| 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 | 38.9 | Very low | 51.3 | Low | 240 Ų | 240 | 120.7 Ų | 120.7 | 100% | 1.182 | 65% | 0.645 | S | S | * | * | 0 | 105.5 | 0 | -87.9 | 173.8 | 170.3 | 0 | 0 | 107.9 | |||||
| 2 | F | 45.2 | Very low | 51.1 | Low | 215 Ų | 215 | 122.8 Ų | 122.8 | 94% | 0.943 | 64% | 0.637 | S | S | * | * | trans | -98 | 108.7 | 161.6 | -74.7 | -80.2 | 0 | 0 | 0 | 105.4 | A4 | F2-A4 PolarHBondContact O-N 3.45Š| ||
| 3 | S | 49.7 | Very low | 50.9 | Low | 94 Ų | 94 | 121.8 Ų | 121.8 | 66% | 0.657 | 65% | 0.648 | S | S | * | * | trans | -55 | 124.7 | 174.8 | 41.8 | 0 | 0 | 0 | 0 | 108.5 | F5 | S3-F5 VanDerWaalsContact C-N 3.28Å; S3-F5 PolarHBondContact O-N 3.06Å | ||
| 4 | A | 54.9 | Low | 50.9 | Low | 101 Ų | 101 | 116.6 Ų | 116.6 | 84% | 0.835 | 63% | 0.625 | S | S | * | * | trans | -69.4 | 94.3 | 168 | 0 | 0 | 0 | 0 | 0 | 106.6 | F2 S6 | F2-A4 PolarHBondContact O-N 3.45Å; A4-S6 PolarHBondContact O-N 3.23Å; A4-S6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | F | 49.7 | Very low | 50.7 | Low | 134 Ų | 134 | 121.8 Ų | 121.8 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | trans | -51.6 | 120.6 | 160.3 | -85.9 | -86.9 | 0 | 0 | 0 | 106.8 | S3 E9 L10 | S3-F5 VanDerWaalsContact C-N 3.28Å; S3-F5 PolarHBondContact O-N 3.06Å; F5-E9 HydrophobicContact CD1-CB 4.02Å; F5-E9 HydrophobicContact CD1-CG 4.44Å; F5-E9 WeakPolarHBondContact CD1-OE2 3.49Å; F5-L10 HydrophobicContact CB-CD1 4.48Å | ||
| 6 | S | 55.7 | Low | 50.5 | Low | 56 Ų | 56 | 126.8 Ų | 126.8 | 39% | 0.392 | 65% | 0.647 | S | S | . | * | trans | -63.3 | 145.6 | 174.2 | 59.1 | 0 | 0 | 0 | 0 | 107.9 | A4 D8 E9 | A4-S6 PolarHBondContact O-N 3.23Å; A4-S6 VanDerWaalsContact O-N 3.12Å; S6-D8 PolarHBondContact O-N 2.84Å; S6-D8 VanDerWaalsContact O-N 3.09Å; S6-E9 PolarHBondContact O-N 2.8Å; S6-E9 PolarHBondContact OG-N 3.4Å | ||
| 7 | L | 52.3 | Low | 50.4 | Low | 113 Ų | 113 | 123.5 Ų | 123.5 | 59% | 0.592 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -53.3 | -30 | 174 | -112.1 | 148.6 | 0 | 0 | 0 | 111.1 | L10 L11 V37 | L7-L10 PolarHBondContact O-N 2.74Å; L7-L11 VanDerWaalsContact O-CG 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.19Å; L7-L11 PolarHBondContact O-N 2.9Å; L7-V37 HydrophobicContact CD2-CG2 4.4Å |
| 8 | D | 52 | Low | 50.1 | Low | 99 Ų | 99 | 129.3 Ų | 129.3 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -58.3 | -53.2 | 170.2 | -66.8 | -56.9 | 0 | 0 | 0 | 112 | S6 L10 L11 W12 | S6-D8 PolarHBondContact O-N 2.84Å; S6-D8 VanDerWaalsContact O-N 3.09Å; D8-L10 PolarHBondContact O-N 2.98Å; D8-L11 PolarHBondContact O-N 2.84Å; D8-W12 WeakPolarHBondContact O-CB 3.47Å; D8-W12 PolarHBondContact O-N 3.04Å |
| 9 | E | 55.9 | Low | 50.4 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 52% | 0.523 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -55 | -34.1 | -179.2 | -109.7 | 174.8 | 158.3 | 0 | 0 | 114.1 | F5 S6 | F5-E9 HydrophobicContact CD1-CB 4.02Å; F5-E9 HydrophobicContact CD1-CG 4.44Å; F5-E9 WeakPolarHBondContact CD1-OE2 3.49Å; S6-E9 PolarHBondContact O-N 2.8Å; S6-E9 PolarHBondContact OG-N 3.4Å |
| 10 | L | 55.3 | Low | 50.3 | Low | 75 Ų | 75 | 137.9 Ų | 137.9 | 39% | 0.393 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -72.5 | -34.3 | 175.1 | -90.6 | 145 | 0 | 0 | 0 | 113.5 | F5 L7 D8 L33 | F5-L10 HydrophobicContact CB-CD1 4.48Å; L7-L10 PolarHBondContact O-N 2.74Å; D8-L10 PolarHBondContact O-N 2.98Å; L10-L33 HydrophobicContact CB-CD2 4.41Å; L10-L33 HydrophobicContact CD2-CD2 3.71Å |
| 11 | L | 54.5 | Low | 50.6 | Low | 89 Ų | 89 | 137.9 Ų | 137.9 | 47% | 0.466 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -80.5 | -24.5 | 179.7 | -70.4 | 168.1 | 0 | 0 | 0 | 112.5 | L7 D8 P14 L33 | L7-L11 VanDerWaalsContact O-CG 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.19Å; L7-L11 PolarHBondContact O-N 2.9Å; D8-L11 PolarHBondContact O-N 2.84Å; L11-P14 WeakPolarHBondContact O-CD 3.39Å; L11-L33 HydrophobicContact CD2-CD1 4.24Å |
| 12 | W | 49.2 | Very low | 51.3 | Low | 145 Ų | 145 | 127.8 Ų | 127.8 | 55% | 0.549 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -93.7 | 4.8 | -171.1 | -76.4 | 89.8 | 0 | 0 | 0 | 115.3 | D8 W15 | D8-W12 WeakPolarHBondContact O-CB 3.47Å; D8-W12 PolarHBondContact O-N 3.04Å; W12-W15 AromaticContact CD2-NE1 3.97Å; W12-W15 AromaticContact CE3-CD1 3.86Å; W12-W15 HydrophobicContact CE3-CD2 4.41Å; W12-W15 AromaticContact CE3-CE2 3.52Å; W12-W15 AromaticContact CE3-CZ2 3.82Å; W12-W15 HydrophobicContact CE3-CZ2 3.82Å; W12-W15 AromaticContact CE3-NE1 3.11Å; W12-W15 HydrophobicContact CH2-CH2 4.5Å; W12-W15 AromaticContact CH2-CZ2 3.75Å; W12-W15 HydrophobicContact CH2-CZ2 3.75Å; W12-W15 HydrophobicContact CZ3-CD2 4.32Å; W12-W15 AromaticContact CZ3-CE2 3.33Å; W12-W15 AromaticContact CZ3-CH2 3.95Å; W12-W15 HydrophobicContact CZ3-CH2 3.95Å; W12-W15 AromaticContact CZ3-CZ2 3.12Å; W12-W15 HydrophobicContact CZ3-CZ2 3.12Å; W12-W15 AromaticContact CZ3-NE1 3.46Å; W12-W15 VanDerWaalsContact O-CD1 3.31Å |
| 13 | S | 48 | Very low | 51.7 | Low | 111 Ų | 111 | 124.7 Ų | 124.7 | 78% | 0.776 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 66.5 | 168.9 | -77 | 0 | 0 | 0 | 0 | 113.9 | ||
| 14 | P | 50.7 | Low | 52.1 | Low | 49 Ų | 49 | 124.9 Ų | 124.9 | 32% | 0.318 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.8 | 16.6 | 142.7 | 25.9 | -6.1 | 0 | 0 | 0 | 114.2 | L11 K16 C17 | L11-P14 WeakPolarHBondContact O-CD 3.39Å; P14-K16 PolarHBondContact O-N 3.29Å; P14-C17 WeakPolarHBondContact O-CB 3.35Å; P14-C17 PolarHBondContact O-N 2.94Å |
| 15 | W | 49 | Very low | 52.3 | Low | 194 Ų | 194 | 124.8 Ų | 124.8 | 74% | 0.735 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -1.1 | -178.2 | -74.5 | 72.7 | 0 | 0 | 0 | 115.6 | W12 | W12-W15 AromaticContact CD2-NE1 3.97Å; W12-W15 AromaticContact CE3-CD1 3.86Å; W12-W15 HydrophobicContact CE3-CD2 4.41Å; W12-W15 AromaticContact CE3-CE2 3.52Å; W12-W15 AromaticContact CE3-CZ2 3.82Å; W12-W15 HydrophobicContact CE3-CZ2 3.82Å; W12-W15 AromaticContact CE3-NE1 3.11Å; W12-W15 HydrophobicContact CH2-CH2 4.5Å; W12-W15 AromaticContact CH2-CZ2 3.75Å; W12-W15 HydrophobicContact CH2-CZ2 3.75Å; W12-W15 HydrophobicContact CZ3-CD2 4.32Å; W12-W15 AromaticContact CZ3-CE2 3.33Å; W12-W15 AromaticContact CZ3-CH2 3.95Å; W12-W15 HydrophobicContact CZ3-CH2 3.95Å; W12-W15 AromaticContact CZ3-CZ2 3.12Å; W12-W15 HydrophobicContact CZ3-CZ2 3.12Å; W12-W15 AromaticContact CZ3-NE1 3.46Å; W12-W15 VanDerWaalsContact O-CD1 3.31Å |
| 16 | K | 46.9 | Very low | 52.9 | Low | 202 Ų | 202 | 120.9 Ų | 120.9 | 88% | 0.878 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -2.1 | 171.9 | -75.7 | -171.4 | 179.5 | 178.4 | 0 | 114.3 | P14 R18 | P14-K16 PolarHBondContact O-N 3.29Å; K16-R18 PolarHBondContact O-N 3.24Å; K16-R18 VanDerWaalsContact O-N 3.07Å |
| 17 | C | 48 | Very low | 53.7 | Low | 70 Ų | 70 | 123.1 Ų | 123.1 | 47% | 0.473 | 59% | 0.585 | S | S | . | * | trans | -70.5 | 106.4 | 173.3 | -110.9 | 0 | 0 | 0 | 0 | 108.4 | P14 R19 D22 | P14-C17 WeakPolarHBondContact O-CB 3.35Å; P14-C17 PolarHBondContact O-N 2.94Å; C17-R19 PolarHBondContact O-N 3.45Å; C17-D22 HydrophobicContact CB-CB 4.27Å; C17-D22 VanDerWaalsContact CB-OD1 3.24Å; C17-D22 WeakPolarHBondContact CB-OD1 3.4Å; C17-D22 WeakPolarHBondContact CB-OD2 3.31Å; C17-D22 VanDerWaalsContact O-OD2 3.04Å; C17-D22 PolarHBondContact SG-OD1 3.13Å | ||
| 18 | R | 45.3 | Very low | 54.8 | Low | 229 Ų | 229 | 121.6 Ų | 121.6 | 86% | 0.864 | 58% | 0.577 | S | S | * | * | trans | -81.2 | 108.3 | -173.8 | -87.2 | -177.3 | 173.9 | 179.6 | -0.9 | 108.6 | K16 D22 | K16-R18 PolarHBondContact O-N 3.24Å; K16-R18 VanDerWaalsContact O-N 3.07Å; R18-D22 VanDerWaalsContact C-OD2 3.29Å; R18-D22 PolarHBondContact N-OD2 3.49Å | ||
| 19 | R | 56.6 | Low | 55.8 | Low | 220 Ų | 220 | 121.3 Ų | 121.3 | 83% | 0.83 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 45 | 95.3 | 142.6 | -58.3 | -170.3 | -169.2 | -172.9 | 3.3 | 114.8 | C17 D22 | C17-R19 PolarHBondContact O-N 3.45Å; R19-D22 PolarHBondContact N-OD2 2.92Å |
| 20 | Y | 47.3 | Very low | 56.6 | Low | 209 Ų | 209 | 123.4 Ų | 123.4 | 82% | 0.82 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 113 | -12.4 | 149.4 | -68.6 | -81 | 0 | 0 | 0 | 120.1 | ||
| 21 | D | 56.5 | Low | 57.6 | Low | 138 Ų | 138 | 122 Ų | 122 | 74% | 0.738 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -111.3 | 9.6 | 168.1 | -99.9 | -34.4 | 0 | 0 | 0 | 113.6 | H25 | D21-H25 PolarHBondContact O-ND1 3.36Å; D21-H25 VanDerWaalsContact O-ND1 3.14Å |
| 22 | D | 54.6 | Low | 59 | Low | 28 Ų | 28 | 123 Ų | 123 | 15% | 0.15 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -92.4 | -13 | -165.9 | -66.9 | -42.3 | 0 | 0 | 0 | 114.9 | C17 R18 R19 H25 C26 | C17-D22 HydrophobicContact CB-CB 4.27Å; C17-D22 VanDerWaalsContact CB-OD1 3.24Å; C17-D22 WeakPolarHBondContact CB-OD1 3.4Å; C17-D22 WeakPolarHBondContact CB-OD2 3.31Å; C17-D22 VanDerWaalsContact O-OD2 3.04Å; C17-D22 PolarHBondContact SG-OD1 3.13Å; R18-D22 VanDerWaalsContact C-OD2 3.29Å; R18-D22 PolarHBondContact N-OD2 3.49Å; R19-D22 PolarHBondContact N-OD2 2.92Å; D22-H25 PolarHBondContact O-N 3.14Å; D22-C26 WeakPolarHBondContact O-CA 3.47Å; D22-C26 WeakPolarHBondContact O-CB 3.24Å; D22-C26 PolarHBondContact O-N 3.48Å; D22-C26 PolarHBondContact O-SG 2.81Å |
| 23 | H | 52.6 | Low | 60.5 | Low | 150 Ų | 150 | 118.4 Ų | 118.4 | 69% | 0.694 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64 | -47.7 | -179.4 | -72.2 | -63.7 | 0 | 0 | 0 | 110.9 | H25 C26 D27 | H23-H25 PolarHBondContact O-N 3.37Å; H23-C26 PolarHBondContact O-N 2.91Å; H23-D27 WeakPolarHBondContact O-CB 3.36Å; H23-D27 PolarHBondContact O-N 3.35Å |
| 24 | V | 58.3 | Low | 62 | Low | 99 Ų | 99 | 118.2 Ų | 118.2 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | D27 I28 | V24-D27 PolarHBondContact O-N 2.85Å; V24-I28 HydrophobicContact CG1-CD1 3.84Å; V24-I28 HydrophobicContact CG1-CG1 4.43Å; V24-I28 WeakPolarHBondContact O-CB 3.32Å; V24-I28 VanDerWaalsContact O-CG1 3.23Å; V24-I28 WeakPolarHBondContact O-CG1 3.27Å; V24-I28 PolarHBondContact O-N 3.49Å |
| 25 | H | 60.4 | Low | 63.6 | Low | 99 Ų | 99 | 119.9 Ų | 119.9 | 46% | 0.458 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.7 | -42.9 | 177.8 | -77.1 | 89.4 | 0 | 0 | 0 | 112.4 | D21 D22 H23 D27 I28 H29 | D21-H25 PolarHBondContact O-ND1 3.36Å; D21-H25 VanDerWaalsContact O-ND1 3.14Å; D22-H25 PolarHBondContact O-N 3.14Å; H23-H25 PolarHBondContact O-N 3.37Å; H25-D27 VanDerWaalsContact C-N 3.32Å; H25-D27 PolarHBondContact O-N 3.24Å; H25-I28 PolarHBondContact O-N 3.47Å; H25-H29 WeakPolarHBondContact O-CB 3.45Å; H25-H29 PolarHBondContact O-CD2 2.96Å; H25-H29 PolarHBondContact O-N 3.41Å |
| 26 | C | 62.1 | Low | 65.1 | Low | 52 Ų | 52 | 116 Ų | 116 | 35% | 0.351 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.2 | -72.3 | 0 | 0 | 0 | 0 | 111 | D22 H23 H29 R30 | D22-C26 WeakPolarHBondContact O-CA 3.47Å; D22-C26 WeakPolarHBondContact O-CB 3.24Å; D22-C26 PolarHBondContact O-N 3.48Å; D22-C26 PolarHBondContact O-SG 2.81Å; H23-C26 PolarHBondContact O-N 2.91Å; C26-H29 PolarHBondContact O-N 3.32Å; C26-R30 WeakPolarHBondContact O-CB 3.45Å; C26-R30 PolarHBondContact O-N 2.91Å |
| 27 | D | 73.1 | Confident | 67 | Low | 102 Ų | 102 | 109 Ų | 109 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 177.8 | -73.2 | -22.8 | 0 | 0 | 0 | 111.6 | H23 V24 H25 R30 A31 | H23-D27 WeakPolarHBondContact O-CB 3.36Å; H23-D27 PolarHBondContact O-N 3.35Å; V24-D27 PolarHBondContact O-N 2.85Å; H25-D27 VanDerWaalsContact C-N 3.32Å; H25-D27 PolarHBondContact O-N 3.24Å; D27-R30 PolarHBondContact O-N 3.34Å; D27-A31 WeakPolarHBondContact O-CB 3.49Å; D27-A31 PolarHBondContact O-N 3.5Å |
| 28 | I | 75.2 | Confident | 68.7 | Low | 82 Ų | 82 | 111.1 Ų | 111.1 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 173.7 | -70.1 | 167 | 0 | 0 | 0 | 110.4 | V24 H25 R30 A31 Q32 | V24-I28 HydrophobicContact CG1-CD1 3.84Å; V24-I28 HydrophobicContact CG1-CG1 4.43Å; V24-I28 WeakPolarHBondContact O-CB 3.32Å; V24-I28 VanDerWaalsContact O-CG1 3.23Å; V24-I28 WeakPolarHBondContact O-CG1 3.27Å; V24-I28 PolarHBondContact O-N 3.49Å; H25-I28 PolarHBondContact O-N 3.47Å; I28-R30 VanDerWaalsContact C-N 3.31Å; I28-R30 PolarHBondContact O-N 3.45Å; I28-A31 PolarHBondContact O-N 3.34Å; I28-Q32 HydrophobicContact CG2-CG 4.28Å; I28-Q32 WeakPolarHBondContact O-CB 3.49Å; I28-Q32 VanDerWaalsContact O-CG 3.25Å; I28-Q32 WeakPolarHBondContact O-CG 3.43Å; I28-Q32 PolarHBondContact O-N 2.99Å |
| 29 | H | 71.5 | Confident | 70.7 | Confident | 92 Ų | 92 | 105.2 Ų | 105.2 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 178 | -77.8 | -57.6 | 0 | 0 | 0 | 111.6 | H25 C26 Q32 L33 | H25-H29 WeakPolarHBondContact O-CB 3.45Å; H25-H29 PolarHBondContact O-CD2 2.96Å; H25-H29 PolarHBondContact O-N 3.41Å; C26-H29 PolarHBondContact O-N 3.32Å; H29-Q32 PolarHBondContact ND1-OE1 2.89Å; H29-Q32 PolarHBondContact O-N 2.87Å; H29-L33 WeakPolarHBondContact O-CB 3.23Å; H29-L33 VanDerWaalsContact O-CG 3.29Å; H29-L33 WeakPolarHBondContact O-CG 3.49Å; H29-L33 PolarHBondContact O-N 3.34Å |
| 30 | R | 73.5 | Confident | 72.1 | Confident | 156 Ų | 156 | 101 Ų | 101 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 174.6 | -173 | 178 | -178.2 | 176.6 | 1.7 | 111.2 | C26 D27 I28 L33 Q34 | C26-R30 WeakPolarHBondContact O-CB 3.45Å; C26-R30 PolarHBondContact O-N 2.91Å; D27-R30 PolarHBondContact O-N 3.34Å; I28-R30 VanDerWaalsContact C-N 3.31Å; I28-R30 PolarHBondContact O-N 3.45Å; R30-L33 PolarHBondContact O-N 3.37Å; R30-Q34 WeakPolarHBondContact O-CB 3.33Å; R30-Q34 VanDerWaalsContact O-CG 3.31Å; R30-Q34 WeakPolarHBondContact O-CG 3.34Å; R30-Q34 PolarHBondContact O-N 2.85Å |
| 31 | A | 77 | Confident | 73.9 | Confident | 45 Ų | 45 | 95 Ų | 95 | 37% | 0.372 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D27 I28 Q34 C35 | D27-A31 WeakPolarHBondContact O-CB 3.49Å; D27-A31 PolarHBondContact O-N 3.5Å; I28-A31 PolarHBondContact O-N 3.34Å; A31-Q34 PolarHBondContact O-N 3.25Å; A31-C35 WeakPolarHBondContact O-CB 3.42Å; A31-C35 PolarHBondContact O-N 3.21Å; A31-C35 PolarHBondContact O-SG 3.31Å |
| 32 | Q | 82.5 | Confident | 75.3 | Confident | 111 Ų | 111 | 93.6 Ų | 93.6 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 175.4 | -75.4 | 174.7 | -19.9 | 0 | 0 | 112 | I28 H29 C35 Y36 | I28-Q32 HydrophobicContact CG2-CG 4.28Å; I28-Q32 WeakPolarHBondContact O-CB 3.49Å; I28-Q32 VanDerWaalsContact O-CG 3.25Å; I28-Q32 WeakPolarHBondContact O-CG 3.43Å; I28-Q32 PolarHBondContact O-N 2.99Å; H29-Q32 PolarHBondContact ND1-OE1 2.89Å; H29-Q32 PolarHBondContact O-N 2.87Å; Q32-C35 PolarHBondContact O-N 3.33Å; Q32-Y36 WeakPolarHBondContact O-CB 3.38Å; Q32-Y36 PolarHBondContact O-N 3.15Å |
| 33 | L | 80.6 | Confident | 76.8 | Confident | 48 Ų | 48 | 95.9 Ų | 95.9 | 25% | 0.251 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 176 | -76.2 | 170.7 | 0 | 0 | 0 | 111.4 | L10 L11 H29 R30 Y36 V37 | L10-L33 HydrophobicContact CB-CD2 4.41Å; L10-L33 HydrophobicContact CD2-CD2 3.71Å; L11-L33 HydrophobicContact CD2-CD1 4.24Å; H29-L33 WeakPolarHBondContact O-CB 3.23Å; H29-L33 VanDerWaalsContact O-CG 3.29Å; H29-L33 WeakPolarHBondContact O-CG 3.49Å; H29-L33 PolarHBondContact O-N 3.34Å; R30-L33 PolarHBondContact O-N 3.37Å; L33-Y36 PolarHBondContact O-N 2.79Å; L33-V37 WeakPolarHBondContact O-CG2 3.2Å; L33-V37 PolarHBondContact O-N 2.9Å |
| 34 | Q | 81 | Confident | 78.4 | Confident | 107 Ų | 107 | 95.9 Ų | 95.9 | 50% | 0.5 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 174.5 | -75.9 | 177.4 | -22.5 | 0 | 0 | 111.5 | R30 A31 Y36 V37 L38 | R30-Q34 WeakPolarHBondContact O-CB 3.33Å; R30-Q34 VanDerWaalsContact O-CG 3.31Å; R30-Q34 WeakPolarHBondContact O-CG 3.34Å; R30-Q34 PolarHBondContact O-N 2.85Å; A31-Q34 PolarHBondContact O-N 3.25Å; Q34-Y36 VanDerWaalsContact C-N 3.31Å; Q34-Y36 PolarHBondContact O-N 2.95Å; Q34-V37 PolarHBondContact O-N 3.45Å; Q34-L38 WeakPolarHBondContact O-CB 3.44Å; Q34-L38 VanDerWaalsContact O-CG 3.31Å; Q34-L38 WeakPolarHBondContact O-CG 3.37Å; Q34-L38 PolarHBondContact O-N 3.05Å |
| 35 | C | 82.7 | Confident | 79.7 | Confident | 84 Ų | 84 | 96.7 Ų | 96.7 | 57% | 0.568 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.7 | -42.6 | 174.5 | -72.5 | 0 | 0 | 0 | 0 | 111.8 | A31 Q32 L38 Q39 | A31-C35 WeakPolarHBondContact O-CB 3.42Å; A31-C35 PolarHBondContact O-N 3.21Å; A31-C35 PolarHBondContact O-SG 3.31Å; Q32-C35 PolarHBondContact O-N 3.33Å; C35-L38 PolarHBondContact O-N 3.14Å; C35-Q39 VanDerWaalsContact O-CB 3.28Å; C35-Q39 WeakPolarHBondContact O-CB 3.44Å; C35-Q39 PolarHBondContact O-N 2.93Å |
| 36 | Y | 82.4 | Confident | 80.7 | Confident | 112 Ų | 112 | 93.9 Ų | 93.9 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 177.6 | -178.8 | -105.2 | 0 | 0 | 0 | 112.4 | Q32 L33 Q34 Q39 R40 | Q32-Y36 WeakPolarHBondContact O-CB 3.38Å; Q32-Y36 PolarHBondContact O-N 3.15Å; L33-Y36 PolarHBondContact O-N 2.79Å; Q34-Y36 VanDerWaalsContact C-N 3.31Å; Q34-Y36 PolarHBondContact O-N 2.95Å; Y36-Q39 PolarHBondContact O-N 3.48Å; Y36-R40 HydrophobicContact CE1-CG 4.43Å; Y36-R40 WeakPolarHBondContact O-CG 3.34Å; Y36-R40 PolarHBondContact O-N 3.05Å; Y36-R40 VanDerWaalsContact OH-CZ 3.26Å; Y36-R40 PolarHBondContact OH-NH1 3.23Å |
| 37 | V | 85.3 | Confident | 81.8 | Confident | 56 Ų | 56 | 96.6 Ų | 96.6 | 34% | 0.339 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 176.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | L7 L33 Q34 Q39 R40 L41 | L7-V37 HydrophobicContact CD2-CG2 4.4Å; L33-V37 WeakPolarHBondContact O-CG2 3.2Å; L33-V37 PolarHBondContact O-N 2.9Å; Q34-V37 PolarHBondContact O-N 3.45Å; V37-Q39 VanDerWaalsContact C-N 3.35Å; V37-Q39 PolarHBondContact O-N 2.8Å; V37-R40 PolarHBondContact O-N 2.96Å; V37-L41 HydrophobicContact CG1-CD1 4.12Å; V37-L41 WeakPolarHBondContact O-CG 3.37Å; V37-L41 PolarHBondContact O-N 3.12Å |
| 38 | L | 83.8 | Confident | 82.2 | Confident | 115 Ų | 115 | 97.5 Ų | 97.5 | 60% | 0.602 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 177.3 | -72.2 | 173.9 | 0 | 0 | 0 | 111.8 | Q34 C35 R40 L41 H42 | Q34-L38 WeakPolarHBondContact O-CB 3.44Å; Q34-L38 VanDerWaalsContact O-CG 3.31Å; Q34-L38 WeakPolarHBondContact O-CG 3.37Å; Q34-L38 PolarHBondContact O-N 3.05Å; C35-L38 PolarHBondContact O-N 3.14Å; L38-R40 PolarHBondContact O-N 3.32Å; L38-L41 PolarHBondContact O-N 2.93Å; L38-H42 WeakPolarHBondContact O-CB 3.44Å; L38-H42 PolarHBondContact O-N 3.02Å |
| 39 | Q | 87.3 | Confident | 82.5 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176 | -172.6 | 65.1 | 53.8 | 0 | 0 | 111.8 | C35 Y36 V37 H42 N43 | C35-Q39 VanDerWaalsContact O-CB 3.28Å; C35-Q39 WeakPolarHBondContact O-CB 3.44Å; C35-Q39 PolarHBondContact O-N 2.93Å; Y36-Q39 PolarHBondContact O-N 3.48Å; V37-Q39 VanDerWaalsContact C-N 3.35Å; V37-Q39 PolarHBondContact O-N 2.8Å; Q39-H42 PolarHBondContact O-N 3.47Å; Q39-N43 PolarHBondContact NE2-OD1 2.95Å; Q39-N43 WeakPolarHBondContact O-CB 3.37Å; Q39-N43 PolarHBondContact O-N 3.45Å; Q39-N43 PolarHBondContact O-OD1 3.31Å |
| 40 | R | 86.8 | Confident | 82.8 | Confident | 132 Ų | 132 | 99.9 Ų | 99.9 | 50% | 0.498 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 176.4 | -74.2 | -171.6 | 110.6 | 158.2 | 5.5 | 112.1 | Y36 V37 L38 N43 R44 | Y36-R40 HydrophobicContact CE1-CG 4.43Å; Y36-R40 WeakPolarHBondContact O-CG 3.34Å; Y36-R40 PolarHBondContact O-N 3.05Å; Y36-R40 VanDerWaalsContact OH-CZ 3.26Å; Y36-R40 PolarHBondContact OH-NH1 3.23Å; V37-R40 PolarHBondContact O-N 2.96Å; L38-R40 PolarHBondContact O-N 3.32Å; R40-N43 PolarHBondContact O-N 2.82Å; R40-R44 WeakPolarHBondContact O-CG 3.28Å; R40-R44 PolarHBondContact O-N 3.46Å |
| 41 | L | 85.1 | Confident | 82.9 | Confident | 84 Ų | 84 | 98.4 Ų | 98.4 | 44% | 0.44 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 174.8 | -73.3 | 172.4 | 0 | 0 | 0 | 110.9 | V37 L38 N43 R44 L45 | V37-L41 HydrophobicContact CG1-CD1 4.12Å; V37-L41 WeakPolarHBondContact O-CG 3.37Å; V37-L41 PolarHBondContact O-N 3.12Å; L38-L41 PolarHBondContact O-N 2.93Å; L41-N43 PolarHBondContact O-N 3.44Å; L41-R44 PolarHBondContact O-N 2.86Å; L41-L45 WeakPolarHBondContact O-CG 3.29Å; L41-L45 PolarHBondContact O-N 2.93Å |
| 42 | H | 86.2 | Confident | 82.9 | Confident | 108 Ų | 108 | 99.1 Ų | 99.1 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.3 | -50 | 175.4 | -179.6 | -87.5 | 0 | 0 | 0 | 111.3 | L38 Q39 R44 L45 S46 | L38-H42 WeakPolarHBondContact O-CB 3.44Å; L38-H42 PolarHBondContact O-N 3.02Å; Q39-H42 PolarHBondContact O-N 3.47Å; H42-R44 VanDerWaalsContact C-N 3.3Å; H42-R44 PolarHBondContact O-N 3.29Å; H42-L45 PolarHBondContact O-N 3.09Å; H42-L45 VanDerWaalsContact O-N 3.14Å; H42-S46 PolarHBondContact CE1-OG 2.92Å; H42-S46 VanDerWaalsContact CE1-OG 3.23Å; H42-S46 PolarHBondContact O-N 3.46Å; H42-S46 PolarHBondContact O-OG 3.23Å; H42-S46 VanDerWaalsContact O-OG 3.05Å |
| 43 | N | 84.7 | Confident | 82.7 | Confident | 76 Ų | 76 | 97.2 Ų | 97.2 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 179.1 | -69.6 | -5 | 0 | 0 | 0 | 112.3 | Q39 R40 L41 M47 | Q39-N43 PolarHBondContact NE2-OD1 2.95Å; Q39-N43 WeakPolarHBondContact O-CB 3.37Å; Q39-N43 PolarHBondContact O-N 3.45Å; Q39-N43 PolarHBondContact O-OD1 3.31Å; R40-N43 PolarHBondContact O-N 2.82Å; L41-N43 PolarHBondContact O-N 3.44Å; N43-M47 WeakPolarHBondContact O-CB 3.31Å; N43-M47 WeakPolarHBondContact O-CG 3.39Å; N43-M47 PolarHBondContact O-N 3.41Å |
| 44 | R | 86.7 | Confident | 82.1 | Confident | 149 Ų | 149 | 103.4 Ų | 103.4 | 56% | 0.562 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.5 | -46.8 | 174.7 | -75.5 | 176.3 | 174.2 | -176.3 | -1.1 | 111.6 | R40 L41 H42 M47 M48 | R40-R44 WeakPolarHBondContact O-CG 3.28Å; R40-R44 PolarHBondContact O-N 3.46Å; L41-R44 PolarHBondContact O-N 2.86Å; H42-R44 VanDerWaalsContact C-N 3.3Å; H42-R44 PolarHBondContact O-N 3.29Å; R44-M47 HydrophobicContact CG-CE 4.46Å; R44-M47 PolarHBondContact O-N 2.89Å; R44-M48 WeakPolarHBondContact O-CG 3.41Å; R44-M48 PolarHBondContact O-N 2.84Å |
| 45 | L | 85.2 | Confident | 81.3 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | 178.1 | -69.4 | 173.7 | 0 | 0 | 0 | 112 | L41 H42 M47 M48 K49 | L41-L45 WeakPolarHBondContact O-CG 3.29Å; L41-L45 PolarHBondContact O-N 2.93Å; H42-L45 PolarHBondContact O-N 3.09Å; H42-L45 VanDerWaalsContact O-N 3.14Å; L45-M47 PolarHBondContact O-N 3.28Å; L45-M48 PolarHBondContact O-N 2.86Å; L45-K49 WeakPolarHBondContact O-CB 3.3Å; L45-K49 PolarHBondContact O-N 3.38Å |
| 46 | S | 83 | Confident | 80.2 | Confident | 40 Ų | 40 | 102.1 Ų | 102.1 | 28% | 0.28 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 175.2 | -58 | 0 | 0 | 0 | 0 | 111.7 | H42 K49 I50 | H42-S46 PolarHBondContact CE1-OG 2.92Å; H42-S46 VanDerWaalsContact CE1-OG 3.23Å; H42-S46 PolarHBondContact O-N 3.46Å; H42-S46 PolarHBondContact O-OG 3.23Å; H42-S46 VanDerWaalsContact O-OG 3.05Å; S46-K49 PolarHBondContact O-N 3.18Å; S46-I50 WeakPolarHBondContact O-CB 3.37Å; S46-I50 WeakPolarHBondContact O-CD1 3.41Å; S46-I50 VanDerWaalsContact O-CG1 3.23Å; S46-I50 WeakPolarHBondContact O-CG1 3.33Å; S46-I50 PolarHBondContact O-N 3.29Å |
| 47 | M | 84.5 | Confident | 78.9 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 175.1 | -75.4 | -171.9 | -59.5 | 0 | 0 | 111.9 | N43 R44 L45 K49 I50 Q51 | N43-M47 WeakPolarHBondContact O-CB 3.31Å; N43-M47 WeakPolarHBondContact O-CG 3.39Å; N43-M47 PolarHBondContact O-N 3.41Å; R44-M47 HydrophobicContact CG-CE 4.46Å; R44-M47 PolarHBondContact O-N 2.89Å; L45-M47 PolarHBondContact O-N 3.28Å; M47-K49 VanDerWaalsContact C-N 3.31Å; M47-K49 PolarHBondContact O-N 3.46Å; M47-I50 PolarHBondContact O-N 3.29Å; M47-Q51 WeakPolarHBondContact O-CB 3.43Å; M47-Q51 VanDerWaalsContact O-CG 3.31Å; M47-Q51 WeakPolarHBondContact O-CG 3.36Å; M47-Q51 PolarHBondContact O-N 3.37Å |
| 48 | M | 80.9 | Confident | 77.6 | Confident | 120 Ų | 120 | 105.6 Ų | 105.6 | 59% | 0.591 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 175.6 | -71.5 | 176.2 | -176.1 | 0 | 0 | 111.5 | R44 L45 Q51 S52 | R44-M48 WeakPolarHBondContact O-CG 3.41Å; R44-M48 PolarHBondContact O-N 2.84Å; L45-M48 PolarHBondContact O-N 2.86Å; M48-Q51 PolarHBondContact O-N 2.9Å; M48-S52 WeakPolarHBondContact O-CB 3.34Å; M48-S52 PolarHBondContact O-N 3Å |
| 49 | K | 81.2 | Confident | 76.1 | Confident | 138 Ų | 138 | 107.3 Ų | 107.3 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -48.3 | 175.7 | -174 | 178.5 | 178.6 | -178.1 | 0 | 111.6 | L45 S46 M47 Q51 S52 D53 | L45-K49 WeakPolarHBondContact O-CB 3.3Å; L45-K49 PolarHBondContact O-N 3.38Å; S46-K49 PolarHBondContact O-N 3.18Å; M47-K49 VanDerWaalsContact C-N 3.31Å; M47-K49 PolarHBondContact O-N 3.46Å; K49-Q51 VanDerWaalsContact C-N 3.27Å; K49-Q51 PolarHBondContact O-N 3.03Å; K49-S52 WeakPolarHBondContact O-CB 3.44Å; K49-S52 PolarHBondContact O-N 3.42Å; K49-S52 VanDerWaalsContact O-N 3.15Å; K49-D53 WeakPolarHBondContact O-CB 3.46Å; K49-D53 VanDerWaalsContact O-CG 3.26Å; K49-D53 PolarHBondContact O-N 3.24Å |
| 50 | I | 78.1 | Confident | 74.3 | Confident | 86 Ų | 86 | 109 Ų | 109 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 176.6 | -68.9 | 163.4 | 0 | 0 | 0 | 110.8 | S46 M47 D53 R54 | S46-I50 WeakPolarHBondContact O-CB 3.37Å; S46-I50 WeakPolarHBondContact O-CD1 3.41Å; S46-I50 VanDerWaalsContact O-CG1 3.23Å; S46-I50 WeakPolarHBondContact O-CG1 3.33Å; S46-I50 PolarHBondContact O-N 3.29Å; M47-I50 PolarHBondContact O-N 3.29Å; I50-D53 PolarHBondContact O-N 2.85Å; I50-R54 HydrophobicContact CG2-CG 4.47Å; I50-R54 WeakPolarHBondContact O-CB 3.42Å; I50-R54 VanDerWaalsContact O-CG 3.24Å; I50-R54 WeakPolarHBondContact O-CG 3.34Å; I50-R54 PolarHBondContact O-N 2.94Å |
| 51 | Q | 76.8 | Confident | 72.5 | Confident | 126 Ų | 126 | 107.2 Ų | 107.2 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.2 | -45.2 | 175.4 | -74.2 | 174.9 | -13.5 | 0 | 0 | 111.7 | M47 M48 K49 R54 V55 | M47-Q51 WeakPolarHBondContact O-CB 3.43Å; M47-Q51 VanDerWaalsContact O-CG 3.31Å; M47-Q51 WeakPolarHBondContact O-CG 3.36Å; M47-Q51 PolarHBondContact O-N 3.37Å; M48-Q51 PolarHBondContact O-N 2.9Å; K49-Q51 VanDerWaalsContact C-N 3.27Å; K49-Q51 PolarHBondContact O-N 3.03Å; Q51-R54 PolarHBondContact O-N 3.31Å; Q51-V55 VanDerWaalsContact O-CG2 3.27Å; Q51-V55 WeakPolarHBondContact O-CG2 3.31Å; Q51-V55 PolarHBondContact O-N 2.89Å |
| 52 | S | 76.8 | Confident | 70.7 | Confident | 59 Ų | 59 | 111.3 Ų | 111.3 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60 | -45.7 | 174.6 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | M48 K49 R54 V55 N56 | M48-S52 WeakPolarHBondContact O-CB 3.34Å; M48-S52 PolarHBondContact O-N 3Å; K49-S52 WeakPolarHBondContact O-CB 3.44Å; K49-S52 PolarHBondContact O-N 3.42Å; K49-S52 VanDerWaalsContact O-N 3.15Å; S52-R54 VanDerWaalsContact C-N 3.35Å; S52-R54 PolarHBondContact O-N 3.36Å; S52-V55 PolarHBondContact O-N 3.25Å; S52-N56 WeakPolarHBondContact O-CB 3.25Å; S52-N56 VanDerWaalsContact O-CG 3.31Å; S52-N56 PolarHBondContact O-N 3.37Å; S52-N56 PolarHBondContact O-ND2 2.81Å |
| 53 | D | 77 | Confident | 69.2 | Low | 71 Ų | 71 | 112.1 Ų | 112.1 | 38% | 0.38 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.9 | -40 | 179.6 | -68.8 | -16.8 | 0 | 0 | 0 | 110.8 | K49 I50 N56 Q57 | K49-D53 WeakPolarHBondContact O-CB 3.46Å; K49-D53 VanDerWaalsContact O-CG 3.26Å; K49-D53 PolarHBondContact O-N 3.24Å; I50-D53 PolarHBondContact O-N 2.85Å; D53-N56 PolarHBondContact O-N 2.8Å; D53-Q57 WeakPolarHBondContact O-CB 3.24Å; D53-Q57 WeakPolarHBondContact O-CG 3.46Å; D53-Q57 PolarHBondContact O-N 3.07Å |
| 54 | R | 68.8 | Low | 67.7 | Low | 178 Ų | 178 | 115.4 Ų | 115.4 | 67% | 0.672 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.9 | -43.2 | 172.6 | -76.4 | 177.4 | 178.4 | -170.5 | -0.1 | 112.3 | I50 Q51 S52 N56 Q57 S58 | I50-R54 HydrophobicContact CG2-CG 4.47Å; I50-R54 WeakPolarHBondContact O-CB 3.42Å; I50-R54 VanDerWaalsContact O-CG 3.24Å; I50-R54 WeakPolarHBondContact O-CG 3.34Å; I50-R54 PolarHBondContact O-N 2.94Å; Q51-R54 PolarHBondContact O-N 3.31Å; S52-R54 VanDerWaalsContact C-N 3.35Å; S52-R54 PolarHBondContact O-N 3.36Å; R54-N56 VanDerWaalsContact C-N 3.34Å; R54-Q57 PolarHBondContact O-N 2.79Å; R54-S58 WeakPolarHBondContact O-CB 3.19Å; R54-S58 PolarHBondContact O-N 3.4Å; R54-S58 PolarHBondContact O-OG 3.4Å |
| 55 | V | 63.8 | Low | 65.8 | Low | 73 Ų | 73 | 116 Ų | 116 | 44% | 0.442 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64 | -40.7 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | Q51 S52 S58 K59 | Q51-V55 VanDerWaalsContact O-CG2 3.27Å; Q51-V55 WeakPolarHBondContact O-CG2 3.31Å; Q51-V55 PolarHBondContact O-N 2.89Å; S52-V55 PolarHBondContact O-N 3.25Å; V55-S58 WeakPolarHBondContact CA-OG 3.11Å; V55-S58 PolarHBondContact O-N 2.84Å; V55-S58 PolarHBondContact O-OG 3.01Å; V55-K59 WeakPolarHBondContact O-CG 3.37Å; V55-K59 PolarHBondContact O-N 3.44Å |
| 56 | N | 59.4 | Low | 64.4 | Low | 91 Ų | 91 | 119 Ų | 119 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.5 | -35.6 | 178.4 | -70.7 | -22 | 0 | 0 | 0 | 112.7 | S52 D53 R54 K59 L60 | S52-N56 WeakPolarHBondContact O-CB 3.25Å; S52-N56 VanDerWaalsContact O-CG 3.31Å; S52-N56 PolarHBondContact O-N 3.37Å; S52-N56 PolarHBondContact O-ND2 2.81Å; D53-N56 PolarHBondContact O-N 2.8Å; R54-N56 VanDerWaalsContact C-N 3.34Å; N56-K59 PolarHBondContact O-N 2.93Å; N56-K59 VanDerWaalsContact O-N 3.13Å; N56-L60 PolarHBondContact O-N 3.35Å |
| 57 | Q | 55.5 | Low | 63.2 | Low | 144 Ų | 144 | 126.1 Ų | 126.1 | 67% | 0.673 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.5 | -37.7 | 172.9 | -77.4 | -177.5 | -6.9 | 0 | 0 | 112 | D53 R54 K59 L60 | D53-Q57 WeakPolarHBondContact O-CB 3.24Å; D53-Q57 WeakPolarHBondContact O-CG 3.46Å; D53-Q57 PolarHBondContact O-N 3.07Å; R54-Q57 PolarHBondContact O-N 2.79Å; Q57-K59 PolarHBondContact O-N 3.09Å; Q57-K59 VanDerWaalsContact O-N 3.14Å; Q57-L60 PolarHBondContact O-N 3.04Å |
| 58 | S | 57.2 | Low | 62.3 | Low | 97 Ų | 97 | 126.3 Ų | 126.3 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -9.3 | 171.9 | 68.2 | 0 | 0 | 0 | 0 | 113.9 | R54 V55 | R54-S58 WeakPolarHBondContact O-CB 3.19Å; R54-S58 PolarHBondContact O-N 3.4Å; R54-S58 PolarHBondContact O-OG 3.4Å; V55-S58 WeakPolarHBondContact CA-OG 3.11Å; V55-S58 PolarHBondContact O-N 2.84Å; V55-S58 PolarHBondContact O-OG 3.01Å |
| 59 | K | 53.6 | Low | 61.4 | Low | 152 Ų | 152 | 125.6 Ų | 125.6 | 66% | 0.661 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 9.3 | 177.6 | -73 | -178.4 | 179.6 | -175 | 0 | 113.9 | V55 N56 Q57 P61 | V55-K59 WeakPolarHBondContact O-CG 3.37Å; V55-K59 PolarHBondContact O-N 3.44Å; N56-K59 PolarHBondContact O-N 2.93Å; N56-K59 VanDerWaalsContact O-N 3.13Å; Q57-K59 PolarHBondContact O-N 3.09Å; Q57-K59 VanDerWaalsContact O-N 3.14Å; K59-P61 WeakPolarHBondContact O-CD 3.48Å |
| 60 | L | 48.5 | Very low | 60.5 | Low | 139 Ų | 139 | 124.5 Ų | 124.5 | 73% | 0.728 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -71.6 | 118 | 167.3 | -110.3 | 141.7 | 0 | 0 | 0 | 108.4 | N56 Q57 | N56-L60 PolarHBondContact O-N 3.35Å; Q57-L60 PolarHBondContact O-N 3.04Å |
| 61 | P | 49.2 | Very low | 59.8 | Low | 94 Ų | 94 | 126.4 Ų | 126.4 | 61% | 0.61 | 65% | 0.654 | S | S | * | * | trans | -76.6 | 130.9 | -170.4 | 30.6 | -33.3 | 0 | 0 | 0 | 110 | K59 I63 | K59-P61 WeakPolarHBondContact O-CD 3.48Å; P61-I63 HydrophobicContact CB-CG1 4.19Å; P61-I63 HydrophobicContact CG-CD1 4.42Å; P61-I63 HydrophobicContact CG-CG1 4.25Å; P61-I63 PolarHBondContact O-N 3.47Å | ||
| 62 | E | 48.6 | Very low | 59.2 | Low | 170 Ų | 170 | 128.9 Ų | 128.9 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | trans | -65.7 | 78.4 | 155.5 | -112.5 | -178.5 | 167.1 | 0 | 0 | 107.6 | M64 | E62-M64 HydrophobicContact CB-CG 4.25Å; E62-M64 HydrophobicContact CG-CG 3.86Å; E62-M64 PolarHBondContact O-N 2.9Å | ||
| 63 | I | 53.5 | Low | 58.4 | Low | 126 Ų | 126 | 138.6 Ų | 138.6 | 65% | 0.646 | 70% | 0.704 | S | S | * | * | trans | -76.3 | 76.9 | 149.5 | -56.1 | 176.3 | 0 | 0 | 0 | 103.8 | P61 H65 | P61-I63 HydrophobicContact CB-CG1 4.19Å; P61-I63 HydrophobicContact CG-CD1 4.42Å; P61-I63 HydrophobicContact CG-CG1 4.25Å; P61-I63 PolarHBondContact O-N 3.47Å; I63-H65 PolarHBondContact O-CD2 3.43Å; I63-H65 PolarHBondContact O-N 2.72Å | ||
| 64 | M | 52.8 | Low | 57.5 | Low | 144 Ų | 144 | 142 Ų | 142 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | trans | -59.5 | 109.5 | 162.1 | -71.9 | -172.5 | 82.4 | 0 | 0 | 105.2 | E62 E66 | E62-M64 HydrophobicContact CB-CG 4.25Å; E62-M64 HydrophobicContact CG-CG 3.86Å; E62-M64 PolarHBondContact O-N 2.9Å; M64-E66 PolarHBondContact O-N 3.37Å | ||
| 65 | H | 48.1 | Very low | 56.9 | Low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | -62.1 | 93.7 | 166.2 | -72.6 | -112.8 | 0 | 0 | 0 | 106.3 | I63 K67 | I63-H65 PolarHBondContact O-CD2 3.43Å; I63-H65 PolarHBondContact O-N 2.72Å; H65-K67 PolarHBondContact O-N 3.34Å | ||
| 66 | E | 56.3 | Low | 56.5 | Low | 178 Ų | 178 | 143.8 Ų | 143.8 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | -68.2 | 93.5 | 166.3 | -160.9 | 169.2 | -159.6 | 0 | 0 | 106.1 | M64 V68 | M64-E66 PolarHBondContact O-N 3.37Å; E66-V68 PolarHBondContact O-N 3.4Å | ||
| 67 | K | 56.2 | Low | 56.3 | Low | 190 Ų | 190 | 146.9 Ų | 146.9 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -65.2 | 91.6 | 169 | -69.3 | -179.5 | -179.7 | -179.8 | 0 | 106.1 | H65 P69 | H65-K67 PolarHBondContact O-N 3.34Å; K67-P69 WeakPolarHBondContact O-CD 3.23Å | ||
| 68 | V | 66.6 | Low | 56.4 | Low | 114 Ų | 114 | 147.1 Ų | 147.1 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -61.1 | 116 | 167.7 | 180 | 0 | 0 | 0 | 0 | 106.9 | E66 V70 | E66-V68 PolarHBondContact O-N 3.4Å; V68-V70 PolarHBondContact O-N 3.14Å | ||
| 69 | P | 61.1 | Low | 56.3 | Low | 104 Ų | 104 | 150.4 Ų | 150.4 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -69.6 | 117.2 | 173.7 | 27.9 | -30.2 | 0 | 0 | 0 | 108.1 | K67 T71 | K67-P69 WeakPolarHBondContact O-CD 3.23Å; P69-T71 PolarHBondContact O-N 2.88Å | ||
| 70 | V | 62.3 | Low | 56.5 | Low | 115 Ų | 115 | 150.3 Ų | 150.3 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | trans | -71.4 | 99.4 | 171.9 | -175.1 | 0 | 0 | 0 | 0 | 107.5 | V68 H72 | V68-V70 PolarHBondContact O-N 3.14Å; V70-H72 PolarHBondContact O-N 3.5Å | ||
| 71 | T | 64.1 | Low | 57.1 | Low | 126 Ų | 126 | 151.2 Ų | 151.2 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -79.9 | 107.5 | 165.3 | 45.4 | 0 | 0 | 0 | 0 | 108.2 | P69 | P69-T71 PolarHBondContact O-N 2.88Š| ||
| 72 | H | 64.1 | Low | 57.8 | Low | 178 Ų | 178 | 155.9 Ų | 155.9 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -89.1 | 104.6 | 159.3 | -81.9 | -75.7 | 0 | 0 | 0 | 107.4 | V70 | V70-H72 PolarHBondContact O-N 3.5Š| ||
| 73 | E | 60 | Low | 58.6 | Low | 263 Ų | 263 | 154.6 Ų | 154.6 | 100% | 1.229 | 79% | 0.787 | S | S | * | * | trans | -94.2 | 0 | 152.7 | -73.4 | -173.4 | 148.7 | 0 | 0 | 109 |
Retrieved 73 of 73 residues in 16.1 ms
(Link to these results)