| 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 | 45.7 | Very low | 72.4 | Confident | 241 Ų | 241 | 112.5 Ų | 112.5 | 100% | 1.187 | 63% | 0.63 | S | S | * | * | 0 | 116.9 | 0 | -76 | 169.9 | 117.7 | 0 | 0 | 108.3 | K3 | M1-K3 PolarHBondContact O-N 2.88Š| |||
| 2 | S | 56.7 | Low | 73.1 | Confident | 122 Ų | 122 | 113.4 Ų | 113.4 | 85% | 0.853 | 62% | 0.623 | S | S | * | * | trans | -61.4 | 119.8 | 175.8 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | S4 | S2-S4 PolarHBondContact O-N 3.49Å; S2-S4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | K | 63.6 | Low | 73.8 | Confident | 201 Ų | 201 | 114.8 Ų | 114.8 | 87% | 0.874 | 62% | 0.619 | S | S | * | * | trans | -60.4 | 114.7 | 169.3 | -73.5 | 177.1 | 177.9 | 176.5 | 0 | 107 | M1 S5 | M1-K3 PolarHBondContact O-N 2.88Å; K3-S5 PolarHBondContact O-N 3.04Å | ||
| 4 | S | 64.8 | Low | 74.5 | Confident | 62 Ų | 62 | 115 Ų | 115 | 43% | 0.434 | 62% | 0.62 | S | S | . | * | trans | -63.9 | 119.4 | 172.5 | 50.9 | 0 | 0 | 0 | 0 | 108.5 | S2 L6 F11 | S2-S4 PolarHBondContact O-N 3.49Å; S2-S4 VanDerWaalsContact O-N 3.12Å; S4-L6 PolarHBondContact O-N 3.27Å; S4-F11 WeakPolarHBondContact OG-CD2 3.22Å; S4-F11 WeakPolarHBondContact OG-CE2 3Å | ||
| 5 | S | 76.2 | Confident | 75.4 | Confident | 120 Ų | 120 | 114.4 Ų | 114.4 | 84% | 0.839 | 61% | 0.609 | S | S | * | * | trans | -76.2 | 8.6 | 177.2 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | K3 | K3-S5 PolarHBondContact O-N 3.04Š| ||
| 6 | L | 75.8 | Confident | 76.2 | Confident | 89 Ų | 89 | 119.4 Ų | 119.4 | 47% | 0.466 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -76.4 | 141.4 | -176.6 | -63.2 | 174.8 | 0 | 0 | 0 | 110.3 | S4 T10 | S4-L6 PolarHBondContact O-N 3.27Å; L6-T10 HydrophobicContact CB-CG2 4.47Å; L6-T10 HydrophobicContact CD1-CG2 4.32Å; L6-T10 HydrophobicContact CD2-CG2 4.39Å |
| 7 | P | 84.7 | Confident | 76.9 | Confident | 77 Ų | 77 | 121.5 Ų | 121.5 | 50% | 0.5 | 62% | 0.621 | S | S | . | * | trans | -50.9 | 142.9 | 166.9 | -25.4 | 34 | 0 | 0 | 0 | 110.8 | D9 T10 F11 | P7-D9 PolarHBondContact O-N 3.33Å; P7-D9 VanDerWaalsContact O-N 3.1Å; P7-T10 WeakPolarHBondContact O-CA 3.18Å; P7-T10 WeakPolarHBondContact O-CB 3.35Å; P7-T10 PolarHBondContact O-N 2.84Å; P7-F11 PolarHBondContact O-N 2.99Å | ||
| 8 | V | 82.7 | Confident | 77.7 | Confident | 97 Ų | 97 | 120.6 Ų | 120.6 | 59% | 0.588 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -51 | -40.3 | -173.9 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | T10 F11 F12 | V8-T10 VanDerWaalsContact C-N 3.32Å; V8-T10 PolarHBondContact O-N 3.02Å; V8-F11 WeakPolarHBondContact O-CB 3.21Å; V8-F11 PolarHBondContact O-N 2.97Å; V8-F12 HydrophobicContact CG1-CD2 3.75Å; V8-F12 HydrophobicContact CG1-CE2 3.49Å; V8-F12 VanDerWaalsContact CG1-CE2 3.49Å; V8-F12 VanDerWaalsContact O-CD2 3.28Å; V8-F12 WeakPolarHBondContact O-CD2 2.97Å; V8-F12 PolarHBondContact O-N 3.17Å; V8-F12 VanDerWaalsContact O-N 3.13Å |
| 9 | D | 82.9 | Confident | 78.2 | Confident | 110 Ų | 110 | 121.3 Ų | 121.3 | 59% | 0.588 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.6 | -36.9 | 179.2 | -18.2 | -64 | 0 | 0 | 0 | 112.4 | P7 K13 | P7-D9 PolarHBondContact O-N 3.33Å; P7-D9 VanDerWaalsContact O-N 3.1Å; D9-K13 WeakPolarHBondContact O-CD 3.43Å; D9-K13 WeakPolarHBondContact O-CG 3.37Å; D9-K13 PolarHBondContact O-N 3.26Å |
| 10 | T | 83.1 | Confident | 78.8 | Confident | 49 Ų | 49 | 119.9 Ų | 119.9 | 30% | 0.301 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -75.8 | -36.8 | 178.3 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | L6 P7 V8 K13 N14 | L6-T10 HydrophobicContact CB-CG2 4.47Å; L6-T10 HydrophobicContact CD1-CG2 4.32Å; L6-T10 HydrophobicContact CD2-CG2 4.39Å; P7-T10 WeakPolarHBondContact O-CA 3.18Å; P7-T10 WeakPolarHBondContact O-CB 3.35Å; P7-T10 PolarHBondContact O-N 2.84Å; V8-T10 VanDerWaalsContact C-N 3.32Å; V8-T10 PolarHBondContact O-N 3.02Å; T10-K13 PolarHBondContact O-N 3.28Å; T10-N14 PolarHBondContact O-N 3.16Å |
| 11 | F | 80.3 | Confident | 79.6 | Confident | 69 Ų | 69 | 117.8 Ų | 117.8 | 30% | 0.303 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.2 | -52.3 | 176.7 | 179.1 | -98 | 0 | 0 | 0 | 111.5 | S4 P7 V8 K13 N14 F15 | S4-F11 WeakPolarHBondContact OG-CD2 3.22Å; S4-F11 WeakPolarHBondContact OG-CE2 3Å; P7-F11 PolarHBondContact O-N 2.99Å; V8-F11 WeakPolarHBondContact O-CB 3.21Å; V8-F11 PolarHBondContact O-N 2.97Å; F11-K13 VanDerWaalsContact C-N 3.3Å; F11-K13 PolarHBondContact O-N 3.4Å; F11-N14 CarbonylContact O-C 3.59Å; F11-N14 PolarHBondContact O-N 3.47Å; F11-N14 VanDerWaalsContact O-N 3.16Å; F11-F15 HydrophobicContact CD1-CD2 4.45Å; F11-F15 AromaticContact CE1-CD2 3.65Å; F11-F15 HydrophobicContact CE1-CD2 3.65Å; F11-F15 AromaticContact CE1-CE2 3.97Å; F11-F15 HydrophobicContact CE1-CE2 3.97Å; F11-F15 HydrophobicContact CE2-CD2 4.15Å; F11-F15 HydrophobicContact CE2-CE2 4.4Å; F11-F15 AromaticContact CZ-CD2 3.49Å; F11-F15 HydrophobicContact CZ-CD2 3.49Å; F11-F15 VanDerWaalsContact CZ-CD2 3.49Å; F11-F15 AromaticContact CZ-CE2 3.56Å; F11-F15 HydrophobicContact CZ-CE2 3.56Å; F11-F15 PolarHBondContact O-N 3.26Å |
| 12 | F | 81.1 | Confident | 81.9 | Confident | 124 Ų | 124 | 108.9 Ų | 108.9 | 54% | 0.544 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.7 | -30.3 | 179.2 | -74 | -66 | 0 | 0 | 0 | 113.2 | V8 N14 | V8-F12 HydrophobicContact CG1-CD2 3.75Å; V8-F12 HydrophobicContact CG1-CE2 3.49Å; V8-F12 VanDerWaalsContact CG1-CE2 3.49Å; V8-F12 VanDerWaalsContact O-CD2 3.28Å; V8-F12 WeakPolarHBondContact O-CD2 2.97Å; V8-F12 PolarHBondContact O-N 3.17Å; V8-F12 VanDerWaalsContact O-N 3.13Å; F12-N14 VanDerWaalsContact C-N 3.27Å; F12-N14 PolarHBondContact O-N 3.45Å |
| 13 | K | 82.3 | Confident | 83.7 | Confident | 131 Ų | 131 | 109.8 Ų | 109.8 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.8 | -31.9 | 174.1 | -79.1 | 172.5 | -173.4 | 175.4 | 0 | 112.7 | D9 T10 F11 K19 | D9-K13 WeakPolarHBondContact O-CD 3.43Å; D9-K13 WeakPolarHBondContact O-CG 3.37Å; D9-K13 PolarHBondContact O-N 3.26Å; T10-K13 PolarHBondContact O-N 3.28Å; F11-K13 VanDerWaalsContact C-N 3.3Å; F11-K13 PolarHBondContact O-N 3.4Å; K13-K19 WeakPolarHBondContact O-CE 3.47Å; K13-K19 PolarHBondContact O-NZ 3.44Å |
| 14 | N | 83.3 | Confident | 85.3 | Confident | 118 Ų | 118 | 103.1 Ų | 103.1 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 14.6 | -172.2 | -64.6 | -25.5 | 0 | 0 | 0 | 113.5 | T10 F11 F12 R16 | T10-N14 PolarHBondContact O-N 3.16Å; F11-N14 CarbonylContact O-C 3.59Å; F11-N14 PolarHBondContact O-N 3.47Å; F11-N14 VanDerWaalsContact O-N 3.16Å; F12-N14 VanDerWaalsContact C-N 3.27Å; F12-N14 PolarHBondContact O-N 3.45Å; N14-R16 PolarHBondContact O-N 3.04Å |
| 15 | F | 88.2 | Confident | 86.6 | Confident | 106 Ų | 106 | 105.6 Ų | 105.6 | 47% | 0.465 | 53% | 0.533 | S | S | . | . | trans | -64.8 | 129 | 178.5 | -162.1 | -98.5 | 0 | 0 | 0 | 111 | F11 L18 | F11-F15 HydrophobicContact CD1-CD2 4.45Å; F11-F15 AromaticContact CE1-CD2 3.65Å; F11-F15 HydrophobicContact CE1-CD2 3.65Å; F11-F15 AromaticContact CE1-CE2 3.97Å; F11-F15 HydrophobicContact CE1-CE2 3.97Å; F11-F15 HydrophobicContact CE2-CD2 4.15Å; F11-F15 HydrophobicContact CE2-CE2 4.4Å; F11-F15 AromaticContact CZ-CD2 3.49Å; F11-F15 HydrophobicContact CZ-CD2 3.49Å; F11-F15 VanDerWaalsContact CZ-CD2 3.49Å; F11-F15 AromaticContact CZ-CE2 3.56Å; F11-F15 HydrophobicContact CZ-CE2 3.56Å; F11-F15 PolarHBondContact O-N 3.26Å; F15-L18 HydrophobicContact CB-CB 4.19Å; F15-L18 HydrophobicContact CB-CD2 4.19Å; F15-L18 HydrophobicContact CD1-CB 4.17Å; F15-L18 PolarHBondContact O-N 3.12Å | ||
| 16 | R | 87.6 | Confident | 87.4 | Confident | 194 Ų | 194 | 107.6 Ų | 107.6 | 73% | 0.732 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 140.6 | -178.7 | -68 | 175.5 | 64.1 | 177.1 | 0.3 | 110 | N14 L18 | N14-R16 PolarHBondContact O-N 3.04Å; R16-L18 PolarHBondContact O-N 3.43Å; R16-L18 VanDerWaalsContact O-N 3.1Å |
| 17 | F | 89.1 | Confident | 88.2 | Confident | 156 Ų | 156 | 109.1 Ų | 109.1 | 68% | 0.684 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 8.3 | 178.4 | -49.8 | -74 | 0 | 0 | 0 | 116.3 | T21 | F17-T21 HydrophobicContact CB-CG2 4.5Å; F17-T21 VanDerWaalsContact O-CB 3.25Å; F17-T21 WeakPolarHBondContact O-CB 3.4Å; F17-T21 PolarHBondContact O-OG1 2.81Å; F17-T21 VanDerWaalsContact O-OG1 3.09Å |
| 18 | L | 89.9 | Confident | 88.7 | Confident | 105 Ų | 105 | 108.9 Ų | 108.9 | 55% | 0.55 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -44.4 | 174 | -172 | 64.2 | 0 | 0 | 0 | 111.8 | F15 R16 | F15-L18 HydrophobicContact CB-CB 4.19Å; F15-L18 HydrophobicContact CB-CD2 4.19Å; F15-L18 HydrophobicContact CD1-CB 4.17Å; F15-L18 PolarHBondContact O-N 3.12Å; R16-L18 PolarHBondContact O-N 3.43Å; R16-L18 VanDerWaalsContact O-N 3.1Å |
| 19 | K | 88.7 | Confident | 89.3 | Confident | 134 Ų | 134 | 111.5 Ų | 111.5 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -85.8 | 140.7 | -177.6 | -69.4 | 178.1 | 171.4 | 173.8 | 0 | 111.2 | K13 T21 | K13-K19 WeakPolarHBondContact O-CE 3.47Å; K13-K19 PolarHBondContact O-NZ 3.44Å; K19-T21 PolarHBondContact O-N 2.93Å; K19-T21 PolarHBondContact O-OG1 3.07Å |
| 20 | K | 90.1 | Very high | 90 | Very high | 92 Ų | 92 | 111.6 Ų | 111.6 | 40% | 0.4 | 54% | 0.538 | S | S | . | . | S | Bend | trans | 46.5 | 36.5 | 171.5 | -61.2 | -177.6 | -177.6 | -72.9 | 0 | 113.9 | I36 D43 V45 | K20-I36 HydrophobicContact CB-CD1 4.25Å; K20-I36 WeakPolarHBondContact O-CD1 3.15Å; K20-D43 IonicContact NZ-OD2 3.9Å; K20-D43 PolarHBondContact NZ-OD2 3.48Å; K20-V45 VanDerWaalsContact NZ-CG2 3.28Å |
| 21 | T | 94.3 | Very high | 90.6 | Very high | 77 Ų | 77 | 109.9 Ų | 109.9 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | trans | -107.8 | 141.4 | 178 | -59.5 | 0 | 0 | 0 | 0 | 108.3 | F17 K19 | F17-T21 HydrophobicContact CB-CG2 4.5Å; F17-T21 VanDerWaalsContact O-CB 3.25Å; F17-T21 WeakPolarHBondContact O-CB 3.4Å; F17-T21 PolarHBondContact O-OG1 2.81Å; F17-T21 VanDerWaalsContact O-OG1 3.09Å; K19-T21 PolarHBondContact O-N 2.93Å; K19-T21 PolarHBondContact O-OG1 3.07Å | ||
| 22 | I | 94 | Very high | 91.3 | Very high | 53 Ų | 53 | 107.4 Ų | 107.4 | 27% | 0.272 | 52% | 0.523 | S | S | . | . | trans | -126.9 | 135.7 | 179.3 | -63.4 | -171.9 | 0 | 0 | 0 | 108.1 | A32 I36 I39 | I22-A32 HydrophobicContact CG2-CB 4.35Å; I22-I36 VanDerWaalsContact CD1-CA 3.41Å; I22-I36 HydrophobicContact CD1-CB 3.6Å; I22-I36 HydrophobicContact CD1-CD1 4.14Å; I22-I36 HydrophobicContact CD1-CG1 4.46Å; I22-I36 HydrophobicContact CG1-CB 4.33Å; I22-I36 HydrophobicContact CG1-CD1 4.21Å; I22-I39 HydrophobicContact CD1-CD1 3.77Å; I22-I39 HydrophobicContact CG1-CD1 4.25Å | ||
| 23 | I | 95.2 | Very high | 92.1 | Very high | 142 Ų | 142 | 107.8 Ų | 107.8 | 73% | 0.728 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 129.9 | 171.4 | -61.1 | 172.1 | 0 | 0 | 0 | 108 | ||
| 24 | V | 96.1 | Very high | 92.7 | Very high | 61 Ų | 61 | 108.9 Ų | 108.9 | 37% | 0.37 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 125.5 | 176.5 | -175 | 0 | 0 | 0 | 0 | 108.4 | Y29 A32 | V24-Y29 HydrophobicContact CG1-CD1 4.22Å; V24-Y29 HydrophobicContact CG1-CE1 4.42Å; V24-A32 HydrophobicContact CB-CB 4.41Å; V24-A32 HydrophobicContact CG1-CB 4.33Å; V24-A32 HydrophobicContact CG2-CB 3.84Å |
| 25 | N | 93.4 | Very high | 93.3 | Very high | 114 Ų | 114 | 106 Ų | 106 | 61% | 0.61 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -100.8 | 138.5 | 176.4 | -62.9 | -32.9 | 0 | 0 | 0 | 109.6 | D27 D28 | N25-D27 VanDerWaalsContact C-N 3.26Å; N25-D27 PolarHBondContact O-N 3.45Å; N25-D28 PolarHBondContact O-N 3.41Å |
| 26 | N | 93.1 | Very high | 93.7 | Very high | 161 Ų | 161 | 102.5 Ų | 102.5 | 86% | 0.861 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 39.1 | 171.2 | -56.3 | -25.7 | 0 | 0 | 0 | 114.7 | D28 | N26-D28 PolarHBondContact O-N 3.49Š|
| 27 | D | 93.1 | Very high | 94.1 | Very high | 121 Ų | 121 | 94.8 Ų | 94.8 | 65% | 0.647 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 18.6 | -176.6 | -65.3 | -58.1 | 0 | 0 | 0 | 115 | N25 Y29 | N25-D27 VanDerWaalsContact C-N 3.26Å; N25-D27 PolarHBondContact O-N 3.45Å; D27-Y29 VanDerWaalsContact C-N 3.31Å; D27-Y29 HydrophobicContact CB-CE2 4.01Å; D27-Y29 WeakPolarHBondContact O-CD2 3.44Å; D27-Y29 WeakPolarHBondContact O-CE2 3.45Å; D27-Y29 PolarHBondContact O-N 3.47Å; D27-Y29 PolarHBondContact OD1-OH 3.18Å |
| 28 | D | 95.2 | Very high | 94.4 | Very high | 73 Ų | 73 | 94.4 Ų | 94.4 | 39% | 0.39 | 47% | 0.471 | S | S | . | . | trans | -83.3 | 76.6 | 174.8 | -175.1 | 14.2 | 0 | 0 | 0 | 111.1 | N25 N26 N30 G31 A32 | N25-D28 PolarHBondContact O-N 3.41Å; N26-D28 PolarHBondContact O-N 3.49Å; D28-N30 PolarHBondContact O-N 3.1Å; D28-N30 PolarHBondContact OD1-N 2.82Å; D28-G31 VanDerWaalsContact CG-N 3.29Å; D28-G31 PolarHBondContact O-N 3.33Å; D28-G31 PolarHBondContact OD1-N 2.92Å; D28-G31 VanDerWaalsContact OD2-CA 3.27Å; D28-G31 WeakPolarHBondContact OD2-CA 3.27Å; D28-G31 PolarHBondContact OD2-N 3.38Å; D28-A32 PolarHBondContact O-N 2.81Å; D28-A32 VanDerWaalsContact O-N 3.1Å | ||
| 29 | Y | 95.4 | Very high | 94.7 | Very high | 151 Ų | 151 | 92.8 Ų | 92.8 | 59% | 0.592 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.7 | -35.8 | 174.9 | -56.8 | -79.7 | 0 | 0 | 0 | 112.2 | V24 D27 A32 F33 | V24-Y29 HydrophobicContact CG1-CD1 4.22Å; V24-Y29 HydrophobicContact CG1-CE1 4.42Å; D27-Y29 VanDerWaalsContact C-N 3.31Å; D27-Y29 HydrophobicContact CB-CE2 4.01Å; D27-Y29 WeakPolarHBondContact O-CD2 3.44Å; D27-Y29 WeakPolarHBondContact O-CE2 3.45Å; D27-Y29 PolarHBondContact O-N 3.47Å; D27-Y29 PolarHBondContact OD1-OH 3.18Å; Y29-A32 PolarHBondContact O-N 3.41Å; Y29-F33 WeakPolarHBondContact O-CB 3.47Å; Y29-F33 PolarHBondContact O-N 3.36Å |
| 30 | N | 95.9 | Very high | 95.1 | Very high | 112 Ų | 112 | 88.5 Ų | 88.5 | 60% | 0.599 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.6 | -41.7 | -178.2 | -72.7 | -50 | 0 | 0 | 0 | 111.5 | D28 F33 R34 | D28-N30 PolarHBondContact O-N 3.1Å; D28-N30 PolarHBondContact OD1-N 2.82Å; N30-F33 PolarHBondContact O-N 3.01Å; N30-R34 WeakPolarHBondContact O-CG 3.46Å; N30-R34 PolarHBondContact O-N 3.27Å |
| 31 | G | 95.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 87.8 Ų | 87.8 | 14% | 0.144 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D28 R34 S35 | D28-G31 VanDerWaalsContact CG-N 3.29Å; D28-G31 PolarHBondContact O-N 3.33Å; D28-G31 PolarHBondContact OD1-N 2.92Å; D28-G31 VanDerWaalsContact OD2-CA 3.27Å; D28-G31 WeakPolarHBondContact OD2-CA 3.27Å; D28-G31 PolarHBondContact OD2-N 3.38Å; G31-R34 PolarHBondContact O-N 2.96Å; G31-S35 WeakPolarHBondContact O-CB 3.32Å; G31-S35 PolarHBondContact O-N 2.73Å; G31-S35 PolarHBondContact O-OG 3.31Å |
| 32 | A | 96.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 89.1 Ų | 89.1 | 14% | 0.14 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.7 | -45 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I22 V24 D28 Y29 R34 S35 I36 | I22-A32 HydrophobicContact CG2-CB 4.35Å; V24-A32 HydrophobicContact CB-CB 4.41Å; V24-A32 HydrophobicContact CG1-CB 4.33Å; V24-A32 HydrophobicContact CG2-CB 3.84Å; D28-A32 PolarHBondContact O-N 2.81Å; D28-A32 VanDerWaalsContact O-N 3.1Å; Y29-A32 PolarHBondContact O-N 3.41Å; A32-R34 PolarHBondContact O-N 2.91Å; A32-S35 WeakPolarHBondContact O-CB 3.27Å; A32-S35 PolarHBondContact O-N 3.22Å; A32-I36 PolarHBondContact O-N 3.27Å |
| 33 | F | 96.5 | Very high | 95.6 | Very high | 131 Ų | 131 | 90.8 Ų | 90.8 | 58% | 0.575 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.4 | -40.2 | 178 | -171.2 | -110.6 | 0 | 0 | 0 | 112.7 | Y29 N30 S35 I36 N37 | Y29-F33 WeakPolarHBondContact O-CB 3.47Å; Y29-F33 PolarHBondContact O-N 3.36Å; N30-F33 PolarHBondContact O-N 3.01Å; F33-S35 VanDerWaalsContact C-N 3.33Å; F33-S35 PolarHBondContact O-N 3.12Å; F33-I36 HydrophobicContact CD2-CG2 4.14Å; F33-I36 WeakPolarHBondContact O-CG2 3.47Å; F33-N37 WeakPolarHBondContact CD1-ND2 2.95Å; F33-N37 WeakPolarHBondContact CE1-ND2 3.33Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.36Å; F33-N37 WeakPolarHBondContact O-CB 3.21Å; F33-N37 PolarHBondContact O-N 2.9Å; F33-N37 PolarHBondContact O-ND2 3.05Å |
| 34 | R | 95.9 | Very high | 95.6 | Very high | 155 Ų | 155 | 89.5 Ų | 89.5 | 59% | 0.585 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 173.3 | -75.7 | -174.6 | -68.8 | -97.1 | 0.2 | 111.7 | N30 G31 A32 N37 K38 | N30-R34 WeakPolarHBondContact O-CG 3.46Å; N30-R34 PolarHBondContact O-N 3.27Å; G31-R34 PolarHBondContact O-N 2.96Å; A32-R34 PolarHBondContact O-N 2.91Å; R34-N37 PolarHBondContact O-N 3.48Å; R34-K38 PolarHBondContact O-N 3.37Å |
| 35 | S | 95.5 | Very high | 95.6 | Very high | 57 Ų | 57 | 88.8 Ų | 88.8 | 40% | 0.399 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | G31 A32 F33 N37 K38 I39 | G31-S35 WeakPolarHBondContact O-CB 3.32Å; G31-S35 PolarHBondContact O-N 2.73Å; G31-S35 PolarHBondContact O-OG 3.31Å; A32-S35 WeakPolarHBondContact O-CB 3.27Å; A32-S35 PolarHBondContact O-N 3.22Å; F33-S35 VanDerWaalsContact C-N 3.33Å; F33-S35 PolarHBondContact O-N 3.12Å; S35-N37 PolarHBondContact O-N 3.49Å; S35-K38 WeakPolarHBondContact O-CB 3.37Å; S35-K38 PolarHBondContact O-N 2.97Å; S35-I39 WeakPolarHBondContact O-CG1 3.3Å; S35-I39 PolarHBondContact O-N 3.04Å |
| 36 | I | 95.7 | Very high | 95.7 | Very high | 32 Ų | 32 | 88.9 Ų | 88.9 | 16% | 0.164 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 178.4 | -172.6 | 62.3 | 0 | 0 | 0 | 111.6 | K20 I22 A32 F33 K38 I39 I40 | K20-I36 HydrophobicContact CB-CD1 4.25Å; K20-I36 WeakPolarHBondContact O-CD1 3.15Å; I22-I36 VanDerWaalsContact CD1-CA 3.41Å; I22-I36 HydrophobicContact CD1-CB 3.6Å; I22-I36 HydrophobicContact CD1-CD1 4.14Å; I22-I36 HydrophobicContact CD1-CG1 4.46Å; I22-I36 HydrophobicContact CG1-CB 4.33Å; I22-I36 HydrophobicContact CG1-CD1 4.21Å; A32-I36 PolarHBondContact O-N 3.27Å; F33-I36 HydrophobicContact CD2-CG2 4.14Å; F33-I36 WeakPolarHBondContact O-CG2 3.47Å; I36-K38 VanDerWaalsContact C-N 3.31Å; I36-K38 PolarHBondContact O-N 3.24Å; I36-I39 PolarHBondContact O-N 3.44Å; I36-I40 HydrophobicContact CD1-CD1 4.36Å; I36-I40 HydrophobicContact CD1-CG1 4.42Å; I36-I40 HydrophobicContact CG1-CD1 3.88Å; I36-I40 HydrophobicContact CG1-CG1 4.38Å; I36-I40 WeakPolarHBondContact O-CB 3.39Å; I36-I40 VanDerWaalsContact O-CG1 3.3Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 3.08Å |
| 37 | N | 96.4 | Very high | 95.8 | Very high | 32 Ų | 32 | 83.2 Ų | 83.2 | 17% | 0.171 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 174.9 | -81.2 | -58.1 | 0 | 0 | 0 | 112.1 | F33 R34 S35 I40 N41 R46 | F33-N37 WeakPolarHBondContact CD1-ND2 2.95Å; F33-N37 WeakPolarHBondContact CE1-ND2 3.33Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.36Å; F33-N37 WeakPolarHBondContact O-CB 3.21Å; F33-N37 PolarHBondContact O-N 2.9Å; F33-N37 PolarHBondContact O-ND2 3.05Å; R34-N37 PolarHBondContact O-N 3.48Å; S35-N37 PolarHBondContact O-N 3.49Å; N37-I40 PolarHBondContact O-N 3.03Å; N37-N41 WeakPolarHBondContact O-CB 3.42Å; N37-N41 PolarHBondContact O-N 3.45Å; N37-N41 PolarHBondContact O-ND2 3.33Å; N37-R46 PolarHBondContact OD1-NH2 3.17Å |
| 38 | K | 96.4 | Very high | 95.9 | Very high | 149 Ų | 149 | 80.6 Ų | 80.6 | 65% | 0.648 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.1 | -48.3 | 174.8 | -174.1 | 177.9 | 179.5 | -179.8 | 0 | 111.2 | R34 S35 I36 I40 N41 V42 | R34-K38 PolarHBondContact O-N 3.37Å; S35-K38 WeakPolarHBondContact O-CB 3.37Å; S35-K38 PolarHBondContact O-N 2.97Å; I36-K38 VanDerWaalsContact C-N 3.31Å; I36-K38 PolarHBondContact O-N 3.24Å; K38-I40 PolarHBondContact O-N 2.71Å; K38-N41 PolarHBondContact O-N 3.23Å; K38-V42 HydrophobicContact CG-CG2 4.37Å; K38-V42 WeakPolarHBondContact O-CG2 3.25Å; K38-V42 PolarHBondContact O-N 3.47Å |
| 39 | I | 96.4 | Very high | 96 | Very high | 70 Ų | 70 | 80.5 Ų | 80.5 | 36% | 0.359 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 177.9 | -64.4 | 174.5 | 0 | 0 | 0 | 110.9 | I22 S35 I36 N41 V42 D43 | I22-I39 HydrophobicContact CD1-CD1 3.77Å; I22-I39 HydrophobicContact CG1-CD1 4.25Å; S35-I39 WeakPolarHBondContact O-CG1 3.3Å; S35-I39 PolarHBondContact O-N 3.04Å; I36-I39 PolarHBondContact O-N 3.44Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 3.01Å; I39-V42 PolarHBondContact O-N 2.92Å; I39-D43 WeakPolarHBondContact O-CB 3.44Å; I39-D43 PolarHBondContact O-N 3.47Å |
| 40 | I | 96.6 | Very high | 96 | Very high | 44 Ų | 44 | 77.4 Ų | 77.4 | 23% | 0.226 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.4 | -38.7 | 178.6 | -72.2 | 170.7 | 0 | 0 | 0 | 112 | I36 N37 K38 K44 V45 R46 | I36-I40 HydrophobicContact CD1-CD1 4.36Å; I36-I40 HydrophobicContact CD1-CG1 4.42Å; I36-I40 HydrophobicContact CG1-CD1 3.88Å; I36-I40 HydrophobicContact CG1-CG1 4.38Å; I36-I40 WeakPolarHBondContact O-CB 3.39Å; I36-I40 VanDerWaalsContact O-CG1 3.3Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 3.08Å; N37-I40 PolarHBondContact O-N 3.03Å; K38-I40 PolarHBondContact O-N 2.71Å; I40-K44 PolarHBondContact O-N 3.1Å; I40-V45 HydrophobicContact CG2-CB 4.24Å; I40-V45 PolarHBondContact O-N 3.09Å; I40-R46 HydrophobicContact CG2-CB 3.98Å |
| 41 | N | 96.3 | Very high | 95.9 | Very high | 77 Ų | 77 | 76 Ų | 76 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -74.3 | -43.3 | 179.6 | -72 | -25 | 0 | 0 | 0 | 112.4 | N37 K38 I39 K44 | N37-N41 WeakPolarHBondContact O-CB 3.42Å; N37-N41 PolarHBondContact O-N 3.45Å; N37-N41 PolarHBondContact O-ND2 3.33Å; K38-N41 PolarHBondContact O-N 3.23Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 3.01Å; N41-K44 PolarHBondContact O-N 3.45Å; N41-K44 VanDerWaalsContact O-N 3.07Å |
| 42 | V | 95.9 | Very high | 95.9 | Very high | 106 Ų | 106 | 82.2 Ų | 82.2 | 64% | 0.642 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | K38 I39 K44 | K38-V42 HydrophobicContact CG-CG2 4.37Å; K38-V42 WeakPolarHBondContact O-CG2 3.25Å; K38-V42 PolarHBondContact O-N 3.47Å; I39-V42 PolarHBondContact O-N 2.92Å; V42-K44 PolarHBondContact O-N 2.66Å; V42-K44 VanDerWaalsContact O-N 3.11Å |
| 43 | D | 95.7 | Very high | 95.9 | Very high | 88 Ų | 88 | 88 Ų | 88 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 0.4 | 176.3 | -70.8 | -8.8 | 0 | 0 | 0 | 113.4 | K20 I39 V45 | K20-D43 IonicContact NZ-OD2 3.9Å; K20-D43 PolarHBondContact NZ-OD2 3.48Å; I39-D43 WeakPolarHBondContact O-CB 3.44Å; I39-D43 PolarHBondContact O-N 3.47Å; D43-V45 HydrophobicContact CB-CG2 3.84Å; D43-V45 PolarHBondContact O-N 3.01Å; D43-V45 VanDerWaalsContact O-N 3.08Å |
| 44 | K | 95.3 | Very high | 95.9 | Very high | 114 Ų | 114 | 92 Ų | 92 | 50% | 0.496 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 26.3 | -176.8 | -59.4 | -176.6 | -179.4 | -179.6 | 0 | 114 | I40 N41 V42 S47 T48 | I40-K44 PolarHBondContact O-N 3.1Å; N41-K44 PolarHBondContact O-N 3.45Å; N41-K44 VanDerWaalsContact O-N 3.07Å; V42-K44 PolarHBondContact O-N 2.66Å; V42-K44 VanDerWaalsContact O-N 3.11Å; K44-S47 PolarHBondContact O-OG 3.03Å; K44-T48 WeakPolarHBondContact O-CB 3.25Å; K44-T48 PolarHBondContact O-N 3.42Å; K44-T48 PolarHBondContact O-OG1 3.04Å |
| 45 | V | 96.2 | Very high | 96 | Very high | 47 Ų | 47 | 93.5 Ų | 93.5 | 29% | 0.285 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.8 | -42.8 | -179.2 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | K20 I40 D43 S47 T48 V49 | K20-V45 VanDerWaalsContact NZ-CG2 3.28Å; I40-V45 HydrophobicContact CG2-CB 4.24Å; I40-V45 PolarHBondContact O-N 3.09Å; D43-V45 HydrophobicContact CB-CG2 3.84Å; D43-V45 PolarHBondContact O-N 3.01Å; D43-V45 VanDerWaalsContact O-N 3.08Å; V45-S47 PolarHBondContact O-N 3.27Å; V45-T48 PolarHBondContact O-N 3.2Å; V45-V49 HydrophobicContact CG1-CG2 4.28Å; V45-V49 WeakPolarHBondContact O-CG2 3.49Å; V45-V49 PolarHBondContact O-N 2.97Å |
| 46 | R | 95.4 | Very high | 96 | Very high | 115 Ų | 115 | 93.5 Ų | 93.5 | 43% | 0.434 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 177.8 | 179.8 | 177.3 | -70.2 | 176.1 | -0.5 | 112.1 | N37 I40 V49 N50 | N37-R46 PolarHBondContact OD1-NH2 3.17Å; I40-R46 HydrophobicContact CG2-CB 3.98Å; R46-V49 PolarHBondContact O-N 2.95Å; R46-N50 PolarHBondContact O-N 2.95Å; R46-N50 PolarHBondContact O-ND2 3.39Å; R46-N50 PolarHBondContact O-OD1 3.07Å |
| 47 | S | 95.1 | Very high | 96.1 | Very high | 43 Ų | 43 | 98 Ų | 98 | 30% | 0.301 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 178.1 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | K44 V45 V49 N50 F51 | K44-S47 PolarHBondContact O-OG 3.03Å; V45-S47 PolarHBondContact O-N 3.27Å; S47-V49 PolarHBondContact O-N 3.1Å; S47-N50 PolarHBondContact O-N 2.96Å; S47-F51 WeakPolarHBondContact O-CD2 3.46Å; S47-F51 WeakPolarHBondContact O-CG 3.36Å; S47-F51 PolarHBondContact O-N 3.48Å |
| 48 | T | 96.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 99.5 Ų | 99.5 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 176.7 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | K44 V45 N50 F51 Q52 | K44-T48 WeakPolarHBondContact O-CB 3.25Å; K44-T48 PolarHBondContact O-N 3.42Å; K44-T48 PolarHBondContact O-OG1 3.04Å; V45-T48 PolarHBondContact O-N 3.2Å; T48-N50 VanDerWaalsContact C-N 3.35Å; T48-N50 PolarHBondContact O-N 3.18Å; T48-F51 PolarHBondContact O-N 2.9Å; T48-Q52 HydrophobicContact CG2-CG 4.49Å; T48-Q52 WeakPolarHBondContact O-CB 3.35Å; T48-Q52 VanDerWaalsContact O-CG 3.27Å; T48-Q52 WeakPolarHBondContact O-CG 3.43Å; T48-Q52 PolarHBondContact O-N 3.41Å |
| 49 | V | 96.5 | Very high | 96.3 | Very high | 71 Ų | 71 | 96 Ų | 96 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | V45 R46 S47 F51 Q52 Q53 | V45-V49 HydrophobicContact CG1-CG2 4.28Å; V45-V49 WeakPolarHBondContact O-CG2 3.49Å; V45-V49 PolarHBondContact O-N 2.97Å; R46-V49 PolarHBondContact O-N 2.95Å; S47-V49 PolarHBondContact O-N 3.1Å; V49-F51 VanDerWaalsContact C-N 3.35Å; V49-F51 PolarHBondContact O-N 3.43Å; V49-Q52 PolarHBondContact O-N 3.12Å; V49-Q52 VanDerWaalsContact O-N 3.12Å; V49-Q53 WeakPolarHBondContact O-CG 3.46Å; V49-Q53 PolarHBondContact O-N 3.22Å; V49-Q53 VanDerWaalsContact O-N 3.16Å |
| 50 | N | 95.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 95.7 Ų | 95.7 | 47% | 0.465 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 178.3 | -69.7 | -9.4 | 0 | 0 | 0 | 112.3 | R46 S47 T48 Q52 Q53 | R46-N50 PolarHBondContact O-N 2.95Å; R46-N50 PolarHBondContact O-ND2 3.39Å; R46-N50 PolarHBondContact O-OD1 3.07Å; S47-N50 PolarHBondContact O-N 2.96Å; T48-N50 VanDerWaalsContact C-N 3.35Å; T48-N50 PolarHBondContact O-N 3.18Å; N50-Q52 VanDerWaalsContact C-N 3.3Å; N50-Q52 PolarHBondContact O-N 2.86Å; N50-Q53 PolarHBondContact O-N 2.88Å |
| 51 | F | 94.7 | Very high | 96.4 | Very high | 83 Ų | 83 | 99.6 Ų | 99.6 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.6 | -28.3 | 175.6 | -65.7 | -51.3 | 0 | 0 | 0 | 112.8 | S47 T48 V49 | S47-F51 WeakPolarHBondContact O-CD2 3.46Å; S47-F51 WeakPolarHBondContact O-CG 3.36Å; S47-F51 PolarHBondContact O-N 3.48Å; T48-F51 PolarHBondContact O-N 2.9Å; V49-F51 VanDerWaalsContact C-N 3.35Å; V49-F51 PolarHBondContact O-N 3.43Å |
| 52 | Q | 95.8 | Very high | 96.5 | Very high | 144 Ų | 144 | 102.8 Ų | 102.8 | 67% | 0.673 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -79.1 | -16 | 177.9 | -74.1 | 174.8 | -28.8 | 0 | 0 | 113.8 | T48 V49 N50 R54 | T48-Q52 HydrophobicContact CG2-CG 4.49Å; T48-Q52 WeakPolarHBondContact O-CB 3.35Å; T48-Q52 VanDerWaalsContact O-CG 3.27Å; T48-Q52 WeakPolarHBondContact O-CG 3.43Å; T48-Q52 PolarHBondContact O-N 3.41Å; V49-Q52 PolarHBondContact O-N 3.12Å; V49-Q52 VanDerWaalsContact O-N 3.12Å; N50-Q52 VanDerWaalsContact C-N 3.3Å; N50-Q52 PolarHBondContact O-N 2.86Å; Q52-R54 PolarHBondContact O-N 3.23Å |
| 53 | Q | 96.9 | Very high | 96.6 | Very high | 138 Ų | 138 | 106.3 Ų | 106.3 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.8 | 178.9 | -74.4 | 173.9 | 2.9 | 0 | 0 | 113.3 | V49 N50 | V49-Q53 WeakPolarHBondContact O-CG 3.46Å; V49-Q53 PolarHBondContact O-N 3.22Å; V49-Q53 VanDerWaalsContact O-N 3.16Å; N50-Q53 PolarHBondContact O-N 2.88Å |
| 54 | R | 96.2 | Very high | 96.7 | Very high | 214 Ų | 214 | 104.5 Ų | 104.5 | 81% | 0.808 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -135.1 | 149.9 | 178.7 | -62.4 | -177.1 | -178.7 | -174.1 | -0.4 | 109.2 | Q52 E56 | Q52-R54 PolarHBondContact O-N 3.23Å; R54-E56 PolarHBondContact O-N 3.4Å |
| 55 | Y | 97.1 | Very high | 96.8 | Very high | 188 Ų | 188 | 104 Ų | 104 | 74% | 0.737 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -67 | 121.2 | 173 | 176.2 | -105.8 | 0 | 0 | 0 | 110.7 | K57 P58 | Y55-K57 HydrophobicContact CD1-CG 4.44Å; Y55-K57 HydrophobicContact CE1-CB 4.44Å; Y55-K57 HydrophobicContact CE1-CG 3.9Å; Y55-P58 WeakPolarHBondContact OH-CD 3.37Å |
| 56 | E | 96.6 | Very high | 96.9 | Very high | 56 Ų | 56 | 106.5 Ų | 106.5 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 123.2 | 169.7 | -172.7 | 177.8 | -151.5 | 0 | 0 | 108.9 | R54 D60 W61 R64 | R54-E56 PolarHBondContact O-N 3.4Å; E56-D60 HydrophobicContact CG-CB 4.11Å; E56-W61 HydrophobicContact CG-CB 4.07Å; E56-R64 IonicContact OE1-CZ 3.92Å; E56-R64 IonicContact OE1-NE 2.69Å; E56-R64 PolarHBondContact OE1-NE 2.86Å; E56-R64 IonicContact OE1-NH2 2.88Å; E56-R64 IonicContact OE2-CZ 3.71Å; E56-R64 IonicContact OE2-NE 2.66Å; E56-R64 PolarHBondContact OE2-NE 2.68Å; E56-R64 IonicContact OE2-NH2 2.81Å; E56-R64 PolarHBondContact OE2-NH2 3.16Å |
| 57 | K | 98.2 | Very high | 97 | Very high | 128 Ų | 128 | 108 Ų | 108 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 146.9 | 177.7 | -67.1 | 177.9 | 179.3 | 178 | 0 | 110 | Y55 T59 D60 W61 | Y55-K57 HydrophobicContact CD1-CG 4.44Å; Y55-K57 HydrophobicContact CE1-CB 4.44Å; Y55-K57 HydrophobicContact CE1-CG 3.9Å; K57-T59 PolarHBondContact O-N 3.32Å; K57-T59 VanDerWaalsContact O-N 3.1Å; K57-D60 PolarHBondContact O-N 3.24Å; K57-W61 PolarHBondContact O-N 3.38Å |
| 58 | P | 98.2 | Very high | 97.1 | Very high | 62 Ų | 62 | 108.8 Ų | 108.8 | 40% | 0.403 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.7 | -30.5 | -179.5 | -27.9 | 34.6 | 0 | 0 | 0 | 114.2 | Y55 R62 | Y55-P58 WeakPolarHBondContact OH-CD 3.37Å; P58-R62 WeakPolarHBondContact O-CB 3.4Å; P58-R62 VanDerWaalsContact O-CG 3.25Å; P58-R62 WeakPolarHBondContact O-CG 3.5Å; P58-R62 PolarHBondContact O-N 3.37Å; P58-R62 VanDerWaalsContact O-N 3.12Å; P58-R62 PolarHBondContact O-NH1 3.35Å |
| 59 | T | 98.3 | Very high | 97.2 | Very high | 76 Ų | 76 | 112.3 Ų | 112.3 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 174.8 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | K57 R62 R63 | K57-T59 PolarHBondContact O-N 3.32Å; K57-T59 VanDerWaalsContact O-N 3.1Å; T59-R62 PolarHBondContact O-N 3.13Å; T59-R63 WeakPolarHBondContact O-CG 3.4Å; T59-R63 PolarHBondContact O-N 3.26Å; T59-R63 VanDerWaalsContact O-N 3.07Å |
| 60 | D | 97.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 113 Ų | 113 | 34% | 0.342 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.6 | -41.9 | -178.6 | -60.5 | -29.4 | 0 | 0 | 0 | 110.3 | E56 K57 R62 R63 R64 | E56-D60 HydrophobicContact CG-CB 4.11Å; K57-D60 PolarHBondContact O-N 3.24Å; D60-R62 VanDerWaalsContact C-N 3.35Å; D60-R62 PolarHBondContact O-N 3.11Å; D60-R63 PolarHBondContact O-N 3.07Å; D60-R63 IonicContact OD1-NH1 3.71Å; D60-R64 WeakPolarHBondContact O-CB 3.04Å; D60-R64 PolarHBondContact O-N 3Å |
| 61 | W | 97.5 | Very high | 97.5 | Very high | 126 Ų | 126 | 113.8 Ų | 113.8 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.2 | -46.4 | 172.7 | -179.9 | 92.5 | 0 | 0 | 0 | 112.1 | E56 K57 R64 Y65 | E56-W61 HydrophobicContact CG-CB 4.07Å; K57-W61 PolarHBondContact O-N 3.38Å; W61-R64 PolarHBondContact O-N 2.91Å; W61-Y65 WeakPolarHBondContact O-CB 3.46Å; W61-Y65 PolarHBondContact O-N 3.37Å |
| 62 | R | 98.5 | Very high | 97.6 | Very high | 144 Ų | 144 | 115.8 Ų | 115.8 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 177 | -73.9 | 179.9 | -162.5 | 109.9 | -4.2 | 111.6 | P58 T59 D60 Y65 M66 | P58-R62 WeakPolarHBondContact O-CB 3.4Å; P58-R62 VanDerWaalsContact O-CG 3.25Å; P58-R62 WeakPolarHBondContact O-CG 3.5Å; P58-R62 PolarHBondContact O-N 3.37Å; P58-R62 VanDerWaalsContact O-N 3.12Å; P58-R62 PolarHBondContact O-NH1 3.35Å; T59-R62 PolarHBondContact O-N 3.13Å; D60-R62 VanDerWaalsContact C-N 3.35Å; D60-R62 PolarHBondContact O-N 3.11Å; R62-Y65 PolarHBondContact O-N 3Å; R62-M66 VanDerWaalsContact O-CG 3.29Å; R62-M66 WeakPolarHBondContact O-CG 3.4Å; R62-M66 PolarHBondContact O-N 3.44Å |
| 63 | R | 98.2 | Very high | 97.8 | Very high | 180 Ų | 180 | 113 Ų | 113 | 68% | 0.679 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.7 | -47.2 | 176.9 | -75.2 | 173.7 | 179.6 | 171.4 | -3.2 | 111.4 | T59 D60 M66 Y67 | T59-R63 WeakPolarHBondContact O-CG 3.4Å; T59-R63 PolarHBondContact O-N 3.26Å; T59-R63 VanDerWaalsContact O-N 3.07Å; D60-R63 PolarHBondContact O-N 3.07Å; D60-R63 IonicContact OD1-NH1 3.71Å; R63-M66 PolarHBondContact O-N 3.03Å; R63-Y67 WeakPolarHBondContact O-CB 3.29Å; R63-Y67 PolarHBondContact O-N 2.84Å |
| 64 | R | 97.3 | Very high | 97.8 | Very high | 49 Ų | 49 | 113.4 Ų | 113.4 | 19% | 0.185 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 177.2 | -179.5 | 175.9 | 58.4 | 76.4 | -3.3 | 111.5 | E56 D60 W61 M66 Y67 E68 | E56-R64 IonicContact OE1-CZ 3.92Å; E56-R64 IonicContact OE1-NE 2.69Å; E56-R64 PolarHBondContact OE1-NE 2.86Å; E56-R64 IonicContact OE1-NH2 2.88Å; E56-R64 IonicContact OE2-CZ 3.71Å; E56-R64 IonicContact OE2-NE 2.66Å; E56-R64 PolarHBondContact OE2-NE 2.68Å; E56-R64 IonicContact OE2-NH2 2.81Å; E56-R64 PolarHBondContact OE2-NH2 3.16Å; D60-R64 WeakPolarHBondContact O-CB 3.04Å; D60-R64 PolarHBondContact O-N 3Å; W61-R64 PolarHBondContact O-N 2.91Å; R64-M66 VanDerWaalsContact C-N 3.33Å; R64-M66 PolarHBondContact O-N 3.39Å; R64-Y67 WeakPolarHBondContact O-CB 3.46Å; R64-Y67 PolarHBondContact O-N 2.87Å; R64-E68 HydrophobicContact CG-CG 4.39Å; R64-E68 WeakPolarHBondContact CG-OE1 3.22Å; R64-E68 IonicContact CZ-OE1 3.47Å; R64-E68 IonicContact NH1-OE1 2.73Å; R64-E68 PolarHBondContact NH1-OE1 3.02Å; R64-E68 WeakPolarHBondContact O-CG 3.44Å; R64-E68 PolarHBondContact O-N 3.1Å |
| 65 | Y | 97 | Very high | 98 | Very high | 104 Ų | 104 | 107 Ų | 107 | 41% | 0.408 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 179.1 | -178 | -92.3 | 0 | 0 | 0 | 112.1 | W61 R62 E68 R69 | W61-Y65 WeakPolarHBondContact O-CB 3.46Å; W61-Y65 PolarHBondContact O-N 3.37Å; R62-Y65 PolarHBondContact O-N 3Å; Y65-E68 PolarHBondContact O-N 2.92Å; Y65-R69 WeakPolarHBondContact O-CB 3.28Å; Y65-R69 PolarHBondContact O-N 3.4Å |
| 66 | M | 98.3 | Very high | 98 | Very high | 100 Ų | 100 | 101.6 Ų | 101.6 | 49% | 0.493 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 176.5 | -67.6 | -57.2 | 162.4 | 0 | 0 | 112 | R62 R63 R64 E68 R69 C70 | R62-M66 VanDerWaalsContact O-CG 3.29Å; R62-M66 WeakPolarHBondContact O-CG 3.4Å; R62-M66 PolarHBondContact O-N 3.44Å; R63-M66 PolarHBondContact O-N 3.03Å; R64-M66 VanDerWaalsContact C-N 3.33Å; R64-M66 PolarHBondContact O-N 3.39Å; M66-E68 PolarHBondContact O-N 3.23Å; M66-R69 PolarHBondContact O-N 3.48Å; M66-C70 PolarHBondContact O-N 3.5Å; M66-C70 PolarHBondContact O-SG 3.29Å; M66-C70 VanDerWaalsContact O-SG 3.4Å |
| 67 | Y | 98.4 | Very high | 98.1 | Very high | 147 Ų | 147 | 103.1 Ų | 103.1 | 58% | 0.576 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57.6 | -49.5 | 174.3 | 170.4 | -97.4 | 0 | 0 | 0 | 112.1 | R63 R64 R69 C70 K71 | R63-Y67 WeakPolarHBondContact O-CB 3.29Å; R63-Y67 PolarHBondContact O-N 2.84Å; R64-Y67 WeakPolarHBondContact O-CB 3.46Å; R64-Y67 PolarHBondContact O-N 2.87Å; Y67-R69 VanDerWaalsContact C-N 3.26Å; Y67-R69 PolarHBondContact O-N 3.32Å; Y67-C70 PolarHBondContact O-N 3.4Å; Y67-K71 HydrophobicContact CE1-CD 4.15Å; Y67-K71 VanDerWaalsContact O-CB 3.28Å; Y67-K71 WeakPolarHBondContact O-CB 3.28Å; Y67-K71 PolarHBondContact O-N 2.92Å |
| 68 | E | 97.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 99.9 Ų | 99.9 | 27% | 0.271 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.8 | -35.8 | 178.4 | -73.6 | 177.9 | -159.4 | 0 | 0 | 112.2 | R64 Y65 M66 R72 | R64-E68 HydrophobicContact CG-CG 4.39Å; R64-E68 WeakPolarHBondContact CG-OE1 3.22Å; R64-E68 IonicContact CZ-OE1 3.47Å; R64-E68 IonicContact NH1-OE1 2.73Å; R64-E68 PolarHBondContact NH1-OE1 3.02Å; R64-E68 WeakPolarHBondContact O-CG 3.44Å; R64-E68 PolarHBondContact O-N 3.1Å; Y65-E68 PolarHBondContact O-N 2.92Å; M66-E68 PolarHBondContact O-N 3.23Å; E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 PolarHBondContact O-N 3.44Å; E68-R72 VanDerWaalsContact O-N 3.1Å; E68-R72 PolarHBondContact O-NH2 2.93Å |
| 69 | R | 98.2 | Very high | 98.1 | Very high | 140 Ų | 140 | 100.2 Ų | 100.2 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68 | -50.6 | 175.8 | -176.5 | 179.4 | -179.9 | 177.7 | 0.9 | 111.5 | Y65 M66 Y67 K71 R72 V73 | Y65-R69 WeakPolarHBondContact O-CB 3.28Å; Y65-R69 PolarHBondContact O-N 3.4Å; M66-R69 PolarHBondContact O-N 3.48Å; Y67-R69 VanDerWaalsContact C-N 3.26Å; Y67-R69 PolarHBondContact O-N 3.32Å; R69-K71 VanDerWaalsContact C-N 3.34Å; R69-K71 PolarHBondContact O-N 3.1Å; R69-R72 PolarHBondContact O-N 3.45Å; R69-V73 WeakPolarHBondContact O-CG2 3.46Å; R69-V73 PolarHBondContact O-N 3.24Å; R69-V73 VanDerWaalsContact O-N 3.12Å |
| 70 | C | 98.5 | Very high | 98.1 | Very high | 86 Ų | 86 | 103.7 Ų | 103.7 | 58% | 0.581 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 178.8 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | M66 Y67 R72 V73 Y74 | M66-C70 PolarHBondContact O-N 3.5Å; M66-C70 PolarHBondContact O-SG 3.29Å; M66-C70 VanDerWaalsContact O-SG 3.4Å; Y67-C70 PolarHBondContact O-N 3.4Å; C70-R72 PolarHBondContact O-N 3.27Å; C70-V73 PolarHBondContact O-N 3.29Å; C70-Y74 WeakPolarHBondContact O-CB 3.46Å; C70-Y74 PolarHBondContact O-N 3.06Å |
| 71 | K | 98.5 | Very high | 98.2 | Very high | 102 Ų | 102 | 106.5 Ų | 106.5 | 44% | 0.443 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 175 | -177.3 | 174.5 | -177.8 | 175.9 | 0 | 111.7 | Y67 R69 V73 Y74 D75 | Y67-K71 HydrophobicContact CE1-CD 4.15Å; Y67-K71 VanDerWaalsContact O-CB 3.28Å; Y67-K71 WeakPolarHBondContact O-CB 3.28Å; Y67-K71 PolarHBondContact O-N 2.92Å; R69-K71 VanDerWaalsContact C-N 3.34Å; R69-K71 PolarHBondContact O-N 3.1Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 3.4Å; K71-Y74 PolarHBondContact O-N 2.83Å; K71-D75 WeakPolarHBondContact CG-OD2 3.25Å; K71-D75 WeakPolarHBondContact O-CB 3.42Å; K71-D75 PolarHBondContact O-N 3.12Å |
| 72 | R | 98.1 | Very high | 98.2 | Very high | 125 Ų | 125 | 105.1 Ų | 105.1 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 178.1 | -172.4 | -173.9 | -48.1 | 105.1 | 14.4 | 112.9 | E68 R69 C70 S76 | E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 PolarHBondContact O-N 3.44Å; E68-R72 VanDerWaalsContact O-N 3.1Å; E68-R72 PolarHBondContact O-NH2 2.93Å; R69-R72 PolarHBondContact O-N 3.45Å; C70-R72 PolarHBondContact O-N 3.27Å; R72-S76 WeakPolarHBondContact O-CB 3.47Å; R72-S76 PolarHBondContact O-N 3.48Å |
| 73 | V | 98.5 | Very high | 98.1 | Very high | 85 Ų | 85 | 101.5 Ų | 101.5 | 52% | 0.515 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -48.2 | 177 | 174 | 0 | 0 | 0 | 0 | 109.9 | R69 C70 K71 S76 E77 | R69-V73 WeakPolarHBondContact O-CG2 3.46Å; R69-V73 PolarHBondContact O-N 3.24Å; R69-V73 VanDerWaalsContact O-N 3.12Å; C70-V73 PolarHBondContact O-N 3.29Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 3.4Å; V73-S76 PolarHBondContact O-N 3.26Å; V73-E77 HydrophobicContact CG1-CG 4.38Å; V73-E77 WeakPolarHBondContact O-CB 3.48Å; V73-E77 WeakPolarHBondContact O-CG 3.35Å; V73-E77 PolarHBondContact O-N 3.37Å |
| 74 | Y | 98.7 | Very high | 98 | Very high | 147 Ų | 147 | 97.9 Ų | 97.9 | 58% | 0.576 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.6 | -50.1 | 178.2 | -177.8 | -88.5 | 0 | 0 | 0 | 112.4 | C70 K71 S76 E77 M78 | C70-Y74 WeakPolarHBondContact O-CB 3.46Å; C70-Y74 PolarHBondContact O-N 3.06Å; K71-Y74 PolarHBondContact O-N 2.83Å; Y74-S76 VanDerWaalsContact C-N 3.29Å; Y74-S76 PolarHBondContact O-N 2.93Å; Y74-E77 PolarHBondContact O-N 3.32Å; Y74-M78 HydrophobicContact CE1-CB 4.34Å; Y74-M78 HydrophobicContact CE1-CE 4.11Å; Y74-M78 HydrophobicContact CE2-CE 4.19Å; Y74-M78 VanDerWaalsContact O-CB 3.27Å; Y74-M78 WeakPolarHBondContact O-CB 3.3Å; Y74-M78 PolarHBondContact O-N 3.38Å; Y74-M78 VanDerWaalsContact OH-CE 3.25Å; Y74-M78 WeakPolarHBondContact OH-CE 3.27Å |
| 75 | D | 98.5 | Very high | 97.9 | Very high | 80 Ų | 80 | 99.1 Ų | 99.1 | 43% | 0.428 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | -179.4 | -67.8 | -15.2 | 0 | 0 | 0 | 110.8 | K71 S79 | K71-D75 WeakPolarHBondContact CG-OD2 3.25Å; K71-D75 WeakPolarHBondContact O-CB 3.42Å; K71-D75 PolarHBondContact O-N 3.12Å; D75-S79 VanDerWaalsContact O-CB 3.3Å; D75-S79 WeakPolarHBondContact O-CB 3.39Å; D75-S79 PolarHBondContact O-N 2.8Å |
| 76 | S | 98.5 | Very high | 97.9 | Very high | 75 Ų | 75 | 99.6 Ų | 99.6 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 177 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | R72 V73 Y74 S79 R80 | R72-S76 WeakPolarHBondContact O-CB 3.47Å; R72-S76 PolarHBondContact O-N 3.48Å; V73-S76 PolarHBondContact O-N 3.26Å; Y74-S76 VanDerWaalsContact C-N 3.29Å; Y74-S76 PolarHBondContact O-N 2.93Å; S76-S79 PolarHBondContact O-N 3Å; S76-R80 WeakPolarHBondContact O-CB 3.48Å; S76-R80 PolarHBondContact O-N 3.48Å |
| 77 | E | 98.7 | Very high | 97.6 | Very high | 87 Ų | 87 | 104 Ų | 104 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 178.9 | -73.2 | -56.2 | 127.9 | 0 | 0 | 111.8 | V73 Y74 R80 K81 | V73-E77 HydrophobicContact CG1-CG 4.38Å; V73-E77 WeakPolarHBondContact O-CB 3.48Å; V73-E77 WeakPolarHBondContact O-CG 3.35Å; V73-E77 PolarHBondContact O-N 3.37Å; Y74-E77 PolarHBondContact O-N 3.32Å; E77-R80 WeakPolarHBondContact O-CB 3.35Å; E77-R80 PolarHBondContact O-N 2.84Å; E77-R80 IonicContact OE1-NE 3.85Å; E77-R80 IonicContact OE2-CZ 3.22Å; E77-R80 IonicContact OE2-NE 2.9Å; E77-R80 PolarHBondContact OE2-NE 2.91Å; E77-R80 IonicContact OE2-NH2 3.31Å; E77-R80 PolarHBondContact OE2-NH2 3.19Å; E77-K81 PolarHBondContact O-N 3.19Å |
| 78 | M | 98.6 | Very high | 97.2 | Very high | 61 Ų | 61 | 101.5 Ų | 101.5 | 30% | 0.3 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 175.9 | -170.6 | 58.2 | 69.2 | 0 | 0 | 111 | Y74 R80 K81 I82 | Y74-M78 HydrophobicContact CE1-CB 4.34Å; Y74-M78 HydrophobicContact CE1-CE 4.11Å; Y74-M78 HydrophobicContact CE2-CE 4.19Å; Y74-M78 VanDerWaalsContact O-CB 3.27Å; Y74-M78 WeakPolarHBondContact O-CB 3.3Å; Y74-M78 PolarHBondContact O-N 3.38Å; Y74-M78 VanDerWaalsContact OH-CE 3.25Å; Y74-M78 WeakPolarHBondContact OH-CE 3.27Å; M78-R80 VanDerWaalsContact C-N 3.28Å; M78-R80 PolarHBondContact O-N 3.49Å; M78-K81 WeakPolarHBondContact O-CB 3.48Å; M78-K81 PolarHBondContact O-N 3.31Å; M78-K81 VanDerWaalsContact O-N 3.17Å; M78-K81 HydrophobicContact SD-CD 4.23Å; M78-I82 HydrophobicContact CG-CD1 3.99Å; M78-I82 HydrophobicContact CG-CG1 4.47Å; M78-I82 VanDerWaalsContact O-CG1 3.29Å; M78-I82 WeakPolarHBondContact O-CG1 3.29Å; M78-I82 PolarHBondContact O-N 2.95Å |
| 79 | S | 98.2 | Very high | 97 | Very high | 69 Ų | 69 | 106.7 Ų | 106.7 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58 | -42.7 | 173.4 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | D75 S76 I82 S83 | D75-S79 VanDerWaalsContact O-CB 3.3Å; D75-S79 WeakPolarHBondContact O-CB 3.39Å; D75-S79 PolarHBondContact O-N 2.8Å; S76-S79 PolarHBondContact O-N 3Å; S79-I82 PolarHBondContact O-N 3.35Å; S79-S83 PolarHBondContact O-N 3.07Å; S79-S83 PolarHBondContact O-OG 3.17Å; S79-S83 VanDerWaalsContact O-OG 3.07Å |
| 80 | R | 97.9 | Very high | 96.7 | Very high | 149 Ų | 149 | 108 Ų | 108 | 56% | 0.562 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 175.7 | -173.6 | -177.2 | 66.5 | 73.6 | -0.3 | 111.9 | S76 E77 M78 S83 L84 | S76-R80 WeakPolarHBondContact O-CB 3.48Å; S76-R80 PolarHBondContact O-N 3.48Å; E77-R80 WeakPolarHBondContact O-CB 3.35Å; E77-R80 PolarHBondContact O-N 2.84Å; E77-R80 IonicContact OE1-NE 3.85Å; E77-R80 IonicContact OE2-CZ 3.22Å; E77-R80 IonicContact OE2-NE 2.9Å; E77-R80 PolarHBondContact OE2-NE 2.91Å; E77-R80 IonicContact OE2-NH2 3.31Å; E77-R80 PolarHBondContact OE2-NH2 3.19Å; M78-R80 VanDerWaalsContact C-N 3.28Å; M78-R80 PolarHBondContact O-N 3.49Å; R80-S83 PolarHBondContact O-N 2.87Å; R80-L84 PolarHBondContact O-N 2.69Å; R80-L84 VanDerWaalsContact O-N 3.15Å |
| 81 | K | 98.1 | Very high | 96.4 | Very high | 123 Ų | 123 | 110.3 Ų | 110.3 | 54% | 0.535 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.7 | -178 | -179.8 | 178 | -178.6 | 0 | 111.6 | E77 M78 L84 V85 | E77-K81 PolarHBondContact O-N 3.19Å; M78-K81 WeakPolarHBondContact O-CB 3.48Å; M78-K81 PolarHBondContact O-N 3.31Å; M78-K81 VanDerWaalsContact O-N 3.17Å; M78-K81 HydrophobicContact SD-CD 4.23Å; K81-L84 WeakPolarHBondContact O-CB 3.45Å; K81-L84 PolarHBondContact O-N 2.83Å; K81-L84 VanDerWaalsContact O-N 3.17Å; K81-V85 HydrophobicContact CG-CG2 4.36Å; K81-V85 WeakPolarHBondContact O-CG2 3.39Å; K81-V85 PolarHBondContact O-N 2.91Å |
| 82 | I | 97.7 | Very high | 96 | Very high | 96 Ų | 96 | 110.3 Ų | 110.3 | 49% | 0.492 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 178.4 | -68.8 | 165.7 | 0 | 0 | 0 | 110.2 | M78 S79 L84 V85 I86 | M78-I82 HydrophobicContact CG-CD1 3.99Å; M78-I82 HydrophobicContact CG-CG1 4.47Å; M78-I82 VanDerWaalsContact O-CG1 3.29Å; M78-I82 WeakPolarHBondContact O-CG1 3.29Å; M78-I82 PolarHBondContact O-N 2.95Å; S79-I82 PolarHBondContact O-N 3.35Å; I82-L84 PolarHBondContact O-N 3.32Å; I82-V85 PolarHBondContact O-N 3.17Å; I82-I86 WeakPolarHBondContact O-CB 3.42Å; I82-I86 PolarHBondContact O-N 3.47Å |
| 83 | S | 96.9 | Very high | 95.8 | Very high | 68 Ų | 68 | 107.7 Ų | 107.7 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.5 | -25.1 | 177.5 | -60.4 | 0 | 0 | 0 | 0 | 113.7 | S79 R80 I86 | S79-S83 PolarHBondContact O-N 3.07Å; S79-S83 PolarHBondContact O-OG 3.17Å; S79-S83 VanDerWaalsContact O-OG 3.07Å; R80-S83 PolarHBondContact O-N 2.87Å; S83-I86 WeakPolarHBondContact O-CG2 3.45Å |
| 84 | L | 96.1 | Very high | 95.5 | Very high | 104 Ų | 104 | 113.5 Ų | 113.5 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -76.2 | -52.2 | 172.2 | -179.6 | 67.1 | 0 | 0 | 0 | 111.2 | R80 K81 I82 I86 R87 | R80-L84 PolarHBondContact O-N 2.69Å; R80-L84 VanDerWaalsContact O-N 3.15Å; K81-L84 WeakPolarHBondContact O-CB 3.45Å; K81-L84 PolarHBondContact O-N 2.83Å; K81-L84 VanDerWaalsContact O-N 3.17Å; I82-L84 PolarHBondContact O-N 3.32Å; L84-I86 PolarHBondContact O-N 3.17Å; L84-R87 WeakPolarHBondContact O-CB 3.44Å; L84-R87 PolarHBondContact O-N 2.9Å |
| 85 | V | 96.2 | Very high | 94.9 | Very high | 76 Ų | 76 | 111.9 Ų | 111.9 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.5 | -30.7 | -175.4 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | K81 I82 R87 T88 | K81-V85 HydrophobicContact CG-CG2 4.36Å; K81-V85 WeakPolarHBondContact O-CG2 3.39Å; K81-V85 PolarHBondContact O-N 2.91Å; I82-V85 PolarHBondContact O-N 3.17Å; V85-R87 PolarHBondContact O-N 2.96Å; V85-T88 PolarHBondContact O-N 2.88Å; V85-T88 PolarHBondContact O-OG1 3.05Å |
| 86 | I | 96 | Very high | 94.3 | Very high | 113 Ų | 113 | 123.3 Ų | 123.3 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -59.2 | -25.6 | 179.8 | -158.1 | 164.2 | 0 | 0 | 0 | 112.4 | I82 S83 L84 T88 H89 | I82-I86 WeakPolarHBondContact O-CB 3.42Å; I82-I86 PolarHBondContact O-N 3.47Å; S83-I86 WeakPolarHBondContact O-CG2 3.45Å; L84-I86 PolarHBondContact O-N 3.17Å; I86-T88 PolarHBondContact O-N 3.15Å; I86-H89 WeakPolarHBondContact O-CB 3.4Å; I86-H89 PolarHBondContact O-N 2.81Å; I86-H89 VanDerWaalsContact O-N 3.17Å |
| 87 | R | 91.1 | Very high | 94 | Very high | 194 Ų | 194 | 125.7 Ų | 125.7 | 73% | 0.732 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -65 | -25.5 | 174.7 | -60.8 | 179.5 | 178 | -173.7 | -3.1 | 113.1 | L84 V85 | L84-R87 WeakPolarHBondContact O-CB 3.44Å; L84-R87 PolarHBondContact O-N 2.9Å; V85-R87 PolarHBondContact O-N 2.96Å |
| 88 | T | 91.8 | Very high | 93.8 | Very high | 93 Ų | 93 | 127.7 Ų | 127.7 | 57% | 0.571 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -93.2 | -5.4 | 177.6 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | V85 I86 R90 | V85-T88 PolarHBondContact O-N 2.88Å; V85-T88 PolarHBondContact O-OG1 3.05Å; I86-T88 PolarHBondContact O-N 3.15Å; T88-R90 PolarHBondContact O-N 3.41Å |
| 89 | H | 92.7 | Very high | 93.5 | Very high | 168 Ų | 168 | 131.4 Ų | 131.4 | 78% | 0.778 | 63% | 0.632 | S | S | * | * | trans | -78 | 55 | 177.2 | -168.2 | -75.2 | 0 | 0 | 0 | 111.6 | I86 | I86-H89 WeakPolarHBondContact O-CB 3.4Å; I86-H89 PolarHBondContact O-N 2.81Å; I86-H89 VanDerWaalsContact O-N 3.17Å | ||
| 90 | R | 91 | Very high | 93.3 | Very high | 168 Ų | 168 | 135.1 Ų | 135.1 | 63% | 0.634 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -104.5 | 163.3 | 169.9 | 60.3 | 177.7 | -176 | -93.3 | 0.4 | 109.1 | T88 | T88-R90 PolarHBondContact O-N 3.41Š|
| 91 | V | 91.8 | Very high | 93 | Very high | 133 Ų | 133 | 134.3 Ų | 134.3 | 81% | 0.806 | 65% | 0.646 | S | S | * | * | trans | -55.5 | 140.8 | 167.6 | -179 | 0 | 0 | 0 | 0 | 108.5 | P93 | V91-P93 WeakPolarHBondContact O-CD 3.38Š| ||
| 92 | D | 91.5 | Very high | 92.6 | Very high | 103 Ų | 103 | 135 Ų | 135 | 55% | 0.551 | 65% | 0.653 | S | S | * | * | trans | -55.1 | 120.9 | 177.1 | -175 | 7.4 | 0 | 0 | 0 | 109.4 | W94 | D92-W94 PolarHBondContact O-N 3.31Å; D92-W94 PolarHBondContact OD1-N 3.13Å; D92-W94 VanDerWaalsContact OD1-N 3.13Å | ||
| 93 | P | 93.1 | Very high | 92.3 | Very high | 69 Ų | 69 | 137.8 Ų | 137.8 | 45% | 0.448 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -65.7 | -15 | 177.8 | 25.5 | -34.3 | 0 | 0 | 0 | 113.2 | V91 P95 | V91-P93 WeakPolarHBondContact O-CD 3.38Å; P93-P95 VanDerWaalsContact C-CD 3.4Å; P93-P95 VanDerWaalsContact O-CD 3.31Å; P93-P95 WeakPolarHBondContact O-CD 3.31Å |
| 94 | W | 93.1 | Very high | 91.9 | Very high | 208 Ų | 208 | 143.2 Ų | 143.2 | 79% | 0.788 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -121.5 | 67.5 | -176.5 | -49 | 112.8 | 0 | 0 | 0 | 112.1 | D92 R96 | D92-W94 PolarHBondContact O-N 3.31Å; D92-W94 PolarHBondContact OD1-N 3.13Å; D92-W94 VanDerWaalsContact OD1-N 3.13Å; W94-R96 PolarHBondContact O-N 3.22Å |
| 95 | P | 86.1 | Confident | 91.6 | Very high | 112 Ų | 112 | 146.4 Ų | 146.4 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -62.3 | 128.1 | 172.8 | 28 | -32.3 | 0 | 0 | 0 | 109.3 | P93 | P93-P95 VanDerWaalsContact C-CD 3.4Å; P93-P95 VanDerWaalsContact O-CD 3.31Å; P93-P95 WeakPolarHBondContact O-CD 3.31Å | ||
| 96 | R | 84.5 | Confident | 91.1 | Very high | 320 Ų | 320 | 152.8 Ų | 152.8 | 100% | 1.208 | 71% | 0.711 | S | S | * | * | trans | -83.5 | 0 | 171.7 | -83.9 | -173.9 | -80.1 | -138.8 | -5.1 | 111.5 | W94 | W94-R96 PolarHBondContact O-N 3.22Š|
Retrieved 96 of 96 residues in 131.8 ms
(Link to these results)