| 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 | 42.1 | Very low | 53.3 | Low | 235 Ų | 235 | 159.9 Ų | 159.9 | 100% | 1.158 | 83% | 0.834 | S | S | * | * | 0 | 92.2 | 0 | -85.2 | -155.6 | -112.3 | 0 | 0 | 109 | |||||
| 2 | F | 46.7 | Very low | 53.4 | Low | 210 Ų | 210 | 154.5 Ų | 154.5 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -122.9 | 89.4 | 169.7 | -81.9 | -79.9 | 0 | 0 | 0 | 107.4 | V4 | F2-V4 PolarHBondContact O-N 3.28Š| ||
| 3 | G | 50.7 | Low | 53.3 | Low | 75 Ų | 75 | 150.5 Ų | 150.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -65.3 | 122.3 | 174 | 0 | 0 | 0 | 0 | 0 | 109.3 | L5 | G3-L5 PolarHBondContact O-N 3.09Š| ||
| 4 | V | 58 | Low | 53.2 | Low | 129 Ų | 129 | 148.4 Ų | 148.4 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | trans | -67.5 | 98.1 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | F2 V6 | F2-V4 PolarHBondContact O-N 3.28Å; V4-V6 HydrophobicContact CG1-CG2 4.33Å; V4-V6 PolarHBondContact O-N 3.44Å | ||
| 5 | L | 54.1 | Low | 53.2 | Low | 151 Ų | 151 | 146.7 Ų | 146.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -67.5 | 94.6 | 168.7 | -172.7 | 76.2 | 0 | 0 | 0 | 107.9 | G3 R7 | G3-L5 PolarHBondContact O-N 3.09Å; L5-R7 PolarHBondContact O-N 3.41Å | ||
| 6 | V | 60.5 | Low | 53.1 | Low | 114 Ų | 114 | 145.8 Ų | 145.8 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -63.4 | 102.1 | 174.5 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | V4 R8 | V4-V6 HydrophobicContact CG1-CG2 4.33Å; V4-V6 PolarHBondContact O-N 3.44Å; V6-R8 PolarHBondContact O-N 3.19Å | ||
| 7 | R | 59.6 | Low | 53.4 | Low | 206 Ų | 206 | 141.8 Ų | 141.8 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -62.7 | 107.6 | 171 | -72.1 | -178.7 | 175.9 | 178.4 | -1.6 | 108 | L5 L9 | L5-R7 PolarHBondContact O-N 3.41Å; R7-L9 PolarHBondContact O-N 3.17Å | ||
| 8 | R | 55.3 | Low | 53.9 | Low | 247 Ų | 247 | 140.8 Ų | 140.8 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 81.1 | 163.6 | -63.9 | -166 | -178.3 | -119.1 | 2.1 | 107.9 | V6 | V6-R8 PolarHBondContact O-N 3.19Š| ||
| 9 | L | 51.1 | Low | 55 | Low | 152 Ų | 152 | 137.7 Ų | 137.7 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -70.2 | 148.8 | 162.9 | -77.9 | 163.5 | 0 | 0 | 0 | 108.3 | R7 | R7-L9 PolarHBondContact O-N 3.17Š| ||
| 10 | S | 57.8 | Low | 55.9 | Low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | 92.6 | 88.1 | 174.1 | -150.7 | 0 | 0 | 0 | 0 | 114.6 | S12 | S10-S12 PolarHBondContact O-N 2.99Š| ||
| 11 | T | 50.8 | Low | 57 | Low | 141 Ų | 141 | 133.8 Ų | 133.8 | 87% | 0.865 | 73% | 0.731 | S | S | * | * | trans | -40.1 | 71.6 | 137.7 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | T13 | T11-T13 VanDerWaalsContact C-N 3.29Å; T11-T13 PolarHBondContact O-N 3.34Å | ||
| 12 | S | 53.7 | Low | 58.7 | Low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | trans | -76.5 | 96.1 | 151.4 | 55.1 | 0 | 0 | 0 | 0 | 105.2 | S10 | S10-S12 PolarHBondContact O-N 2.99Š| ||
| 13 | T | 52.1 | Low | 60.3 | Low | 103 Ų | 103 | 119.3 Ų | 119.3 | 63% | 0.632 | 67% | 0.674 | S | S | * | * | trans | -48.4 | 129.1 | 148.1 | 44 | 0 | 0 | 0 | 0 | 105.1 | T11 V15 | T11-T13 VanDerWaalsContact C-N 3.29Å; T11-T13 PolarHBondContact O-N 3.34Å; T13-V15 WeakPolarHBondContact O-CG2 3.49Å; T13-V15 PolarHBondContact O-N 3.28Å | ||
| 14 | P | 52.7 | Low | 61.8 | Low | 121 Ų | 121 | 122.8 Ų | 122.8 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | trans | -60.5 | 98.8 | 171.8 | 25.4 | -30.9 | 0 | 0 | 0 | 104.7 | L16 | P14-L16 PolarHBondContact O-N 3.33Š| ||
| 15 | V | 52.4 | Low | 63 | Low | 123 Ų | 123 | 117.5 Ų | 117.5 | 75% | 0.745 | 64% | 0.639 | S | S | * | * | trans | -63.8 | 94.4 | -174.7 | 173.6 | 0 | 0 | 0 | 0 | 105.4 | T13 A17 | T13-V15 WeakPolarHBondContact O-CG2 3.49Å; T13-V15 PolarHBondContact O-N 3.28Å; V15-A17 WeakPolarHBondContact O-CA 3.45Å; V15-A17 PolarHBondContact O-N 2.9Å | ||
| 16 | L | 51.4 | Low | 64.5 | Low | 131 Ų | 131 | 117.8 Ų | 117.8 | 69% | 0.686 | 63% | 0.634 | S | S | * | * | trans | 25.8 | 60.7 | 167.7 | -149.5 | 80.3 | 0 | 0 | 0 | 112.8 | P14 L18 K42 | P14-L16 PolarHBondContact O-N 3.33Å; L16-L18 PolarHBondContact O-N 3.49Å; L16-K42 HydrophobicContact CD2-CD 4.43Å; L16-K42 VanDerWaalsContact CD2-NZ 3.34Å; L16-K42 PolarHBondContact O-NZ 2.83Å; L16-K42 VanDerWaalsContact O-NZ 3.17Å | ||
| 17 | A | 58.5 | Low | 65.9 | Low | 79 Ų | 79 | 114.5 Ų | 114.5 | 65% | 0.653 | 62% | 0.622 | S | S | * | * | trans | -43.5 | 126.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V15 I19 | V15-A17 WeakPolarHBondContact O-CA 3.45Å; V15-A17 PolarHBondContact O-N 2.9Å; A17-I19 PolarHBondContact O-N 3.4Å | ||
| 18 | L | 62.7 | Low | 67.2 | Low | 124 Ų | 124 | 107.6 Ų | 107.6 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 119.1 | 174.2 | -67.7 | 171.8 | 0 | 0 | 0 | 106.9 | L16 Q20 | L16-L18 PolarHBondContact O-N 3.49Å; L18-Q20 PolarHBondContact O-N 3.24Å; L18-Q20 VanDerWaalsContact O-N 3.1Å |
| 19 | I | 74.6 | Confident | 68.8 | Low | 82 Ų | 82 | 97.5 Ų | 97.5 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 119.7 | 174.6 | -173.7 | 74.1 | 0 | 0 | 0 | 106.4 | A17 S38 T41 | A17-I19 PolarHBondContact O-N 3.4Å; I19-S38 VanDerWaalsContact CG2-CA 3.48Å; I19-S38 PolarHBondContact N-OG 2.87Å; I19-T41 HydrophobicContact CG1-CG2 4.45Å; I19-T41 HydrophobicContact CG2-CG2 4.12Å |
| 20 | Q | 73.9 | Confident | 70.7 | Confident | 169 Ų | 169 | 90.3 Ų | 90.3 | 79% | 0.79 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 135.5 | -174.7 | -67.6 | -173.9 | -18.7 | 0 | 0 | 109.1 | L18 | L18-Q20 PolarHBondContact O-N 3.24Å; L18-Q20 VanDerWaalsContact O-N 3.1Å |
| 21 | P | 78.3 | Confident | 72.2 | Confident | 24 Ų | 24 | 94.4 Ų | 94.4 | 16% | 0.156 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 153 | 174 | 28.8 | -34.7 | 0 | 0 | 0 | 110.7 | V23 Y37 I123 | P21-V23 WeakPolarHBondContact CG-O 3.18Å; P21-V23 PolarHBondContact O-N 3.26Å; P21-Y37 HydrophobicContact CB-CD1 3.99Å; P21-Y37 HydrophobicContact CB-CE1 4.27Å; P21-I123 HydrophobicContact CB-CD1 4.2Å; P21-I123 HydrophobicContact CB-CG1 4.26Å; P21-I123 HydrophobicContact CB-CG2 3.81Å |
| 22 | P | 77.5 | Confident | 74.1 | Confident | 72 Ų | 72 | 89 Ų | 89 | 47% | 0.468 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -62.4 | -27.4 | 178.7 | 25 | -35.3 | 0 | 0 | 0 | 113.2 | A126 | P22-A126 HydrophobicContact CB-CB 4.37Å; P22-A126 HydrophobicContact CG-CB 3.91Å |
| 23 | V | 81.5 | Confident | 75.9 | Confident | 68 Ų | 68 | 84.5 Ų | 84.5 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -121.5 | 133.7 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 109.5 | P21 V25 A126 | P21-V23 WeakPolarHBondContact CG-O 3.18Å; P21-V23 PolarHBondContact O-N 3.26Å; V23-V25 PolarHBondContact O-N 3.41Å; V23-A126 HydrophobicContact CB-CB 4.06Å; V23-A126 HydrophobicContact CG2-CB 3.37Å |
| 24 | Q | 81.2 | Confident | 77.7 | Confident | 149 Ų | 149 | 80.9 Ų | 80.9 | 70% | 0.696 | 44% | 0.438 | S | S | * | . | trans | -76.3 | 108.1 | 177 | -62.2 | -179.4 | 28.5 | 0 | 0 | 109.4 | F26 | Q24-F26 HydrophobicContact CB-CE1 4.46Å; Q24-F26 HydrophobicContact CB-CZ 4.15Å | ||
| 25 | V | 83.1 | Confident | 79.5 | Confident | 18 Ų | 18 | 77.5 Ų | 77.5 | 11% | 0.109 | 42% | 0.42 | C | S | . | . | trans | -94.3 | 125.8 | 171.2 | -71.3 | 0 | 0 | 0 | 0 | 109.9 | V23 G30 S34 K119 I123 | V23-V25 PolarHBondContact O-N 3.41Å; V25-G30 VanDerWaalsContact CG2-CA 3.43Å; V25-G30 WeakPolarHBondContact CG2-O 3.4Å; V25-S34 WeakPolarHBondContact CG2-OG 3.48Å; V25-K119 HydrophobicContact CB-CD 4.49Å; V25-K119 HydrophobicContact CG1-CB 4.43Å; V25-K119 HydrophobicContact CG1-CD 4.24Å; V25-I123 HydrophobicContact CG1-CD1 4.47Å; V25-I123 HydrophobicContact CG1-CG1 3.99Å; V25-I123 HydrophobicContact CG2-CD1 3.72Å; V25-I123 HydrophobicContact CG2-CG1 4.11Å | ||
| 26 | F | 87 | Confident | 81.3 | Confident | 157 Ų | 157 | 72 Ų | 72 | 69% | 0.689 | 39% | 0.387 | S | S | * | . | trans | -91.3 | 166.5 | -179.1 | -55.5 | -73.1 | 0 | 0 | 0 | 112.1 | Q24 | Q24-F26 HydrophobicContact CB-CE1 4.46Å; Q24-F26 HydrophobicContact CB-CZ 4.15Å | ||
| 27 | G | 89.1 | Confident | 83.2 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | 91.1 | 179.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E29 G30 R31 | G27-E29 VanDerWaalsContact C-N 3.28Å; G27-G30 PolarHBondContact O-N 3.42Å; G27-R31 WeakPolarHBondContact O-CG 3.31Å; G27-R31 PolarHBondContact O-N 3.02Å |
| 28 | L | 86.9 | Confident | 84.6 | Confident | 62 Ų | 62 | 62.7 Ų | 62.7 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 176.3 | -69.2 | 171.4 | 0 | 0 | 0 | 110.2 | R31 Y32 | L28-R31 PolarHBondContact O-N 3.48Å; L28-Y32 WeakPolarHBondContact O-CD2 3.45Å; L28-Y32 PolarHBondContact O-N 3.24Å |
| 29 | E | 89.4 | Confident | 85.9 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 16% | 0.159 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 179.2 | -52.2 | 78.3 | -167.3 | 0 | 0 | 110.6 | G27 R31 Y32 A33 K112 V116 K119 | G27-E29 VanDerWaalsContact C-N 3.28Å; E29-R31 VanDerWaalsContact C-N 3.33Å; E29-R31 PolarHBondContact O-N 3.2Å; E29-Y32 PolarHBondContact O-N 3.34Å; E29-A33 WeakPolarHBondContact O-CB 3.2Å; E29-A33 PolarHBondContact O-N 3.12Å; E29-K112 HydrophobicContact CG-CB 4.34Å; E29-K112 VanDerWaalsContact OE1-CD 3.29Å; E29-K112 WeakPolarHBondContact OE1-CD 3.35Å; E29-K112 WeakPolarHBondContact OE1-CE 3.26Å; E29-K112 IonicContact OE1-NZ 2.65Å; E29-K112 PolarHBondContact OE1-NZ 3.35Å; E29-V116 HydrophobicContact CB-CG2 3.96Å; E29-V116 HydrophobicContact CG-CG2 4.22Å; E29-K119 HydrophobicContact CB-CG 4.18Å |
| 30 | G | 89.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V25 G27 A33 S34 | V25-G30 VanDerWaalsContact CG2-CA 3.43Å; V25-G30 WeakPolarHBondContact CG2-O 3.4Å; G27-G30 PolarHBondContact O-N 3.42Å; G30-A33 PolarHBondContact O-N 3Å; G30-S34 VanDerWaalsContact O-CB 3.26Å; G30-S34 WeakPolarHBondContact O-CB 3.38Å; G30-S34 PolarHBondContact O-N 3.48Å; G30-S34 PolarHBondContact O-OG 2.84Å |
| 31 | R | 89.9 | Confident | 87.3 | Confident | 186 Ų | 186 | 48.6 Ų | 48.6 | 70% | 0.702 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 175.1 | -68.7 | 177.1 | 70 | 179.7 | 3 | 112 | G27 L28 E29 A35 | G27-R31 WeakPolarHBondContact O-CG 3.31Å; G27-R31 PolarHBondContact O-N 3.02Å; L28-R31 PolarHBondContact O-N 3.48Å; E29-R31 VanDerWaalsContact C-N 3.33Å; E29-R31 PolarHBondContact O-N 3.2Å; R31-A35 WeakPolarHBondContact O-CB 3.49Å; R31-A35 PolarHBondContact O-N 3.19Å |
| 32 | Y | 91.3 | Very high | 87.7 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 11% | 0.106 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 176.3 | -74.6 | -70.3 | 0 | 0 | 0 | 111.9 | L28 E29 S34 A35 L36 I103 L104 N107 R109 | L28-Y32 WeakPolarHBondContact O-CD2 3.45Å; L28-Y32 PolarHBondContact O-N 3.24Å; E29-Y32 PolarHBondContact O-N 3.34Å; Y32-S34 VanDerWaalsContact C-N 3.33Å; Y32-S34 PolarHBondContact O-N 3.17Å; Y32-A35 PolarHBondContact O-N 3.18Å; Y32-L36 WeakPolarHBondContact O-CB 3.41Å; Y32-L36 PolarHBondContact O-N 3.13Å; Y32-I103 HydrophobicContact CE1-CG2 3.83Å; Y32-L104 HydrophobicContact CD1-CD2 3.95Å; Y32-L104 HydrophobicContact CD1-CG 4.47Å; Y32-L104 HydrophobicContact CD2-CD2 3.75Å; Y32-L104 HydrophobicContact CE1-CD2 3.96Å; Y32-L104 HydrophobicContact CE2-CD2 3.76Å; Y32-L104 HydrophobicContact CG-CD2 3.86Å; Y32-N107 PolarHBondContact OH-ND2 2.93Å; Y32-N107 VanDerWaalsContact OH-ND2 3.16Å; Y32-R109 WeakPolarHBondContact OH-CD 3.49Å; Y32-R109 PolarHBondContact OH-NH1 2.93Å |
| 33 | A | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E29 G30 L36 Y37 K119 F120 I123 | E29-A33 WeakPolarHBondContact O-CB 3.2Å; E29-A33 PolarHBondContact O-N 3.12Å; G30-A33 PolarHBondContact O-N 3Å; A33-L36 PolarHBondContact O-N 2.89Å; A33-Y37 WeakPolarHBondContact O-CB 3.4Å; A33-Y37 PolarHBondContact O-N 2.95Å; A33-K119 HydrophobicContact CB-CB 3.92Å; A33-F120 HydrophobicContact CB-CB 4.22Å; A33-I123 HydrophobicContact CB-CD1 3.76Å |
| 34 | S | 90.5 | Very high | 88.3 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 176.1 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | V25 G30 Y32 Y37 S38 | V25-S34 WeakPolarHBondContact CG2-OG 3.48Å; G30-S34 VanDerWaalsContact O-CB 3.26Å; G30-S34 WeakPolarHBondContact O-CB 3.38Å; G30-S34 PolarHBondContact O-N 3.48Å; G30-S34 PolarHBondContact O-OG 2.84Å; Y32-S34 VanDerWaalsContact C-N 3.33Å; Y32-S34 PolarHBondContact O-N 3.17Å; S34-Y37 PolarHBondContact O-N 3.39Å; S34-S38 VanDerWaalsContact O-CB 3.32Å; S34-S38 WeakPolarHBondContact O-CB 3.49Å; S34-S38 PolarHBondContact O-N 3.43Å |
| 35 | A | 89.6 | Confident | 88.5 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 41% | 0.413 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R31 Y32 S38 A39 | R31-A35 WeakPolarHBondContact O-CB 3.49Å; R31-A35 PolarHBondContact O-N 3.19Å; Y32-A35 PolarHBondContact O-N 3.18Å; A35-S38 PolarHBondContact O-N 2.87Å; A35-A39 WeakPolarHBondContact O-CB 3.25Å; A35-A39 PolarHBondContact O-N 2.84Å |
| 36 | L | 90.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 174.5 | -178.7 | 73.4 | 0 | 0 | 0 | 111.3 | Y32 A33 S38 A39 A40 I49 I53 L100 F120 | Y32-L36 WeakPolarHBondContact O-CB 3.41Å; Y32-L36 PolarHBondContact O-N 3.13Å; A33-L36 PolarHBondContact O-N 2.89Å; L36-S38 VanDerWaalsContact C-N 3.25Å; L36-S38 PolarHBondContact O-N 2.89Å; L36-A39 PolarHBondContact O-N 3.17Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.26Å; L36-I49 HydrophobicContact CD1-CG2 4.08Å; L36-I49 HydrophobicContact CD2-CG2 4.09Å; L36-I49 HydrophobicContact CG-CG2 4.19Å; L36-I53 HydrophobicContact CD2-CD1 3.35Å; L36-L100 HydrophobicContact CB-CD1 3.62Å; L36-L100 HydrophobicContact CD1-CB 4.01Å; L36-L100 HydrophobicContact CD1-CD1 3.87Å; L36-L100 HydrophobicContact CD1-CG 4.5Å; L36-L100 HydrophobicContact CD2-CD1 3.95Å; L36-L100 HydrophobicContact CG-CD1 4Å; L36-F120 HydrophobicContact CB-CD2 4.36Å; L36-F120 HydrophobicContact CB-CE2 4.38Å; L36-F120 HydrophobicContact CD2-CD1 4.3Å; L36-F120 HydrophobicContact CD2-CD2 3.31Å; L36-F120 HydrophobicContact CD2-CE1 4.36Å; L36-F120 HydrophobicContact CD2-CE2 3.39Å; L36-F120 HydrophobicContact CD2-CG 3.79Å; L36-F120 HydrophobicContact CD2-CZ 3.93Å; L36-F120 HydrophobicContact CG-CD2 4.09Å; L36-F120 HydrophobicContact CG-CE2 3.84Å |
| 37 | Y | 90.1 | Very high | 88.7 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -40.9 | 176.3 | 175.7 | -98 | 0 | 0 | 0 | 111.6 | P21 A33 S34 A40 T41 L46 I123 Y127 | P21-Y37 HydrophobicContact CB-CD1 3.99Å; P21-Y37 HydrophobicContact CB-CE1 4.27Å; A33-Y37 WeakPolarHBondContact O-CB 3.4Å; A33-Y37 PolarHBondContact O-N 2.95Å; S34-Y37 PolarHBondContact O-N 3.39Å; Y37-A40 PolarHBondContact O-N 3.28Å; Y37-T41 WeakPolarHBondContact O-CB 3.17Å; Y37-T41 PolarHBondContact O-N 3.45Å; Y37-T41 PolarHBondContact O-OG1 3.02Å; Y37-L46 HydrophobicContact CD2-CD2 3.92Å; Y37-L46 HydrophobicContact CE2-CD2 4Å; Y37-I123 HydrophobicContact CD1-CG2 4.29Å; Y37-I123 HydrophobicContact CD2-CG2 3.49Å; Y37-I123 VanDerWaalsContact CD2-CG2 3.49Å; Y37-I123 HydrophobicContact CE2-CG2 3.93Å; Y37-I123 HydrophobicContact CG-CG2 3.69Å; Y37-Y127 HydrophobicContact CE2-CD2 4.11Å; Y37-Y127 HydrophobicContact CE2-CG 4.14Å; Y37-Y127 WeakPolarHBondContact OH-CD2 3.39Å; Y37-Y127 WeakPolarHBondContact OH-CE2 3.27Å |
| 38 | S | 89.2 | Confident | 88.7 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 112.7 | I19 S34 A35 L36 K42 | I19-S38 VanDerWaalsContact CG2-CA 3.48Å; I19-S38 PolarHBondContact N-OG 2.87Å; S34-S38 VanDerWaalsContact O-CB 3.32Å; S34-S38 WeakPolarHBondContact O-CB 3.49Å; S34-S38 PolarHBondContact O-N 3.43Å; A35-S38 PolarHBondContact O-N 2.87Å; L36-S38 VanDerWaalsContact C-N 3.25Å; L36-S38 PolarHBondContact O-N 2.89Å; S38-K42 VanDerWaalsContact O-CG 3.28Å; S38-K42 WeakPolarHBondContact O-CG 3.28Å; S38-K42 PolarHBondContact O-N 3.33Å; S38-K42 VanDerWaalsContact O-N 3.15Å |
| 39 | A | 89.2 | Confident | 88.9 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 31% | 0.306 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A35 L36 T41 K42 Q43 | A35-A39 WeakPolarHBondContact O-CB 3.25Å; A35-A39 PolarHBondContact O-N 2.84Å; L36-A39 PolarHBondContact O-N 3.17Å; A39-T41 PolarHBondContact O-N 2.83Å; A39-K42 PolarHBondContact O-N 2.98Å; A39-Q43 WeakPolarHBondContact O-CG 3.5Å; A39-Q43 PolarHBondContact O-N 2.83Å |
| 40 | A | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L36 Y37 Q43 K44 A45 L46 I49 | L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.26Å; Y37-A40 PolarHBondContact O-N 3.28Å; A40-Q43 CarbonylContact O-C 3.59Å; A40-Q43 PolarHBondContact O-N 3Å; A40-K44 PolarHBondContact O-N 2.81Å; A40-A45 PolarHBondContact O-N 3.32Å; A40-L46 HydrophobicContact CB-CD2 3.47Å; A40-L46 VanDerWaalsContact CB-CD2 3.47Å; A40-L46 HydrophobicContact CB-CG 4.22Å; A40-I49 HydrophobicContact CB-CD1 3.31Å |
| 41 | T | 88.3 | Confident | 89 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 176.8 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | I19 Y37 A39 Q43 K44 | I19-T41 HydrophobicContact CG1-CG2 4.45Å; I19-T41 HydrophobicContact CG2-CG2 4.12Å; Y37-T41 WeakPolarHBondContact O-CB 3.17Å; Y37-T41 PolarHBondContact O-N 3.45Å; Y37-T41 PolarHBondContact O-OG1 3.02Å; A39-T41 PolarHBondContact O-N 2.83Å; T41-Q43 VanDerWaalsContact C-N 3.33Å; T41-Q43 PolarHBondContact O-N 2.86Å; T41-K44 PolarHBondContact O-N 3.09Å |
| 42 | K | 87.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 49.4 Ų | 49.4 | 43% | 0.426 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.9 | -38.7 | 175.7 | -73.1 | 174.4 | -177.5 | -176.6 | 0 | 112.3 | L16 S38 A39 K44 | L16-K42 HydrophobicContact CD2-CD 4.43Å; L16-K42 VanDerWaalsContact CD2-NZ 3.34Å; L16-K42 PolarHBondContact O-NZ 2.83Å; L16-K42 VanDerWaalsContact O-NZ 3.17Å; S38-K42 VanDerWaalsContact O-CG 3.28Å; S38-K42 WeakPolarHBondContact O-CG 3.28Å; S38-K42 PolarHBondContact O-N 3.33Å; S38-K42 VanDerWaalsContact O-N 3.15Å; A39-K42 PolarHBondContact O-N 2.98Å; K42-K44 VanDerWaalsContact C-N 3.32Å |
| 43 | Q | 86.7 | Confident | 89.1 | Confident | 83 Ų | 83 | 48.4 Ų | 48.4 | 39% | 0.388 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -3.8 | 177.3 | -68 | -176.5 | -5 | 0 | 0 | 114 | A39 A40 T41 A45 | A39-Q43 WeakPolarHBondContact O-CG 3.5Å; A39-Q43 PolarHBondContact O-N 2.83Å; A40-Q43 CarbonylContact O-C 3.59Å; A40-Q43 PolarHBondContact O-N 3Å; T41-Q43 VanDerWaalsContact C-N 3.33Å; T41-Q43 PolarHBondContact O-N 2.86Å; Q43-A45 HydrophobicContact CB-CB 4.19Å; Q43-A45 PolarHBondContact O-N 2.9Å |
| 44 | K | 84.7 | Confident | 89 | Confident | 194 Ų | 194 | 52.5 Ų | 52.5 | 84% | 0.843 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 34.4 | -173.5 | -58 | -179.2 | 178.4 | 179.3 | 0 | 113.2 | A40 T41 K42 | A40-K44 PolarHBondContact O-N 2.81Å; T41-K44 PolarHBondContact O-N 3.09Å; K42-K44 VanDerWaalsContact C-N 3.32Å |
| 45 | A | 85.4 | Confident | 89 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 11% | 0.107 | 28% | 0.28 | C | S | . | . | trans | -119.1 | 27.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | A40 Q43 D47 K48 I49 | A40-A45 PolarHBondContact O-N 3.32Å; Q43-A45 HydrophobicContact CB-CB 4.19Å; Q43-A45 PolarHBondContact O-N 2.9Å; A45-D47 PolarHBondContact O-N 3.4Å; A45-K48 PolarHBondContact O-N 3.19Å; A45-I49 HydrophobicContact CB-CD1 4.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.4Å; A45-I49 PolarHBondContact O-N 3.45Å | ||
| 46 | L | 86.6 | Confident | 88.9 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.8 | -51.7 | -175.7 | -72.8 | 166.8 | 0 | 0 | 0 | 112.6 | Y37 A40 K48 I49 E50 M124 Y127 | Y37-L46 HydrophobicContact CD2-CD2 3.92Å; Y37-L46 HydrophobicContact CE2-CD2 4Å; A40-L46 HydrophobicContact CB-CD2 3.47Å; A40-L46 VanDerWaalsContact CB-CD2 3.47Å; A40-L46 HydrophobicContact CB-CG 4.22Å; L46-K48 VanDerWaalsContact C-N 3.28Å; L46-K48 PolarHBondContact O-N 3.42Å; L46-I49 PolarHBondContact O-N 3.02Å; L46-E50 PolarHBondContact O-N 3.39Å; L46-M124 HydrophobicContact CB-CE 4.27Å; L46-M124 HydrophobicContact CD2-SD 4.14Å; L46-Y127 HydrophobicContact CD1-CD1 4.3Å; L46-Y127 HydrophobicContact CD1-CE1 3.67Å; L46-Y127 HydrophobicContact CD1-CE2 4.44Å |
| 47 | D | 87.9 | Confident | 88.8 | Confident | 105 Ų | 105 | 54.8 Ų | 54.8 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64 | -31.9 | -178.1 | -58.8 | -32.5 | 0 | 0 | 0 | 113.1 | A45 K51 | A45-D47 PolarHBondContact O-N 3.4Å; D47-K51 VanDerWaalsContact O-CG 3.32Å; D47-K51 WeakPolarHBondContact O-CG 3.46Å; D47-K51 PolarHBondContact O-N 2.9Å |
| 48 | K | 89.9 | Confident | 88.8 | Confident | 142 Ų | 142 | 58.1 Ų | 58.1 | 62% | 0.617 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71.1 | -45.4 | 177.3 | -65.1 | -176.3 | -179.8 | 179.4 | 0 | 110.4 | A45 L46 E50 K51 D52 | A45-K48 PolarHBondContact O-N 3.19Å; L46-K48 VanDerWaalsContact C-N 3.28Å; L46-K48 PolarHBondContact O-N 3.42Å; K48-E50 VanDerWaalsContact C-N 3.34Å; K48-E50 PolarHBondContact O-N 3.09Å; K48-K51 PolarHBondContact O-N 2.91Å; K48-D52 VanDerWaalsContact O-CG 3.25Å; K48-D52 PolarHBondContact O-N 3.34Å |
| 49 | I | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -38.2 | -179.2 | -69.1 | 163.9 | 0 | 0 | 0 | 111 | L36 A40 A45 L46 D52 I53 N94 A96 F120 | L36-I49 HydrophobicContact CD1-CG2 4.08Å; L36-I49 HydrophobicContact CD2-CG2 4.09Å; L36-I49 HydrophobicContact CG-CG2 4.19Å; A40-I49 HydrophobicContact CB-CD1 3.31Å; A45-I49 HydrophobicContact CB-CD1 4.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.4Å; A45-I49 PolarHBondContact O-N 3.45Å; L46-I49 PolarHBondContact O-N 3.02Å; I49-D52 PolarHBondContact O-N 2.99Å; I49-I53 HydrophobicContact CG2-CD1 3.69Å; I49-I53 HydrophobicContact CG2-CG1 4.48Å; I49-I53 WeakPolarHBondContact O-CB 3.4Å; I49-I53 WeakPolarHBondContact O-CD1 3.36Å; I49-I53 VanDerWaalsContact O-CG1 3.27Å; I49-I53 WeakPolarHBondContact O-CG1 3.44Å; I49-I53 PolarHBondContact O-N 2.75Å; I49-N94 HydrophobicContact CG1-CB 4.44Å; I49-A96 HydrophobicContact CD1-CB 3.69Å; I49-A96 HydrophobicContact CG1-CB 4.38Å; I49-F120 HydrophobicContact CG2-CE1 4.39Å; I49-F120 HydrophobicContact CG2-CZ 3.95Å |
| 50 | E | 89.6 | Confident | 88.6 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 174.1 | -173.7 | -171.9 | 161.5 | 0 | 0 | 112.1 | L46 K48 D52 I53 Q54 M124 R128 | L46-E50 PolarHBondContact O-N 3.39Å; K48-E50 VanDerWaalsContact C-N 3.34Å; K48-E50 PolarHBondContact O-N 3.09Å; E50-D52 VanDerWaalsContact C-N 3.34Å; E50-D52 PolarHBondContact O-N 3.11Å; E50-I53 PolarHBondContact O-N 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.4Å; E50-Q54 PolarHBondContact O-N 2.9Å; E50-Q54 PolarHBondContact OE1-NE2 2.8Å; E50-M124 HydrophobicContact CB-CE 4.26Å; E50-M124 VanDerWaalsContact OE2-CE 3.23Å; E50-M124 WeakPolarHBondContact OE2-CE 3.48Å; E50-R128 IonicContact OE1-CZ 3.29Å; E50-R128 IonicContact OE1-NH1 3.41Å; E50-R128 IonicContact OE1-NH2 2.75Å; E50-R128 PolarHBondContact OE1-NH2 3.36Å; E50-R128 IonicContact OE2-CZ 2.91Å; E50-R128 IonicContact OE2-NE 3.47Å; E50-R128 IonicContact OE2-NH2 3.33Å; E50-R128 PolarHBondContact OE2-NH2 3.2Å |
| 51 | K | 90.9 | Very high | 88.5 | Confident | 136 Ų | 136 | 65.7 Ų | 65.7 | 59% | 0.591 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 175.4 | -72.8 | 174 | -177.1 | -179.9 | 0 | 111.5 | D47 K48 I53 Q54 L55 | D47-K51 VanDerWaalsContact O-CG 3.32Å; D47-K51 WeakPolarHBondContact O-CG 3.46Å; D47-K51 PolarHBondContact O-N 2.9Å; K48-K51 PolarHBondContact O-N 2.91Å; K51-I53 VanDerWaalsContact C-N 3.31Å; K51-I53 PolarHBondContact O-N 2.98Å; K51-Q54 PolarHBondContact O-N 2.84Å; K51-L55 VanDerWaalsContact O-CG 3.29Å; K51-L55 WeakPolarHBondContact O-CG 3.48Å; K51-L55 PolarHBondContact O-N 3.3Å |
| 52 | D | 90.8 | Very high | 88.4 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.4 | -44 | 176.6 | -66.6 | -16.7 | 0 | 0 | 0 | 111.3 | K48 I49 E50 L55 I56 V93 N94 T97 | K48-D52 VanDerWaalsContact O-CG 3.25Å; K48-D52 PolarHBondContact O-N 3.34Å; I49-D52 PolarHBondContact O-N 2.99Å; E50-D52 VanDerWaalsContact C-N 3.34Å; E50-D52 PolarHBondContact O-N 3.11Å; D52-L55 WeakPolarHBondContact O-CB 3.44Å; D52-L55 PolarHBondContact O-N 2.69Å; D52-I56 WeakPolarHBondContact O-CD1 3.42Å; D52-I56 VanDerWaalsContact O-CG1 3.22Å; D52-I56 WeakPolarHBondContact O-CG1 3.39Å; D52-I56 PolarHBondContact O-N 3.12Å; D52-V93 HydrophobicContact CB-CB 4.43Å; D52-V93 HydrophobicContact CB-CG1 4.36Å; D52-N94 WeakPolarHBondContact OD2-CB 3.4Å; D52-N94 PolarHBondContact OD2-N 2.98Å; D52-T97 HydrophobicContact CB-CG2 3.99Å; D52-T97 PolarHBondContact OD2-OG1 3.35Å |
| 53 | I | 91.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.4 | -40.6 | -179.9 | -74 | 165.1 | 0 | 0 | 0 | 111.6 | L36 I49 E50 K51 I56 K57 T97 I117 F120 | L36-I53 HydrophobicContact CD2-CD1 3.35Å; I49-I53 HydrophobicContact CG2-CD1 3.69Å; I49-I53 HydrophobicContact CG2-CG1 4.48Å; I49-I53 WeakPolarHBondContact O-CB 3.4Å; I49-I53 WeakPolarHBondContact O-CD1 3.36Å; I49-I53 VanDerWaalsContact O-CG1 3.27Å; I49-I53 WeakPolarHBondContact O-CG1 3.44Å; I49-I53 PolarHBondContact O-N 2.75Å; E50-I53 PolarHBondContact O-N 3.25Å; K51-I53 VanDerWaalsContact C-N 3.31Å; K51-I53 PolarHBondContact O-N 2.98Å; I53-I56 PolarHBondContact O-N 2.99Å; I53-K57 WeakPolarHBondContact O-CB 3.47Å; I53-K57 PolarHBondContact O-N 2.79Å; I53-T97 HydrophobicContact CG1-CG2 4.44Å; I53-I117 HydrophobicContact CG2-CB 4.23Å; I53-I117 HydrophobicContact CG2-CG1 3.98Å; I53-I117 HydrophobicContact CG2-CG2 3.6Å; I53-F120 HydrophobicContact CD1-CD1 3.36Å; I53-F120 HydrophobicContact CD1-CD2 4.48Å; I53-F120 HydrophobicContact CD1-CE1 3.4Å; I53-F120 HydrophobicContact CD1-CG 3.93Å; I53-F120 HydrophobicContact CD1-CZ 4Å; I53-F120 HydrophobicContact CG2-CD1 4.4Å |
| 54 | Q | 90.4 | Very high | 88.3 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 174.1 | -72.4 | 177.3 | 0.2 | 0 | 0 | 111.7 | E50 K51 I56 K57 N58 | E50-Q54 WeakPolarHBondContact O-CG 3.4Å; E50-Q54 PolarHBondContact O-N 2.9Å; E50-Q54 PolarHBondContact OE1-NE2 2.8Å; K51-Q54 PolarHBondContact O-N 2.84Å; Q54-I56 VanDerWaalsContact C-N 3.34Å; Q54-I56 PolarHBondContact O-N 2.91Å; Q54-K57 PolarHBondContact O-N 2.89Å; Q54-N58 WeakPolarHBondContact O-CB 3.29Å; Q54-N58 PolarHBondContact O-N 2.98Å; Q54-N58 PolarHBondContact O-ND2 3.35Å |
| 55 | L | 89.6 | Confident | 88.4 | Confident | 98 Ų | 98 | 70.2 Ų | 70.2 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 174.4 | -72.1 | 173.2 | 0 | 0 | 0 | 110.9 | K51 D52 N58 T59 | K51-L55 VanDerWaalsContact O-CG 3.29Å; K51-L55 WeakPolarHBondContact O-CG 3.48Å; K51-L55 PolarHBondContact O-N 3.3Å; D52-L55 WeakPolarHBondContact O-CB 3.44Å; D52-L55 PolarHBondContact O-N 2.69Å; L55-N58 PolarHBondContact O-N 3.16Å; L55-T59 WeakPolarHBondContact O-CG2 3.44Å; L55-T59 PolarHBondContact O-N 3.31Å; L55-T59 PolarHBondContact O-OG1 2.85Å |
| 56 | I | 88.2 | Confident | 88.3 | Confident | 6 Ų | 6 | 72.8 Ų | 72.8 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | 179 | -64.4 | 164 | 0 | 0 | 0 | 111.8 | D52 I53 Q54 N58 T59 L60 L88 L91 V93 T97 F101 | D52-I56 WeakPolarHBondContact O-CD1 3.42Å; D52-I56 VanDerWaalsContact O-CG1 3.22Å; D52-I56 WeakPolarHBondContact O-CG1 3.39Å; D52-I56 PolarHBondContact O-N 3.12Å; I53-I56 PolarHBondContact O-N 2.99Å; Q54-I56 VanDerWaalsContact C-N 3.34Å; Q54-I56 PolarHBondContact O-N 2.91Å; I56-N58 PolarHBondContact O-N 2.61Å; I56-T59 WeakPolarHBondContact CA-OG1 3.49Å; I56-T59 PolarHBondContact O-N 3.13Å; I56-T59 PolarHBondContact O-OG1 3.47Å; I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 HydrophobicContact CG2-CG 4.19Å; I56-L60 WeakPolarHBondContact O-CB 3.18Å; I56-L60 VanDerWaalsContact O-CG 3.31Å; I56-L60 WeakPolarHBondContact O-CG 3.14Å; I56-L60 PolarHBondContact O-N 2.88Å; I56-L88 HydrophobicContact CD1-CD2 3.67Å; I56-L88 HydrophobicContact CG1-CD2 4.15Å; I56-L91 HydrophobicContact CG1-CD1 4.37Å; I56-V93 HydrophobicContact CD1-CG1 4.23Å; I56-T97 HydrophobicContact CD1-CG2 3.66Å; I56-F101 HydrophobicContact CB-CZ 4.35Å; I56-F101 HydrophobicContact CD1-CD2 4.08Å; I56-F101 HydrophobicContact CD1-CE2 3.34Å; I56-F101 HydrophobicContact CD1-CZ 3.82Å; I56-F101 HydrophobicContact CG2-CE1 4.08Å; I56-F101 HydrophobicContact CG2-CE2 4.24Å; I56-F101 HydrophobicContact CG2-CZ 3.55Å |
| 57 | K | 89.1 | Confident | 88.2 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 173.8 | -167.5 | 179.5 | -160.9 | 164.4 | 0 | 110.8 | I53 Q54 K61 I117 D118 E121 | I53-K57 WeakPolarHBondContact O-CB 3.47Å; I53-K57 PolarHBondContact O-N 2.79Å; Q54-K57 PolarHBondContact O-N 2.89Å; K57-K61 VanDerWaalsContact O-CG 3.32Å; K57-K61 WeakPolarHBondContact O-CG 3.23Å; K57-K61 PolarHBondContact O-N 2.85Å; K57-I117 HydrophobicContact CB-CD1 4.3Å; K57-I117 HydrophobicContact CB-CG2 4.27Å; K57-I117 HydrophobicContact CD-CG2 3.78Å; K57-I117 HydrophobicContact CG-CG2 4.18Å; K57-D118 IonicContact NZ-OD1 2.76Å; K57-D118 PolarHBondContact NZ-OD1 2.94Å; K57-E121 WeakPolarHBondContact CD-OE1 3.34Å; K57-E121 IonicContact NZ-OE1 3.15Å; K57-E121 PolarHBondContact NZ-OE1 3.26Å; K57-E121 IonicContact NZ-OE2 2.74Å; K57-E121 PolarHBondContact NZ-OE2 3.43Å |
| 58 | N | 89.5 | Confident | 88.1 | Confident | 82 Ų | 82 | 75 Ų | 75 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72.5 | -37.8 | 179.7 | -71 | -26.8 | 0 | 0 | 0 | 112.8 | Q54 L55 I56 K62 | Q54-N58 WeakPolarHBondContact O-CB 3.29Å; Q54-N58 PolarHBondContact O-N 2.98Å; Q54-N58 PolarHBondContact O-ND2 3.35Å; L55-N58 PolarHBondContact O-N 3.16Å; I56-N58 PolarHBondContact O-N 2.61Å; N58-K62 VanDerWaalsContact O-CG 3.25Å; N58-K62 WeakPolarHBondContact O-CG 3.3Å; N58-K62 PolarHBondContact O-N 3.07Å |
| 59 | T | 87.8 | Confident | 87.9 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.5 | -44 | 175.6 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | L55 I56 K61 K62 D63 L91 | L55-T59 WeakPolarHBondContact O-CG2 3.44Å; L55-T59 PolarHBondContact O-N 3.31Å; L55-T59 PolarHBondContact O-OG1 2.85Å; I56-T59 WeakPolarHBondContact CA-OG1 3.49Å; I56-T59 PolarHBondContact O-N 3.13Å; I56-T59 PolarHBondContact O-OG1 3.47Å; T59-K61 VanDerWaalsContact C-N 3.26Å; T59-K61 PolarHBondContact O-N 3.01Å; T59-K62 PolarHBondContact O-N 3.49Å; T59-D63 WeakPolarHBondContact O-CB 3.23Å; T59-D63 PolarHBondContact O-N 3.31Å; T59-L91 HydrophobicContact CG2-CD1 4.38Å; T59-L91 HydrophobicContact CG2-CD2 4.33Å |
| 60 | L | 86.6 | Confident | 87.6 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 9% | 0.094 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.4 | -33.8 | 176.5 | -73.7 | 172.9 | 0 | 0 | 0 | 113.1 | I56 L66 I113 | I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 HydrophobicContact CG2-CG 4.19Å; I56-L60 WeakPolarHBondContact O-CB 3.18Å; I56-L60 VanDerWaalsContact O-CG 3.31Å; I56-L60 WeakPolarHBondContact O-CG 3.14Å; I56-L60 PolarHBondContact O-N 2.88Å; L60-L66 HydrophobicContact CD2-CB 4.41Å; L60-I113 HydrophobicContact CD1-CG2 3.61Å |
| 61 | K | 85.9 | Confident | 87.4 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 64% | 0.635 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -73.3 | -31 | 175 | -76.1 | 178.9 | 178.4 | -173.9 | 0 | 113.4 | K57 T59 | K57-K61 VanDerWaalsContact O-CG 3.32Å; K57-K61 WeakPolarHBondContact O-CG 3.23Å; K57-K61 PolarHBondContact O-N 2.85Å; T59-K61 VanDerWaalsContact C-N 3.26Å; T59-K61 PolarHBondContact O-N 3.01Å |
| 62 | K | 87.9 | Confident | 87.2 | Confident | 167 Ų | 167 | 71.1 Ų | 71.1 | 73% | 0.726 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -82.8 | -40 | -178.8 | -72.5 | 173.7 | -178.5 | -175.3 | 0 | 111.9 | N58 T59 V64 | N58-K62 VanDerWaalsContact O-CG 3.25Å; N58-K62 WeakPolarHBondContact O-CG 3.3Å; N58-K62 PolarHBondContact O-N 3.07Å; T59-K62 PolarHBondContact O-N 3.49Å; K62-V64 PolarHBondContact O-N 3.41Å |
| 63 | D | 86.7 | Confident | 86.8 | Confident | 76 Ų | 76 | 76 Ų | 76 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | trans | -98.1 | 91.5 | -172.6 | -66.4 | -36.2 | 0 | 0 | 0 | 111.5 | T59 K65 L66 H67 | T59-D63 WeakPolarHBondContact O-CB 3.23Å; T59-D63 PolarHBondContact O-N 3.31Å; D63-K65 PolarHBondContact O-N 2.79Å; D63-L66 HydrophobicContact CB-CB 3.95Å; D63-L66 HydrophobicContact CB-CD1 3.75Å; D63-L66 HydrophobicContact CB-CG 3.79Å; D63-L66 PolarHBondContact O-N 3.17Å; D63-L66 WeakPolarHBondContact OD2-CD1 3.44Å; D63-H67 PolarHBondContact O-N 2.9Å; D63-H67 VanDerWaalsContact O-N 3.14Å | ||
| 64 | V | 85.8 | Confident | 86.4 | Confident | 94 Ų | 94 | 80.7 Ų | 80.7 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -54.2 | -39.9 | 178 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | K62 L66 H67 E68 | K62-V64 PolarHBondContact O-N 3.41Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 2.91Å; V64-H67 WeakPolarHBondContact O-CB 3.34Å; V64-H67 PolarHBondContact O-N 3.42Å; V64-E68 HydrophobicContact CG1-CG 4.41Å; V64-E68 WeakPolarHBondContact O-CG 3.26Å; V64-E68 PolarHBondContact O-N 2.79Å |
| 65 | K | 85.6 | Confident | 86.1 | Confident | 175 Ų | 175 | 79.5 Ų | 79.5 | 76% | 0.761 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.4 | -38.2 | 178.5 | -64.4 | -178.4 | -180 | 178.6 | 0 | 113.2 | D63 H67 F69 | D63-K65 PolarHBondContact O-N 2.79Å; K65-H67 VanDerWaalsContact C-N 3.34Å; K65-F69 WeakPolarHBondContact O-CB 3.47Å; K65-F69 PolarHBondContact O-N 2.96Å |
| 66 | L | 82.9 | Confident | 85.9 | Confident | 68 Ų | 68 | 81.6 Ų | 81.6 | 36% | 0.356 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71.4 | -35.9 | 177.4 | -67.7 | -177.1 | 0 | 0 | 0 | 110.8 | L60 D63 V64 C70 | L60-L66 HydrophobicContact CD2-CB 4.41Å; D63-L66 HydrophobicContact CB-CB 3.95Å; D63-L66 HydrophobicContact CB-CD1 3.75Å; D63-L66 HydrophobicContact CB-CG 3.79Å; D63-L66 PolarHBondContact O-N 3.17Å; D63-L66 WeakPolarHBondContact OD2-CD1 3.44Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 2.91Å; L66-C70 PolarHBondContact O-N 2.75Å; L66-C70 VanDerWaalsContact O-N 3.1Å; L66-C70 PolarHBondContact O-SG 3.17Å |
| 67 | H | 84.8 | Confident | 85.7 | Confident | 68 Ų | 68 | 89.1 Ų | 89.1 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 174.8 | -177.4 | -97.4 | 0 | 0 | 0 | 111.8 | D63 V64 K65 F69 C70 L71 | D63-H67 PolarHBondContact O-N 2.9Å; D63-H67 VanDerWaalsContact O-N 3.14Å; V64-H67 WeakPolarHBondContact O-CB 3.34Å; V64-H67 PolarHBondContact O-N 3.42Å; K65-H67 VanDerWaalsContact C-N 3.34Å; H67-F69 PolarHBondContact O-N 2.97Å; H67-C70 WeakPolarHBondContact O-CB 3.47Å; H67-C70 PolarHBondContact O-N 3.05Å; H67-C70 VanDerWaalsContact O-N 3.17Å; H67-L71 WeakPolarHBondContact CE1-CD1 3.1Å; H67-L71 WeakPolarHBondContact O-CG 3.12Å; H67-L71 PolarHBondContact O-N 2.98Å; H67-L71 VanDerWaalsContact O-N 3.13Å |
| 68 | E | 86.1 | Confident | 85.6 | Confident | 101 Ų | 101 | 90.1 Ų | 90.1 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 174.1 | -71.8 | 172.1 | 172.5 | 0 | 0 | 111.3 | V64 C70 L71 D72 | V64-E68 HydrophobicContact CG1-CG 4.41Å; V64-E68 WeakPolarHBondContact O-CG 3.26Å; V64-E68 PolarHBondContact O-N 2.79Å; E68-C70 PolarHBondContact O-N 3.37Å; E68-C70 VanDerWaalsContact O-N 3.15Å; E68-L71 PolarHBondContact O-N 2.98Å; E68-D72 PolarHBondContact O-N 3.18Å |
| 69 | F | 86 | Confident | 85.4 | Confident | 49 Ų | 49 | 89.7 Ų | 89.7 | 22% | 0.215 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -55.5 | -35.7 | 175.8 | -177 | -93.2 | 0 | 0 | 0 | 113.6 | K65 H67 L75 K80 I84 | K65-F69 WeakPolarHBondContact O-CB 3.47Å; K65-F69 PolarHBondContact O-N 2.96Å; H67-F69 PolarHBondContact O-N 2.97Å; F69-L75 HydrophobicContact CD2-CD1 3.37Å; F69-L75 HydrophobicContact CE2-CD1 3.4Å; F69-L75 VanDerWaalsContact CE2-CD1 3.4Å; F69-L75 HydrophobicContact CG-CD1 4.19Å; F69-L75 HydrophobicContact CZ-CD1 4.23Å; F69-K80 HydrophobicContact CE1-CB 4.4Å; F69-K80 HydrophobicContact CE1-CG 4.32Å; F69-K80 HydrophobicContact CZ-CB 4.44Å; F69-K80 HydrophobicContact CZ-CG 4.22Å; F69-I84 HydrophobicContact CE1-CD1 4.46Å; F69-I84 HydrophobicContact CE1-CG1 4.14Å |
| 70 | C | 84.5 | Confident | 85.3 | Confident | 16 Ų | 16 | 88.7 Ų | 88.7 | 11% | 0.108 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -71.7 | -35.3 | 176.6 | -68.7 | 0 | 0 | 0 | 0 | 112.4 | L66 H67 E68 L110 S111 | L66-C70 PolarHBondContact O-N 2.75Å; L66-C70 VanDerWaalsContact O-N 3.1Å; L66-C70 PolarHBondContact O-SG 3.17Å; H67-C70 WeakPolarHBondContact O-CB 3.47Å; H67-C70 PolarHBondContact O-N 3.05Å; H67-C70 VanDerWaalsContact O-N 3.17Å; E68-C70 PolarHBondContact O-N 3.37Å; E68-C70 VanDerWaalsContact O-N 3.15Å; C70-L110 HydrophobicContact CB-CB 4.3Å; C70-S111 PolarHBondContact O-N 2.85Å |
| 71 | L | 85 | Confident | 85.3 | Confident | 85 Ų | 85 | 89.7 Ų | 89.7 | 45% | 0.445 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -79.5 | -32.3 | -179.2 | -68.6 | 178.1 | 0 | 0 | 0 | 113.2 | H67 E68 P73 | H67-L71 WeakPolarHBondContact CE1-CD1 3.1Å; H67-L71 WeakPolarHBondContact O-CG 3.12Å; H67-L71 PolarHBondContact O-N 2.98Å; H67-L71 VanDerWaalsContact O-N 3.13Å; E68-L71 PolarHBondContact O-N 2.98Å; L71-P73 WeakPolarHBondContact O-CD 3.47Å |
| 72 | D | 86.5 | Confident | 85.4 | Confident | 70 Ų | 70 | 87.7 Ų | 87.7 | 37% | 0.374 | 45% | 0.454 | S | S | . | . | trans | -66.6 | 107.3 | -170.9 | -72.3 | -30.5 | 0 | 0 | 0 | 113.4 | E68 S74 L75 K80 | E68-D72 PolarHBondContact O-N 3.18Å; D72-S74 PolarHBondContact O-N 3.36Å; D72-L75 HydrophobicContact CB-CD1 4.37Å; D72-L75 HydrophobicContact CB-CG 4.47Å; D72-K80 WeakPolarHBondContact O-CE 3.42Å; D72-K80 PolarHBondContact O-NZ 2.88Å | ||
| 73 | P | 83.4 | Confident | 85.3 | Confident | 123 Ų | 123 | 81 Ų | 81 | 80% | 0.799 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -12.4 | -178.2 | 31.9 | -35 | 0 | 0 | 0 | 113.6 | L71 L75 | L71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-L75 VanDerWaalsContact C-N 3.34Å; P73-L75 PolarHBondContact O-N 3.33Å |
| 74 | S | 83.1 | Confident | 85.3 | Confident | 104 Ų | 104 | 78.1 Ų | 78.1 | 73% | 0.727 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -22.3 | -175.2 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | D72 | D72-S74 PolarHBondContact O-N 3.36Š|
| 75 | L | 82.8 | Confident | 85.3 | Confident | 60 Ų | 60 | 74.1 Ų | 74.1 | 31% | 0.314 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -77.9 | 136.5 | -177.7 | -60.3 | 173.8 | 0 | 0 | 0 | 111.6 | F69 D72 P73 R77 K80 | F69-L75 HydrophobicContact CD2-CD1 3.37Å; F69-L75 HydrophobicContact CE2-CD1 3.4Å; F69-L75 VanDerWaalsContact CE2-CD1 3.4Å; F69-L75 HydrophobicContact CG-CD1 4.19Å; F69-L75 HydrophobicContact CZ-CD1 4.23Å; D72-L75 HydrophobicContact CB-CD1 4.37Å; D72-L75 HydrophobicContact CB-CG 4.47Å; P73-L75 VanDerWaalsContact C-N 3.34Å; P73-L75 PolarHBondContact O-N 3.33Å; L75-R77 PolarHBondContact O-N 2.59Å; L75-K80 HydrophobicContact CB-CD 4.38Å; L75-K80 HydrophobicContact CB-CG 3.92Å |
| 76 | Q | 85.6 | Confident | 85.3 | Confident | 142 Ų | 142 | 71.8 Ų | 71.8 | 66% | 0.664 | 39% | 0.387 | S | S | * | . | trans | -58.7 | 138.5 | 176.5 | -165.5 | 180 | 24.8 | 0 | 0 | 110.9 | A78 T79 K80 | Q76-A78 VanDerWaalsContact C-N 3.26Å; Q76-A78 PolarHBondContact O-N 2.7Å; Q76-T79 PolarHBondContact O-N 2.76Å; Q76-T79 VanDerWaalsContact O-N 3.08Å; Q76-K80 PolarHBondContact O-N 2.85Å | ||
| 77 | R | 85.2 | Confident | 85.4 | Confident | 165 Ų | 165 | 70.2 Ų | 70.2 | 62% | 0.623 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -54.3 | -40.9 | -178.6 | -62.6 | -179 | -172.7 | 171.5 | 4.9 | 112.6 | L75 K80 I81 E106 | L75-R77 PolarHBondContact O-N 2.59Å; R77-K80 WeakPolarHBondContact O-CB 3.03Å; R77-K80 PolarHBondContact O-N 2.73Å; R77-I81 WeakPolarHBondContact O-CD1 3.37Å; R77-I81 VanDerWaalsContact O-CG1 3.24Å; R77-I81 WeakPolarHBondContact O-CG1 3.44Å; R77-I81 PolarHBondContact O-N 3.19Å; R77-E106 WeakPolarHBondContact CD-O 3.44Å |
| 78 | A | 85.4 | Confident | 85.3 | Confident | 50 Ų | 50 | 67.3 Ų | 67.3 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q76 K80 I81 N82 | Q76-A78 VanDerWaalsContact C-N 3.26Å; Q76-A78 PolarHBondContact O-N 2.7Å; A78-K80 VanDerWaalsContact C-N 3.3Å; A78-K80 PolarHBondContact O-N 2.69Å; A78-I81 PolarHBondContact O-N 3.43Å; A78-N82 PolarHBondContact O-N 3.11Å; A78-N82 PolarHBondContact O-ND2 3.19Å |
| 79 | T | 86.8 | Confident | 85.1 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 176.2 | -48.5 | 0 | 0 | 0 | 0 | 111.5 | Q76 N82 G83 | Q76-T79 PolarHBondContact O-N 2.76Å; Q76-T79 VanDerWaalsContact O-N 3.08Å; T79-N82 PolarHBondContact O-N 3.5Å; T79-G83 PolarHBondContact O-N 3.46Å |
| 80 | K | 85.8 | Confident | 84.9 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 6% | 0.057 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64 | -46.4 | 175.1 | -68.6 | -162.2 | 177.5 | -162.7 | 0 | 113 | F69 D72 L75 Q76 R77 A78 N82 G83 I84 L110 | F69-K80 HydrophobicContact CE1-CB 4.4Å; F69-K80 HydrophobicContact CE1-CG 4.32Å; F69-K80 HydrophobicContact CZ-CB 4.44Å; F69-K80 HydrophobicContact CZ-CG 4.22Å; D72-K80 WeakPolarHBondContact O-CE 3.42Å; D72-K80 PolarHBondContact O-NZ 2.88Å; L75-K80 HydrophobicContact CB-CD 4.38Å; L75-K80 HydrophobicContact CB-CG 3.92Å; Q76-K80 PolarHBondContact O-N 2.85Å; R77-K80 WeakPolarHBondContact O-CB 3.03Å; R77-K80 PolarHBondContact O-N 2.73Å; A78-K80 VanDerWaalsContact C-N 3.3Å; A78-K80 PolarHBondContact O-N 2.69Å; K80-N82 VanDerWaalsContact C-N 3.33Å; K80-N82 PolarHBondContact O-N 2.77Å; K80-G83 PolarHBondContact O-N 2.85Å; K80-I84 WeakPolarHBondContact O-CB 3.48Å; K80-I84 WeakPolarHBondContact O-CG1 3.32Å; K80-I84 PolarHBondContact O-N 3.38Å; K80-L110 HydrophobicContact CB-CD1 4.17Å; K80-L110 HydrophobicContact CD-CD1 3.72Å |
| 81 | I | 86.8 | Confident | 84.6 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 21% | 0.205 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 177.6 | -66.8 | 159.1 | 0 | 0 | 0 | 109.9 | R77 A78 G85 V102 A105 E106 | R77-I81 WeakPolarHBondContact O-CD1 3.37Å; R77-I81 VanDerWaalsContact O-CG1 3.24Å; R77-I81 WeakPolarHBondContact O-CG1 3.44Å; R77-I81 PolarHBondContact O-N 3.19Å; A78-I81 PolarHBondContact O-N 3.43Å; I81-G85 PolarHBondContact O-N 3.23Å; I81-V102 HydrophobicContact CG2-CG1 4.21Å; I81-A105 HydrophobicContact CB-CB 4.45Å; I81-A105 HydrophobicContact CG1-CB 3.65Å; I81-E106 HydrophobicContact CD1-CB 4.39Å; I81-E106 HydrophobicContact CD1-CG 3.49Å; I81-E106 VanDerWaalsContact CD1-CG 3.49Å; I81-E106 HydrophobicContact CG1-CG 4.08Å |
| 82 | N | 87.3 | Confident | 84.3 | Confident | 103 Ų | 103 | 80.4 Ų | 80.4 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 179.5 | -69.5 | -23.3 | 0 | 0 | 0 | 112.2 | A78 T79 K80 I84 G85 Q86 | A78-N82 PolarHBondContact O-N 3.11Å; A78-N82 PolarHBondContact O-ND2 3.19Å; T79-N82 PolarHBondContact O-N 3.5Å; K80-N82 VanDerWaalsContact C-N 3.33Å; K80-N82 PolarHBondContact O-N 2.77Å; N82-I84 PolarHBondContact O-N 3.15Å; N82-G85 PolarHBondContact O-N 3.27Å; N82-Q86 WeakPolarHBondContact O-CB 3.4Å; N82-Q86 VanDerWaalsContact O-CG 3.32Å; N82-Q86 WeakPolarHBondContact O-CG 3.23Å; N82-Q86 PolarHBondContact O-N 2.94Å |
| 83 | G | 86.1 | Confident | 84 | Confident | 26 Ų | 26 | 78.1 Ų | 78.1 | 27% | 0.268 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T79 K80 A87 | T79-G83 PolarHBondContact O-N 3.46Å; K80-G83 PolarHBondContact O-N 2.85Å; G83-A87 WeakPolarHBondContact O-CB 3.47Å; G83-A87 PolarHBondContact O-N 3.29Å |
| 84 | I | 86.1 | Confident | 83.9 | Confident | 16 Ų | 16 | 74.3 Ų | 74.3 | 8% | 0.082 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.9 | -42.2 | 177.3 | -71.2 | 166.8 | 0 | 0 | 0 | 111.3 | F69 K80 N82 Q86 A87 L88 F101 A105 L110 | F69-I84 HydrophobicContact CE1-CD1 4.46Å; F69-I84 HydrophobicContact CE1-CG1 4.14Å; K80-I84 WeakPolarHBondContact O-CB 3.48Å; K80-I84 WeakPolarHBondContact O-CG1 3.32Å; K80-I84 PolarHBondContact O-N 3.38Å; N82-I84 PolarHBondContact O-N 3.15Å; I84-Q86 VanDerWaalsContact C-N 3.31Å; I84-Q86 PolarHBondContact O-N 3.19Å; I84-A87 PolarHBondContact O-N 3.28Å; I84-A87 VanDerWaalsContact O-N 3.16Å; I84-L88 HydrophobicContact CG2-CD1 3.6Å; I84-L88 HydrophobicContact CG2-CG 4.11Å; I84-L88 WeakPolarHBondContact O-CB 3.2Å; I84-L88 VanDerWaalsContact O-CG 3.27Å; I84-L88 WeakPolarHBondContact O-CG 3.46Å; I84-L88 PolarHBondContact O-N 3.49Å; I84-F101 HydrophobicContact CG2-CB 3.83Å; I84-F101 HydrophobicContact CG2-CG 4.49Å; I84-A105 HydrophobicContact CD1-CB 4.08Å; I84-L110 HydrophobicContact CD1-CD1 3.29Å; I84-L110 HydrophobicContact CD1-CD2 3.37Å; I84-L110 HydrophobicContact CD1-CG 3.93Å |
| 85 | G | 85.1 | Confident | 84 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -54.7 | -48.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I81 N82 A87 L88 D89 | I81-G85 PolarHBondContact O-N 3.23Å; N82-G85 PolarHBondContact O-N 3.27Å; G85-A87 PolarHBondContact O-N 3.1Å; G85-L88 PolarHBondContact O-N 2.87Å; G85-D89 WeakPolarHBondContact O-CB 3.32Å; G85-D89 PolarHBondContact O-N 3.05Å |
| 86 | Q | 85.6 | Confident | 84.2 | Confident | 127 Ų | 127 | 72.7 Ų | 72.7 | 59% | 0.593 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.7 | -39.8 | 176.4 | -71.1 | 178.7 | 5.9 | 0 | 0 | 113.1 | N82 I84 K90 | N82-Q86 WeakPolarHBondContact O-CB 3.4Å; N82-Q86 VanDerWaalsContact O-CG 3.32Å; N82-Q86 WeakPolarHBondContact O-CG 3.23Å; N82-Q86 PolarHBondContact O-N 2.94Å; I84-Q86 VanDerWaalsContact C-N 3.31Å; I84-Q86 PolarHBondContact O-N 3.19Å; Q86-K90 WeakPolarHBondContact O-CG 3.48Å; Q86-K90 PolarHBondContact O-N 3.07Å |
| 87 | A | 84.6 | Confident | 84.4 | Confident | 34 Ų | 34 | 66 Ų | 66 | 28% | 0.281 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G83 I84 G85 K90 L91 | G83-A87 WeakPolarHBondContact O-CB 3.47Å; G83-A87 PolarHBondContact O-N 3.29Å; I84-A87 PolarHBondContact O-N 3.28Å; I84-A87 VanDerWaalsContact O-N 3.16Å; G85-A87 PolarHBondContact O-N 3.1Å; A87-K90 PolarHBondContact O-N 3.18Å; A87-L91 PolarHBondContact O-N 2.97Å |
| 88 | L | 83.5 | Confident | 84.6 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -73 | -35.2 | 179.1 | -68.3 | 175.1 | 0 | 0 | 0 | 112.6 | I56 I84 G85 K90 L91 K92 V93 F101 | I56-L88 HydrophobicContact CD1-CD2 3.67Å; I56-L88 HydrophobicContact CG1-CD2 4.15Å; I84-L88 HydrophobicContact CG2-CD1 3.6Å; I84-L88 HydrophobicContact CG2-CG 4.11Å; I84-L88 WeakPolarHBondContact O-CB 3.2Å; I84-L88 VanDerWaalsContact O-CG 3.27Å; I84-L88 WeakPolarHBondContact O-CG 3.46Å; I84-L88 PolarHBondContact O-N 3.49Å; G85-L88 PolarHBondContact O-N 2.87Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.41Å; L88-L91 CarbonylContact O-C 3.58Å; L88-L91 PolarHBondContact O-N 3.22Å; L88-L91 VanDerWaalsContact O-N 3.1Å; L88-K92 PolarHBondContact O-N 3.12Å; L88-K92 VanDerWaalsContact O-N 3.13Å; L88-V93 HydrophobicContact CB-CG2 3.81Å; L88-V93 HydrophobicContact CD2-CG1 4.29Å; L88-V93 HydrophobicContact CD2-CG2 4.17Å; L88-V93 HydrophobicContact CG-CG2 4.44Å; L88-F101 HydrophobicContact CD1-CB 3.39Å; L88-F101 HydrophobicContact CD1-CD2 3.91Å; L88-F101 HydrophobicContact CD1-CG 3.75Å; L88-F101 HydrophobicContact CD2-CD2 4.25Å |
| 89 | D | 82.7 | Confident | 84.8 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 46% | 0.46 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 175.3 | -72.9 | -25.5 | 0 | 0 | 0 | 111.6 | G85 L91 K92 K98 | G85-D89 WeakPolarHBondContact O-CB 3.32Å; G85-D89 PolarHBondContact O-N 3.05Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 3.36Å; D89-K92 PolarHBondContact O-N 3.01Å; D89-K98 VanDerWaalsContact CG-NZ 3.3Å; D89-K98 WeakPolarHBondContact OD1-CE 3.4Å; D89-K98 IonicContact OD1-NZ 3.7Å; D89-K98 PolarHBondContact OD1-NZ 3.49Å; D89-K98 IonicContact OD2-NZ 2.59Å; D89-K98 PolarHBondContact OD2-NZ 2.89Å; D89-K98 VanDerWaalsContact OD2-NZ 3.15Å |
| 90 | K | 81.2 | Confident | 85 | Confident | 174 Ų | 174 | 59.6 Ų | 59.6 | 76% | 0.757 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.2 | -35.4 | 172.1 | -72.2 | 175 | -178 | -179.7 | 0 | 112.6 | Q86 A87 L88 K92 | Q86-K90 WeakPolarHBondContact O-CG 3.48Å; Q86-K90 PolarHBondContact O-N 3.07Å; A87-K90 PolarHBondContact O-N 3.18Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.41Å; K90-K92 VanDerWaalsContact C-N 3.29Å |
| 91 | L | 78 | Confident | 85.2 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -80.2 | -7.4 | 179.1 | -67.4 | 175.8 | 0 | 0 | 0 | 113.4 | I56 T59 A87 L88 D89 V93 | I56-L91 HydrophobicContact CG1-CD1 4.37Å; T59-L91 HydrophobicContact CG2-CD1 4.38Å; T59-L91 HydrophobicContact CG2-CD2 4.33Å; A87-L91 PolarHBondContact O-N 2.97Å; L88-L91 CarbonylContact O-C 3.58Å; L88-L91 PolarHBondContact O-N 3.22Å; L88-L91 VanDerWaalsContact O-N 3.1Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 3.36Å; L91-V93 VanDerWaalsContact C-N 3.3Å; L91-V93 HydrophobicContact CB-CG1 3.84Å; L91-V93 PolarHBondContact O-N 3.38Å |
| 92 | K | 79.3 | Confident | 85.4 | Confident | 190 Ų | 190 | 58.8 Ų | 58.8 | 83% | 0.826 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 45 | -178.6 | -60 | -177.5 | 179.3 | 179.8 | 0 | 113 | L88 D89 K90 | L88-K92 PolarHBondContact O-N 3.12Å; L88-K92 VanDerWaalsContact O-N 3.13Å; D89-K92 PolarHBondContact O-N 3.01Å; K90-K92 VanDerWaalsContact C-N 3.29Å |
| 93 | V | 78.8 | Confident | 85.5 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | trans | -74.6 | 159.8 | -179.9 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | D52 I56 L88 L91 T97 K98 | D52-V93 HydrophobicContact CB-CB 4.43Å; D52-V93 HydrophobicContact CB-CG1 4.36Å; I56-V93 HydrophobicContact CD1-CG1 4.23Å; L88-V93 HydrophobicContact CB-CG2 3.81Å; L88-V93 HydrophobicContact CD2-CG1 4.29Å; L88-V93 HydrophobicContact CD2-CG2 4.17Å; L88-V93 HydrophobicContact CG-CG2 4.44Å; L91-V93 VanDerWaalsContact C-N 3.3Å; L91-V93 HydrophobicContact CB-CG1 3.84Å; L91-V93 PolarHBondContact O-N 3.38Å; V93-T97 HydrophobicContact CB-CG2 4.49Å; V93-K98 HydrophobicContact CG2-CB 4.21Å | ||
| 94 | N | 82.3 | Confident | 85.7 | Confident | 42 Ų | 42 | 56.1 Ų | 56.1 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | trans | -65.5 | 156 | 175.5 | -165.2 | 9.2 | 0 | 0 | 0 | 112.5 | I49 D52 A96 T97 K98 | I49-N94 HydrophobicContact CG1-CB 4.44Å; D52-N94 WeakPolarHBondContact OD2-CB 3.4Å; D52-N94 PolarHBondContact OD2-N 2.98Å; N94-A96 PolarHBondContact O-N 3.48Å; N94-T97 WeakPolarHBondContact O-CB 3.28Å; N94-T97 PolarHBondContact O-N 2.91Å; N94-T97 VanDerWaalsContact O-N 3.15Å; N94-K98 PolarHBondContact O-N 2.79Å | ||
| 95 | E | 85.9 | Confident | 85.9 | Confident | 125 Ų | 125 | 55.4 Ų | 55.4 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.6 | -43.1 | -177.4 | -170.3 | -173.6 | 173.7 | 0 | 0 | 112.2 | T97 K98 N99 | E95-T97 VanDerWaalsContact C-N 3.32Å; E95-T97 PolarHBondContact O-N 2.95Å; E95-K98 PolarHBondContact O-N 3.14Å; E95-N99 WeakPolarHBondContact O-CB 3.39Å; E95-N99 PolarHBondContact O-N 3.39Å; E95-N99 PolarHBondContact O-ND2 2.91Å |
| 96 | A | 86.9 | Confident | 86 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I49 N94 L100 | I49-A96 HydrophobicContact CD1-CB 3.69Å; I49-A96 HydrophobicContact CG1-CB 4.38Å; N94-A96 PolarHBondContact O-N 3.48Å; A96-L100 PolarHBondContact O-N 3.28Å; A96-L100 VanDerWaalsContact O-N 3.11Å |
| 97 | T | 88.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.8 | -48.7 | 176.5 | -47.3 | 0 | 0 | 0 | 0 | 109.8 | D52 I53 I56 V93 N94 E95 N99 L100 F101 | D52-T97 HydrophobicContact CB-CG2 3.99Å; D52-T97 PolarHBondContact OD2-OG1 3.35Å; I53-T97 HydrophobicContact CG1-CG2 4.44Å; I56-T97 HydrophobicContact CD1-CG2 3.66Å; V93-T97 HydrophobicContact CB-CG2 4.49Å; N94-T97 WeakPolarHBondContact O-CB 3.28Å; N94-T97 PolarHBondContact O-N 2.91Å; N94-T97 VanDerWaalsContact O-N 3.15Å; E95-T97 VanDerWaalsContact C-N 3.32Å; E95-T97 PolarHBondContact O-N 2.95Å; T97-N99 VanDerWaalsContact C-N 3.32Å; T97-N99 PolarHBondContact O-N 3.13Å; T97-L100 PolarHBondContact O-N 2.93Å; T97-F101 HydrophobicContact CG2-CD2 4.07Å; T97-F101 HydrophobicContact CG2-CE2 3.85Å; T97-F101 VanDerWaalsContact O-CD2 3.27Å; T97-F101 WeakPolarHBondContact O-CD2 3.32Å; T97-F101 PolarHBondContact O-N 3.42Å |
| 98 | K | 89.8 | Confident | 86.3 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.2 | -47.3 | 176.4 | -174.1 | 175.2 | 179.6 | 170.3 | 0 | 111.8 | D89 V93 N94 E95 L100 F101 V102 | D89-K98 VanDerWaalsContact CG-NZ 3.3Å; D89-K98 WeakPolarHBondContact OD1-CE 3.4Å; D89-K98 IonicContact OD1-NZ 3.7Å; D89-K98 PolarHBondContact OD1-NZ 3.49Å; D89-K98 IonicContact OD2-NZ 2.59Å; D89-K98 PolarHBondContact OD2-NZ 2.89Å; D89-K98 VanDerWaalsContact OD2-NZ 3.15Å; V93-K98 HydrophobicContact CG2-CB 4.21Å; N94-K98 PolarHBondContact O-N 2.79Å; E95-K98 PolarHBondContact O-N 3.14Å; K98-L100 VanDerWaalsContact C-N 3.34Å; K98-L100 PolarHBondContact O-N 3.31Å; K98-F101 PolarHBondContact O-N 3.4Å; K98-V102 HydrophobicContact CG-CG2 4.47Å; K98-V102 WeakPolarHBondContact O-CG2 3.45Å; K98-V102 PolarHBondContact O-N 3.07Å |
| 99 | N | 90.4 | Very high | 86.5 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 179.9 | -69.7 | -14.4 | 0 | 0 | 0 | 112.2 | E95 T97 F101 V102 I103 | E95-N99 WeakPolarHBondContact O-CB 3.39Å; E95-N99 PolarHBondContact O-N 3.39Å; E95-N99 PolarHBondContact O-ND2 2.91Å; T97-N99 VanDerWaalsContact C-N 3.32Å; T97-N99 PolarHBondContact O-N 3.13Å; N99-F101 PolarHBondContact O-N 3.47Å; N99-V102 PolarHBondContact O-N 3.39Å; N99-I103 WeakPolarHBondContact O-CD1 3.45Å; N99-I103 WeakPolarHBondContact O-CG1 3.18Å; N99-I103 PolarHBondContact O-N 3.15Å |
| 100 | L | 90.6 | Very high | 86.7 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.5 | 174 | 132 | 0 | 0 | 0 | 111.7 | L36 A96 T97 K98 I103 L104 V116 | L36-L100 HydrophobicContact CB-CD1 3.62Å; L36-L100 HydrophobicContact CD1-CB 4.01Å; L36-L100 HydrophobicContact CD1-CD1 3.87Å; L36-L100 HydrophobicContact CD1-CG 4.5Å; L36-L100 HydrophobicContact CD2-CD1 3.95Å; L36-L100 HydrophobicContact CG-CD1 4Å; A96-L100 PolarHBondContact O-N 3.28Å; A96-L100 VanDerWaalsContact O-N 3.11Å; T97-L100 PolarHBondContact O-N 2.93Å; K98-L100 VanDerWaalsContact C-N 3.34Å; K98-L100 PolarHBondContact O-N 3.31Å; L100-I103 PolarHBondContact O-N 3.05Å; L100-L104 HydrophobicContact CD2-CD1 3.63Å; L100-L104 HydrophobicContact CG-CD1 4.1Å; L100-L104 WeakPolarHBondContact O-CB 3.46Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 2.72Å; L100-V116 HydrophobicContact CD1-CG1 4.4Å |
| 101 | F | 89.7 | Confident | 86.9 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.1 | -36.2 | -179.8 | -80.7 | -79 | 0 | 0 | 0 | 113 | I56 I84 L88 T97 K98 N99 L104 A105 I113 | I56-F101 HydrophobicContact CB-CZ 4.35Å; I56-F101 HydrophobicContact CD1-CD2 4.08Å; I56-F101 HydrophobicContact CD1-CE2 3.34Å; I56-F101 HydrophobicContact CD1-CZ 3.82Å; I56-F101 HydrophobicContact CG2-CE1 4.08Å; I56-F101 HydrophobicContact CG2-CE2 4.24Å; I56-F101 HydrophobicContact CG2-CZ 3.55Å; I84-F101 HydrophobicContact CG2-CB 3.83Å; I84-F101 HydrophobicContact CG2-CG 4.49Å; L88-F101 HydrophobicContact CD1-CB 3.39Å; L88-F101 HydrophobicContact CD1-CD2 3.91Å; L88-F101 HydrophobicContact CD1-CG 3.75Å; L88-F101 HydrophobicContact CD2-CD2 4.25Å; T97-F101 HydrophobicContact CG2-CD2 4.07Å; T97-F101 HydrophobicContact CG2-CE2 3.85Å; T97-F101 VanDerWaalsContact O-CD2 3.27Å; T97-F101 WeakPolarHBondContact O-CD2 3.32Å; T97-F101 PolarHBondContact O-N 3.42Å; K98-F101 PolarHBondContact O-N 3.4Å; N99-F101 PolarHBondContact O-N 3.47Å; F101-L104 PolarHBondContact O-N 3.17Å; F101-A105 WeakPolarHBondContact O-CB 3.4Å; F101-A105 PolarHBondContact O-N 3.21Å; F101-I113 HydrophobicContact CD1-CD1 3.99Å; F101-I113 HydrophobicContact CD1-CG1 4.4Å; F101-I113 HydrophobicContact CE1-CD1 3.78Å; F101-I113 HydrophobicContact CE1-CG1 3.99Å; F101-I113 HydrophobicContact CE1-CG2 3.84Å; F101-I113 HydrophobicContact CZ-CG2 4.31Å |
| 102 | V | 89.8 | Confident | 87.4 | Confident | 29 Ų | 29 | 51.4 Ų | 51.4 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 173 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | I81 K98 N99 L104 A105 E106 | I81-V102 HydrophobicContact CG2-CG1 4.21Å; K98-V102 HydrophobicContact CG-CG2 4.47Å; K98-V102 WeakPolarHBondContact O-CG2 3.45Å; K98-V102 PolarHBondContact O-N 3.07Å; N99-V102 PolarHBondContact O-N 3.39Å; V102-L104 VanDerWaalsContact C-N 3.3Å; V102-L104 PolarHBondContact O-N 3.2Å; V102-A105 WeakPolarHBondContact O-CB 3.27Å; V102-A105 PolarHBondContact O-N 2.75Å; V102-A105 VanDerWaalsContact O-N 3.09Å; V102-E106 HydrophobicContact CG1-CG 4.35Å; V102-E106 WeakPolarHBondContact O-CG 3.34Å; V102-E106 PolarHBondContact O-N 3.47Å |
| 103 | I | 91.1 | Very high | 87.9 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.3 | -36.8 | 178.9 | -63.3 | 163.7 | 0 | 0 | 0 | 110.9 | Y32 N99 L100 A105 N107 | Y32-I103 HydrophobicContact CE1-CG2 3.83Å; N99-I103 WeakPolarHBondContact O-CD1 3.45Å; N99-I103 WeakPolarHBondContact O-CG1 3.18Å; N99-I103 PolarHBondContact O-N 3.15Å; L100-I103 PolarHBondContact O-N 3.05Å; I103-A105 VanDerWaalsContact C-N 3.34Å; I103-N107 VanDerWaalsContact CG2-ND2 3.29Å; I103-N107 WeakPolarHBondContact CG2-ND2 3.42Å; I103-N107 WeakPolarHBondContact O-CB 3.38Å; I103-N107 PolarHBondContact O-N 2.73Å; I103-N107 PolarHBondContact O-ND2 2.84Å |
| 104 | L | 90.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 174.2 | -74.5 | 173.5 | 0 | 0 | 0 | 111.8 | Y32 L100 F101 V102 G108 R109 L110 I113 V116 | Y32-L104 HydrophobicContact CD1-CD2 3.95Å; Y32-L104 HydrophobicContact CD1-CG 4.47Å; Y32-L104 HydrophobicContact CD2-CD2 3.75Å; Y32-L104 HydrophobicContact CE1-CD2 3.96Å; Y32-L104 HydrophobicContact CE2-CD2 3.76Å; Y32-L104 HydrophobicContact CG-CD2 3.86Å; L100-L104 HydrophobicContact CD2-CD1 3.63Å; L100-L104 HydrophobicContact CG-CD1 4.1Å; L100-L104 WeakPolarHBondContact O-CB 3.46Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 2.72Å; F101-L104 PolarHBondContact O-N 3.17Å; V102-L104 VanDerWaalsContact C-N 3.3Å; V102-L104 PolarHBondContact O-N 3.2Å; L104-G108 PolarHBondContact O-N 2.67Å; L104-G108 VanDerWaalsContact O-N 3.17Å; L104-R109 HydrophobicContact CD2-CB 4.05Å; L104-R109 PolarHBondContact O-N 3.33Å; L104-L110 HydrophobicContact CB-CD2 3.92Å; L104-I113 HydrophobicContact CD1-CG1 4.01Å; L104-V116 HydrophobicContact CD2-CG2 4.46Å |
| 105 | A | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I81 I84 F101 V102 I103 N107 G108 L110 | I81-A105 HydrophobicContact CB-CB 4.45Å; I81-A105 HydrophobicContact CG1-CB 3.65Å; I84-A105 HydrophobicContact CD1-CB 4.08Å; F101-A105 WeakPolarHBondContact O-CB 3.4Å; F101-A105 PolarHBondContact O-N 3.21Å; V102-A105 WeakPolarHBondContact O-CB 3.27Å; V102-A105 PolarHBondContact O-N 2.75Å; V102-A105 VanDerWaalsContact O-N 3.09Å; I103-A105 VanDerWaalsContact C-N 3.34Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 2.95Å; A105-G108 PolarHBondContact O-N 3.35Å; A105-G108 VanDerWaalsContact O-N 3.07Å; A105-L110 HydrophobicContact CB-CD1 3.82Å; A105-L110 HydrophobicContact CB-CD2 4.05Å; A105-L110 HydrophobicContact CB-CG 4.18Å |
| 106 | E | 88.6 | Confident | 89.2 | Confident | 93 Ų | 93 | 39.4 Ų | 39.4 | 44% | 0.435 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59 | -43.5 | 176.3 | -75.1 | 174.6 | 173.8 | 0 | 0 | 112.3 | R77 I81 V102 G108 | R77-E106 WeakPolarHBondContact CD-O 3.44Å; I81-E106 HydrophobicContact CD1-CB 4.39Å; I81-E106 HydrophobicContact CD1-CG 3.49Å; I81-E106 VanDerWaalsContact CD1-CG 3.49Å; I81-E106 HydrophobicContact CG1-CG 4.08Å; V102-E106 HydrophobicContact CG1-CG 4.35Å; V102-E106 WeakPolarHBondContact O-CG 3.34Å; V102-E106 PolarHBondContact O-N 3.47Å; E106-G108 PolarHBondContact O-N 3.42Å |
| 107 | N | 89 | Confident | 89.4 | Confident | 73 Ų | 73 | 39.4 Ų | 39.4 | 39% | 0.39 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.8 | 178.8 | -72.1 | -65.3 | 0 | 0 | 0 | 113.2 | Y32 I103 A105 R109 | Y32-N107 PolarHBondContact OH-ND2 2.93Å; Y32-N107 VanDerWaalsContact OH-ND2 3.16Å; I103-N107 VanDerWaalsContact CG2-ND2 3.29Å; I103-N107 WeakPolarHBondContact CG2-ND2 3.42Å; I103-N107 WeakPolarHBondContact O-CB 3.38Å; I103-N107 PolarHBondContact O-N 2.73Å; I103-N107 PolarHBondContact O-ND2 2.84Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 2.95Å; N107-R109 VanDerWaalsContact C-N 3.28Å; N107-R109 HydrophobicContact CB-CG 4.08Å; N107-R109 PolarHBondContact O-N 3.28Å |
| 108 | G | 85.8 | Confident | 89.6 | Confident | 41 Ų | 41 | 42.6 Ų | 42.6 | 42% | 0.423 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 26.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L104 A105 E106 | L104-G108 PolarHBondContact O-N 2.67Å; L104-G108 VanDerWaalsContact O-N 3.17Å; A105-G108 PolarHBondContact O-N 3.35Å; A105-G108 VanDerWaalsContact O-N 3.07Å; E106-G108 PolarHBondContact O-N 3.42Å |
| 109 | R | 87.9 | Confident | 89.7 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | trans | -103.5 | 20.1 | -174.8 | -62.6 | -179.3 | -171.8 | 163.1 | -2.5 | 113.6 | Y32 L104 N107 S111 K112 | Y32-R109 WeakPolarHBondContact OH-CD 3.49Å; Y32-R109 PolarHBondContact OH-NH1 2.93Å; L104-R109 HydrophobicContact CD2-CB 4.05Å; L104-R109 PolarHBondContact O-N 3.33Å; N107-R109 VanDerWaalsContact C-N 3.28Å; N107-R109 HydrophobicContact CB-CG 4.08Å; N107-R109 PolarHBondContact O-N 3.28Å; R109-S111 PolarHBondContact O-N 3.48Å; R109-K112 PolarHBondContact O-N 2.93Å; R109-K112 VanDerWaalsContact O-N 3.1Å | ||
| 110 | L | 86.4 | Confident | 89.8 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -63 | -27.8 | -179 | -66.7 | 165.8 | 0 | 0 | 0 | 113.4 | C70 K80 I84 L104 A105 K112 I113 | C70-L110 HydrophobicContact CB-CB 4.3Å; K80-L110 HydrophobicContact CB-CD1 4.17Å; K80-L110 HydrophobicContact CD-CD1 3.72Å; I84-L110 HydrophobicContact CD1-CD1 3.29Å; I84-L110 HydrophobicContact CD1-CD2 3.37Å; I84-L110 HydrophobicContact CD1-CG 3.93Å; L104-L110 HydrophobicContact CB-CD2 3.92Å; A105-L110 HydrophobicContact CB-CD1 3.82Å; A105-L110 HydrophobicContact CB-CD2 4.05Å; A105-L110 HydrophobicContact CB-CG 4.18Å; L110-K112 PolarHBondContact O-N 3.25Å; L110-K112 VanDerWaalsContact O-N 3.1Å; L110-I113 HydrophobicContact CB-CD1 3.99Å; L110-I113 HydrophobicContact CD2-CD1 3.49Å; L110-I113 VanDerWaalsContact CD2-CD1 3.49Å; L110-I113 HydrophobicContact CD2-CG1 4.27Å; L110-I113 HydrophobicContact CG-CD1 4.37Å; L110-I113 WeakPolarHBondContact O-CB 3.34Å; L110-I113 VanDerWaalsContact O-CD1 3.28Å; L110-I113 WeakPolarHBondContact O-CD1 3.42Å; L110-I113 WeakPolarHBondContact O-CG1 3.5Å; L110-I113 PolarHBondContact O-N 2.79Å; L110-I113 VanDerWaalsContact O-N 3.12Å |
| 111 | S | 86.9 | Confident | 89.8 | Confident | 64 Ų | 64 | 41.3 Ų | 41.3 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -59.6 | -22.7 | 174.8 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | C70 R109 | C70-S111 PolarHBondContact O-N 2.85Å; R109-S111 PolarHBondContact O-N 3.48Å |
| 112 | K | 87.9 | Confident | 89.8 | Confident | 76 Ų | 76 | 45.6 Ų | 45.6 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -97.9 | 8.3 | -178.1 | -65.7 | 176.8 | 161.4 | -135.8 | 0 | 113.5 | E29 R109 L110 N114 S115 V116 | E29-K112 HydrophobicContact CG-CB 4.34Å; E29-K112 VanDerWaalsContact OE1-CD 3.29Å; E29-K112 WeakPolarHBondContact OE1-CD 3.35Å; E29-K112 WeakPolarHBondContact OE1-CE 3.26Å; E29-K112 IonicContact OE1-NZ 2.65Å; E29-K112 PolarHBondContact OE1-NZ 3.35Å; R109-K112 PolarHBondContact O-N 2.93Å; R109-K112 VanDerWaalsContact O-N 3.1Å; L110-K112 PolarHBondContact O-N 3.25Å; L110-K112 VanDerWaalsContact O-N 3.1Å; K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 2.8Å; K112-S115 PolarHBondContact O-N 2.82Å; K112-S115 VanDerWaalsContact O-N 3.15Å; K112-V116 WeakPolarHBondContact O-CG2 3.5Å; K112-V116 PolarHBondContact O-N 3.22Å |
| 113 | I | 89.9 | Confident | 89.9 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.1 | -48 | -178 | -78.1 | 164.1 | 0 | 0 | 0 | 111.5 | L60 F101 L104 L110 S115 V116 I117 | L60-I113 HydrophobicContact CD1-CG2 3.61Å; F101-I113 HydrophobicContact CD1-CD1 3.99Å; F101-I113 HydrophobicContact CD1-CG1 4.4Å; F101-I113 HydrophobicContact CE1-CD1 3.78Å; F101-I113 HydrophobicContact CE1-CG1 3.99Å; F101-I113 HydrophobicContact CE1-CG2 3.84Å; F101-I113 HydrophobicContact CZ-CG2 4.31Å; L104-I113 HydrophobicContact CD1-CG1 4.01Å; L110-I113 HydrophobicContact CB-CD1 3.99Å; L110-I113 HydrophobicContact CD2-CD1 3.49Å; L110-I113 VanDerWaalsContact CD2-CD1 3.49Å; L110-I113 HydrophobicContact CD2-CG1 4.27Å; L110-I113 HydrophobicContact CG-CD1 4.37Å; L110-I113 WeakPolarHBondContact O-CB 3.34Å; L110-I113 VanDerWaalsContact O-CD1 3.28Å; L110-I113 WeakPolarHBondContact O-CD1 3.42Å; L110-I113 WeakPolarHBondContact O-CG1 3.5Å; L110-I113 PolarHBondContact O-N 2.79Å; L110-I113 VanDerWaalsContact O-N 3.12Å; I113-S115 VanDerWaalsContact C-N 3.27Å; I113-S115 PolarHBondContact O-N 3.35Å; I113-V116 WeakPolarHBondContact O-CB 3.45Å; I113-V116 PolarHBondContact O-N 3.08Å; I113-I117 HydrophobicContact CG2-CD1 3.62Å; I113-I117 HydrophobicContact CG2-CG1 4.2Å; I113-I117 WeakPolarHBondContact O-CG1 3.43Å; I113-I117 PolarHBondContact O-N 2.91Å |
| 114 | N | 89.9 | Confident | 89.8 | Confident | 58 Ų | 58 | 40.9 Ų | 40.9 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.1 | -44.1 | -178.1 | -68.5 | -27.5 | 0 | 0 | 0 | 111.4 | K112 I117 D118 | K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 2.8Å; N114-I117 WeakPolarHBondContact O-CB 3.29Å; N114-I117 PolarHBondContact O-N 3.36Å; N114-D118 VanDerWaalsContact O-CG 3.27Å; N114-D118 PolarHBondContact O-N 3.37Å |
| 115 | S | 91.6 | Very high | 89.7 | Confident | 58 Ų | 58 | 42.4 Ų | 42.4 | 41% | 0.406 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.7 | -34.7 | 178.1 | -52.8 | 0 | 0 | 0 | 0 | 112.8 | K112 I113 I117 K119 | K112-S115 PolarHBondContact O-N 2.82Å; K112-S115 VanDerWaalsContact O-N 3.15Å; I113-S115 VanDerWaalsContact C-N 3.27Å; I113-S115 PolarHBondContact O-N 3.35Å; S115-I117 VanDerWaalsContact C-N 3.35Å; S115-K119 WeakPolarHBondContact O-CG 3.33Å; S115-K119 PolarHBondContact O-N 3.05Å |
| 116 | V | 92.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 172.6 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | E29 L100 L104 K112 I113 K119 F120 | E29-V116 HydrophobicContact CB-CG2 3.96Å; E29-V116 HydrophobicContact CG-CG2 4.22Å; L100-V116 HydrophobicContact CD1-CG1 4.4Å; L104-V116 HydrophobicContact CD2-CG2 4.46Å; K112-V116 WeakPolarHBondContact O-CG2 3.5Å; K112-V116 PolarHBondContact O-N 3.22Å; I113-V116 WeakPolarHBondContact O-CB 3.45Å; I113-V116 PolarHBondContact O-N 3.08Å; V116-K119 PolarHBondContact O-N 2.98Å; V116-F120 WeakPolarHBondContact O-CB 3.5Å; V116-F120 PolarHBondContact O-N 2.89Å |
| 117 | I | 92.3 | Very high | 89.3 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 177.9 | -68.1 | 172.9 | 0 | 0 | 0 | 110.4 | I53 K57 I113 N114 S115 K119 F120 E121 | I53-I117 HydrophobicContact CG2-CB 4.23Å; I53-I117 HydrophobicContact CG2-CG1 3.98Å; I53-I117 HydrophobicContact CG2-CG2 3.6Å; K57-I117 HydrophobicContact CB-CD1 4.3Å; K57-I117 HydrophobicContact CB-CG2 4.27Å; K57-I117 HydrophobicContact CD-CG2 3.78Å; K57-I117 HydrophobicContact CG-CG2 4.18Å; I113-I117 HydrophobicContact CG2-CD1 3.62Å; I113-I117 HydrophobicContact CG2-CG1 4.2Å; I113-I117 WeakPolarHBondContact O-CG1 3.43Å; I113-I117 PolarHBondContact O-N 2.91Å; N114-I117 WeakPolarHBondContact O-CB 3.29Å; N114-I117 PolarHBondContact O-N 3.36Å; S115-I117 VanDerWaalsContact C-N 3.35Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 2.92Å; I117-F120 WeakPolarHBondContact O-CB 3.22Å; I117-F120 PolarHBondContact O-N 3.43Å; I117-F120 VanDerWaalsContact O-N 3.08Å; I117-E121 PolarHBondContact O-N 3.44Å |
| 118 | D | 91.7 | Very high | 89.1 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 179.5 | -63.6 | -28.6 | 0 | 0 | 0 | 111.7 | K57 N114 E121 Q122 | K57-D118 IonicContact NZ-OD1 2.76Å; K57-D118 PolarHBondContact NZ-OD1 2.94Å; N114-D118 VanDerWaalsContact O-CG 3.27Å; N114-D118 PolarHBondContact O-N 3.37Å; D118-E121 PolarHBondContact O-N 2.86Å; D118-Q122 WeakPolarHBondContact O-CG 3.32Å; D118-Q122 PolarHBondContact O-N 3.47Å |
| 119 | K | 92.7 | Very high | 88.9 | Confident | 66 Ų | 66 | 45.3 Ų | 45.3 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.4 | -36.1 | 173 | -68.9 | -45.2 | -173.2 | -173.6 | 0 | 112.8 | V25 E29 A33 S115 V116 I117 Q122 I123 | V25-K119 HydrophobicContact CB-CD 4.49Å; V25-K119 HydrophobicContact CG1-CB 4.43Å; V25-K119 HydrophobicContact CG1-CD 4.24Å; E29-K119 HydrophobicContact CB-CG 4.18Å; A33-K119 HydrophobicContact CB-CB 3.92Å; S115-K119 WeakPolarHBondContact O-CG 3.33Å; S115-K119 PolarHBondContact O-N 3.05Å; V116-K119 PolarHBondContact O-N 2.98Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 2.92Å; K119-Q122 VanDerWaalsContact NZ-OE1 3.09Å; K119-Q122 WeakPolarHBondContact O-CB 3.41Å; K119-Q122 PolarHBondContact O-N 3.24Å; K119-I123 WeakPolarHBondContact O-CG1 3.49Å; K119-I123 PolarHBondContact O-N 3.27Å; K119-I123 VanDerWaalsContact O-N 3.14Å |
| 120 | F | 92.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.7 | -41.5 | 175.5 | -177.4 | -98.8 | 0 | 0 | 0 | 111.9 | A33 L36 I49 I53 V116 I117 Q122 I123 M124 | A33-F120 HydrophobicContact CB-CB 4.22Å; L36-F120 HydrophobicContact CB-CD2 4.36Å; L36-F120 HydrophobicContact CB-CE2 4.38Å; L36-F120 HydrophobicContact CD2-CD1 4.3Å; L36-F120 HydrophobicContact CD2-CD2 3.31Å; L36-F120 HydrophobicContact CD2-CE1 4.36Å; L36-F120 HydrophobicContact CD2-CE2 3.39Å; L36-F120 HydrophobicContact CD2-CG 3.79Å; L36-F120 HydrophobicContact CD2-CZ 3.93Å; L36-F120 HydrophobicContact CG-CD2 4.09Å; L36-F120 HydrophobicContact CG-CE2 3.84Å; I49-F120 HydrophobicContact CG2-CE1 4.39Å; I49-F120 HydrophobicContact CG2-CZ 3.95Å; I53-F120 HydrophobicContact CD1-CD1 3.36Å; I53-F120 HydrophobicContact CD1-CD2 4.48Å; I53-F120 HydrophobicContact CD1-CE1 3.4Å; I53-F120 HydrophobicContact CD1-CG 3.93Å; I53-F120 HydrophobicContact CD1-CZ 4Å; I53-F120 HydrophobicContact CG2-CD1 4.4Å; V116-F120 WeakPolarHBondContact O-CB 3.5Å; V116-F120 PolarHBondContact O-N 2.89Å; I117-F120 WeakPolarHBondContact O-CB 3.22Å; I117-F120 PolarHBondContact O-N 3.43Å; I117-F120 VanDerWaalsContact O-N 3.08Å; F120-Q122 VanDerWaalsContact C-N 3.3Å; F120-Q122 PolarHBondContact O-N 3.26Å; F120-I123 PolarHBondContact O-N 2.98Å; F120-I123 VanDerWaalsContact O-N 3.13Å; F120-M124 HydrophobicContact CD1-CG 3.98Å; F120-M124 HydrophobicContact CE1-CG 3.48Å; F120-M124 VanDerWaalsContact CE1-CG 3.48Å; F120-M124 HydrophobicContact CE1-SD 4.15Å; F120-M124 HydrophobicContact CE2-CG 4.38Å; F120-M124 HydrophobicContact CE2-SD 4.47Å; F120-M124 HydrophobicContact CZ-CG 3.73Å; F120-M124 HydrophobicContact CZ-SD 3.82Å; F120-M124 WeakPolarHBondContact O-CG 3.38Å; F120-M124 PolarHBondContact O-N 3.18Å |
| 121 | E | 90.8 | Very high | 88.6 | Confident | 57 Ų | 57 | 44 Ų | 44 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.9 | -43.5 | 172.7 | -73.5 | 174.2 | -171.1 | 0 | 0 | 111.1 | K57 I117 D118 I123 M124 T125 | K57-E121 WeakPolarHBondContact CD-OE1 3.34Å; K57-E121 IonicContact NZ-OE1 3.15Å; K57-E121 PolarHBondContact NZ-OE1 3.26Å; K57-E121 IonicContact NZ-OE2 2.74Å; K57-E121 PolarHBondContact NZ-OE2 3.43Å; I117-E121 PolarHBondContact O-N 3.44Å; D118-E121 PolarHBondContact O-N 2.86Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 2.91Å; E121-M124 PolarHBondContact O-N 3.47Å; E121-M124 VanDerWaalsContact O-N 3.12Å; E121-T125 PolarHBondContact O-N 3.29Å; E121-T125 PolarHBondContact O-OG1 2.82Å; E121-T125 VanDerWaalsContact O-OG1 3.11Å |
| 122 | Q | 89.9 | Confident | 88.5 | Confident | 97 Ų | 97 | 45.1 Ų | 45.1 | 45% | 0.453 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 174.3 | -72.7 | 176.5 | -2.8 | 0 | 0 | 112.8 | D118 K119 F120 A126 | D118-Q122 WeakPolarHBondContact O-CG 3.32Å; D118-Q122 PolarHBondContact O-N 3.47Å; K119-Q122 VanDerWaalsContact NZ-OE1 3.09Å; K119-Q122 WeakPolarHBondContact O-CB 3.41Å; K119-Q122 PolarHBondContact O-N 3.24Å; F120-Q122 VanDerWaalsContact C-N 3.3Å; F120-Q122 PolarHBondContact O-N 3.26Å; Q122-A126 WeakPolarHBondContact O-CB 3.35Å; Q122-A126 PolarHBondContact O-N 3.5Å; Q122-A126 VanDerWaalsContact O-N 3.15Å |
| 123 | I | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 176 | -64.1 | 170 | 0 | 0 | 0 | 110.8 | P21 V25 A33 Y37 K119 F120 E121 A126 Y127 | P21-I123 HydrophobicContact CB-CD1 4.2Å; P21-I123 HydrophobicContact CB-CG1 4.26Å; P21-I123 HydrophobicContact CB-CG2 3.81Å; V25-I123 HydrophobicContact CG1-CD1 4.47Å; V25-I123 HydrophobicContact CG1-CG1 3.99Å; V25-I123 HydrophobicContact CG2-CD1 3.72Å; V25-I123 HydrophobicContact CG2-CG1 4.11Å; A33-I123 HydrophobicContact CB-CD1 3.76Å; Y37-I123 HydrophobicContact CD1-CG2 4.29Å; Y37-I123 HydrophobicContact CD2-CG2 3.49Å; Y37-I123 VanDerWaalsContact CD2-CG2 3.49Å; Y37-I123 HydrophobicContact CE2-CG2 3.93Å; Y37-I123 HydrophobicContact CG-CG2 3.69Å; K119-I123 WeakPolarHBondContact O-CG1 3.49Å; K119-I123 PolarHBondContact O-N 3.27Å; K119-I123 VanDerWaalsContact O-N 3.14Å; F120-I123 PolarHBondContact O-N 2.98Å; F120-I123 VanDerWaalsContact O-N 3.13Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 2.91Å; I123-A126 PolarHBondContact O-N 3.22Å; I123-Y127 WeakPolarHBondContact O-CB 3.49Å; I123-Y127 PolarHBondContact O-N 3.31Å |
| 124 | M | 89.5 | Confident | 88.5 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.2 | -43.2 | -178.7 | -73.1 | -58.3 | -66.1 | 0 | 0 | 112.6 | L46 E50 F120 E121 A126 Y127 R128 | L46-M124 HydrophobicContact CB-CE 4.27Å; L46-M124 HydrophobicContact CD2-SD 4.14Å; E50-M124 HydrophobicContact CB-CE 4.26Å; E50-M124 VanDerWaalsContact OE2-CE 3.23Å; E50-M124 WeakPolarHBondContact OE2-CE 3.48Å; F120-M124 HydrophobicContact CD1-CG 3.98Å; F120-M124 HydrophobicContact CE1-CG 3.48Å; F120-M124 VanDerWaalsContact CE1-CG 3.48Å; F120-M124 HydrophobicContact CE1-SD 4.15Å; F120-M124 HydrophobicContact CE2-CG 4.38Å; F120-M124 HydrophobicContact CE2-SD 4.47Å; F120-M124 HydrophobicContact CZ-CG 3.73Å; F120-M124 HydrophobicContact CZ-SD 3.82Å; F120-M124 WeakPolarHBondContact O-CG 3.38Å; F120-M124 PolarHBondContact O-N 3.18Å; E121-M124 PolarHBondContact O-N 3.47Å; E121-M124 VanDerWaalsContact O-N 3.12Å; M124-A126 VanDerWaalsContact C-N 3.29Å; M124-A126 PolarHBondContact O-N 3.38Å; M124-Y127 PolarHBondContact O-N 2.91Å; M124-R128 WeakPolarHBondContact O-CG 3.46Å; M124-R128 PolarHBondContact O-N 3.35Å |
| 125 | T | 87.2 | Confident | 88.6 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 20% | 0.202 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | 172.6 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | E121 Y127 R128 G129 E130 | E121-T125 PolarHBondContact O-N 3.29Å; E121-T125 PolarHBondContact O-OG1 2.82Å; E121-T125 VanDerWaalsContact O-OG1 3.11Å; T125-Y127 PolarHBondContact O-N 3.4Å; T125-R128 PolarHBondContact O-N 2.91Å; T125-G129 PolarHBondContact O-N 2.97Å; T125-E130 HydrophobicContact CG2-CB 3.73Å; T125-E130 VanDerWaalsContact CG2-O 3.29Å; T125-E130 WeakPolarHBondContact CG2-O 3.43Å; T125-E130 PolarHBondContact O-N 2.86Å |
| 126 | A | 85.9 | Confident | 88.6 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 24% | 0.24 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P22 V23 Q122 I123 M124 R128 G129 | P22-A126 HydrophobicContact CB-CB 4.37Å; P22-A126 HydrophobicContact CG-CB 3.91Å; V23-A126 HydrophobicContact CB-CB 4.06Å; V23-A126 HydrophobicContact CG2-CB 3.37Å; Q122-A126 WeakPolarHBondContact O-CB 3.35Å; Q122-A126 PolarHBondContact O-N 3.5Å; Q122-A126 VanDerWaalsContact O-N 3.15Å; I123-A126 PolarHBondContact O-N 3.22Å; M124-A126 VanDerWaalsContact C-N 3.29Å; M124-A126 PolarHBondContact O-N 3.38Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.23Å; A126-G129 PolarHBondContact O-N 3.15Å; A126-G129 VanDerWaalsContact O-N 3.13Å |
| 127 | Y | 85.5 | Confident | 88.6 | Confident | 121 Ų | 121 | 43.1 Ų | 43.1 | 48% | 0.475 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 177.7 | 175.3 | -107.2 | 0 | 0 | 0 | 112.5 | Y37 L46 I123 M124 T125 G129 | Y37-Y127 HydrophobicContact CE2-CD2 4.11Å; Y37-Y127 HydrophobicContact CE2-CG 4.14Å; Y37-Y127 WeakPolarHBondContact OH-CD2 3.39Å; Y37-Y127 WeakPolarHBondContact OH-CE2 3.27Å; L46-Y127 HydrophobicContact CD1-CD1 4.3Å; L46-Y127 HydrophobicContact CD1-CE1 3.67Å; L46-Y127 HydrophobicContact CD1-CE2 4.44Å; I123-Y127 WeakPolarHBondContact O-CB 3.49Å; I123-Y127 PolarHBondContact O-N 3.31Å; M124-Y127 PolarHBondContact O-N 2.91Å; T125-Y127 PolarHBondContact O-N 3.4Å; Y127-G129 PolarHBondContact O-N 3.38Å |
| 128 | R | 83.9 | Confident | 88.4 | Confident | 97 Ų | 97 | 43.7 Ų | 43.7 | 37% | 0.366 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -8.1 | 175.6 | -67.6 | -178.2 | 179 | 174.8 | 3.1 | 113.6 | E50 M124 T125 A126 E130 | E50-R128 IonicContact OE1-CZ 3.29Å; E50-R128 IonicContact OE1-NH1 3.41Å; E50-R128 IonicContact OE1-NH2 2.75Å; E50-R128 PolarHBondContact OE1-NH2 3.36Å; E50-R128 IonicContact OE2-CZ 2.91Å; E50-R128 IonicContact OE2-NE 3.47Å; E50-R128 IonicContact OE2-NH2 3.33Å; E50-R128 PolarHBondContact OE2-NH2 3.2Å; M124-R128 WeakPolarHBondContact O-CG 3.46Å; M124-R128 PolarHBondContact O-N 3.35Å; T125-R128 PolarHBondContact O-N 2.91Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.23Å; R128-E130 HydrophobicContact CB-CB 4.48Å; R128-E130 HydrophobicContact CB-CG 3.84Å; R128-E130 WeakPolarHBondContact CD-OE1 3.42Å; R128-E130 IonicContact NH1-OE1 3.96Å; R128-E130 PolarHBondContact NH1-OE1 3.21Å; R128-E130 PolarHBondContact O-N 3Å |
| 129 | G | 81.8 | Confident | 88.2 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 26.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T125 A126 Y127 E161 K162 | T125-G129 PolarHBondContact O-N 2.97Å; A126-G129 PolarHBondContact O-N 3.15Å; A126-G129 VanDerWaalsContact O-N 3.13Å; Y127-G129 PolarHBondContact O-N 3.38Å; G129-E161 CarbonylContact O-C 3.48Å; G129-E161 WeakPolarHBondContact O-CA 3.42Å; G129-K162 PolarHBondContact O-N 3.2Å |
| 130 | E | 84.2 | Confident | 88 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 15% | 0.145 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 126.6 | 177.9 | -75.3 | 171.8 | -171.9 | 0 | 0 | 109.8 | T125 R128 K162 Q164 | T125-E130 HydrophobicContact CG2-CB 3.73Å; T125-E130 VanDerWaalsContact CG2-O 3.29Å; T125-E130 WeakPolarHBondContact CG2-O 3.43Å; T125-E130 PolarHBondContact O-N 2.86Å; R128-E130 HydrophobicContact CB-CB 4.48Å; R128-E130 HydrophobicContact CB-CG 3.84Å; R128-E130 WeakPolarHBondContact CD-OE1 3.42Å; R128-E130 IonicContact NH1-OE1 3.96Å; R128-E130 PolarHBondContact NH1-OE1 3.21Å; R128-E130 PolarHBondContact O-N 3Å; E130-K162 CarbonylContact C-O 3.6Å; E130-K162 VanDerWaalsContact CA-O 3.23Å; E130-K162 WeakPolarHBondContact CA-O 3.18Å; E130-K162 HydrophobicContact CG-CB 4.02Å; E130-Q164 HydrophobicContact CB-CG 4.23Å; E130-Q164 HydrophobicContact CG-CG 4.32Å; E130-Q164 PolarHBondContact OE2-NE2 3.06Å |
| 131 | V | 82.9 | Confident | 87.5 | Confident | 26 Ų | 26 | 51.8 Ų | 51.8 | 16% | 0.158 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.7 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | C133 L157 E161 K162 Q164 I181 | V131-C133 PolarHBondContact O-N 3.29Å; V131-L157 HydrophobicContact CB-CD2 3.95Å; V131-L157 HydrophobicContact CG1-CD2 4.09Å; V131-L157 HydrophobicContact CG2-CD2 4.04Å; V131-E161 HydrophobicContact CG2-CB 4.01Å; V131-E161 HydrophobicContact CG2-CG 4.03Å; V131-K162 PolarHBondContact N-O 3.49Å; V131-Q164 PolarHBondContact O-N 2.89Å; V131-I181 HydrophobicContact CG1-CG2 3.79Å |
| 132 | N | 84.6 | Confident | 87.4 | Confident | 86 Ų | 86 | 53.7 Ų | 53.7 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 124 | 175.9 | -67.8 | -9.3 | 0 | 0 | 0 | 109.6 | G182 | N132-G182 PolarHBondContact O-N 3.37Å; N132-G182 VanDerWaalsContact O-N 3.17Å |
| 133 | C | 88.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 114.4 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 110 | V131 L163 Q164 L165 T166 S180 | V131-C133 PolarHBondContact O-N 3.29Å; C133-L163 HydrophobicContact CB-CD2 3.52Å; C133-L163 HydrophobicContact CB-CG 4.09Å; C133-Q164 PolarHBondContact N-O 3.4Å; C133-L165 HydrophobicContact CB-CD2 3.98Å; C133-T166 PolarHBondContact O-N 3.4Å; C133-S180 CarbonylContact C-O 3.56Å; C133-S180 VanDerWaalsContact CA-O 3.23Å; C133-S180 WeakPolarHBondContact CA-O 3.46Å |
| 134 | T | 90.8 | Very high | 87.3 | Confident | 49 Ų | 49 | 60.6 Ų | 60.6 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.1 | 173 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | T166 V179 S180 | T134-T166 WeakPolarHBondContact CA-O 3.29Å; T134-V179 WeakPolarHBondContact O-CA 3.44Å; T134-S180 PolarHBondContact N-O 3.11Å; T134-S180 PolarHBondContact O-N 2.87Å; T134-S180 VanDerWaalsContact OG1-CB 3.3Å; T134-S180 WeakPolarHBondContact OG1-CB 3.44Å |
| 135 | V | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.1 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | T137 L149 L153 L165 T166 L167 E168 V178 V179 | V135-T137 HydrophobicContact CG1-CG2 3.99Å; V135-L149 HydrophobicContact CB-CD2 4.27Å; V135-L149 HydrophobicContact CG1-CD2 3.77Å; V135-L149 HydrophobicContact CG2-CD2 3.88Å; V135-L153 HydrophobicContact CG2-CD1 4.12Å; V135-L165 HydrophobicContact CG2-CD2 3.96Å; V135-T166 PolarHBondContact N-O 3.19Å; V135-L167 HydrophobicContact CB-CD2 3.86Å; V135-L167 HydrophobicContact CG1-CD2 4.32Å; V135-L167 HydrophobicContact CG2-CD2 4.41Å; V135-E168 PolarHBondContact O-N 2.91Å; V135-V178 CarbonylContact C-O 3.47Å; V135-V178 WeakPolarHBondContact CA-O 3.38Å; V135-V179 HydrophobicContact CG1-CG2 4.34Å; V135-V179 HydrophobicContact CG2-CG1 4.25Å; V135-V179 HydrophobicContact CG2-CG2 4.36Å |
| 136 | R | 92 | Very high | 87.2 | Confident | 104 Ų | 104 | 64.9 Ų | 64.9 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.2 | 174.9 | -72.8 | 178.5 | 158.2 | -153.1 | -10 | 110.7 | E168 D170 I173 M177 V178 | R136-E168 CarbonylContact C-O 3.52Å; R136-E168 VanDerWaalsContact CA-O 3.26Å; R136-E168 WeakPolarHBondContact CA-O 3.36Å; R136-E168 HydrophobicContact CG-CB 3.77Å; R136-E168 IonicContact CZ-OE2 2.79Å; R136-E168 VanDerWaalsContact CZ-OE2 3.24Å; R136-E168 IonicContact NE-OE2 2.8Å; R136-E168 PolarHBondContact NE-OE2 3.18Å; R136-E168 IonicContact NH2-OE2 3.88Å; R136-E168 PolarHBondContact NH2-OE2 3.21Å; R136-D170 IonicContact NH1-OD2 2.82Å; R136-I173 HydrophobicContact CB-CD1 3.73Å; R136-M177 CarbonylContact O-C 3.58Å; R136-M177 VanDerWaalsContact O-CA 3.25Å; R136-M177 WeakPolarHBondContact O-CA 3.5Å; R136-V178 HydrophobicContact CB-CB 4.21Å; R136-V178 PolarHBondContact N-O 3.39Å; R136-V178 PolarHBondContact O-N 2.82Å |
| 137 | T | 91.2 | Very high | 87.4 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.9 | 177.3 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | V135 K139 L141 E168 I169 D170 M177 | V135-T137 HydrophobicContact CG1-CG2 3.99Å; T137-K139 VanDerWaalsContact C-N 3.33Å; T137-K139 WeakPolarHBondContact CB-O 3.31Å; T137-K139 PolarHBondContact OG1-O 3.36Å; T137-L141 HydrophobicContact CG2-CD1 3.77Å; T137-L141 HydrophobicContact CG2-CD2 4.04Å; T137-L141 HydrophobicContact CG2-CG 3.84Å; T137-E168 PolarHBondContact N-O 3.4Å; T137-I169 CarbonylContact O-C 3.59Å; T137-I169 WeakPolarHBondContact O-CA 3.11Å; T137-D170 PolarHBondContact O-N 3.23Å; T137-M177 HydrophobicContact CG2-CB 4.01Å |
| 138 | A | 89.5 | Confident | 87.6 | Confident | 18 Ų | 18 | 68 Ų | 68 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -71.2 | -28.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D170 I173 | A138-D170 WeakPolarHBondContact CA-O 3.25Å; A138-I173 HydrophobicContact CB-CB 4.45Å |
| 139 | K | 87.6 | Confident | 87.8 | Confident | 165 Ų | 165 | 64.3 Ų | 64.3 | 72% | 0.717 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -127.8 | 154.2 | 177.7 | -71.1 | -175.6 | -179.8 | -179.6 | 0 | 109.5 | T137 L141 | T137-K139 VanDerWaalsContact C-N 3.33Å; T137-K139 WeakPolarHBondContact CB-O 3.31Å; T137-K139 PolarHBondContact OG1-O 3.36Å; K139-L141 PolarHBondContact O-N 3.27Å |
| 140 | P | 87 | Confident | 88 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 133.3 | 170.3 | 24.8 | -33.9 | 0 | 0 | 0 | 109.6 | I169 | P140-I169 HydrophobicContact CB-CD1 4.03Š|
| 141 | L | 82.4 | Confident | 88.2 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 141 | 175.4 | -70.3 | 174.2 | 0 | 0 | 0 | 109.7 | T137 K139 L145 L149 L167 | T137-L141 HydrophobicContact CG2-CD1 3.77Å; T137-L141 HydrophobicContact CG2-CD2 4.04Å; T137-L141 HydrophobicContact CG2-CG 3.84Å; K139-L141 PolarHBondContact O-N 3.27Å; L141-L145 HydrophobicContact CD2-CB 4.33Å; L141-L145 HydrophobicContact CD2-CD1 4.43Å; L141-L149 HydrophobicContact CD1-CD2 4.07Å; L141-L167 HydrophobicContact CD1-CD2 4.27Å |
| 142 | D | 88.5 | Confident | 88.4 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 52% | 0.519 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 155.5 | 167.8 | -171.9 | 27.6 | 0 | 0 | 0 | 110.3 | T144 L145 E146 | D142-T144 PolarHBondContact O-N 2.92Å; D142-T144 PolarHBondContact OD2-OG1 3.29Å; D142-L145 PolarHBondContact O-N 3.15Å; D142-L145 VanDerWaalsContact O-N 3.17Å; D142-E146 PolarHBondContact O-N 2.74Å |
| 143 | K | 88.5 | Confident | 88.5 | Confident | 161 Ų | 161 | 70 Ų | 70 | 70% | 0.7 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.6 | -32 | -177.5 | -66.6 | -178.9 | 179.3 | 178.1 | 0 | 112.5 | N147 | K143-N147 PolarHBondContact O-N 3.13Å; K143-N147 VanDerWaalsContact O-N 3.13Å; K143-N147 PolarHBondContact O-ND2 3.37Å |
| 144 | T | 90.7 | Very high | 88.3 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62 | -55.2 | 175.7 | 52.1 | 0 | 0 | 0 | 0 | 110.8 | D142 E146 N147 E148 | D142-T144 PolarHBondContact O-N 2.92Å; D142-T144 PolarHBondContact OD2-OG1 3.29Å; T144-E146 VanDerWaalsContact C-N 3.32Å; T144-E146 PolarHBondContact O-N 3.07Å; T144-N147 PolarHBondContact O-N 3Å; T144-E148 PolarHBondContact O-N 3.45Å; T144-E148 VanDerWaalsContact O-N 3.09Å |
| 145 | L | 88 | Confident | 87.9 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 177.1 | -64.5 | 175.7 | 0 | 0 | 0 | 112.4 | L141 D142 N147 E148 L149 | L141-L145 HydrophobicContact CD2-CB 4.33Å; L141-L145 HydrophobicContact CD2-CD1 4.43Å; D142-L145 PolarHBondContact O-N 3.15Å; D142-L145 VanDerWaalsContact O-N 3.17Å; L145-N147 VanDerWaalsContact C-N 3.35Å; L145-E148 PolarHBondContact O-N 2.94Å; L145-L149 VanDerWaalsContact O-CB 3.26Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 PolarHBondContact O-N 3.3Å |
| 146 | E | 87.4 | Confident | 87.3 | Confident | 39 Ų | 39 | 81 Ų | 81 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.2 | -171 | -170.5 | 161.3 | 0 | 0 | 111.7 | D142 T144 L149 R150 L167 | D142-E146 PolarHBondContact O-N 2.74Å; T144-E146 VanDerWaalsContact C-N 3.32Å; T144-E146 PolarHBondContact O-N 3.07Å; E146-L149 WeakPolarHBondContact O-CB 3.27Å; E146-L149 PolarHBondContact O-N 3.32Å; E146-R150 VanDerWaalsContact O-CG 3.31Å; E146-R150 WeakPolarHBondContact O-CG 3.28Å; E146-R150 PolarHBondContact O-N 3.07Å; E146-R150 IonicContact OE1-CZ 2.85Å; E146-R150 VanDerWaalsContact OE1-CZ 3.3Å; E146-R150 IonicContact OE1-NE 2.73Å; E146-R150 PolarHBondContact OE1-NE 3.21Å; E146-R150 VanDerWaalsContact OE1-NE 3.12Å; E146-R150 IonicContact OE1-NH2 3.24Å; E146-R150 PolarHBondContact OE1-NH2 3.23Å; E146-L167 HydrophobicContact CG-CD1 4.08Å |
| 147 | N | 89.1 | Confident | 86.7 | Confident | 89 Ų | 89 | 77.3 Ų | 77.3 | 48% | 0.476 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 178 | -72.9 | -31.2 | 0 | 0 | 0 | 112.2 | K143 T144 L145 L149 R150 N151 | K143-N147 PolarHBondContact O-N 3.13Å; K143-N147 VanDerWaalsContact O-N 3.13Å; K143-N147 PolarHBondContact O-ND2 3.37Å; T144-N147 PolarHBondContact O-N 3Å; L145-N147 VanDerWaalsContact C-N 3.35Å; N147-L149 VanDerWaalsContact C-N 3.31Å; N147-L149 PolarHBondContact O-N 3.43Å; N147-R150 WeakPolarHBondContact O-CB 3.48Å; N147-R150 PolarHBondContact O-N 3.1Å; N147-N151 VanDerWaalsContact O-CG 3.23Å; N147-N151 PolarHBondContact O-N 2.99Å; N147-N151 PolarHBondContact O-ND2 3.38Å |
| 148 | E | 89.2 | Confident | 86 | Confident | 128 Ų | 128 | 83.5 Ų | 83.5 | 60% | 0.598 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 172.7 | -70.9 | 179.3 | 177.8 | 0 | 0 | 111.4 | T144 L145 N151 A152 | T144-E148 PolarHBondContact O-N 3.45Å; T144-E148 VanDerWaalsContact O-N 3.09Å; L145-E148 PolarHBondContact O-N 2.94Å; E148-N151 PolarHBondContact O-N 3.22Å; E148-A152 WeakPolarHBondContact O-CB 3.42Å; E148-A152 PolarHBondContact O-N 3.47Å |
| 149 | L | 87.9 | Confident | 85.2 | Confident | 19 Ų | 19 | 89.2 Ų | 89.2 | 10% | 0.099 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 174.9 | -173.8 | 79.5 | 0 | 0 | 0 | 111.4 | V135 L141 L145 E146 N147 N151 A152 L153 M177 | V135-L149 HydrophobicContact CB-CD2 4.27Å; V135-L149 HydrophobicContact CG1-CD2 3.77Å; V135-L149 HydrophobicContact CG2-CD2 3.88Å; L141-L149 HydrophobicContact CD1-CD2 4.07Å; L145-L149 VanDerWaalsContact O-CB 3.26Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 PolarHBondContact O-N 3.3Å; E146-L149 WeakPolarHBondContact O-CB 3.27Å; E146-L149 PolarHBondContact O-N 3.32Å; N147-L149 VanDerWaalsContact C-N 3.31Å; N147-L149 PolarHBondContact O-N 3.43Å; L149-N151 VanDerWaalsContact C-N 3.27Å; L149-N151 PolarHBondContact O-N 3.39Å; L149-A152 PolarHBondContact O-N 3.12Å; L149-L153 HydrophobicContact CD1-CD1 4.34Å; L149-L153 HydrophobicContact CD1-CG 4.49Å; L149-L153 HydrophobicContact CD2-CD1 4.16Å; L149-L153 HydrophobicContact CG-CD1 3.78Å; L149-L153 HydrophobicContact CG-CG 4.25Å; L149-L153 WeakPolarHBondContact O-CB 3.42Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 2.92Å; L149-M177 HydrophobicContact CD1-CE 4.34Å; L149-M177 HydrophobicContact CD1-SD 3.66Å |
| 150 | R | 87.2 | Confident | 84.6 | Confident | 107 Ų | 107 | 84.8 Ų | 84.8 | 40% | 0.404 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -53 | -46.8 | 174.1 | -78.9 | 168.8 | -176.6 | -120.6 | 2.1 | 111 | E146 N147 L153 N154 L165 | E146-R150 VanDerWaalsContact O-CG 3.31Å; E146-R150 WeakPolarHBondContact O-CG 3.28Å; E146-R150 PolarHBondContact O-N 3.07Å; E146-R150 IonicContact OE1-CZ 2.85Å; E146-R150 VanDerWaalsContact OE1-CZ 3.3Å; E146-R150 IonicContact OE1-NE 2.73Å; E146-R150 PolarHBondContact OE1-NE 3.21Å; E146-R150 VanDerWaalsContact OE1-NE 3.12Å; E146-R150 IonicContact OE1-NH2 3.24Å; E146-R150 PolarHBondContact OE1-NH2 3.23Å; N147-R150 WeakPolarHBondContact O-CB 3.48Å; N147-R150 PolarHBondContact O-N 3.1Å; R150-L153 PolarHBondContact O-N 3.28Å; R150-N154 WeakPolarHBondContact O-CB 3.38Å; R150-N154 PolarHBondContact O-N 2.87Å; R150-N154 PolarHBondContact O-ND2 3.05Å; R150-L165 HydrophobicContact CB-CD1 4.35Å; R150-L165 HydrophobicContact CG-CD1 3.13Å; R150-L165 HydrophobicContact CG-CG 4.39Å |
| 151 | N | 88.1 | Confident | 84.2 | Confident | 111 Ų | 111 | 83.1 Ų | 83.1 | 59% | 0.594 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.5 | -44.7 | 179.7 | -68.6 | -23.4 | 0 | 0 | 0 | 112.2 | N147 E148 L149 L153 N154 G155 | N147-N151 VanDerWaalsContact O-CG 3.23Å; N147-N151 PolarHBondContact O-N 2.99Å; N147-N151 PolarHBondContact O-ND2 3.38Å; E148-N151 PolarHBondContact O-N 3.22Å; L149-N151 VanDerWaalsContact C-N 3.27Å; L149-N151 PolarHBondContact O-N 3.39Å; N151-L153 VanDerWaalsContact C-N 3.34Å; N151-L153 PolarHBondContact O-N 2.91Å; N151-N154 PolarHBondContact O-N 2.96Å; N151-G155 PolarHBondContact O-N 2.79Å |
| 152 | A | 86.6 | Confident | 84.2 | Confident | 56 Ų | 56 | 87.5 Ų | 87.5 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E148 L149 G155 F156 | E148-A152 WeakPolarHBondContact O-CB 3.42Å; E148-A152 PolarHBondContact O-N 3.47Å; L149-A152 PolarHBondContact O-N 3.12Å; A152-G155 PolarHBondContact O-N 3.36Å; A152-F156 WeakPolarHBondContact O-CD2 3.17Å |
| 153 | L | 86.1 | Confident | 83.9 | Confident | 9 Ų | 9 | 84.5 Ų | 84.5 | 5% | 0.047 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -69.4 | -34.9 | -179.2 | -66.1 | 173.1 | 0 | 0 | 0 | 113 | V135 L149 R150 N151 G155 F156 L163 L165 V179 I181 | V135-L153 HydrophobicContact CG2-CD1 4.12Å; L149-L153 HydrophobicContact CD1-CD1 4.34Å; L149-L153 HydrophobicContact CD1-CG 4.49Å; L149-L153 HydrophobicContact CD2-CD1 4.16Å; L149-L153 HydrophobicContact CG-CD1 3.78Å; L149-L153 HydrophobicContact CG-CG 4.25Å; L149-L153 WeakPolarHBondContact O-CB 3.42Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 2.92Å; R150-L153 PolarHBondContact O-N 3.28Å; N151-L153 VanDerWaalsContact C-N 3.34Å; N151-L153 PolarHBondContact O-N 2.91Å; L153-G155 PolarHBondContact O-N 3.1Å; L153-F156 PolarHBondContact O-N 3.1Å; L153-L163 HydrophobicContact CB-CD1 3.38Å; L153-L163 HydrophobicContact CD1-CD1 4.44Å; L153-L165 HydrophobicContact CD1-CD2 3.61Å; L153-V179 HydrophobicContact CD2-CG1 3.71Å; L153-I181 HydrophobicContact CD2-CD1 3.69Å; L153-I181 HydrophobicContact CD2-CG1 4.37Å |
| 154 | N | 84.3 | Confident | 83.7 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.1 | -31.1 | 172.3 | -74.2 | -26 | 0 | 0 | 0 | 112.3 | R150 N151 F156 L157 | R150-N154 WeakPolarHBondContact O-CB 3.38Å; R150-N154 PolarHBondContact O-N 2.87Å; R150-N154 PolarHBondContact O-ND2 3.05Å; N151-N154 PolarHBondContact O-N 2.96Å; N154-F156 PolarHBondContact O-N 2.92Å; N154-L157 PolarHBondContact O-N 3.36Å |
| 155 | G | 82.9 | Confident | 83.5 | Confident | 69 Ų | 69 | 78.5 Ų | 78.5 | 71% | 0.711 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -20.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N151 A152 L153 | N151-G155 PolarHBondContact O-N 2.79Å; A152-G155 PolarHBondContact O-N 3.36Å; L153-G155 PolarHBondContact O-N 3.1Å |
| 156 | F | 79.4 | Confident | 83.5 | Confident | 128 Ų | 128 | 77.6 Ų | 77.6 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -12.2 | 177.9 | -68.4 | -80.1 | 0 | 0 | 0 | 113.8 | A152 L153 N154 I181 R184 | A152-F156 WeakPolarHBondContact O-CD2 3.17Å; L153-F156 PolarHBondContact O-N 3.1Å; N154-F156 PolarHBondContact O-N 2.92Å; F156-I181 HydrophobicContact CB-CD1 4.37Å; F156-R184 PolarHBondContact O-NH1 3.28Å; F156-R184 VanDerWaalsContact O-NH1 3.12Å |
| 157 | L | 79.3 | Confident | 83.7 | Confident | 27 Ų | 27 | 79.1 Ų | 79.1 | 14% | 0.141 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -80.2 | 157.7 | -179.7 | -69.4 | -175.8 | 0 | 0 | 0 | 112.4 | V131 N154 E161 L163 I181 | V131-L157 HydrophobicContact CB-CD2 3.95Å; V131-L157 HydrophobicContact CG1-CD2 4.09Å; V131-L157 HydrophobicContact CG2-CD2 4.04Å; N154-L157 PolarHBondContact O-N 3.36Å; L157-E161 HydrophobicContact CB-CB 4.22Å; L157-E161 HydrophobicContact CD1-CB 4.25Å; L157-E161 HydrophobicContact CD2-CB 4.49Å; L157-L163 HydrophobicContact CD1-CB 3.69Å; L157-L163 HydrophobicContact CD1-CD1 3.72Å; L157-L163 HydrophobicContact CD1-CG 3.98Å; L157-L163 HydrophobicContact CD2-CD1 4.39Å; L157-L163 HydrophobicContact CG-CD1 4.05Å; L157-I181 HydrophobicContact CD2-CG2 4.15Å |
| 158 | K | 76.7 | Confident | 83.8 | Confident | 138 Ų | 138 | 78.1 Ų | 78.1 | 60% | 0.6 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 156.1 | 171.2 | -61.7 | 178.9 | -171.8 | 166.8 | 0 | 110.1 | G160 E161 | K158-G160 PolarHBondContact O-N 3.47Å; K158-E161 HydrophobicContact CB-CG 4.24Å; K158-E161 PolarHBondContact N-OE2 3.16Å; K158-E161 PolarHBondContact O-N 2.77Å |
| 159 | P | 73.6 | Confident | 83.9 | Confident | 138 Ų | 138 | 77.2 Ų | 77.2 | 90% | 0.896 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 127.5 | 176.5 | 23.1 | -34.4 | 0 | 0 | 0 | 111.3 | ||
| 160 | G | 73.1 | Confident | 84.1 | Confident | 73 Ų | 73 | 78.2 Ų | 78.2 | 75% | 0.753 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.5 | -6.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K158 | K158-G160 PolarHBondContact O-N 3.47Š|
| 161 | E | 79.4 | Confident | 84.1 | Confident | 63 Ų | 63 | 77.8 Ų | 77.8 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | trans | -79.2 | 141.3 | 173.4 | -70.2 | 173.4 | 177.1 | 0 | 0 | 111.1 | G129 V131 L157 K158 | G129-E161 CarbonylContact O-C 3.48Å; G129-E161 WeakPolarHBondContact O-CA 3.42Å; V131-E161 HydrophobicContact CG2-CB 4.01Å; V131-E161 HydrophobicContact CG2-CG 4.03Å; L157-E161 HydrophobicContact CB-CB 4.22Å; L157-E161 HydrophobicContact CD1-CB 4.25Å; L157-E161 HydrophobicContact CD2-CB 4.49Å; K158-E161 HydrophobicContact CB-CG 4.24Å; K158-E161 PolarHBondContact N-OE2 3.16Å; K158-E161 PolarHBondContact O-N 2.77Å | ||
| 162 | K | 81.7 | Confident | 84.2 | Confident | 135 Ų | 135 | 76.6 Ų | 76.6 | 59% | 0.587 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136.7 | 176.2 | -69.9 | -177.1 | -178.3 | 177.5 | 0 | 109.9 | G129 E130 V131 | G129-K162 PolarHBondContact O-N 3.2Å; E130-K162 CarbonylContact C-O 3.6Å; E130-K162 VanDerWaalsContact CA-O 3.23Å; E130-K162 WeakPolarHBondContact CA-O 3.18Å; E130-K162 HydrophobicContact CG-CB 4.02Å; V131-K162 PolarHBondContact N-O 3.49Å |
| 163 | L | 82.9 | Confident | 84.3 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 18% | 0.178 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.9 | -176.9 | -149.6 | 149.5 | 0 | 0 | 0 | 111.4 | C133 L153 L157 L165 | C133-L163 HydrophobicContact CB-CD2 3.52Å; C133-L163 HydrophobicContact CB-CG 4.09Å; L153-L163 HydrophobicContact CB-CD1 3.38Å; L153-L163 HydrophobicContact CD1-CD1 4.44Å; L157-L163 HydrophobicContact CD1-CB 3.69Å; L157-L163 HydrophobicContact CD1-CD1 3.72Å; L157-L163 HydrophobicContact CD1-CG 3.98Å; L157-L163 HydrophobicContact CD2-CD1 4.39Å; L157-L163 HydrophobicContact CG-CD1 4.05Å; L163-L165 HydrophobicContact CD2-CB 4.32Å; L163-L165 HydrophobicContact CD2-CD1 4.28Å; L163-L165 HydrophobicContact CD2-CD2 3.12Å; L163-L165 HydrophobicContact CD2-CG 3.26Å |
| 164 | Q | 83.4 | Confident | 84.3 | Confident | 82 Ų | 82 | 79.5 Ų | 79.5 | 38% | 0.383 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 110.4 | 165.6 | -75.4 | -154.7 | -5.6 | 0 | 0 | 109.3 | E130 V131 C133 | E130-Q164 HydrophobicContact CB-CG 4.23Å; E130-Q164 HydrophobicContact CG-CG 4.32Å; E130-Q164 PolarHBondContact OE2-NE2 3.06Å; V131-Q164 PolarHBondContact O-N 2.89Å; C133-Q164 PolarHBondContact N-O 3.4Å |
| 165 | L | 86.6 | Confident | 84.5 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 18% | 0.178 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126.1 | 177.8 | -74.8 | 178.4 | 0 | 0 | 0 | 112.4 | C133 V135 R150 L153 L163 | C133-L165 HydrophobicContact CB-CD2 3.98Å; V135-L165 HydrophobicContact CG2-CD2 3.96Å; R150-L165 HydrophobicContact CB-CD1 4.35Å; R150-L165 HydrophobicContact CG-CD1 3.13Å; R150-L165 HydrophobicContact CG-CG 4.39Å; L153-L165 HydrophobicContact CD1-CD2 3.61Å; L163-L165 HydrophobicContact CD2-CB 4.32Å; L163-L165 HydrophobicContact CD2-CD1 4.28Å; L163-L165 HydrophobicContact CD2-CD2 3.12Å; L163-L165 HydrophobicContact CD2-CG 3.26Å |
| 166 | T | 89.6 | Confident | 84.8 | Confident | 69 Ų | 69 | 75 Ų | 75 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 112.5 | 165.3 | -55.1 | 0 | 0 | 0 | 0 | 108.3 | C133 T134 V135 E168 | C133-T166 PolarHBondContact O-N 3.4Å; T134-T166 WeakPolarHBondContact CA-O 3.29Å; V135-T166 PolarHBondContact N-O 3.19Å; T166-E168 HydrophobicContact CG2-CG 4.48Å |
| 167 | L | 90.5 | Very high | 85.3 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 37% | 0.366 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.6 | 176 | -60.1 | -179.4 | 0 | 0 | 0 | 109.8 | V135 L141 E146 | V135-L167 HydrophobicContact CB-CD2 3.86Å; V135-L167 HydrophobicContact CG1-CD2 4.32Å; V135-L167 HydrophobicContact CG2-CD2 4.41Å; L141-L167 HydrophobicContact CD1-CD2 4.27Å; E146-L167 HydrophobicContact CG-CD1 4.08Å |
| 168 | E | 91.3 | Very high | 85.9 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.3 | 175.4 | -73.3 | -176 | -169.8 | 0 | 0 | 109.7 | V135 R136 T137 T166 | V135-E168 PolarHBondContact O-N 2.91Å; R136-E168 CarbonylContact C-O 3.52Å; R136-E168 VanDerWaalsContact CA-O 3.26Å; R136-E168 WeakPolarHBondContact CA-O 3.36Å; R136-E168 HydrophobicContact CG-CB 3.77Å; R136-E168 IonicContact CZ-OE2 2.79Å; R136-E168 VanDerWaalsContact CZ-OE2 3.24Å; R136-E168 IonicContact NE-OE2 2.8Å; R136-E168 PolarHBondContact NE-OE2 3.18Å; R136-E168 IonicContact NH2-OE2 3.88Å; R136-E168 PolarHBondContact NH2-OE2 3.21Å; T137-E168 PolarHBondContact N-O 3.4Å; T166-E168 HydrophobicContact CG2-CG 4.48Å |
| 169 | I | 91.9 | Very high | 86.6 | Confident | 109 Ų | 109 | 65.2 Ų | 65.2 | 56% | 0.559 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.1 | 178.8 | -58.6 | 170 | 0 | 0 | 0 | 108.3 | T137 P140 | T137-I169 CarbonylContact O-C 3.59Å; T137-I169 WeakPolarHBondContact O-CA 3.11Å; P140-I169 HydrophobicContact CB-CD1 4.03Å |
| 170 | D | 90.7 | Very high | 87.4 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 21% | 0.214 | 35% | 0.354 | C | S | . | . | trans | -130.2 | 100.8 | 176.1 | -176.5 | 0.8 | 0 | 0 | 0 | 110.5 | R136 T137 A138 S172 I173 | R136-D170 IonicContact NH1-OD2 2.82Å; T137-D170 PolarHBondContact O-N 3.23Å; A138-D170 WeakPolarHBondContact CA-O 3.25Å; D170-S172 PolarHBondContact O-N 2.65Å; D170-S172 VanDerWaalsContact O-N 3.17Å; D170-S172 WeakPolarHBondContact OD1-CB 3.48Å; D170-S172 PolarHBondContact OD1-N 2.97Å; D170-S172 PolarHBondContact OD1-OG 3.4Å; D170-I173 HydrophobicContact CB-CD1 3.89Å; D170-I173 HydrophobicContact CB-CG1 4.18Å; D170-I173 WeakPolarHBondContact O-CB 3.31Å; D170-I173 PolarHBondContact O-N 3.14Å | ||
| 171 | P | 89.2 | Confident | 88.1 | Confident | 97 Ų | 97 | 57.7 Ų | 57.7 | 63% | 0.63 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -66.1 | -15.5 | -179.3 | 27.7 | -34.3 | 0 | 0 | 0 | 113.3 | I173 I174 | P171-I173 PolarHBondContact O-N 3.15Å; P171-I174 PolarHBondContact O-N 3.33Å; P171-I174 VanDerWaalsContact O-N 3.16Å |
| 172 | S | 89.4 | Confident | 88.2 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 60% | 0.601 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -64.7 | -20.2 | 179.4 | -41.6 | 0 | 0 | 0 | 0 | 113 | D170 I174 | D170-S172 PolarHBondContact O-N 2.65Å; D170-S172 VanDerWaalsContact O-N 3.17Å; D170-S172 WeakPolarHBondContact OD1-CB 3.48Å; D170-S172 PolarHBondContact OD1-N 2.97Å; D170-S172 PolarHBondContact OD1-OG 3.4Å; S172-I174 PolarHBondContact O-N 3.48Å |
| 173 | I | 88.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.046 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -68.8 | -17.5 | 179.2 | -65.1 | 177.3 | 0 | 0 | 0 | 111.2 | R136 A138 D170 P171 G175 V178 A191 | R136-I173 HydrophobicContact CB-CD1 3.73Å; A138-I173 HydrophobicContact CB-CB 4.45Å; D170-I173 HydrophobicContact CB-CD1 3.89Å; D170-I173 HydrophobicContact CB-CG1 4.18Å; D170-I173 WeakPolarHBondContact O-CB 3.31Å; D170-I173 PolarHBondContact O-N 3.14Å; P171-I173 PolarHBondContact O-N 3.15Å; I173-G175 WeakPolarHBondContact CG2-O 3.41Å; I173-G175 PolarHBondContact O-N 2.88Å; I173-V178 HydrophobicContact CD1-CG2 4.03Å; I173-A191 WeakPolarHBondContact O-CB 3.29Å; I173-A191 PolarHBondContact O-N 3.07Å; I173-A191 VanDerWaalsContact O-N 3.09Å |
| 174 | I | 86.2 | Confident | 88.5 | Confident | 117 Ų | 117 | 64 Ų | 64 | 60% | 0.6 | 37% | 0.365 | S | S | * | . | trans | 66.2 | -47.7 | -175.4 | -56 | 170.2 | 0 | 0 | 0 | 112.3 | P171 S172 I190 | P171-I174 PolarHBondContact O-N 3.33Å; P171-I174 VanDerWaalsContact O-N 3.16Å; S172-I174 PolarHBondContact O-N 3.48Å; I174-I190 HydrophobicContact CB-CB 4.38Å; I174-I190 HydrophobicContact CB-CG2 4.39Å; I174-I190 HydrophobicContact CG2-CG2 4.23Å | ||
| 175 | G | 89.1 | Confident | 88.8 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 13% | 0.134 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -175.2 | 169.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I173 I190 | I173-G175 WeakPolarHBondContact CG2-O 3.41Å; I173-G175 PolarHBondContact O-N 2.88Å; G175-I190 WeakPolarHBondContact O-CG1 3.36Å; G175-I190 PolarHBondContact O-N 3.16Å |
| 176 | G | 88.9 | Confident | 88.9 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 83.8 | -163.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 177 | M | 89.8 | Confident | 89 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 31% | 0.305 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 152.2 | -175.5 | 60.7 | -175.7 | 71.8 | 0 | 0 | 112.1 | R136 T137 L149 V179 M188 | R136-M177 CarbonylContact O-C 3.58Å; R136-M177 VanDerWaalsContact O-CA 3.25Å; R136-M177 WeakPolarHBondContact O-CA 3.5Å; T137-M177 HydrophobicContact CG2-CB 4.01Å; L149-M177 HydrophobicContact CD1-CE 4.34Å; L149-M177 HydrophobicContact CD1-SD 3.66Å; M177-V179 HydrophobicContact CG-CG2 4.42Å; M177-V179 HydrophobicContact SD-CG2 4.4Å; M177-M188 CarbonylContact O-C 3.5Å; M177-M188 WeakPolarHBondContact O-CA 3.48Å; M177-M188 PolarHBondContact O-N 3.06Å |
| 178 | V | 92.1 | Very high | 89 | Confident | 16 Ų | 16 | 69.9 Ų | 69.9 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.1 | 171.4 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | V135 R136 I173 F185 V186 D187 | V135-V178 CarbonylContact C-O 3.47Å; V135-V178 WeakPolarHBondContact CA-O 3.38Å; R136-V178 HydrophobicContact CB-CB 4.21Å; R136-V178 PolarHBondContact N-O 3.39Å; R136-V178 PolarHBondContact O-N 2.82Å; I173-V178 HydrophobicContact CD1-CG2 4.03Å; V178-F185 HydrophobicContact CG1-CD2 4.39Å; V178-F185 HydrophobicContact CG1-CE1 4.31Å; V178-F185 HydrophobicContact CG1-CE2 3.38Å; V178-F185 HydrophobicContact CG1-CZ 3.34Å; V178-V186 WeakPolarHBondContact CA-O 3.38Å; V178-D187 HydrophobicContact CG1-CB 4.23Å; V178-D187 HydrophobicContact CG2-CB 4.32Å; V178-D187 WeakPolarHBondContact CG2-OD1 3.45Å |
| 179 | V | 91.5 | Very high | 89.1 | Confident | 11 Ų | 11 | 67.1 Ų | 67.1 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.9 | -178.1 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | T134 V135 L153 M177 I181 V186 | T134-V179 WeakPolarHBondContact O-CA 3.44Å; V135-V179 HydrophobicContact CG1-CG2 4.34Å; V135-V179 HydrophobicContact CG2-CG1 4.25Å; V135-V179 HydrophobicContact CG2-CG2 4.36Å; L153-V179 HydrophobicContact CD2-CG1 3.71Å; M177-V179 HydrophobicContact CG-CG2 4.42Å; M177-V179 HydrophobicContact SD-CG2 4.4Å; V179-I181 HydrophobicContact CG1-CD1 4.07Å; V179-I181 HydrophobicContact CG1-CG1 3.59Å; V179-V186 PolarHBondContact N-O 3.13Å; V179-V186 PolarHBondContact O-N 3.5Å |
| 180 | S | 90.4 | Very high | 89.1 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 25% | 0.245 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.3 | 168.7 | -160.1 | 0 | 0 | 0 | 0 | 109 | C133 T134 R184 | C133-S180 CarbonylContact C-O 3.56Å; C133-S180 VanDerWaalsContact CA-O 3.23Å; C133-S180 WeakPolarHBondContact CA-O 3.46Å; T134-S180 PolarHBondContact N-O 3.11Å; T134-S180 PolarHBondContact O-N 2.87Å; T134-S180 VanDerWaalsContact OG1-CB 3.3Å; T134-S180 WeakPolarHBondContact OG1-CB 3.44Å; S180-R184 CarbonylContact C-O 3.6Å; S180-R184 WeakPolarHBondContact CA-O 3.4Å |
| 181 | I | 87.5 | Confident | 89.2 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 9% | 0.087 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 96.9 | 179.4 | -46.2 | 175.4 | 0 | 0 | 0 | 108 | V131 L153 F156 L157 V179 D183 R184 | V131-I181 HydrophobicContact CG1-CG2 3.79Å; L153-I181 HydrophobicContact CD2-CD1 3.69Å; L153-I181 HydrophobicContact CD2-CG1 4.37Å; F156-I181 HydrophobicContact CB-CD1 4.37Å; L157-I181 HydrophobicContact CD2-CG2 4.15Å; V179-I181 HydrophobicContact CG1-CD1 4.07Å; V179-I181 HydrophobicContact CG1-CG1 3.59Å; I181-D183 PolarHBondContact O-N 3.47Å; I181-R184 HydrophobicContact CB-CB 4.42Å; I181-R184 PolarHBondContact N-O 2.96Å; I181-R184 PolarHBondContact O-N 3.17Å |
| 182 | G | 81.7 | Confident | 89.3 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 49% | 0.485 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | -112.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N132 | N132-G182 PolarHBondContact O-N 3.37Å; N132-G182 VanDerWaalsContact O-N 3.17Å |
| 183 | D | 83.1 | Confident | 89.5 | Confident | 177 Ų | 177 | 68.6 Ų | 68.6 | 95% | 0.947 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -6.5 | 179.4 | -56.4 | -40.9 | 0 | 0 | 0 | 114.8 | I181 | I181-D183 PolarHBondContact O-N 3.47Š|
| 184 | R | 86.7 | Confident | 89.7 | Confident | 141 Ų | 141 | 71.9 Ų | 71.9 | 53% | 0.532 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.5 | -179.5 | -63.3 | -178.8 | -179.9 | 175.5 | 1.9 | 110.1 | F156 S180 I181 | F156-R184 PolarHBondContact O-NH1 3.28Å; F156-R184 VanDerWaalsContact O-NH1 3.12Å; S180-R184 CarbonylContact C-O 3.6Å; S180-R184 WeakPolarHBondContact CA-O 3.4Å; I181-R184 HydrophobicContact CB-CB 4.42Å; I181-R184 PolarHBondContact N-O 2.96Å; I181-R184 PolarHBondContact O-N 3.17Å |
| 185 | F | 90.2 | Very high | 90 | Very high | 134 Ų | 134 | 74.2 Ų | 74.2 | 59% | 0.588 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124 | 177.9 | -175.9 | -99.5 | 0 | 0 | 0 | 110.4 | V178 D187 | V178-F185 HydrophobicContact CG1-CD2 4.39Å; V178-F185 HydrophobicContact CG1-CE1 4.31Å; V178-F185 HydrophobicContact CG1-CE2 3.38Å; V178-F185 HydrophobicContact CG1-CZ 3.34Å; F185-D187 HydrophobicContact CD1-CB 4.41Å; F185-D187 HydrophobicContact CE1-CB 3.62Å; F185-D187 HydrophobicContact CZ-CB 4.07Å |
| 186 | V | 90 | Very high | 90.2 | Very high | 74 Ų | 74 | 76.6 Ų | 76.6 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 111.6 | -179.7 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | V178 V179 M188 | V178-V186 WeakPolarHBondContact CA-O 3.38Å; V179-V186 PolarHBondContact N-O 3.13Å; V179-V186 PolarHBondContact O-N 3.5Å; V186-M188 HydrophobicContact CG1-CG 4.22Å |
| 187 | D | 91.7 | Very high | 90.4 | Very high | 30 Ų | 30 | 78.6 Ų | 78.6 | 16% | 0.16 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 108.9 | 178.7 | 180 | -8.3 | 0 | 0 | 0 | 110.2 | V178 F185 S189 R192 | V178-D187 HydrophobicContact CG1-CB 4.23Å; V178-D187 HydrophobicContact CG2-CB 4.32Å; V178-D187 WeakPolarHBondContact CG2-OD1 3.45Å; F185-D187 HydrophobicContact CD1-CB 4.41Å; F185-D187 HydrophobicContact CE1-CB 3.62Å; F185-D187 HydrophobicContact CZ-CB 4.07Å; D187-S189 WeakPolarHBondContact OD1-CB 3.32Å; D187-S189 PolarHBondContact OD1-N 3.1Å; D187-S189 PolarHBondContact OD1-OG 2.85Å; D187-R192 VanDerWaalsContact CG-CD 3.46Å; D187-R192 PolarHBondContact O-NH1 3.17Å; D187-R192 VanDerWaalsContact OD2-CD 3.28Å; D187-R192 WeakPolarHBondContact OD2-CD 3.44Å |
| 188 | M | 89.8 | Confident | 90.5 | Very high | 141 Ų | 141 | 83 Ų | 83 | 70% | 0.695 | 41% | 0.41 | S | S | * | . | trans | -111 | 30 | 173.2 | -61.4 | -168.3 | 75.7 | 0 | 0 | 111.7 | M177 V186 | M177-M188 CarbonylContact O-C 3.5Å; M177-M188 WeakPolarHBondContact O-CA 3.48Å; M177-M188 PolarHBondContact O-N 3.06Å; V186-M188 HydrophobicContact CG1-CG 4.22Å | ||
| 189 | S | 92.8 | Very high | 90.5 | Very high | 10 Ų | 10 | 83.8 Ų | 83.8 | 7% | 0.07 | 42% | 0.422 | C | S | . | . | trans | -72.9 | 141.9 | 177.7 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | D187 A191 R192 K193 | D187-S189 WeakPolarHBondContact OD1-CB 3.32Å; D187-S189 PolarHBondContact OD1-N 3.1Å; D187-S189 PolarHBondContact OD1-OG 2.85Å; S189-A191 PolarHBondContact O-N 2.94Å; S189-R192 PolarHBondContact O-N 3.48Å; S189-R192 WeakPolarHBondContact OG-CB 3.4Å; S189-R192 PolarHBondContact OG-N 3.09Å; S189-K193 PolarHBondContact O-N 3.15Å | ||
| 190 | I | 92.9 | Very high | 90.6 | Very high | 82 Ų | 82 | 88.3 Ų | 88.3 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 169.8 | -65 | 175.4 | 0 | 0 | 0 | 109.6 | I174 G175 R192 K193 V194 | I174-I190 HydrophobicContact CB-CB 4.38Å; I174-I190 HydrophobicContact CB-CG2 4.39Å; I174-I190 HydrophobicContact CG2-CG2 4.23Å; G175-I190 WeakPolarHBondContact O-CG1 3.36Å; G175-I190 PolarHBondContact O-N 3.16Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 2.84Å; I190-K193 WeakPolarHBondContact O-CB 3.24Å; I190-K193 PolarHBondContact O-N 3.4Å; I190-V194 HydrophobicContact CG2-CG2 4.07Å; I190-V194 WeakPolarHBondContact O-CG2 3.41Å; I190-V194 PolarHBondContact O-N 3.38Å |
| 191 | A | 91.4 | Very high | 90.6 | Very high | 15 Ų | 15 | 93.8 Ų | 93.8 | 12% | 0.124 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -54.1 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I173 S189 R195 | I173-A191 WeakPolarHBondContact O-CB 3.29Å; I173-A191 PolarHBondContact O-N 3.07Å; I173-A191 VanDerWaalsContact O-N 3.09Å; S189-A191 PolarHBondContact O-N 2.94Å; A191-R195 WeakPolarHBondContact O-CB 3.48Å; A191-R195 PolarHBondContact O-N 3.39Å |
| 192 | R | 92.7 | Very high | 90.8 | Very high | 133 Ų | 133 | 98.8 Ų | 98.8 | 50% | 0.502 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 174.1 | 178.9 | 177.8 | 179.4 | -164.1 | 9.3 | 111.6 | D187 S189 I190 R195 S196 | D187-R192 VanDerWaalsContact CG-CD 3.46Å; D187-R192 PolarHBondContact O-NH1 3.17Å; D187-R192 VanDerWaalsContact OD2-CD 3.28Å; D187-R192 WeakPolarHBondContact OD2-CD 3.44Å; S189-R192 PolarHBondContact O-N 3.48Å; S189-R192 WeakPolarHBondContact OG-CB 3.4Å; S189-R192 PolarHBondContact OG-N 3.09Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 2.84Å; R192-R195 PolarHBondContact O-N 3.43Å; R192-S196 WeakPolarHBondContact O-CB 3.43Å; R192-S196 PolarHBondContact O-N 3.04Å |
| 193 | K | 92.5 | Very high | 91 | Very high | 134 Ų | 134 | 103.1 Ų | 103.1 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 179.3 | -172.6 | 62.2 | 178.4 | 179.4 | 0 | 112 | S189 I190 S196 L197 | S189-K193 PolarHBondContact O-N 3.15Å; I190-K193 WeakPolarHBondContact O-CB 3.24Å; I190-K193 PolarHBondContact O-N 3.4Å; K193-S196 PolarHBondContact O-N 3.36Å; K193-L197 WeakPolarHBondContact O-CG 3.49Å; K193-L197 PolarHBondContact O-N 3.17Å |
| 194 | V | 93.9 | Very high | 90.9 | Very high | 78 Ų | 78 | 100.7 Ų | 100.7 | 47% | 0.473 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 111 | I190 S196 L197 R198 | I190-V194 HydrophobicContact CG2-CG2 4.07Å; I190-V194 WeakPolarHBondContact O-CG2 3.41Å; I190-V194 PolarHBondContact O-N 3.38Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.47Å; V194-L197 PolarHBondContact O-N 3.5Å; V194-R198 WeakPolarHBondContact O-CB 3.37Å; V194-R198 PolarHBondContact O-N 3.41Å |
| 195 | R | 92 | Very high | 90.4 | Very high | 165 Ų | 165 | 105.5 Ų | 105.5 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 176.4 | -169.3 | -176 | -58.7 | 114.3 | 2.7 | 112.1 | A191 R192 R198 G199 | A191-R195 WeakPolarHBondContact O-CB 3.48Å; A191-R195 PolarHBondContact O-N 3.39Å; R192-R195 PolarHBondContact O-N 3.43Å; R195-R198 PolarHBondContact O-N 3.23Å; R195-G199 PolarHBondContact O-N 2.9Å |
| 196 | S | 92.3 | Very high | 90.4 | Very high | 63 Ų | 63 | 104.1 Ų | 104.1 | 44% | 0.441 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.3 | 179 | 0 | 0 | 0 | 0 | 111.9 | R192 K193 V194 I200 | R192-S196 WeakPolarHBondContact O-CB 3.43Å; R192-S196 PolarHBondContact O-N 3.04Å; K193-S196 PolarHBondContact O-N 3.36Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.47Å; S196-I200 WeakPolarHBondContact O-CD1 3.16Å; S196-I200 WeakPolarHBondContact O-CG1 3.06Å; S196-I200 PolarHBondContact O-N 3.22Å |
| 197 | L | 93.7 | Very high | 90.4 | Very high | 86 Ų | 86 | 105.7 Ų | 105.7 | 45% | 0.45 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 176.1 | -69.5 | 172.2 | 0 | 0 | 0 | 111.4 | K193 V194 G199 I200 M201 | K193-L197 WeakPolarHBondContact O-CG 3.49Å; K193-L197 PolarHBondContact O-N 3.17Å; V194-L197 PolarHBondContact O-N 3.5Å; L197-G199 VanDerWaalsContact C-N 3.33Å; L197-G199 PolarHBondContact O-N 3.01Å; L197-I200 PolarHBondContact O-N 3.31Å; L197-M201 WeakPolarHBondContact O-CG 3.32Å; L197-M201 PolarHBondContact O-N 2.92Å; L197-M201 VanDerWaalsContact O-N 3.09Å |
| 198 | R | 92.4 | Very high | 90.4 | Very high | 153 Ų | 153 | 109.9 Ų | 109.9 | 58% | 0.577 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.4 | -44.1 | 176.1 | -176.8 | 175.8 | 173.8 | 174 | -0.3 | 112.4 | V194 R195 I200 M201 E202 | V194-R198 WeakPolarHBondContact O-CB 3.37Å; V194-R198 PolarHBondContact O-N 3.41Å; R195-R198 PolarHBondContact O-N 3.23Å; R198-I200 VanDerWaalsContact C-N 3.27Å; R198-I200 PolarHBondContact O-N 3.48Å; R198-M201 HydrophobicContact CB-CE 4.33Å; R198-M201 PolarHBondContact O-N 2.64Å; R198-M201 VanDerWaalsContact O-N 3.11Å; R198-E202 HydrophobicContact CG-CG 4.36Å; R198-E202 IonicContact CZ-OE1 3.3Å; R198-E202 VanDerWaalsContact CZ-OE1 3.29Å; R198-E202 IonicContact NE-OE1 3.12Å; R198-E202 PolarHBondContact NE-OE1 3.04Å; R198-E202 IonicContact NH2-OE1 2.69Å; R198-E202 PolarHBondContact NH2-OE1 2.89Å; R198-E202 PolarHBondContact O-N 3.47Å |
| 199 | G | 92.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 108.1 Ų | 108.1 | 34% | 0.34 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -33.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | R195 L197 Q203 | R195-G199 PolarHBondContact O-N 2.9Å; L197-G199 VanDerWaalsContact C-N 3.33Å; L197-G199 PolarHBondContact O-N 3.01Å; G199-Q203 WeakPolarHBondContact O-CG 3.49Å |
| 200 | I | 93.2 | Very high | 90.2 | Very high | 107 Ų | 107 | 114.2 Ų | 114.2 | 55% | 0.549 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.6 | -39.2 | 174.4 | -63.4 | 162.2 | 0 | 0 | 0 | 110.7 | S196 L197 R198 Q203 | S196-I200 WeakPolarHBondContact O-CD1 3.16Å; S196-I200 WeakPolarHBondContact O-CG1 3.06Å; S196-I200 PolarHBondContact O-N 3.22Å; L197-I200 PolarHBondContact O-N 3.31Å; R198-I200 VanDerWaalsContact C-N 3.27Å; R198-I200 PolarHBondContact O-N 3.48Å; I200-Q203 PolarHBondContact O-N 3.08Å |
| 201 | M | 90 | Very high | 90.1 | Very high | 149 Ų | 149 | 116.3 Ų | 116.3 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71 | -27.7 | -180 | -65.7 | -176.4 | -60.9 | 0 | 0 | 113.8 | L197 R198 | L197-M201 WeakPolarHBondContact O-CG 3.32Å; L197-M201 PolarHBondContact O-N 2.92Å; L197-M201 VanDerWaalsContact O-N 3.09Å; R198-M201 HydrophobicContact CB-CE 4.33Å; R198-M201 PolarHBondContact O-N 2.64Å; R198-M201 VanDerWaalsContact O-N 3.11Å |
| 202 | E | 91.5 | Very high | 90 | Very high | 123 Ų | 123 | 123.6 Ų | 123.6 | 58% | 0.575 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -11.1 | 178.6 | -73.4 | 178.8 | 172.7 | 0 | 0 | 113.4 | R198 | R198-E202 HydrophobicContact CG-CG 4.36Å; R198-E202 IonicContact CZ-OE1 3.3Å; R198-E202 VanDerWaalsContact CZ-OE1 3.29Å; R198-E202 IonicContact NE-OE1 3.12Å; R198-E202 PolarHBondContact NE-OE1 3.04Å; R198-E202 IonicContact NH2-OE1 2.69Å; R198-E202 PolarHBondContact NH2-OE1 2.89Å; R198-E202 PolarHBondContact O-N 3.47Å |
| 203 | Q | 85.3 | Confident | 89.8 | Confident | 138 Ų | 138 | 122.8 Ų | 122.8 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -67.3 | 125.8 | 175.9 | -78.6 | 179.9 | -0.2 | 0 | 0 | 109.6 | G199 I200 I205 | G199-Q203 WeakPolarHBondContact O-CG 3.49Å; I200-Q203 PolarHBondContact O-N 3.08Å; Q203-I205 PolarHBondContact O-N 3.3Å |
| 204 | P | 81.2 | Confident | 89.5 | Confident | 125 Ų | 125 | 121.9 Ų | 121.9 | 81% | 0.812 | 62% | 0.622 | S | S | * | * | trans | -61.3 | 135 | 170.9 | 26 | -31.4 | 0 | 0 | 0 | 108.6 | ||||
| 205 | I | 76.5 | Confident | 89.1 | Confident | 243 Ų | 243 | 125.9 Ų | 125.9 | 100% | 1.246 | 64% | 0.636 | S | S | * | * | trans | -62.3 | 0 | 175.9 | -54.2 | 167.1 | 0 | 0 | 0 | 109.5 | Q203 | Q203-I205 PolarHBondContact O-N 3.3Š|
Retrieved 205 of 205 residues in 125.3 ms
(Link to these results)