| 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 | 55.5 | Low | 70.8 | Confident | 223 Ų | 223 | 120.5 Ų | 120.5 | 100% | 1.099 | 64% | 0.642 | S | S | * | * | 0 | 11.1 | 0 | -132.1 | -178.3 | -71.6 | 0 | 0 | 112.6 | |||||
| 2 | E | 59.7 | Low | 72.4 | Confident | 156 Ų | 156 | 114.6 Ų | 114.6 | 73% | 0.729 | 62% | 0.623 | S | S | * | * | trans | -94.8 | -11.6 | 178.8 | -78.2 | -178.2 | 145.2 | 0 | 0 | 114.5 | ||||
| 3 | V | 59.9 | Low | 73.9 | Confident | 117 Ų | 117 | 113.2 Ų | 113.2 | 71% | 0.709 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.9 | -37 | -175.8 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | A5 K6 | V3-A5 VanDerWaalsContact C-N 3.35Å; V3-A5 PolarHBondContact O-N 2.72Å; V3-K6 PolarHBondContact O-N 3.24Å |
| 4 | L | 60 | Low | 74.9 | Confident | 119 Ų | 119 | 114.5 Ų | 114.5 | 62% | 0.623 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.3 | -34.9 | 179.3 | -76.6 | 163.4 | 0 | 0 | 0 | 112.9 | K6 | L4-K6 VanDerWaalsContact C-N 3.32Å; L4-K6 PolarHBondContact O-N 3.13Å |
| 5 | A | 63.3 | Low | 75.5 | Confident | 61 Ų | 61 | 112.1 Ų | 112.1 | 50% | 0.504 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.5 | -21.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V3 T9 | V3-A5 VanDerWaalsContact C-N 3.35Å; V3-A5 PolarHBondContact O-N 2.72Å; A5-T9 WeakPolarHBondContact O-CG2 3.32Å |
| 6 | K | 66.6 | Low | 76.3 | Confident | 139 Ų | 139 | 111.2 Ų | 111.2 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -80.2 | -37 | 179.5 | -68.9 | -176.5 | 178.1 | 179.6 | 0 | 111.9 | V3 L4 T9 E10 | V3-K6 PolarHBondContact O-N 3.24Å; L4-K6 VanDerWaalsContact C-N 3.32Å; L4-K6 PolarHBondContact O-N 3.13Å; K6-T9 PolarHBondContact O-N 3.13Å; K6-T9 PolarHBondContact O-OG1 3Å; K6-E10 PolarHBondContact O-N 3.25Å |
| 7 | E | 72.4 | Confident | 76.8 | Confident | 125 Ų | 125 | 110.2 Ų | 110.2 | 58% | 0.584 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.1 | -39.1 | -179.7 | -152.8 | 163.9 | -162.9 | 0 | 0 | 111.6 | T9 E10 A11 | E7-T9 VanDerWaalsContact C-N 3.31Å; E7-T9 PolarHBondContact O-N 3.4Å; E7-E10 PolarHBondContact O-N 3.43Å; E7-A11 WeakPolarHBondContact O-CB 3.34Å; E7-A11 PolarHBondContact O-N 3.36Å |
| 8 | D | 78.4 | Confident | 76.8 | Confident | 119 Ų | 119 | 114.2 Ų | 114.2 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.2 | -37.2 | 174.6 | -71.1 | -25.1 | 0 | 0 | 0 | 112.3 | A12 | D8-A12 WeakPolarHBondContact O-CB 3.19Å; D8-A12 PolarHBondContact O-N 3.19Å |
| 9 | T | 85.6 | Confident | 76.8 | Confident | 79 Ų | 79 | 116 Ų | 116 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.6 | -37.9 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | A5 K6 E7 A12 I13 | A5-T9 WeakPolarHBondContact O-CG2 3.32Å; K6-T9 PolarHBondContact O-N 3.13Å; K6-T9 PolarHBondContact O-OG1 3Å; E7-T9 VanDerWaalsContact C-N 3.31Å; E7-T9 PolarHBondContact O-N 3.4Å; T9-A12 PolarHBondContact O-N 3.46Å; T9-I13 WeakPolarHBondContact O-CD1 3.5Å; T9-I13 VanDerWaalsContact O-CG1 3.22Å; T9-I13 WeakPolarHBondContact O-CG1 3.1Å; T9-I13 PolarHBondContact O-N 2.96Å |
| 10 | E | 89.2 | Confident | 76.7 | Confident | 127 Ų | 127 | 115.8 Ų | 115.8 | 59% | 0.593 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.8 | -40.7 | 175.8 | -75.1 | 176.8 | 179.7 | 0 | 0 | 111.4 | K6 E7 A12 I13 Q14 | K6-E10 PolarHBondContact O-N 3.25Å; E7-E10 PolarHBondContact O-N 3.43Å; E10-A12 VanDerWaalsContact C-N 3.35Å; E10-A12 PolarHBondContact O-N 2.75Å; E10-I13 PolarHBondContact O-N 2.9Å; E10-Q14 WeakPolarHBondContact O-CB 3.03Å; E10-Q14 VanDerWaalsContact O-CG 3.31Å; E10-Q14 WeakPolarHBondContact O-CG 3.48Å; E10-Q14 PolarHBondContact O-N 3.31Å |
| 11 | A | 87.8 | Confident | 76.3 | Confident | 60 Ų | 60 | 114.4 Ų | 114.4 | 50% | 0.496 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E7 Q14 S15 | E7-A11 WeakPolarHBondContact O-CB 3.34Å; E7-A11 PolarHBondContact O-N 3.36Å; A11-Q14 PolarHBondContact O-N 2.82Å; A11-S15 WeakPolarHBondContact O-CB 3.44Å; A11-S15 PolarHBondContact O-N 3.35Å |
| 12 | A | 90 | Very high | 76.5 | Confident | 50 Ų | 50 | 107 Ų | 107 | 41% | 0.413 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.8 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D8 T9 E10 S15 I16 | D8-A12 WeakPolarHBondContact O-CB 3.19Å; D8-A12 PolarHBondContact O-N 3.19Å; T9-A12 PolarHBondContact O-N 3.46Å; E10-A12 VanDerWaalsContact C-N 3.35Å; E10-A12 PolarHBondContact O-N 2.75Å; A12-S15 PolarHBondContact O-N 3.02Å; A12-I16 VanDerWaalsContact O-CG1 3.28Å; A12-I16 WeakPolarHBondContact O-CG1 3.3Å; A12-I16 PolarHBondContact O-N 3.27Å |
| 13 | I | 91.8 | Very high | 76.6 | Confident | 97 Ų | 97 | 104.8 Ų | 104.8 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.6 | -46 | 176.5 | -69.4 | 164 | 0 | 0 | 0 | 110.9 | T9 E10 S15 I16 L17 | T9-I13 WeakPolarHBondContact O-CD1 3.5Å; T9-I13 VanDerWaalsContact O-CG1 3.22Å; T9-I13 WeakPolarHBondContact O-CG1 3.1Å; T9-I13 PolarHBondContact O-N 2.96Å; E10-I13 PolarHBondContact O-N 2.9Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 2.86Å; I13-I16 PolarHBondContact O-N 3.33Å; I13-L17 HydrophobicContact CG2-CD1 3.96Å; I13-L17 HydrophobicContact CG2-CG 4.48Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 2.94Å |
| 14 | Q | 88.1 | Confident | 76.7 | Confident | 131 Ų | 131 | 105.9 Ų | 105.9 | 61% | 0.612 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.2 | -40.1 | 178.1 | -72.7 | -67.8 | -13.3 | 0 | 0 | 112.4 | E10 A11 L17 Y18 | E10-Q14 WeakPolarHBondContact O-CB 3.03Å; E10-Q14 VanDerWaalsContact O-CG 3.31Å; E10-Q14 WeakPolarHBondContact O-CG 3.48Å; E10-Q14 PolarHBondContact O-N 3.31Å; A11-Q14 PolarHBondContact O-N 2.82Å; Q14-L17 PolarHBondContact O-N 3.43Å; Q14-Y18 WeakPolarHBondContact O-CB 3.45Å; Q14-Y18 PolarHBondContact O-N 3.05Å |
| 15 | S | 83.9 | Confident | 76.7 | Confident | 79 Ų | 79 | 107.6 Ų | 107.6 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65 | -40.5 | 177.5 | -172.4 | 0 | 0 | 0 | 0 | 112.3 | A11 A12 I13 K19 | A11-S15 WeakPolarHBondContact O-CB 3.44Å; A11-S15 PolarHBondContact O-N 3.35Å; A12-S15 PolarHBondContact O-N 3.02Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 2.86Å; S15-K19 WeakPolarHBondContact O-CB 3.44Å; S15-K19 PolarHBondContact O-N 2.66Å; S15-K19 VanDerWaalsContact O-N 3.12Å |
| 16 | I | 88 | Confident | 76.2 | Confident | 97 Ų | 97 | 106.4 Ų | 106.4 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.9 | -49.8 | 175.9 | -67.7 | 164.7 | 0 | 0 | 0 | 110.4 | A12 I13 Y18 K19 E20 | A12-I16 VanDerWaalsContact O-CG1 3.28Å; A12-I16 WeakPolarHBondContact O-CG1 3.3Å; A12-I16 PolarHBondContact O-N 3.27Å; I13-I16 PolarHBondContact O-N 3.33Å; I16-Y18 VanDerWaalsContact C-N 3.34Å; I16-Y18 PolarHBondContact O-N 3.31Å; I16-K19 PolarHBondContact O-N 2.8Å; I16-E20 PolarHBondContact O-N 3.01Å |
| 17 | L | 84.7 | Confident | 75.8 | Confident | 94 Ų | 94 | 106.5 Ų | 106.5 | 49% | 0.492 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.2 | -40.4 | -179.4 | -71 | 173.2 | 0 | 0 | 0 | 112.6 | I13 Q14 N21 | I13-L17 HydrophobicContact CG2-CD1 3.96Å; I13-L17 HydrophobicContact CG2-CG 4.48Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 2.94Å; Q14-L17 PolarHBondContact O-N 3.43Å; L17-N21 WeakPolarHBondContact O-CB 3.24Å; L17-N21 PolarHBondContact O-N 3.34Å |
| 18 | Y | 77.3 | Confident | 75 | Confident | 182 Ų | 182 | 105.6 Ų | 105.6 | 71% | 0.714 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.3 | -40.4 | 177.1 | -179.1 | -100 | 0 | 0 | 0 | 112.3 | Q14 I16 N21 S22 | Q14-Y18 WeakPolarHBondContact O-CB 3.45Å; Q14-Y18 PolarHBondContact O-N 3.05Å; I16-Y18 VanDerWaalsContact C-N 3.34Å; I16-Y18 PolarHBondContact O-N 3.31Å; Y18-N21 PolarHBondContact O-N 3.1Å; Y18-S22 PolarHBondContact O-N 2.6Å; Y18-S22 VanDerWaalsContact O-N 3.13Å; Y18-S22 PolarHBondContact O-OG 2.81Å |
| 19 | K | 77.1 | Confident | 74.1 | Confident | 149 Ų | 149 | 107.5 Ų | 107.5 | 65% | 0.648 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.4 | -41.7 | 179.5 | -165 | 171.9 | -178.5 | 179.6 | 0 | 111.8 | S15 I16 S22 V23 | S15-K19 WeakPolarHBondContact O-CB 3.44Å; S15-K19 PolarHBondContact O-N 2.66Å; S15-K19 VanDerWaalsContact O-N 3.12Å; I16-K19 PolarHBondContact O-N 2.8Å; K19-S22 PolarHBondContact O-N 2.81Å; K19-S22 PolarHBondContact O-OG 3.23Å; K19-V23 WeakPolarHBondContact O-CG2 3.32Å; K19-V23 PolarHBondContact O-N 3.49Å |
| 20 | E | 75.3 | Confident | 73 | Confident | 112 Ų | 112 | 110.4 Ų | 110.4 | 52% | 0.523 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -38.3 | 174.9 | -72.5 | -177.1 | 159.4 | 0 | 0 | 112 | I16 S22 V23 I24 | I16-E20 PolarHBondContact O-N 3.01Å; E20-S22 PolarHBondContact O-N 2.74Å; E20-V23 PolarHBondContact O-N 3.33Å; E20-I24 WeakPolarHBondContact O-CB 3.39Å; E20-I24 WeakPolarHBondContact O-CD1 3.34Å; E20-I24 WeakPolarHBondContact O-CG1 3.44Å; E20-I24 PolarHBondContact O-N 3.04Å |
| 21 | N | 68 | Low | 71.8 | Confident | 87 Ų | 87 | 112.4 Ų | 112.4 | 47% | 0.465 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.9 | -35.9 | 177.6 | -156.6 | -29 | 0 | 0 | 0 | 112.7 | L17 Y18 K25 | L17-N21 WeakPolarHBondContact O-CB 3.24Å; L17-N21 PolarHBondContact O-N 3.34Å; Y18-N21 PolarHBondContact O-N 3.1Å; N21-K25 WeakPolarHBondContact O-CB 3.4Å; N21-K25 PolarHBondContact O-N 3.5Å |
| 22 | S | 59.7 | Low | 71 | Confident | 67 Ų | 67 | 117.1 Ų | 117.1 | 47% | 0.469 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -74.8 | -23.5 | 175.2 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | Y18 K19 E20 K25 | Y18-S22 PolarHBondContact O-N 2.6Å; Y18-S22 VanDerWaalsContact O-N 3.13Å; Y18-S22 PolarHBondContact O-OG 2.81Å; K19-S22 PolarHBondContact O-N 2.81Å; K19-S22 PolarHBondContact O-OG 3.23Å; E20-S22 PolarHBondContact O-N 2.74Å; S22-K25 VanDerWaalsContact O-O 3.13Å |
| 23 | V | 61.8 | Low | 69.8 | Low | 110 Ų | 110 | 119.7 Ų | 119.7 | 67% | 0.667 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.7 | -35.9 | 171.9 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | K19 E20 | K19-V23 WeakPolarHBondContact O-CG2 3.32Å; K19-V23 PolarHBondContact O-N 3.49Å; E20-V23 PolarHBondContact O-N 3.33Å |
| 24 | I | 61.9 | Low | 69 | Low | 139 Ų | 139 | 118.7 Ų | 118.7 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.6 | -35.3 | 178.5 | -65.5 | 164.2 | 0 | 0 | 0 | 111.6 | E20 G26 | E20-I24 WeakPolarHBondContact O-CB 3.39Å; E20-I24 WeakPolarHBondContact O-CD1 3.34Å; E20-I24 WeakPolarHBondContact O-CG1 3.44Å; E20-I24 PolarHBondContact O-N 3.04Å; I24-G26 PolarHBondContact O-N 2.96Å |
| 25 | K | 60.8 | Low | 68.2 | Low | 156 Ų | 156 | 116.1 Ų | 116.1 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -75.2 | 75.9 | 164.1 | -75.4 | -178.1 | 177.8 | -179 | 0 | 108.3 | N21 S22 | N21-K25 WeakPolarHBondContact O-CB 3.4Å; N21-K25 PolarHBondContact O-N 3.5Å; S22-K25 VanDerWaalsContact O-O 3.13Å |
| 26 | G | 51.2 | Low | 67.5 | Low | 36 Ų | 36 | 121.6 Ų | 121.6 | 37% | 0.371 | 62% | 0.617 | S | S | . | * | trans | -42 | 143.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | I24 | I24-G26 PolarHBondContact O-N 2.96Š| ||
| 27 | N | 58.3 | Low | 66.8 | Low | 140 Ų | 140 | 124.8 Ų | 124.8 | 75% | 0.749 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 3.9 | 116.2 | 163.8 | -61 | 11.2 | 0 | 0 | 0 | 112.9 | F29 | N27-F29 WeakPolarHBondContact O-CD2 3.26Å; N27-F29 WeakPolarHBondContact O-CE2 3.42Å; N27-F29 WeakPolarHBondContact O-CG 3.24Å; N27-F29 PolarHBondContact O-N 2.99Å |
| 28 | A | 57.2 | Low | 66.1 | Low | 106 Ų | 106 | 126.8 Ų | 126.8 | 88% | 0.876 | 63% | 0.632 | S | S | * | * | trans | -40.2 | 92 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I30 | A28-I30 PolarHBondContact O-N 3.03Š| ||
| 29 | F | 57.9 | Low | 65.8 | Low | 160 Ų | 160 | 120.8 Ų | 120.8 | 70% | 0.702 | 61% | 0.612 | S | S | * | * | trans | -68.9 | 131.6 | 173.4 | -72.9 | -84.9 | 0 | 0 | 0 | 103 | N27 E31 | N27-F29 WeakPolarHBondContact O-CD2 3.26Å; N27-F29 WeakPolarHBondContact O-CE2 3.42Å; N27-F29 WeakPolarHBondContact O-CG 3.24Å; N27-F29 PolarHBondContact O-N 2.99Å; F29-E31 PolarHBondContact O-N 3.08Å | ||
| 30 | I | 63.6 | Low | 65.5 | Low | 140 Ų | 140 | 116.5 Ų | 116.5 | 72% | 0.718 | 60% | 0.6 | S | S | * | * | trans | -66 | 84.5 | 169.6 | -64.5 | 169.6 | 0 | 0 | 0 | 104.8 | A28 H32 Y33 | A28-I30 PolarHBondContact O-N 3.03Å; I30-H32 PolarHBondContact O-N 3.07Å; I30-H32 VanDerWaalsContact O-N 3.07Å; I30-Y33 PolarHBondContact O-N 3.29Å | ||
| 31 | E | 64.4 | Low | 65.1 | Low | 168 Ų | 168 | 119.6 Ų | 119.6 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -18.2 | -174.5 | -75.6 | 177.9 | 172.5 | 0 | 0 | 111.5 | F29 | F29-E31 PolarHBondContact O-N 3.08Š|
| 32 | H | 69.8 | Low | 64.9 | Low | 159 Ų | 159 | 123 Ų | 123 | 74% | 0.736 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 45.3 | -178.2 | -55 | 78.9 | 0 | 0 | 0 | 110.6 | I30 D34 | I30-H32 PolarHBondContact O-N 3.07Å; I30-H32 VanDerWaalsContact O-N 3.07Å; H32-D34 PolarHBondContact O-N 2.88Å; H32-D34 VanDerWaalsContact O-N 3.1Å |
| 33 | Y | 65.7 | Low | 65.1 | Low | 105 Ų | 105 | 125.1 Ų | 125.1 | 41% | 0.412 | 62% | 0.623 | S | S | . | * | trans | -76.3 | 92.8 | 168.1 | 179.5 | -103.6 | 0 | 0 | 0 | 108.3 | I30 P35 Y38 P40 | I30-Y33 PolarHBondContact O-N 3.29Å; Y33-P35 HydrophobicContact CD1-CG 4.34Å; Y33-P35 HydrophobicContact CE1-CB 4.35Å; Y33-P35 HydrophobicContact CE1-CG 3.86Å; Y33-P35 WeakPolarHBondContact O-CD 3.39Å; Y33-Y38 HydrophobicContact CE2-CD1 4.12Å; Y33-Y38 WeakPolarHBondContact CE2-O 3.28Å; Y33-Y38 PolarHBondContact OH-O 3.27Å; Y33-P40 HydrophobicContact CE2-CG 4.46Å; Y33-P40 WeakPolarHBondContact OH-CD 3.28Å | ||
| 34 | D | 73.9 | Confident | 65.1 | Low | 75 Ų | 75 | 124.1 Ų | 124.1 | 40% | 0.401 | 62% | 0.621 | S | S | . | * | trans | -87.9 | 113 | 168.5 | -170.7 | -10.7 | 0 | 0 | 0 | 109.2 | H32 K36 E37 Y38 | H32-D34 PolarHBondContact O-N 2.88Å; H32-D34 VanDerWaalsContact O-N 3.1Å; D34-K36 PolarHBondContact O-N 2.84Å; D34-K36 VanDerWaalsContact O-N 3.09Å; D34-K36 WeakPolarHBondContact OD1-CB 3.37Å; D34-K36 PolarHBondContact OD1-N 3.31Å; D34-E37 HydrophobicContact CB-CB 4.11Å; D34-E37 PolarHBondContact O-N 3.48Å; D34-Y38 PolarHBondContact O-N 2.9Å; D34-Y38 VanDerWaalsContact O-N 3.08Å | ||
| 35 | P | 72.5 | Confident | 65.3 | Low | 78 Ų | 78 | 123.8 Ų | 123.8 | 51% | 0.506 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -19.6 | 176.8 | -20.5 | 31.9 | 0 | 0 | 0 | 113.6 | Y33 | Y33-P35 HydrophobicContact CD1-CG 4.34Å; Y33-P35 HydrophobicContact CE1-CB 4.35Å; Y33-P35 HydrophobicContact CE1-CG 3.86Å; Y33-P35 WeakPolarHBondContact O-CD 3.39Å |
| 36 | K | 69.5 | Low | 65.5 | Low | 193 Ų | 193 | 125.8 Ų | 125.8 | 84% | 0.839 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -28.2 | 175.2 | -63 | 178.3 | -178.8 | 175.8 | 0 | 112.7 | D34 | D34-K36 PolarHBondContact O-N 2.84Å; D34-K36 VanDerWaalsContact O-N 3.09Å; D34-K36 WeakPolarHBondContact OD1-CB 3.37Å; D34-K36 PolarHBondContact OD1-N 3.31Å |
| 37 | E | 72.6 | Confident | 66.3 | Low | 164 Ų | 164 | 129.7 Ų | 129.7 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -40.4 | 179.2 | -171.6 | 174.3 | -178.1 | 0 | 0 | 111.2 | D34 | D34-E37 HydrophobicContact CB-CB 4.11Å; D34-E37 PolarHBondContact O-N 3.48Å |
| 38 | Y | 68.9 | Low | 67 | Low | 136 Ų | 136 | 128.6 Ų | 128.6 | 53% | 0.533 | 64% | 0.636 | S | S | . | * | trans | -146.3 | 104.3 | 178.4 | -175.4 | -106.8 | 0 | 0 | 0 | 111.3 | Y33 D34 P40 M43 | Y33-Y38 HydrophobicContact CE2-CD1 4.12Å; Y33-Y38 WeakPolarHBondContact CE2-O 3.28Å; Y33-Y38 PolarHBondContact OH-O 3.27Å; D34-Y38 PolarHBondContact O-N 2.9Å; D34-Y38 VanDerWaalsContact O-N 3.08Å; Y38-P40 HydrophobicContact CE1-CB 3.95Å; Y38-P40 WeakPolarHBondContact O-CD 3.45Å; Y38-M43 HydrophobicContact CE2-CE 4.39Å | ||
| 39 | D | 72.2 | Confident | 67.7 | Low | 57 Ų | 57 | 128.5 Ų | 128.5 | 31% | 0.305 | 62% | 0.62 | S | S | . | * | trans | -95.5 | 109.4 | 167.6 | 176.2 | 3.8 | 0 | 0 | 0 | 109.1 | F41 Y42 | D39-F41 PolarHBondContact O-N 3.24Å; D39-F41 WeakPolarHBondContact OD1-CA 3.25Å; D39-F41 WeakPolarHBondContact OD1-CB 3.48Å; D39-F41 PolarHBondContact OD1-N 3.18Å; D39-Y42 HydrophobicContact CB-CG 4.48Å; D39-Y42 WeakPolarHBondContact O-CA 3.22Å; D39-Y42 WeakPolarHBondContact O-CB 3.28Å; D39-Y42 PolarHBondContact O-N 3.5Å; D39-Y42 PolarHBondContact OD1-N 3.36Å | ||
| 40 | P | 70.3 | Confident | 68.4 | Low | 58 Ų | 58 | 125.4 Ų | 125.4 | 38% | 0.377 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.4 | -15.8 | -179.8 | 27.3 | -32 | 0 | 0 | 0 | 112.2 | Y33 Y38 | Y33-P40 HydrophobicContact CE2-CG 4.46Å; Y33-P40 WeakPolarHBondContact OH-CD 3.28Å; Y38-P40 HydrophobicContact CE1-CB 3.95Å; Y38-P40 WeakPolarHBondContact O-CD 3.45Å |
| 41 | F | 66.3 | Low | 68.9 | Low | 178 Ų | 178 | 125.3 Ų | 125.3 | 78% | 0.781 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -10.9 | 170.8 | -57.2 | -75.9 | 0 | 0 | 0 | 112.5 | D39 M43 | D39-F41 PolarHBondContact O-N 3.24Å; D39-F41 WeakPolarHBondContact OD1-CA 3.25Å; D39-F41 WeakPolarHBondContact OD1-CB 3.48Å; D39-F41 PolarHBondContact OD1-N 3.18Å; F41-M43 PolarHBondContact O-N 2.97Å |
| 42 | Y | 64.8 | Low | 69.6 | Low | 159 Ų | 159 | 123.8 Ų | 123.8 | 62% | 0.624 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 31.6 | 177.2 | -149.8 | -96.2 | 0 | 0 | 0 | 113.3 | D39 S44 | D39-Y42 HydrophobicContact CB-CG 4.48Å; D39-Y42 WeakPolarHBondContact O-CA 3.22Å; D39-Y42 WeakPolarHBondContact O-CB 3.28Å; D39-Y42 PolarHBondContact O-N 3.5Å; D39-Y42 PolarHBondContact OD1-N 3.36Å; Y42-S44 VanDerWaalsContact C-N 3.29Å |
| 43 | M | 63.5 | Low | 70.2 | Confident | 111 Ų | 111 | 122.2 Ų | 122.2 | 55% | 0.547 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -0.8 | 165.8 | -71.1 | -65.3 | 114.3 | 0 | 0 | 112.5 | Y38 F41 K45 F50 | Y38-M43 HydrophobicContact CE2-CE 4.39Å; F41-M43 PolarHBondContact O-N 2.97Å; M43-K45 PolarHBondContact O-N 3.06Å; M43-F50 WeakPolarHBondContact O-CZ 3.49Å |
| 44 | S | 62 | Low | 71 | Confident | 88 Ų | 88 | 122.6 Ų | 122.6 | 62% | 0.615 | 61% | 0.613 | S | S | * | * | trans | -79.7 | 53.7 | 172.5 | 73 | 0 | 0 | 0 | 0 | 111.7 | Y42 K46 | Y42-S44 VanDerWaalsContact C-N 3.29Å; S44-K46 PolarHBondContact O-N 2.96Å; S44-K46 VanDerWaalsContact O-N 3.11Å | ||
| 45 | K | 66 | Low | 71.4 | Confident | 133 Ų | 133 | 125.8 Ų | 125.8 | 58% | 0.578 | 63% | 0.628 | S | S | * | * | trans | -60 | 120.6 | 161.4 | -71.4 | -163.8 | -179.3 | -176.1 | 0 | 106.3 | M43 D47 F50 | M43-K45 PolarHBondContact O-N 3.06Å; K45-D47 PolarHBondContact O-N 3.41Å; K45-D47 VanDerWaalsContact O-N 3.15Å; K45-F50 HydrophobicContact CB-CB 4.32Å; K45-F50 HydrophobicContact CB-CD1 3.69Å; K45-F50 HydrophobicContact CB-CD2 4.43Å; K45-F50 HydrophobicContact CB-CE1 4.2Å; K45-F50 HydrophobicContact CB-CG 3.93Å; K45-F50 WeakPolarHBondContact O-CD1 3.46Å; K45-F50 WeakPolarHBondContact O-CE1 3.34Å | ||
| 46 | K | 64.9 | Low | 71.9 | Confident | 198 Ų | 198 | 126.7 Ų | 126.7 | 86% | 0.861 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -67.7 | -12.8 | -171.8 | -76.6 | 165.6 | 179.3 | 170.1 | 0 | 113.5 | S44 P48 | S44-K46 PolarHBondContact O-N 2.96Å; S44-K46 VanDerWaalsContact O-N 3.11Å; K46-P48 WeakPolarHBondContact O-CD 3.13Å |
| 47 | D | 67.6 | Low | 72.5 | Confident | 117 Ų | 117 | 122.3 Ų | 122.3 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | trans | -73.9 | 110.8 | -179 | -77.5 | -37.7 | 0 | 0 | 0 | 111.1 | K45 N49 F50 | K45-D47 PolarHBondContact O-N 3.41Å; K45-D47 VanDerWaalsContact O-N 3.15Å; D47-N49 PolarHBondContact O-N 2.99Å; D47-F50 WeakPolarHBondContact O-CD1 3.48Å; D47-F50 PolarHBondContact O-N 3.33Å | ||
| 48 | P | 73.8 | Confident | 72.9 | Confident | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -10.9 | -178.6 | -22.3 | 34.4 | 0 | 0 | 0 | 114.4 | K46 | K46-P48 WeakPolarHBondContact O-CD 3.13Š|
| 49 | N | 71.9 | Confident | 73.5 | Confident | 104 Ų | 104 | 123.8 Ų | 123.8 | 56% | 0.556 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -2.7 | -178.1 | -59 | -47.2 | 0 | 0 | 0 | 114.6 | D47 L51 K52 | D47-N49 PolarHBondContact O-N 2.99Å; N49-L51 PolarHBondContact O-N 2.91Å; N49-L51 VanDerWaalsContact O-N 3.12Å; N49-K52 HydrophobicContact CB-CB 4.39Å; N49-K52 PolarHBondContact O-N 3.09Å; N49-K52 WeakPolarHBondContact OD1-CD 3.48Å |
| 50 | F | 72.7 | Confident | 74.3 | Confident | 95 Ų | 95 | 123.5 Ų | 123.5 | 42% | 0.417 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.6 | -20.8 | -171.3 | 75.7 | -101.7 | 0 | 0 | 0 | 114.5 | M43 K45 D47 | M43-F50 WeakPolarHBondContact O-CZ 3.49Å; K45-F50 HydrophobicContact CB-CB 4.32Å; K45-F50 HydrophobicContact CB-CD1 3.69Å; K45-F50 HydrophobicContact CB-CD2 4.43Å; K45-F50 HydrophobicContact CB-CE1 4.2Å; K45-F50 HydrophobicContact CB-CG 3.93Å; K45-F50 WeakPolarHBondContact O-CD1 3.46Å; K45-F50 WeakPolarHBondContact O-CE1 3.34Å; D47-F50 WeakPolarHBondContact O-CD1 3.48Å; D47-F50 PolarHBondContact O-N 3.33Å |
| 51 | L | 73.1 | Confident | 75.4 | Confident | 138 Ų | 138 | 125.2 Ų | 125.2 | 72% | 0.723 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 9.3 | 173.8 | -81 | 164 | 0 | 0 | 0 | 112.7 | N49 V53 | N49-L51 PolarHBondContact O-N 2.91Å; N49-L51 VanDerWaalsContact O-N 3.12Å; L51-V53 PolarHBondContact O-N 3.04Å |
| 52 | K | 80.1 | Confident | 76.6 | Confident | 137 Ų | 137 | 123.3 Ų | 123.3 | 60% | 0.596 | 64% | 0.641 | S | S | * | * | trans | -77.7 | 89.4 | -173.9 | -171.8 | 178.4 | 179 | -178.9 | 0 | 110.2 | N49 T54 | N49-K52 HydrophobicContact CB-CB 4.39Å; N49-K52 PolarHBondContact O-N 3.09Å; N49-K52 WeakPolarHBondContact OD1-CD 3.48Å; K52-T54 PolarHBondContact O-N 2.95Å | ||
| 53 | V | 82.1 | Confident | 77.8 | Confident | 126 Ų | 126 | 122 Ų | 122 | 76% | 0.764 | 64% | 0.639 | S | S | * | * | trans | -68.4 | 111.3 | 167.1 | -179 | 0 | 0 | 0 | 0 | 107.8 | L51 I55 | L51-V53 PolarHBondContact O-N 3.04Å; V53-I55 HydrophobicContact CG1-CG1 4.26Å; V53-I55 PolarHBondContact O-N 3.47Å | ||
| 54 | T | 82.7 | Confident | 79.1 | Confident | 113 Ų | 113 | 122.8 Ų | 122.8 | 69% | 0.693 | 64% | 0.639 | S | S | * | * | trans | -88 | 105.2 | 172.7 | -53.2 | 0 | 0 | 0 | 0 | 107.6 | K52 | K52-T54 PolarHBondContact O-N 2.95Š| ||
| 55 | I | 82.1 | Confident | 80.6 | Confident | 142 Ų | 142 | 120.9 Ų | 120.9 | 73% | 0.728 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 124.1 | 171.8 | -55.4 | 173.7 | 0 | 0 | 0 | 106.7 | V53 | V53-I55 HydrophobicContact CG1-CG1 4.26Å; V53-I55 PolarHBondContact O-N 3.47Å |
| 56 | P | 82.9 | Confident | 81.8 | Confident | 97 Ų | 97 | 118.4 Ų | 118.4 | 63% | 0.63 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 150.5 | 175.7 | 26.1 | -33.3 | 0 | 0 | 0 | 109.9 | F58 | P56-F58 PolarHBondContact O-N 3.47Š|
| 57 | P | 82.9 | Confident | 83 | Confident | 100 Ų | 100 | 115.1 Ų | 115.1 | 65% | 0.649 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 127.2 | 174.1 | -23.8 | 33.4 | 0 | 0 | 0 | 110.1 | H59 | P57-H59 PolarHBondContact O-CD2 3.17Å; P57-H59 PolarHBondContact O-N 3.34Å; P57-H59 VanDerWaalsContact O-N 3.12Å |
| 58 | F | 80.6 | Confident | 84.3 | Confident | 184 Ų | 184 | 113.7 Ų | 113.7 | 81% | 0.807 | 59% | 0.594 | S | S | * | * | trans | -69 | 113.2 | 176.6 | -179.5 | -107.6 | 0 | 0 | 0 | 109.3 | P56 D60 | P56-F58 PolarHBondContact O-N 3.47Å; F58-D60 HydrophobicContact CD1-CB 4.48Å; F58-D60 HydrophobicContact CE1-CB 4.06Å; F58-D60 PolarHBondContact O-N 2.74Å | ||
| 59 | H | 80.4 | Confident | 85.3 | Confident | 147 Ų | 147 | 113.2 Ų | 113.2 | 68% | 0.681 | 58% | 0.58 | S | S | * | * | trans | -90.4 | 98.8 | 175.4 | -64.5 | -70.8 | 0 | 0 | 0 | 109.1 | P57 P61 | P57-H59 PolarHBondContact O-CD2 3.17Å; P57-H59 PolarHBondContact O-N 3.34Å; P57-H59 VanDerWaalsContact O-N 3.12Å; H59-P61 VanDerWaalsContact O-CD 3.32Å; H59-P61 WeakPolarHBondContact O-CD 3.41Å | ||
| 60 | D | 89.1 | Confident | 86.3 | Confident | 52 Ų | 52 | 108.7 Ų | 108.7 | 28% | 0.278 | 56% | 0.556 | S | S | . | * | trans | -65 | 118.8 | 171.6 | 177.5 | -8.7 | 0 | 0 | 0 | 109.5 | F58 L62 K63 K64 | F58-D60 HydrophobicContact CD1-CB 4.48Å; F58-D60 HydrophobicContact CE1-CB 4.06Å; F58-D60 PolarHBondContact O-N 2.74Å; D60-L62 PolarHBondContact O-N 3.27Å; D60-L62 WeakPolarHBondContact OD1-CB 3.44Å; D60-L62 PolarHBondContact OD1-N 3.24Å; D60-K63 HydrophobicContact CB-CB 4Å; D60-K63 HydrophobicContact CB-CG 3.77Å; D60-K63 PolarHBondContact O-N 2.78Å; D60-K63 VanDerWaalsContact O-N 3.08Å; D60-K63 WeakPolarHBondContact OD2-CG 3.4Å; D60-K64 PolarHBondContact O-N 3.39Å | ||
| 61 | P | 93.8 | Very high | 87.4 | Confident | 93 Ų | 93 | 108 Ų | 108 | 60% | 0.604 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -55 | -35.8 | 179.1 | -25.6 | 34.9 | 0 | 0 | 0 | 113.5 | H59 K64 A65 | H59-P61 VanDerWaalsContact O-CD 3.32Å; H59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-K64 PolarHBondContact O-N 3.12Å; P61-A65 WeakPolarHBondContact O-CB 3.25Å; P61-A65 PolarHBondContact O-N 3.25Å |
| 62 | L | 91.4 | Very high | 88.5 | Confident | 139 Ų | 139 | 107.5 Ų | 107.5 | 73% | 0.728 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70 | -39.1 | 179.2 | -64.5 | 177.3 | 0 | 0 | 0 | 111.4 | D60 Q66 | D60-L62 PolarHBondContact O-N 3.27Å; D60-L62 WeakPolarHBondContact OD1-CB 3.44Å; D60-L62 PolarHBondContact OD1-N 3.24Å; L62-Q66 PolarHBondContact O-N 2.86Å |
| 63 | K | 89.4 | Confident | 89.2 | Confident | 131 Ų | 131 | 105.4 Ų | 105.4 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.7 | -42.5 | 174.4 | -63.4 | -63.7 | 178.7 | -172 | 0 | 110.6 | D60 Q66 Y67 | D60-K63 HydrophobicContact CB-CB 4Å; D60-K63 HydrophobicContact CB-CG 3.77Å; D60-K63 PolarHBondContact O-N 2.78Å; D60-K63 VanDerWaalsContact O-N 3.08Å; D60-K63 WeakPolarHBondContact OD2-CG 3.4Å; K63-Q66 PolarHBondContact O-N 3.37Å; K63-Y67 HydrophobicContact CB-CE2 4.46Å; K63-Y67 WeakPolarHBondContact O-CD2 3.4Å; K63-Y67 PolarHBondContact O-N 3.11Å |
| 64 | K | 91.1 | Very high | 89.9 | Confident | 128 Ų | 128 | 101.7 Ų | 101.7 | 56% | 0.557 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58 | -52.1 | 176.9 | -172.3 | -171.2 | 172.9 | -164.3 | 0 | 111.2 | D60 P61 Q66 Y67 D68 | D60-K64 PolarHBondContact O-N 3.39Å; P61-K64 PolarHBondContact O-N 3.12Å; K64-Q66 PolarHBondContact O-N 3.31Å; K64-Y67 PolarHBondContact O-N 3.4Å; K64-D68 VanDerWaalsContact O-CG 3.28Å; K64-D68 PolarHBondContact O-N 2.75Å |
| 65 | A | 93.3 | Very high | 90.5 | Very high | 47 Ų | 47 | 99.2 Ų | 99.2 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.4 | -35.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P61 K69 | P61-A65 WeakPolarHBondContact O-CB 3.25Å; P61-A65 PolarHBondContact O-N 3.25Å; A65-K69 WeakPolarHBondContact O-CE 3.09Å; A65-K69 WeakPolarHBondContact O-CG 3.49Å; A65-K69 PolarHBondContact O-N 3.23Å |
| 66 | Q | 92.2 | Very high | 91.2 | Very high | 81 Ų | 81 | 97.1 Ų | 97.1 | 38% | 0.379 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -44.4 | 174.8 | -170.8 | 59.2 | 41.9 | 0 | 0 | 112.4 | L62 K63 K64 D68 K69 D70 | L62-Q66 PolarHBondContact O-N 2.86Å; K63-Q66 PolarHBondContact O-N 3.37Å; K64-Q66 PolarHBondContact O-N 3.31Å; Q66-D68 VanDerWaalsContact C-N 3.32Å; Q66-D68 PolarHBondContact O-N 3.36Å; Q66-K69 PolarHBondContact O-N 3.12Å; Q66-D70 PolarHBondContact NE2-OD1 3.23Å; Q66-D70 VanDerWaalsContact O-CG 3.26Å; Q66-D70 PolarHBondContact O-N 2.87Å |
| 67 | Y | 90.4 | Very high | 91.8 | Very high | 130 Ų | 130 | 94 Ų | 94 | 51% | 0.51 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.2 | -81.9 | -68.3 | 0 | 0 | 0 | 112.5 | K63 K64 D70 N71 | K63-Y67 HydrophobicContact CB-CE2 4.46Å; K63-Y67 WeakPolarHBondContact O-CD2 3.4Å; K63-Y67 PolarHBondContact O-N 3.11Å; K64-Y67 PolarHBondContact O-N 3.4Å; Y67-D70 PolarHBondContact O-N 3.35Å; Y67-N71 VanDerWaalsContact O-CB 3.25Å; Y67-N71 WeakPolarHBondContact O-CB 3.45Å; Y67-N71 PolarHBondContact O-N 2.9Å |
| 68 | D | 93.6 | Very high | 92.4 | Very high | 87 Ų | 87 | 91.7 Ų | 91.7 | 47% | 0.465 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 179.6 | -65.4 | -20.3 | 0 | 0 | 0 | 110.3 | K64 Q66 N71 E72 | K64-D68 VanDerWaalsContact O-CG 3.28Å; K64-D68 PolarHBondContact O-N 2.75Å; Q66-D68 VanDerWaalsContact C-N 3.32Å; Q66-D68 PolarHBondContact O-N 3.36Å; D68-N71 PolarHBondContact O-N 3.04Å; D68-E72 PolarHBondContact O-N 2.84Å |
| 69 | K | 94.4 | Very high | 93.1 | Very high | 107 Ų | 107 | 87.8 Ų | 87.8 | 47% | 0.465 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 174.3 | -71.8 | -178.1 | -69.4 | 175 | 0 | 113.1 | A65 Q66 N71 E72 K73 | A65-K69 WeakPolarHBondContact O-CE 3.09Å; A65-K69 WeakPolarHBondContact O-CG 3.49Å; A65-K69 PolarHBondContact O-N 3.23Å; Q66-K69 PolarHBondContact O-N 3.12Å; K69-N71 VanDerWaalsContact C-N 3.26Å; K69-N71 PolarHBondContact O-N 3.39Å; K69-E72 PolarHBondContact O-N 3.45Å; K69-K73 WeakPolarHBondContact O-CG 3.37Å; K69-K73 PolarHBondContact O-N 3.39Å; K69-K73 VanDerWaalsContact O-N 3.11Å |
| 70 | D | 94.7 | Very high | 93.8 | Very high | 8 Ų | 8 | 88.3 Ų | 88.3 | 4% | 0.043 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 177.7 | -70.2 | -4.1 | 0 | 0 | 0 | 110.7 | Q66 Y67 R74 F90 | Q66-D70 PolarHBondContact NE2-OD1 3.23Å; Q66-D70 VanDerWaalsContact O-CG 3.26Å; Q66-D70 PolarHBondContact O-N 2.87Å; Y67-D70 PolarHBondContact O-N 3.35Å; D70-R74 WeakPolarHBondContact O-CB 3.3Å; D70-R74 PolarHBondContact O-N 2.91Å; D70-F90 HydrophobicContact CB-CE1 4.23Å |
| 71 | N | 94.6 | Very high | 94 | Very high | 82 Ų | 82 | 88.6 Ų | 88.6 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 179.1 | -173.2 | 69 | 0 | 0 | 0 | 112.5 | Y67 D68 K69 R74 T75 | Y67-N71 VanDerWaalsContact O-CB 3.25Å; Y67-N71 WeakPolarHBondContact O-CB 3.45Å; Y67-N71 PolarHBondContact O-N 2.9Å; D68-N71 PolarHBondContact O-N 3.04Å; K69-N71 VanDerWaalsContact C-N 3.26Å; K69-N71 PolarHBondContact O-N 3.39Å; N71-R74 PolarHBondContact O-N 3.27Å; N71-T75 WeakPolarHBondContact O-CB 3.42Å; N71-T75 PolarHBondContact O-N 3.35Å; N71-T75 PolarHBondContact O-OG1 3.21Å |
| 72 | E | 96 | Very high | 94.1 | Very high | 126 Ų | 126 | 87.6 Ų | 87.6 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.6 | -54.1 | 174 | -174.9 | -174.7 | 173.4 | 0 | 0 | 111 | D68 K69 R74 T75 L76 | D68-E72 PolarHBondContact O-N 2.84Å; K69-E72 PolarHBondContact O-N 3.45Å; E72-R74 VanDerWaalsContact C-N 3.27Å; E72-R74 PolarHBondContact O-N 2.71Å; E72-T75 WeakPolarHBondContact O-CB 3.16Å; E72-T75 PolarHBondContact O-N 3.03Å; E72-L76 WeakPolarHBondContact O-CG 3.4Å; E72-L76 PolarHBondContact O-N 3.32Å |
| 73 | K | 95.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 87.5 Ų | 87.5 | 41% | 0.409 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.6 | -41.2 | 176.8 | -71.3 | 175.9 | 171.6 | -178.1 | 0 | 112.7 | K69 T75 L76 L77 F90 E94 | K69-K73 WeakPolarHBondContact O-CG 3.37Å; K69-K73 PolarHBondContact O-N 3.39Å; K69-K73 VanDerWaalsContact O-N 3.11Å; K73-T75 VanDerWaalsContact C-N 3.34Å; K73-L76 PolarHBondContact O-N 3.19Å; K73-L77 PolarHBondContact O-N 2.97Å; K73-F90 HydrophobicContact CB-CE1 4.47Å; K73-F90 HydrophobicContact CB-CE2 3.96Å; K73-F90 HydrophobicContact CB-CZ 3.5Å; K73-F90 VanDerWaalsContact CB-CZ 3.5Å; K73-F90 HydrophobicContact CD-CZ 4.12Å; K73-E94 IonicContact NZ-OE1 2.85Å; K73-E94 PolarHBondContact NZ-OE1 3.46Å |
| 74 | R | 96.6 | Very high | 94.6 | Very high | 47 Ų | 47 | 88.4 Ų | 88.4 | 18% | 0.177 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 176.6 | -179.7 | -174.4 | -168.5 | -163.5 | -7.4 | 111.5 | D70 N71 E72 L77 Q78 Y85 S86 F90 | D70-R74 WeakPolarHBondContact O-CB 3.3Å; D70-R74 PolarHBondContact O-N 2.91Å; N71-R74 PolarHBondContact O-N 3.27Å; E72-R74 VanDerWaalsContact C-N 3.27Å; E72-R74 PolarHBondContact O-N 2.71Å; R74-L77 PolarHBondContact O-N 2.84Å; R74-Q78 WeakPolarHBondContact O-CG 3.4Å; R74-Q78 PolarHBondContact O-N 2.93Å; R74-Y85 PolarHBondContact NE-O 3.36Å; R74-Y85 PolarHBondContact NH2-O 2.85Å; R74-S86 VanDerWaalsContact CZ-C 3.49Å; R74-F90 HydrophobicContact CB-CB 4.49Å; R74-F90 HydrophobicContact CB-CD1 4.37Å; R74-F90 HydrophobicContact CB-CD2 3.73Å; R74-F90 HydrophobicContact CB-CE2 4.05Å; R74-F90 HydrophobicContact CB-CG 3.91Å; R74-F90 HydrophobicContact CG-CB 4.14Å; R74-F90 HydrophobicContact CG-CD2 4.09Å; R74-F90 HydrophobicContact CG-CG 4.1Å |
| 75 | T | 96.1 | Very high | 94.8 | Very high | 62 Ų | 62 | 84.3 Ų | 84.3 | 38% | 0.38 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 177.2 | -56 | 0 | 0 | 0 | 0 | 110.6 | N71 E72 K73 L77 Q78 C79 | N71-T75 WeakPolarHBondContact O-CB 3.42Å; N71-T75 PolarHBondContact O-N 3.35Å; N71-T75 PolarHBondContact O-OG1 3.21Å; E72-T75 WeakPolarHBondContact O-CB 3.16Å; E72-T75 PolarHBondContact O-N 3.03Å; K73-T75 VanDerWaalsContact C-N 3.34Å; T75-L77 PolarHBondContact O-N 3.1Å; T75-Q78 WeakPolarHBondContact O-CB 3.44Å; T75-Q78 PolarHBondContact O-N 3.38Å; T75-C79 PolarHBondContact O-N 2.85Å; T75-C79 PolarHBondContact O-SG 2.8Å; T75-C79 VanDerWaalsContact O-SG 3.36Å |
| 76 | L | 96.6 | Very high | 94.9 | Very high | 98 Ų | 98 | 84.7 Ų | 84.7 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 174 | -67.5 | 172.2 | 0 | 0 | 0 | 111.7 | E72 K73 Q78 C79 E80 | E72-L76 WeakPolarHBondContact O-CG 3.4Å; E72-L76 PolarHBondContact O-N 3.32Å; K73-L76 PolarHBondContact O-N 3.19Å; L76-Q78 VanDerWaalsContact C-N 3.28Å; L76-Q78 PolarHBondContact O-N 2.98Å; L76-C79 WeakPolarHBondContact O-CB 3.34Å; L76-C79 PolarHBondContact O-N 3.2Å; L76-C79 VanDerWaalsContact O-N 3.1Å; L76-E80 WeakPolarHBondContact O-CG 3.38Å; L76-E80 PolarHBondContact O-N 3.48Å |
| 77 | L | 94.4 | Very high | 95 | Very high | 31 Ų | 31 | 83.1 Ų | 83.1 | 16% | 0.162 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60 | -37.8 | 177.1 | -177.7 | 69 | 0 | 0 | 0 | 112.4 | K73 R74 T75 E80 T81 Y85 F90 V93 | K73-L77 PolarHBondContact O-N 2.97Å; R74-L77 PolarHBondContact O-N 2.84Å; T75-L77 PolarHBondContact O-N 3.1Å; L77-E80 PolarHBondContact O-N 2.87Å; L77-T81 VanDerWaalsContact O-CB 3.28Å; L77-T81 WeakPolarHBondContact O-CB 3.23Å; L77-T81 PolarHBondContact O-N 3.41Å; L77-T81 PolarHBondContact O-OG1 2.75Å; L77-Y85 HydrophobicContact CD2-CD2 3.97Å; L77-Y85 HydrophobicContact CD2-CE2 3.93Å; L77-Y85 HydrophobicContact CD2-CG 4.4Å; L77-Y85 HydrophobicContact CG-CD2 4.19Å; L77-Y85 HydrophobicContact CG-CE2 3.92Å; L77-F90 HydrophobicContact CD2-CD2 3.96Å; L77-F90 HydrophobicContact CD2-CE2 4.36Å; L77-V93 HydrophobicContact CD2-CG1 4.09Å |
| 78 | Q | 96.3 | Very high | 95.2 | Very high | 51 Ų | 51 | 84.9 Ų | 84.9 | 24% | 0.238 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 176 | -70.9 | 178.4 | 3.2 | 0 | 0 | 111.5 | R74 T75 L76 G82 K83 Y85 | R74-Q78 WeakPolarHBondContact O-CG 3.4Å; R74-Q78 PolarHBondContact O-N 2.93Å; T75-Q78 WeakPolarHBondContact O-CB 3.44Å; T75-Q78 PolarHBondContact O-N 3.38Å; L76-Q78 VanDerWaalsContact C-N 3.28Å; L76-Q78 PolarHBondContact O-N 2.98Å; Q78-G82 VanDerWaalsContact O-CA 3.25Å; Q78-G82 WeakPolarHBondContact O-CA 3.49Å; Q78-G82 PolarHBondContact O-N 3.4Å; Q78-K83 WeakPolarHBondContact CA-O 3.4Å; Q78-K83 VanDerWaalsContact CG-O 3.28Å; Q78-K83 WeakPolarHBondContact CG-O 3.18Å; Q78-Y85 HydrophobicContact CG-CD2 3.93Å; Q78-Y85 PolarHBondContact NE2-O 3.24Å |
| 79 | C | 95.2 | Very high | 95.2 | Very high | 102 Ų | 102 | 85.2 Ų | 85.2 | 69% | 0.689 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.8 | -44 | 174.4 | -67 | 0 | 0 | 0 | 0 | 111.9 | T75 L76 | T75-C79 PolarHBondContact O-N 2.85Å; T75-C79 PolarHBondContact O-SG 2.8Å; T75-C79 VanDerWaalsContact O-SG 3.36Å; L76-C79 WeakPolarHBondContact O-CB 3.34Å; L76-C79 PolarHBondContact O-N 3.2Å; L76-C79 VanDerWaalsContact O-N 3.1Å |
| 80 | E | 94.3 | Very high | 95.3 | Very high | 159 Ų | 159 | 80.6 Ų | 80.6 | 74% | 0.743 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.7 | -41.4 | 178.6 | -71.8 | 176.6 | -175.2 | 0 | 0 | 112.2 | L76 L77 | L76-E80 WeakPolarHBondContact O-CG 3.38Å; L76-E80 PolarHBondContact O-N 3.48Å; L77-E80 PolarHBondContact O-N 2.87Å |
| 81 | T | 94.9 | Very high | 95.2 | Very high | 58 Ų | 58 | 84.9 Ų | 84.9 | 36% | 0.356 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -94.8 | -18.5 | -171.9 | -43.9 | 0 | 0 | 0 | 0 | 113.3 | L77 K83 Y85 | L77-T81 VanDerWaalsContact O-CB 3.28Å; L77-T81 WeakPolarHBondContact O-CB 3.23Å; L77-T81 PolarHBondContact O-N 3.41Å; L77-T81 PolarHBondContact O-OG1 2.75Å; T81-K83 HydrophobicContact CG2-CB 4.3Å; T81-K83 HydrophobicContact CG2-CD 4.19Å; T81-K83 HydrophobicContact CG2-CG 4.21Å; T81-K83 PolarHBondContact O-N 3.49Å; T81-Y85 HydrophobicContact CG2-CE2 4.31Å; T81-Y85 VanDerWaalsContact CG2-OH 3.26Å; T81-Y85 WeakPolarHBondContact CG2-OH 3.11Å |
| 82 | G | 96 | Very high | 95.2 | Very high | 72 Ų | 72 | 87.2 Ų | 87.2 | 74% | 0.742 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 67.1 | 16.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q78 | Q78-G82 VanDerWaalsContact O-CA 3.25Å; Q78-G82 WeakPolarHBondContact O-CA 3.49Å; Q78-G82 PolarHBondContact O-N 3.4Å |
| 83 | K | 95.3 | Very high | 95 | Very high | 136 Ų | 136 | 83.8 Ų | 83.8 | 59% | 0.591 | 44% | 0.435 | S | S | * | . | trans | -120.5 | 139.4 | -178.4 | -67.8 | -176 | -177.6 | 179.2 | 0 | 110.3 | Q78 T81 Y85 | Q78-K83 WeakPolarHBondContact CA-O 3.4Å; Q78-K83 VanDerWaalsContact CG-O 3.28Å; Q78-K83 WeakPolarHBondContact CG-O 3.18Å; T81-K83 HydrophobicContact CG2-CB 4.3Å; T81-K83 HydrophobicContact CG2-CD 4.19Å; T81-K83 HydrophobicContact CG2-CG 4.21Å; T81-K83 PolarHBondContact O-N 3.49Å; K83-Y85 HydrophobicContact CB-CE2 4.03Å; K83-Y85 VanDerWaalsContact O-CD2 3.24Å; K83-Y85 WeakPolarHBondContact O-CD2 3.32Å; K83-Y85 WeakPolarHBondContact O-CE2 3.01Å | ||
| 84 | I | 96 | Very high | 94.7 | Very high | 151 Ų | 151 | 81.6 Ų | 81.6 | 77% | 0.774 | 43% | 0.426 | S | S | * | . | trans | -80.5 | 126 | 174.8 | -57.4 | 172.6 | 0 | 0 | 0 | 108.6 | ||||
| 85 | Y | 95.1 | Very high | 94.3 | Very high | 42 Ų | 42 | 85.2 Ų | 85.2 | 17% | 0.165 | 44% | 0.444 | C | S | . | . | trans | -107.8 | 139.1 | 179.4 | -71.4 | -80.1 | 0 | 0 | 0 | 111.6 | R74 L77 Q78 T81 K83 E89 V93 | R74-Y85 PolarHBondContact NE-O 3.36Å; R74-Y85 PolarHBondContact NH2-O 2.85Å; L77-Y85 HydrophobicContact CD2-CD2 3.97Å; L77-Y85 HydrophobicContact CD2-CE2 3.93Å; L77-Y85 HydrophobicContact CD2-CG 4.4Å; L77-Y85 HydrophobicContact CG-CD2 4.19Å; L77-Y85 HydrophobicContact CG-CE2 3.92Å; Q78-Y85 HydrophobicContact CG-CD2 3.93Å; Q78-Y85 PolarHBondContact NE2-O 3.24Å; T81-Y85 HydrophobicContact CG2-CE2 4.31Å; T81-Y85 VanDerWaalsContact CG2-OH 3.26Å; T81-Y85 WeakPolarHBondContact CG2-OH 3.11Å; K83-Y85 HydrophobicContact CB-CE2 4.03Å; K83-Y85 VanDerWaalsContact O-CD2 3.24Å; K83-Y85 WeakPolarHBondContact O-CD2 3.32Å; K83-Y85 WeakPolarHBondContact O-CE2 3.01Å; Y85-E89 HydrophobicContact CD1-CB 4.19Å; Y85-V93 HydrophobicContact CE1-CG2 4.44Å | ||
| 86 | S | 95.8 | Very high | 94 | Very high | 54 Ų | 54 | 86.6 Ų | 86.6 | 38% | 0.378 | 45% | 0.452 | S | S | . | . | trans | -72.3 | 159.3 | 164.2 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | R74 K88 E89 F90 | R74-S86 VanDerWaalsContact CZ-C 3.49Å; S86-K88 PolarHBondContact O-N 3.43Å; S86-E89 WeakPolarHBondContact CB-OE2 3.44Å; S86-E89 PolarHBondContact N-OE2 3.42Å; S86-E89 PolarHBondContact O-N 2.89Å; S86-F90 WeakPolarHBondContact O-CB 2.95Å; S86-F90 PolarHBondContact O-N 3.34Å | ||
| 87 | I | 92.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 87.9 Ų | 87.9 | 25% | 0.251 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.6 | -30.6 | -179.5 | -160.4 | 78.6 | 0 | 0 | 0 | 110.2 | K91 | I87-K91 WeakPolarHBondContact O-CG 3.48Å; I87-K91 PolarHBondContact O-N 3.11Å |
| 88 | K | 94.4 | Very high | 92.7 | Very high | 167 Ų | 167 | 90.9 Ų | 90.9 | 73% | 0.726 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70.3 | -46.3 | 177.2 | -64.6 | -177.3 | 179.9 | 179.6 | 0 | 111 | S86 K91 E92 | S86-K88 PolarHBondContact O-N 3.43Å; K88-K91 PolarHBondContact O-N 2.97Å; K88-E92 PolarHBondContact O-N 2.95Å; K88-E92 VanDerWaalsContact O-N 3.11Å |
| 89 | E | 95.2 | Very high | 91.5 | Very high | 94 Ų | 94 | 92.3 Ų | 92.3 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 178.5 | -64.4 | 168.5 | 162.1 | 0 | 0 | 111 | Y85 S86 K91 E92 V93 | Y85-E89 HydrophobicContact CD1-CB 4.19Å; S86-E89 WeakPolarHBondContact CB-OE2 3.44Å; S86-E89 PolarHBondContact N-OE2 3.42Å; S86-E89 PolarHBondContact O-N 2.89Å; E89-K91 VanDerWaalsContact C-N 3.34Å; E89-K91 PolarHBondContact O-N 3.44Å; E89-E92 WeakPolarHBondContact O-CB 3.37Å; E89-E92 PolarHBondContact O-N 2.81Å; E89-E92 VanDerWaalsContact O-N 3.12Å; E89-V93 WeakPolarHBondContact O-CG2 3.32Å; E89-V93 PolarHBondContact O-N 3.02Å |
| 90 | F | 95.1 | Very high | 90.7 | Very high | 9 Ų | 9 | 92 Ų | 92 | 4% | 0.039 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 175.6 | 174.3 | -100.1 | 0 | 0 | 0 | 112.1 | D70 K73 R74 L77 S86 E92 V93 E94 | D70-F90 HydrophobicContact CB-CE1 4.23Å; K73-F90 HydrophobicContact CB-CE1 4.47Å; K73-F90 HydrophobicContact CB-CE2 3.96Å; K73-F90 HydrophobicContact CB-CZ 3.5Å; K73-F90 VanDerWaalsContact CB-CZ 3.5Å; K73-F90 HydrophobicContact CD-CZ 4.12Å; R74-F90 HydrophobicContact CB-CB 4.49Å; R74-F90 HydrophobicContact CB-CD1 4.37Å; R74-F90 HydrophobicContact CB-CD2 3.73Å; R74-F90 HydrophobicContact CB-CE2 4.05Å; R74-F90 HydrophobicContact CB-CG 3.91Å; R74-F90 HydrophobicContact CG-CB 4.14Å; R74-F90 HydrophobicContact CG-CD2 4.09Å; R74-F90 HydrophobicContact CG-CG 4.1Å; L77-F90 HydrophobicContact CD2-CD2 3.96Å; L77-F90 HydrophobicContact CD2-CE2 4.36Å; S86-F90 WeakPolarHBondContact O-CB 2.95Å; S86-F90 PolarHBondContact O-N 3.34Å; F90-E92 VanDerWaalsContact C-N 3.27Å; F90-E92 PolarHBondContact O-N 2.94Å; F90-V93 PolarHBondContact O-N 2.96Å; F90-E94 PolarHBondContact O-N 3.27Å |
| 91 | K | 93.8 | Very high | 89.9 | Confident | 98 Ų | 98 | 93.8 Ų | 93.8 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.9 | -32.4 | 176.9 | -74.1 | -178.4 | 179.8 | -169.8 | 0 | 113 | I87 K88 E89 K95 | I87-K91 WeakPolarHBondContact O-CG 3.48Å; I87-K91 PolarHBondContact O-N 3.11Å; K88-K91 PolarHBondContact O-N 2.97Å; E89-K91 VanDerWaalsContact C-N 3.34Å; E89-K91 PolarHBondContact O-N 3.44Å; K91-K95 VanDerWaalsContact O-CB 3.24Å; K91-K95 WeakPolarHBondContact O-CB 3.07Å; K91-K95 PolarHBondContact O-N 3.3Å |
| 92 | E | 94.1 | Very high | 88.5 | Confident | 131 Ų | 131 | 96.9 Ų | 96.9 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -70.2 | -43.9 | 174.4 | -172.8 | 172.1 | -174 | 0 | 0 | 111.5 | K88 E89 F90 K95 V96 | K88-E92 PolarHBondContact O-N 2.95Å; K88-E92 VanDerWaalsContact O-N 3.11Å; E89-E92 WeakPolarHBondContact O-CB 3.37Å; E89-E92 PolarHBondContact O-N 2.81Å; E89-E92 VanDerWaalsContact O-N 3.12Å; F90-E92 VanDerWaalsContact C-N 3.27Å; F90-E92 PolarHBondContact O-N 2.94Å; E92-K95 WeakPolarHBondContact O-CB 3.35Å; E92-K95 PolarHBondContact O-N 3.02Å; E92-V96 VanDerWaalsContact O-CG2 3.32Å; E92-V96 WeakPolarHBondContact O-CG2 3.44Å; E92-V96 PolarHBondContact O-N 2.98Å |
| 93 | V | 91.9 | Very high | 87.1 | Confident | 54 Ų | 54 | 98.8 Ų | 98.8 | 33% | 0.327 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 175.4 | 174 | 0 | 0 | 0 | 0 | 111.1 | L77 Y85 E89 F90 K95 V96 Q97 | L77-V93 HydrophobicContact CD2-CG1 4.09Å; Y85-V93 HydrophobicContact CE1-CG2 4.44Å; E89-V93 WeakPolarHBondContact O-CG2 3.32Å; E89-V93 PolarHBondContact O-N 3.02Å; F90-V93 PolarHBondContact O-N 2.96Å; V93-K95 VanDerWaalsContact C-N 3.29Å; V93-K95 PolarHBondContact O-N 2.95Å; V93-V96 PolarHBondContact O-N 3.15Å; V93-Q97 WeakPolarHBondContact O-CB 2.96Å; V93-Q97 PolarHBondContact O-N 2.97Å |
| 94 | E | 89.1 | Confident | 85.6 | Confident | 48 Ų | 48 | 99.7 Ų | 99.7 | 22% | 0.224 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -61.6 | -40 | 177.3 | -168.1 | 179.4 | -143.1 | 0 | 0 | 110.7 | K73 F90 Q97 L98 | K73-E94 IonicContact NZ-OE1 2.85Å; K73-E94 PolarHBondContact NZ-OE1 3.46Å; F90-E94 PolarHBondContact O-N 3.27Å; E94-Q97 PolarHBondContact O-N 3.35Å; E94-L98 WeakPolarHBondContact O-CB 3.43Å; E94-L98 VanDerWaalsContact O-CG 3.28Å; E94-L98 WeakPolarHBondContact O-CG 2.8Å; E94-L98 PolarHBondContact O-N 3.4Å |
| 95 | K | 88.5 | Confident | 83.9 | Confident | 124 Ų | 124 | 98.4 Ų | 98.4 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 173.9 | -179 | -178.4 | 176.9 | -170.7 | 0 | 111.8 | K91 E92 V93 Q97 L98 H99 | K91-K95 VanDerWaalsContact O-CB 3.24Å; K91-K95 WeakPolarHBondContact O-CB 3.07Å; K91-K95 PolarHBondContact O-N 3.3Å; E92-K95 WeakPolarHBondContact O-CB 3.35Å; E92-K95 PolarHBondContact O-N 3.02Å; V93-K95 VanDerWaalsContact C-N 3.29Å; V93-K95 PolarHBondContact O-N 2.95Å; K95-Q97 VanDerWaalsContact C-N 3.32Å; K95-Q97 PolarHBondContact O-N 3.05Å; K95-L98 PolarHBondContact O-N 2.97Å; K95-H99 VanDerWaalsContact CE-NE2 3.3Å; K95-H99 WeakPolarHBondContact CE-NE2 3.41Å; K95-H99 WeakPolarHBondContact CG-NE2 3.37Å; K95-H99 PolarHBondContact O-CD2 3.37Å; K95-H99 PolarHBondContact O-N 3.3Å |
| 96 | V | 89.3 | Confident | 82 | Confident | 90 Ų | 90 | 101.5 Ų | 101.5 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | E92 V93 H99 S100 | E92-V96 VanDerWaalsContact O-CG2 3.32Å; E92-V96 WeakPolarHBondContact O-CG2 3.44Å; E92-V96 PolarHBondContact O-N 2.98Å; V93-V96 PolarHBondContact O-N 3.15Å; V96-H99 CarbonylContact O-C 3.58Å; V96-H99 PolarHBondContact O-N 3.33Å; V96-S100 PolarHBondContact O-N 3.48Å |
| 97 | Q | 85.8 | Confident | 80.1 | Confident | 126 Ų | 126 | 105.3 Ų | 105.3 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.4 | -37.9 | 177.2 | -168.5 | 178.2 | 16.9 | 0 | 0 | 112.5 | V93 E94 K95 H99 S100 R101 | V93-Q97 WeakPolarHBondContact O-CB 2.96Å; V93-Q97 PolarHBondContact O-N 2.97Å; E94-Q97 PolarHBondContact O-N 3.35Å; K95-Q97 VanDerWaalsContact C-N 3.32Å; K95-Q97 PolarHBondContact O-N 3.05Å; Q97-H99 VanDerWaalsContact C-N 3.34Å; Q97-S100 PolarHBondContact O-N 3.09Å; Q97-S100 PolarHBondContact O-OG 3.38Å; Q97-R101 WeakPolarHBondContact O-CB 3.48Å; Q97-R101 PolarHBondContact O-N 3.47Å |
| 98 | L | 78.7 | Confident | 78.7 | Confident | 93 Ų | 93 | 104.3 Ų | 104.3 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 172.3 | -73.7 | 173.8 | 0 | 0 | 0 | 111.4 | E94 K95 S100 R101 F102 | E94-L98 WeakPolarHBondContact O-CB 3.43Å; E94-L98 VanDerWaalsContact O-CG 3.28Å; E94-L98 WeakPolarHBondContact O-CG 2.8Å; E94-L98 PolarHBondContact O-N 3.4Å; K95-L98 PolarHBondContact O-N 2.97Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.45Å; L98-R101 PolarHBondContact O-N 3.48Å; L98-F102 PolarHBondContact O-N 2.98Å |
| 99 | H | 71.2 | Confident | 77.5 | Confident | 81 Ų | 81 | 99.5 Ų | 99.5 | 38% | 0.375 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70 | -25.1 | 176.5 | -71.4 | -53.3 | 0 | 0 | 0 | 113.6 | K95 V96 Q97 F102 | K95-H99 VanDerWaalsContact CE-NE2 3.3Å; K95-H99 WeakPolarHBondContact CE-NE2 3.41Å; K95-H99 WeakPolarHBondContact CG-NE2 3.37Å; K95-H99 PolarHBondContact O-CD2 3.37Å; K95-H99 PolarHBondContact O-N 3.3Å; V96-H99 CarbonylContact O-C 3.58Å; V96-H99 PolarHBondContact O-N 3.33Å; Q97-H99 VanDerWaalsContact C-N 3.34Å; H99-F102 VanDerWaalsContact O-O 3.14Å |
| 100 | S | 78.8 | Confident | 76 | Confident | 97 Ų | 97 | 102.9 Ų | 102.9 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -80.7 | -35.1 | 172.5 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | V96 Q97 L98 | V96-S100 PolarHBondContact O-N 3.48Å; Q97-S100 PolarHBondContact O-N 3.09Å; Q97-S100 PolarHBondContact O-OG 3.38Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.45Å |
| 101 | R | 77 | Confident | 74.5 | Confident | 195 Ų | 195 | 109.7 Ų | 109.7 | 74% | 0.736 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.4 | -35.1 | -179.8 | -172.7 | 173.5 | -178.2 | 174.1 | 1.2 | 113 | Q97 L98 | Q97-R101 WeakPolarHBondContact O-CB 3.48Å; Q97-R101 PolarHBondContact O-N 3.47Å; L98-R101 PolarHBondContact O-N 3.48Å |
| 102 | F | 66.1 | Low | 73.7 | Confident | 123 Ų | 123 | 106.6 Ų | 106.6 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -122 | 125.8 | -177.9 | -63.3 | -74.3 | 0 | 0 | 0 | 110.6 | L98 H99 Q104 | L98-F102 PolarHBondContact O-N 2.98Å; H99-F102 VanDerWaalsContact O-O 3.14Å; F102-Q104 PolarHBondContact O-N 3.49Å |
| 103 | P | 66.4 | Low | 73 | Confident | 113 Ų | 113 | 103.5 Ų | 103.5 | 73% | 0.734 | 53% | 0.526 | S | S | * | . | trans | -52 | 134.8 | 170.5 | -21.6 | 30.4 | 0 | 0 | 0 | 109.3 | I105 | P103-I105 PolarHBondContact O-N 3.03Š| ||
| 104 | Q | 62.1 | Low | 72.4 | Confident | 154 Ų | 154 | 105.8 Ų | 105.8 | 72% | 0.72 | 54% | 0.542 | S | S | * | . | trans | -60.4 | 103.2 | 175.3 | -167.7 | 174.4 | 2.3 | 0 | 0 | 108.1 | F102 S106 | F102-Q104 PolarHBondContact O-N 3.49Å; Q104-S106 VanDerWaalsContact C-N 3.3Å; Q104-S106 PolarHBondContact O-N 3.45Å | ||
| 105 | I | 60.3 | Low | 72.1 | Confident | 125 Ų | 125 | 109.2 Ų | 109.2 | 64% | 0.641 | 56% | 0.562 | S | S | * | * | trans | -67.2 | 98.2 | 173.3 | -55.7 | 171.3 | 0 | 0 | 0 | 105.2 | P103 N107 S108 | P103-I105 PolarHBondContact O-N 3.03Å; I105-N107 PolarHBondContact O-N 3.08Å; I105-S108 WeakPolarHBondContact O-CB 3.43Å; I105-S108 PolarHBondContact O-N 2.92Å | ||
| 106 | S | 56.3 | Low | 71.8 | Confident | 106 Ų | 106 | 107.9 Ų | 107.9 | 74% | 0.741 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -18.5 | -176.7 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | Q104 | Q104-S106 VanDerWaalsContact C-N 3.3Å; Q104-S106 PolarHBondContact O-N 3.45Å |
| 107 | N | 56.6 | Low | 71.3 | Confident | 135 Ų | 135 | 109.2 Ų | 109.2 | 72% | 0.722 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 14.3 | 177.3 | -62.3 | -61.2 | 0 | 0 | 0 | 113.6 | I105 R109 | I105-N107 PolarHBondContact O-N 3.08Å; N107-R109 PolarHBondContact O-N 3.22Å |
| 108 | S | 63 | Low | 71 | Confident | 27 Ų | 27 | 110.2 Ų | 110.2 | 19% | 0.189 | 56% | 0.561 | C | S | . | * | trans | -68.4 | 125 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | I105 H110 | I105-S108 WeakPolarHBondContact O-CB 3.43Å; I105-S108 PolarHBondContact O-N 2.92Å; S108-H110 PolarHBondContact O-N 2.93Å; S108-H110 WeakPolarHBondContact OG-CB 3.19Å; S108-H110 PolarHBondContact OG-N 3.39Å; S108-H110 PolarHBondContact OG-ND1 3.24Å | ||
| 109 | R | 68.6 | Low | 71.2 | Confident | 67 Ų | 67 | 114 Ų | 114 | 25% | 0.253 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -76.6 | -4.7 | 175 | -57 | 177.6 | -165.1 | -131.3 | -3 | 113.3 | N107 F111 I112 W117 Y124 | N107-R109 PolarHBondContact O-N 3.22Å; R109-F111 PolarHBondContact O-N 3.3Å; R109-I112 HydrophobicContact CB-CD1 4.05Å; R109-I112 HydrophobicContact CG-CD1 4.24Å; R109-I112 PolarHBondContact O-N 3.18Å; R109-W117 HydrophobicContact CB-CH2 3.93Å; R109-W117 HydrophobicContact CB-CZ2 4.16Å; R109-Y124 HydrophobicContact CG-CE1 4.21Å; R109-Y124 VanDerWaalsContact NH1-CE1 3.26Å; R109-Y124 PolarHBondContact NH1-O 2.91Å; R109-Y124 PolarHBondContact NH2-O 3.18Å |
| 110 | H | 64.4 | Low | 71.3 | Confident | 165 Ų | 165 | 112.5 Ų | 112.5 | 76% | 0.764 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -68.1 | -15.1 | -172.1 | -60.8 | 85.9 | 0 | 0 | 0 | 113.5 | S108 | S108-H110 PolarHBondContact O-N 2.93Å; S108-H110 WeakPolarHBondContact OG-CB 3.19Å; S108-H110 PolarHBondContact OG-N 3.39Å; S108-H110 PolarHBondContact OG-ND1 3.24Å |
| 111 | F | 62.9 | Low | 71 | Confident | 151 Ų | 151 | 112.1 Ų | 112.1 | 66% | 0.662 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -112 | 9.1 | -178.1 | -58.5 | -72.7 | 0 | 0 | 0 | 114 | R109 T113 | R109-F111 PolarHBondContact O-N 3.3Å; F111-T113 PolarHBondContact O-N 3.09Å |
| 112 | I | 77.8 | Confident | 70.5 | Confident | 34 Ų | 34 | 109.2 Ų | 109.2 | 17% | 0.174 | 57% | 0.567 | C | S | . | * | trans | -76.5 | 125.4 | 179.7 | -62 | 178.1 | 0 | 0 | 0 | 108.8 | R109 E116 W117 L120 Y124 | R109-I112 HydrophobicContact CB-CD1 4.05Å; R109-I112 HydrophobicContact CG-CD1 4.24Å; R109-I112 PolarHBondContact O-N 3.18Å; I112-E116 HydrophobicContact CG2-CB 3.6Å; I112-W117 HydrophobicContact CB-CD2 4.44Å; I112-W117 HydrophobicContact CB-CZ2 4.23Å; I112-W117 HydrophobicContact CG2-CB 4.48Å; I112-W117 VanDerWaalsContact CG2-CD1 3.49Å; I112-W117 HydrophobicContact CG2-CD2 4Å; I112-W117 HydrophobicContact CG2-CG 3.76Å; I112-W117 PolarHBondContact O-NE1 2.88Å; I112-L120 HydrophobicContact CD1-CD1 4.05Å; I112-L120 HydrophobicContact CG2-CD1 4.38Å; I112-Y124 HydrophobicContact CD1-CE1 4.27Å | ||
| 113 | T | 77.8 | Confident | 70.3 | Confident | 66 Ų | 66 | 113 Ų | 113 | 41% | 0.405 | 58% | 0.578 | S | S | . | * | trans | -71.8 | 152.2 | 178.2 | 62 | 0 | 0 | 0 | 0 | 111.1 | F111 N115 E116 W117 | F111-T113 PolarHBondContact O-N 3.09Å; T113-N115 PolarHBondContact O-N 2.8Å; T113-E116 PolarHBondContact N-OE2 3.17Å; T113-E116 WeakPolarHBondContact O-CB 3.35Å; T113-E116 PolarHBondContact O-N 2.93Å; T113-E116 WeakPolarHBondContact OG1-CG 3.4Å; T113-E116 PolarHBondContact OG1-OE2 3.09Å; T113-W117 PolarHBondContact O-N 3.29Å; T113-W117 VanDerWaalsContact O-N 3.09Å | ||
| 114 | P | 79.3 | Confident | 69.9 | Low | 102 Ų | 102 | 111.4 Ų | 111.4 | 66% | 0.662 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -51.3 | -35.8 | -176.9 | -29.6 | 36 | 0 | 0 | 0 | 114.6 | W117 | P114-W117 WeakPolarHBondContact O-CB 3.42Å; P114-W117 PolarHBondContact O-N 3Å |
| 115 | N | 83.9 | Confident | 69.9 | Low | 119 Ų | 119 | 110.5 Ų | 110.5 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -76.6 | -28.7 | 178.8 | -68 | -29.8 | 0 | 0 | 0 | 113.4 | T113 W117 | T113-N115 PolarHBondContact O-N 2.8Å; N115-W117 VanDerWaalsContact C-N 3.34Å |
| 116 | E | 81.1 | Confident | 70 | Confident | 96 Ų | 96 | 107.5 Ų | 107.5 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -73 | -31.3 | 173.7 | -72.3 | 166.2 | 159.4 | 0 | 0 | 111.2 | I112 T113 L118 K119 | I112-E116 HydrophobicContact CG2-CB 3.6Å; T113-E116 PolarHBondContact N-OE2 3.17Å; T113-E116 WeakPolarHBondContact O-CB 3.35Å; T113-E116 PolarHBondContact O-N 2.93Å; T113-E116 WeakPolarHBondContact OG1-CG 3.4Å; T113-E116 PolarHBondContact OG1-OE2 3.09Å; E116-L118 PolarHBondContact O-N 3.18Å; E116-K119 PolarHBondContact O-N 3.02Å |
| 117 | W | 78.8 | Confident | 70.6 | Confident | 119 Ų | 119 | 105 Ų | 105 | 45% | 0.451 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56 | -38.6 | 173.5 | -79.3 | 98.3 | 0 | 0 | 0 | 112.5 | R109 I112 T113 P114 N115 K119 L120 | R109-W117 HydrophobicContact CB-CH2 3.93Å; R109-W117 HydrophobicContact CB-CZ2 4.16Å; I112-W117 HydrophobicContact CB-CD2 4.44Å; I112-W117 HydrophobicContact CB-CZ2 4.23Å; I112-W117 HydrophobicContact CG2-CB 4.48Å; I112-W117 VanDerWaalsContact CG2-CD1 3.49Å; I112-W117 HydrophobicContact CG2-CD2 4Å; I112-W117 HydrophobicContact CG2-CG 3.76Å; I112-W117 PolarHBondContact O-NE1 2.88Å; T113-W117 PolarHBondContact O-N 3.29Å; T113-W117 VanDerWaalsContact O-N 3.09Å; P114-W117 WeakPolarHBondContact O-CB 3.42Å; P114-W117 PolarHBondContact O-N 3Å; N115-W117 VanDerWaalsContact C-N 3.34Å; W117-K119 PolarHBondContact O-N 3.37Å; W117-L120 HydrophobicContact CD2-CD1 4.2Å; W117-L120 HydrophobicContact CE3-CD1 3.71Å; W117-L120 HydrophobicContact CZ3-CD1 4.22Å; W117-L120 WeakPolarHBondContact O-CB 3.33Å; W117-L120 PolarHBondContact O-N 3.49Å |
| 118 | L | 79.8 | Confident | 71.1 | Confident | 147 Ų | 147 | 103.2 Ų | 103.2 | 77% | 0.77 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -21.2 | 179.4 | -62.7 | 175.9 | 0 | 0 | 0 | 113.3 | E116 | E116-L118 PolarHBondContact O-N 3.18Š|
| 119 | K | 82.3 | Confident | 71.1 | Confident | 172 Ų | 172 | 107.2 Ų | 107.2 | 75% | 0.748 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -5.8 | 179.9 | -62.8 | 178.2 | -177.7 | 177.6 | 0 | 112.7 | E116 W117 | E116-K119 PolarHBondContact O-N 3.02Å; W117-K119 PolarHBondContact O-N 3.37Å |
| 120 | L | 73.7 | Confident | 70.9 | Confident | 50 Ų | 50 | 106.6 Ų | 106.6 | 26% | 0.262 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -75.1 | 133.8 | -176.7 | -67 | 168.4 | 0 | 0 | 0 | 110.9 | I112 W117 Y124 | I112-L120 HydrophobicContact CD1-CD1 4.05Å; I112-L120 HydrophobicContact CG2-CD1 4.38Å; W117-L120 HydrophobicContact CD2-CD1 4.2Å; W117-L120 HydrophobicContact CE3-CD1 3.71Å; W117-L120 HydrophobicContact CZ3-CD1 4.22Å; W117-L120 WeakPolarHBondContact O-CB 3.33Å; W117-L120 PolarHBondContact O-N 3.49Å; L120-Y124 HydrophobicContact CB-CD1 3.93Å; L120-Y124 HydrophobicContact CB-CG 4.22Å; L120-Y124 HydrophobicContact CD1-CD1 3.59Å; L120-Y124 HydrophobicContact CD1-CE1 3.54Å; L120-Y124 HydrophobicContact CD2-CD1 3.73Å; L120-Y124 HydrophobicContact CD2-CD2 4.22Å; L120-Y124 HydrophobicContact CD2-CE1 3.69Å; L120-Y124 HydrophobicContact CD2-CE2 4.17Å; L120-Y124 HydrophobicContact CD2-CG 4Å; L120-Y124 HydrophobicContact CG-CD1 3.94Å; L120-Y124 HydrophobicContact CG-CE1 4.12Å; L120-Y124 HydrophobicContact CG-CG 4.48Å |
| 121 | P | 73.6 | Confident | 71.1 | Confident | 89 Ų | 89 | 104.9 Ų | 104.9 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | trans | -56.2 | 144.3 | 174.6 | -23.5 | 31.8 | 0 | 0 | 0 | 111.4 | R123 Y124 | P121-R123 PolarHBondContact O-N 3.4Å; P121-Y124 WeakPolarHBondContact O-CA 3.35Å; P121-Y124 WeakPolarHBondContact O-CB 3.4Å; P121-Y124 PolarHBondContact O-N 2.88Å | ||
| 122 | T | 65.8 | Low | 71.4 | Confident | 133 Ų | 133 | 105.3 Ų | 105.3 | 82% | 0.816 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -56.9 | -27.4 | -179.3 | -41.3 | 0 | 0 | 0 | 0 | 113.2 | Y124 | T122-Y124 VanDerWaalsContact C-N 3.31Š|
| 123 | R | 61.8 | Low | 70.8 | Confident | 203 Ų | 203 | 111.9 Ų | 111.9 | 77% | 0.766 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -80.7 | -7.6 | 176.8 | -60 | -175.9 | -177.6 | -153.8 | 0.6 | 113.9 | P121 I125 | P121-R123 PolarHBondContact O-N 3.4Å; R123-I125 PolarHBondContact O-N 3.38Å |
| 124 | Y | 58.1 | Low | 70.2 | Confident | 80 Ų | 80 | 115.1 Ų | 115.1 | 31% | 0.314 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -68.6 | -20.2 | -179.1 | -179.4 | -100.2 | 0 | 0 | 0 | 112.3 | R109 I112 L120 P121 T122 E126 | R109-Y124 HydrophobicContact CG-CE1 4.21Å; R109-Y124 VanDerWaalsContact NH1-CE1 3.26Å; R109-Y124 PolarHBondContact NH1-O 2.91Å; R109-Y124 PolarHBondContact NH2-O 3.18Å; I112-Y124 HydrophobicContact CD1-CE1 4.27Å; L120-Y124 HydrophobicContact CB-CD1 3.93Å; L120-Y124 HydrophobicContact CB-CG 4.22Å; L120-Y124 HydrophobicContact CD1-CD1 3.59Å; L120-Y124 HydrophobicContact CD1-CE1 3.54Å; L120-Y124 HydrophobicContact CD2-CD1 3.73Å; L120-Y124 HydrophobicContact CD2-CD2 4.22Å; L120-Y124 HydrophobicContact CD2-CE1 3.69Å; L120-Y124 HydrophobicContact CD2-CE2 4.17Å; L120-Y124 HydrophobicContact CD2-CG 4Å; L120-Y124 HydrophobicContact CG-CD1 3.94Å; L120-Y124 HydrophobicContact CG-CE1 4.12Å; L120-Y124 HydrophobicContact CG-CG 4.48Å; P121-Y124 WeakPolarHBondContact O-CA 3.35Å; P121-Y124 WeakPolarHBondContact O-CB 3.4Å; P121-Y124 PolarHBondContact O-N 2.88Å; T122-Y124 VanDerWaalsContact C-N 3.31Å; Y124-E126 PolarHBondContact O-N 3.41Å; Y124-E126 VanDerWaalsContact O-N 3.1Å |
| 125 | I | 63.1 | Low | 69.6 | Low | 134 Ų | 134 | 116 Ų | 116 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -63 | -20.3 | -178.4 | -57.8 | 171.6 | 0 | 0 | 0 | 111.9 | R123 | R123-I125 PolarHBondContact O-N 3.38Š|
| 126 | E | 62.2 | Low | 68.5 | Low | 62 Ų | 62 | 117.6 Ų | 117.6 | 29% | 0.29 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -80.8 | 131.7 | -177.5 | -71.7 | -173 | -143.5 | 0 | 0 | 113.3 | Y124 C130 R134 | Y124-E126 PolarHBondContact O-N 3.41Å; Y124-E126 VanDerWaalsContact O-N 3.1Å; E126-C130 HydrophobicContact CB-CB 4.06Å; E126-C130 HydrophobicContact CG-CB 4.21Å; E126-R134 IonicContact OE1-CZ 3.73Å; E126-R134 IonicContact OE1-NE 3.23Å; E126-R134 PolarHBondContact OE1-NE 3.2Å; E126-R134 IonicContact OE1-NH1 2.81Å; E126-R134 PolarHBondContact OE1-NH1 3.34Å; E126-R134 IonicContact OE1-NH2 2.71Å; E126-R134 PolarHBondContact OE1-NH2 3.12Å; E126-R134 IonicContact OE2-CZ 3.13Å; E126-R134 IonicContact OE2-NE 2.74Å; E126-R134 PolarHBondContact OE2-NE 3.44Å; E126-R134 IonicContact OE2-NH1 3.77Å; E126-R134 IonicContact OE2-NH2 2.83Å; E126-R134 PolarHBondContact OE2-NH2 2.9Å |
| 127 | S | 68.9 | Low | 67.1 | Low | 54 Ų | 54 | 116.5 Ų | 116.5 | 38% | 0.378 | 56% | 0.555 | S | S | . | * | trans | -63.9 | 155.8 | 168.3 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | F129 C130 R131 | S127-F129 PolarHBondContact O-N 3.18Å; S127-C130 PolarHBondContact O-N 3.42Å; S127-C130 PolarHBondContact OG-N 3.12Å; S127-C130 PolarHBondContact OG-SG 3.2Å; S127-C130 VanDerWaalsContact OG-SG 3.39Å; S127-R131 PolarHBondContact O-N 3.46Å | ||
| 128 | E | 66 | Low | 65.9 | Low | 98 Ų | 98 | 116.3 Ų | 116.3 | 46% | 0.458 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -50.4 | -31.2 | 171.1 | -75.3 | -63.8 | 154.5 | 0 | 0 | 112.3 | R131 R132 | E128-R131 IonicContact OE1-CZ 3.62Å; E128-R131 IonicContact OE1-NE 2.81Å; E128-R131 IonicContact OE1-NH2 3.24Å; E128-R131 PolarHBondContact OE1-NH2 3.11Å; E128-R131 IonicContact OE2-CZ 3.31Å; E128-R131 VanDerWaalsContact OE2-CZ 3.31Å; E128-R131 IonicContact OE2-NE 2.6Å; E128-R131 PolarHBondContact OE2-NE 2.87Å; E128-R131 VanDerWaalsContact OE2-NE 3.13Å; E128-R131 IonicContact OE2-NH2 2.72Å; E128-R131 PolarHBondContact OE2-NH2 3.15Å; E128-R132 WeakPolarHBondContact O-CG 3.28Å; E128-R132 PolarHBondContact O-N 2.72Å |
| 129 | F | 64.1 | Low | 64.1 | Low | 111 Ų | 111 | 113.1 Ų | 113.1 | 49% | 0.487 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.4 | -48 | 175.6 | -175.5 | -101.7 | 0 | 0 | 0 | 113 | S127 R131 R132 R133 | S127-F129 PolarHBondContact O-N 3.18Å; F129-R131 VanDerWaalsContact C-N 3.33Å; F129-R131 PolarHBondContact O-N 2.96Å; F129-R132 PolarHBondContact O-N 2.99Å; F129-R133 VanDerWaalsContact CE1-CZ 3.41Å; F129-R133 VanDerWaalsContact CZ-NE 3.28Å; F129-R133 PolarHBondContact O-N 3.08Å |
| 130 | C | 64.2 | Low | 62.3 | Low | 54 Ų | 54 | 113.9 Ų | 113.9 | 37% | 0.365 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -37.9 | 176.4 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | E126 S127 R132 R133 R134 | E126-C130 HydrophobicContact CB-CB 4.06Å; E126-C130 HydrophobicContact CG-CB 4.21Å; S127-C130 PolarHBondContact O-N 3.42Å; S127-C130 PolarHBondContact OG-N 3.12Å; S127-C130 PolarHBondContact OG-SG 3.2Å; S127-C130 VanDerWaalsContact OG-SG 3.39Å; C130-R132 PolarHBondContact O-N 3.26Å; C130-R133 PolarHBondContact O-N 3.02Å; C130-R134 PolarHBondContact O-N 3.07Å; C130-R134 VanDerWaalsContact O-N 3.08Å |
| 131 | R | 67 | Low | 61.2 | Low | 129 Ų | 129 | 117.9 Ų | 117.9 | 49% | 0.487 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.6 | -45.8 | 174.3 | -167.7 | 173.8 | 73.9 | 138.6 | -2.1 | 111.7 | S127 E128 F129 N135 | S127-R131 PolarHBondContact O-N 3.46Å; E128-R131 IonicContact OE1-CZ 3.62Å; E128-R131 IonicContact OE1-NE 2.81Å; E128-R131 IonicContact OE1-NH2 3.24Å; E128-R131 PolarHBondContact OE1-NH2 3.11Å; E128-R131 IonicContact OE2-CZ 3.31Å; E128-R131 VanDerWaalsContact OE2-CZ 3.31Å; E128-R131 IonicContact OE2-NE 2.6Å; E128-R131 PolarHBondContact OE2-NE 2.87Å; E128-R131 VanDerWaalsContact OE2-NE 3.13Å; E128-R131 IonicContact OE2-NH2 2.72Å; E128-R131 PolarHBondContact OE2-NH2 3.15Å; F129-R131 VanDerWaalsContact C-N 3.33Å; F129-R131 PolarHBondContact O-N 2.96Å; R131-N135 PolarHBondContact O-N 3.2Å |
| 132 | R | 70.5 | Confident | 60 | Low | 159 Ų | 159 | 122.5 Ų | 122.5 | 60% | 0.6 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.5 | -41.3 | 176.3 | -74.1 | -178.3 | -147.4 | 134.5 | 2.9 | 112.5 | E128 F129 C130 N135 K136 | E128-R132 WeakPolarHBondContact O-CG 3.28Å; E128-R132 PolarHBondContact O-N 2.72Å; F129-R132 PolarHBondContact O-N 2.99Å; C130-R132 PolarHBondContact O-N 3.26Å; R132-N135 PolarHBondContact O-N 3.29Å; R132-K136 WeakPolarHBondContact O-CB 3.37Å; R132-K136 PolarHBondContact O-N 2.78Å |
| 133 | R | 64.5 | Low | 58.9 | Low | 173 Ų | 173 | 127.9 Ų | 127.9 | 65% | 0.653 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.6 | -44.3 | 178.7 | -76.2 | -170.5 | 176 | -162.9 | -1.9 | 112.7 | F129 C130 N135 K136 | F129-R133 VanDerWaalsContact CE1-CZ 3.41Å; F129-R133 VanDerWaalsContact CZ-NE 3.28Å; F129-R133 PolarHBondContact O-N 3.08Å; C130-R133 PolarHBondContact O-N 3.02Å; R133-N135 VanDerWaalsContact C-N 3.32Å; R133-N135 PolarHBondContact O-N 2.81Å; R133-K136 PolarHBondContact O-N 3.37Å; R133-K136 VanDerWaalsContact O-N 3.13Å |
| 134 | R | 66.3 | Low | 57.9 | Low | 133 Ų | 133 | 126 Ų | 126 | 50% | 0.502 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.7 | -40.4 | 176.3 | -75.1 | -166.5 | -61.4 | 171.2 | 6.1 | 112.5 | E126 C130 K136 G137 | E126-R134 IonicContact OE1-CZ 3.73Å; E126-R134 IonicContact OE1-NE 3.23Å; E126-R134 PolarHBondContact OE1-NE 3.2Å; E126-R134 IonicContact OE1-NH1 2.81Å; E126-R134 PolarHBondContact OE1-NH1 3.34Å; E126-R134 IonicContact OE1-NH2 2.71Å; E126-R134 PolarHBondContact OE1-NH2 3.12Å; E126-R134 IonicContact OE2-CZ 3.13Å; E126-R134 IonicContact OE2-NE 2.74Å; E126-R134 PolarHBondContact OE2-NE 3.44Å; E126-R134 IonicContact OE2-NH1 3.77Å; E126-R134 IonicContact OE2-NH2 2.83Å; E126-R134 PolarHBondContact OE2-NH2 2.9Å; C130-R134 PolarHBondContact O-N 3.07Å; C130-R134 VanDerWaalsContact O-N 3.08Å; R134-K136 VanDerWaalsContact C-N 3.25Å; R134-K136 PolarHBondContact O-N 3.2Å; R134-G137 PolarHBondContact O-N 3.44Å |
| 135 | N | 65.5 | Low | 57.1 | Low | 121 Ų | 121 | 127.8 Ų | 127.8 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.2 | -12.4 | 178.2 | -66.3 | -1.9 | 0 | 0 | 0 | 113.3 | R131 R132 R133 | R131-N135 PolarHBondContact O-N 3.2Å; R132-N135 PolarHBondContact O-N 3.29Å; R133-N135 VanDerWaalsContact C-N 3.32Å; R133-N135 PolarHBondContact O-N 2.81Å |
| 136 | K | 61.6 | Low | 56.2 | Low | 153 Ų | 153 | 128.1 Ų | 128.1 | 67% | 0.665 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -4.3 | 177.8 | -150.8 | 124.3 | -177.5 | 176.9 | 0 | 113.1 | R132 R133 R134 S138 | R132-K136 WeakPolarHBondContact O-CB 3.37Å; R132-K136 PolarHBondContact O-N 2.78Å; R133-K136 PolarHBondContact O-N 3.37Å; R133-K136 VanDerWaalsContact O-N 3.13Å; R134-K136 VanDerWaalsContact C-N 3.25Å; R134-K136 PolarHBondContact O-N 3.2Å; K136-S138 PolarHBondContact O-N 2.89Å |
| 137 | G | 52.4 | Low | 55 | Low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 1.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R134 | R134-G137 PolarHBondContact O-N 3.44Š|
| 138 | S | 52.5 | Low | 53.3 | Low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 2.6 | 177 | 68.2 | 0 | 0 | 0 | 0 | 114.8 | K136 | K136-S138 PolarHBondContact O-N 2.89Š|
| 139 | S | 41.1 | Very low | 52.2 | Low | 81 Ų | 81 | 142.4 Ų | 142.4 | 57% | 0.566 | 69% | 0.693 | S | S | * | * | trans | -123.2 | 78.3 | 168.2 | 65.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 140 | F | 46.4 | Very low | 50.8 | Low | 188 Ų | 188 | 145.2 Ų | 145.2 | 83% | 0.825 | 71% | 0.707 | S | S | * | * | trans | -54.5 | 136 | 158.8 | -178.3 | -109.8 | 0 | 0 | 0 | 108.3 | ||||
| 141 | L | 50.3 | Low | 49.6 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 96.8 | 120 | 177.1 | -49.4 | -177.4 | 0 | 0 | 0 | 117.1 | ||
| 142 | E | 48.1 | Very low | 48.2 | Very low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | trans | 69.8 | 87.5 | 164.4 | -70.9 | -175.8 | 144.3 | 0 | 0 | 118.7 | ||||
| 143 | R | 42.8 | Very low | 46.6 | Very low | 246 Ų | 246 | 146.6 Ų | 146.6 | 93% | 0.928 | 75% | 0.748 | S | S | * | * | -169.4 | 111 | 117.2 | -102 | 172.7 | -154.8 | -139.4 | 5 | 109.6 | |||||
| 144 | E | 40.6 | Very low | 45.4 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | trans | -67.4 | 127.7 | 169.5 | -167 | -177.8 | -156.2 | 0 | 0 | 109.7 | L146 | E144-L146 PolarHBondContact O-N 3.2Š| ||
| 145 | P | 41.5 | Very low | 43.8 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -82.5 | 102.4 | 163.2 | 3.6 | 14.9 | 0 | 0 | 0 | 108 | C147 | P145-C147 PolarHBondContact O-N 2.85Å; P145-C147 VanDerWaalsContact O-N 3.12Å | ||
| 146 | L | 43.8 | Very low | 42.6 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -59 | 108.7 | 167.2 | -71.1 | 172.1 | 0 | 0 | 0 | 110.1 | E144 | E144-L146 PolarHBondContact O-N 3.2Š| ||
| 147 | C | 37.9 | Very low | 41.4 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | -164.3 | 73.9 | 144.5 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | P145 | P145-C147 PolarHBondContact O-N 2.85Å; P145-C147 VanDerWaalsContact O-N 3.12Å | ||
| 148 | Y | 32.8 | Very low | 40.9 | Very low | 232 Ų | 232 | 149 Ų | 149 | 91% | 0.91 | 79% | 0.786 | S | S | * | * | trans | -145.9 | 107.2 | 143.3 | -95.2 | -82.8 | 0 | 0 | 0 | 106.2 | E150 | Y148-E150 PolarHBondContact O-N 2.71Š| ||
| 149 | Q | 43.3 | Very low | 40 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -82.2 | 111.6 | 166 | -72.6 | -65.4 | -31.2 | 0 | 0 | 106.6 | G151 | Q149-G151 PolarHBondContact O-N 2.92Š| ||
| 150 | E | 34.8 | Very low | 39.6 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -64.5 | 106.2 | 178.1 | -168.8 | 164.8 | -173.6 | 0 | 0 | 109.1 | Y148 N152 | Y148-E150 PolarHBondContact O-N 2.71Å; E150-N152 PolarHBondContact O-N 3.09Å | ||
| 151 | G | 37.8 | Very low | 39.1 | Very low | 67 Ų | 67 | 148.1 Ų | 148.1 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 118.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q149 | Q149-G151 PolarHBondContact O-N 2.92Š|
| 152 | N | 38 | Very low | 38.5 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 132.3 | 179.1 | -67.5 | -48.1 | 0 | 0 | 0 | 113.4 | E150 | E150-N152 PolarHBondContact O-N 3.09Š|
| 153 | N | 35.8 | Very low | 38.2 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 148.8 | 173.4 | -63.4 | -69.5 | 0 | 0 | 0 | 112.5 | ||
| 154 | P | 39.7 | Very low | 37.7 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -125.2 | 124.2 | 131.3 | 33.5 | -24.3 | 0 | 0 | 0 | 112.5 | ||||
| 155 | S | 32.9 | Very low | 37.6 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 66.2 | 116.3 | 139.3 | -158.4 | 0 | 0 | 0 | 0 | 119 | K157 | S155-K157 PolarHBondContact O-N 3.1Š| ||
| 156 | A | 40.8 | Very low | 37.1 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -50.7 | 125.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 157 | K | 37 | Very low | 36.5 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -149 | 137 | 148.3 | -48.6 | -71.6 | 162.4 | -170 | 0 | 108.3 | S155 | S155-K157 PolarHBondContact O-N 3.1Š| ||
| 158 | E | 41.4 | Very low | 36.3 | Very low | 200 Ų | 200 | 144.1 Ų | 144.1 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -56.8 | 140.3 | -177.8 | -61 | 157.9 | 140.4 | 0 | 0 | 113.4 | ||||
| 159 | A | 32.6 | Very low | 36.2 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -165.9 | 104 | 150.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 160 | I | 33 | Very low | 35.6 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | 17 | 114.5 | 140.5 | 32.1 | 173.4 | 0 | 0 | 0 | 117.3 | E162 | I160-E162 PolarHBondContact O-N 3.08Š| ||
| 161 | S | 37.3 | Very low | 35.7 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -68.6 | 104.2 | 170.2 | 58.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 162 | E | 37 | Very low | 35.6 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -103 | 115.4 | 154.9 | -68.4 | -166.2 | 178.2 | 0 | 0 | 108.1 | I160 Y164 | I160-E162 PolarHBondContact O-N 3.08Å; E162-Y164 PolarHBondContact O-N 2.99Å | ||
| 163 | G | 41.4 | Very low | 35.3 | Very low | 83 Ų | 83 | 141 Ų | 141 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -65.4 | 102.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F165 | G163-F165 PolarHBondContact O-N 3.25Š| ||
| 164 | Y | 33.3 | Very low | 35.1 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | -86.8 | 98.4 | 162.9 | -87 | -95.9 | 0 | 0 | 0 | 109.4 | E162 S166 | E162-Y164 PolarHBondContact O-N 2.99Å; Y164-S166 VanDerWaalsContact C-N 3.35Å; Y164-S166 PolarHBondContact O-N 3.07Å; Y164-S166 VanDerWaalsContact O-N 3.09Å | ||
| 165 | F | 37.3 | Very low | 34.9 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -68.4 | 95.8 | 158 | -158.5 | -91.2 | 0 | 0 | 0 | 107 | G163 S167 | G163-F165 PolarHBondContact O-N 3.25Å; F165-S167 PolarHBondContact O-N 2.71Å | ||
| 166 | S | 31.1 | Very low | 35.2 | Very low | 103 Ų | 103 | 148.9 Ų | 148.9 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 106.2 | 173.1 | -79.3 | 0 | 0 | 0 | 0 | 109.7 | Y164 | Y164-S166 VanDerWaalsContact C-N 3.35Å; Y164-S166 PolarHBondContact O-N 3.07Å; Y164-S166 VanDerWaalsContact O-N 3.09Å | ||
| 167 | S | 31.2 | Very low | 35 | Very low | 92 Ų | 92 | 150.8 Ų | 150.8 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -36.3 | 134 | 160 | 39.9 | 0 | 0 | 0 | 0 | 112.8 | F165 S169 | F165-S167 PolarHBondContact O-N 2.71Å; S167-S169 PolarHBondContact O-N 2.6Å | ||
| 168 | L | 33.9 | Very low | 35.4 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -58.8 | 117.5 | 157.5 | -74.8 | 163.2 | 0 | 0 | 0 | 107.5 | L170 | L168-L170 PolarHBondContact O-N 3.41Š| ||
| 169 | S | 31.8 | Very low | 35.4 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -58.7 | 102.7 | 174.2 | -38.4 | 0 | 0 | 0 | 0 | 109.1 | S167 S171 | S167-S169 PolarHBondContact O-N 2.6Å; S169-S171 PolarHBondContact O-N 2.9Å | ||
| 170 | L | 28.8 | Very low | 35.7 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -53.5 | 122.7 | 151.9 | -166.2 | 76.8 | 0 | 0 | 0 | 105.5 | L168 Q172 | L168-L170 PolarHBondContact O-N 3.41Å; L170-Q172 PolarHBondContact O-N 2.9Å | ||
| 171 | S | 38.6 | Very low | 36.2 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -54.2 | 103 | 175.6 | -61.5 | 0 | 0 | 0 | 0 | 108.8 | S169 E173 | S169-S171 PolarHBondContact O-N 2.9Å; S171-E173 VanDerWaalsContact C-N 3.26Å; S171-E173 PolarHBondContact O-N 2.88Å | ||
| 172 | Q | 34.3 | Very low | 36.3 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -69.7 | 89.9 | 167.5 | -172.4 | 109.7 | -1.4 | 0 | 0 | 105.9 | L170 R174 | L170-Q172 PolarHBondContact O-N 2.9Å; Q172-R174 PolarHBondContact O-N 3.24Å | ||
| 173 | E | 33 | Very low | 36.7 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -65.8 | 118.5 | 155.7 | -66.6 | -168 | 165.7 | 0 | 0 | 105.6 | S171 E175 | S171-E173 VanDerWaalsContact C-N 3.26Å; S171-E173 PolarHBondContact O-N 2.88Å; E173-E175 PolarHBondContact O-N 3.18Å; E173-E175 VanDerWaalsContact O-N 3.09Å | ||
| 174 | R | 30.6 | Very low | 37 | Very low | 219 Ų | 219 | 139.6 Ų | 139.6 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | -60.5 | 115 | 178.4 | -79.3 | -173.9 | -73.4 | -133.2 | -2.1 | 108.2 | Q172 E176 | Q172-R174 PolarHBondContact O-N 3.24Å; R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 PolarHBondContact O-N 2.96Å; R174-E176 VanDerWaalsContact O-N 3.08Å | ||
| 175 | E | 35.7 | Very low | 37.9 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -61.6 | 96.2 | 154.1 | -162.6 | 167.2 | -148.1 | 0 | 0 | 106.1 | E173 D177 | E173-E175 PolarHBondContact O-N 3.18Å; E173-E175 VanDerWaalsContact O-N 3.09Å; E175-D177 VanDerWaalsContact C-N 3.35Å; E175-D177 PolarHBondContact O-N 3.35Å | ||
| 176 | E | 38.7 | Very low | 38.6 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | trans | -79.1 | 97 | 155.6 | -80.3 | -173.2 | 172.6 | 0 | 0 | 105.7 | R174 Q178 | R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 PolarHBondContact O-N 2.96Å; R174-E176 VanDerWaalsContact O-N 3.08Å; E176-Q178 PolarHBondContact O-N 2.98Å | ||
| 177 | D | 37.8 | Very low | 39.7 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | trans | -58.9 | 92.6 | 156.4 | -76.7 | -38 | 0 | 0 | 0 | 107 | E175 | E175-D177 VanDerWaalsContact C-N 3.35Å; E175-D177 PolarHBondContact O-N 3.35Å | ||
| 178 | Q | 44.7 | Very low | 41 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | -97 | 94.5 | 149.5 | -68.6 | -151.4 | 24.1 | 0 | 0 | 106.9 | E176 G180 | E176-Q178 PolarHBondContact O-N 2.98Å; Q178-G180 PolarHBondContact O-N 3.13Å | ||
| 179 | D | 41.1 | Very low | 42.5 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 86% | 0.856 | 70% | 0.703 | S | S | * | * | trans | -51.5 | 74.4 | 147.4 | 47.8 | -39 | 0 | 0 | 0 | 110.3 | ||||
| 180 | G | 40 | Very low | 44.5 | Very low | 53 Ų | 53 | 132.4 Ų | 132.4 | 55% | 0.546 | 69% | 0.688 | S | S | . | * | trans | -125.3 | 97.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q178 C182 | Q178-G180 PolarHBondContact O-N 3.13Å; G180-C182 PolarHBondContact O-N 3.41Å | ||
| 181 | S | 42.8 | Very low | 46.3 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | trans | -50.3 | 94.6 | 173.4 | 53 | 0 | 0 | 0 | 0 | 111.9 | S183 | S181-S183 PolarHBondContact O-N 3.45Š| ||
| 182 | C | 40 | Very low | 47.9 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 66% | 0.655 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 30.1 | 179.7 | -159.3 | 0 | 0 | 0 | 0 | 112.5 | G180 | G180-C182 PolarHBondContact O-N 3.41Š|
| 183 | S | 45.1 | Very low | 50 | Low | 98 Ų | 98 | 128.9 Ų | 128.9 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -7.1 | 176.7 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | S181 | S181-S183 PolarHBondContact O-N 3.45Š|
| 184 | V | 46.8 | Very low | 51.9 | Low | 85 Ų | 85 | 124 Ų | 124 | 52% | 0.515 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -105 | -25.2 | -179.1 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 185 | S | 53.5 | Low | 53.8 | Low | 50 Ų | 50 | 116.3 Ų | 116.3 | 35% | 0.35 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -79.1 | -30.5 | -173.3 | -38.7 | 0 | 0 | 0 | 0 | 113.9 | L187 E188 W189 | S185-L187 VanDerWaalsContact C-N 3.34Å; S185-L187 PolarHBondContact O-N 3.04Å; S185-E188 PolarHBondContact O-N 3.19Å; S185-W189 PolarHBondContact O-N 3Å |
| 186 | Q | 50.4 | Low | 55.1 | Low | 144 Ų | 144 | 112.4 Ų | 112.4 | 67% | 0.673 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.2 | -31.2 | -172.7 | -145.8 | 174.2 | -6.6 | 0 | 0 | 112.7 | I190 | Q186-I190 WeakPolarHBondContact O-CD1 3.31Å; Q186-I190 VanDerWaalsContact O-CG1 3.3Å; Q186-I190 WeakPolarHBondContact O-CG1 3.39Å; Q186-I190 PolarHBondContact O-N 3.38Å |
| 187 | L | 54.7 | Low | 56.1 | Low | 119 Ų | 119 | 108 Ų | 108 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -77.3 | -36.1 | 175.3 | -74.3 | 167.3 | 0 | 0 | 0 | 112.1 | S185 W189 I190 Q191 | S185-L187 VanDerWaalsContact C-N 3.34Å; S185-L187 PolarHBondContact O-N 3.04Å; L187-W189 PolarHBondContact O-N 3.45Å; L187-I190 PolarHBondContact O-N 3.12Å; L187-Q191 WeakPolarHBondContact O-CB 3.5Å; L187-Q191 VanDerWaalsContact O-CG 3.23Å; L187-Q191 WeakPolarHBondContact O-CG 3.43Å; L187-Q191 PolarHBondContact O-N 3.32Å |
| 188 | E | 59.4 | Low | 56.9 | Low | 125 Ų | 125 | 106 Ų | 106 | 58% | 0.584 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.9 | -38.6 | 177.7 | -73.1 | -176.3 | 153.2 | 0 | 0 | 112.5 | S185 Q191 A192 | S185-E188 PolarHBondContact O-N 3.19Å; E188-Q191 PolarHBondContact O-N 3.05Å; E188-A192 WeakPolarHBondContact O-CB 3.41Å; E188-A192 PolarHBondContact O-N 3.44Å |
| 189 | W | 65.3 | Low | 57.4 | Low | 206 Ų | 206 | 104 Ų | 104 | 78% | 0.78 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.2 | -37.5 | 177.1 | -81.5 | 75.8 | 0 | 0 | 0 | 113 | S185 L187 Q191 A192 W193 | S185-W189 PolarHBondContact O-N 3Å; L187-W189 PolarHBondContact O-N 3.45Å; W189-Q191 VanDerWaalsContact C-N 3.34Å; W189-A192 PolarHBondContact O-N 2.91Å; W189-W193 PolarHBondContact O-N 3.47Å |
| 190 | I | 72.9 | Confident | 57.9 | Low | 91 Ų | 91 | 101.6 Ų | 101.6 | 47% | 0.467 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.3 | -40.6 | 174.5 | -67.2 | 168.5 | 0 | 0 | 0 | 110.3 | Q186 L187 W193 L194 | Q186-I190 WeakPolarHBondContact O-CD1 3.31Å; Q186-I190 VanDerWaalsContact O-CG1 3.3Å; Q186-I190 WeakPolarHBondContact O-CG1 3.39Å; Q186-I190 PolarHBondContact O-N 3.38Å; L187-I190 PolarHBondContact O-N 3.12Å; I190-W193 PolarHBondContact O-N 3.02Å; I190-L194 HydrophobicContact CG2-CD1 4.18Å; I190-L194 WeakPolarHBondContact O-CG 3.22Å; I190-L194 PolarHBondContact O-N 3.46Å; I190-L194 VanDerWaalsContact O-N 3.09Å |
| 191 | Q | 67.4 | Low | 58.4 | Low | 124 Ų | 124 | 109.9 Ų | 109.9 | 58% | 0.579 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67 | -40.2 | 176 | -68.9 | -66.2 | -24.7 | 0 | 0 | 112.1 | L187 E188 W189 W193 L194 A195 | L187-Q191 WeakPolarHBondContact O-CB 3.5Å; L187-Q191 VanDerWaalsContact O-CG 3.23Å; L187-Q191 WeakPolarHBondContact O-CG 3.43Å; L187-Q191 PolarHBondContact O-N 3.32Å; E188-Q191 PolarHBondContact O-N 3.05Å; W189-Q191 VanDerWaalsContact C-N 3.34Å; Q191-W193 VanDerWaalsContact C-N 3.35Å; Q191-W193 PolarHBondContact O-N 3Å; Q191-L194 PolarHBondContact O-N 3.35Å; Q191-A195 WeakPolarHBondContact O-CB 3.4Å; Q191-A195 PolarHBondContact O-N 3.3Å |
| 192 | A | 71.7 | Confident | 58.6 | Low | 58 Ų | 58 | 110.8 Ų | 110.8 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.9 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E188 W189 S196 | E188-A192 WeakPolarHBondContact O-CB 3.41Å; E188-A192 PolarHBondContact O-N 3.44Å; W189-A192 PolarHBondContact O-N 2.91Å; A192-S196 PolarHBondContact O-N 3.48Å |
| 193 | W | 78.2 | Confident | 58.8 | Low | 186 Ų | 186 | 114.5 Ų | 114.5 | 71% | 0.705 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.2 | -43.6 | 175.7 | -173.3 | 80.4 | 0 | 0 | 0 | 112.3 | W189 I190 Q191 A195 S196 A197 | W189-W193 PolarHBondContact O-N 3.47Å; I190-W193 PolarHBondContact O-N 3.02Å; Q191-W193 VanDerWaalsContact C-N 3.35Å; Q191-W193 PolarHBondContact O-N 3Å; W193-A195 PolarHBondContact O-N 3Å; W193-S196 PolarHBondContact O-N 3.42Å; W193-A197 WeakPolarHBondContact O-CB 3.41Å; W193-A197 PolarHBondContact O-N 3.04Å |
| 194 | L | 74 | Confident | 58.5 | Low | 79 Ų | 79 | 115.9 Ų | 115.9 | 41% | 0.414 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.6 | -36.4 | 175.7 | -75.3 | 168.5 | 0 | 0 | 0 | 112.9 | I190 Q191 S198 | I190-L194 HydrophobicContact CG2-CD1 4.18Å; I190-L194 WeakPolarHBondContact O-CG 3.22Å; I190-L194 PolarHBondContact O-N 3.46Å; I190-L194 VanDerWaalsContact O-N 3.09Å; Q191-L194 PolarHBondContact O-N 3.35Å; L194-S198 PolarHBondContact O-N 2.92Å; L194-S198 VanDerWaalsContact O-N 3.15Å; L194-S198 PolarHBondContact O-OG 3.05Å |
| 195 | A | 69.9 | Low | 58.1 | Low | 57 Ų | 57 | 119.1 Ų | 119.1 | 47% | 0.471 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.1 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q191 W193 S198 T199 | Q191-A195 WeakPolarHBondContact O-CB 3.4Å; Q191-A195 PolarHBondContact O-N 3.3Å; W193-A195 PolarHBondContact O-N 3Å; A195-S198 PolarHBondContact O-N 2.72Å; A195-T199 PolarHBondContact O-N 3.41Å; A195-T199 PolarHBondContact O-OG1 3.4Å |
| 196 | S | 62.8 | Low | 57.5 | Low | 85 Ų | 85 | 123.8 Ų | 123.8 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.2 | -42.7 | 172.6 | -98 | 0 | 0 | 0 | 0 | 112.3 | A192 W193 S198 T199 | A192-S196 PolarHBondContact O-N 3.48Å; W193-S196 PolarHBondContact O-N 3.42Å; S196-S198 VanDerWaalsContact C-N 3.26Å; S196-S198 PolarHBondContact O-N 3.31Å; S196-T199 PolarHBondContact O-N 3.25Å |
| 197 | A | 60.2 | Low | 57.2 | Low | 59 Ų | 59 | 121.7 Ų | 121.7 | 49% | 0.488 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.1 | -28.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W193 | W193-A197 WeakPolarHBondContact O-CB 3.41Å; W193-A197 PolarHBondContact O-N 3.04Å |
| 198 | S | 55.2 | Low | 56.6 | Low | 90 Ų | 90 | 122 Ų | 122 | 63% | 0.629 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.3 | -22.8 | 179.3 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | L194 A195 S196 | L194-S198 PolarHBondContact O-N 2.92Å; L194-S198 VanDerWaalsContact O-N 3.15Å; L194-S198 PolarHBondContact O-OG 3.05Å; A195-S198 PolarHBondContact O-N 2.72Å; S196-S198 VanDerWaalsContact C-N 3.26Å; S196-S198 PolarHBondContact O-N 3.31Å |
| 199 | T | 54.4 | Low | 55.9 | Low | 118 Ų | 118 | 124.9 Ų | 124.9 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.7 | -15.6 | -177.3 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | A195 S196 | A195-T199 PolarHBondContact O-N 3.41Å; A195-T199 PolarHBondContact O-OG1 3.4Å; S196-T199 PolarHBondContact O-N 3.25Å |
| 200 | S | 52.2 | Low | 54.8 | Low | 109 Ų | 109 | 122.8 Ų | 122.8 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 4.3 | -178.6 | -53.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 201 | R | 49.9 | Very low | 53.9 | Low | 226 Ų | 226 | 123.9 Ų | 123.9 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | trans | -119.3 | 62 | 178.8 | -164.8 | 179.6 | -99.7 | -137.8 | -2.6 | 112.2 | ||||
| 202 | T | 47.2 | Very low | 53.2 | Low | 121 Ų | 121 | 131 Ų | 131 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | trans | -151.9 | 78.7 | 154.1 | -46.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 203 | Q | 43.3 | Very low | 52.3 | Low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -130.7 | 91 | 153.8 | -85.1 | -83.3 | 9.8 | 0 | 0 | 105.3 | I205 | Q203-I205 PolarHBondContact O-N 3.4Š| ||
| 204 | V | 39.3 | Very low | 50.9 | Low | 127 Ų | 127 | 131.9 Ų | 131.9 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | -71.7 | 102.3 | 168.6 | 174.2 | 0 | 0 | 0 | 0 | 106.2 | L206 | V204-L206 PolarHBondContact O-N 3.43Š| ||
| 205 | I | 38.7 | Very low | 49.7 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -74.2 | 113.9 | 169.3 | -65.6 | 165.7 | 0 | 0 | 0 | 107.1 | Q203 | Q203-I205 PolarHBondContact O-N 3.4Š| ||
| 206 | L | 41.1 | Very low | 48.5 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 134.1 | 170.6 | -150.7 | 78.6 | 0 | 0 | 0 | 109.1 | V204 | V204-L206 PolarHBondContact O-N 3.43Š|
| 207 | P | 43.6 | Very low | 47.6 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 148.8 | 177.6 | 30.9 | -32.7 | 0 | 0 | 0 | 111.5 | ||
| 208 | P | 41.4 | Very low | 46.7 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 134.9 | 177.1 | 31 | -30.5 | 0 | 0 | 0 | 110.9 | ||
| 209 | Q | 44.7 | Very low | 46.1 | Very low | 185 Ų | 185 | 152.6 Ų | 152.6 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 133.1 | 173.3 | -68.5 | -74.7 | -11.6 | 0 | 0 | 110.3 | ||
| 210 | L | 42.1 | Very low | 45.5 | Very low | 161 Ų | 161 | 155.3 Ų | 155.3 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 140.4 | 172.2 | -105.6 | 138.7 | 0 | 0 | 0 | 110 | ||
| 211 | P | 54.2 | Low | 44.9 | Very low | 115 Ų | 115 | 159.2 Ų | 159.2 | 75% | 0.747 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 143.4 | 172 | 33.5 | -29.7 | 0 | 0 | 0 | 111.7 | ||
| 212 | E | 53.8 | Low | 44.5 | Very low | 273 Ų | 273 | 153.1 Ų | 153.1 | 100% | 1.276 | 83% | 0.826 | S | S | * | * | trans | -83.2 | 0 | 158.1 | -76.2 | -170 | 157.6 | 0 | 0 | 111 |
Retrieved 212 of 212 residues in 90.6 ms
(Link to these results)