| 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 | 33.9 | Very low | 54.6 | Low | 246 Ų | 246 | 125.2 Ų | 125.2 | 100% | 1.212 | 72% | 0.721 | S | S | * | * | 0 | 109.4 | 0 | -67.3 | 173.2 | 176.6 | 0 | 0 | 106 | |||||
| 2 | L | 37.9 | Very low | 56.9 | Low | 179 Ų | 179 | 117.5 Ų | 117.5 | 94% | 0.937 | 68% | 0.678 | S | S | * | * | trans | -94.9 | 129.3 | 175.1 | -69.6 | 170.3 | 0 | 0 | 0 | 107.4 | ||||
| 3 | N | 35.6 | Very low | 59.1 | Low | 139 Ų | 139 | 114.3 Ų | 114.3 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | trans | -93.1 | 119.6 | -174.5 | -162.5 | 29.3 | 0 | 0 | 0 | 108.5 | A5 | N3-A5 PolarHBondContact O-N 2.85Å; N3-A5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | P | 43.4 | Very low | 61.1 | Low | 126 Ų | 126 | 110.1 Ų | 110.1 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 17 | -174 | 34.4 | -37.1 | 0 | 0 | 0 | 113.5 | ||
| 5 | A | 44.5 | Very low | 62.7 | Low | 70 Ų | 70 | 106.9 Ų | 106.9 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -6.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N3 | N3-A5 PolarHBondContact O-N 2.85Å; N3-A5 VanDerWaalsContact O-N 3.09Å |
| 6 | N | 47.3 | Very low | 64.2 | Low | 155 Ų | 155 | 103.6 Ų | 103.6 | 83% | 0.829 | 60% | 0.596 | S | S | * | * | trans | -114.4 | 79 | 176.2 | -71.6 | 23.7 | 0 | 0 | 0 | 109.5 | D8 | N6-D8 PolarHBondContact O-N 3.43Š| ||
| 7 | G | 57.1 | Low | 65.7 | Low | 55 Ų | 55 | 101.5 Ų | 101.5 | 57% | 0.567 | 58% | 0.584 | S | S | * | * | trans | -64.8 | 124.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 8 | D | 71.1 | Confident | 67 | Low | 97 Ų | 97 | 101.7 Ų | 101.7 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | trans | -59.5 | 124.3 | 176.3 | -169.2 | -34.9 | 0 | 0 | 0 | 108 | N6 V10 H11 V12 | N6-D8 PolarHBondContact O-N 3.43Å; D8-V10 PolarHBondContact O-N 2.96Å; D8-V10 WeakPolarHBondContact OD1-CB 3.37Å; D8-V10 WeakPolarHBondContact OD1-CG2 3.17Å; D8-V10 PolarHBondContact OD1-N 2.67Å; D8-V10 VanDerWaalsContact OD1-N 3.08Å; D8-H11 HydrophobicContact CB-CB 4.21Å; D8-H11 WeakPolarHBondContact O-CA 3.35Å; D8-H11 VanDerWaalsContact O-CB 3.31Å; D8-H11 WeakPolarHBondContact O-CB 3.41Å; D8-H11 PolarHBondContact O-N 2.86Å; D8-V12 PolarHBondContact O-N 3.2Å | ||
| 9 | P | 70.4 | Confident | 68.1 | Low | 77 Ų | 77 | 99.8 Ų | 99.8 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -57.4 | -24.7 | -178.2 | 21.4 | -33.1 | 0 | 0 | 0 | 112.6 | V12 V13 | P9-V12 PolarHBondContact O-N 2.84Å; P9-V13 WeakPolarHBondContact O-CG2 3.37Å; P9-V13 PolarHBondContact O-N 3.37Å; P9-V13 VanDerWaalsContact O-N 3.17Å |
| 10 | V | 77.9 | Confident | 69.2 | Low | 107 Ų | 107 | 99.5 Ų | 99.5 | 65% | 0.648 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.8 | -39.5 | 171.6 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | D8 V13 S14 | D8-V10 PolarHBondContact O-N 2.96Å; D8-V10 WeakPolarHBondContact OD1-CB 3.37Å; D8-V10 WeakPolarHBondContact OD1-CG2 3.17Å; D8-V10 PolarHBondContact OD1-N 2.67Å; D8-V10 VanDerWaalsContact OD1-N 3.08Å; V10-V13 PolarHBondContact O-N 3.15Å; V10-S14 PolarHBondContact O-N 2.88Å |
| 11 | H | 81.1 | Confident | 70.3 | Confident | 126 Ų | 126 | 98.6 Ų | 98.6 | 58% | 0.583 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.1 | -35 | 178.5 | -167.7 | -47.4 | 0 | 0 | 0 | 112.1 | D8 S14 N15 | D8-H11 HydrophobicContact CB-CB 4.21Å; D8-H11 WeakPolarHBondContact O-CA 3.35Å; D8-H11 VanDerWaalsContact O-CB 3.31Å; D8-H11 WeakPolarHBondContact O-CB 3.41Å; D8-H11 PolarHBondContact O-N 2.86Å; H11-S14 PolarHBondContact O-N 3.4Å; H11-N15 VanDerWaalsContact O-CB 3.31Å; H11-N15 WeakPolarHBondContact O-CB 3.37Å; H11-N15 PolarHBondContact O-N 2.78Å |
| 12 | V | 82.4 | Confident | 73 | Confident | 33 Ų | 33 | 92.2 Ų | 92.2 | 20% | 0.2 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 175.2 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | D8 P9 Y16 L113 L114 | D8-V12 PolarHBondContact O-N 3.2Å; P9-V12 PolarHBondContact O-N 2.84Å; V12-Y16 PolarHBondContact O-N 3.38Å; V12-Y16 VanDerWaalsContact O-N 3.12Å; V12-L113 HydrophobicContact CG1-CD2 4.3Å; V12-L113 HydrophobicContact CG1-CG 4.17Å; V12-L114 HydrophobicContact CG1-CD2 3.94Å |
| 13 | V | 85.7 | Confident | 75.6 | Confident | 76 Ų | 76 | 85.1 Ų | 85.1 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 175.2 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | P9 V10 Y16 V17 L114 | P9-V13 WeakPolarHBondContact O-CG2 3.37Å; P9-V13 PolarHBondContact O-N 3.37Å; P9-V13 VanDerWaalsContact O-N 3.17Å; V10-V13 PolarHBondContact O-N 3.15Å; V13-Y16 PolarHBondContact O-N 3.42Å; V13-V17 WeakPolarHBondContact O-CG2 3.47Å; V13-V17 PolarHBondContact O-N 3.16Å; V13-V17 VanDerWaalsContact O-N 3.08Å; V13-L114 HydrophobicContact CB-CD2 4.42Å; V13-L114 HydrophobicContact CG2-CD2 3.71Å |
| 14 | S | 87.1 | Confident | 78.1 | Confident | 55 Ų | 55 | 81.7 Ų | 81.7 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 176.7 | -151.4 | 0 | 0 | 0 | 0 | 111.1 | V10 H11 Y16 V17 E18 | V10-S14 PolarHBondContact O-N 2.88Å; H11-S14 PolarHBondContact O-N 3.4Å; S14-Y16 VanDerWaalsContact C-N 3.34Å; S14-Y16 PolarHBondContact O-N 3.44Å; S14-V17 PolarHBondContact O-N 2.98Å; S14-V17 VanDerWaalsContact O-N 3.08Å; S14-E18 WeakPolarHBondContact CB-OE1 3.25Å; S14-E18 WeakPolarHBondContact O-CG 3.39Å; S14-E18 PolarHBondContact O-N 3.44Å; S14-E18 PolarHBondContact OG-OE1 3.26Å |
| 15 | N | 85.6 | Confident | 80.5 | Confident | 63 Ų | 63 | 81.8 Ų | 81.8 | 34% | 0.337 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | -179.2 | -158.3 | 94.9 | 0 | 0 | 0 | 111.6 | H11 E18 E19 | H11-N15 VanDerWaalsContact O-CB 3.31Å; H11-N15 WeakPolarHBondContact O-CB 3.37Å; H11-N15 PolarHBondContact O-N 2.78Å; N15-E18 PolarHBondContact O-N 2.97Å; N15-E19 PolarHBondContact ND2-OE1 3.39Å; N15-E19 PolarHBondContact ND2-OE2 2.94Å; N15-E19 WeakPolarHBondContact O-CB 3.45Å; N15-E19 VanDerWaalsContact O-CG 3.25Å; N15-E19 WeakPolarHBondContact O-CG 3.15Å; N15-E19 PolarHBondContact O-N 3.47Å |
| 16 | Y | 86.9 | Confident | 82.8 | Confident | 54 Ų | 54 | 80.9 Ų | 80.9 | 21% | 0.212 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 173.6 | 169.3 | -114.9 | 0 | 0 | 0 | 113.1 | V12 V13 S14 E18 E19 Y20 H110 L114 | V12-Y16 PolarHBondContact O-N 3.38Å; V12-Y16 VanDerWaalsContact O-N 3.12Å; V13-Y16 PolarHBondContact O-N 3.42Å; S14-Y16 VanDerWaalsContact C-N 3.34Å; S14-Y16 PolarHBondContact O-N 3.44Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-E19 PolarHBondContact O-N 2.86Å; Y16-Y20 HydrophobicContact CE2-CD2 4.48Å; Y16-Y20 WeakPolarHBondContact O-CB 3.42Å; Y16-Y20 PolarHBondContact O-N 3.25Å; Y16-H110 HydrophobicContact CD2-CB 3.3Å; Y16-H110 HydrophobicContact CE2-CB 3.76Å; Y16-H110 HydrophobicContact CG-CB 4.36Å; Y16-L114 HydrophobicContact CD1-CD1 3.17Å; Y16-L114 HydrophobicContact CD1-CG 4.4Å; Y16-L114 HydrophobicContact CD2-CD1 4.13Å; Y16-L114 HydrophobicContact CE1-CD1 3.62Å; Y16-L114 HydrophobicContact CE2-CD1 4.47Å; Y16-L114 HydrophobicContact CG-CD1 3.4Å; Y16-L114 HydrophobicContact CG-CG 4.23Å |
| 17 | V | 89.6 | Confident | 85.1 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | -176.7 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | V13 S14 L21 | V13-V17 WeakPolarHBondContact O-CG2 3.47Å; V13-V17 PolarHBondContact O-N 3.16Å; V13-V17 VanDerWaalsContact O-N 3.08Å; S14-V17 PolarHBondContact O-N 2.98Å; S14-V17 VanDerWaalsContact O-N 3.08Å; V17-L21 HydrophobicContact CG1-CD1 3.85Å; V17-L21 HydrophobicContact CG1-CG 4.4Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 WeakPolarHBondContact O-CD1 3.36Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.44Å |
| 18 | E | 89.4 | Confident | 87 | Confident | 106 Ų | 106 | 76.2 Ų | 76.2 | 50% | 0.495 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.3 | -53.9 | 174.4 | -70.7 | 160.9 | -134.8 | 0 | 0 | 111 | S14 N15 Y16 Y20 L21 D22 | S14-E18 WeakPolarHBondContact CB-OE1 3.25Å; S14-E18 WeakPolarHBondContact O-CG 3.39Å; S14-E18 PolarHBondContact O-N 3.44Å; S14-E18 PolarHBondContact OG-OE1 3.26Å; N15-E18 PolarHBondContact O-N 2.97Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; E18-Y20 PolarHBondContact O-N 2.81Å; E18-L21 PolarHBondContact O-N 3.45Å; E18-D22 PolarHBondContact O-N 2.85Å |
| 19 | E | 87.3 | Confident | 88.2 | Confident | 65 Ų | 65 | 78.1 Ų | 78.1 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 179.3 | -68.8 | 165.9 | 144.8 | 0 | 0 | 112.8 | N15 Y16 L23 H110 | N15-E19 PolarHBondContact ND2-OE1 3.39Å; N15-E19 PolarHBondContact ND2-OE2 2.94Å; N15-E19 WeakPolarHBondContact O-CB 3.45Å; N15-E19 VanDerWaalsContact O-CG 3.25Å; N15-E19 WeakPolarHBondContact O-CG 3.15Å; N15-E19 PolarHBondContact O-N 3.47Å; Y16-E19 PolarHBondContact O-N 2.86Å; E19-L23 WeakPolarHBondContact O-CB 3.39Å; E19-L23 VanDerWaalsContact O-CG 3.24Å; E19-L23 WeakPolarHBondContact O-CG 3.49Å; E19-L23 PolarHBondContact O-N 2.98Å; E19-L23 VanDerWaalsContact O-N 3.1Å; E19-H110 IonicContact OE1-CE1 2.9Å; E19-H110 IonicContact OE2-CE1 3.94Å; E19-H110 PolarHBondContact OE2-CE1 2.89Å; E19-H110 IonicContact OE2-CG 2.65Å; E19-H110 IonicContact OE2-ND1 2.82Å; E19-H110 PolarHBondContact OE2-ND1 3.42Å; E19-H110 IonicContact OE2-NE2 2.63Å |
| 20 | Y | 90.7 | Very high | 89.5 | Confident | 93 Ų | 93 | 77 Ų | 77 | 37% | 0.365 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 175.9 | 176.6 | -93.7 | 0 | 0 | 0 | 112 | Y16 E18 L23 V24 V107 | Y16-Y20 HydrophobicContact CE2-CD2 4.48Å; Y16-Y20 WeakPolarHBondContact O-CB 3.42Å; Y16-Y20 PolarHBondContact O-N 3.25Å; E18-Y20 PolarHBondContact O-N 2.81Å; Y20-L23 PolarHBondContact O-N 2.98Å; Y20-V24 HydrophobicContact CD1-CG2 4.3Å; Y20-V24 HydrophobicContact CD2-CG2 4.34Å; Y20-V24 HydrophobicContact CE1-CG2 3.87Å; Y20-V24 HydrophobicContact CE2-CG2 3.9Å; Y20-V24 WeakPolarHBondContact O-CB 3.41Å; Y20-V24 WeakPolarHBondContact O-CG2 3.5Å; Y20-V24 PolarHBondContact O-N 2.93Å; Y20-V107 HydrophobicContact CD2-CG1 4.12Å; Y20-V107 HydrophobicContact CD2-CG2 4.02Å; Y20-V107 HydrophobicContact CE2-CG1 4.15Å; Y20-V107 HydrophobicContact CE2-CG2 4.35Å |
| 21 | L | 92.1 | Very high | 90.4 | Very high | 81 Ų | 81 | 73.8 Ų | 73.8 | 42% | 0.424 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66 | -46.6 | 177.5 | -73.1 | 170.6 | 0 | 0 | 0 | 110.9 | V17 E18 L23 V24 E25 | V17-L21 HydrophobicContact CG1-CD1 3.85Å; V17-L21 HydrophobicContact CG1-CG 4.4Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 WeakPolarHBondContact O-CD1 3.36Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.44Å; E18-L21 PolarHBondContact O-N 3.45Å; L21-L23 VanDerWaalsContact C-N 3.26Å; L21-L23 PolarHBondContact O-N 3Å; L21-V24 PolarHBondContact O-N 3.27Å; L21-E25 WeakPolarHBondContact O-CB 3.42Å; L21-E25 WeakPolarHBondContact O-CG 3.3Å; L21-E25 PolarHBondContact O-N 2.93Å |
| 22 | D | 90.8 | Very high | 91.2 | Very high | 112 Ų | 112 | 73.7 Ų | 73.7 | 60% | 0.599 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -55.5 | -41.9 | 176 | -79.5 | -10.4 | 0 | 0 | 0 | 111.8 | E18 S26 | E18-D22 PolarHBondContact O-N 2.85Å; D22-S26 VanDerWaalsContact O-CB 3.24Å; D22-S26 WeakPolarHBondContact O-CB 3.39Å; D22-S26 PolarHBondContact O-N 3.37Å; D22-S26 PolarHBondContact O-OG 3.35Å |
| 23 | L | 91.3 | Very high | 92 | Very high | 30 Ų | 30 | 80.2 Ų | 80.2 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.7 | -45.7 | 177.4 | -74 | 170.5 | 0 | 0 | 0 | 113.3 | E19 Y20 L21 E25 S26 L27 Q106 V107 | E19-L23 WeakPolarHBondContact O-CB 3.39Å; E19-L23 VanDerWaalsContact O-CG 3.24Å; E19-L23 WeakPolarHBondContact O-CG 3.49Å; E19-L23 PolarHBondContact O-N 2.98Å; E19-L23 VanDerWaalsContact O-N 3.1Å; Y20-L23 PolarHBondContact O-N 2.98Å; L21-L23 VanDerWaalsContact C-N 3.26Å; L21-L23 PolarHBondContact O-N 3Å; L23-E25 VanDerWaalsContact C-N 3.35Å; L23-S26 PolarHBondContact O-OG 2.92Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.32Å; L23-Q106 HydrophobicContact CD1-CB 3.89Å; L23-V107 HydrophobicContact CD1-CG2 4.22Å |
| 24 | V | 89.3 | Confident | 92.6 | Very high | 68 Ų | 68 | 77.3 Ų | 77.3 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.6 | -30.4 | -178.7 | 171.8 | 0 | 0 | 0 | 0 | 112 | Y20 L21 P28 | Y20-V24 HydrophobicContact CD1-CG2 4.3Å; Y20-V24 HydrophobicContact CD2-CG2 4.34Å; Y20-V24 HydrophobicContact CE1-CG2 3.87Å; Y20-V24 HydrophobicContact CE2-CG2 3.9Å; Y20-V24 WeakPolarHBondContact O-CB 3.41Å; Y20-V24 WeakPolarHBondContact O-CG2 3.5Å; Y20-V24 PolarHBondContact O-N 2.93Å; L21-V24 PolarHBondContact O-N 3.27Å; V24-P28 WeakPolarHBondContact O-CD 3.41Å; V24-P28 WeakPolarHBondContact O-CG 3.43Å |
| 25 | E | 93.4 | Very high | 93.1 | Very high | 128 Ų | 128 | 77.2 Ų | 77.2 | 60% | 0.598 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -77.2 | -39.7 | 174.6 | -70.5 | -169.6 | -176.8 | 0 | 0 | 112.4 | L21 L23 F29 | L21-E25 WeakPolarHBondContact O-CB 3.42Å; L21-E25 WeakPolarHBondContact O-CG 3.3Å; L21-E25 PolarHBondContact O-N 2.93Å; L23-E25 VanDerWaalsContact C-N 3.35Å; E25-F29 WeakPolarHBondContact O-CD2 3.42Å; E25-F29 WeakPolarHBondContact O-CE2 3.36Å |
| 26 | S | 93.2 | Very high | 93.7 | Very high | 51 Ų | 51 | 77.1 Ų | 77.1 | 36% | 0.357 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -77.5 | -44.5 | -177.6 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | D22 L23 P28 F29 D30 | D22-S26 VanDerWaalsContact O-CB 3.24Å; D22-S26 WeakPolarHBondContact O-CB 3.39Å; D22-S26 PolarHBondContact O-N 3.37Å; D22-S26 PolarHBondContact O-OG 3.35Å; L23-S26 PolarHBondContact O-OG 2.92Å; S26-P28 VanDerWaalsContact C-CD 3.47Å; S26-F29 PolarHBondContact O-N 3.17Å; S26-D30 PolarHBondContact O-N 3.41Å |
| 27 | L | 94.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 78.4 Ų | 78.4 | 20% | 0.204 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -53.1 | -42.5 | -173.3 | 178.4 | 68.7 | 0 | 0 | 0 | 114.2 | L23 F29 D30 L31 L99 V100 C103 | L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.32Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.03Å; L27-D30 PolarHBondContact O-N 3.38Å; L27-L31 HydrophobicContact CD1-CD1 3.96Å; L27-L31 HydrophobicContact CD1-CG 3.94Å; L27-L31 HydrophobicContact CD2-CD1 4.46Å; L27-L31 HydrophobicContact CG-CD1 3.89Å; L27-L31 HydrophobicContact CG-CG 4.27Å; L27-L31 WeakPolarHBondContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.41Å; L27-L31 PolarHBondContact O-N 3.39Å; L27-L99 HydrophobicContact CD1-CB 4.3Å; L27-V100 HydrophobicContact CD1-CG2 4.34Å; L27-C103 HydrophobicContact CD2-CB 4.11Å |
| 28 | P | 96.8 | Very high | 94.7 | Very high | 72 Ų | 72 | 77 Ų | 77 | 47% | 0.468 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 176.8 | -24.7 | 35.5 | 0 | 0 | 0 | 113.5 | V24 S26 Q32 | V24-P28 WeakPolarHBondContact O-CD 3.41Å; V24-P28 WeakPolarHBondContact O-CG 3.43Å; S26-P28 VanDerWaalsContact C-CD 3.47Å; P28-Q32 WeakPolarHBondContact O-CB 3.41Å; P28-Q32 PolarHBondContact O-N 2.85Å |
| 29 | F | 97.3 | Very high | 95.1 | Very high | 138 Ų | 138 | 78.8 Ų | 78.8 | 61% | 0.605 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -73.4 | -40.1 | 179.7 | -62.3 | -66.2 | 0 | 0 | 0 | 112 | E25 S26 L27 Q32 R33 | E25-F29 WeakPolarHBondContact O-CD2 3.42Å; E25-F29 WeakPolarHBondContact O-CE2 3.36Å; S26-F29 PolarHBondContact O-N 3.17Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.03Å; F29-Q32 PolarHBondContact O-N 3.47Å; F29-R33 PolarHBondContact O-N 3.32Å |
| 30 | D | 96.7 | Very high | 95.6 | Very high | 52 Ų | 52 | 81.9 Ų | 81.9 | 28% | 0.278 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.9 | -36.9 | 177.3 | -74.5 | -39 | 0 | 0 | 0 | 112.2 | S26 L27 R33 S34 L99 | S26-D30 PolarHBondContact O-N 3.41Å; L27-D30 PolarHBondContact O-N 3.38Å; D30-R33 PolarHBondContact O-N 2.89Å; D30-R33 IonicContact OD1-CZ 3.64Å; D30-R33 IonicContact OD1-NH1 2.81Å; D30-R33 PolarHBondContact OD1-NH1 3.36Å; D30-R33 IonicContact OD1-NH2 3.99Å; D30-S34 WeakPolarHBondContact O-CB 3.49Å; D30-S34 PolarHBondContact O-N 3.04Å; D30-S34 PolarHBondContact O-OG 2.97Å; D30-L99 HydrophobicContact CB-CD1 4.43Å |
| 31 | L | 97.6 | Very high | 96 | Very high | 41 Ų | 41 | 78.2 Ų | 78.2 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 168.7 | -72.6 | 177 | 0 | 0 | 0 | 111.6 | L27 R33 S34 V35 M96 V100 | L27-L31 HydrophobicContact CD1-CD1 3.96Å; L27-L31 HydrophobicContact CD1-CG 3.94Å; L27-L31 HydrophobicContact CD2-CD1 4.46Å; L27-L31 HydrophobicContact CG-CD1 3.89Å; L27-L31 HydrophobicContact CG-CG 4.27Å; L27-L31 WeakPolarHBondContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.41Å; L27-L31 PolarHBondContact O-N 3.39Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.41Å; L31-S34 PolarHBondContact O-N 3.46Å; L31-V35 WeakPolarHBondContact O-CB 3.48Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 3.01Å; L31-M96 HydrophobicContact CD2-CB 4.12Å; L31-M96 HydrophobicContact CD2-CE 4.2Å; L31-M96 HydrophobicContact CD2-CG 4.17Å; L31-V100 HydrophobicContact CD1-CG2 4Å; L31-V100 HydrophobicContact CD2-CG2 4.03Å |
| 32 | Q | 98.2 | Very high | 96.3 | Very high | 123 Ų | 123 | 76.5 Ų | 76.5 | 58% | 0.575 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.5 | -40.4 | 176 | -177.9 | 177.4 | -3 | 0 | 0 | 111.9 | P28 F29 S36 | P28-Q32 WeakPolarHBondContact O-CB 3.41Å; P28-Q32 PolarHBondContact O-N 2.85Å; F29-Q32 PolarHBondContact O-N 3.47Å; Q32-S36 WeakPolarHBondContact O-CB 3.31Å; Q32-S36 PolarHBondContact O-N 2.93Å; Q32-S36 PolarHBondContact O-OG 2.91Å |
| 33 | R | 98.1 | Very high | 96.6 | Very high | 170 Ų | 170 | 73.4 Ų | 73.4 | 64% | 0.642 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.8 | -50.2 | 173 | -174.2 | -172.6 | -67.9 | 133.6 | 4.5 | 110.9 | F29 D30 L31 V35 S36 L37 | F29-R33 PolarHBondContact O-N 3.32Å; D30-R33 PolarHBondContact O-N 2.89Å; D30-R33 IonicContact OD1-CZ 3.64Å; D30-R33 IonicContact OD1-NH1 2.81Å; D30-R33 PolarHBondContact OD1-NH1 3.36Å; D30-R33 IonicContact OD1-NH2 3.99Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.41Å; R33-V35 PolarHBondContact O-N 2.93Å; R33-S36 WeakPolarHBondContact O-CB 3.21Å; R33-S36 PolarHBondContact O-N 3.42Å; R33-S36 VanDerWaalsContact O-N 3.12Å; R33-L37 PolarHBondContact O-N 3.3Å |
| 34 | S | 98.2 | Very high | 97 | Very high | 16 Ų | 16 | 74.5 Ų | 74.5 | 11% | 0.112 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | -179.1 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | D30 L31 S36 L37 M38 I92 | D30-S34 WeakPolarHBondContact O-CB 3.49Å; D30-S34 PolarHBondContact O-N 3.04Å; D30-S34 PolarHBondContact O-OG 2.97Å; L31-S34 PolarHBondContact O-N 3.46Å; S34-S36 VanDerWaalsContact C-N 3.31Å; S34-S36 PolarHBondContact O-N 2.97Å; S34-L37 PolarHBondContact O-N 3.29Å; S34-M38 WeakPolarHBondContact O-CB 3.35Å; S34-M38 PolarHBondContact O-N 3.27Å; S34-I92 WeakPolarHBondContact O-CG2 3.49Å |
| 35 | V | 98.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 74.5 Ų | 74.5 | 32% | 0.321 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -33.7 | 173.7 | 169.8 | 0 | 0 | 0 | 0 | 112.1 | L31 R33 K39 M96 | L31-V35 WeakPolarHBondContact O-CB 3.48Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 3.01Å; R33-V35 PolarHBondContact O-N 2.93Å; V35-K39 HydrophobicContact CG1-CD 4.36Å; V35-K39 VanDerWaalsContact O-CG 3.31Å; V35-K39 WeakPolarHBondContact O-CG 2.94Å; V35-K39 PolarHBondContact O-N 3.31Å; V35-K39 VanDerWaalsContact O-N 3.09Å; V35-M96 HydrophobicContact CG2-CE 3.46Å; V35-M96 VanDerWaalsContact CG2-CE 3.46Å; V35-M96 HydrophobicContact CG2-SD 4.07Å |
| 36 | S | 98.3 | Very high | 97.6 | Very high | 61 Ų | 61 | 74.2 Ų | 74.2 | 43% | 0.427 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.2 | -44.1 | 177.7 | -58 | 0 | 0 | 0 | 0 | 111 | Q32 R33 S34 K39 E40 | Q32-S36 WeakPolarHBondContact O-CB 3.31Å; Q32-S36 PolarHBondContact O-N 2.93Å; Q32-S36 PolarHBondContact O-OG 2.91Å; R33-S36 WeakPolarHBondContact O-CB 3.21Å; R33-S36 PolarHBondContact O-N 3.42Å; R33-S36 VanDerWaalsContact O-N 3.12Å; S34-S36 VanDerWaalsContact C-N 3.31Å; S34-S36 PolarHBondContact O-N 2.97Å; S36-K39 PolarHBondContact O-N 3.15Å; S36-E40 PolarHBondContact O-N 2.92Å |
| 37 | L | 98.3 | Very high | 97.8 | Very high | 81 Ų | 81 | 77.1 Ų | 77.1 | 42% | 0.424 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 173.3 | -175.2 | 65.6 | 0 | 0 | 0 | 111.6 | R33 S34 K39 E40 I41 I92 | R33-L37 PolarHBondContact O-N 3.3Å; S34-L37 PolarHBondContact O-N 3.29Å; L37-K39 VanDerWaalsContact C-N 3.26Å; L37-K39 PolarHBondContact O-N 2.78Å; L37-E40 WeakPolarHBondContact O-CB 3.23Å; L37-E40 PolarHBondContact O-N 3.17Å; L37-E40 VanDerWaalsContact O-N 3.11Å; L37-I41 PolarHBondContact O-N 3.04Å; L37-I92 HydrophobicContact CB-CD1 4.32Å; L37-I92 HydrophobicContact CD2-CD1 3.66Å; L37-I92 HydrophobicContact CD2-CG1 4.11Å; L37-I92 HydrophobicContact CG-CD1 3.65Å |
| 38 | M | 98.4 | Very high | 97.8 | Very high | 36 Ų | 36 | 75.6 Ų | 75.6 | 18% | 0.177 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -53.9 | -44.2 | 173.8 | -174 | 74.9 | 75 | 0 | 0 | 111.4 | S34 E40 I41 D42 K89 I92 A93 | S34-M38 WeakPolarHBondContact O-CB 3.35Å; S34-M38 PolarHBondContact O-N 3.27Å; M38-E40 VanDerWaalsContact C-N 3.34Å; M38-E40 PolarHBondContact O-N 3.41Å; M38-I41 PolarHBondContact O-N 3.48Å; M38-D42 VanDerWaalsContact O-CB 3.31Å; M38-D42 WeakPolarHBondContact O-CB 3.31Å; M38-D42 PolarHBondContact O-N 3.29Å; M38-D42 VanDerWaalsContact O-OD1 3.12Å; M38-K89 WeakPolarHBondContact CE-O 3.49Å; M38-K89 HydrophobicContact SD-CB 3.84Å; M38-K89 HydrophobicContact SD-CG 3.83Å; M38-I92 HydrophobicContact CB-CG2 4.34Å; M38-I92 HydrophobicContact CE-CB 3.78Å; M38-I92 HydrophobicContact CE-CG2 3.77Å; M38-I92 HydrophobicContact SD-CB 4.49Å; M38-A93 HydrophobicContact CE-CB 3.83Å |
| 39 | K | 98.4 | Very high | 97.8 | Very high | 145 Ų | 145 | 75 Ų | 75 | 63% | 0.63 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.1 | -34.4 | 178.9 | -75.6 | 170.5 | 179.7 | 177.6 | 0 | 113.5 | V35 S36 L37 A43 | V35-K39 HydrophobicContact CG1-CD 4.36Å; V35-K39 VanDerWaalsContact O-CG 3.31Å; V35-K39 WeakPolarHBondContact O-CG 2.94Å; V35-K39 PolarHBondContact O-N 3.31Å; V35-K39 VanDerWaalsContact O-N 3.09Å; S36-K39 PolarHBondContact O-N 3.15Å; L37-K39 VanDerWaalsContact C-N 3.26Å; L37-K39 PolarHBondContact O-N 2.78Å; K39-A43 PolarHBondContact O-N 2.89Å |
| 40 | E | 98.2 | Very high | 97.8 | Very high | 129 Ų | 129 | 74.4 Ų | 74.4 | 60% | 0.603 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.6 | -43.5 | 176.2 | -174.8 | 174.3 | -176.5 | 0 | 0 | 111.4 | S36 L37 M38 A43 T44 | S36-E40 PolarHBondContact O-N 2.92Å; L37-E40 WeakPolarHBondContact O-CB 3.23Å; L37-E40 PolarHBondContact O-N 3.17Å; L37-E40 VanDerWaalsContact O-N 3.11Å; M38-E40 VanDerWaalsContact C-N 3.34Å; M38-E40 PolarHBondContact O-N 3.41Å; E40-A43 PolarHBondContact O-N 3.09Å; E40-T44 PolarHBondContact O-N 3.07Å; E40-T44 VanDerWaalsContact O-N 3.1Å; E40-T44 PolarHBondContact O-OG1 3.14Å |
| 41 | I | 98.1 | Very high | 97.8 | Very high | 16 Ų | 16 | 76.6 Ų | 76.6 | 8% | 0.082 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.4 | -38.7 | 173.7 | -56.1 | -169.7 | 0 | 0 | 0 | 110.9 | L37 M38 A43 T44 Y45 L85 E88 K89 I92 | L37-I41 PolarHBondContact O-N 3.04Å; M38-I41 PolarHBondContact O-N 3.48Å; I41-A43 PolarHBondContact O-N 3.44Å; I41-T44 PolarHBondContact O-N 3.1Å; I41-Y45 WeakPolarHBondContact O-CB 3.28Å; I41-Y45 PolarHBondContact O-N 3.11Å; I41-L85 HydrophobicContact CG2-CB 4.3Å; I41-L85 HydrophobicContact CG2-CD2 4.01Å; I41-E88 HydrophobicContact CD1-CB 3.93Å; I41-K89 HydrophobicContact CB-CG 4.21Å; I41-K89 HydrophobicContact CG2-CD 4.24Å; I41-K89 HydrophobicContact CG2-CG 3.65Å; I41-I92 HydrophobicContact CD1-CD1 3.53Å; I41-I92 HydrophobicContact CG1-CD1 4.38Å |
| 42 | D | 98.3 | Very high | 97.8 | Very high | 45 Ų | 45 | 75.7 Ų | 75.7 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 174.8 | -95.5 | 60.3 | 0 | 0 | 0 | 112.8 | M38 Y45 Q46 K89 | M38-D42 VanDerWaalsContact O-CB 3.31Å; M38-D42 WeakPolarHBondContact O-CB 3.31Å; M38-D42 PolarHBondContact O-N 3.29Å; M38-D42 VanDerWaalsContact O-OD1 3.12Å; D42-Y45 PolarHBondContact O-N 2.71Å; D42-Q46 WeakPolarHBondContact O-CB 3.34Å; D42-Q46 VanDerWaalsContact O-CG 3.3Å; D42-Q46 WeakPolarHBondContact O-CG 3.43Å; D42-Q46 PolarHBondContact O-N 3.04Å; D42-K89 VanDerWaalsContact OD1-CD 3.23Å; D42-K89 WeakPolarHBondContact OD1-CD 3.1Å; D42-K89 WeakPolarHBondContact OD1-CE 3.24Å; D42-K89 IonicContact OD1-NZ 2.74Å; D42-K89 PolarHBondContact OD1-NZ 2.98Å; D42-K89 IonicContact OD2-NZ 2.79Å; D42-K89 PolarHBondContact OD2-NZ 2.98Å |
| 43 | A | 98.3 | Very high | 97.8 | Very high | 48 Ų | 48 | 74.8 Ų | 74.8 | 40% | 0.397 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.7 | -49 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K39 E40 I41 Y45 Q46 D47 | K39-A43 PolarHBondContact O-N 2.89Å; E40-A43 PolarHBondContact O-N 3.09Å; I41-A43 PolarHBondContact O-N 3.44Å; A43-Y45 VanDerWaalsContact C-N 3.26Å; A43-Y45 PolarHBondContact O-N 3.45Å; A43-Q46 PolarHBondContact O-N 3.1Å; A43-Q46 VanDerWaalsContact O-N 3.15Å; A43-D47 PolarHBondContact O-N 3.38Å |
| 44 | T | 97.9 | Very high | 97.8 | Very high | 53 Ų | 53 | 71 Ų | 71 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.3 | -35.7 | 177.7 | -53 | 0 | 0 | 0 | 0 | 112.4 | E40 I41 G48 L85 | E40-T44 PolarHBondContact O-N 3.07Å; E40-T44 VanDerWaalsContact O-N 3.1Å; E40-T44 PolarHBondContact O-OG1 3.14Å; I41-T44 PolarHBondContact O-N 3.1Å; T44-G48 PolarHBondContact O-N 3.19Å; T44-L85 HydrophobicContact CG2-CD1 4.06Å; T44-L85 HydrophobicContact CG2-CD2 4.08Å |
| 45 | Y | 98.1 | Very high | 97.8 | Very high | 68 Ų | 68 | 70.5 Ų | 70.5 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.8 | -41 | 176 | 178.7 | -101.8 | 0 | 0 | 0 | 112 | I41 D42 A43 G48 L49 S82 L85 | I41-Y45 WeakPolarHBondContact O-CB 3.28Å; I41-Y45 PolarHBondContact O-N 3.11Å; D42-Y45 PolarHBondContact O-N 2.71Å; A43-Y45 VanDerWaalsContact C-N 3.26Å; A43-Y45 PolarHBondContact O-N 3.45Å; Y45-G48 PolarHBondContact O-N 3.24Å; Y45-L49 HydrophobicContact CD1-CD1 4.07Å; Y45-L49 HydrophobicContact CD1-CG 4.42Å; Y45-L49 HydrophobicContact CE1-CD1 3.47Å; Y45-L49 VanDerWaalsContact CE1-CD1 3.47Å; Y45-L49 HydrophobicContact CE1-CG 4.05Å; Y45-L49 HydrophobicContact CE2-CG 4.49Å; Y45-L49 WeakPolarHBondContact O-CG 3.27Å; Y45-L49 PolarHBondContact O-N 3.48Å; Y45-S82 VanDerWaalsContact CE2-O 3.28Å; Y45-S82 WeakPolarHBondContact CE2-O 3.21Å; Y45-L85 HydrophobicContact CD2-CB 3.98Å |
| 46 | Q | 97.9 | Very high | 97.8 | Very high | 122 Ų | 122 | 74 Ų | 74 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.2 | -45 | 174.6 | -74.6 | 174.3 | 16.5 | 0 | 0 | 111.7 | D42 A43 G48 L49 Q50 | D42-Q46 WeakPolarHBondContact O-CB 3.34Å; D42-Q46 VanDerWaalsContact O-CG 3.3Å; D42-Q46 WeakPolarHBondContact O-CG 3.43Å; D42-Q46 PolarHBondContact O-N 3.04Å; A43-Q46 PolarHBondContact O-N 3.1Å; A43-Q46 VanDerWaalsContact O-N 3.15Å; Q46-G48 VanDerWaalsContact C-N 3.3Å; Q46-G48 PolarHBondContact O-N 2.88Å; Q46-L49 PolarHBondContact O-N 3.09Å; Q46-Q50 PolarHBondContact O-N 2.8Å |
| 47 | D | 97.2 | Very high | 97.8 | Very high | 112 Ų | 112 | 74.9 Ų | 74.9 | 60% | 0.599 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.6 | -41.6 | 174 | -70.3 | -14.5 | 0 | 0 | 0 | 111.4 | A43 Q50 E51 | A43-D47 PolarHBondContact O-N 3.38Å; D47-Q50 PolarHBondContact O-N 3.1Å; D47-E51 PolarHBondContact O-N 3.32Å |
| 48 | G | 95.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 77.5 Ų | 77.5 | 6% | 0.062 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T44 Y45 Q46 L52 | T44-G48 PolarHBondContact O-N 3.19Å; Y45-G48 PolarHBondContact O-N 3.24Å; Q46-G48 VanDerWaalsContact C-N 3.3Å; Q46-G48 PolarHBondContact O-N 2.88Å; G48-L52 WeakPolarHBondContact O-CB 3.47Å; G48-L52 PolarHBondContact O-N 2.79Å |
| 49 | L | 97.1 | Very high | 97.8 | Very high | 61 Ų | 61 | 78.2 Ų | 78.2 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 172.5 | -72.4 | -176.6 | 0 | 0 | 0 | 111.8 | Y45 Q46 L52 D53 | Y45-L49 HydrophobicContact CD1-CD1 4.07Å; Y45-L49 HydrophobicContact CD1-CG 4.42Å; Y45-L49 HydrophobicContact CE1-CD1 3.47Å; Y45-L49 VanDerWaalsContact CE1-CD1 3.47Å; Y45-L49 HydrophobicContact CE1-CG 4.05Å; Y45-L49 HydrophobicContact CE2-CG 4.49Å; Y45-L49 WeakPolarHBondContact O-CG 3.27Å; Y45-L49 PolarHBondContact O-N 3.48Å; Q46-L49 PolarHBondContact O-N 3.09Å; L49-L52 HydrophobicContact CD2-CD2 4.32Å; L49-L52 WeakPolarHBondContact O-CB 3.3Å; L49-L52 PolarHBondContact O-N 2.74Å; L49-D53 PolarHBondContact O-N 2.93Å |
| 50 | Q | 97.4 | Very high | 97.8 | Very high | 124 Ų | 124 | 73.7 Ų | 73.7 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 175.1 | -174.2 | 175.5 | -15.5 | 0 | 0 | 111.6 | Q46 D47 L52 D53 D54 | Q46-Q50 PolarHBondContact O-N 2.8Å; D47-Q50 PolarHBondContact O-N 3.1Å; Q50-L52 VanDerWaalsContact C-N 3.31Å; Q50-L52 PolarHBondContact O-N 3.05Å; Q50-D53 PolarHBondContact O-N 3.42Å; Q50-D54 PolarHBondContact O-N 2.97Å |
| 51 | E | 96.3 | Very high | 97.8 | Very high | 99 Ų | 99 | 76.4 Ų | 76.4 | 46% | 0.463 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 173.1 | -173.7 | -176.8 | -176.3 | 0 | 0 | 111.2 | D47 D54 V55 R81 | D47-E51 PolarHBondContact O-N 3.32Å; E51-D54 PolarHBondContact O-N 3.5Å; E51-V55 HydrophobicContact CG-CG2 4.48Å; E51-V55 VanDerWaalsContact O-CG2 3.25Å; E51-V55 WeakPolarHBondContact O-CG2 3.4Å; E51-V55 PolarHBondContact O-N 3.39Å; E51-R81 IonicContact OE2-NH1 3.75Å |
| 52 | L | 97.9 | Very high | 97.8 | Very high | 21 Ų | 21 | 78.2 Ų | 78.2 | 11% | 0.11 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 177.1 | 173.6 | 63.5 | 0 | 0 | 0 | 112 | G48 L49 Q50 V55 Y56 I75 A78 L79 | G48-L52 WeakPolarHBondContact O-CB 3.47Å; G48-L52 PolarHBondContact O-N 2.79Å; L49-L52 HydrophobicContact CD2-CD2 4.32Å; L49-L52 WeakPolarHBondContact O-CB 3.3Å; L49-L52 PolarHBondContact O-N 2.74Å; Q50-L52 VanDerWaalsContact C-N 3.31Å; Q50-L52 PolarHBondContact O-N 3.05Å; L52-V55 PolarHBondContact O-N 2.89Å; L52-Y56 WeakPolarHBondContact O-CB 3.42Å; L52-Y56 PolarHBondContact O-N 3.1Å; L52-I75 HydrophobicContact CD1-CB 4.49Å; L52-I75 HydrophobicContact CD1-CG2 3.98Å; L52-A78 HydrophobicContact CB-CB 4.22Å; L52-A78 HydrophobicContact CD1-CB 3.95Å; L52-L79 HydrophobicContact CD1-CD2 4.25Å; L52-L79 HydrophobicContact CD1-CG 4.04Å; L52-L79 HydrophobicContact CD2-CD2 3.67Å; L52-L79 HydrophobicContact CD2-CG 4.3Å |
| 53 | D | 98.3 | Very high | 97.8 | Very high | 105 Ų | 105 | 81.2 Ų | 81.2 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 176.9 | -79.1 | -17.2 | 0 | 0 | 0 | 111.5 | L49 Q50 V55 Y56 E57 | L49-D53 PolarHBondContact O-N 2.93Å; Q50-D53 PolarHBondContact O-N 3.42Å; D53-V55 VanDerWaalsContact C-N 3.34Å; D53-V55 PolarHBondContact O-N 3.05Å; D53-Y56 PolarHBondContact O-N 3.34Å; D53-Y56 VanDerWaalsContact O-N 3.15Å; D53-E57 PolarHBondContact O-N 2.96Å |
| 54 | D | 97.9 | Very high | 97.8 | Very high | 89 Ų | 89 | 82.4 Ų | 82.4 | 48% | 0.476 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.9 | -35.1 | 175.9 | -83.3 | -19.3 | 0 | 0 | 0 | 112.9 | Q50 E51 R58 | Q50-D54 PolarHBondContact O-N 2.97Å; E51-D54 PolarHBondContact O-N 3.5Å; D54-R58 WeakPolarHBondContact O-CG 3.38Å; D54-R58 PolarHBondContact O-N 3.36Å; D54-R58 PolarHBondContact O-NE 3.48Å |
| 55 | V | 97.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 84.6 Ų | 84.6 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -72.3 | -39 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | E51 L52 D53 R58 Y59 L71 A74 I75 | E51-V55 HydrophobicContact CG-CG2 4.48Å; E51-V55 VanDerWaalsContact O-CG2 3.25Å; E51-V55 WeakPolarHBondContact O-CG2 3.4Å; E51-V55 PolarHBondContact O-N 3.39Å; L52-V55 PolarHBondContact O-N 2.89Å; D53-V55 VanDerWaalsContact C-N 3.34Å; D53-V55 PolarHBondContact O-N 3.05Å; V55-R58 PolarHBondContact O-N 3.42Å; V55-Y59 WeakPolarHBondContact O-CB 3.5Å; V55-Y59 PolarHBondContact O-N 3.05Å; V55-L71 HydrophobicContact CG1-CD2 4.13Å; V55-A74 HydrophobicContact CG1-CB 3.84Å; V55-I75 HydrophobicContact CB-CG1 4.31Å; V55-I75 HydrophobicContact CG1-CD1 4.42Å; V55-I75 HydrophobicContact CG1-CG1 3.61Å |
| 56 | Y | 98.3 | Very high | 97.7 | Very high | 127 Ų | 127 | 87.4 Ų | 87.4 | 50% | 0.498 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 178.9 | -178.6 | -92.8 | 0 | 0 | 0 | 112.4 | L52 D53 R58 Y59 S60 I75 | L52-Y56 WeakPolarHBondContact O-CB 3.42Å; L52-Y56 PolarHBondContact O-N 3.1Å; D53-Y56 PolarHBondContact O-N 3.34Å; D53-Y56 VanDerWaalsContact O-N 3.15Å; Y56-R58 VanDerWaalsContact C-N 3.33Å; Y56-R58 PolarHBondContact O-N 3.46Å; Y56-Y59 CarbonylContact O-C 3.39Å; Y56-Y59 WeakPolarHBondContact O-CB 3.47Å; Y56-Y59 PolarHBondContact O-N 3.29Å; Y56-Y59 VanDerWaalsContact O-N 3.16Å; Y56-S60 PolarHBondContact O-N 2.68Å; Y56-I75 HydrophobicContact CD2-CD1 4.25Å |
| 57 | E | 98.4 | Very high | 97.7 | Very high | 79 Ų | 79 | 84.8 Ų | 84.8 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 175.2 | -89.3 | -63.5 | 123.5 | 0 | 0 | 112.4 | D53 S60 R61 | D53-E57 PolarHBondContact O-N 2.96Å; E57-S60 PolarHBondContact O-OG 3.45Å; E57-R61 WeakPolarHBondContact O-CD 3.5Å; E57-R61 WeakPolarHBondContact O-CG 3.43Å; E57-R61 PolarHBondContact O-N 3.12Å; E57-R61 IonicContact OE2-CZ 3.18Å; E57-R61 IonicContact OE2-NE 2.85Å; E57-R61 PolarHBondContact OE2-NE 2.89Å; E57-R61 IonicContact OE2-NH2 2.67Å; E57-R61 PolarHBondContact OE2-NH2 2.88Å |
| 58 | R | 98.2 | Very high | 97.8 | Very high | 136 Ų | 136 | 83.4 Ų | 83.4 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 171.1 | -75.5 | 178.2 | -72.9 | 170.3 | -6.1 | 111.4 | D54 V55 Y56 S60 R61 E62 L71 | D54-R58 WeakPolarHBondContact O-CG 3.38Å; D54-R58 PolarHBondContact O-N 3.36Å; D54-R58 PolarHBondContact O-NE 3.48Å; V55-R58 PolarHBondContact O-N 3.42Å; Y56-R58 VanDerWaalsContact C-N 3.33Å; Y56-R58 PolarHBondContact O-N 3.46Å; R58-S60 VanDerWaalsContact C-N 3.34Å; R58-S60 PolarHBondContact O-N 2.87Å; R58-R61 PolarHBondContact O-N 2.96Å; R58-E62 WeakPolarHBondContact O-CB 3.37Å; R58-E62 PolarHBondContact O-N 3.43Å; R58-L71 HydrophobicContact CB-CD1 4.21Å; R58-L71 HydrophobicContact CB-CD2 4.31Å |
| 59 | Y | 98.4 | Very high | 97.9 | Very high | 50 Ų | 50 | 88.2 Ų | 88.2 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 177.4 | 170.7 | -96.2 | 0 | 0 | 0 | 112.9 | V55 Y56 R61 E62 R68 L71 Q72 I75 | V55-Y59 WeakPolarHBondContact O-CB 3.5Å; V55-Y59 PolarHBondContact O-N 3.05Å; Y56-Y59 CarbonylContact O-C 3.39Å; Y56-Y59 WeakPolarHBondContact O-CB 3.47Å; Y56-Y59 PolarHBondContact O-N 3.29Å; Y56-Y59 VanDerWaalsContact O-N 3.16Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 2.86Å; Y59-E62 PolarHBondContact O-N 3.43Å; Y59-R68 HydrophobicContact CD2-CG 3.73Å; Y59-R68 WeakPolarHBondContact CD2-O 3.03Å; Y59-R68 HydrophobicContact CE2-CG 3.37Å; Y59-R68 PolarHBondContact O-NH1 3.07Å; Y59-L71 HydrophobicContact CD2-CB 4.08Å; Y59-Q72 HydrophobicContact CD2-CB 4.34Å; Y59-Q72 HydrophobicContact CE2-CB 3.93Å; Y59-I75 HydrophobicContact CD1-CD1 3.98Å; Y59-I75 HydrophobicContact CD2-CD1 4.26Å; Y59-I75 HydrophobicContact CG-CD1 3.7Å |
| 60 | S | 98 | Very high | 97.9 | Very high | 51 Ų | 51 | 93.2 Ų | 93.2 | 36% | 0.357 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | -179.2 | 78.6 | 0 | 0 | 0 | 0 | 111.3 | Y56 E57 R58 | Y56-S60 PolarHBondContact O-N 2.68Å; E57-S60 PolarHBondContact O-OG 3.45Å; R58-S60 VanDerWaalsContact C-N 3.34Å; R58-S60 PolarHBondContact O-N 2.87Å |
| 61 | R | 97.6 | Very high | 98 | Very high | 185 Ų | 185 | 88.1 Ų | 88.1 | 70% | 0.698 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -84.4 | -18.6 | -179.3 | -61.9 | 164.4 | -167.5 | -96.2 | -1.6 | 113.8 | E57 R58 Y59 S63 | E57-R61 WeakPolarHBondContact O-CD 3.5Å; E57-R61 WeakPolarHBondContact O-CG 3.43Å; E57-R61 PolarHBondContact O-N 3.12Å; E57-R61 IonicContact OE2-CZ 3.18Å; E57-R61 IonicContact OE2-NE 2.85Å; E57-R61 PolarHBondContact OE2-NE 2.89Å; E57-R61 IonicContact OE2-NH2 2.67Å; E57-R61 PolarHBondContact OE2-NH2 2.88Å; R58-R61 PolarHBondContact O-N 2.96Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 2.86Å; R61-S63 PolarHBondContact O-N 3.22Å |
| 62 | E | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 87.3 Ų | 87.3 | 25% | 0.252 | 42% | 0.417 | S | S | . | . | trans | -68.2 | 127.5 | -177.1 | -173.6 | 55.4 | -92.8 | 0 | 0 | 112.5 | R58 Y59 D64 Q67 R68 L71 | R58-E62 WeakPolarHBondContact O-CB 3.37Å; R58-E62 PolarHBondContact O-N 3.43Å; Y59-E62 PolarHBondContact O-N 3.43Å; E62-D64 PolarHBondContact OE1-N 2.97Å; E62-Q67 HydrophobicContact CG-CB 4Å; E62-Q67 HydrophobicContact CG-CG 4.11Å; E62-Q67 WeakPolarHBondContact OE2-CG 3.49Å; E62-R68 HydrophobicContact CB-CB 4.37Å; E62-R68 HydrophobicContact CG-CB 3.94Å; E62-R68 PolarHBondContact O-NH1 2.85Å; E62-L71 HydrophobicContact CB-CD1 3.87Å; E62-L71 HydrophobicContact CG-CD1 4.04Å | ||
| 63 | S | 97.8 | Very high | 98.1 | Very high | 109 Ų | 109 | 89.4 Ų | 89.4 | 76% | 0.762 | 43% | 0.428 | S | S | * | . | trans | -103.5 | -28 | -176.7 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | R61 P65 | R61-S63 PolarHBondContact O-N 3.22Å; S63-P65 WeakPolarHBondContact O-CD 3.35Å | ||
| 64 | D | 98.3 | Very high | 98.1 | Very high | 72 Ų | 72 | 86 Ų | 86 | 39% | 0.385 | 42% | 0.415 | S | S | . | . | trans | -74.6 | 123.9 | 177.3 | 173.7 | 59 | 0 | 0 | 0 | 111.2 | E62 L66 Q67 R68 | E62-D64 PolarHBondContact OE1-N 2.97Å; D64-L66 VanDerWaalsContact C-N 3.3Å; D64-L66 PolarHBondContact O-N 3.36Å; D64-L66 WeakPolarHBondContact OD2-CB 3.39Å; D64-L66 PolarHBondContact OD2-N 3.03Å; D64-Q67 HydrophobicContact CB-CB 4.1Å; D64-Q67 PolarHBondContact O-N 2.98Å; D64-Q67 WeakPolarHBondContact OD2-CB 3.38Å; D64-Q67 PolarHBondContact OD2-N 3.31Å; D64-R68 WeakPolarHBondContact O-CB 3.2Å; D64-R68 PolarHBondContact O-N 3.26Å | ||
| 65 | P | 97.5 | Very high | 98.1 | Very high | 99 Ų | 99 | 82.9 Ų | 82.9 | 64% | 0.643 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.1 | -33.8 | -177.8 | -26.2 | 35.5 | 0 | 0 | 0 | 114.6 | S63 H69 | S63-P65 WeakPolarHBondContact O-CD 3.35Å; P65-H69 WeakPolarHBondContact O-CB 3.35Å; P65-H69 PolarHBondContact O-N 3Å |
| 66 | L | 97.8 | Very high | 98.1 | Very high | 128 Ų | 128 | 87.1 Ų | 87.1 | 67% | 0.67 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -74.9 | -44.3 | -177.7 | -62.8 | 173.3 | 0 | 0 | 0 | 111 | D64 H69 R70 | D64-L66 VanDerWaalsContact C-N 3.3Å; D64-L66 PolarHBondContact O-N 3.36Å; D64-L66 WeakPolarHBondContact OD2-CB 3.39Å; D64-L66 PolarHBondContact OD2-N 3.03Å; L66-H69 PolarHBondContact O-N 3.41Å; L66-R70 WeakPolarHBondContact O-CG 3.37Å; L66-R70 PolarHBondContact O-N 2.94Å |
| 67 | Q | 97.8 | Very high | 98.1 | Very high | 67 Ų | 67 | 89.6 Ų | 89.6 | 31% | 0.313 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 175.9 | -167.8 | 62.9 | 8.1 | 0 | 0 | 111.4 | E62 D64 H69 R70 L71 | E62-Q67 HydrophobicContact CG-CB 4Å; E62-Q67 HydrophobicContact CG-CG 4.11Å; E62-Q67 WeakPolarHBondContact OE2-CG 3.49Å; D64-Q67 HydrophobicContact CB-CB 4.1Å; D64-Q67 PolarHBondContact O-N 2.98Å; D64-Q67 WeakPolarHBondContact OD2-CB 3.38Å; D64-Q67 PolarHBondContact OD2-N 3.31Å; Q67-H69 PolarHBondContact O-N 3.38Å; Q67-R70 WeakPolarHBondContact O-CB 3.34Å; Q67-R70 PolarHBondContact O-N 3.2Å; Q67-R70 VanDerWaalsContact OE1-CD 3.28Å; Q67-R70 VanDerWaalsContact OE1-NH1 3.16Å; Q67-L71 WeakPolarHBondContact O-CG 3.48Å; Q67-L71 PolarHBondContact O-N 3.31Å |
| 68 | R | 98 | Very high | 98 | Very high | 82 Ų | 82 | 86.5 Ų | 86.5 | 31% | 0.309 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 172.1 | -170.6 | 173.3 | -174.7 | 98.9 | 9.7 | 112 | Y59 E62 D64 L71 Q72 | Y59-R68 HydrophobicContact CD2-CG 3.73Å; Y59-R68 WeakPolarHBondContact CD2-O 3.03Å; Y59-R68 HydrophobicContact CE2-CG 3.37Å; Y59-R68 PolarHBondContact O-NH1 3.07Å; E62-R68 HydrophobicContact CB-CB 4.37Å; E62-R68 HydrophobicContact CG-CB 3.94Å; E62-R68 PolarHBondContact O-NH1 2.85Å; D64-R68 WeakPolarHBondContact O-CB 3.2Å; D64-R68 PolarHBondContact O-N 3.26Å; R68-L71 PolarHBondContact O-N 3Å; R68-Q72 WeakPolarHBondContact O-CB 3.08Å; R68-Q72 PolarHBondContact O-N 3.29Å |
| 69 | H | 98.2 | Very high | 98 | Very high | 107 Ų | 107 | 84.3 Ų | 84.3 | 50% | 0.495 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 173.6 | -176.4 | -79.6 | 0 | 0 | 0 | 112.5 | P65 L66 Q67 Q72 L73 | P65-H69 WeakPolarHBondContact O-CB 3.35Å; P65-H69 PolarHBondContact O-N 3Å; L66-H69 PolarHBondContact O-N 3.41Å; Q67-H69 PolarHBondContact O-N 3.38Å; H69-Q72 WeakPolarHBondContact O-CB 3.46Å; H69-Q72 PolarHBondContact O-N 2.81Å; H69-L73 WeakPolarHBondContact O-CG 3.36Å; H69-L73 PolarHBondContact O-N 2.94Å; H69-L73 VanDerWaalsContact O-N 3.1Å |
| 70 | R | 98.3 | Very high | 98 | Very high | 167 Ų | 167 | 86.3 Ų | 86.3 | 63% | 0.63 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 174.4 | -73 | 167.7 | 170.8 | 177 | -2.6 | 112.3 | L66 Q67 Q72 L73 A74 | L66-R70 WeakPolarHBondContact O-CG 3.37Å; L66-R70 PolarHBondContact O-N 2.94Å; Q67-R70 WeakPolarHBondContact O-CB 3.34Å; Q67-R70 PolarHBondContact O-N 3.2Å; Q67-R70 VanDerWaalsContact OE1-CD 3.28Å; Q67-R70 VanDerWaalsContact OE1-NH1 3.16Å; R70-Q72 VanDerWaalsContact C-N 3.35Å; R70-L73 PolarHBondContact O-N 3.42Å; R70-A74 PolarHBondContact O-N 3.2Å; R70-A74 VanDerWaalsContact O-N 3.07Å |
| 71 | L | 98.3 | Very high | 97.9 | Very high | 16 Ų | 16 | 89.7 Ų | 89.7 | 8% | 0.084 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 176.1 | -69.1 | 167.3 | 0 | 0 | 0 | 111.5 | V55 R58 Y59 E62 Q67 R68 L73 A74 I75 | V55-L71 HydrophobicContact CG1-CD2 4.13Å; R58-L71 HydrophobicContact CB-CD1 4.21Å; R58-L71 HydrophobicContact CB-CD2 4.31Å; Y59-L71 HydrophobicContact CD2-CB 4.08Å; E62-L71 HydrophobicContact CB-CD1 3.87Å; E62-L71 HydrophobicContact CG-CD1 4.04Å; Q67-L71 WeakPolarHBondContact O-CG 3.48Å; Q67-L71 PolarHBondContact O-N 3.31Å; R68-L71 PolarHBondContact O-N 3Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 3.38Å; L71-A74 WeakPolarHBondContact O-CB 3.42Å; L71-A74 PolarHBondContact O-N 3.48Å; L71-A74 VanDerWaalsContact O-N 3.09Å; L71-I75 WeakPolarHBondContact O-CG1 3.36Å; L71-I75 PolarHBondContact O-N 2.99Å |
| 72 | Q | 98.1 | Very high | 97.9 | Very high | 82 Ų | 82 | 81.4 Ų | 81.4 | 38% | 0.383 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.5 | -41 | 172.9 | -173.1 | 179.3 | -7.5 | 0 | 0 | 112.5 | Y59 R68 H69 R70 A74 I75 Q76 | Y59-Q72 HydrophobicContact CD2-CB 4.34Å; Y59-Q72 HydrophobicContact CE2-CB 3.93Å; R68-Q72 WeakPolarHBondContact O-CB 3.08Å; R68-Q72 PolarHBondContact O-N 3.29Å; H69-Q72 WeakPolarHBondContact O-CB 3.46Å; H69-Q72 PolarHBondContact O-N 2.81Å; R70-Q72 VanDerWaalsContact C-N 3.35Å; Q72-A74 VanDerWaalsContact C-N 3.34Å; Q72-I75 PolarHBondContact O-N 3.11Å; Q72-Q76 WeakPolarHBondContact O-CG 3.42Å; Q72-Q76 PolarHBondContact O-N 2.93Å |
| 73 | L | 98.1 | Very high | 97.9 | Very high | 65 Ų | 65 | 84.8 Ų | 84.8 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67 | -33.9 | 173.6 | -67.9 | 174.6 | 0 | 0 | 0 | 112.5 | H69 R70 L71 Q76 R77 | H69-L73 WeakPolarHBondContact O-CG 3.36Å; H69-L73 PolarHBondContact O-N 2.94Å; H69-L73 VanDerWaalsContact O-N 3.1Å; R70-L73 PolarHBondContact O-N 3.42Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 3.38Å; L73-Q76 PolarHBondContact O-N 2.85Å; L73-R77 WeakPolarHBondContact O-CG 3.41Å; L73-R77 PolarHBondContact O-N 3.01Å; L73-R77 VanDerWaalsContact O-N 3.14Å |
| 74 | A | 98.1 | Very high | 97.9 | Very high | 35 Ų | 35 | 84.8 Ų | 84.8 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V55 R70 L71 Q72 Q76 R77 A78 | V55-A74 HydrophobicContact CG1-CB 3.84Å; R70-A74 PolarHBondContact O-N 3.2Å; R70-A74 VanDerWaalsContact O-N 3.07Å; L71-A74 WeakPolarHBondContact O-CB 3.42Å; L71-A74 PolarHBondContact O-N 3.48Å; L71-A74 VanDerWaalsContact O-N 3.09Å; Q72-A74 VanDerWaalsContact C-N 3.34Å; A74-Q76 VanDerWaalsContact C-N 3.32Å; A74-Q76 PolarHBondContact O-N 3.27Å; A74-R77 PolarHBondContact O-N 3.08Å; A74-R77 VanDerWaalsContact O-N 3.17Å; A74-A78 PolarHBondContact O-N 2.9Å |
| 75 | I | 98.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 82.2 Ų | 82.2 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.9 | -46.6 | 172.6 | -68.2 | 168.8 | 0 | 0 | 0 | 110.7 | L52 V55 Y56 Y59 L71 Q72 R77 A78 L79 | L52-I75 HydrophobicContact CD1-CB 4.49Å; L52-I75 HydrophobicContact CD1-CG2 3.98Å; V55-I75 HydrophobicContact CB-CG1 4.31Å; V55-I75 HydrophobicContact CG1-CD1 4.42Å; V55-I75 HydrophobicContact CG1-CG1 3.61Å; Y56-I75 HydrophobicContact CD2-CD1 4.25Å; Y59-I75 HydrophobicContact CD1-CD1 3.98Å; Y59-I75 HydrophobicContact CD2-CD1 4.26Å; Y59-I75 HydrophobicContact CG-CD1 3.7Å; L71-I75 WeakPolarHBondContact O-CG1 3.36Å; L71-I75 PolarHBondContact O-N 2.99Å; Q72-I75 PolarHBondContact O-N 3.11Å; I75-R77 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.34Å; I75-A78 PolarHBondContact O-N 3.49Å; I75-L79 HydrophobicContact CG2-CD1 3.78Å; I75-L79 HydrophobicContact CG2-CG 4.3Å; I75-L79 WeakPolarHBondContact O-CB 3.4Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 3.38Å |
| 76 | Q | 98.3 | Very high | 97.9 | Very high | 96 Ų | 96 | 78.3 Ų | 78.3 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 178 | -75.4 | 176.6 | -11.7 | 0 | 0 | 112.6 | Q72 L73 A74 I80 | Q72-Q76 WeakPolarHBondContact O-CG 3.42Å; Q72-Q76 PolarHBondContact O-N 2.93Å; L73-Q76 PolarHBondContact O-N 2.85Å; A74-Q76 VanDerWaalsContact C-N 3.32Å; A74-Q76 PolarHBondContact O-N 3.27Å; Q76-I80 WeakPolarHBondContact O-CD1 3.33Å; Q76-I80 VanDerWaalsContact O-CG1 3.27Å; Q76-I80 WeakPolarHBondContact O-CG1 3.24Å; Q76-I80 PolarHBondContact O-N 3.39Å; Q76-I80 VanDerWaalsContact O-N 3.1Å |
| 77 | R | 97.6 | Very high | 97.9 | Very high | 180 Ų | 180 | 76.2 Ų | 76.2 | 68% | 0.679 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.2 | -43.2 | 176.8 | -68.8 | 169.1 | -173.9 | 172.2 | 0.5 | 112.3 | L73 A74 I75 L79 I80 R81 | L73-R77 WeakPolarHBondContact O-CG 3.41Å; L73-R77 PolarHBondContact O-N 3.01Å; L73-R77 VanDerWaalsContact O-N 3.14Å; A74-R77 PolarHBondContact O-N 3.08Å; A74-R77 VanDerWaalsContact O-N 3.17Å; I75-R77 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.34Å; R77-L79 VanDerWaalsContact C-N 3.34Å; R77-L79 PolarHBondContact O-N 3.45Å; R77-I80 PolarHBondContact O-N 3.28Å; R77-R81 WeakPolarHBondContact O-CB 3.22Å; R77-R81 PolarHBondContact O-N 3.29Å |
| 78 | A | 97.1 | Very high | 98 | Very high | 13 Ų | 13 | 77.6 Ų | 77.6 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L52 A74 I75 S82 | L52-A78 HydrophobicContact CB-CB 4.22Å; L52-A78 HydrophobicContact CD1-CB 3.95Å; A74-A78 PolarHBondContact O-N 2.9Å; I75-A78 PolarHBondContact O-N 3.49Å; A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.27Å; A78-S82 PolarHBondContact O-N 3.28Å; A78-S82 PolarHBondContact O-OG 2.64Å |
| 79 | L | 98.1 | Very high | 98 | Very high | 91 Ų | 91 | 75.9 Ų | 75.9 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 173.3 | -74.9 | 169.4 | 0 | 0 | 0 | 112.6 | L52 I75 R77 S82 Q83 | L52-L79 HydrophobicContact CD1-CD2 4.25Å; L52-L79 HydrophobicContact CD1-CG 4.04Å; L52-L79 HydrophobicContact CD2-CD2 3.67Å; L52-L79 HydrophobicContact CD2-CG 4.3Å; I75-L79 HydrophobicContact CG2-CD1 3.78Å; I75-L79 HydrophobicContact CG2-CG 4.3Å; I75-L79 WeakPolarHBondContact O-CB 3.4Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 3.38Å; R77-L79 VanDerWaalsContact C-N 3.34Å; R77-L79 PolarHBondContact O-N 3.45Å; L79-S82 PolarHBondContact O-N 3.23Å; L79-Q83 PolarHBondContact O-N 3.39Å |
| 80 | I | 97.8 | Very high | 98 | Very high | 92 Ų | 92 | 76.3 Ų | 76.3 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -50.1 | 176.6 | -68.9 | 162.8 | 0 | 0 | 0 | 110.2 | Q76 R77 S82 Q83 E84 | Q76-I80 WeakPolarHBondContact O-CD1 3.33Å; Q76-I80 VanDerWaalsContact O-CG1 3.27Å; Q76-I80 WeakPolarHBondContact O-CG1 3.24Å; Q76-I80 PolarHBondContact O-N 3.39Å; Q76-I80 VanDerWaalsContact O-N 3.1Å; R77-I80 PolarHBondContact O-N 3.28Å; I80-S82 VanDerWaalsContact C-N 3.29Å; I80-S82 PolarHBondContact O-N 2.84Å; I80-Q83 WeakPolarHBondContact O-CA 3.46Å; I80-Q83 WeakPolarHBondContact O-CB 3.36Å; I80-Q83 PolarHBondContact O-N 2.97Å; I80-E84 HydrophobicContact CG2-CG 4.49Å; I80-E84 WeakPolarHBondContact O-CG 3.37Å; I80-E84 PolarHBondContact O-N 3.05Å |
| 81 | R | 96.9 | Very high | 98 | Very high | 122 Ų | 122 | 74.2 Ų | 74.2 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 177.4 | -174.2 | -178.3 | 179.7 | -157.3 | -2.2 | 112.6 | E51 R77 Q83 E84 L85 | E51-R81 IonicContact OE2-NH1 3.75Å; R77-R81 WeakPolarHBondContact O-CB 3.22Å; R77-R81 PolarHBondContact O-N 3.29Å; R81-Q83 VanDerWaalsContact C-N 3.33Å; R81-E84 PolarHBondContact O-N 2.92Å; R81-L85 HydrophobicContact CG-CD1 4.4Å; R81-L85 WeakPolarHBondContact O-CG 3.46Å; R81-L85 PolarHBondContact O-N 2.93Å; R81-L85 VanDerWaalsContact O-N 3.1Å |
| 82 | S | 97.8 | Very high | 98 | Very high | 10 Ų | 10 | 73.8 Ų | 73.8 | 7% | 0.07 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | Y45 A78 L79 I80 G86 | Y45-S82 VanDerWaalsContact CE2-O 3.28Å; Y45-S82 WeakPolarHBondContact CE2-O 3.21Å; A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.27Å; A78-S82 PolarHBondContact O-N 3.28Å; A78-S82 PolarHBondContact O-OG 2.64Å; L79-S82 PolarHBondContact O-N 3.23Å; I80-S82 VanDerWaalsContact C-N 3.29Å; I80-S82 PolarHBondContact O-N 2.84Å; S82-G86 PolarHBondContact O-N 3.03Å |
| 83 | Q | 98.3 | Very high | 98 | Very high | 125 Ų | 125 | 71.9 Ų | 71.9 | 58% | 0.584 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.3 | -46.9 | 174.1 | -174.2 | -175.6 | -21.6 | 0 | 0 | 111.3 | L79 I80 R81 L85 G86 D87 | L79-Q83 PolarHBondContact O-N 3.39Å; I80-Q83 WeakPolarHBondContact O-CA 3.46Å; I80-Q83 WeakPolarHBondContact O-CB 3.36Å; I80-Q83 PolarHBondContact O-N 2.97Å; R81-Q83 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 2.85Å; Q83-G86 CarbonylContact O-C 3.51Å; Q83-G86 WeakPolarHBondContact O-CA 3.41Å; Q83-G86 PolarHBondContact O-N 3.15Å; Q83-D87 PolarHBondContact O-N 2.98Å |
| 84 | E | 97.8 | Very high | 98 | Very high | 109 Ų | 109 | 70.2 Ų | 70.2 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.3 | -48.4 | 178.8 | -69.6 | 166.2 | 162.1 | 0 | 0 | 111.4 | I80 R81 G86 D87 E88 | I80-E84 HydrophobicContact CG2-CG 4.49Å; I80-E84 WeakPolarHBondContact O-CG 3.37Å; I80-E84 PolarHBondContact O-N 3.05Å; R81-E84 PolarHBondContact O-N 2.92Å; E84-G86 VanDerWaalsContact C-N 3.29Å; E84-G86 PolarHBondContact O-N 2.89Å; E84-D87 PolarHBondContact O-N 3.32Å; E84-E88 PolarHBondContact O-N 3.5Å |
| 85 | L | 97.8 | Very high | 98 | Very high | 19 Ų | 19 | 72.6 Ų | 72.6 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.9 | -34.6 | 173.9 | -67.7 | 168.4 | 0 | 0 | 0 | 112.8 | I41 T44 Y45 R81 Q83 K89 | I41-L85 HydrophobicContact CG2-CB 4.3Å; I41-L85 HydrophobicContact CG2-CD2 4.01Å; T44-L85 HydrophobicContact CG2-CD1 4.06Å; T44-L85 HydrophobicContact CG2-CD2 4.08Å; Y45-L85 HydrophobicContact CD2-CB 3.98Å; R81-L85 HydrophobicContact CG-CD1 4.4Å; R81-L85 WeakPolarHBondContact O-CG 3.46Å; R81-L85 PolarHBondContact O-N 2.93Å; R81-L85 VanDerWaalsContact O-N 3.1Å; Q83-L85 PolarHBondContact O-N 2.85Å; L85-K89 WeakPolarHBondContact O-CG 3.35Å; L85-K89 PolarHBondContact O-N 2.87Å |
| 86 | G | 97.8 | Very high | 97.9 | Very high | 17 Ų | 17 | 73.6 Ų | 73.6 | 18% | 0.175 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | S82 Q83 E84 K89 I90 | S82-G86 PolarHBondContact O-N 3.03Å; Q83-G86 CarbonylContact O-C 3.51Å; Q83-G86 WeakPolarHBondContact O-CA 3.41Å; Q83-G86 PolarHBondContact O-N 3.15Å; E84-G86 VanDerWaalsContact C-N 3.29Å; E84-G86 PolarHBondContact O-N 2.89Å; G86-K89 WeakPolarHBondContact O-CB 3.5Å; G86-K89 PolarHBondContact O-N 3.07Å; G86-I90 WeakPolarHBondContact O-CG1 3.43Å; G86-I90 PolarHBondContact O-N 3.45Å |
| 87 | D | 98.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 72.7 Ų | 72.7 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 176.6 | -70 | -25.1 | 0 | 0 | 0 | 110.7 | Q83 E84 I90 Q91 | Q83-D87 PolarHBondContact O-N 2.98Å; E84-D87 PolarHBondContact O-N 3.32Å; D87-I90 PolarHBondContact O-N 2.83Å; D87-Q91 PolarHBondContact O-N 3.1Å |
| 88 | E | 98.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 70.4 Ų | 70.4 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 172.1 | -73.4 | 179.1 | -145.5 | 0 | 0 | 112.4 | I41 E84 I90 Q91 I92 | I41-E88 HydrophobicContact CD1-CB 3.93Å; E84-E88 PolarHBondContact O-N 3.5Å; E88-I90 PolarHBondContact O-N 3.34Å; E88-Q91 WeakPolarHBondContact O-CB 3.45Å; E88-Q91 PolarHBondContact O-N 2.95Å; E88-I92 WeakPolarHBondContact O-CG1 3.45Å; E88-I92 PolarHBondContact O-N 3.44Å |
| 89 | K | 97.9 | Very high | 97.9 | Very high | 45 Ų | 45 | 72.9 Ų | 72.9 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 172.7 | -75.7 | 175.6 | 50.7 | 154.7 | 0 | 112.2 | M38 I41 D42 L85 G86 Q91 I92 A93 | M38-K89 WeakPolarHBondContact CE-O 3.49Å; M38-K89 HydrophobicContact SD-CB 3.84Å; M38-K89 HydrophobicContact SD-CG 3.83Å; I41-K89 HydrophobicContact CB-CG 4.21Å; I41-K89 HydrophobicContact CG2-CD 4.24Å; I41-K89 HydrophobicContact CG2-CG 3.65Å; D42-K89 VanDerWaalsContact OD1-CD 3.23Å; D42-K89 WeakPolarHBondContact OD1-CD 3.1Å; D42-K89 WeakPolarHBondContact OD1-CE 3.24Å; D42-K89 IonicContact OD1-NZ 2.74Å; D42-K89 PolarHBondContact OD1-NZ 2.98Å; D42-K89 IonicContact OD2-NZ 2.79Å; D42-K89 PolarHBondContact OD2-NZ 2.98Å; L85-K89 WeakPolarHBondContact O-CG 3.35Å; L85-K89 PolarHBondContact O-N 2.87Å; G86-K89 WeakPolarHBondContact O-CB 3.5Å; G86-K89 PolarHBondContact O-N 3.07Å; K89-Q91 VanDerWaalsContact C-N 3.27Å; K89-Q91 PolarHBondContact O-N 3.16Å; K89-I92 PolarHBondContact O-N 3.25Å; K89-A93 WeakPolarHBondContact O-CB 3.17Å; K89-A93 PolarHBondContact O-N 3.39Å |
| 90 | I | 98.3 | Very high | 97.8 | Very high | 117 Ų | 117 | 71.8 Ų | 71.8 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.2 | -39.8 | 177 | -69.4 | 165.5 | 0 | 0 | 0 | 110.3 | G86 D87 E88 A93 G94 | G86-I90 WeakPolarHBondContact O-CG1 3.43Å; G86-I90 PolarHBondContact O-N 3.45Å; D87-I90 PolarHBondContact O-N 2.83Å; E88-I90 PolarHBondContact O-N 3.34Å; I90-A93 PolarHBondContact O-N 3.1Å; I90-G94 PolarHBondContact O-N 3.3Å |
| 91 | Q | 98.4 | Very high | 97.7 | Very high | 122 Ų | 122 | 73 Ų | 73 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 176.3 | -169.7 | -175.5 | -61.7 | 0 | 0 | 112.3 | D87 E88 K89 A93 G94 Q95 | D87-Q91 PolarHBondContact O-N 3.1Å; E88-Q91 WeakPolarHBondContact O-CB 3.45Å; E88-Q91 PolarHBondContact O-N 2.95Å; K89-Q91 VanDerWaalsContact C-N 3.27Å; K89-Q91 PolarHBondContact O-N 3.16Å; Q91-A93 VanDerWaalsContact C-N 3.35Å; Q91-A93 PolarHBondContact O-N 3.01Å; Q91-G94 PolarHBondContact O-N 2.97Å; Q91-Q95 WeakPolarHBondContact O-CG 3.4Å; Q91-Q95 PolarHBondContact O-N 3.09Å |
| 92 | I | 98.2 | Very high | 97.6 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 4% | 0.036 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 177.6 | -61.7 | 165.8 | 0 | 0 | 0 | 110.7 | S34 L37 M38 I41 E88 K89 G94 Q95 M96 | S34-I92 WeakPolarHBondContact O-CG2 3.49Å; L37-I92 HydrophobicContact CB-CD1 4.32Å; L37-I92 HydrophobicContact CD2-CD1 3.66Å; L37-I92 HydrophobicContact CD2-CG1 4.11Å; L37-I92 HydrophobicContact CG-CD1 3.65Å; M38-I92 HydrophobicContact CB-CG2 4.34Å; M38-I92 HydrophobicContact CE-CB 3.78Å; M38-I92 HydrophobicContact CE-CG2 3.77Å; M38-I92 HydrophobicContact SD-CB 4.49Å; I41-I92 HydrophobicContact CD1-CD1 3.53Å; I41-I92 HydrophobicContact CG1-CD1 4.38Å; E88-I92 WeakPolarHBondContact O-CG1 3.45Å; E88-I92 PolarHBondContact O-N 3.44Å; K89-I92 PolarHBondContact O-N 3.25Å; I92-G94 VanDerWaalsContact C-N 3.32Å; I92-G94 PolarHBondContact O-N 3.41Å; I92-Q95 PolarHBondContact O-N 2.63Å; I92-M96 HydrophobicContact CG2-SD 4.28Å; I92-M96 WeakPolarHBondContact O-CG 3.36Å; I92-M96 PolarHBondContact O-N 2.87Å |
| 93 | A | 98.4 | Very high | 97.4 | Very high | 43 Ų | 43 | 70.5 Ų | 70.5 | 36% | 0.355 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M38 K89 I90 Q91 M96 V97 | M38-A93 HydrophobicContact CE-CB 3.83Å; K89-A93 WeakPolarHBondContact O-CB 3.17Å; K89-A93 PolarHBondContact O-N 3.39Å; I90-A93 PolarHBondContact O-N 3.1Å; Q91-A93 VanDerWaalsContact C-N 3.35Å; Q91-A93 PolarHBondContact O-N 3.01Å; A93-M96 PolarHBondContact O-N 3.12Å; A93-V97 WeakPolarHBondContact O-CG2 3.36Å; A93-V97 PolarHBondContact O-N 3.05Å; A93-V97 VanDerWaalsContact O-N 3.08Å |
| 94 | G | 98.3 | Very high | 97.1 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I90 Q91 I92 M96 V97 E98 | I90-G94 PolarHBondContact O-N 3.3Å; Q91-G94 PolarHBondContact O-N 2.97Å; I92-G94 VanDerWaalsContact C-N 3.32Å; I92-G94 PolarHBondContact O-N 3.41Å; G94-M96 VanDerWaalsContact C-N 3.31Å; G94-M96 PolarHBondContact O-N 2.82Å; G94-V97 PolarHBondContact O-N 3.07Å; G94-V97 VanDerWaalsContact O-N 3.11Å; G94-E98 WeakPolarHBondContact O-CG 3.28Å; G94-E98 PolarHBondContact O-N 3.32Å |
| 95 | Q | 97.7 | Very high | 96.9 | Very high | 84 Ų | 84 | 70.1 Ų | 70.1 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.4 | -40 | 176.7 | -71.7 | 174.4 | -7.9 | 0 | 0 | 112.5 | Q91 I92 E98 L99 | Q91-Q95 WeakPolarHBondContact O-CG 3.4Å; Q91-Q95 PolarHBondContact O-N 3.09Å; I92-Q95 PolarHBondContact O-N 2.63Å; Q95-E98 PolarHBondContact O-N 3.38Å; Q95-L99 WeakPolarHBondContact O-CB 3.38Å; Q95-L99 VanDerWaalsContact O-CG 3.27Å; Q95-L99 WeakPolarHBondContact O-CG 3.45Å; Q95-L99 PolarHBondContact O-N 3.43Å |
| 96 | M | 97.9 | Very high | 96.6 | Very high | 44 Ų | 44 | 72.5 Ų | 72.5 | 22% | 0.217 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 175 | -73.3 | 175.5 | 57.8 | 0 | 0 | 112.6 | L31 V35 I92 A93 G94 V100 | L31-M96 HydrophobicContact CD2-CB 4.12Å; L31-M96 HydrophobicContact CD2-CE 4.2Å; L31-M96 HydrophobicContact CD2-CG 4.17Å; V35-M96 HydrophobicContact CG2-CE 3.46Å; V35-M96 VanDerWaalsContact CG2-CE 3.46Å; V35-M96 HydrophobicContact CG2-SD 4.07Å; I92-M96 HydrophobicContact CG2-SD 4.28Å; I92-M96 WeakPolarHBondContact O-CG 3.36Å; I92-M96 PolarHBondContact O-N 2.87Å; A93-M96 PolarHBondContact O-N 3.12Å; G94-M96 VanDerWaalsContact C-N 3.31Å; G94-M96 PolarHBondContact O-N 2.82Å; M96-V100 WeakPolarHBondContact O-CG2 3.13Å; M96-V100 PolarHBondContact O-N 2.98Å |
| 97 | V | 98.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 73.2 Ų | 73.2 | 47% | 0.467 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | A93 G94 L99 V100 E101 | A93-V97 WeakPolarHBondContact O-CG2 3.36Å; A93-V97 PolarHBondContact O-N 3.05Å; A93-V97 VanDerWaalsContact O-N 3.08Å; G94-V97 PolarHBondContact O-N 3.07Å; G94-V97 VanDerWaalsContact O-N 3.11Å; V97-L99 VanDerWaalsContact C-N 3.32Å; V97-L99 PolarHBondContact O-N 3.47Å; V97-V100 PolarHBondContact O-N 3.35Å; V97-V100 VanDerWaalsContact O-N 3.15Å; V97-E101 HydrophobicContact CG1-CG 4.06Å; V97-E101 WeakPolarHBondContact O-CB 3.15Å; V97-E101 WeakPolarHBondContact O-CG 3.42Å; V97-E101 PolarHBondContact O-N 3.23Å |
| 98 | E | 97.3 | Very high | 95.8 | Very high | 131 Ų | 131 | 73.4 Ų | 73.4 | 61% | 0.612 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.6 | -39.7 | 178.4 | -72.7 | 177.1 | -177.1 | 0 | 0 | 112.5 | G94 Q95 N102 | G94-E98 WeakPolarHBondContact O-CG 3.28Å; G94-E98 PolarHBondContact O-N 3.32Å; Q95-E98 PolarHBondContact O-N 3.38Å; E98-N102 WeakPolarHBondContact O-CB 3.29Å; E98-N102 PolarHBondContact O-N 3.28Å |
| 99 | L | 95.8 | Very high | 95.4 | Very high | 66 Ų | 66 | 76 Ų | 76 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 174.6 | -77.1 | 169.2 | 0 | 0 | 0 | 112 | L27 D30 Q95 V97 C103 | L27-L99 HydrophobicContact CD1-CB 4.3Å; D30-L99 HydrophobicContact CB-CD1 4.43Å; Q95-L99 WeakPolarHBondContact O-CB 3.38Å; Q95-L99 VanDerWaalsContact O-CG 3.27Å; Q95-L99 WeakPolarHBondContact O-CG 3.45Å; Q95-L99 PolarHBondContact O-N 3.43Å; V97-L99 VanDerWaalsContact C-N 3.32Å; V97-L99 PolarHBondContact O-N 3.47Å; L99-C103 WeakPolarHBondContact O-CB 3.08Å; L99-C103 PolarHBondContact O-N 3.39Å |
| 100 | V | 96.4 | Very high | 94.8 | Very high | 68 Ų | 68 | 74.6 Ų | 74.6 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 179.8 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | L27 L31 M96 V97 N102 C103 S104 | L27-V100 HydrophobicContact CD1-CG2 4.34Å; L31-V100 HydrophobicContact CD1-CG2 4Å; L31-V100 HydrophobicContact CD2-CG2 4.03Å; M96-V100 WeakPolarHBondContact O-CG2 3.13Å; M96-V100 PolarHBondContact O-N 2.98Å; V97-V100 PolarHBondContact O-N 3.35Å; V97-V100 VanDerWaalsContact O-N 3.15Å; V100-N102 PolarHBondContact O-N 3.48Å; V100-C103 PolarHBondContact O-N 3.12Å; V100-S104 PolarHBondContact O-N 3.28Å |
| 101 | E | 96.4 | Very high | 94.2 | Very high | 117 Ų | 117 | 70.9 Ų | 70.9 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 177.7 | -72.6 | -175.3 | 169.4 | 0 | 0 | 111.9 | V97 R105 | V97-E101 HydrophobicContact CG1-CG 4.06Å; V97-E101 WeakPolarHBondContact O-CB 3.15Å; V97-E101 WeakPolarHBondContact O-CG 3.42Å; V97-E101 PolarHBondContact O-N 3.23Å; E101-R105 WeakPolarHBondContact O-CB 3.38Å; E101-R105 VanDerWaalsContact O-CG 3.28Å; E101-R105 WeakPolarHBondContact O-CG 3.44Å; E101-R105 PolarHBondContact O-N 2.92Å |
| 102 | N | 94 | Very high | 93.7 | Very high | 64 Ų | 64 | 70.5 Ų | 70.5 | 34% | 0.342 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 174.9 | -176.5 | 73.7 | 0 | 0 | 0 | 111.7 | E98 V100 R105 Q106 | E98-N102 WeakPolarHBondContact O-CB 3.29Å; E98-N102 PolarHBondContact O-N 3.28Å; V100-N102 PolarHBondContact O-N 3.48Å; N102-R105 PolarHBondContact O-N 3.28Å; N102-R105 PolarHBondContact OD1-NH1 3.46Å; N102-Q106 PolarHBondContact ND2-NE2 2.61Å; N102-Q106 WeakPolarHBondContact O-CG 3.38Å; N102-Q106 PolarHBondContact O-N 3.16Å |
| 103 | C | 93.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 73.9 Ų | 73.9 | 10% | 0.101 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 174.6 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | L27 L99 V100 Q106 V107 | L27-C103 HydrophobicContact CD2-CB 4.11Å; L99-C103 WeakPolarHBondContact O-CB 3.08Å; L99-C103 PolarHBondContact O-N 3.39Å; V100-C103 PolarHBondContact O-N 3.12Å; C103-Q106 PolarHBondContact O-N 3.08Å; C103-V107 WeakPolarHBondContact O-CG2 3.46Å; C103-V107 PolarHBondContact O-N 2.66Å |
| 104 | S | 93.6 | Very high | 92.3 | Very high | 62 Ų | 62 | 73.4 Ų | 73.4 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.3 | -53.6 | 175.7 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | V100 Q106 V107 D108 | V100-S104 PolarHBondContact O-N 3.28Å; S104-Q106 PolarHBondContact O-N 3.12Å; S104-V107 PolarHBondContact O-N 3.08Å; S104-V107 VanDerWaalsContact O-N 3.1Å; S104-D108 WeakPolarHBondContact O-CB 3.23Å; S104-D108 PolarHBondContact O-N 3.35Å; S104-D108 PolarHBondContact OG-OD2 3.49Å; S104-D108 VanDerWaalsContact OG-OD2 3.12Å |
| 105 | R | 93.6 | Very high | 91.6 | Very high | 164 Ų | 164 | 77.4 Ų | 77.4 | 62% | 0.619 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.2 | -33 | -179.6 | -76.9 | 173.5 | 54.3 | -107.3 | -13.6 | 113.6 | E101 N102 W109 | E101-R105 WeakPolarHBondContact O-CB 3.38Å; E101-R105 VanDerWaalsContact O-CG 3.28Å; E101-R105 WeakPolarHBondContact O-CG 3.44Å; E101-R105 PolarHBondContact O-N 2.92Å; N102-R105 PolarHBondContact O-N 3.28Å; N102-R105 PolarHBondContact OD1-NH1 3.46Å; R105-W109 VanDerWaalsContact O-CB 3.28Å; R105-W109 WeakPolarHBondContact O-CB 3.35Å; R105-W109 PolarHBondContact O-N 3.49Å; R105-W109 VanDerWaalsContact O-N 3.1Å |
| 106 | Q | 90.3 | Very high | 90.9 | Very high | 69 Ų | 69 | 76.2 Ų | 76.2 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69 | -55.6 | 173.6 | -74.8 | 175.5 | -5.8 | 0 | 0 | 110 | L23 N102 C103 S104 D108 W109 H110 | L23-Q106 HydrophobicContact CD1-CB 3.89Å; N102-Q106 PolarHBondContact ND2-NE2 2.61Å; N102-Q106 WeakPolarHBondContact O-CG 3.38Å; N102-Q106 PolarHBondContact O-N 3.16Å; C103-Q106 PolarHBondContact O-N 3.08Å; S104-Q106 PolarHBondContact O-N 3.12Å; Q106-D108 VanDerWaalsContact C-N 3.28Å; Q106-D108 PolarHBondContact O-N 3.31Å; Q106-W109 WeakPolarHBondContact O-CA 3.35Å; Q106-W109 WeakPolarHBondContact O-CB 3.25Å; Q106-W109 PolarHBondContact O-N 3.46Å; Q106-H110 VanDerWaalsContact C-CD2 3.45Å; Q106-H110 PolarHBondContact O-CD2 2.71Å; Q106-H110 PolarHBondContact O-N 2.94Å |
| 107 | V | 89.6 | Confident | 89.8 | Confident | 33 Ų | 33 | 76.4 Ų | 76.4 | 20% | 0.2 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54 | -43.8 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 112 | Y20 L23 C103 S104 H110 S111 | Y20-V107 HydrophobicContact CD2-CG1 4.12Å; Y20-V107 HydrophobicContact CD2-CG2 4.02Å; Y20-V107 HydrophobicContact CE2-CG1 4.15Å; Y20-V107 HydrophobicContact CE2-CG2 4.35Å; L23-V107 HydrophobicContact CD1-CG2 4.22Å; C103-V107 WeakPolarHBondContact O-CG2 3.46Å; C103-V107 PolarHBondContact O-N 2.66Å; S104-V107 PolarHBondContact O-N 3.08Å; S104-V107 VanDerWaalsContact O-N 3.1Å; V107-H110 PolarHBondContact O-N 3.12Å; V107-S111 VanDerWaalsContact O-CB 3.29Å; V107-S111 WeakPolarHBondContact O-CB 3.38Å; V107-S111 PolarHBondContact O-N 2.95Å |
| 108 | D | 90.8 | Very high | 88.5 | Confident | 86 Ų | 86 | 80.7 Ų | 80.7 | 46% | 0.46 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 175 | -64.3 | -39.8 | 0 | 0 | 0 | 111.4 | S104 Q106 S111 D112 | S104-D108 WeakPolarHBondContact O-CB 3.23Å; S104-D108 PolarHBondContact O-N 3.35Å; S104-D108 PolarHBondContact OG-OD2 3.49Å; S104-D108 VanDerWaalsContact OG-OD2 3.12Å; Q106-D108 VanDerWaalsContact C-N 3.28Å; Q106-D108 PolarHBondContact O-N 3.31Å; D108-S111 WeakPolarHBondContact O-CB 3.41Å; D108-S111 PolarHBondContact O-N 3.47Å; D108-D112 PolarHBondContact O-N 2.97Å |
| 109 | W | 88.6 | Confident | 86.8 | Confident | 152 Ų | 152 | 82.2 Ų | 82.2 | 58% | 0.576 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 178.2 | 179.5 | 80.2 | 0 | 0 | 0 | 113.3 | R105 Q106 S111 D112 L113 | R105-W109 VanDerWaalsContact O-CB 3.28Å; R105-W109 WeakPolarHBondContact O-CB 3.35Å; R105-W109 PolarHBondContact O-N 3.49Å; R105-W109 VanDerWaalsContact O-N 3.1Å; Q106-W109 WeakPolarHBondContact O-CA 3.35Å; Q106-W109 WeakPolarHBondContact O-CB 3.25Å; Q106-W109 PolarHBondContact O-N 3.46Å; W109-S111 VanDerWaalsContact C-N 3.33Å; W109-D112 PolarHBondContact O-N 3.25Å; W109-L113 HydrophobicContact CH2-CD2 3.97Å; W109-L113 HydrophobicContact CZ3-CD2 4.24Å; W109-L113 PolarHBondContact O-N 3.18Å |
| 110 | H | 85.3 | Confident | 84.9 | Confident | 15 Ų | 15 | 85.1 Ų | 85.1 | 7% | 0.069 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.6 | -32 | 177.2 | -54.8 | -88.1 | 0 | 0 | 0 | 111.6 | Y16 E19 Q106 V107 L113 L114 | Y16-H110 HydrophobicContact CD2-CB 3.3Å; Y16-H110 HydrophobicContact CE2-CB 3.76Å; Y16-H110 HydrophobicContact CG-CB 4.36Å; E19-H110 IonicContact OE1-CE1 2.9Å; E19-H110 IonicContact OE2-CE1 3.94Å; E19-H110 PolarHBondContact OE2-CE1 2.89Å; E19-H110 IonicContact OE2-CG 2.65Å; E19-H110 IonicContact OE2-ND1 2.82Å; E19-H110 PolarHBondContact OE2-ND1 3.42Å; E19-H110 IonicContact OE2-NE2 2.63Å; Q106-H110 VanDerWaalsContact C-CD2 3.45Å; Q106-H110 PolarHBondContact O-CD2 2.71Å; Q106-H110 PolarHBondContact O-N 2.94Å; V107-H110 PolarHBondContact O-N 3.12Å; H110-L113 PolarHBondContact O-N 2.9Å; H110-L114 PolarHBondContact O-N 2.87Å |
| 111 | S | 86.8 | Confident | 82.8 | Confident | 40 Ų | 40 | 86.6 Ų | 86.6 | 28% | 0.28 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 171.7 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | V107 D108 W109 L113 L114 H115 | V107-S111 VanDerWaalsContact O-CB 3.29Å; V107-S111 WeakPolarHBondContact O-CB 3.38Å; V107-S111 PolarHBondContact O-N 2.95Å; D108-S111 WeakPolarHBondContact O-CB 3.41Å; D108-S111 PolarHBondContact O-N 3.47Å; W109-S111 VanDerWaalsContact C-N 3.33Å; S111-L113 VanDerWaalsContact C-N 3.33Å; S111-L113 PolarHBondContact O-N 3.39Å; S111-L114 PolarHBondContact O-N 3.42Å; S111-H115 PolarHBondContact O-CD2 3.31Å; S111-H115 PolarHBondContact O-N 3.1Å |
| 112 | D | 87.9 | Confident | 80.5 | Confident | 114 Ų | 114 | 88 Ų | 88 | 61% | 0.61 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.3 | -41.2 | 174.8 | -78.6 | -13.3 | 0 | 0 | 0 | 111.9 | D108 W109 L114 H115 A116 | D108-D112 PolarHBondContact O-N 2.97Å; W109-D112 PolarHBondContact O-N 3.25Å; D112-L114 PolarHBondContact O-N 2.93Å; D112-H115 PolarHBondContact O-N 3.27Å; D112-A116 WeakPolarHBondContact O-CB 3.28Å; D112-A116 PolarHBondContact O-N 2.82Å |
| 113 | L | 84.3 | Confident | 78.5 | Confident | 77 Ų | 77 | 90.9 Ų | 90.9 | 40% | 0.403 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 176.4 | -177.6 | 63.1 | 0 | 0 | 0 | 112.1 | V12 W109 H110 S111 S117 | V12-L113 HydrophobicContact CG1-CD2 4.3Å; V12-L113 HydrophobicContact CG1-CG 4.17Å; W109-L113 HydrophobicContact CH2-CD2 3.97Å; W109-L113 HydrophobicContact CZ3-CD2 4.24Å; W109-L113 PolarHBondContact O-N 3.18Å; H110-L113 PolarHBondContact O-N 2.9Å; S111-L113 VanDerWaalsContact C-N 3.33Å; S111-L113 PolarHBondContact O-N 3.39Å; L113-S117 WeakPolarHBondContact O-CB 3.42Å; L113-S117 PolarHBondContact O-N 3.42Å |
| 114 | L | 82.3 | Confident | 76.2 | Confident | 34 Ų | 34 | 97.7 Ų | 97.7 | 18% | 0.178 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 174.4 | -78.3 | -179.4 | 0 | 0 | 0 | 113 | V12 V13 Y16 H110 S111 D112 S117 K118 | V12-L114 HydrophobicContact CG1-CD2 3.94Å; V13-L114 HydrophobicContact CB-CD2 4.42Å; V13-L114 HydrophobicContact CG2-CD2 3.71Å; Y16-L114 HydrophobicContact CD1-CD1 3.17Å; Y16-L114 HydrophobicContact CD1-CG 4.4Å; Y16-L114 HydrophobicContact CD2-CD1 4.13Å; Y16-L114 HydrophobicContact CE1-CD1 3.62Å; Y16-L114 HydrophobicContact CE2-CD1 4.47Å; Y16-L114 HydrophobicContact CG-CD1 3.4Å; Y16-L114 HydrophobicContact CG-CG 4.23Å; H110-L114 PolarHBondContact O-N 2.87Å; S111-L114 PolarHBondContact O-N 3.42Å; D112-L114 PolarHBondContact O-N 2.93Å; L114-S117 PolarHBondContact O-N 3.3Å; L114-K118 WeakPolarHBondContact O-CB 3.29Å; L114-K118 PolarHBondContact O-N 2.94Å; L114-K118 VanDerWaalsContact O-N 3.09Å |
| 115 | H | 83.4 | Confident | 73.7 | Confident | 113 Ų | 113 | 100.6 Ų | 100.6 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 174.6 | -93.5 | -86.4 | 0 | 0 | 0 | 111.1 | S111 D112 S117 K118 E119 | S111-H115 PolarHBondContact O-CD2 3.31Å; S111-H115 PolarHBondContact O-N 3.1Å; D112-H115 PolarHBondContact O-N 3.27Å; H115-S117 VanDerWaalsContact C-N 3.32Å; H115-S117 PolarHBondContact O-N 3.19Å; H115-K118 WeakPolarHBondContact O-CA 3.47Å; H115-K118 WeakPolarHBondContact O-CB 3.49Å; H115-K118 PolarHBondContact O-N 2.99Å; H115-E119 PolarHBondContact O-N 3.46Å |
| 116 | A | 83.3 | Confident | 71.7 | Confident | 59 Ų | 59 | 97.2 Ų | 97.2 | 49% | 0.488 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D112 K118 | D112-A116 WeakPolarHBondContact O-CB 3.28Å; D112-A116 PolarHBondContact O-N 2.82Å; A116-K118 PolarHBondContact O-N 2.83Å |
| 117 | S | 74.9 | Confident | 69.1 | Low | 48 Ų | 48 | 99.8 Ų | 99.8 | 34% | 0.336 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.5 | -22.4 | 173.5 | -173.4 | 0 | 0 | 0 | 0 | 113.3 | L113 L114 H115 | L113-S117 WeakPolarHBondContact O-CB 3.42Å; L113-S117 PolarHBondContact O-N 3.42Å; L114-S117 PolarHBondContact O-N 3.3Å; H115-S117 VanDerWaalsContact C-N 3.32Å; H115-S117 PolarHBondContact O-N 3.19Å |
| 118 | K | 70.7 | Confident | 66.9 | Low | 167 Ų | 167 | 103.7 Ų | 103.7 | 73% | 0.726 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -95.3 | -20.3 | -175.7 | -165.1 | 171.9 | -176.3 | 176.7 | 0 | 113.5 | L114 H115 A116 N120 P121 | L114-K118 WeakPolarHBondContact O-CB 3.29Å; L114-K118 PolarHBondContact O-N 2.94Å; L114-K118 VanDerWaalsContact O-N 3.09Å; H115-K118 WeakPolarHBondContact O-CA 3.47Å; H115-K118 WeakPolarHBondContact O-CB 3.49Å; H115-K118 PolarHBondContact O-N 2.99Å; A116-K118 PolarHBondContact O-N 2.83Å; K118-N120 VanDerWaalsContact C-N 3.25Å; K118-N120 PolarHBondContact O-N 3.34Å; K118-P121 WeakPolarHBondContact O-CD 3.24Å; K118-P121 WeakPolarHBondContact O-CG 3.29Å |
| 119 | E | 62.4 | Low | 64.6 | Low | 163 Ų | 163 | 106.1 Ų | 106.1 | 76% | 0.762 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -80.4 | -1.1 | 173.4 | -70.5 | -172.4 | 164.8 | 0 | 0 | 113.8 | H115 P121 | H115-E119 PolarHBondContact O-N 3.46Å; E119-P121 WeakPolarHBondContact O-CD 3.29Å |
| 120 | N | 55.8 | Low | 62.3 | Low | 128 Ų | 128 | 102.5 Ų | 102.5 | 68% | 0.684 | 59% | 0.588 | S | S | * | * | trans | -102 | 32.2 | -179.2 | -139.5 | -2.7 | 0 | 0 | 0 | 118 | K118 | K118-N120 VanDerWaalsContact C-N 3.25Å; K118-N120 PolarHBondContact O-N 3.34Å | ||
| 121 | P | 52.5 | Low | 60.3 | Low | 98 Ų | 98 | 110.2 Ų | 110.2 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -85.3 | -24.7 | 177.7 | -5.1 | 25.1 | 0 | 0 | 0 | 114.8 | K118 E119 | K118-P121 WeakPolarHBondContact O-CD 3.24Å; K118-P121 WeakPolarHBondContact O-CG 3.29Å; E119-P121 WeakPolarHBondContact O-CD 3.29Å |
| 122 | D | 46.4 | Very low | 57.8 | Low | 147 Ų | 147 | 113.7 Ų | 113.7 | 79% | 0.786 | 65% | 0.646 | S | S | * | * | trans | -129.4 | 77.6 | -165.1 | -78.5 | -60.8 | 0 | 0 | 0 | 113.3 | ||||
| 123 | T | 52.1 | Low | 55.3 | Low | 124 Ų | 124 | 114.2 Ų | 114.2 | 76% | 0.761 | 65% | 0.654 | S | S | * | * | trans | -119 | 124.8 | 148.3 | -52.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 124 | H | 46.1 | Very low | 52.9 | Low | 158 Ų | 158 | 116.6 Ų | 116.6 | 73% | 0.731 | 67% | 0.672 | S | S | * | * | trans | 92.2 | 84.2 | 165.9 | -135.6 | -99 | 0 | 0 | 0 | 119 | ||||
| 125 | V | 41.4 | Very low | 50.5 | Low | 124 Ų | 124 | 119.3 Ų | 119.3 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | trans | -116.3 | 110 | 143.1 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | T127 | V125-T127 PolarHBondContact O-N 2.88Š| ||
| 126 | P | 50.3 | Low | 48.2 | Very low | 92 Ų | 92 | 118.5 Ų | 118.5 | 60% | 0.597 | 71% | 0.711 | S | S | * | * | trans | -91.4 | 93.4 | 177 | 34.6 | -31.1 | 0 | 0 | 0 | 110.7 | S128 | P126-S128 PolarHBondContact O-N 2.87Š| ||
| 127 | T | 36.8 | Very low | 45.9 | Very low | 123 Ų | 123 | 121.2 Ų | 121.2 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | -81.3 | 85.4 | 173 | -56 | 0 | 0 | 0 | 0 | 111 | V125 | V125-T127 PolarHBondContact O-N 2.88Š| ||
| 128 | S | 43.4 | Very low | 44 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -78.2 | 113.4 | 155.9 | -81.1 | 0 | 0 | 0 | 0 | 109.4 | P126 | P126-S128 PolarHBondContact O-N 2.87Š| ||
| 129 | T | 41.5 | Very low | 42.9 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | -143.9 | 131.7 | 152.7 | -59.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 130 | A | 39.8 | Very low | 42.4 | Very low | 75 Ų | 75 | 122.2 Ų | 122.2 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | trans | -122.6 | 150.2 | -164.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 131 | M | 44 | Very low | 41.4 | Very low | 178 Ų | 178 | 121.3 Ų | 121.3 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | 73.2 | 148.7 | 162 | -35.1 | -162 | -180 | 0 | 0 | 114.3 | ||||
| 132 | T | 33.7 | Very low | 40.4 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | cis | -150.2 | 149.3 | 27.9 | 40.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 133 | T | 36.6 | Very low | 39.6 | Very low | 125 Ų | 125 | 122 Ų | 122 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | trans | 60.9 | 140.1 | 145.8 | 57.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 134 | T | 33.3 | Very low | 38.4 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | cis | -163.8 | 160.5 | 19.1 | -11.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 135 | A | 32.3 | Very low | 37.7 | Very low | 90 Ų | 90 | 120.9 Ų | 120.9 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | 69.1 | 102.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 136 | A | 35.8 | Very low | 37.3 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | 71.5 | 98.6 | 119.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 137 | S | 34.5 | Very low | 36.9 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | 87.7 | 152.5 | 114.4 | -148.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 138 | I | 35.2 | Very low | 36.7 | Very low | 159 Ų | 159 | 120.5 Ų | 120.5 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | 84.8 | 109.7 | 165.1 | -46.5 | 178.7 | 0 | 0 | 0 | 118.1 | ||||
| 139 | V | 46.9 | Very low | 36.3 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -95 | 167 | 156.1 | -102.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 140 | P | 53.1 | Low | 35.9 | Very low | 108 Ų | 108 | 124 Ų | 124 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | -144.9 | -173.7 | 20.9 | 42.6 | -22.1 | 0 | 0 | 0 | 117.6 | ||||
| 141 | S | 33.4 | Very low | 35.6 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 65.4 | 114 | 142.6 | -67.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 142 | A | 32.5 | Very low | 35.2 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | 76.7 | 145.6 | 113.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 143 | E | 29.8 | Very low | 35.3 | Very low | 174 Ų | 174 | 125.7 Ų | 125.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 94.3 | 127.5 | 152.4 | -49.8 | -154.5 | 177.3 | 0 | 0 | 122.9 | ||||
| 144 | T | 26.3 | Very low | 35.2 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 57.2 | 119 | 147.8 | 53.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 145 | T | 30.3 | Very low | 35.5 | Very low | 143 Ų | 143 | 125.1 Ų | 125.1 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | -178.8 | 160.6 | 96.5 | 29.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 146 | T | 33 | Very low | 35.5 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -89.7 | -175.1 | -179.3 | 45.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 147 | P | 43.4 | Very low | 35.6 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | cis | -135.2 | -173.9 | 13.1 | 42.5 | -22.7 | 0 | 0 | 0 | 115.5 | ||||
| 148 | G | 31.1 | Very low | 35.5 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | cis | 162.9 | 150.9 | -12.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 149 | K | 36.5 | Very low | 35.4 | Very low | 223 Ų | 223 | 138.1 Ų | 138.1 | 97% | 0.97 | 77% | 0.765 | S | S | * | * | trans | 65.2 | 150 | 170.2 | -67.2 | -178.3 | 176.2 | 179 | 0 | 117.7 | ||||
| 150 | A | 32.5 | Very low | 34.8 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | cis | -142.3 | 167.9 | 9.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 151 | G | 33.1 | Very low | 34.2 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | cis | 178.1 | 179.4 | -1.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 152 | H | 35.1 | Very low | 34.7 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | 50.6 | 117.2 | 166.8 | -93 | -119.1 | 0 | 0 | 0 | 121.2 | ||||
| 153 | H | 37.3 | Very low | 34.6 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | 74.1 | 126.8 | 76.6 | -128.2 | -110.9 | 0 | 0 | 0 | 113.1 | |||||
| 154 | D | 34.4 | Very low | 34.6 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 50% | 0.503 | 77% | 0.77 | S | S | . | * | cis | -159 | 150.9 | 3.5 | -156.4 | -148 | 0 | 0 | 0 | 113.2 | ||||
| 155 | K | 38.2 | Very low | 34.7 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 64% | 0.635 | 78% | 0.78 | S | S | * | * | trans | 35.9 | 138.1 | 145.2 | -79.8 | -178.4 | -152.9 | 75.3 | 0 | 121.8 | ||||
| 156 | R | 33.5 | Very low | 34.5 | Very low | 230 Ų | 230 | 136.4 Ų | 136.4 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | -153.9 | 153 | 59 | -89 | -170.2 | 174.5 | -89 | -1.8 | 116.1 | |||||
| 157 | R | 37.1 | Very low | 34.1 | Very low | 214 Ų | 214 | 134.1 Ų | 134.1 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -73.4 | 170 | 161.4 | -118.8 | 177.1 | 179.8 | -107.6 | 4.2 | 110.2 | ||||
| 158 | D | 32 | Very low | 33.3 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | cis | -157.7 | 165.4 | 32.6 | -112.9 | -48.8 | 0 | 0 | 0 | 112.3 | ||||
| 159 | E | 34.1 | Very low | 33.1 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -75.2 | 166.5 | 165.9 | -54.2 | -169.5 | 106.5 | 0 | 0 | 112.2 | ||||
| 160 | V | 33.8 | Very low | 32.8 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | -166 | 142.3 | 105.8 | -147.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 161 | T | 39.6 | Very low | 32.8 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -92.4 | 146.8 | 163.8 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 162 | P | 44.8 | Very low | 32.6 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -141.6 | 165.9 | 134.4 | 35.8 | -21.3 | 0 | 0 | 0 | 114.8 | ||||
| 163 | C | 30.2 | Very low | 32.3 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -105.5 | 152.2 | -172.6 | -59.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 164 | S | 29.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 85.8 | 147.1 | 140.5 | -64.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 165 | V | 28.8 | Very low | 32 | Very low | 153 Ų | 153 | 138 Ų | 138 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | trans | 90.8 | 113.2 | 157.1 | -162 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 166 | G | 26.2 | Very low | 31.6 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | 127.8 | 94 | 128.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 167 | G | 24.6 | Very low | 31.7 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | 86.1 | 113.4 | 122 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 168 | G | 25.7 | Very low | 31.3 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 80.7 | 158.1 | 145.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 169 | D | 28.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 66% | 0.658 | 80% | 0.801 | S | S | * | * | cis | -167.5 | 143.4 | -11.1 | -164.2 | -137.7 | 0 | 0 | 0 | 111.1 | ||||
| 170 | K | 30.8 | Very low | 31.6 | Very low | 177 Ų | 177 | 133 Ų | 133 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 61.4 | 148.6 | 168.5 | -60.8 | 167.1 | 178.6 | 109.3 | 0 | 117.4 | ||||
| 171 | S | 31.7 | Very low | 31.3 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | cis | -165.9 | 146.3 | 43 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 172 | G | 28.4 | Very low | 30.8 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | 65.2 | 146.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 173 | G | 29.7 | Very low | 30.1 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | cis | -167.9 | 158.4 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 174 | K | 32.2 | Very low | 30.1 | Very low | 201 Ų | 201 | 131.1 Ų | 131.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -90.7 | 161.7 | -177.9 | -61.9 | 172.7 | 176.9 | 176.3 | 0 | 112 | ||||
| 175 | R | 33.2 | Very low | 29.8 | Very low | 239 Ų | 239 | 135.6 Ų | 135.6 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | 114.6 | 115.6 | 155.1 | -67.1 | 164.8 | 177.3 | 162.3 | -1.2 | 113.1 | ||||
| 176 | S | 28.9 | Very low | 29.8 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | 79.2 | 110 | 67.3 | 164.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 177 | R | 35.2 | Very low | 29.9 | Very low | 252 Ų | 252 | 136 Ų | 136 | 95% | 0.951 | 75% | 0.752 | S | S | * | * | trans | -143 | 152.3 | 140.2 | -148.5 | 166.3 | -163.9 | 160.6 | 5.5 | 111.6 | ||||
| 178 | R | 29.9 | Very low | 29.9 | Very low | 196 Ų | 196 | 142.1 Ų | 142.1 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -137.4 | 129.3 | -167.6 | 150.1 | 178.4 | -174.9 | -173.3 | 3.4 | 107.3 | ||||
| 179 | Q | 38.4 | Very low | 30.1 | Very low | 109 Ų | 109 | 141 Ų | 141 | 51% | 0.509 | 74% | 0.739 | S | S | . | * | trans | 58.2 | 162.4 | 149.1 | -74.6 | -176.6 | -25.7 | 0 | 0 | 118.5 | ||||
| 180 | K | 33.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 45% | 0.448 | 74% | 0.74 | S | S | . | * | cis | 178.5 | 162 | -15.9 | 162 | 166.7 | 164.7 | 158.7 | 0 | 108.3 | E283 | K180-E283 WeakPolarHBondContact CE-OE2 3.43Å; K180-E283 IonicContact NZ-OE2 3.95Å; K180-E283 PolarHBondContact NZ-OE2 2.81Å | ||
| 181 | S | 27.7 | Very low | 30 | Very low | 89 Ų | 89 | 140.3 Ų | 140.3 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | trans | 65.1 | 155.3 | 163.1 | -76.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 182 | G | 30.1 | Very low | 29.8 | Very low | 67 Ų | 67 | 138.1 Ų | 138.1 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | cis | 168.6 | 176.6 | 7.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 183 | E | 29.9 | Very low | 29.7 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | cis | -163.1 | 149.7 | -3.1 | -100.2 | 155.3 | 144.9 | 0 | 0 | 107.4 | ||||
| 184 | N | 28.7 | Very low | 29.6 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | trans | 20.8 | 130.9 | 136.6 | -172.1 | 55.6 | 0 | 0 | 0 | 122.5 | ||||
| 185 | W | 23.4 | Very low | 29.3 | Very low | 208 Ų | 208 | 141.5 Ų | 141.5 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | -163.3 | 176.2 | 119.9 | -151.8 | -95.4 | 0 | 0 | 0 | 112.6 | |||||
| 186 | E | 29.5 | Very low | 28.9 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 59% | 0.589 | 72% | 0.719 | S | S | * | * | trans | -114.3 | 167.7 | -146.2 | -39.9 | 163.7 | 135.8 | 0 | 0 | 118.2 | ||||
| 187 | S | 27.7 | Very low | 28.9 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | 70.4 | 108.7 | 132.3 | -161.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 188 | Y | 26.1 | Very low | 28.7 | Very low | 213 Ų | 213 | 129.4 Ų | 129.4 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | -171.9 | 158 | 127.6 | -144.8 | -102.6 | 0 | 0 | 0 | 111 | |||||
| 189 | G | 29.7 | Very low | 28.9 | Very low | 56 Ų | 56 | 126.3 Ų | 126.3 | 58% | 0.577 | 71% | 0.706 | S | S | * | * | cis | 155.8 | 139.8 | -18.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 190 | S | 28.8 | Very low | 28.7 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | trans | 88.1 | 125.5 | 161.1 | -147.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 191 | M | 26.8 | Very low | 28.6 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | 63.3 | 135.8 | 155.5 | -58.5 | -89.6 | -175.4 | 0 | 0 | 120.7 | ||||
| 192 | G | 27.2 | Very low | 28.7 | Very low | 69 Ų | 69 | 136.9 Ų | 136.9 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | 170 | 167.4 | -8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 193 | H | 27.1 | Very low | 28.8 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 87% | 0.87 | 75% | 0.746 | S | S | * | * | trans | 44 | 121 | 151.4 | -144.3 | -132.5 | 0 | 0 | 0 | 118.6 | ||||
| 194 | V | 27.7 | Very low | 28.7 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 66% | 0.655 | 74% | 0.74 | S | S | * | * | cis | -143 | -164.3 | 44.9 | -72.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 195 | D | 26.5 | Very low | 28.8 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | cis | -155.7 | -174.2 | 4.4 | -141.2 | -44.6 | 0 | 0 | 0 | 111.3 | ||||
| 196 | E | 24.5 | Very low | 29 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | trans | -102.7 | 175.9 | 173 | -113.8 | -159.2 | 99.2 | 0 | 0 | 112.5 | ||||
| 197 | V | 29 | Very low | 29.1 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | cis | -158 | 149.4 | 45.9 | -146.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 198 | A | 30.2 | Very low | 29 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | trans | -99.1 | 175.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 199 | P | 34.2 | Very low | 29.1 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | -151.1 | 167 | 95.9 | 35.5 | -16.2 | 0 | 0 | 0 | 116.7 | |||||
| 200 | R | 33.8 | Very low | 29.2 | Very low | 229 Ų | 229 | 142.8 Ų | 142.8 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -85.1 | 173.3 | 175.3 | -64.8 | 168.3 | 150.9 | -121.1 | -3.1 | 112 | ||||
| 201 | E | 31.4 | Very low | 29.3 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 66% | 0.659 | 76% | 0.764 | S | S | * | * | 169.2 | 132.9 | 101.7 | -82.5 | -152.1 | 162.2 | 0 | 0 | 116.6 | |||||
| 202 | K | 30.7 | Very low | 29.5 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | trans | 48.2 | 131.2 | 135.2 | -53.2 | 174.2 | -167.4 | 150.4 | 0 | 118.5 | ||||
| 203 | R | 31.8 | Very low | 29.6 | Very low | 243 Ų | 243 | 151.6 Ų | 151.6 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | -166.6 | -156.1 | 65.7 | -129.2 | 148.6 | -171.6 | -161.1 | 4.3 | 114.2 | |||||
| 204 | A | 28.9 | Very low | 29.8 | Very low | 83 Ų | 83 | 147.8 Ų | 147.8 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | trans | -163.3 | 179 | -146.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 205 | K | 29.5 | Very low | 30 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | trans | 85.9 | 151.8 | 173.3 | -45.4 | 170.1 | 179.5 | -177.8 | 0 | 114.3 | ||||
| 206 | T | 27.8 | Very low | 30.2 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | cis | -154.9 | 146.9 | 22.6 | 44.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 207 | L | 31 | Very low | 30.6 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | 46.2 | 143.3 | 127.4 | -51.1 | 176.3 | 0 | 0 | 0 | 121 | |||||
| 208 | S | 27.2 | Very low | 30.9 | Very low | 100 Ų | 100 | 151.6 Ų | 151.6 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | cis | -174.2 | 170.2 | 4.7 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 209 | S | 28.5 | Very low | 31.2 | Very low | 101 Ų | 101 | 157.8 Ų | 157.8 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 84.9 | 102.8 | 143.2 | -67.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 210 | K | 30.3 | Very low | 32 | Very low | 192 Ų | 192 | 162.6 Ų | 162.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | 83.6 | 113.6 | 109.6 | -154.8 | 175.8 | -169.3 | 168.8 | 0 | 120 | |||||
| 211 | K | 30.8 | Very low | 32.1 | Very low | 168 Ų | 168 | 161 Ų | 161 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | 149.4 | 122.4 | 104 | -159.4 | 169.2 | -176.4 | -176.3 | 0 | 117.7 | |||||
| 212 | K | 32.2 | Very low | 32.7 | Very low | 178 Ų | 178 | 160.1 Ų | 160.1 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | trans | 65.6 | 112.5 | 147.8 | -76.4 | -176 | 175.8 | -171.9 | 0 | 123.9 | ||||
| 213 | K | 28.7 | Very low | 33.6 | Very low | 194 Ų | 194 | 158 Ų | 158 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | 56.1 | 111.3 | 113.8 | -173 | -172.8 | 178.3 | 179 | 0 | 120.9 | |||||
| 214 | S | 30.7 | Very low | 35 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | 174 | 122.1 | 103.7 | 58.3 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 215 | K | 32.8 | Very low | 35.6 | Very low | 216 Ų | 216 | 155.3 Ų | 155.3 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | trans | 24.7 | 114 | 136.7 | -170.1 | 177.6 | -175.9 | 177.8 | 0 | 119.9 | ||||
| 216 | G | 30.9 | Very low | 36.6 | Very low | 77 Ų | 77 | 153.6 Ų | 153.6 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 173.4 | 68.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 217 | K | 32.5 | Very low | 37.8 | Very low | 207 Ų | 207 | 154.3 Ų | 154.3 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | trans | 32.3 | 96.9 | 146.5 | -157.3 | 179.5 | -174.4 | -171.7 | 0 | 121.1 | ||||
| 218 | S | 35.6 | Very low | 38.8 | Very low | 112 Ų | 112 | 152.2 Ų | 152.2 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 47.9 | 106.2 | 133.9 | 179.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 219 | E | 36.5 | Very low | 39.7 | Very low | 202 Ų | 202 | 153.9 Ų | 153.9 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | -146.6 | 168.8 | 136.8 | -123.9 | 167.4 | 163.9 | 0 | 0 | 111.3 | ||||
| 220 | R | 49.4 | Very low | 41.1 | Very low | 231 Ų | 231 | 154.1 Ų | 154.1 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -97.8 | 130.2 | -158.8 | 167.5 | -167.2 | -171.5 | 176.2 | 2.1 | 112 | ||||
| 221 | E | 36.8 | Very low | 42.8 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -151.6 | 159.4 | 159.1 | -79.4 | -133.8 | 133 | 0 | 0 | 111.2 | ||||
| 222 | V | 43.5 | Very low | 44.5 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | trans | -123.3 | 116.8 | -171.1 | 171 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 223 | S | 50.2 | Low | 46.4 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 65.6 | 168.3 | 156.5 | -60.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 224 | P | 60.8 | Low | 48.5 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -123.6 | 148.2 | -14.4 | 19.6 | 2 | 0 | 0 | 0 | 113.4 | ||||
| 225 | L | 41 | Very low | 51 | Low | 158 Ų | 158 | 138.8 Ų | 138.8 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -140.9 | 119.8 | 157.9 | -78 | -179.5 | 0 | 0 | 0 | 111.3 | L227 | L225-L227 PolarHBondContact O-N 2.71Š| ||
| 226 | D | 50.4 | Low | 53.5 | Low | 165 Ų | 165 | 132 Ų | 132 | 88% | 0.882 | 72% | 0.722 | S | S | * | * | trans | -68.3 | 90.8 | 168.4 | -177.1 | 23.8 | 0 | 0 | 0 | 109.3 | ||||
| 227 | L | 53.4 | Low | 56.3 | Low | 130 Ų | 130 | 128.5 Ų | 128.5 | 68% | 0.681 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 134.7 | 171.4 | -73.2 | 169.5 | 0 | 0 | 0 | 108.4 | L225 I229 | L225-L227 PolarHBondContact O-N 2.71Å; L227-I229 PolarHBondContact O-N 3.12Å; L227-I229 VanDerWaalsContact O-N 3.07Å |
| 228 | P | 51.9 | Low | 58.8 | Low | 119 Ų | 119 | 121.9 Ų | 121.9 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 118.2 | 175.4 | 25.7 | -33.3 | 0 | 0 | 0 | 109.3 | D230 | P228-D230 PolarHBondContact O-N 3.44Š|
| 229 | I | 46.2 | Very low | 61.3 | Low | 135 Ų | 135 | 118.6 Ų | 118.6 | 69% | 0.692 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 124.1 | -176.8 | -60.4 | 167.5 | 0 | 0 | 0 | 109 | L227 P231 | L227-I229 PolarHBondContact O-N 3.12Å; L227-I229 VanDerWaalsContact O-N 3.07Å; I229-P231 WeakPolarHBondContact O-CD 3.3Å |
| 230 | D | 57.8 | Low | 63.6 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 57% | 0.572 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 118.5 | -177.5 | -159.6 | -18.9 | 0 | 0 | 0 | 108.9 | P228 D232 E233 | P228-D230 PolarHBondContact O-N 3.44Å; D230-D232 PolarHBondContact O-N 3.48Å; D230-E233 PolarHBondContact O-N 3.33Å |
| 231 | P | 66.9 | Low | 65.1 | Low | 121 Ų | 121 | 109.4 Ų | 109.4 | 79% | 0.786 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -3.4 | -170.1 | 26 | -36.5 | 0 | 0 | 0 | 115.5 | I229 | I229-P231 WeakPolarHBondContact O-CD 3.3Š|
| 232 | D | 66.8 | Low | 67.5 | Low | 150 Ų | 150 | 101.9 Ų | 101.9 | 80% | 0.802 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 5 | 177.1 | -73.3 | -45.1 | 0 | 0 | 0 | 113.8 | D230 | D230-D232 PolarHBondContact O-N 3.48Š|
| 233 | E | 71.6 | Confident | 69.5 | Low | 86 Ų | 86 | 99 Ų | 99 | 40% | 0.402 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -76.7 | 125.4 | 177.1 | -165.7 | 172.6 | -179.7 | 0 | 0 | 111.9 | D230 T235 V242 | D230-E233 PolarHBondContact O-N 3.33Å; E233-T235 PolarHBondContact O-N 2.91Å; E233-V242 HydrophobicContact CB-CG1 3.86Å; E233-V242 HydrophobicContact CG-CB 4.17Å; E233-V242 HydrophobicContact CG-CG1 3.74Å; E233-V242 WeakPolarHBondContact OE2-CG1 3.39Å |
| 234 | P | 73.3 | Confident | 71.1 | Confident | 73 Ų | 73 | 98.5 Ų | 98.5 | 47% | 0.474 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 133.5 | -177 | 25 | -34.1 | 0 | 0 | 0 | 112.3 | Y236 | P234-Y236 HydrophobicContact CB-CE2 4.17Å; P234-Y236 HydrophobicContact CG-CE2 3.93Å; P234-Y236 WeakPolarHBondContact CG-OH 3.47Å; P234-Y236 VanDerWaalsContact O-CD2 3.29Å; P234-Y236 WeakPolarHBondContact O-CD2 3.44Å; P234-Y236 VanDerWaalsContact O-CE2 3.24Å; P234-Y236 WeakPolarHBondContact O-CE2 3.19Å |
| 235 | T | 82.1 | Confident | 72.4 | Confident | 88 Ų | 88 | 96.9 Ų | 96.9 | 54% | 0.54 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 140.2 | 179 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | E233 E240 | E233-T235 PolarHBondContact O-N 2.91Å; T235-E240 WeakPolarHBondContact CB-O 3.3Å; T235-E240 WeakPolarHBondContact CG2-O 3.31Å |
| 236 | Y | 85.9 | Confident | 74.7 | Confident | 74 Ų | 74 | 95.2 Ų | 95.2 | 29% | 0.29 | 53% | 0.529 | S | S | . | . | B | Isolated β-bridge | trans | -129.9 | 174.7 | -178 | -59.9 | -72.4 | 0 | 0 | 0 | 111 | P234 E240 Q241 M247 W259 | P234-Y236 HydrophobicContact CB-CE2 4.17Å; P234-Y236 HydrophobicContact CG-CE2 3.93Å; P234-Y236 WeakPolarHBondContact CG-OH 3.47Å; P234-Y236 VanDerWaalsContact O-CD2 3.29Å; P234-Y236 WeakPolarHBondContact O-CD2 3.44Å; P234-Y236 VanDerWaalsContact O-CE2 3.24Å; P234-Y236 WeakPolarHBondContact O-CE2 3.19Å; Y236-E240 PolarHBondContact O-N 2.89Å; Y236-Q241 PolarHBondContact N-O 2.91Å; Y236-Q241 PolarHBondContact O-N 2.93Å; Y236-M247 HydrophobicContact CG-CE 4.33Å; Y236-W259 HydrophobicContact CD1-CB 4.06Å; Y236-W259 HydrophobicContact CG-CB 4.35Å |
| 237 | C | 89.3 | Confident | 76.7 | Confident | 3 Ų | 3 | 89.6 Ų | 89.6 | 2% | 0.02 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -174.9 | -179.4 | -158.1 | 0 | 0 | 0 | 0 | 114.8 | C239 I257 W259 F260 H261 C264 | C237-C239 VanDerWaalsContact C-N 3.28Å; C237-I257 VanDerWaalsContact N-CG2 3.31Å; C237-W259 VanDerWaalsContact CA-O 3.23Å; C237-W259 WeakPolarHBondContact CA-O 3.49Å; C237-W259 PolarHBondContact N-O 2.96Å; C237-F260 HydrophobicContact CB-CB 4.45Å; C237-F260 HydrophobicContact CB-CD1 4.35Å; C237-F260 VanDerWaalsContact SG-CA 3.52Å; C237-H261 WeakPolarHBondContact CB-ND1 3.24Å; C237-H261 PolarHBondContact SG-N 2.81Å; C237-H261 VanDerWaalsContact SG-N 3.35Å; C237-C264 WeakPolarHBondContact SG-CB 3.18Å |
| 238 | L | 85.3 | Confident | 78.6 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -13.9 | 176.8 | -59.9 | 175.5 | 0 | 0 | 0 | 113 | I257 F260 P278 K279 | L238-I257 HydrophobicContact CD2-CD1 4.03Å; L238-F260 HydrophobicContact CD2-CE1 3.93Å; L238-F260 HydrophobicContact CG-CD1 4.07Å; L238-F260 HydrophobicContact CG-CE1 3.85Å; L238-P278 HydrophobicContact CD1-CG 4.27Å; L238-K279 HydrophobicContact CD2-CD 3.82Å; L238-K279 HydrophobicContact CD2-CG 4.25Å |
| 239 | C | 88.8 | Confident | 80.5 | Confident | 44 Ų | 44 | 79.7 Ų | 79.7 | 30% | 0.297 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -3.7 | 177.9 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | C237 Q241 H261 | C237-C239 VanDerWaalsContact C-N 3.28Å; C239-Q241 HydrophobicContact CB-CG 4.04Å; C239-Q241 WeakPolarHBondContact O-CG 3.45Å; C239-Q241 PolarHBondContact O-N 3.44Å; C239-Q241 VanDerWaalsContact O-N 3.16Å; C239-Q241 PolarHBondContact O-NE2 3.47Å; C239-Q241 VanDerWaalsContact O-NE2 3.07Å; C239-H261 PolarHBondContact SG-CE1 3.36Å; C239-H261 PolarHBondContact SG-ND1 2.98Å; C239-H261 VanDerWaalsContact SG-ND1 3.39Å |
| 240 | E | 84.4 | Confident | 82.7 | Confident | 143 Ų | 143 | 74 Ų | 74 | 67% | 0.668 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 37.1 | -179.9 | -59.4 | 177.6 | -174.8 | 0 | 0 | 112.3 | T235 Y236 | T235-E240 WeakPolarHBondContact CB-O 3.3Å; T235-E240 WeakPolarHBondContact CG2-O 3.31Å; Y236-E240 PolarHBondContact O-N 2.89Å |
| 241 | Q | 81.2 | Confident | 84.2 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 45% | 0.453 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -104.8 | 161.8 | 177.7 | -62 | -53.2 | -70.3 | 0 | 0 | 111.2 | Y236 C239 Y244 | Y236-Q241 PolarHBondContact N-O 2.91Å; Y236-Q241 PolarHBondContact O-N 2.93Å; C239-Q241 HydrophobicContact CB-CG 4.04Å; C239-Q241 WeakPolarHBondContact O-CG 3.45Å; C239-Q241 PolarHBondContact O-N 3.44Å; C239-Q241 VanDerWaalsContact O-N 3.16Å; C239-Q241 PolarHBondContact O-NE2 3.47Å; C239-Q241 VanDerWaalsContact O-NE2 3.07Å; Q241-Y244 HydrophobicContact CB-CD1 4.44Å; Q241-Y244 HydrophobicContact CB-CE1 3.88Å; Q241-Y244 HydrophobicContact CG-CE1 4.41Å |
| 242 | V | 86.9 | Confident | 85.1 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | trans | -58.4 | 165.3 | 171.7 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | E233 Y244 H261 | E233-V242 HydrophobicContact CB-CG1 3.86Å; E233-V242 HydrophobicContact CG-CB 4.17Å; E233-V242 HydrophobicContact CG-CG1 3.74Å; E233-V242 WeakPolarHBondContact OE2-CG1 3.39Å; V242-Y244 VanDerWaalsContact O-CD1 3.29Å; V242-Y244 WeakPolarHBondContact O-CD1 3.31Å; V242-Y244 PolarHBondContact O-N 3.46Å; V242-H261 PolarHBondContact O-NE2 2.94Å | ||
| 243 | S | 85.1 | Confident | 85.8 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 43% | 0.427 | 37% | 0.372 | S | S | . | . | trans | -67 | 121.8 | 176.3 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | M247 | S243-M247 VanDerWaalsContact CA-SD 3.57Å; S243-M247 WeakPolarHBondContact CB-SD 3.46Å | ||
| 244 | Y | 84.6 | Confident | 86.3 | Confident | 99 Ų | 99 | 71 Ų | 71 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | trans | -141.7 | 150.1 | 175.8 | 64.8 | -103.4 | 0 | 0 | 0 | 112.4 | Q241 V242 H261 C264 | Q241-Y244 HydrophobicContact CB-CD1 4.44Å; Q241-Y244 HydrophobicContact CB-CE1 3.88Å; Q241-Y244 HydrophobicContact CG-CE1 4.41Å; V242-Y244 VanDerWaalsContact O-CD1 3.29Å; V242-Y244 WeakPolarHBondContact O-CD1 3.31Å; V242-Y244 PolarHBondContact O-N 3.46Å; Y244-H261 AromaticContact CD1-CD2 3.59Å; Y244-H261 AromaticContact CD1-NE2 3.3Å; Y244-H261 VanDerWaalsContact CD1-NE2 3.3Å; Y244-H261 WeakPolarHBondContact CD1-NE2 3.42Å; Y244-H261 AromaticContact CD2-CD2 3.77Å; Y244-H261 AromaticContact CE1-CD2 3.55Å; Y244-H261 AromaticContact CE1-CE1 3.62Å; Y244-H261 AromaticContact CE1-CG 3.99Å; Y244-H261 AromaticContact CE1-NE2 3.29Å; Y244-H261 VanDerWaalsContact CE1-NE2 3.29Å; Y244-H261 WeakPolarHBondContact CE1-NE2 3.34Å; Y244-H261 HydrophobicContact CE2-CB 4.15Å; Y244-H261 AromaticContact CE2-CD2 3.72Å; Y244-H261 AromaticContact CE2-CG 3.96Å; Y244-H261 AromaticContact CG-CD2 3.69Å; Y244-H261 AromaticContact CG-NE2 3.85Å; Y244-H261 AromaticContact CZ-CD2 3.61Å; Y244-H261 AromaticContact CZ-CG 3.71Å; Y244-H261 AromaticContact CZ-NE2 3.82Å; Y244-H261 PolarHBondContact O-CD2 2.92Å; Y244-C264 PolarHBondContact OH-SG 3.17Å | ||
| 245 | G | 86.8 | Confident | 86.9 | Confident | 78 Ų | 78 | 68 Ų | 68 | 80% | 0.804 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 58.6 | -143.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 246 | E | 90.9 | Very high | 86.8 | Confident | 123 Ų | 123 | 72.2 Ų | 72.2 | 58% | 0.575 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -84.7 | 132.4 | 175 | -62.9 | -164.4 | 128.4 | 0 | 0 | 111.3 | F262 | E246-F262 HydrophobicContact CB-CB 4.16Å; E246-F262 HydrophobicContact CB-CD1 3.8Å; E246-F262 HydrophobicContact CB-CD2 3.68Å; E246-F262 HydrophobicContact CB-CE1 3.99Å; E246-F262 HydrophobicContact CB-CE2 3.87Å; E246-F262 HydrophobicContact CB-CG 3.64Å; E246-F262 HydrophobicContact CB-CZ 4.03Å; E246-F262 HydrophobicContact CG-CD2 4.49Å; E246-F262 HydrophobicContact CG-CE2 4.49Å; E246-F262 WeakPolarHBondContact O-CB 3.48Å; E246-F262 VanDerWaalsContact O-CD1 3.31Å; E246-F262 WeakPolarHBondContact O-CD1 3.49Å; E246-F262 PolarHBondContact O-N 3.09Å; E246-F262 VanDerWaalsContact OE2-CD2 3.24Å; E246-F262 WeakPolarHBondContact OE2-CD2 3.31Å; E246-F262 WeakPolarHBondContact OE2-CE2 3.4Å |
| 247 | M | 91.9 | Very high | 86.7 | Confident | 46 Ų | 46 | 70.7 Ų | 70.7 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.4 | 179.2 | -61.7 | -173.1 | 81.2 | 0 | 0 | 112.3 | Y236 S243 W259 F260 | Y236-M247 HydrophobicContact CG-CE 4.33Å; S243-M247 VanDerWaalsContact CA-SD 3.57Å; S243-M247 WeakPolarHBondContact CB-SD 3.46Å; M247-W259 HydrophobicContact CB-CE3 4.49Å; M247-W259 HydrophobicContact CE-CB 3.97Å; M247-F260 CarbonylContact C-O 3.58Å; M247-F260 VanDerWaalsContact CA-O 3.24Å; M247-F260 WeakPolarHBondContact CA-O 3.24Å |
| 248 | I | 92.6 | Very high | 86.7 | Confident | 16 Ų | 16 | 75.7 Ų | 75.7 | 8% | 0.082 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.4 | 178.2 | -170.2 | 160.9 | 0 | 0 | 0 | 111.2 | W259 F260 F262 V265 L267 P271 W275 | I248-W259 WeakPolarHBondContact O-CA 3.47Å; I248-F260 HydrophobicContact CG2-CB 4.1Å; I248-F260 PolarHBondContact N-O 3.31Å; I248-F260 PolarHBondContact O-N 3.36Å; I248-F262 HydrophobicContact CB-CD1 4.2Å; I248-F262 HydrophobicContact CB-CE1 3.81Å; I248-F262 HydrophobicContact CG2-CD1 4.4Å; I248-F262 HydrophobicContact CG2-CE1 4.49Å; I248-V265 HydrophobicContact CG2-CG2 4.06Å; I248-L267 HydrophobicContact CB-CD1 4.49Å; I248-L267 HydrophobicContact CD1-CD1 3.64Å; I248-L267 HydrophobicContact CG2-CD1 3.99Å; I248-P271 VanDerWaalsContact CD1-CD 3.45Å; I248-P271 HydrophobicContact CD1-CG 3.41Å; I248-P271 VanDerWaalsContact CD1-CG 3.41Å; I248-W275 HydrophobicContact CB-CE3 4.42Å; I248-W275 HydrophobicContact CD1-CB 3.68Å; I248-W275 HydrophobicContact CD1-CD2 3.54Å; I248-W275 HydrophobicContact CD1-CE3 3.85Å; I248-W275 HydrophobicContact CD1-CG 3.46Å; I248-W275 VanDerWaalsContact CD1-CG 3.46Å; I248-W275 HydrophobicContact CG1-CB 4.41Å; I248-W275 HydrophobicContact CG1-CD2 3.98Å; I248-W275 HydrophobicContact CG1-CE3 3.72Å; I248-W275 HydrophobicContact CG1-CG 4.29Å; I248-W275 HydrophobicContact CG1-CZ3 4.26Å; I248-W275 HydrophobicContact CG2-CD2 4.26Å; I248-W275 HydrophobicContact CG2-CE3 3.91Å; I248-W275 HydrophobicContact CG2-CH2 3.69Å; I248-W275 HydrophobicContact CG2-CZ2 4.08Å; I248-W275 HydrophobicContact CG2-CZ3 3.61Å |
| 249 | G | 92.2 | Very high | 87.1 | Confident | 25 Ų | 25 | 78 Ų | 78 | 26% | 0.258 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 140.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E258 | G249-E258 CarbonylContact C-O 3.54Å; G249-E258 WeakPolarHBondContact CA-O 3.36Å |
| 250 | C | 92.1 | Very high | 87.3 | Confident | 15 Ų | 15 | 75.9 Ų | 75.9 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | trans | -82.2 | 120.9 | 172 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | N252 C255 E258 F260 W275 C277 | C250-N252 PolarHBondContact O-N 3.18Å; C250-C255 HydrophobicContact CB-CB 4.22Å; C250-E258 PolarHBondContact N-O 3.05Å; C250-F260 HydrophobicContact CB-CD2 4.43Å; C250-F260 HydrophobicContact CB-CE2 3.93Å; C250-W275 HydrophobicContact CB-CE3 4.43Å; C250-W275 HydrophobicContact CB-CZ3 4.11Å; C250-C277 HydrophobicContact CB-CB 4.23Å; C250-C277 PolarHBondContact SG-N 2.88Å; C250-C277 VanDerWaalsContact SG-N 3.36Å | ||
| 251 | D | 90.1 | Very high | 87.7 | Confident | 58 Ų | 58 | 69.1 Ų | 69.1 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -67.5 | 14.6 | 179.9 | -86.4 | -82.2 | 0 | 0 | 0 | 115.3 | K274 W275 F276 | D251-K274 HydrophobicContact CB-CB 4.18Å; D251-K274 HydrophobicContact CB-CD 4.42Å; D251-K274 HydrophobicContact CB-CG 4.26Å; D251-K274 IonicContact OD1-NZ 3.56Å; D251-K274 PolarHBondContact OD1-NZ 2.97Å; D251-K274 WeakPolarHBondContact OD2-CA 3.35Å; D251-W275 WeakPolarHBondContact CB-O 3.48Å; D251-W275 PolarHBondContact N-O 3.49Å; D251-W275 PolarHBondContact OD2-N 3.47Å; D251-F276 HydrophobicContact CB-CD1 4.05Å; D251-F276 HydrophobicContact CB-CE1 3.63Å; D251-F276 HydrophobicContact CB-CZ 4.06Å; D251-F276 WeakPolarHBondContact O-CE1 3.36Å |
| 252 | N | 84.9 | Confident | 88.3 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 16% | 0.16 | 35% | 0.35 | C | S | . | . | trans | -105.3 | 108.6 | 177.6 | -174.2 | 69.9 | 0 | 0 | 0 | 109.2 | C250 E254 C255 F276 C280 M288 | C250-N252 PolarHBondContact O-N 3.18Å; N252-E254 PolarHBondContact ND2-N 2.92Å; N252-E254 PolarHBondContact O-N 3.01Å; N252-C255 HydrophobicContact CB-CB 4.4Å; N252-C255 PolarHBondContact ND2-N 2.85Å; N252-C255 WeakPolarHBondContact O-CB 3.41Å; N252-C255 PolarHBondContact O-N 3.36Å; N252-F276 HydrophobicContact CB-CD1 3.96Å; N252-F276 HydrophobicContact CB-CE1 4.18Å; N252-C280 HydrophobicContact CB-CB 4.26Å; N252-M288 WeakPolarHBondContact OD1-CE 3.49Å | ||
| 253 | D | 82.4 | Confident | 88.3 | Confident | 141 Ų | 141 | 67.7 Ų | 67.7 | 75% | 0.754 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -12.6 | -177.9 | -60.4 | -16.8 | 0 | 0 | 0 | 113.6 | ||
| 254 | E | 82.4 | Confident | 88.6 | Confident | 172 Ų | 172 | 67.1 Ų | 67.1 | 80% | 0.804 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 13.7 | 175 | -58.3 | 176.7 | 179.7 | 0 | 0 | 113.1 | N252 L256 | N252-E254 PolarHBondContact ND2-N 2.92Å; N252-E254 PolarHBondContact O-N 3.01Å; E254-L256 PolarHBondContact O-N 3.18Å |
| 255 | C | 84.9 | Confident | 88.8 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | trans | -80.5 | 115.4 | 179.6 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | C250 N252 I257 E258 C277 C280 | C250-C255 HydrophobicContact CB-CB 4.22Å; N252-C255 HydrophobicContact CB-CB 4.4Å; N252-C255 PolarHBondContact ND2-N 2.85Å; N252-C255 WeakPolarHBondContact O-CB 3.41Å; N252-C255 PolarHBondContact O-N 3.36Å; C255-I257 PolarHBondContact O-N 2.9Å; C255-I257 VanDerWaalsContact O-N 3.12Å; C255-E258 VanDerWaalsContact O-CG 3.24Å; C255-E258 WeakPolarHBondContact O-CG 3.4Å; C255-E258 PolarHBondContact O-N 3.36Å; C255-C277 VanDerWaalsContact SG-SG 3.67Å; C255-C280 VanDerWaalsContact SG-SG 3.64Å | ||
| 256 | L | 79.5 | Confident | 88.9 | Confident | 177 Ų | 177 | 63.8 Ų | 63.8 | 93% | 0.927 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -62.3 | -20.8 | -177.8 | -63.4 | 176.4 | 0 | 0 | 0 | 115.9 | E254 | E254-L256 PolarHBondContact O-N 3.18Š|
| 257 | I | 84.9 | Confident | 88.6 | Confident | 41 Ų | 41 | 59.5 Ų | 59.5 | 21% | 0.21 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -104.8 | -29.4 | -174.7 | -63.5 | 172 | 0 | 0 | 0 | 111.4 | C237 L238 C255 W259 F260 K279 | C237-I257 VanDerWaalsContact N-CG2 3.31Å; L238-I257 HydrophobicContact CD2-CD1 4.03Å; C255-I257 PolarHBondContact O-N 2.9Å; C255-I257 VanDerWaalsContact O-N 3.12Å; I257-W259 WeakPolarHBondContact CG2-O 3.32Å; I257-W259 PolarHBondContact O-N 2.99Å; I257-F260 HydrophobicContact CB-CE1 4.28Å; I257-F260 HydrophobicContact CB-CE2 4.32Å; I257-F260 HydrophobicContact CB-CZ 3.71Å; I257-F260 HydrophobicContact CD1-CE1 4.33Å; I257-F260 HydrophobicContact CD1-CZ 4.39Å; I257-F260 HydrophobicContact CG2-CE1 3.88Å; I257-F260 HydrophobicContact CG2-CE2 4.15Å; I257-F260 HydrophobicContact CG2-CZ 3.66Å; I257-K279 HydrophobicContact CD1-CD 4.45Å |
| 258 | E | 90 | Very high | 88.2 | Confident | 108 Ų | 108 | 64.7 Ų | 64.7 | 51% | 0.505 | 35% | 0.351 | S | S | . | . | trans | 56.5 | -48 | -175.8 | -57.7 | -174.5 | 175.2 | 0 | 0 | 116.6 | G249 C250 C255 | G249-E258 CarbonylContact C-O 3.54Å; G249-E258 WeakPolarHBondContact CA-O 3.36Å; C250-E258 PolarHBondContact N-O 3.05Å; C255-E258 VanDerWaalsContact O-CG 3.24Å; C255-E258 WeakPolarHBondContact O-CG 3.4Å; C255-E258 PolarHBondContact O-N 3.36Å | ||
| 259 | W | 92.5 | Very high | 88 | Confident | 116 Ų | 116 | 71.3 Ų | 71.3 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.4 | -168.9 | -65.2 | 92.4 | 0 | 0 | 0 | 113.3 | Y236 C237 M247 I248 I257 | Y236-W259 HydrophobicContact CD1-CB 4.06Å; Y236-W259 HydrophobicContact CG-CB 4.35Å; C237-W259 VanDerWaalsContact CA-O 3.23Å; C237-W259 WeakPolarHBondContact CA-O 3.49Å; C237-W259 PolarHBondContact N-O 2.96Å; M247-W259 HydrophobicContact CB-CE3 4.49Å; M247-W259 HydrophobicContact CE-CB 3.97Å; I248-W259 WeakPolarHBondContact O-CA 3.47Å; I257-W259 WeakPolarHBondContact CG2-O 3.32Å; I257-W259 PolarHBondContact O-N 2.99Å |
| 260 | F | 93.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136.7 | -174.5 | -60.2 | -97.6 | 0 | 0 | 0 | 111.5 | C237 L238 M247 I248 C250 I257 V265 W275 C277 | C237-F260 HydrophobicContact CB-CB 4.45Å; C237-F260 HydrophobicContact CB-CD1 4.35Å; C237-F260 VanDerWaalsContact SG-CA 3.52Å; L238-F260 HydrophobicContact CD2-CE1 3.93Å; L238-F260 HydrophobicContact CG-CD1 4.07Å; L238-F260 HydrophobicContact CG-CE1 3.85Å; M247-F260 CarbonylContact C-O 3.58Å; M247-F260 VanDerWaalsContact CA-O 3.24Å; M247-F260 WeakPolarHBondContact CA-O 3.24Å; I248-F260 HydrophobicContact CG2-CB 4.1Å; I248-F260 PolarHBondContact N-O 3.31Å; I248-F260 PolarHBondContact O-N 3.36Å; C250-F260 HydrophobicContact CB-CD2 4.43Å; C250-F260 HydrophobicContact CB-CE2 3.93Å; I257-F260 HydrophobicContact CB-CE1 4.28Å; I257-F260 HydrophobicContact CB-CE2 4.32Å; I257-F260 HydrophobicContact CB-CZ 3.71Å; I257-F260 HydrophobicContact CD1-CE1 4.33Å; I257-F260 HydrophobicContact CD1-CZ 4.39Å; I257-F260 HydrophobicContact CG2-CE1 3.88Å; I257-F260 HydrophobicContact CG2-CE2 4.15Å; I257-F260 HydrophobicContact CG2-CZ 3.66Å; F260-V265 HydrophobicContact CB-CG1 3.81Å; F260-V265 HydrophobicContact CB-CG2 4.38Å; F260-V265 HydrophobicContact CD1-CG1 3.97Å; F260-V265 HydrophobicContact CG-CG1 4.16Å; F260-W275 HydrophobicContact CB-CH2 4.05Å; F260-W275 HydrophobicContact CB-CZ3 4.48Å; F260-W275 AromaticContact CD2-CH2 3.94Å; F260-W275 HydrophobicContact CD2-CH2 3.94Å; F260-W275 AromaticContact CD2-CZ3 3.81Å; F260-W275 HydrophobicContact CD2-CZ3 3.81Å; F260-W275 HydrophobicContact CE2-CZ3 4.47Å; F260-W275 AromaticContact CG-CH2 3.97Å; F260-W275 HydrophobicContact CG-CH2 3.97Å; F260-W275 HydrophobicContact CG-CZ3 4.3Å; F260-C277 HydrophobicContact CD1-CB 4.16Å; F260-C277 HydrophobicContact CD2-CB 3.86Å; F260-C277 HydrophobicContact CE1-CB 3.7Å; F260-C277 HydrophobicContact CE2-CB 3.37Å; F260-C277 HydrophobicContact CG-CB 4.26Å; F260-C277 HydrophobicContact CZ-CB 3.28Å; F260-C277 VanDerWaalsContact CZ-SG 3.51Å |
| 261 | H | 93.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 140.5 | 172.7 | -44.7 | 90.9 | 0 | 0 | 0 | 110.7 | C237 C239 V242 Y244 S263 C264 V265 | C237-H261 WeakPolarHBondContact CB-ND1 3.24Å; C237-H261 PolarHBondContact SG-N 2.81Å; C237-H261 VanDerWaalsContact SG-N 3.35Å; C239-H261 PolarHBondContact SG-CE1 3.36Å; C239-H261 PolarHBondContact SG-ND1 2.98Å; C239-H261 VanDerWaalsContact SG-ND1 3.39Å; V242-H261 PolarHBondContact O-NE2 2.94Å; Y244-H261 AromaticContact CD1-CD2 3.59Å; Y244-H261 AromaticContact CD1-NE2 3.3Å; Y244-H261 VanDerWaalsContact CD1-NE2 3.3Å; Y244-H261 WeakPolarHBondContact CD1-NE2 3.42Å; Y244-H261 AromaticContact CD2-CD2 3.77Å; Y244-H261 AromaticContact CE1-CD2 3.55Å; Y244-H261 AromaticContact CE1-CE1 3.62Å; Y244-H261 AromaticContact CE1-CG 3.99Å; Y244-H261 AromaticContact CE1-NE2 3.29Å; Y244-H261 VanDerWaalsContact CE1-NE2 3.29Å; Y244-H261 WeakPolarHBondContact CE1-NE2 3.34Å; Y244-H261 HydrophobicContact CE2-CB 4.15Å; Y244-H261 AromaticContact CE2-CD2 3.72Å; Y244-H261 AromaticContact CE2-CG 3.96Å; Y244-H261 AromaticContact CG-CD2 3.69Å; Y244-H261 AromaticContact CG-NE2 3.85Å; Y244-H261 AromaticContact CZ-CD2 3.61Å; Y244-H261 AromaticContact CZ-CG 3.71Å; Y244-H261 AromaticContact CZ-NE2 3.82Å; Y244-H261 PolarHBondContact O-CD2 2.92Å; H261-S263 VanDerWaalsContact C-N 3.33Å; H261-S263 PolarHBondContact O-N 2.89Å; H261-C264 HydrophobicContact CB-CB 4.18Å; H261-C264 PolarHBondContact O-N 2.98Å; H261-C264 VanDerWaalsContact O-N 3.12Å; H261-V265 WeakPolarHBondContact O-CG2 3.12Å; H261-V265 PolarHBondContact O-N 3.04Å |
| 262 | F | 92.7 | Very high | 87.1 | Confident | 18 Ų | 18 | 87.2 Ų | 87.2 | 8% | 0.079 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -47.1 | -179.3 | -92.7 | 41 | 0 | 0 | 0 | 112.7 | E246 I248 C264 V265 A266 L267 K270 | E246-F262 HydrophobicContact CB-CB 4.16Å; E246-F262 HydrophobicContact CB-CD1 3.8Å; E246-F262 HydrophobicContact CB-CD2 3.68Å; E246-F262 HydrophobicContact CB-CE1 3.99Å; E246-F262 HydrophobicContact CB-CE2 3.87Å; E246-F262 HydrophobicContact CB-CG 3.64Å; E246-F262 HydrophobicContact CB-CZ 4.03Å; E246-F262 HydrophobicContact CG-CD2 4.49Å; E246-F262 HydrophobicContact CG-CE2 4.49Å; E246-F262 WeakPolarHBondContact O-CB 3.48Å; E246-F262 VanDerWaalsContact O-CD1 3.31Å; E246-F262 WeakPolarHBondContact O-CD1 3.49Å; E246-F262 PolarHBondContact O-N 3.09Å; E246-F262 VanDerWaalsContact OE2-CD2 3.24Å; E246-F262 WeakPolarHBondContact OE2-CD2 3.31Å; E246-F262 WeakPolarHBondContact OE2-CE2 3.4Å; I248-F262 HydrophobicContact CB-CD1 4.2Å; I248-F262 HydrophobicContact CB-CE1 3.81Å; I248-F262 HydrophobicContact CG2-CD1 4.4Å; I248-F262 HydrophobicContact CG2-CE1 4.49Å; F262-C264 PolarHBondContact O-N 3.44Å; F262-V265 CarbonylContact O-C 3.57Å; F262-V265 PolarHBondContact O-N 2.77Å; F262-A266 PolarHBondContact O-N 3.42Å; F262-A266 VanDerWaalsContact O-N 3.12Å; F262-L267 CarbonylContact C-O 3.49Å; F262-L267 HydrophobicContact CB-CB 4.42Å; F262-L267 VanDerWaalsContact CB-O 3.3Å; F262-L267 WeakPolarHBondContact CB-O 3.43Å; F262-L267 HydrophobicContact CD2-CB 4.25Å; F262-L267 HydrophobicContact CG-CB 4.17Å; F262-L267 PolarHBondContact O-N 3.32Å; F262-K270 HydrophobicContact CZ-CB 4.19Å |
| 263 | S | 88.3 | Confident | 87.2 | Confident | 86 Ų | 86 | 89 Ų | 89 | 60% | 0.601 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -61.7 | -42 | 177 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | H261 V265 A266 | H261-S263 VanDerWaalsContact C-N 3.33Å; H261-S263 PolarHBondContact O-N 2.89Å; S263-V265 PolarHBondContact O-N 3.48Å; S263-A266 PolarHBondContact O-N 3.24Å |
| 264 | C | 89.6 | Confident | 87.4 | Confident | 48 Ų | 48 | 87.2 Ų | 87.2 | 32% | 0.324 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -70.3 | -12.4 | -179.6 | -63.1 | 0 | 0 | 0 | 0 | 114.3 | C237 Y244 H261 F262 | C237-C264 WeakPolarHBondContact SG-CB 3.18Å; Y244-C264 PolarHBondContact OH-SG 3.17Å; H261-C264 HydrophobicContact CB-CB 4.18Å; H261-C264 PolarHBondContact O-N 2.98Å; H261-C264 VanDerWaalsContact O-N 3.12Å; F262-C264 PolarHBondContact O-N 3.44Å |
| 265 | V | 89.6 | Confident | 87.8 | Confident | 23 Ų | 23 | 79.6 Ų | 79.6 | 14% | 0.139 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -123.3 | 20.9 | 174.1 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | I248 F260 H261 F262 S263 L267 W275 P278 | I248-V265 HydrophobicContact CG2-CG2 4.06Å; F260-V265 HydrophobicContact CB-CG1 3.81Å; F260-V265 HydrophobicContact CB-CG2 4.38Å; F260-V265 HydrophobicContact CD1-CG1 3.97Å; F260-V265 HydrophobicContact CG-CG1 4.16Å; H261-V265 WeakPolarHBondContact O-CG2 3.12Å; H261-V265 PolarHBondContact O-N 3.04Å; F262-V265 CarbonylContact O-C 3.57Å; F262-V265 PolarHBondContact O-N 2.77Å; S263-V265 PolarHBondContact O-N 3.48Å; V265-L267 VanDerWaalsContact C-N 3.31Å; V265-L267 HydrophobicContact CG2-CD1 3.86Å; V265-L267 HydrophobicContact CG2-CG 4.03Å; V265-L267 PolarHBondContact O-N 2.9Å; V265-W275 HydrophobicContact CB-CH2 4.29Å; V265-W275 HydrophobicContact CB-CZ2 3.89Å; V265-W275 HydrophobicContact CG1-CH2 4.08Å; V265-W275 HydrophobicContact CG1-CZ2 4.15Å; V265-W275 HydrophobicContact CG2-CH2 4.01Å; V265-W275 HydrophobicContact CG2-CZ2 3.66Å; V265-P278 HydrophobicContact CG1-CG 4.42Å |
| 266 | A | 88.1 | Confident | 88 | Confident | 85 Ų | 85 | 81.1 Ų | 81.1 | 70% | 0.702 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F262 S263 | F262-A266 PolarHBondContact O-N 3.42Å; F262-A266 VanDerWaalsContact O-N 3.12Å; S263-A266 PolarHBondContact O-N 3.24Å |
| 267 | L | 85.6 | Confident | 88.4 | Confident | 33 Ų | 33 | 72.7 Ų | 72.7 | 17% | 0.173 | 38% | 0.379 | C | S | . | . | trans | -107.3 | 134.4 | 170.3 | -66.7 | 175.3 | 0 | 0 | 0 | 109.8 | I248 F262 V265 P271 W275 | I248-L267 HydrophobicContact CB-CD1 4.49Å; I248-L267 HydrophobicContact CD1-CD1 3.64Å; I248-L267 HydrophobicContact CG2-CD1 3.99Å; F262-L267 CarbonylContact C-O 3.49Å; F262-L267 HydrophobicContact CB-CB 4.42Å; F262-L267 VanDerWaalsContact CB-O 3.3Å; F262-L267 WeakPolarHBondContact CB-O 3.43Å; F262-L267 HydrophobicContact CD2-CB 4.25Å; F262-L267 HydrophobicContact CG-CB 4.17Å; F262-L267 PolarHBondContact O-N 3.32Å; V265-L267 VanDerWaalsContact C-N 3.31Å; V265-L267 HydrophobicContact CG2-CD1 3.86Å; V265-L267 HydrophobicContact CG2-CG 4.03Å; V265-L267 PolarHBondContact O-N 2.9Å; L267-P271 HydrophobicContact CD1-CG 4.44Å; L267-W275 HydrophobicContact CD1-CZ2 4.35Å | ||
| 268 | H | 84 | Confident | 88.4 | Confident | 155 Ų | 155 | 74.1 Ų | 74.1 | 72% | 0.718 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -105.6 | -14.3 | 170.7 | -65.5 | -78.5 | 0 | 0 | 0 | 113 | ||
| 269 | H | 86.8 | Confident | 88 | Confident | 154 Ų | 154 | 76.2 Ų | 76.2 | 71% | 0.713 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -145.5 | 153.2 | 179.2 | -61.8 | -45.9 | 0 | 0 | 0 | 110.7 | P271 | H269-P271 WeakPolarHBondContact O-CD 3.24Š|
| 270 | K | 88.4 | Confident | 87.6 | Confident | 178 Ų | 178 | 72.1 Ų | 72.1 | 77% | 0.774 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 118.6 | 175.7 | -175.2 | 171.8 | -177.7 | 169.8 | 0 | 110.8 | F262 | F262-K270 HydrophobicContact CZ-CB 4.19Š|
| 271 | P | 86.4 | Confident | 86.9 | Confident | 41 Ų | 41 | 79 Ų | 79 | 27% | 0.266 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 150.9 | 178.4 | 28 | -33.9 | 0 | 0 | 0 | 111.1 | I248 L267 H269 W275 | I248-P271 VanDerWaalsContact CD1-CD 3.45Å; I248-P271 HydrophobicContact CD1-CG 3.41Å; I248-P271 VanDerWaalsContact CD1-CG 3.41Å; L267-P271 HydrophobicContact CD1-CG 4.44Å; H269-P271 WeakPolarHBondContact O-CD 3.24Å; P271-W275 HydrophobicContact CG-CB 3.9Å; P271-W275 HydrophobicContact CG-CG 4.05Å |
| 272 | K | 82.3 | Confident | 85.5 | Confident | 214 Ų | 214 | 81.5 Ų | 81.5 | 93% | 0.93 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -89 | 120.3 | 177 | -65.6 | 179.6 | -178.4 | 175.3 | 0 | 109.7 | ||
| 273 | G | 85.6 | Confident | 83.5 | Confident | 67 Ų | 67 | 87.4 Ų | 87.4 | 69% | 0.691 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 97.9 | -158.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 274 | K | 86.5 | Confident | 81.8 | Confident | 104 Ų | 104 | 87.2 Ų | 87.2 | 45% | 0.452 | 46% | 0.459 | S | S | . | . | trans | -77 | 139.1 | -176.3 | -73 | -174.4 | 156.8 | -81 | 0 | 112 | D251 F276 L292 | D251-K274 HydrophobicContact CB-CB 4.18Å; D251-K274 HydrophobicContact CB-CD 4.42Å; D251-K274 HydrophobicContact CB-CG 4.26Å; D251-K274 IonicContact OD1-NZ 3.56Å; D251-K274 PolarHBondContact OD1-NZ 2.97Å; D251-K274 WeakPolarHBondContact OD2-CA 3.35Å; K274-F276 HydrophobicContact CB-CE2 4.16Å; K274-F276 HydrophobicContact CB-CZ 4.33Å; K274-F276 HydrophobicContact CD-CZ 4.43Å; K274-L292 HydrophobicContact CD-CD2 3.72Å | ||
| 275 | W | 90.7 | Very high | 80.1 | Confident | 12 Ų | 12 | 92.7 Ų | 92.7 | 5% | 0.045 | 48% | 0.48 | C | S | . | . | trans | -125.3 | 144.5 | 175.7 | -177.1 | 92 | 0 | 0 | 0 | 111.6 | I248 C250 D251 F260 V265 L267 P271 C277 | I248-W275 HydrophobicContact CB-CE3 4.42Å; I248-W275 HydrophobicContact CD1-CB 3.68Å; I248-W275 HydrophobicContact CD1-CD2 3.54Å; I248-W275 HydrophobicContact CD1-CE3 3.85Å; I248-W275 HydrophobicContact CD1-CG 3.46Å; I248-W275 VanDerWaalsContact CD1-CG 3.46Å; I248-W275 HydrophobicContact CG1-CB 4.41Å; I248-W275 HydrophobicContact CG1-CD2 3.98Å; I248-W275 HydrophobicContact CG1-CE3 3.72Å; I248-W275 HydrophobicContact CG1-CG 4.29Å; I248-W275 HydrophobicContact CG1-CZ3 4.26Å; I248-W275 HydrophobicContact CG2-CD2 4.26Å; I248-W275 HydrophobicContact CG2-CE3 3.91Å; I248-W275 HydrophobicContact CG2-CH2 3.69Å; I248-W275 HydrophobicContact CG2-CZ2 4.08Å; I248-W275 HydrophobicContact CG2-CZ3 3.61Å; C250-W275 HydrophobicContact CB-CE3 4.43Å; C250-W275 HydrophobicContact CB-CZ3 4.11Å; D251-W275 WeakPolarHBondContact CB-O 3.48Å; D251-W275 PolarHBondContact N-O 3.49Å; D251-W275 PolarHBondContact OD2-N 3.47Å; F260-W275 HydrophobicContact CB-CH2 4.05Å; F260-W275 HydrophobicContact CB-CZ3 4.48Å; F260-W275 AromaticContact CD2-CH2 3.94Å; F260-W275 HydrophobicContact CD2-CH2 3.94Å; F260-W275 AromaticContact CD2-CZ3 3.81Å; F260-W275 HydrophobicContact CD2-CZ3 3.81Å; F260-W275 HydrophobicContact CE2-CZ3 4.47Å; F260-W275 AromaticContact CG-CH2 3.97Å; F260-W275 HydrophobicContact CG-CH2 3.97Å; F260-W275 HydrophobicContact CG-CZ3 4.3Å; V265-W275 HydrophobicContact CB-CH2 4.29Å; V265-W275 HydrophobicContact CB-CZ2 3.89Å; V265-W275 HydrophobicContact CG1-CH2 4.08Å; V265-W275 HydrophobicContact CG1-CZ2 4.15Å; V265-W275 HydrophobicContact CG2-CH2 4.01Å; V265-W275 HydrophobicContact CG2-CZ2 3.66Å; L267-W275 HydrophobicContact CD1-CZ2 4.35Å; P271-W275 HydrophobicContact CG-CB 3.9Å; P271-W275 HydrophobicContact CG-CG 4.05Å; W275-C277 VanDerWaalsContact CH2-CA 3.43Å; W275-C277 HydrophobicContact CH2-CB 3.67Å; W275-C277 HydrophobicContact CZ3-CB 3.88Å | ||
| 276 | F | 89.6 | Confident | 78.4 | Confident | 42 Ų | 42 | 100.5 Ų | 100.5 | 18% | 0.184 | 51% | 0.512 | C | S | . | . | trans | -132.7 | 140 | -177 | -60.2 | -75.5 | 0 | 0 | 0 | 108.2 | D251 N252 K274 C280 R281 | D251-F276 HydrophobicContact CB-CD1 4.05Å; D251-F276 HydrophobicContact CB-CE1 3.63Å; D251-F276 HydrophobicContact CB-CZ 4.06Å; D251-F276 WeakPolarHBondContact O-CE1 3.36Å; N252-F276 HydrophobicContact CB-CD1 3.96Å; N252-F276 HydrophobicContact CB-CE1 4.18Å; K274-F276 HydrophobicContact CB-CE2 4.16Å; K274-F276 HydrophobicContact CB-CZ 4.33Å; K274-F276 HydrophobicContact CD-CZ 4.43Å; F276-C280 HydrophobicContact CB-CB 4.39Å; F276-R281 HydrophobicContact CB-CG 3.66Å; F276-R281 WeakPolarHBondContact O-CD 3.35Å; F276-R281 WeakPolarHBondContact O-CG 3.5Å; F276-R281 PolarHBondContact O-NE 3.08Å | ||
| 277 | C | 88.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 100.6 Ų | 100.6 | 0% | 0 | 50% | 0.504 | C | S | . | . | trans | -72.2 | 164.4 | -178.2 | 74.8 | 0 | 0 | 0 | 0 | 112.3 | C250 C255 F260 W275 K279 C280 R281 | C250-C277 HydrophobicContact CB-CB 4.23Å; C250-C277 PolarHBondContact SG-N 2.88Å; C250-C277 VanDerWaalsContact SG-N 3.36Å; C255-C277 VanDerWaalsContact SG-SG 3.67Å; F260-C277 HydrophobicContact CD1-CB 4.16Å; F260-C277 HydrophobicContact CD2-CB 3.86Å; F260-C277 HydrophobicContact CE1-CB 3.7Å; F260-C277 HydrophobicContact CE2-CB 3.37Å; F260-C277 HydrophobicContact CG-CB 4.26Å; F260-C277 HydrophobicContact CZ-CB 3.28Å; F260-C277 VanDerWaalsContact CZ-SG 3.51Å; W275-C277 VanDerWaalsContact CH2-CA 3.43Å; W275-C277 HydrophobicContact CH2-CB 3.67Å; W275-C277 HydrophobicContact CZ3-CB 3.88Å; C277-K279 PolarHBondContact O-N 2.86Å; C277-K279 VanDerWaalsContact O-N 3.16Å; C277-C280 CarbonylContact O-C 3.55Å; C277-C280 PolarHBondContact O-N 3.09Å; C277-C280 PolarHBondContact SG-N 2.95Å; C277-C280 VanDerWaalsContact SG-N 3.44Å; C277-C280 VanDerWaalsContact SG-SG 3.63Å; C277-R281 WeakPolarHBondContact O-CB 3.47Å; C277-R281 WeakPolarHBondContact O-CG 3.42Å; C277-R281 PolarHBondContact O-N 3.14Å | ||
| 278 | P | 84.7 | Confident | 75.2 | Confident | 72 Ų | 72 | 102.6 Ų | 102.6 | 47% | 0.468 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -37.1 | 180 | -28.3 | 36.3 | 0 | 0 | 0 | 114 | L238 V265 R281 | L238-P278 HydrophobicContact CD1-CG 4.27Å; V265-P278 HydrophobicContact CG1-CG 4.42Å; P278-R281 PolarHBondContact O-N 2.82Å |
| 279 | K | 80.9 | Confident | 74 | Confident | 151 Ų | 151 | 100.8 Ų | 100.8 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -37.9 | 176 | -69.3 | -179.4 | 173.9 | 172.8 | 0 | 112.7 | L238 I257 C277 | L238-K279 HydrophobicContact CD2-CD 3.82Å; L238-K279 HydrophobicContact CD2-CG 4.25Å; I257-K279 HydrophobicContact CD1-CD 4.45Å; C277-K279 PolarHBondContact O-N 2.86Å; C277-K279 VanDerWaalsContact O-N 3.16Å |
| 280 | C | 84.1 | Confident | 72.7 | Confident | 30 Ų | 30 | 101.7 Ų | 101.7 | 20% | 0.203 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -12.6 | 177.7 | -67.1 | 0 | 0 | 0 | 0 | 114.1 | N252 C255 F276 C277 | N252-C280 HydrophobicContact CB-CB 4.26Å; C255-C280 VanDerWaalsContact SG-SG 3.64Å; F276-C280 HydrophobicContact CB-CB 4.39Å; C277-C280 CarbonylContact O-C 3.55Å; C277-C280 PolarHBondContact O-N 3.09Å; C277-C280 PolarHBondContact SG-N 2.95Å; C277-C280 VanDerWaalsContact SG-N 3.44Å; C277-C280 VanDerWaalsContact SG-SG 3.63Å |
| 281 | R | 79.9 | Confident | 71.4 | Confident | 146 Ų | 146 | 95.9 Ų | 95.9 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -3.9 | 179.4 | -80.8 | -174.1 | 169 | -169.3 | -3.3 | 115.4 | F276 C277 P278 | F276-R281 HydrophobicContact CB-CG 3.66Å; F276-R281 WeakPolarHBondContact O-CD 3.35Å; F276-R281 WeakPolarHBondContact O-CG 3.5Å; F276-R281 PolarHBondContact O-NE 3.08Å; C277-R281 WeakPolarHBondContact O-CB 3.47Å; C277-R281 WeakPolarHBondContact O-CG 3.42Å; C277-R281 PolarHBondContact O-N 3.14Å; P278-R281 PolarHBondContact O-N 2.82Å |
| 282 | G | 64.1 | Low | 70.3 | Confident | 53 Ų | 53 | 96.1 Ų | 96.1 | 55% | 0.546 | 50% | 0.495 | S | S | . | . | trans | -50.8 | 136.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N284 | G282-N284 PolarHBondContact O-N 3.05Š| ||
| 283 | E | 49.1 | Very low | 69.7 | Low | 141 Ų | 141 | 91 Ų | 91 | 66% | 0.659 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 19 | -18 | 178 | -72 | -166.2 | 109.3 | 0 | 0 | 123.9 | K180 | K180-E283 WeakPolarHBondContact CE-OE2 3.43Å; K180-E283 IonicContact NZ-OE2 3.95Å; K180-E283 PolarHBondContact NZ-OE2 2.81Å |
| 284 | N | 53.1 | Low | 69 | Low | 83 Ų | 83 | 96.9 Ų | 96.9 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | trans | -123.5 | 58 | -171.1 | -63.3 | -27.2 | 0 | 0 | 0 | 111.7 | G282 K286 T287 | G282-N284 PolarHBondContact O-N 3.05Å; N284-K286 PolarHBondContact O-N 3.48Å; N284-T287 PolarHBondContact O-N 3.37Å; N284-T287 PolarHBondContact O-OG1 2.82Å | ||
| 285 | E | 55.2 | Low | 68.2 | Low | 162 Ų | 162 | 94.1 Ų | 94.1 | 76% | 0.757 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.3 | -31.7 | 177 | -174.9 | 177.5 | -134.5 | 0 | 0 | 114.5 | T287 | E285-T287 VanDerWaalsContact C-N 3.35Å; E285-T287 PolarHBondContact O-N 3.45Å |
| 286 | K | 52.5 | Low | 67.5 | Low | 187 Ų | 187 | 98.8 Ų | 98.8 | 81% | 0.813 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.8 | -170.9 | -58.8 | -177.9 | -178.4 | 179.3 | 0 | 115.4 | N284 | N284-K286 PolarHBondContact O-N 3.48Š|
| 287 | T | 52.3 | Low | 66.8 | Low | 88 Ų | 88 | 104.6 Ų | 104.6 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -30 | -177.8 | -10.5 | 0 | 0 | 0 | 0 | 112.8 | N284 E285 K290 | N284-T287 PolarHBondContact O-N 3.37Å; N284-T287 PolarHBondContact O-OG1 2.82Å; E285-T287 VanDerWaalsContact C-N 3.35Å; E285-T287 PolarHBondContact O-N 3.45Å; T287-K290 PolarHBondContact O-N 3.02Å |
| 288 | M | 55.3 | Low | 66.1 | Low | 75 Ų | 75 | 110.2 Ų | 110.2 | 37% | 0.369 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.5 | -39 | -168.1 | -63.4 | -57.4 | -76.4 | 0 | 0 | 113.7 | N252 K290 A291 L292 | N252-M288 WeakPolarHBondContact OD1-CE 3.49Å; M288-K290 PolarHBondContact O-N 3.49Å; M288-K290 VanDerWaalsContact O-N 3.14Å; M288-A291 PolarHBondContact O-N 3.45Å; M288-A291 VanDerWaalsContact O-N 3.09Å; M288-L292 WeakPolarHBondContact O-CB 3.16Å; M288-L292 PolarHBondContact O-N 2.91Å |
| 289 | D | 58.6 | Low | 65.6 | Low | 116 Ų | 116 | 115.7 Ų | 115.7 | 62% | 0.62 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -54.4 | -36.2 | 174.5 | -73.4 | -32.8 | 0 | 0 | 0 | 112.1 | L292 E293 | D289-L292 PolarHBondContact O-N 3.26Å; D289-E293 WeakPolarHBondContact O-CB 3.34Å; D289-E293 WeakPolarHBondContact O-CG 3.42Å; D289-E293 PolarHBondContact O-N 2.93Å |
| 290 | K | 59.1 | Low | 65.3 | Low | 174 Ų | 174 | 112 Ų | 112 | 76% | 0.757 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -74.8 | -29.9 | -177.4 | -146.4 | 172.7 | -172 | 177.3 | 0 | 112.8 | T287 M288 R294 | T287-K290 PolarHBondContact O-N 3.02Å; M288-K290 PolarHBondContact O-N 3.49Å; M288-K290 VanDerWaalsContact O-N 3.14Å; K290-R294 WeakPolarHBondContact O-CB 3.41Å; K290-R294 PolarHBondContact O-N 3Å |
| 291 | A | 61.8 | Low | 64.9 | Low | 56 Ų | 56 | 120 Ų | 120 | 46% | 0.463 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.3 | -43.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | M288 E293 R294 A295 | M288-A291 PolarHBondContact O-N 3.45Å; M288-A291 VanDerWaalsContact O-N 3.09Å; A291-E293 PolarHBondContact O-N 3.49Å; A291-R294 WeakPolarHBondContact O-CB 3.38Å; A291-R294 PolarHBondContact O-N 3.16Å; A291-R294 VanDerWaalsContact O-N 3.16Å; A291-A295 PolarHBondContact O-N 3.49Å |
| 292 | L | 62.6 | Low | 64.2 | Low | 46 Ų | 46 | 119.2 Ų | 119.2 | 24% | 0.241 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -62.4 | -43.8 | 179.3 | -155.5 | 81.1 | 0 | 0 | 0 | 112.2 | K274 M288 D289 A295 K296 | K274-L292 HydrophobicContact CD-CD2 3.72Å; M288-L292 WeakPolarHBondContact O-CB 3.16Å; M288-L292 PolarHBondContact O-N 2.91Å; D289-L292 PolarHBondContact O-N 3.26Å; L292-A295 PolarHBondContact O-N 2.95Å; L292-K296 WeakPolarHBondContact O-CG 3.46Å; L292-K296 PolarHBondContact O-N 3.44Å |
| 293 | E | 69 | Low | 63.9 | Low | 105 Ų | 105 | 130.1 Ų | 130.1 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.1 | -32 | 174 | -72.7 | -55.7 | 126 | 0 | 0 | 112.7 | D289 A291 K296 K297 | D289-E293 WeakPolarHBondContact O-CB 3.34Å; D289-E293 WeakPolarHBondContact O-CG 3.42Å; D289-E293 PolarHBondContact O-N 2.93Å; A291-E293 PolarHBondContact O-N 3.49Å; E293-K296 WeakPolarHBondContact OE1-CD 3.46Å; E293-K296 WeakPolarHBondContact OE1-CE 3.41Å; E293-K296 IonicContact OE1-NZ 2.87Å; E293-K296 PolarHBondContact OE1-NZ 3.43Å; E293-K297 VanDerWaalsContact O-CB 3.24Å; E293-K297 WeakPolarHBondContact O-CB 3.39Å; E293-K297 PolarHBondContact O-N 3.09Å |
| 294 | R | 70.7 | Confident | 64.6 | Low | 191 Ų | 191 | 129.6 Ų | 129.6 | 72% | 0.721 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.6 | -46.5 | 173.4 | -172.2 | 176.1 | -176.5 | 167.8 | 0.9 | 111.2 | K290 A291 K297 E298 | K290-R294 WeakPolarHBondContact O-CB 3.41Å; K290-R294 PolarHBondContact O-N 3Å; A291-R294 WeakPolarHBondContact O-CB 3.38Å; A291-R294 PolarHBondContact O-N 3.16Å; A291-R294 VanDerWaalsContact O-N 3.16Å; R294-K297 PolarHBondContact O-N 2.65Å; R294-E298 WeakPolarHBondContact O-CB 3.24Å; R294-E298 PolarHBondContact O-N 3.43Å |
| 295 | A | 69.9 | Low | 65.3 | Low | 47 Ų | 47 | 132.1 Ų | 132.1 | 39% | 0.388 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.6 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A291 L292 E298 R299 | A291-A295 PolarHBondContact O-N 3.49Å; L292-A295 PolarHBondContact O-N 2.95Å; A295-E298 PolarHBondContact O-N 3.21Å; A295-R299 PolarHBondContact O-N 2.91Å |
| 296 | K | 76.3 | Confident | 65.8 | Low | 109 Ų | 109 | 130.4 Ų | 130.4 | 47% | 0.474 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.8 | -46.9 | 170.4 | -74.6 | 177 | -168.9 | 169.6 | 0 | 111.7 | L292 E293 E298 R299 A300 | L292-K296 WeakPolarHBondContact O-CG 3.46Å; L292-K296 PolarHBondContact O-N 3.44Å; E293-K296 WeakPolarHBondContact OE1-CD 3.46Å; E293-K296 WeakPolarHBondContact OE1-CE 3.41Å; E293-K296 IonicContact OE1-NZ 2.87Å; E293-K296 PolarHBondContact OE1-NZ 3.43Å; K296-E298 VanDerWaalsContact C-N 3.3Å; K296-E298 PolarHBondContact O-N 3.09Å; K296-R299 PolarHBondContact O-N 3.29Å; K296-A300 VanDerWaalsContact O-CB 3.3Å; K296-A300 WeakPolarHBondContact O-CB 3.3Å; K296-A300 PolarHBondContact O-N 2.92Å |
| 297 | K | 75.5 | Confident | 66.6 | Low | 165 Ų | 165 | 127.1 Ų | 127.1 | 72% | 0.717 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.6 | -34.5 | -179.2 | -172.5 | 171.6 | -177.7 | 176.4 | 0 | 112.3 | E293 R294 A300 Y301 | E293-K297 VanDerWaalsContact O-CB 3.24Å; E293-K297 WeakPolarHBondContact O-CB 3.39Å; E293-K297 PolarHBondContact O-N 3.09Å; R294-K297 PolarHBondContact O-N 2.65Å; K297-A300 PolarHBondContact O-N 3.47Å; K297-Y301 WeakPolarHBondContact O-CB 3.4Å; K297-Y301 PolarHBondContact O-N 3.06Å |
| 298 | E | 73.6 | Confident | 67.5 | Low | 117 Ų | 117 | 129.5 Ų | 129.5 | 55% | 0.547 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.7 | -45.6 | 175.6 | -171.8 | 164.4 | -166.7 | 0 | 0 | 112.1 | R294 A295 K296 A300 Y301 N302 | R294-E298 WeakPolarHBondContact O-CB 3.24Å; R294-E298 PolarHBondContact O-N 3.43Å; A295-E298 PolarHBondContact O-N 3.21Å; K296-E298 VanDerWaalsContact C-N 3.3Å; K296-E298 PolarHBondContact O-N 3.09Å; E298-A300 PolarHBondContact O-N 3.4Å; E298-Y301 PolarHBondContact O-N 3.08Å; E298-Y301 VanDerWaalsContact O-N 3.08Å; E298-N302 PolarHBondContact O-N 3.05Å; E298-N302 VanDerWaalsContact O-N 3.09Å |
| 299 | R | 74.4 | Confident | 68.3 | Low | 188 Ų | 188 | 133.1 Ų | 133.1 | 71% | 0.709 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.2 | -27.7 | 171.1 | -74.7 | -175.3 | -178.4 | 159.9 | 6.6 | 113.3 | A295 K296 | A295-R299 PolarHBondContact O-N 2.91Å; K296-R299 PolarHBondContact O-N 3.29Å |
| 300 | A | 73.6 | Confident | 69 | Low | 74 Ų | 74 | 134.4 Ų | 134.4 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -13.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | K296 K297 E298 | K296-A300 VanDerWaalsContact O-CB 3.3Å; K296-A300 WeakPolarHBondContact O-CB 3.3Å; K296-A300 PolarHBondContact O-N 2.92Å; K297-A300 PolarHBondContact O-N 3.47Å; E298-A300 PolarHBondContact O-N 3.4Å |
| 301 | Y | 76.5 | Confident | 69.8 | Low | 198 Ų | 198 | 131.3 Ų | 131.3 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -29.9 | 176.2 | -176.6 | -102.8 | 0 | 0 | 0 | 112.2 | K297 E298 R303 | K297-Y301 WeakPolarHBondContact O-CB 3.4Å; K297-Y301 PolarHBondContact O-N 3.06Å; E298-Y301 PolarHBondContact O-N 3.08Å; E298-Y301 VanDerWaalsContact O-N 3.08Å; Y301-R303 VanDerWaalsContact C-N 3.28Å; Y301-R303 PolarHBondContact O-N 3.38Å |
| 302 | N | 65.8 | Low | 70.4 | Confident | 128 Ų | 128 | 137.6 Ų | 137.6 | 68% | 0.684 | 62% | 0.619 | S | S | * | * | trans | -89.1 | 27 | 177.1 | -71.6 | -2.9 | 0 | 0 | 0 | 113.5 | E298 | E298-N302 PolarHBondContact O-N 3.05Å; E298-N302 VanDerWaalsContact O-N 3.09Å | ||
| 303 | R | 57.2 | Low | 71.1 | Confident | 283 Ų | 283 | 145.9 Ų | 145.9 | 100% | 1.068 | 65% | 0.653 | S | S | * | * | trans | -140.1 | 0 | -177 | -162.8 | -173.8 | -137.7 | -138.6 | 6 | 111.9 | Y301 | Y301-R303 VanDerWaalsContact C-N 3.28Å; Y301-R303 PolarHBondContact O-N 3.38Å |
Retrieved 303 of 303 residues in 773.6 ms
(Link to these results)