| 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 | 49.5 | Very low | 60.6 | Low | 248 Ų | 248 | 118.4 Ų | 118.4 | 100% | 1.222 | 65% | 0.646 | S | S | * | * | 0 | 85 | 0 | -68.8 | -135.1 | 167.5 | 0 | 0 | 107.7 | |||||
| 2 | S | 50.1 | Low | 60.6 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | trans | -99.1 | 115.7 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 105.5 | D6 | S2-D6 PolarHBondContact OG-OD2 2.85Å; S2-D6 VanDerWaalsContact OG-OD2 3.04Å | ||
| 3 | S | 61.9 | Low | 60.6 | Low | 96 Ų | 96 | 120.2 Ų | 120.2 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | trans | -157.6 | 8.1 | -170 | -161.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 4 | K | 59.8 | Low | 60.6 | Low | 176 Ų | 176 | 117.3 Ų | 117.3 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -133.6 | -34.2 | 170.8 | -79.1 | -177.2 | 175.1 | 163.6 | 0 | 113.6 | ||
| 5 | D | 63.7 | Low | 60.2 | Low | 122 Ų | 122 | 120.3 Ų | 120.3 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.7 | -30.3 | 178.5 | -62.5 | -46.4 | 0 | 0 | 0 | 113.6 | R9 | D5-R9 PolarHBondContact O-N 2.78Å; D5-R9 VanDerWaalsContact O-N 3.15Å |
| 6 | D | 64.5 | Low | 60 | Low | 84 Ų | 84 | 120 Ų | 120 | 45% | 0.449 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.4 | -43.1 | 175.7 | -92.9 | -35.6 | 0 | 0 | 0 | 111.7 | S2 V8 R9 T10 | S2-D6 PolarHBondContact OG-OD2 2.85Å; S2-D6 VanDerWaalsContact OG-OD2 3.04Å; D6-V8 VanDerWaalsContact C-N 3.3Å; D6-V8 PolarHBondContact O-N 2.71Å; D6-R9 PolarHBondContact O-N 3.37Å; D6-T10 PolarHBondContact O-N 3.1Å; D6-T10 PolarHBondContact O-OG1 2.77Å |
| 7 | V | 62.6 | Low | 59.8 | Low | 101 Ų | 101 | 123.5 Ų | 123.5 | 61% | 0.612 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.3 | -36.5 | -177.7 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | A11 | V7-A11 WeakPolarHBondContact O-CB 2.99Å; V7-A11 PolarHBondContact O-N 3.24Å; V7-A11 VanDerWaalsContact O-N 3.08Å |
| 8 | V | 64.2 | Low | 59.4 | Low | 89 Ų | 89 | 122.6 Ų | 122.6 | 54% | 0.539 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -72.8 | -37.2 | 178 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | D6 A11 L12 | D6-V8 VanDerWaalsContact C-N 3.3Å; D6-V8 PolarHBondContact O-N 2.71Å; V8-A11 PolarHBondContact O-N 3Å; V8-L12 HydrophobicContact CG1-CD1 4.25Å; V8-L12 PolarHBondContact O-N 2.91Å; V8-L12 VanDerWaalsContact O-N 3.16Å |
| 9 | R | 64.7 | Low | 58.9 | Low | 155 Ų | 155 | 126.6 Ų | 126.6 | 59% | 0.585 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.1 | -45.4 | 173.8 | -74.1 | -176.2 | -164.2 | 159.8 | 5.7 | 111.9 | D5 D6 A11 L12 E13 | D5-R9 PolarHBondContact O-N 2.78Å; D5-R9 VanDerWaalsContact O-N 3.15Å; D6-R9 PolarHBondContact O-N 3.37Å; R9-A11 VanDerWaalsContact C-N 3.28Å; R9-A11 PolarHBondContact O-N 2.82Å; R9-L12 PolarHBondContact O-N 3Å; R9-L12 VanDerWaalsContact O-N 3.13Å; R9-E13 WeakPolarHBondContact O-CB 3.27Å; R9-E13 WeakPolarHBondContact O-CG 3.23Å; R9-E13 PolarHBondContact O-N 3.18Å |
| 10 | T | 63.7 | Low | 58.7 | Low | 89 Ų | 89 | 125.2 Ų | 125.2 | 55% | 0.546 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -63.6 | -34.7 | 178.3 | -39.6 | 0 | 0 | 0 | 0 | 111.9 | D6 S14 | D6-T10 PolarHBondContact O-N 3.1Å; D6-T10 PolarHBondContact O-OG1 2.77Å; T10-S14 WeakPolarHBondContact O-CB 3.4Å; T10-S14 PolarHBondContact O-N 3.31Å |
| 11 | A | 62.3 | Low | 58.5 | Low | 52 Ų | 52 | 124.1 Ų | 124.1 | 43% | 0.43 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -66.6 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | V7 V8 R9 S14 H15 | V7-A11 WeakPolarHBondContact O-CB 2.99Å; V7-A11 PolarHBondContact O-N 3.24Å; V7-A11 VanDerWaalsContact O-N 3.08Å; V8-A11 PolarHBondContact O-N 3Å; R9-A11 VanDerWaalsContact C-N 3.28Å; R9-A11 PolarHBondContact O-N 2.82Å; A11-S14 PolarHBondContact O-OG 2.84Å; A11-H15 PolarHBondContact O-CD2 3.11Å; A11-H15 VanDerWaalsContact O-CD2 3.32Å |
| 12 | L | 59.7 | Low | 58.7 | Low | 124 Ų | 124 | 121.1 Ų | 121.1 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -76.8 | -34.6 | 178.7 | -75.9 | 167.6 | 0 | 0 | 0 | 113.3 | V8 R9 S14 | V8-L12 HydrophobicContact CG1-CD1 4.25Å; V8-L12 PolarHBondContact O-N 2.91Å; V8-L12 VanDerWaalsContact O-N 3.16Å; R9-L12 PolarHBondContact O-N 3Å; R9-L12 VanDerWaalsContact O-N 3.13Å; L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 2.74Å |
| 13 | E | 60.9 | Low | 58.9 | Low | 136 Ų | 136 | 125 Ų | 125 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.1 | -18.8 | 176.6 | -73 | 168.9 | 174.3 | 0 | 0 | 112.5 | R9 H15 T16 | R9-E13 WeakPolarHBondContact O-CB 3.27Å; R9-E13 WeakPolarHBondContact O-CG 3.23Å; R9-E13 PolarHBondContact O-N 3.18Å; E13-H15 VanDerWaalsContact C-N 3.3Å; E13-H15 PolarHBondContact O-N 2.88Å; E13-T16 PolarHBondContact O-OG1 2.98Å |
| 14 | S | 60.4 | Low | 58.6 | Low | 80 Ų | 80 | 129.2 Ų | 129.2 | 56% | 0.559 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -8.4 | 177.3 | 76.5 | 0 | 0 | 0 | 0 | 115.3 | T10 A11 L12 | T10-S14 WeakPolarHBondContact O-CB 3.4Å; T10-S14 PolarHBondContact O-N 3.31Å; A11-S14 PolarHBondContact O-OG 2.84Å; L12-S14 VanDerWaalsContact C-N 3.26Å; L12-S14 PolarHBondContact O-N 2.74Å |
| 15 | H | 55.4 | Low | 58.5 | Low | 162 Ų | 162 | 126.4 Ų | 126.4 | 75% | 0.75 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 6 | -177.6 | -73 | -60.2 | 0 | 0 | 0 | 114.4 | A11 E13 | A11-H15 PolarHBondContact O-CD2 3.11Å; A11-H15 VanDerWaalsContact O-CD2 3.32Å; E13-H15 VanDerWaalsContact C-N 3.3Å; E13-H15 PolarHBondContact O-N 2.88Å |
| 16 | T | 56.1 | Low | 58.4 | Low | 116 Ų | 116 | 125 Ų | 125 | 71% | 0.712 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -103.4 | 3.9 | -179 | 50.2 | 0 | 0 | 0 | 0 | 114.8 | E13 | E13-T16 PolarHBondContact O-OG1 2.98Š|
| 17 | E | 57.3 | Low | 58 | Low | 179 Ų | 179 | 126.4 Ų | 126.4 | 84% | 0.836 | 70% | 0.7 | S | S | * | * | trans | -113.8 | 66.2 | 174.6 | -73.1 | -173.4 | 159.1 | 0 | 0 | 111.4 | ||||
| 18 | S | 52.6 | Low | 57.6 | Low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | -158.9 | 66.6 | 155.3 | -82.3 | 0 | 0 | 0 | 0 | 108.6 | S20 | S18-S20 PolarHBondContact O-N 2.69Š| ||
| 19 | E | 49.1 | Very low | 57.4 | Low | 198 Ų | 198 | 126.6 Ų | 126.6 | 93% | 0.925 | 70% | 0.699 | S | S | * | * | trans | -68.4 | 83.2 | 154.1 | -170.1 | 177.7 | 168.3 | 0 | 0 | 106.8 | ||||
| 20 | S | 54.9 | Low | 56.8 | Low | 98 Ų | 98 | 124.6 Ų | 124.6 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | trans | -132.7 | 98.4 | 171 | -86.2 | 0 | 0 | 0 | 0 | 108.1 | S18 E22 | S18-S20 PolarHBondContact O-N 2.69Å; S20-E22 VanDerWaalsContact C-N 3.35Å; S20-E22 PolarHBondContact O-N 2.81Å | ||
| 21 | A | 55.5 | Low | 56.5 | Low | 104 Ų | 104 | 124.6 Ų | 124.6 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | trans | -8.4 | 75.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q23 | A21-Q23 VanDerWaalsContact C-N 3.3Å; A21-Q23 PolarHBondContact O-N 2.57Å | ||
| 22 | E | 52.3 | Low | 56.2 | Low | 184 Ų | 184 | 128.6 Ų | 128.6 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | trans | -80.5 | 95.8 | 147.9 | -66 | -154.2 | 153.3 | 0 | 0 | 105.9 | S20 E24 | S20-E22 VanDerWaalsContact C-N 3.35Å; S20-E22 PolarHBondContact O-N 2.81Å; E22-E24 PolarHBondContact O-N 3.48Å | ||
| 23 | Q | 55.2 | Low | 56.3 | Low | 171 Ų | 171 | 127.6 Ų | 127.6 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | trans | -47.1 | 105.1 | 165.7 | -139.1 | 170.7 | 23.4 | 0 | 0 | 106.8 | A21 T25 | A21-Q23 VanDerWaalsContact C-N 3.3Å; A21-Q23 PolarHBondContact O-N 2.57Å; Q23-T25 PolarHBondContact O-N 3.33Å | ||
| 24 | E | 55.9 | Low | 56.2 | Low | 185 Ų | 185 | 123.8 Ų | 123.8 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | trans | -62.8 | 88.5 | 167.2 | -76.2 | -165.6 | 151.5 | 0 | 0 | 106.7 | E22 S26 | E22-E24 PolarHBondContact O-N 3.48Å; E24-S26 PolarHBondContact O-N 3.09Å | ||
| 25 | T | 57.3 | Low | 56.1 | Low | 117 Ų | 117 | 124.1 Ų | 124.1 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | trans | -65.5 | 89.2 | 164.4 | 53.6 | 0 | 0 | 0 | 0 | 105.9 | Q23 | Q23-T25 PolarHBondContact O-N 3.33Š| ||
| 26 | S | 61.4 | Low | 56.2 | Low | 93 Ų | 93 | 119.5 Ų | 119.5 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | trans | -47.8 | 126.7 | 161 | -68 | 0 | 0 | 0 | 0 | 106.6 | E24 S28 | E24-S26 PolarHBondContact O-N 3.09Å; S26-S28 PolarHBondContact O-N 3.06Å | ||
| 27 | P | 56 | Low | 56.1 | Low | 113 Ų | 113 | 117.6 Ų | 117.6 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | trans | -56.7 | 110.2 | 174.6 | 21.7 | -30.2 | 0 | 0 | 0 | 107.1 | I29 | P27-I29 PolarHBondContact O-N 3.18Š| ||
| 28 | S | 55.1 | Low | 56 | Low | 69 Ų | 69 | 117.1 Ų | 117.1 | 48% | 0.483 | 69% | 0.687 | S | S | . | * | trans | -57.8 | 133.1 | -179.3 | -149.5 | 0 | 0 | 0 | 0 | 107.2 | S26 D30 S31 | S26-S28 PolarHBondContact O-N 3.06Å; S28-D30 PolarHBondContact O-N 2.92Å; S28-D30 PolarHBondContact OG-OD2 2.65Å; S28-S31 WeakPolarHBondContact O-CB 3.46Å; S28-S31 PolarHBondContact O-N 2.92Å; S28-S31 PolarHBondContact O-OG 3.42Å | ||
| 29 | I | 58.5 | Low | 56.1 | Low | 125 Ų | 125 | 118.5 Ų | 118.5 | 64% | 0.641 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -52.5 | -26.1 | 176.2 | -74.4 | 166.8 | 0 | 0 | 0 | 110.8 | P27 S31 L32 L33 | P27-I29 PolarHBondContact O-N 3.18Å; I29-S31 PolarHBondContact O-N 3.27Å; I29-S31 VanDerWaalsContact O-N 3.11Å; I29-L32 WeakPolarHBondContact O-CA 3.42Å; I29-L32 WeakPolarHBondContact O-CB 3.28Å; I29-L32 PolarHBondContact O-N 3.32Å; I29-L33 PolarHBondContact O-N 2.88Å |
| 30 | D | 54 | Low | 56.5 | Low | 114 Ų | 114 | 117.6 Ų | 117.6 | 61% | 0.61 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -57.5 | -22.3 | 174.3 | -51 | -49.9 | 0 | 0 | 0 | 114.4 | S28 | S28-D30 PolarHBondContact O-N 2.92Å; S28-D30 PolarHBondContact OG-OD2 2.65Å |
| 31 | S | 57.2 | Low | 56.6 | Low | 89 Ų | 89 | 119 Ų | 119 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -80.7 | -16.2 | 173.2 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | S28 I29 | S28-S31 WeakPolarHBondContact O-CB 3.46Å; S28-S31 PolarHBondContact O-N 2.92Å; S28-S31 PolarHBondContact O-OG 3.42Å; I29-S31 PolarHBondContact O-N 3.27Å; I29-S31 VanDerWaalsContact O-N 3.11Å |
| 32 | L | 55.7 | Low | 56.6 | Low | 135 Ų | 135 | 116.7 Ų | 116.7 | 71% | 0.707 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -17.4 | 175.3 | -63.5 | 170.6 | 0 | 0 | 0 | 112.2 | I29 P34 | I29-L32 WeakPolarHBondContact O-CA 3.42Å; I29-L32 WeakPolarHBondContact O-CB 3.28Å; I29-L32 PolarHBondContact O-N 3.32Å; L32-P34 VanDerWaalsContact O-CD 3.27Å; L32-P34 WeakPolarHBondContact O-CD 3.36Å |
| 33 | L | 60.7 | Low | 57 | Low | 104 Ų | 104 | 118 Ų | 118 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -82 | 110.5 | 169.6 | -64.3 | 175 | 0 | 0 | 0 | 106.7 | I29 G35 | I29-L33 PolarHBondContact O-N 2.88Å; L33-G35 PolarHBondContact O-N 2.89Å |
| 34 | P | 60 | Low | 57.9 | Low | 56 Ų | 56 | 113.9 Ų | 113.9 | 36% | 0.364 | 63% | 0.632 | S | S | . | * | trans | -51.7 | 136.9 | 168.3 | 21.8 | -30 | 0 | 0 | 0 | 106.9 | L32 L36 | L32-P34 VanDerWaalsContact O-CD 3.27Å; L32-P34 WeakPolarHBondContact O-CD 3.36Å; P34-L36 HydrophobicContact CG-CD1 4.28Å; P34-L36 HydrophobicContact CG-CG 4.5Å; P34-L36 VanDerWaalsContact O-CG 3.28Å; P34-L36 WeakPolarHBondContact O-CG 3.4Å; P34-L36 PolarHBondContact O-N 3.3Å | ||
| 35 | G | 58.4 | Low | 59.2 | Low | 87 Ų | 87 | 110.7 Ų | 110.7 | 90% | 0.897 | 62% | 0.617 | S | S | * | * | trans | -58.4 | 69.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L33 | L33-G35 PolarHBondContact O-N 2.89Š| ||
| 36 | L | 56 | Low | 60.5 | Low | 64 Ų | 64 | 111.5 Ų | 111.5 | 34% | 0.335 | 61% | 0.613 | S | S | . | * | trans | -69.8 | 128.8 | -177 | -79 | 153.3 | 0 | 0 | 0 | 105.5 | P34 I38 L51 | P34-L36 HydrophobicContact CG-CD1 4.28Å; P34-L36 HydrophobicContact CG-CG 4.5Å; P34-L36 VanDerWaalsContact O-CG 3.28Å; P34-L36 WeakPolarHBondContact O-CG 3.4Å; P34-L36 PolarHBondContact O-N 3.3Å; L36-I38 VanDerWaalsContact C-N 3.3Å; L36-I38 PolarHBondContact O-N 3.15Å; L36-L51 HydrophobicContact CD1-CD1 3.37Å; L36-L51 HydrophobicContact CD1-CD2 3.87Å; L36-L51 HydrophobicContact CD1-CG 4.27Å; L36-L51 HydrophobicContact CD2-CD1 3.59Å; L36-L51 HydrophobicContact CD2-CD2 4.38Å; L36-L51 HydrophobicContact CG-CD1 4.08Å | ||
| 37 | P | 55.8 | Low | 61.3 | Low | 77 Ų | 77 | 109.2 Ų | 109.2 | 50% | 0.5 | 60% | 0.596 | S | S | . | * | trans | -58 | 104.9 | 170.3 | 24.9 | -30.5 | 0 | 0 | 0 | 105.6 | Q39 L42 | P37-Q39 HydrophobicContact CB-CB 4.17Å; P37-Q39 HydrophobicContact CB-CG 3.9Å; P37-Q39 PolarHBondContact O-N 2.87Å; P37-L42 WeakPolarHBondContact O-CD1 3.21Å | ||
| 38 | I | 54.7 | Low | 62.6 | Low | 169 Ų | 169 | 106.8 Ų | 106.8 | 87% | 0.867 | 58% | 0.577 | S | S | * | * | trans | -69.9 | 67.1 | 165.3 | -51.9 | 172.1 | 0 | 0 | 0 | 104.6 | L36 | L36-I38 VanDerWaalsContact C-N 3.3Å; L36-I38 PolarHBondContact O-N 3.15Å | ||
| 39 | Q | 54.5 | Low | 64.1 | Low | 136 Ų | 136 | 111.2 Ų | 111.2 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | trans | -113.8 | 141.3 | 177 | -72.5 | -172.6 | -20.2 | 0 | 0 | 105.4 | P37 D41 L42 | P37-Q39 HydrophobicContact CB-CB 4.17Å; P37-Q39 HydrophobicContact CB-CG 3.9Å; P37-Q39 PolarHBondContact O-N 2.87Å; Q39-D41 PolarHBondContact O-N 2.88Å; Q39-L42 PolarHBondContact O-N 2.9Å | ||
| 40 | E | 56.4 | Low | 65.4 | Low | 179 Ų | 179 | 109.1 Ų | 109.1 | 84% | 0.836 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -55.3 | -8.6 | -164.4 | -67.2 | 158.1 | 154.1 | 0 | 0 | 114.9 | L42 | E40-L42 VanDerWaalsContact C-N 3.26Å; E40-L42 PolarHBondContact O-N 3.41Å |
| 41 | D | 57.5 | Low | 66.7 | Low | 129 Ų | 129 | 105.2 Ų | 105.2 | 69% | 0.69 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -70.8 | -8.2 | 169.6 | -77.4 | -18.9 | 0 | 0 | 0 | 115.1 | Q39 Y43 N44 S47 | Q39-D41 PolarHBondContact O-N 2.88Å; D41-Y43 PolarHBondContact O-N 3.17Å; D41-N44 PolarHBondContact O-N 3.26Å; D41-S47 WeakPolarHBondContact O-CB 3.47Å; D41-S47 PolarHBondContact O-OG 3.28Å; D41-S47 VanDerWaalsContact O-OG 3.1Å |
| 42 | L | 56.2 | Low | 68.1 | Low | 55 Ų | 55 | 108.2 Ų | 108.2 | 29% | 0.288 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -66.9 | -9 | 174.9 | -113 | 95.7 | 0 | 0 | 0 | 114.1 | P37 Q39 E40 L48 L51 | P37-L42 WeakPolarHBondContact O-CD1 3.21Å; Q39-L42 PolarHBondContact O-N 2.9Å; E40-L42 VanDerWaalsContact C-N 3.26Å; E40-L42 PolarHBondContact O-N 3.41Å; L42-L48 VanDerWaalsContact O-CD2 3.27Å; L42-L48 WeakPolarHBondContact O-CD2 3.43Å; L42-L48 VanDerWaalsContact O-CG 3.23Å; L42-L48 WeakPolarHBondContact O-CG 3.27Å; L42-L51 HydrophobicContact CD2-CD2 4.21Å |
| 43 | Y | 60.1 | Low | 69.6 | Low | 210 Ų | 210 | 104 Ų | 104 | 82% | 0.824 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -90.7 | -3.5 | 177.4 | -66.6 | -74.7 | 0 | 0 | 0 | 114 | D41 | D41-Y43 PolarHBondContact O-N 3.17Š|
| 44 | N | 75.5 | Confident | 70.8 | Confident | 85 Ų | 85 | 101.5 Ų | 101.5 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -74.9 | 131.5 | 169.7 | -177.6 | 15.1 | 0 | 0 | 0 | 110 | D41 E46 S47 L48 | D41-N44 PolarHBondContact O-N 3.26Å; N44-E46 PolarHBondContact O-N 3.4Å; N44-E46 PolarHBondContact OD1-N 3.21Å; N44-S47 WeakPolarHBondContact O-CB 3.39Å; N44-S47 PolarHBondContact O-N 3.41Å; N44-L48 PolarHBondContact O-N 2.91Å; N44-L48 VanDerWaalsContact O-N 3.09Å |
| 45 | E | 81.5 | Confident | 72.1 | Confident | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55 | -36.6 | 179.6 | -167.9 | -173.2 | 157.8 | 0 | 0 | 111.9 | L48 R49 | E45-L48 PolarHBondContact O-N 3.44Å; E45-R49 WeakPolarHBondContact O-CB 3.47Å; E45-R49 WeakPolarHBondContact O-CG 3.49Å; E45-R49 PolarHBondContact O-N 3.34Å; E45-R49 IonicContact OE1-CZ 2.65Å; E45-R49 IonicContact OE1-NE 2.66Å; E45-R49 PolarHBondContact OE1-NE 2.93Å; E45-R49 IonicContact OE1-NH2 2.92Å; E45-R49 PolarHBondContact OE1-NH2 2.94Å |
| 46 | E | 84.5 | Confident | 73.7 | Confident | 135 Ų | 135 | 98.2 Ų | 98.2 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68 | -40.1 | 177.9 | -172.7 | 171.1 | -164.6 | 0 | 0 | 112.8 | N44 R49 T50 | N44-E46 PolarHBondContact O-N 3.4Å; N44-E46 PolarHBondContact OD1-N 3.21Å; E46-R49 PolarHBondContact O-N 3.32Å; E46-T50 WeakPolarHBondContact O-CB 3.26Å; E46-T50 PolarHBondContact O-N 3.08Å; E46-T50 PolarHBondContact O-OG1 2.91Å |
| 47 | S | 79.6 | Confident | 75.4 | Confident | 44 Ų | 44 | 102.6 Ų | 102.6 | 31% | 0.308 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | D41 N44 T50 L51 | D41-S47 WeakPolarHBondContact O-CB 3.47Å; D41-S47 PolarHBondContact O-OG 3.28Å; D41-S47 VanDerWaalsContact O-OG 3.1Å; N44-S47 WeakPolarHBondContact O-CB 3.39Å; N44-S47 PolarHBondContact O-N 3.41Å; S47-T50 PolarHBondContact O-N 3.49Å; S47-L51 WeakPolarHBondContact O-CB 3.08Å; S47-L51 PolarHBondContact O-N 2.89Å |
| 48 | L | 82.9 | Confident | 77.1 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 33% | 0.325 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.4 | -70.3 | 174.7 | 0 | 0 | 0 | 112 | L42 N44 E45 T50 L51 F52 | L42-L48 VanDerWaalsContact O-CD2 3.27Å; L42-L48 WeakPolarHBondContact O-CD2 3.43Å; L42-L48 VanDerWaalsContact O-CG 3.23Å; L42-L48 WeakPolarHBondContact O-CG 3.27Å; N44-L48 PolarHBondContact O-N 2.91Å; N44-L48 VanDerWaalsContact O-N 3.09Å; E45-L48 PolarHBondContact O-N 3.44Å; L48-T50 VanDerWaalsContact C-N 3.3Å; L48-T50 PolarHBondContact O-N 2.83Å; L48-L51 PolarHBondContact O-N 3.13Å; L48-F52 HydrophobicContact CB-CD2 4.44Å; L48-F52 HydrophobicContact CB-CE2 4.36Å; L48-F52 WeakPolarHBondContact O-CD2 3.44Å; L48-F52 PolarHBondContact O-N 3.42Å |
| 49 | R | 86.2 | Confident | 79 | Confident | 162 Ų | 162 | 100.4 Ų | 100.4 | 61% | 0.611 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.9 | -43.3 | 176.2 | -77 | 171 | 179.5 | -89.3 | 2.9 | 111.4 | E45 E46 A53 | E45-R49 WeakPolarHBondContact O-CB 3.47Å; E45-R49 WeakPolarHBondContact O-CG 3.49Å; E45-R49 PolarHBondContact O-N 3.34Å; E45-R49 IonicContact OE1-CZ 2.65Å; E45-R49 IonicContact OE1-NE 2.66Å; E45-R49 PolarHBondContact OE1-NE 2.93Å; E45-R49 IonicContact OE1-NH2 2.92Å; E45-R49 PolarHBondContact OE1-NH2 2.94Å; E46-R49 PolarHBondContact O-N 3.32Å; R49-A53 VanDerWaalsContact O-CB 3.26Å; R49-A53 WeakPolarHBondContact O-CB 3.38Å; R49-A53 PolarHBondContact O-N 3.34Å |
| 50 | T | 85.6 | Confident | 80.9 | Confident | 81 Ų | 81 | 97.6 Ų | 97.6 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | E46 S47 L48 A53 V54 | E46-T50 WeakPolarHBondContact O-CB 3.26Å; E46-T50 PolarHBondContact O-N 3.08Å; E46-T50 PolarHBondContact O-OG1 2.91Å; S47-T50 PolarHBondContact O-N 3.49Å; L48-T50 VanDerWaalsContact C-N 3.3Å; L48-T50 PolarHBondContact O-N 2.83Å; T50-A53 PolarHBondContact O-N 3.33Å; T50-V54 HydrophobicContact CG2-CG2 4.42Å; T50-V54 WeakPolarHBondContact O-CG2 3.46Å; T50-V54 PolarHBondContact O-N 3.07Å |
| 51 | L | 82.6 | Confident | 82.7 | Confident | 33 Ų | 33 | 95.2 Ų | 95.2 | 17% | 0.173 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -57.1 | -54.6 | 175.5 | 171.3 | 54.1 | 0 | 0 | 0 | 111.6 | L36 L42 S47 L48 A53 V54 T55 | L36-L51 HydrophobicContact CD1-CD1 3.37Å; L36-L51 HydrophobicContact CD1-CD2 3.87Å; L36-L51 HydrophobicContact CD1-CG 4.27Å; L36-L51 HydrophobicContact CD2-CD1 3.59Å; L36-L51 HydrophobicContact CD2-CD2 4.38Å; L36-L51 HydrophobicContact CG-CD1 4.08Å; L42-L51 HydrophobicContact CD2-CD2 4.21Å; S47-L51 WeakPolarHBondContact O-CB 3.08Å; S47-L51 PolarHBondContact O-N 2.89Å; L48-L51 PolarHBondContact O-N 3.13Å; L51-A53 PolarHBondContact O-N 3.16Å; L51-V54 PolarHBondContact O-N 2.91Å; L51-T55 WeakPolarHBondContact CD1-OG1 3.46Å; L51-T55 WeakPolarHBondContact O-CB 3.48Å; L51-T55 PolarHBondContact O-N 3.29Å; L51-T55 PolarHBondContact O-OG1 3.22Å |
| 52 | F | 85.6 | Confident | 84.6 | Confident | 152 Ų | 152 | 93.5 Ų | 93.5 | 67% | 0.667 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.8 | -35 | 177.8 | -75.4 | -60.8 | 0 | 0 | 0 | 112.5 | L48 G56 | L48-F52 HydrophobicContact CB-CD2 4.44Å; L48-F52 HydrophobicContact CB-CE2 4.36Å; L48-F52 WeakPolarHBondContact O-CD2 3.44Å; L48-F52 PolarHBondContact O-N 3.42Å; F52-G56 VanDerWaalsContact O-CA 3.3Å; F52-G56 WeakPolarHBondContact O-CA 3.32Å; F52-G56 PolarHBondContact O-N 3.15Å |
| 53 | A | 87.1 | Confident | 86.5 | Confident | 45 Ų | 45 | 98.1 Ų | 98.1 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R49 T50 L51 R57 | R49-A53 VanDerWaalsContact O-CB 3.26Å; R49-A53 WeakPolarHBondContact O-CB 3.38Å; R49-A53 PolarHBondContact O-N 3.34Å; T50-A53 PolarHBondContact O-N 3.33Å; L51-A53 PolarHBondContact O-N 3.16Å; A53-R57 VanDerWaalsContact O-CG 3.32Å; A53-R57 WeakPolarHBondContact O-CG 3.34Å; A53-R57 PolarHBondContact O-N 2.82Å; A53-R57 VanDerWaalsContact O-N 3.16Å |
| 54 | V | 86 | Confident | 88.3 | Confident | 52 Ų | 52 | 95 Ų | 95 | 32% | 0.315 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.9 | -55.9 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 110 | T50 L51 G56 R57 E58 | T50-V54 HydrophobicContact CG2-CG2 4.42Å; T50-V54 WeakPolarHBondContact O-CG2 3.46Å; T50-V54 PolarHBondContact O-N 3.07Å; L51-V54 PolarHBondContact O-N 2.91Å; V54-G56 VanDerWaalsContact C-N 3.28Å; V54-G56 PolarHBondContact O-N 3.33Å; V54-R57 WeakPolarHBondContact O-CB 3.25Å; V54-R57 PolarHBondContact O-N 3.08Å; V54-R57 VanDerWaalsContact O-N 3.07Å; V54-E58 PolarHBondContact O-N 2.9Å; V54-E58 VanDerWaalsContact O-N 3.08Å |
| 55 | T | 88.5 | Confident | 89.3 | Confident | 38 Ų | 38 | 98.9 Ų | 98.9 | 23% | 0.233 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.1 | -37.6 | -179.9 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | L51 R57 E58 I59 | L51-T55 WeakPolarHBondContact CD1-OG1 3.46Å; L51-T55 WeakPolarHBondContact O-CB 3.48Å; L51-T55 PolarHBondContact O-N 3.29Å; L51-T55 PolarHBondContact O-OG1 3.22Å; T55-R57 VanDerWaalsContact C-N 3.33Å; T55-R57 PolarHBondContact O-N 3.16Å; T55-E58 PolarHBondContact O-N 3.23Å; T55-I59 HydrophobicContact CG2-CD1 3.88Å; T55-I59 HydrophobicContact CG2-CG1 4.37Å; T55-I59 WeakPolarHBondContact O-CB 3.3Å; T55-I59 VanDerWaalsContact O-CG1 3.25Å; T55-I59 WeakPolarHBondContact O-CG1 3.49Å; T55-I59 PolarHBondContact O-N 3.04Å |
| 56 | G | 91.1 | Very high | 90.1 | Very high | 36 Ų | 36 | 98.5 Ų | 98.5 | 37% | 0.371 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F52 V54 L60 | F52-G56 VanDerWaalsContact O-CA 3.3Å; F52-G56 WeakPolarHBondContact O-CA 3.32Å; F52-G56 PolarHBondContact O-N 3.15Å; V54-G56 VanDerWaalsContact C-N 3.28Å; V54-G56 PolarHBondContact O-N 3.33Å; G56-L60 WeakPolarHBondContact O-CB 3.4Å; G56-L60 PolarHBondContact O-N 2.86Å |
| 57 | R | 91.2 | Very high | 90.7 | Very high | 157 Ų | 157 | 99.1 Ų | 99.1 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67 | -44.8 | 173.8 | -77 | -171.1 | -60.2 | -96.8 | 5.4 | 111.8 | A53 V54 T55 L60 E61 | A53-R57 VanDerWaalsContact O-CG 3.32Å; A53-R57 WeakPolarHBondContact O-CG 3.34Å; A53-R57 PolarHBondContact O-N 2.82Å; A53-R57 VanDerWaalsContact O-N 3.16Å; V54-R57 WeakPolarHBondContact O-CB 3.25Å; V54-R57 PolarHBondContact O-N 3.08Å; V54-R57 VanDerWaalsContact O-N 3.07Å; T55-R57 VanDerWaalsContact C-N 3.33Å; T55-R57 PolarHBondContact O-N 3.16Å; R57-L60 PolarHBondContact O-N 3.4Å; R57-E61 WeakPolarHBondContact O-CB 3.35Å; R57-E61 PolarHBondContact O-N 3.4Å |
| 58 | E | 91.9 | Very high | 91.6 | Very high | 90 Ų | 90 | 103.3 Ų | 103.3 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 178.4 | -69.2 | 173.2 | 170.2 | 0 | 0 | 112.3 | V54 T55 E61 T62 | V54-E58 PolarHBondContact O-N 2.9Å; V54-E58 VanDerWaalsContact O-N 3.08Å; T55-E58 PolarHBondContact O-N 3.23Å; E58-E61 PolarHBondContact O-N 3.46Å; E58-T62 WeakPolarHBondContact O-CB 3.49Å; E58-T62 PolarHBondContact O-N 3.05Å; E58-T62 PolarHBondContact O-OG1 2.89Å |
| 59 | I | 94 | Very high | 92.3 | Very high | 109 Ų | 109 | 103.7 Ų | 103.7 | 56% | 0.559 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | 174.3 | -70 | 168.7 | 0 | 0 | 0 | 110.2 | T55 E61 T62 K63 | T55-I59 HydrophobicContact CG2-CD1 3.88Å; T55-I59 HydrophobicContact CG2-CG1 4.37Å; T55-I59 WeakPolarHBondContact O-CB 3.3Å; T55-I59 VanDerWaalsContact O-CG1 3.25Å; T55-I59 WeakPolarHBondContact O-CG1 3.49Å; T55-I59 PolarHBondContact O-N 3.04Å; I59-E61 PolarHBondContact O-N 2.87Å; I59-T62 PolarHBondContact O-N 3.49Å; I59-K63 WeakPolarHBondContact O-CB 3.34Å; I59-K63 PolarHBondContact O-N 2.87Å |
| 60 | L | 94.5 | Very high | 92.9 | Very high | 77 Ų | 77 | 99.3 Ų | 99.3 | 40% | 0.403 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 179.4 | -177.8 | 60.3 | 0 | 0 | 0 | 111.9 | G56 R57 K63 R64 | G56-L60 WeakPolarHBondContact O-CB 3.4Å; G56-L60 PolarHBondContact O-N 2.86Å; R57-L60 PolarHBondContact O-N 3.4Å; L60-K63 PolarHBondContact O-N 3.49Å; L60-R64 WeakPolarHBondContact O-CG 3.32Å; L60-R64 PolarHBondContact O-N 2.89Å |
| 61 | E | 95.5 | Very high | 93.5 | Very high | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.603 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.5 | -46.9 | 175.4 | -176.9 | 168.4 | -171.8 | 0 | 0 | 111.8 | R57 E58 I59 K63 R64 R65 | R57-E61 WeakPolarHBondContact O-CB 3.35Å; R57-E61 PolarHBondContact O-N 3.4Å; E58-E61 PolarHBondContact O-N 3.46Å; I59-E61 PolarHBondContact O-N 2.87Å; E61-K63 VanDerWaalsContact C-N 3.31Å; E61-K63 PolarHBondContact O-N 3.25Å; E61-R64 WeakPolarHBondContact O-CB 3.46Å; E61-R64 PolarHBondContact O-N 3.23Å; E61-R64 VanDerWaalsContact O-N 3.13Å; E61-R65 PolarHBondContact O-N 3.13Å |
| 62 | T | 95.5 | Very high | 94.2 | Very high | 94 Ų | 94 | 103.1 Ų | 103.1 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.1 | -44 | 175.5 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | E58 I59 R64 R65 L66 | E58-T62 WeakPolarHBondContact O-CB 3.49Å; E58-T62 PolarHBondContact O-N 3.05Å; E58-T62 PolarHBondContact O-OG1 2.89Å; I59-T62 PolarHBondContact O-N 3.49Å; T62-R64 PolarHBondContact O-N 3.38Å; T62-R65 PolarHBondContact O-N 3Å; T62-L66 WeakPolarHBondContact O-CB 3.33Å; T62-L66 PolarHBondContact O-N 3.37Å |
| 63 | K | 96.9 | Very high | 94.8 | Very high | 151 Ų | 151 | 101.1 Ų | 101.1 | 66% | 0.657 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.7 | -42.7 | 174.9 | -177.4 | 179.1 | 178.9 | 177.5 | 0 | 112.3 | I59 L60 E61 L66 K67 | I59-K63 WeakPolarHBondContact O-CB 3.34Å; I59-K63 PolarHBondContact O-N 2.87Å; L60-K63 PolarHBondContact O-N 3.49Å; E61-K63 VanDerWaalsContact C-N 3.31Å; E61-K63 PolarHBondContact O-N 3.25Å; K63-L66 PolarHBondContact O-N 2.91Å; K63-K67 PolarHBondContact O-N 3.06Å |
| 64 | R | 97.4 | Very high | 95.3 | Very high | 145 Ų | 145 | 102.3 Ų | 102.3 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 176.2 | -73 | 172.7 | -174.7 | 162.8 | -0.2 | 111.5 | L60 E61 T62 K67 R68 | L60-R64 WeakPolarHBondContact O-CG 3.32Å; L60-R64 PolarHBondContact O-N 2.89Å; E61-R64 WeakPolarHBondContact O-CB 3.46Å; E61-R64 PolarHBondContact O-N 3.23Å; E61-R64 VanDerWaalsContact O-N 3.13Å; T62-R64 PolarHBondContact O-N 3.38Å; R64-K67 PolarHBondContact O-N 2.86Å; R64-R68 PolarHBondContact O-N 3.45Å; R64-R68 VanDerWaalsContact O-N 3.12Å |
| 65 | R | 97.7 | Very high | 95.9 | Very high | 167 Ų | 167 | 106.2 Ų | 106.2 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -47.2 | 175.9 | -176.6 | 178.5 | 178.7 | -177.8 | -0.9 | 111.2 | E61 T62 K67 R68 I69 | E61-R65 PolarHBondContact O-N 3.13Å; T62-R65 PolarHBondContact O-N 3Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 3.01Å; R65-R68 PolarHBondContact O-N 2.95Å; R65-R68 VanDerWaalsContact O-N 3.17Å; R65-I69 HydrophobicContact CG-CD1 4.08Å; R65-I69 WeakPolarHBondContact O-CG1 3.32Å; R65-I69 PolarHBondContact O-N 3.36Å |
| 66 | L | 98 | Very high | 96.3 | Very high | 109 Ų | 109 | 111.1 Ų | 111.1 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.9 | -44.2 | 176.5 | -177.7 | 61.4 | 0 | 0 | 0 | 111.3 | T62 K63 R68 I69 V70 | T62-L66 WeakPolarHBondContact O-CB 3.33Å; T62-L66 PolarHBondContact O-N 3.37Å; K63-L66 PolarHBondContact O-N 2.91Å; L66-R68 VanDerWaalsContact C-N 3.32Å; L66-R68 PolarHBondContact O-N 3.3Å; L66-I69 PolarHBondContact O-N 3.17Å; L66-V70 HydrophobicContact CD1-CG2 4.37Å; L66-V70 WeakPolarHBondContact O-CG2 3.34Å; L66-V70 PolarHBondContact O-N 3.44Å |
| 67 | K | 97.8 | Very high | 96.6 | Very high | 148 Ų | 148 | 114.1 Ų | 114.1 | 64% | 0.643 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.1 | -41.9 | 176.2 | -172.7 | 178.1 | 179.8 | -178.5 | 0 | 112.4 | K63 R64 R65 V70 L71 | K63-K67 PolarHBondContact O-N 3.06Å; R64-K67 PolarHBondContact O-N 2.86Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 3.01Å; K67-V70 PolarHBondContact O-N 3.09Å; K67-L71 WeakPolarHBondContact O-CG 3.34Å; K67-L71 PolarHBondContact O-N 3.49Å; K67-L71 VanDerWaalsContact O-N 3.14Å |
| 68 | R | 98 | Very high | 96.9 | Very high | 132 Ų | 132 | 112.7 Ų | 112.7 | 50% | 0.498 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -48 | 176.4 | -71.9 | -172.2 | -65.3 | -100.1 | 2.8 | 111.9 | R64 R65 L66 V70 L71 E72 | R64-R68 PolarHBondContact O-N 3.45Å; R64-R68 VanDerWaalsContact O-N 3.12Å; R65-R68 PolarHBondContact O-N 2.95Å; R65-R68 VanDerWaalsContact O-N 3.17Å; L66-R68 VanDerWaalsContact C-N 3.32Å; L66-R68 PolarHBondContact O-N 3.3Å; R68-V70 VanDerWaalsContact C-N 3.3Å; R68-V70 PolarHBondContact O-N 3.26Å; R68-L71 PolarHBondContact O-N 2.97Å; R68-L71 VanDerWaalsContact O-N 3.13Å; R68-E72 PolarHBondContact O-N 3.13Å |
| 69 | I | 97.9 | Very high | 97.2 | Very high | 71 Ų | 71 | 113.8 Ų | 113.8 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 178.5 | -66.3 | 167.4 | 0 | 0 | 0 | 110.8 | R65 L66 L71 E72 L73 | R65-I69 HydrophobicContact CG-CD1 4.08Å; R65-I69 WeakPolarHBondContact O-CG1 3.32Å; R65-I69 PolarHBondContact O-N 3.36Å; L66-I69 PolarHBondContact O-N 3.17Å; I69-L71 VanDerWaalsContact C-N 3.34Å; I69-L71 PolarHBondContact O-N 3.42Å; I69-E72 PolarHBondContact O-N 3.12Å; I69-L73 HydrophobicContact CG2-CD1 4.13Å; I69-L73 HydrophobicContact CG2-CG 4.39Å; I69-L73 WeakPolarHBondContact O-CG 3.35Å; I69-L73 PolarHBondContact O-N 3.38Å |
| 70 | V | 97.8 | Very high | 97.4 | Very high | 69 Ų | 69 | 112.4 Ų | 112.4 | 42% | 0.418 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 177.8 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | L66 K67 R68 L73 I74 | L66-V70 HydrophobicContact CD1-CG2 4.37Å; L66-V70 WeakPolarHBondContact O-CG2 3.34Å; L66-V70 PolarHBondContact O-N 3.44Å; K67-V70 PolarHBondContact O-N 3.09Å; R68-V70 VanDerWaalsContact C-N 3.3Å; R68-V70 PolarHBondContact O-N 3.26Å; V70-L73 PolarHBondContact O-N 3.37Å; V70-I74 HydrophobicContact CG1-CD1 4.13Å; V70-I74 WeakPolarHBondContact O-CG1 3.44Å; V70-I74 PolarHBondContact O-N 3.14Å; V70-I74 VanDerWaalsContact O-N 3.09Å |
| 71 | L | 98.1 | Very high | 97.5 | Very high | 93 Ų | 93 | 114.9 Ų | 114.9 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 176.4 | -69.7 | 172.3 | 0 | 0 | 0 | 111.8 | K67 R68 I69 L73 I74 E75 | K67-L71 WeakPolarHBondContact O-CG 3.34Å; K67-L71 PolarHBondContact O-N 3.49Å; K67-L71 VanDerWaalsContact O-N 3.14Å; R68-L71 PolarHBondContact O-N 2.97Å; R68-L71 VanDerWaalsContact O-N 3.13Å; I69-L71 VanDerWaalsContact C-N 3.34Å; I69-L71 PolarHBondContact O-N 3.42Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 3.44Å; L71-I74 PolarHBondContact O-N 3.33Å; L71-E75 PolarHBondContact O-N 2.88Å |
| 72 | E | 97.9 | Very high | 97.4 | Very high | 102 Ų | 102 | 117.2 Ų | 117.2 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 174.8 | -72.5 | 173.3 | -162.9 | 0 | 0 | 111.4 | R68 I69 I74 E75 Y76 | R68-E72 PolarHBondContact O-N 3.13Å; I69-E72 PolarHBondContact O-N 3.12Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 3.17Å; E72-E75 WeakPolarHBondContact O-CB 3.38Å; E72-E75 PolarHBondContact O-N 3.42Å; E72-E75 VanDerWaalsContact O-N 3.17Å; E72-Y76 HydrophobicContact CB-CE2 4.46Å; E72-Y76 WeakPolarHBondContact O-CD2 3.5Å; E72-Y76 PolarHBondContact O-N 2.88Å |
| 73 | L | 98 | Very high | 97.4 | Very high | 110 Ų | 110 | 117.9 Ų | 117.9 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.5 | -40.1 | 177 | -72.9 | 174.5 | 0 | 0 | 0 | 112.5 | I69 V70 L71 E75 Y76 E77 | I69-L73 HydrophobicContact CG2-CD1 4.13Å; I69-L73 HydrophobicContact CG2-CG 4.39Å; I69-L73 WeakPolarHBondContact O-CG 3.35Å; I69-L73 PolarHBondContact O-N 3.38Å; V70-L73 PolarHBondContact O-N 3.37Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 3.44Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-E75 PolarHBondContact O-N 2.94Å; L73-Y76 PolarHBondContact O-N 3.13Å; L73-E77 WeakPolarHBondContact O-CB 3.45Å; L73-E77 PolarHBondContact O-N 3.05Å |
| 74 | I | 98 | Very high | 97.3 | Very high | 70 Ų | 70 | 118.3 Ų | 118.3 | 36% | 0.359 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.1 | -68.1 | 164.7 | 0 | 0 | 0 | 110.7 | V70 L71 E72 E77 K78 | V70-I74 HydrophobicContact CG1-CD1 4.13Å; V70-I74 WeakPolarHBondContact O-CG1 3.44Å; V70-I74 PolarHBondContact O-N 3.14Å; V70-I74 VanDerWaalsContact O-N 3.09Å; L71-I74 PolarHBondContact O-N 3.33Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 3.17Å; I74-E77 PolarHBondContact O-N 3.5Å; I74-K78 WeakPolarHBondContact O-CG 3.12Å; I74-K78 PolarHBondContact O-N 3.42Å |
| 75 | E | 97.7 | Very high | 97.1 | Very high | 133 Ų | 133 | 114.1 Ų | 114.1 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 176.2 | -71.2 | -178.3 | 177.3 | 0 | 0 | 112.3 | L71 E72 L73 E77 K78 K79 | L71-E75 PolarHBondContact O-N 2.88Å; E72-E75 WeakPolarHBondContact O-CB 3.38Å; E72-E75 PolarHBondContact O-N 3.42Å; E72-E75 VanDerWaalsContact O-N 3.17Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-E75 PolarHBondContact O-N 2.94Å; E75-E77 VanDerWaalsContact C-N 3.35Å; E75-K78 PolarHBondContact O-N 2.66Å; E75-K79 PolarHBondContact O-N 3.43Å |
| 76 | Y | 97.9 | Very high | 96.8 | Very high | 142 Ų | 142 | 109.1 Ų | 109.1 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.4 | -43.8 | 173.2 | -81.1 | -63.4 | 0 | 0 | 0 | 111.6 | E72 L73 K78 K79 V80 | E72-Y76 HydrophobicContact CB-CE2 4.46Å; E72-Y76 WeakPolarHBondContact O-CD2 3.5Å; E72-Y76 PolarHBondContact O-N 2.88Å; L73-Y76 PolarHBondContact O-N 3.13Å; Y76-K78 VanDerWaalsContact C-N 3.34Å; Y76-K78 PolarHBondContact O-N 3.43Å; Y76-K79 WeakPolarHBondContact O-CB 3.31Å; Y76-K79 PolarHBondContact O-N 2.86Å; Y76-K79 VanDerWaalsContact O-N 3.13Å; Y76-V80 WeakPolarHBondContact O-CG2 3.46Å; Y76-V80 PolarHBondContact O-N 3.36Å |
| 77 | E | 97.5 | Very high | 96.5 | Very high | 99 Ų | 99 | 109.7 Ų | 109.7 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 176.7 | -166.7 | -163.7 | 158.3 | 0 | 0 | 111.4 | L73 I74 E75 K79 V80 K81 | L73-E77 WeakPolarHBondContact O-CB 3.45Å; L73-E77 PolarHBondContact O-N 3.05Å; I74-E77 PolarHBondContact O-N 3.5Å; E75-E77 VanDerWaalsContact C-N 3.35Å; E77-K79 VanDerWaalsContact C-N 3.33Å; E77-K79 PolarHBondContact O-N 3.06Å; E77-V80 PolarHBondContact O-N 3.23Å; E77-K81 WeakPolarHBondContact O-CG 3.46Å; E77-K81 PolarHBondContact O-N 3.44Å; E77-K81 VanDerWaalsContact OE1-CE 3.31Å; E77-K81 WeakPolarHBondContact OE1-CE 3.37Å; E77-K81 IonicContact OE1-NZ 3.2Å; E77-K81 PolarHBondContact OE1-NZ 3.27Å |
| 78 | K | 97.6 | Very high | 95.9 | Very high | 127 Ų | 127 | 108.7 Ų | 108.7 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 174.7 | -71.5 | 174 | -178 | 178.6 | 0 | 111.9 | I74 E75 Y76 R82 | I74-K78 WeakPolarHBondContact O-CG 3.12Å; I74-K78 PolarHBondContact O-N 3.42Å; E75-K78 PolarHBondContact O-N 2.66Å; Y76-K78 VanDerWaalsContact C-N 3.34Å; Y76-K78 PolarHBondContact O-N 3.43Å; K78-R82 WeakPolarHBondContact O-CG 3.37Å; K78-R82 PolarHBondContact O-N 3.1Å; K78-R82 VanDerWaalsContact O-N 3.1Å |
| 79 | K | 97.5 | Very high | 95.2 | Very high | 113 Ų | 113 | 109 Ų | 109 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 176.8 | -173.6 | 178.9 | 178.6 | -178.7 | 0 | 111.3 | E75 Y76 E77 K81 R82 M83 | E75-K79 PolarHBondContact O-N 3.43Å; Y76-K79 WeakPolarHBondContact O-CB 3.31Å; Y76-K79 PolarHBondContact O-N 2.86Å; Y76-K79 VanDerWaalsContact O-N 3.13Å; E77-K79 VanDerWaalsContact C-N 3.33Å; E77-K79 PolarHBondContact O-N 3.06Å; K79-K81 PolarHBondContact O-N 2.86Å; K79-R82 PolarHBondContact O-N 2.99Å; K79-M83 HydrophobicContact CG-SD 4.24Å; K79-M83 WeakPolarHBondContact O-CG 3.46Å; K79-M83 PolarHBondContact O-N 3.48Å |
| 80 | V | 97.1 | Very high | 93.9 | Very high | 79 Ų | 79 | 107.9 Ų | 107.9 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 111 | Y76 E77 R82 M83 R84 | Y76-V80 WeakPolarHBondContact O-CG2 3.46Å; Y76-V80 PolarHBondContact O-N 3.36Å; E77-V80 PolarHBondContact O-N 3.23Å; V80-R82 PolarHBondContact O-N 3.49Å; V80-M83 PolarHBondContact O-N 3.42Å; V80-R84 WeakPolarHBondContact O-CB 3.33Å; V80-R84 PolarHBondContact O-N 3.33Å |
| 81 | K | 96.6 | Very high | 92.2 | Very high | 129 Ų | 129 | 108.7 Ų | 108.7 | 56% | 0.561 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.3 | -44.5 | 175.4 | -78.2 | 172.7 | 169.5 | 166.9 | 0 | 112.2 | E77 K79 R84 A85 | E77-K81 WeakPolarHBondContact O-CG 3.46Å; E77-K81 PolarHBondContact O-N 3.44Å; E77-K81 VanDerWaalsContact OE1-CE 3.31Å; E77-K81 WeakPolarHBondContact OE1-CE 3.37Å; E77-K81 IonicContact OE1-NZ 3.2Å; E77-K81 PolarHBondContact OE1-NZ 3.27Å; K79-K81 PolarHBondContact O-N 2.86Å; K81-R84 PolarHBondContact O-N 2.93Å; K81-A85 PolarHBondContact O-N 3.47Å |
| 82 | R | 95.4 | Very high | 90.3 | Very high | 179 Ų | 179 | 108.6 Ų | 108.6 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 175.6 | -74.1 | -174 | -70.9 | 165.3 | -4.1 | 112.6 | K78 K79 V80 R84 A85 A86 | K78-R82 WeakPolarHBondContact O-CG 3.37Å; K78-R82 PolarHBondContact O-N 3.1Å; K78-R82 VanDerWaalsContact O-N 3.1Å; K79-R82 PolarHBondContact O-N 2.99Å; V80-R82 PolarHBondContact O-N 3.49Å; R82-R84 VanDerWaalsContact C-N 3.34Å; R82-R84 PolarHBondContact O-N 2.92Å; R82-A85 PolarHBondContact O-N 3.31Å; R82-A86 PolarHBondContact O-N 3.12Å |
| 83 | M | 94.8 | Very high | 88.3 | Confident | 108 Ų | 108 | 110.5 Ų | 110.5 | 53% | 0.532 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.8 | -41 | 176.9 | -72 | 178.1 | 64.9 | 0 | 0 | 111.8 | K79 V80 A86 L87 | K79-M83 HydrophobicContact CG-SD 4.24Å; K79-M83 WeakPolarHBondContact O-CG 3.46Å; K79-M83 PolarHBondContact O-N 3.48Å; V80-M83 PolarHBondContact O-N 3.42Å; M83-A86 PolarHBondContact O-N 2.73Å; M83-L87 WeakPolarHBondContact O-CB 3.47Å; M83-L87 WeakPolarHBondContact O-CG 3.35Å; M83-L87 PolarHBondContact O-N 2.92Å |
| 84 | R | 94.7 | Very high | 86.2 | Confident | 159 Ų | 159 | 113.4 Ų | 113.4 | 60% | 0.6 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.5 | -43.2 | 175.6 | -175.4 | -178.2 | -66.9 | -176 | -2 | 111.7 | V80 K81 R82 L87 H88 | V80-R84 WeakPolarHBondContact O-CB 3.33Å; V80-R84 PolarHBondContact O-N 3.33Å; K81-R84 PolarHBondContact O-N 2.93Å; R82-R84 VanDerWaalsContact C-N 3.34Å; R82-R84 PolarHBondContact O-N 2.92Å; R84-L87 PolarHBondContact O-N 3.03Å; R84-H88 PolarHBondContact O-CD2 2.94Å; R84-H88 PolarHBondContact O-N 2.96Å |
| 85 | A | 92.9 | Very high | 84.2 | Confident | 58 Ų | 58 | 118.8 Ų | 118.8 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.9 | -46.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K81 R82 L87 H88 E89 | K81-A85 PolarHBondContact O-N 3.47Å; R82-A85 PolarHBondContact O-N 3.31Å; A85-L87 VanDerWaalsContact C-N 3.32Å; A85-L87 PolarHBondContact O-N 3.17Å; A85-H88 PolarHBondContact O-N 3.39Å; A85-H88 VanDerWaalsContact O-N 3.17Å; A85-E89 PolarHBondContact O-N 3.4Å |
| 86 | A | 91.7 | Very high | 81.9 | Confident | 61 Ų | 61 | 115.5 Ų | 115.5 | 50% | 0.504 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.3 | -37 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R82 M83 G90 | R82-A86 PolarHBondContact O-N 3.12Å; M83-A86 PolarHBondContact O-N 2.73Å; A86-G90 PolarHBondContact O-N 2.97Å |
| 87 | L | 90.8 | Very high | 79.4 | Confident | 122 Ų | 122 | 117.8 Ų | 117.8 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.4 | -39.9 | 173.8 | -75.8 | 168.1 | 0 | 0 | 0 | 112.2 | M83 R84 A85 T91 | M83-L87 WeakPolarHBondContact O-CB 3.47Å; M83-L87 WeakPolarHBondContact O-CG 3.35Å; M83-L87 PolarHBondContact O-N 2.92Å; R84-L87 PolarHBondContact O-N 3.03Å; A85-L87 VanDerWaalsContact C-N 3.32Å; A85-L87 PolarHBondContact O-N 3.17Å; L87-T91 WeakPolarHBondContact O-CB 3.42Å; L87-T91 WeakPolarHBondContact O-CG2 3.36Å; L87-T91 PolarHBondContact O-N 2.98Å; L87-T91 PolarHBondContact O-OG1 3.48Å |
| 88 | H | 86.7 | Confident | 77.4 | Confident | 127 Ų | 127 | 121.5 Ų | 121.5 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67 | -38 | 175.3 | -82.9 | -49.9 | 0 | 0 | 0 | 112.6 | R84 A85 T91 S92 | R84-H88 PolarHBondContact O-CD2 2.94Å; R84-H88 PolarHBondContact O-N 2.96Å; A85-H88 PolarHBondContact O-N 3.39Å; A85-H88 VanDerWaalsContact O-N 3.17Å; H88-T91 WeakPolarHBondContact CA-OG1 3.34Å; H88-T91 PolarHBondContact O-OG1 3.42Å; H88-T91 VanDerWaalsContact O-OG1 3.12Å; H88-S92 WeakPolarHBondContact O-CB 3.4Å; H88-S92 PolarHBondContact O-N 3.4Å |
| 89 | E | 81.5 | Confident | 75 | Confident | 138 Ų | 138 | 121 Ų | 121 | 65% | 0.645 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.8 | -44 | 174.8 | -171.1 | 173.8 | -169.1 | 0 | 0 | 111.7 | A85 T91 S92 L93 | A85-E89 PolarHBondContact O-N 3.4Å; E89-T91 VanDerWaalsContact C-N 3.31Å; E89-T91 PolarHBondContact O-N 3.3Å; E89-S92 PolarHBondContact O-N 3.23Å; E89-L93 PolarHBondContact O-N 3.4Å |
| 90 | G | 72.2 | Confident | 72.6 | Confident | 47 Ų | 47 | 121.3 Ų | 121.3 | 49% | 0.485 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67.2 | -27.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A86 | A86-G90 PolarHBondContact O-N 2.97Å |
| 91 | T | 60.7 | Low | 70.1 | Confident | 86 Ų | 86 | 122.1 Ų | 122.1 | 53% | 0.528 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -83 | -25.4 | 173.7 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | L87 H88 E89 L93 | L87-T91 WeakPolarHBondContact O-CB 3.42Å; L87-T91 WeakPolarHBondContact O-CG2 3.36Å; L87-T91 PolarHBondContact O-N 2.98Å; L87-T91 PolarHBondContact O-OG1 3.48Å; H88-T91 WeakPolarHBondContact CA-OG1 3.34Å; H88-T91 PolarHBondContact O-OG1 3.42Å; H88-T91 VanDerWaalsContact O-OG1 3.12Å; E89-T91 VanDerWaalsContact C-N 3.31Å; E89-T91 PolarHBondContact O-N 3.3Å; T91-L93 VanDerWaalsContact C-N 3.32Å; T91-L93 PolarHBondContact O-N 2.93Å |
| 92 | S | 58.2 | Low | 67.9 | Low | 91 Ų | 91 | 125.6 Ų | 125.6 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -76 | -16.2 | 177.6 | -169.9 | 0 | 0 | 0 | 0 | 114 | H88 E89 E94 | H88-S92 WeakPolarHBondContact O-CB 3.4Å; H88-S92 PolarHBondContact O-N 3.4Å; E89-S92 PolarHBondContact O-N 3.23Å; S92-E94 VanDerWaalsContact C-N 3.35Å |
| 93 | L | 56.8 | Low | 65.8 | Low | 142 Ų | 142 | 123.2 Ų | 123.2 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -5.9 | -179.1 | -93.1 | 157.8 | 0 | 0 | 0 | 114.5 | E89 T91 | E89-L93 PolarHBondContact O-N 3.4Å; T91-L93 VanDerWaalsContact C-N 3.32Å; T91-L93 PolarHBondContact O-N 2.93Å |
| 94 | E | 54.7 | Low | 63.9 | Low | 171 Ų | 171 | 123.6 Ų | 123.6 | 80% | 0.799 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -1.3 | -179.8 | -72.9 | -100.8 | 145.5 | 0 | 0 | 113.9 | S92 | S92-E94 VanDerWaalsContact C-N 3.35Š|
| 95 | E | 54.3 | Low | 61.7 | Low | 184 Ų | 184 | 124 Ų | 124 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -103.8 | 15.2 | -177.5 | -71.1 | -166.3 | 156.6 | 0 | 0 | 115.1 | ||
| 96 | G | 49.9 | Very low | 59.8 | Low | 63 Ų | 63 | 125.6 Ų | 125.6 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -140.7 | 60.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 97 | E | 45.4 | Very low | 58.1 | Low | 190 Ų | 190 | 126.9 Ų | 126.9 | 89% | 0.888 | 73% | 0.731 | S | S | * | * | trans | 167.7 | 79.5 | 141.8 | -98 | 175.8 | 158 | 0 | 0 | 110.4 | P99 | E97-P99 WeakPolarHBondContact O-CD 3.36Š| ||
| 98 | H | 55.7 | Low | 56.3 | Low | 178 Ų | 178 | 127.5 Ų | 127.5 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | trans | -78.5 | 116.7 | 155.5 | -76.7 | -70.3 | 0 | 0 | 0 | 107.8 | S100 | H98-S100 PolarHBondContact O-N 3.08Å; H98-S100 VanDerWaalsContact O-N 3.08Å | ||
| 99 | P | 48 | Very low | 54.6 | Low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | -65.2 | 116.4 | 172.3 | 26.7 | -30.8 | 0 | 0 | 0 | 107.2 | E97 A101 | E97-P99 WeakPolarHBondContact O-CD 3.36Å; P99-A101 VanDerWaalsContact C-N 3.26Å; P99-A101 PolarHBondContact O-N 2.99Å | ||
| 100 | S | 47 | Very low | 53.3 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -63.1 | 92.6 | 172.4 | -165.4 | 0 | 0 | 0 | 0 | 108.3 | H98 R102 | H98-S100 PolarHBondContact O-N 3.08Å; H98-S100 VanDerWaalsContact O-N 3.08Å; S100-R102 PolarHBondContact O-N 2.79Å | ||
| 101 | A | 44.4 | Very low | 52.1 | Low | 96 Ų | 96 | 130.5 Ų | 130.5 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | -68.9 | 94.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | P99 | P99-A101 VanDerWaalsContact C-N 3.26Å; P99-A101 PolarHBondContact O-N 2.99Å | ||
| 102 | R | 50.9 | Low | 51.6 | Low | 203 Ų | 203 | 132.2 Ų | 132.2 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -104.1 | 103.8 | 164.7 | -153.1 | 179.6 | -168.5 | -174.7 | 2.6 | 107.6 | S100 T104 | S100-R102 PolarHBondContact O-N 2.79Å; R102-T104 PolarHBondContact O-N 3.08Å; R102-T104 VanDerWaalsContact O-N 3.08Å | ||
| 103 | P | 49.5 | Very low | 50.9 | Low | 128 Ų | 128 | 134.1 Ų | 134.1 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -77.8 | 94.3 | 168.3 | 30.4 | -26.4 | 0 | 0 | 0 | 106.8 | ||||
| 104 | T | 55.5 | Low | 50.8 | Low | 116 Ų | 116 | 133.2 Ų | 133.2 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | trans | -88.2 | 105.9 | 165.8 | 1.5 | 0 | 0 | 0 | 0 | 107.8 | R102 A106 | R102-T104 PolarHBondContact O-N 3.08Å; R102-T104 VanDerWaalsContact O-N 3.08Å; T104-A106 PolarHBondContact O-N 3.2Å | ||
| 105 | D | 48.1 | Very low | 50.6 | Low | 169 Ų | 169 | 131.4 Ų | 131.4 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -57.4 | 107.3 | 169.7 | -154.4 | 0.7 | 0 | 0 | 0 | 109 | ||||
| 106 | A | 54.1 | Low | 50.7 | Low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -150.8 | 114.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | T104 | T104-A106 PolarHBondContact O-N 3.2Š| ||
| 107 | A | 55.4 | Low | 50.9 | Low | 87 Ų | 87 | 138.8 Ų | 138.8 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | trans | -59.2 | 161 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 108 | D | 52.2 | Low | 51.6 | Low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 73.6 | 100.6 | 148 | -83.5 | -3.7 | 0 | 0 | 0 | 119.5 | ||||
| 109 | N | 52.1 | Low | 51.2 | Low | 134 Ų | 134 | 140.9 Ų | 140.9 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | 111.8 | 117.5 | 119.2 | -64.6 | -22.8 | 0 | 0 | 0 | 118.9 | |||||
| 110 | S | 54.4 | Low | 51.5 | Low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 91.1 | 94.1 | 138.1 | -58.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 111 | V | 47.3 | Very low | 52 | Low | 131 Ų | 131 | 140.8 Ų | 140.8 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 4.1 | 119.7 | 132.6 | -177 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 112 | S | 49.7 | Very low | 52.3 | Low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -157.5 | 119.8 | 131 | -89.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 113 | T | 43.6 | Very low | 52.4 | Low | 130 Ų | 130 | 139.9 Ų | 139.9 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -64.5 | 133 | 170.4 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 114 | S | 54.6 | Low | 52.9 | Low | 123 Ų | 123 | 141.1 Ų | 141.1 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -148.2 | 96.9 | 156 | -143.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 115 | V | 51.1 | Low | 52.9 | Low | 133 Ų | 133 | 141.2 Ų | 141.2 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 117.7 | 168.6 | 177.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 116 | R | 56.8 | Low | 53.2 | Low | 220 Ų | 220 | 136.8 Ų | 136.8 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -129.4 | 112.3 | 161.7 | -154.8 | 173.7 | -159 | 155.5 | 6.3 | 110 | ||||
| 117 | K | 54.1 | Low | 52.7 | Low | 183 Ų | 183 | 140.2 Ų | 140.2 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -78.5 | 131.4 | 171.5 | -66.3 | -160.3 | 176.4 | -168.6 | 0 | 110.4 | ||||
| 118 | H | 59.9 | Low | 52.9 | Low | 161 Ų | 161 | 142.1 Ų | 142.1 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | -146.3 | 102.3 | 152 | -76.9 | -78.3 | 0 | 0 | 0 | 103.3 | ||||
| 119 | R | 47.6 | Very low | 52.5 | Low | 250 Ų | 250 | 140.5 Ų | 140.5 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | 50.6 | 108.2 | 63.5 | -152.6 | 177.4 | -159.6 | 175.7 | 6 | 113.4 | |||||
| 120 | G | 53.8 | Low | 52.9 | Low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | trans | 140.2 | 75.1 | 176 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 121 | D | 56.1 | Low | 53 | Low | 168 Ų | 168 | 140.6 Ų | 140.6 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | 78.5 | 93.2 | 97.2 | -82.2 | -8.8 | 0 | 0 | 0 | 112.6 | |||||
| 122 | E | 51.5 | Low | 53.7 | Low | 182 Ų | 182 | 141.6 Ų | 141.6 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -98.5 | 168.7 | 144 | -102.1 | -166.3 | 169.2 | 0 | 0 | 107.5 | ||||
| 123 | P | 52.1 | Low | 54 | Low | 97 Ų | 97 | 141 Ų | 141 | 63% | 0.63 | 81% | 0.805 | S | S | * | * | cis | -134 | 175.2 | -1.4 | 24.6 | 2.1 | 0 | 0 | 0 | 111.6 | ||||
| 124 | L | 61.5 | Low | 54.7 | Low | 154 Ų | 154 | 143.6 Ų | 143.6 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | 170.3 | 155.5 | 81.7 | -82.9 | 171.3 | 0 | 0 | 0 | 108.7 | |||||
| 125 | P | 55.9 | Low | 54.9 | Low | 118 Ų | 118 | 144.9 Ų | 144.9 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -78 | 124.5 | 176.2 | 31.6 | -31.1 | 0 | 0 | 0 | 111.2 | N127 | P125-N127 PolarHBondContact O-N 3.34Š| ||
| 126 | G | 52.5 | Low | 55 | Low | 77 Ų | 77 | 146.3 Ų | 146.3 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -81.3 | 101.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 127 | N | 45.5 | Very low | 54.7 | Low | 163 Ų | 163 | 147.1 Ų | 147.1 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | -73.2 | 116.8 | 157.9 | -87.7 | -7.8 | 0 | 0 | 0 | 108.8 | P125 | P125-N127 PolarHBondContact O-N 3.34Š| ||
| 128 | S | 58.2 | Low | 54.7 | Low | 127 Ų | 127 | 145.3 Ų | 145.3 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | trans | -112.8 | 92.3 | 161.2 | -68.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 129 | A | 45.1 | Very low | 54.5 | Low | 101 Ų | 101 | 144.5 Ų | 144.5 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -94.2 | 124.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 130 | A | 60.3 | Low | 54.8 | Low | 88 Ų | 88 | 138.6 Ų | 138.6 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | trans | -164.5 | 99.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 131 | D | 56.2 | Low | 54.9 | Low | 158 Ų | 158 | 142.9 Ų | 142.9 | 85% | 0.845 | 85% | 0.845 | S | S | * | * | 53.1 | 101.7 | 94.3 | -73.5 | -31.2 | 0 | 0 | 0 | 111.6 | |||||
| 132 | D | 60.8 | Low | 54.8 | Low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 84% | 0.841 | S | S | * | * | 171.9 | 129.4 | 96 | -138.5 | -13.9 | 0 | 0 | 0 | 110.5 | |||||
| 133 | P | 57.8 | Low | 55 | Low | 111 Ų | 111 | 138.6 Ų | 138.6 | 72% | 0.721 | 84% | 0.841 | S | S | * | * | trans | -108.6 | 109.2 | 171.4 | 34.5 | -20.3 | 0 | 0 | 0 | 110.5 | ||||
| 134 | E | 58.1 | Low | 55.2 | Low | 183 Ų | 183 | 141.6 Ų | 141.6 | 86% | 0.855 | 86% | 0.856 | S | S | * | * | trans | -165.5 | 121.8 | 158.8 | -115.2 | 173.5 | -162.5 | 0 | 0 | 111.1 | ||||
| 135 | T | 59.2 | Low | 54.8 | Low | 151 Ų | 151 | 140.6 Ų | 140.6 | 93% | 0.926 | 86% | 0.86 | S | S | * | * | trans | -168.2 | 106.6 | 140.2 | 12.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 136 | D | 52.9 | Low | 54.7 | Low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 87% | 0.867 | S | S | * | * | trans | -86.5 | 118.3 | 165 | -156.5 | 9.3 | 0 | 0 | 0 | 107 | ||||
| 137 | N | 49.6 | Very low | 54.9 | Low | 237 Ų | 237 | 148.5 Ų | 148.5 | 100% | 1.267 | 87% | 0.874 | S | S | * | * | trans | -170.8 | 0 | 157.1 | -114.7 | -0 | 0 | 0 | 0 | 110.3 |
Retrieved 137 of 137 residues in 27.6 ms
(Link to these results)