7 | -77.8 | -174.7 | 173.2 | 0 | 0 | 112.1 | M625 A627 D631 V632 Y633 | M625-M629 HydrophobicContact CE-CE 4.48Å; M625-M629 HydrophobicContact CG-CE 4.41Å; M625-M629 WeakPolarHBondContact O-CB 3.48Å; M625-M629 VanDerWaalsContact O-CG 3.29Å; M625-M629 WeakPolarHBondContact O-CG 3.47Å; M625-M629 PolarHBondContact O-N 3.46Å; M625-M629 HydrophobicContact SD-CE 4.45Å; A627-M629 PolarHBondContact O-N 3.17Å; M629-D631 PolarHBondContact O-N 3.43Å; M629-V632 PolarHBondContact O-N 3.47Å; M629-Y633 WeakPolarHBondContact O-CD2 3.39Å; M629-Y633 PolarHBondContact O-N 2.92Å |
| 630 | S | 77.2 | Confident | 73.3 | Confident | 63 Ų | 63 | 97.5 Ų | 97.5 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 178.3 | -168.6 | 0 | 0 | 0 | 0 | 112.3 | I626 A627 A628 Y633 S634 | I626-S630 VanDerWaalsContact O-CB 3.29Å; I626-S630 WeakPolarHBondContact O-CB 3.2Å; I626-S630 PolarHBondContact O-N 3.22Å; A627-S630 CarbonylContact O-C 3.56Å; A627-S630 WeakPolarHBondContact O-CA 3.4Å; A627-S630 WeakPolarHBondContact O-CB 3.11Å; A627-S630 PolarHBondContact O-N 2.87Å; A628-S630 VanDerWaalsContact C-N 3.33Å; A628-S630 PolarHBondContact O-N 2.89Å; S630-Y633 PolarHBondContact O-N 3.48Å; S630-S634 VanDerWaalsContact O-CB 3.26Å; S630-S634 WeakPolarHBondContact O-CB 3.35Å; S630-S634 PolarHBondContact O-N 3.41Å; S630-S634 PolarHBondContact O-OG 3.18Å |
| 631 | D | 79.1 | Confident | 73.2 | Confident | 52 Ų | 52 | 93 Ų | 93 | 28% | 0.278 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.6 | -28.8 | 178.3 | -71.6 | -29.3 | 0 | 0 | 0 | 112.9 | A627 A628 M629 N635 K636 L637 | A627-D631 PolarHBondContact O-N 3.04Å; A628-D631 PolarHBondContact O-N 3.07Å; M629-D631 PolarHBondContact O-N 3.43Å; D631-N635 PolarHBondContact O-N 3.16Å; D631-K636 HydrophobicContact CB-CB 4.32Å; D631-K636 HydrophobicContact CB-CD 4.2Å; D631-K636 PolarHBondContact O-N 3.08Å; D631-K636 WeakPolarHBondContact OD1-CD 3.48Å; D631-K636 WeakPolarHBondContact OD1-CE 3.49Å; D631-K636 IonicContact OD1-NZ 2.69Å; D631-K636 PolarHBondContact OD1-NZ 3.44Å; D631-L637 HydrophobicContact CB-CB 4.09Å; D631-L637 PolarHBondContact O-N 2.9Å |
| 632 | V | 76.9 | Confident | 73.2 | Confident | 39 Ų | 39 | 96 Ų | 96 | 24% | 0.236 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -62 | -54 | 165.1 | 166.1 | 0 | 0 | 0 | 0 | 110.8 | A628 M629 S634 N635 L637 W639 | A628-V632 VanDerWaalsContact O-CG2 3.31Å; A628-V632 WeakPolarHBondContact O-CG2 3.39Å; A628-V632 PolarHBondContact O-N 3.33Å; M629-V632 PolarHBondContact O-N 3.47Å; V632-S634 PolarHBondContact O-N 3.07Å; V632-N635 PolarHBondContact O-N 2.89Å; V632-L637 HydrophobicContact CG2-CB 3.95Å; V632-L637 HydrophobicContact CG2-CD2 4.04Å; V632-L637 HydrophobicContact CG2-CG 4.46Å; V632-W639 VanDerWaalsContact CG1-NE1 3.29Å; V632-W639 HydrophobicContact CG2-CZ2 4.48Å; V632-W639 VanDerWaalsContact CG2-NE1 3.35Å |
| 633 | Y | 76.6 | Confident | 73.1 | Confident | 196 Ų | 196 | 101.2 Ų | 101.2 | 77% | 0.769 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -28.1 | 178 | -78.3 | -64.8 | 0 | 0 | 0 | 112.6 | M629 S630 N635 | M629-Y633 WeakPolarHBondContact O-CD2 3.39Å; M629-Y633 PolarHBondContact O-N 2.92Å; S630-Y633 PolarHBondContact O-N 3.48Å; Y633-N635 PolarHBondContact O-N 3.03Å |
| 634 | S | 80 | Confident | 73 | Confident | 61 Ų | 61 | 102.1 Ų | 102.1 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 4.8 | 173.8 | -56.3 | 0 | 0 | 0 | 0 | 113.9 | S630 V632 K636 | S630-S634 VanDerWaalsContact O-CB 3.26Å; S630-S634 WeakPolarHBondContact O-CB 3.35Å; S630-S634 PolarHBondContact O-N 3.41Å; S630-S634 PolarHBondContact O-OG 3.18Å; V632-S634 PolarHBondContact O-N 3.07Å; S634-K636 PolarHBondContact O-N 3.19Å |
| 635 | N | 71.4 | Confident | 72.9 | Confident | 107 Ų | 107 | 99.1 Ų | 99.1 | 57% | 0.572 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 8.6 | -174.9 | -101.7 | -47 | 0 | 0 | 0 | 115.6 | D631 V632 Y633 | D631-N635 PolarHBondContact O-N 3.16Å; V632-N635 PolarHBondContact O-N 2.89Å; Y633-N635 PolarHBondContact O-N 3.03Å |
| 636 | K | 74.7 | Confident | 72.8 | Confident | 144 Ų | 144 | 99.8 Ų | 99.8 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -72.3 | -41.6 | 174.3 | -59.2 | 168.1 | -172.8 | 170.9 | 0 | 110.4 | D631 S634 | D631-K636 HydrophobicContact CB-CB 4.32Å; D631-K636 HydrophobicContact CB-CD 4.2Å; D631-K636 PolarHBondContact O-N 3.08Å; D631-K636 WeakPolarHBondContact OD1-CD 3.48Å; D631-K636 WeakPolarHBondContact OD1-CE 3.49Å; D631-K636 IonicContact OD1-NZ 2.69Å; D631-K636 PolarHBondContact OD1-NZ 3.44Å; S634-K636 PolarHBondContact O-N 3.19Å |
| 637 | L | 66.7 | Low | 72.9 | Confident | 43 Ų | 43 | 100 Ų | 100 | 23% | 0.225 | 53% | 0.527 | C | S | . | . | trans | -102.1 | 89.9 | -178.2 | -146.3 | 73.5 | 0 | 0 | 0 | 110 | D631 V632 E642 | D631-L637 HydrophobicContact CB-CB 4.09Å; D631-L637 PolarHBondContact O-N 2.9Å; V632-L637 HydrophobicContact CG2-CB 3.95Å; V632-L637 HydrophobicContact CG2-CD2 4.04Å; V632-L637 HydrophobicContact CG2-CG 4.46Å; L637-E642 HydrophobicContact CD1-CG 4.14Å; L637-E642 WeakPolarHBondContact CD2-OE2 3.3Å; L637-E642 HydrophobicContact CG-CG 4.25Å | ||
| 638 | K | 70 | Confident | 72.9 | Confident | 106 Ų | 106 | 103.6 Ų | 103.6 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | trans | -82.7 | 121.3 | 168.5 | -64.7 | -175.5 | -179.7 | -178.9 | 0 | 107.9 | Q640 N641 | K638-Q640 PolarHBondContact O-N 2.95Å; K638-Q640 VanDerWaalsContact O-N 3.08Å; K638-N641 VanDerWaalsContact O-CB 3.31Å; K638-N641 WeakPolarHBondContact O-CB 3.46Å; K638-N641 PolarHBondContact O-N 3.21Å | ||
| 639 | W | 65 | Low | 73 | Confident | 165 Ų | 165 | 106.2 Ų | 106.2 | 63% | 0.625 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -55.2 | -32.4 | -177.4 | -63.7 | 57.7 | 0 | 0 | 0 | 111.9 | V632 N641 E642 F643 | V632-W639 VanDerWaalsContact CG1-NE1 3.29Å; V632-W639 HydrophobicContact CG2-CZ2 4.48Å; V632-W639 VanDerWaalsContact CG2-NE1 3.35Å; W639-N641 PolarHBondContact O-N 3.15Å; W639-E642 PolarHBondContact O-N 3.14Å; W639-F643 HydrophobicContact CB-CD2 4.45Å; W639-F643 AromaticContact CE3-CE2 3.91Å; W639-F643 HydrophobicContact CE3-CE2 3.91Å; W639-F643 WeakPolarHBondContact O-CD2 3.49Å; W639-F643 PolarHBondContact O-N 3.29Å; W639-F643 VanDerWaalsContact O-N 3.14Å |
| 640 | Q | 66.7 | Low | 73 | Confident | 173 Ų | 173 | 107.9 Ų | 107.9 | 81% | 0.808 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.6 | -15.3 | 174.3 | -64.9 | 172.3 | -15.4 | 0 | 0 | 114.6 | K638 | K638-Q640 PolarHBondContact O-N 2.95Å; K638-Q640 VanDerWaalsContact O-N 3.08Å |
| 641 | N | 69.8 | Low | 72.9 | Confident | 125 Ų | 125 | 111.9 Ų | 111.9 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -96.8 | -25.4 | 178.9 | -61.7 | 3.1 | 0 | 0 | 0 | 112.7 | K638 W639 | K638-N641 VanDerWaalsContact O-CB 3.31Å; K638-N641 WeakPolarHBondContact O-CB 3.46Å; K638-N641 PolarHBondContact O-N 3.21Å; W639-N641 PolarHBondContact O-N 3.15Å |
| 642 | E | 70 | Confident | 72.6 | Confident | 120 Ų | 120 | 113.6 Ų | 113.6 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -90.6 | -41.1 | 179.3 | -67.5 | -159.5 | 124.7 | 0 | 0 | 112.5 | L637 W639 | L637-E642 HydrophobicContact CD1-CG 4.14Å; L637-E642 WeakPolarHBondContact CD2-OE2 3.3Å; L637-E642 HydrophobicContact CG-CG 4.25Å; W639-E642 PolarHBondContact O-N 3.14Å |
| 643 | F | 70.3 | Confident | 72.4 | Confident | 132 Ų | 132 | 115.6 Ų | 115.6 | 58% | 0.579 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -88.1 | 123.6 | -179 | -66 | -75.4 | 0 | 0 | 0 | 111 | W639 | W639-F643 HydrophobicContact CB-CD2 4.45Å; W639-F643 AromaticContact CE3-CE2 3.91Å; W639-F643 HydrophobicContact CE3-CE2 3.91Å; W639-F643 WeakPolarHBondContact O-CD2 3.49Å; W639-F643 PolarHBondContact O-N 3.29Å; W639-F643 VanDerWaalsContact O-N 3.14Å |
| 644 | L | 73.5 | Confident | 72.2 | Confident | 116 Ų | 116 | 108.8 Ų | 108.8 | 61% | 0.607 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 134.3 | 166.9 | -75.3 | 171.9 | 0 | 0 | 0 | 109.7 | A646 M648 I649 | L644-A646 PolarHBondContact O-N 3.45Å; L644-M648 HydrophobicContact CD2-SD 4.32Å; L644-I649 HydrophobicContact CB-CG1 4.12Å |
| 645 | P | 72.6 | Confident | 71.9 | Confident | 69 Ų | 69 | 110 Ų | 110 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 140.9 | 172.3 | -26.3 | 34.6 | 0 | 0 | 0 | 110.7 | S647 M648 I649 | P645-S647 PolarHBondContact O-N 2.7Å; P645-M648 HydrophobicContact CG-SD 4.42Å; P645-M648 WeakPolarHBondContact O-CA 3.34Å; P645-M648 WeakPolarHBondContact O-CB 3.32Å; P645-M648 PolarHBondContact O-N 2.91Å; P645-I649 PolarHBondContact O-N 3.18Å |
| 646 | A | 71.2 | Confident | 72.1 | Confident | 88 Ų | 88 | 108.7 Ų | 108.7 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -19.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L644 M648 | L644-A646 PolarHBondContact O-N 3.45Å; A646-M648 VanDerWaalsContact C-N 3.34Å |
| 647 | S | 76.6 | Confident | 72.2 | Confident | 109 Ų | 109 | 106.2 Ų | 106.2 | 76% | 0.762 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -19.1 | 171.4 | 49.6 | 0 | 0 | 0 | 0 | 114.8 | P645 | P645-S647 PolarHBondContact O-N 2.7Š|
| 648 | M | 77 | Confident | 72.4 | Confident | 126 Ų | 126 | 113 Ų | 113 | 62% | 0.621 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -13.9 | 173.4 | -67.9 | -175.7 | 160.4 | 0 | 0 | 112.9 | L644 P645 A646 T650 | L644-M648 HydrophobicContact CD2-SD 4.32Å; P645-M648 HydrophobicContact CG-SD 4.42Å; P645-M648 WeakPolarHBondContact O-CA 3.34Å; P645-M648 WeakPolarHBondContact O-CB 3.32Å; P645-M648 PolarHBondContact O-N 2.91Å; A646-M648 VanDerWaalsContact C-N 3.34Å; M648-T650 VanDerWaalsContact C-N 3.26Å; M648-T650 PolarHBondContact O-N 2.95Å |
| 649 | I | 74.4 | Confident | 72.7 | Confident | 98 Ų | 98 | 115.4 Ų | 115.4 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | trans | -80.3 | 76.8 | 175.7 | -53.5 | 179 | 0 | 0 | 0 | 108.9 | L644 P645 F651 | L644-I649 HydrophobicContact CB-CG1 4.12Å; P645-I649 PolarHBondContact O-N 3.18Å; I649-F651 PolarHBondContact O-N 2.88Å | ||
| 650 | T | 73.9 | Confident | 72.9 | Confident | 133 Ų | 133 | 114 Ų | 114 | 82% | 0.816 | 59% | 0.591 | S | S | * | * | trans | -77.9 | 114.3 | 172.9 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | M648 | M648-T650 VanDerWaalsContact C-N 3.26Å; M648-T650 PolarHBondContact O-N 2.95Å | ||
| 651 | F | 74.3 | Confident | 73.3 | Confident | 148 Ų | 148 | 115.8 Ų | 115.8 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | trans | -110.2 | 131.6 | 167.5 | 56.9 | -90.9 | 0 | 0 | 0 | 109.9 | I649 V656 | I649-F651 PolarHBondContact O-N 2.88Å; F651-V656 HydrophobicContact CB-CG2 3.82Å; F651-V656 HydrophobicContact CD2-CG2 3.85Å; F651-V656 HydrophobicContact CG-CG2 4.14Å | ||
| 652 | D | 74.1 | Confident | 73.3 | Confident | 87 Ų | 87 | 113.8 Ų | 113.8 | 47% | 0.465 | 58% | 0.583 | S | S | . | * | trans | -76 | 135.5 | 163.1 | -166.9 | -22.1 | 0 | 0 | 0 | 108.2 | S654 D655 V656 | D652-S654 PolarHBondContact O-N 3.39Å; D652-S654 VanDerWaalsContact OD1-CB 3.31Å; D652-S654 WeakPolarHBondContact OD1-CB 3.43Å; D652-S654 PolarHBondContact OD1-N 2.97Å; D652-S654 PolarHBondContact OD1-OG 3.07Å; D652-S654 PolarHBondContact OD2-OG 3.45Å; D652-D655 HydrophobicContact CB-CB 4.36Å; D652-D655 PolarHBondContact O-N 3.1Å; D652-V656 WeakPolarHBondContact O-CG2 3.5Å; D652-V656 PolarHBondContact O-N 3.27Å | ||
| 653 | I | 71.8 | Confident | 73.2 | Confident | 82 Ų | 82 | 113.8 Ų | 113.8 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -56.9 | -33.8 | 170.8 | -56.5 | 177.4 | 0 | 0 | 0 | 109.4 | D655 F657 Y662 | I653-D655 VanDerWaalsContact C-N 3.33Å; I653-D655 PolarHBondContact O-N 2.89Å; I653-F657 HydrophobicContact CG2-CD2 3.78Å; I653-F657 HydrophobicContact CG2-CE2 4.32Å; I653-F657 WeakPolarHBondContact O-CB 3.5Å; I653-F657 WeakPolarHBondContact O-CD2 3.44Å; I653-F657 PolarHBondContact O-N 3.42Å; I653-Y662 HydrophobicContact CG2-CD2 4.26Å; I653-Y662 HydrophobicContact CG2-CE2 3.6Å |
| 654 | S | 71.9 | Confident | 73 | Confident | 52 Ų | 52 | 113.6 Ų | 113.6 | 36% | 0.364 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.2 | -28.5 | 176.9 | -43.2 | 0 | 0 | 0 | 0 | 113.9 | D652 R658 Y662 | D652-S654 PolarHBondContact O-N 3.39Å; D652-S654 VanDerWaalsContact OD1-CB 3.31Å; D652-S654 WeakPolarHBondContact OD1-CB 3.43Å; D652-S654 PolarHBondContact OD1-N 2.97Å; D652-S654 PolarHBondContact OD1-OG 3.07Å; D652-S654 PolarHBondContact OD2-OG 3.45Å; S654-R658 WeakPolarHBondContact O-CA 3.15Å; S654-R658 VanDerWaalsContact O-CB 3.28Å; S654-R658 WeakPolarHBondContact O-CB 3.36Å; S654-R658 PolarHBondContact O-N 3.14Å; S654-Y662 WeakPolarHBondContact CA-OH 3.41Å; S654-Y662 PolarHBondContact N-OH 3.04Å; S654-Y662 PolarHBondContact OG-OH 3.18Å |
| 655 | D | 74.6 | Confident | 72.6 | Confident | 87 Ų | 87 | 117.4 Ų | 117.4 | 47% | 0.465 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -89 | -38.1 | 176 | -76.6 | -36 | 0 | 0 | 0 | 112 | D652 I653 F657 R658 | D652-D655 HydrophobicContact CB-CB 4.36Å; D652-D655 PolarHBondContact O-N 3.1Å; I653-D655 VanDerWaalsContact C-N 3.33Å; I653-D655 PolarHBondContact O-N 2.89Å; D655-F657 VanDerWaalsContact C-N 3.32Å; D655-F657 PolarHBondContact O-N 3.35Å; D655-R658 WeakPolarHBondContact O-CB 3.33Å; D655-R658 IonicContact OD1-CZ 2.7Å; D655-R658 IonicContact OD1-NE 3.81Å; D655-R658 PolarHBondContact OD1-NE 3.3Å; D655-R658 IonicContact OD1-NH2 2.66Å; D655-R658 PolarHBondContact OD1-NH2 2.91Å |
| 656 | V | 74.9 | Confident | 72.3 | Confident | 79 Ų | 79 | 119.4 Ų | 119.4 | 48% | 0.479 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.6 | -39 | 174.4 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | F651 D652 | F651-V656 HydrophobicContact CB-CG2 3.82Å; F651-V656 HydrophobicContact CD2-CG2 3.85Å; F651-V656 HydrophobicContact CG-CG2 4.14Å; D652-V656 WeakPolarHBondContact O-CG2 3.5Å; D652-V656 PolarHBondContact O-N 3.27Å |
| 657 | F | 77.5 | Confident | 71.6 | Confident | 93 Ų | 93 | 127.3 Ų | 127.3 | 41% | 0.408 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.7 | 24.7 | -177.7 | -63.3 | -77.4 | 0 | 0 | 0 | 113.1 | I653 D655 N659 Y660 Y662 | I653-F657 HydrophobicContact CG2-CD2 3.78Å; I653-F657 HydrophobicContact CG2-CE2 4.32Å; I653-F657 WeakPolarHBondContact O-CB 3.5Å; I653-F657 WeakPolarHBondContact O-CD2 3.44Å; I653-F657 PolarHBondContact O-N 3.42Å; D655-F657 VanDerWaalsContact C-N 3.32Å; D655-F657 PolarHBondContact O-N 3.35Å; F657-N659 PolarHBondContact O-N 3.17Å; F657-Y660 HydrophobicContact CD1-CD2 4.1Å; F657-Y660 HydrophobicContact CD1-CG 4.41Å; F657-Y660 PolarHBondContact O-N 2.94Å; F657-Y662 HydrophobicContact CB-CD1 3.48Å; F657-Y662 VanDerWaalsContact CB-CD1 3.48Å; F657-Y662 HydrophobicContact CB-CE1 3.65Å; F657-Y662 HydrophobicContact CB-CG 4.2Å; F657-Y662 HydrophobicContact CG-CD1 4.39Å |
| 658 | R | 70.5 | Confident | 70.5 | Confident | 184 Ų | 184 | 127.2 Ų | 127.2 | 69% | 0.694 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -29.5 | -172.6 | -159.7 | 178.3 | -108.2 | -115.4 | 4.5 | 114.8 | S654 D655 | S654-R658 WeakPolarHBondContact O-CA 3.15Å; S654-R658 VanDerWaalsContact O-CB 3.28Å; S654-R658 WeakPolarHBondContact O-CB 3.36Å; S654-R658 PolarHBondContact O-N 3.14Å; D655-R658 WeakPolarHBondContact O-CB 3.33Å; D655-R658 IonicContact OD1-CZ 2.7Å; D655-R658 IonicContact OD1-NE 3.81Å; D655-R658 PolarHBondContact OD1-NE 3.3Å; D655-R658 IonicContact OD1-NH2 2.66Å; D655-R658 PolarHBondContact OD1-NH2 2.91Å |
| 659 | N | 77.3 | Confident | 69.1 | Low | 157 Ų | 157 | 126.3 Ų | 126.3 | 84% | 0.84 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 2.7 | 179.2 | -63.9 | -10.6 | 0 | 0 | 0 | 113.9 | F657 | F657-N659 PolarHBondContact O-N 3.17Š|
| 660 | Y | 69 | Low | 67.9 | Low | 135 Ų | 135 | 127 Ų | 127 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -109.8 | 137.5 | -177.6 | -71.2 | -83.7 | 0 | 0 | 0 | 111.5 | F657 Y662 | F657-Y660 HydrophobicContact CD1-CD2 4.1Å; F657-Y660 HydrophobicContact CD1-CG 4.41Å; F657-Y660 PolarHBondContact O-N 2.94Å; Y660-Y662 WeakPolarHBondContact O-CD1 3.42Å; Y660-Y662 PolarHBondContact O-N 2.61Å |
| 661 | Q | 73.9 | Confident | 66.6 | Low | 211 Ų | 211 | 124 Ų | 124 | 99% | 0.986 | 64% | 0.635 | S | S | * | * | trans | -78.2 | 86.2 | 168.9 | -68.9 | -167.5 | 12.1 | 0 | 0 | 110.7 | ||||
| 662 | Y | 70.1 | Confident | 65.4 | Low | 83 Ų | 83 | 123.2 Ų | 123.2 | 33% | 0.325 | 64% | 0.637 | S | S | . | * | trans | -98.2 | 148.1 | 172.4 | 72.3 | -78.9 | 0 | 0 | 0 | 111.3 | I653 S654 F657 Y660 I664 | I653-Y662 HydrophobicContact CG2-CD2 4.26Å; I653-Y662 HydrophobicContact CG2-CE2 3.6Å; S654-Y662 WeakPolarHBondContact CA-OH 3.41Å; S654-Y662 PolarHBondContact N-OH 3.04Å; S654-Y662 PolarHBondContact OG-OH 3.18Å; F657-Y662 HydrophobicContact CB-CD1 3.48Å; F657-Y662 VanDerWaalsContact CB-CD1 3.48Å; F657-Y662 HydrophobicContact CB-CE1 3.65Å; F657-Y662 HydrophobicContact CB-CG 4.2Å; F657-Y662 HydrophobicContact CG-CD1 4.39Å; Y660-Y662 WeakPolarHBondContact O-CD1 3.42Å; Y660-Y662 PolarHBondContact O-N 2.61Å; Y662-I664 HydrophobicContact CD2-CG1 3.9Å; Y662-I664 HydrophobicContact CE2-CD1 3.86Å; Y662-I664 HydrophobicContact CE2-CG1 3.49Å; Y662-I664 VanDerWaalsContact CE2-CG1 3.49Å | ||
| 663 | T | 67.9 | Low | 64 | Low | 120 Ų | 120 | 130.4 Ų | 130.4 | 74% | 0.736 | 66% | 0.657 | S | S | * | * | trans | -115.4 | 114.9 | 172.4 | 45.4 | 0 | 0 | 0 | 0 | 110.2 | R665 | T663-R665 PolarHBondContact O-N 3.22Š| ||
| 664 | I | 65.8 | Low | 62.7 | Low | 128 Ų | 128 | 133.9 Ų | 133.9 | 66% | 0.656 | 68% | 0.677 | S | S | * | * | trans | -69.1 | 96.6 | 176.2 | -53.5 | 178.1 | 0 | 0 | 0 | 108.8 | Y662 | Y662-I664 HydrophobicContact CD2-CG1 3.9Å; Y662-I664 HydrophobicContact CE2-CD1 3.86Å; Y662-I664 HydrophobicContact CE2-CG1 3.49Å; Y662-I664 VanDerWaalsContact CE2-CG1 3.49Å | ||
| 665 | R | 64.8 | Low | 61.2 | Low | 196 Ų | 196 | 136.6 Ų | 136.6 | 74% | 0.74 | 69% | 0.691 | S | S | * | * | trans | -76.6 | 127.1 | 168.6 | -67.5 | -171.2 | 176.6 | -145.7 | -1.1 | 109.2 | T663 R667 | T663-R665 PolarHBondContact O-N 3.22Å; R665-R667 PolarHBondContact O-N 3.19Å | ||
| 666 | P | 66.6 | Low | 59.6 | Low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | trans | -61.9 | 133.6 | 175.7 | 25.8 | -33.5 | 0 | 0 | 0 | 109.9 | T668 | P666-T668 PolarHBondContact O-N 3.15Š| ||
| 667 | R | 57.1 | Low | 58 | Low | 255 Ų | 255 | 138.9 Ų | 138.9 | 96% | 0.962 | 73% | 0.727 | S | S | * | * | trans | -68.3 | 88.3 | 179.6 | -79.5 | -180 | 165.2 | 145.4 | -4.5 | 111.1 | R665 | R665-R667 PolarHBondContact O-N 3.19Š| ||
| 668 | T | 52.9 | Low | 56.2 | Low | 106 Ų | 106 | 139 Ų | 139 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | -65 | 154.7 | 158.6 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | P666 S670 | P666-T668 PolarHBondContact O-N 3.15Å; T668-S670 PolarHBondContact O-N 3.28Å | ||
| 669 | S | 48.2 | Very low | 54.7 | Low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -66.2 | 116.7 | -176.4 | 47.4 | 0 | 0 | 0 | 0 | 111.9 | G671 | S669-G671 PolarHBondContact O-N 3.38Š|
| 670 | S | 49.4 | Very low | 53 | Low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 19.7 | 93.8 | 154.5 | 54.9 | 0 | 0 | 0 | 0 | 116.6 | T668 | T668-S670 PolarHBondContact O-N 3.28Š|
| 671 | G | 46.1 | Very low | 51.6 | Low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 178.1 | -26.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | S669 | S669-G671 PolarHBondContact O-N 3.38Š| ||
| 672 | I | 48.5 | Very low | 49.9 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | -111.7 | 52.2 | -165.5 | -35.9 | 177.6 | 0 | 0 | 0 | 112.5 | ||||
| 673 | W | 45.8 | Very low | 48.3 | Very low | 237 Ų | 237 | 134.6 Ų | 134.6 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -99.2 | -4.8 | 177.9 | -80.5 | 82.2 | 0 | 0 | 0 | 114.4 | ||||
| 674 | N | 43.3 | Very low | 46.8 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -122.4 | 51.7 | -170.6 | -73.4 | -16.2 | 0 | 0 | 0 | 114 | ||
| 675 | T | 41.9 | Very low | 45.7 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | trans | -148.6 | 102.1 | 166.8 | 14.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 676 | P | 41.4 | Very low | 44.6 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -71.7 | 132.6 | 161.9 | 30.3 | -31.8 | 0 | 0 | 0 | 109.8 | ||
| 677 | G | 40.2 | Very low | 43.6 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | 89.5 | 75.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 678 | A | 39 | Very low | 42.9 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -151.2 | 66.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 679 | S | 38.7 | Very low | 42.6 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -155.3 | 55.8 | -180 | 64.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 680 | K | 41.7 | Very low | 42.4 | Very low | 216 Ų | 216 | 137.4 Ų | 137.4 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -138.8 | 42.3 | 166 | -76.1 | -161 | 176.7 | -178.1 | 0 | 114.6 | ||
| 681 | S | 40.8 | Very low | 42.3 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -162.1 | 132.2 | 155.6 | 46.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 682 | S | 37.4 | Very low | 41.8 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | 65.4 | 55.2 | 55.4 | -156.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 683 | T | 37.9 | Very low | 41.3 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | 178.9 | 118.3 | 139.2 | -77.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 684 | G | 36.3 | Very low | 41 | Very low | 60 Ų | 60 | 143.8 Ų | 143.8 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | trans | -164.1 | -22.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S686 | G684-S686 VanDerWaalsContact C-N 3.26Å; G684-S686 PolarHBondContact O-N 2.9Å | ||
| 685 | R | 41.5 | Very low | 40.9 | Very low | 261 Ų | 261 | 143.2 Ų | 143.2 | 99% | 0.985 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 71.9 | 171.3 | -70 | -176.6 | 174.9 | -179.1 | -1.5 | 111.4 | ||
| 686 | S | 42.6 | Very low | 40.9 | Very low | 81 Ų | 81 | 145.1 Ų | 145.1 | 57% | 0.566 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.2 | -41.2 | 173.9 | -169.7 | 0 | 0 | 0 | 0 | 115.3 | G684 L688 K689 | G684-S686 VanDerWaalsContact C-N 3.26Å; G684-S686 PolarHBondContact O-N 2.9Å; S686-L688 VanDerWaalsContact C-N 3.32Å; S686-L688 PolarHBondContact O-N 3.37Å; S686-L688 VanDerWaalsContact O-N 3.16Å; S686-K689 PolarHBondContact O-N 3.19Å |
| 687 | I | 44.1 | Very low | 40.8 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 70% | 0.703 | 82% | 0.817 | S | S | * | * | G | 310 helix | trans | -66.8 | -28.2 | -160.8 | -61.1 | 176.4 | 0 | 0 | 0 | 113.8 | K689 | I687-K689 PolarHBondContact O-N 3.21Š|
| 688 | L | 42.8 | Very low | 40.9 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | G | 310 helix | trans | -76.3 | 7 | 178.9 | -72.4 | 172 | 0 | 0 | 0 | 115.4 | S686 | S686-L688 VanDerWaalsContact C-N 3.32Å; S686-L688 PolarHBondContact O-N 3.37Å; S686-L688 VanDerWaalsContact O-N 3.16Å |
| 689 | K | 46.1 | Very low | 41 | Very low | 183 Ų | 183 | 153.5 Ų | 153.5 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | G | 310 helix | trans | -111.1 | 11 | 173 | -91 | -163.4 | 172.6 | -168.4 | 0 | 115.1 | S686 I687 | S686-K689 PolarHBondContact O-N 3.19Å; I687-K689 PolarHBondContact O-N 3.21Å |
| 690 | K | 44.8 | Very low | 41.1 | Very low | 188 Ų | 188 | 157.6 Ų | 157.6 | 82% | 0.817 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -114.1 | 19.3 | 177.9 | -81.2 | -165 | 169.7 | -169.9 | 0 | 115.3 | ||
| 691 | I | 46.8 | Very low | 41.1 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -129.9 | 24.2 | 173.3 | -43.1 | -179.8 | 0 | 0 | 0 | 109.6 | ||
| 692 | L | 36 | Very low | 41.1 | Very low | 158 Ų | 158 | 157.1 Ų | 157.1 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | trans | -154.5 | 55.8 | -178.7 | -151.9 | 89.5 | 0 | 0 | 0 | 111.6 | ||||
| 693 | L | 37.3 | Very low | 41.5 | Very low | 232 Ų | 232 | 160.6 Ų | 160.6 | 100% | 1.215 | 83% | 0.826 | S | S | * | * | trans | -161.3 | 0 | 169.9 | -113.1 | 162.5 | 0 | 0 | 0 | 108.4 |
Retrieved 693 of 693 residues in 653.6 ms
(Link to these results)