| 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 | 32.7 | Very low | 45.1 | Very low | 242 Ų | 242 | 136.5 Ų | 136.5 | 100% | 1.192 | 78% | 0.778 | S | S | * | * | 0 | 110.8 | 0 | -81.9 | 172.6 | 161.6 | 0 | 0 | 106.4 | S3 | M1-S3 PolarHBondContact O-N 2.59Š| |||
| 2 | A | 33.9 | Very low | 46.6 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -71.3 | 118.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | T4 | A2-T4 PolarHBondContact O-N 2.55Š| ||
| 3 | S | 36.2 | Very low | 48.3 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -70.7 | 118.9 | 172.1 | -64.4 | 0 | 0 | 0 | 0 | 108.3 | M1 D5 | M1-S3 PolarHBondContact O-N 2.59Å; S3-D5 VanDerWaalsContact C-N 3.3Å; S3-D5 PolarHBondContact O-N 3.29Å; S3-D5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | T | 41.9 | Very low | 49.6 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | trans | -74.3 | 83.9 | 166.9 | 47.7 | 0 | 0 | 0 | 0 | 108.3 | A2 | A2-T4 PolarHBondContact O-N 2.55Š| ||
| 5 | D | 43.4 | Very low | 51.2 | Low | 139 Ų | 139 | 125.3 Ų | 125.3 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | -106.2 | 119.8 | 166 | -76.2 | -40 | 0 | 0 | 0 | 108.2 | S3 Q7 | S3-D5 VanDerWaalsContact C-N 3.3Å; S3-D5 PolarHBondContact O-N 3.29Å; S3-D5 VanDerWaalsContact O-N 3.1Å; D5-Q7 PolarHBondContact O-N 3.46Å | ||
| 6 | V | 45.1 | Very low | 52.8 | Low | 138 Ų | 138 | 121.1 Ų | 121.1 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | trans | -58.5 | 116.9 | 175.6 | 176 | 0 | 0 | 0 | 0 | 107.8 | D8 | V6-D8 PolarHBondContact O-N 3.17Å; V6-D8 VanDerWaalsContact O-N 3.11Å | ||
| 7 | Q | 48.5 | Very low | 54.1 | Low | 177 Ų | 177 | 120.1 Ų | 120.1 | 83% | 0.827 | 68% | 0.684 | S | S | * | * | trans | -71.6 | 100.6 | 170.4 | -76.1 | 174.6 | -30.4 | 0 | 0 | 107.8 | D5 | D5-Q7 PolarHBondContact O-N 3.46Š| ||
| 8 | D | 47.7 | Very low | 55.3 | Low | 122 Ų | 122 | 119.7 Ų | 119.7 | 65% | 0.652 | 68% | 0.677 | S | S | * | * | trans | -87.4 | 101.8 | 168.3 | -168.3 | 19.9 | 0 | 0 | 0 | 107.2 | V6 S10 | V6-D8 PolarHBondContact O-N 3.17Å; V6-D8 VanDerWaalsContact O-N 3.11Å; D8-S10 PolarHBondContact O-N 3.38Å | ||
| 9 | D | 52.2 | Low | 56.6 | Low | 159 Ų | 159 | 117.8 Ų | 117.8 | 85% | 0.85 | 67% | 0.665 | S | S | * | * | trans | -73.7 | 35.2 | -176.3 | -72.4 | -32.7 | 0 | 0 | 0 | 112.9 | ||||
| 10 | S | 54.8 | Low | 57.6 | Low | 47 Ų | 47 | 117.8 Ų | 117.8 | 33% | 0.329 | 66% | 0.657 | S | S | . | * | trans | -95.4 | 138 | 176 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | D8 D12 G13 M14 | D8-S10 PolarHBondContact O-N 3.38Å; S10-D12 PolarHBondContact O-N 2.89Å; S10-G13 WeakPolarHBondContact O-CA 2.95Å; S10-G13 PolarHBondContact O-N 3.16Å; S10-M14 PolarHBondContact O-N 3.04Å | ||
| 11 | D | 59.3 | Low | 58.3 | Low | 134 Ų | 134 | 118.4 Ų | 118.4 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -56.4 | -33 | -178.6 | -142.4 | 14.2 | 0 | 0 | 0 | 111.9 | G13 M14 D15 | D11-G13 VanDerWaalsContact C-N 3.29Å; D11-G13 PolarHBondContact O-N 3.33Å; D11-M14 PolarHBondContact O-N 3.31Å; D11-D15 PolarHBondContact O-N 3.28Å; D11-D15 VanDerWaalsContact O-N 3.16Å |
| 12 | D | 63.8 | Low | 60.4 | Low | 127 Ų | 127 | 115 Ų | 115 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.9 | -30.4 | 174.4 | -65.4 | -36.3 | 0 | 0 | 0 | 113 | S10 A16 | S10-D12 PolarHBondContact O-N 2.89Å; D12-A16 WeakPolarHBondContact O-CB 3.05Å; D12-A16 PolarHBondContact O-N 2.93Å; D12-A16 VanDerWaalsContact O-N 3.13Å |
| 13 | G | 69.1 | Low | 62.2 | Low | 32 Ų | 32 | 114.8 Ų | 114.8 | 33% | 0.33 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.8 | -34.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S10 D11 F17 | S10-G13 WeakPolarHBondContact O-CA 2.95Å; S10-G13 PolarHBondContact O-N 3.16Å; D11-G13 VanDerWaalsContact C-N 3.29Å; D11-G13 PolarHBondContact O-N 3.33Å; G13-F17 WeakPolarHBondContact O-CB 3.4Å; G13-F17 PolarHBondContact O-N 2.88Å |
| 14 | M | 65.7 | Low | 63.8 | Low | 115 Ų | 115 | 115.7 Ų | 115.7 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.1 | -41.2 | 176 | -71.7 | -69.7 | -80.8 | 0 | 0 | 111.5 | S10 D11 F17 M18 | S10-M14 PolarHBondContact O-N 3.04Å; D11-M14 PolarHBondContact O-N 3.31Å; M14-F17 WeakPolarHBondContact O-CB 3.44Å; M14-F17 PolarHBondContact O-N 2.86Å; M14-M18 WeakPolarHBondContact O-CB 3.39Å; M14-M18 VanDerWaalsContact O-CG 3.26Å; M14-M18 WeakPolarHBondContact O-CG 3.47Å; M14-M18 PolarHBondContact O-N 3.34Å |
| 15 | D | 74.4 | Confident | 64.8 | Low | 105 Ų | 105 | 120.1 Ų | 120.1 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.4 | -43.6 | 175.2 | -85.8 | -16.3 | 0 | 0 | 0 | 112 | D11 F17 M18 D19 | D11-D15 PolarHBondContact O-N 3.28Å; D11-D15 VanDerWaalsContact O-N 3.16Å; D15-F17 VanDerWaalsContact C-N 3.28Å; D15-F17 PolarHBondContact O-N 2.85Å; D15-M18 PolarHBondContact O-N 3.08Å; D15-D19 PolarHBondContact O-N 2.65Å |
| 16 | A | 76.1 | Confident | 65.7 | Low | 57 Ų | 57 | 121.3 Ų | 121.3 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.3 | -31.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D12 | D12-A16 WeakPolarHBondContact O-CB 3.05Å; D12-A16 PolarHBondContact O-N 2.93Å; D12-A16 VanDerWaalsContact O-N 3.13Å |
| 17 | F | 74.5 | Confident | 66.5 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 46% | 0.461 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.4 | -42.3 | 172.7 | 179.9 | -105.9 | 0 | 0 | 0 | 111.8 | G13 M14 D15 D19 K20 F21 | G13-F17 WeakPolarHBondContact O-CB 3.4Å; G13-F17 PolarHBondContact O-N 2.88Å; M14-F17 WeakPolarHBondContact O-CB 3.44Å; M14-F17 PolarHBondContact O-N 2.86Å; D15-F17 VanDerWaalsContact C-N 3.28Å; D15-F17 PolarHBondContact O-N 2.85Å; F17-D19 PolarHBondContact O-N 3.33Å; F17-K20 WeakPolarHBondContact O-CB 3.43Å; F17-K20 PolarHBondContact O-N 3.49Å; F17-F21 AromaticContact CD1-CE2 3.84Å; F17-F21 HydrophobicContact CD1-CE2 3.84Å; F17-F21 AromaticContact CE1-CE2 3.44Å; F17-F21 HydrophobicContact CE1-CE2 3.44Å; F17-F21 VanDerWaalsContact CE1-CE2 3.44Å; F17-F21 AromaticContact CE1-CZ 3.89Å; F17-F21 HydrophobicContact CE1-CZ 3.89Å; F17-F21 HydrophobicContact CE2-CE2 4.25Å; F17-F21 HydrophobicContact CE2-CZ 4.48Å; F17-F21 HydrophobicContact CG-CE2 4.41Å; F17-F21 AromaticContact CZ-CE2 3.66Å; F17-F21 HydrophobicContact CZ-CE2 3.66Å; F17-F21 AromaticContact CZ-CZ 3.76Å; F17-F21 HydrophobicContact CZ-CZ 3.76Å; F17-F21 WeakPolarHBondContact O-CD2 3.34Å |
| 18 | M | 76.9 | Confident | 67.3 | Low | 112 Ų | 112 | 121 Ų | 121 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.4 | -35.8 | 178.6 | -70.7 | -65.1 | -98.4 | 0 | 0 | 112.5 | M14 D15 K20 F21 | M14-M18 WeakPolarHBondContact O-CB 3.39Å; M14-M18 VanDerWaalsContact O-CG 3.26Å; M14-M18 WeakPolarHBondContact O-CG 3.47Å; M14-M18 PolarHBondContact O-N 3.34Å; D15-M18 PolarHBondContact O-N 3.08Å; M18-K20 PolarHBondContact O-N 3.43Å; M18-F21 PolarHBondContact O-N 2.93Å; M18-F21 VanDerWaalsContact O-N 3.1Å |
| 19 | D | 79.5 | Confident | 68.2 | Low | 85 Ų | 85 | 118 Ų | 118 | 46% | 0.455 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.2 | -23.4 | 175.6 | -90.9 | -4.2 | 0 | 0 | 0 | 113.6 | D15 F17 F21 K22 S23 | D15-D19 PolarHBondContact O-N 2.65Å; F17-D19 PolarHBondContact O-N 3.33Å; D19-F21 VanDerWaalsContact C-N 3.27Å; D19-F21 PolarHBondContact O-N 3.22Å; D19-K22 PolarHBondContact O-N 2.95Å; D19-K22 WeakPolarHBondContact OD1-CD 3.26Å; D19-K22 WeakPolarHBondContact OD1-CE 3.17Å; D19-K22 IonicContact OD1-NZ 3.45Å; D19-K22 PolarHBondContact OD1-NZ 2.86Å; D19-S23 PolarHBondContact O-OG 2.84Å |
| 20 | K | 77.1 | Confident | 69.1 | Low | 116 Ų | 116 | 114.6 Ų | 114.6 | 50% | 0.504 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.9 | -31.9 | 171.6 | -67.7 | 173.5 | -177.6 | 174.5 | 0 | 111.9 | F17 M18 K22 S23 Q24 | F17-K20 WeakPolarHBondContact O-CB 3.43Å; F17-K20 PolarHBondContact O-N 3.49Å; M18-K20 PolarHBondContact O-N 3.43Å; K20-K22 VanDerWaalsContact C-N 3.33Å; K20-K22 PolarHBondContact O-N 3.42Å; K20-S23 PolarHBondContact O-N 3.43Å; K20-S23 PolarHBondContact O-OG 2.84Å; K20-Q24 WeakPolarHBondContact O-CB 3.31Å; K20-Q24 WeakPolarHBondContact O-CG 3.37Å; K20-Q24 PolarHBondContact O-N 2.84Å |
| 21 | F | 72.4 | Confident | 70.1 | Confident | 131 Ų | 131 | 116.3 Ų | 116.3 | 58% | 0.575 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74.6 | -20.6 | 177.9 | -66.4 | -85.2 | 0 | 0 | 0 | 113.6 | F17 M18 D19 | F17-F21 AromaticContact CD1-CE2 3.84Å; F17-F21 HydrophobicContact CD1-CE2 3.84Å; F17-F21 AromaticContact CE1-CE2 3.44Å; F17-F21 HydrophobicContact CE1-CE2 3.44Å; F17-F21 VanDerWaalsContact CE1-CE2 3.44Å; F17-F21 AromaticContact CE1-CZ 3.89Å; F17-F21 HydrophobicContact CE1-CZ 3.89Å; F17-F21 HydrophobicContact CE2-CE2 4.25Å; F17-F21 HydrophobicContact CE2-CZ 4.48Å; F17-F21 HydrophobicContact CG-CE2 4.41Å; F17-F21 AromaticContact CZ-CE2 3.66Å; F17-F21 HydrophobicContact CZ-CE2 3.66Å; F17-F21 AromaticContact CZ-CZ 3.76Å; F17-F21 HydrophobicContact CZ-CZ 3.76Å; F17-F21 WeakPolarHBondContact O-CD2 3.34Å; M18-F21 PolarHBondContact O-N 2.93Å; M18-F21 VanDerWaalsContact O-N 3.1Å; D19-F21 VanDerWaalsContact C-N 3.27Å; D19-F21 PolarHBondContact O-N 3.22Å |
| 22 | K | 75.9 | Confident | 71 | Confident | 170 Ų | 170 | 116.9 Ų | 116.9 | 74% | 0.739 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -76.2 | -29.3 | 175.2 | -63.2 | 177.7 | -171.6 | 158.7 | 0 | 112.3 | D19 K20 | D19-K22 PolarHBondContact O-N 2.95Å; D19-K22 WeakPolarHBondContact OD1-CD 3.26Å; D19-K22 WeakPolarHBondContact OD1-CE 3.17Å; D19-K22 IonicContact OD1-NZ 3.45Å; D19-K22 PolarHBondContact OD1-NZ 2.86Å; K20-K22 VanDerWaalsContact C-N 3.33Å; K20-K22 PolarHBondContact O-N 3.42Å |
| 23 | S | 72.6 | Confident | 71.7 | Confident | 98 Ų | 98 | 118.6 Ų | 118.6 | 69% | 0.685 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -101.9 | -28.1 | -174.8 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | D19 K20 | D19-S23 PolarHBondContact O-OG 2.84Å; K20-S23 PolarHBondContact O-N 3.43Å; K20-S23 PolarHBondContact O-OG 2.84Å |
| 24 | Q | 69.6 | Low | 72.1 | Confident | 123 Ų | 123 | 119.5 Ų | 119.5 | 58% | 0.575 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -97.4 | 123 | 180 | -61.1 | -172.5 | -3.4 | 0 | 0 | 111.6 | K20 | K20-Q24 WeakPolarHBondContact O-CB 3.31Å; K20-Q24 WeakPolarHBondContact O-CG 3.37Å; K20-Q24 PolarHBondContact O-N 2.84Å |
| 25 | R | 62.8 | Low | 72.9 | Confident | 231 Ų | 231 | 119.9 Ų | 119.9 | 87% | 0.872 | 59% | 0.587 | S | S | * | * | trans | -69.7 | 137.6 | 172.8 | -148.7 | 174.3 | 179 | 152.4 | -0.5 | 109.5 | K27 | R25-K27 WeakPolarHBondContact O-CG 3.13Å; R25-K27 PolarHBondContact O-N 3.02Å | ||
| 26 | Y | 61.6 | Low | 73.3 | Confident | 164 Ų | 164 | 119.1 Ų | 119.1 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | trans | -56.1 | 108.3 | 179.6 | -170.9 | -113 | 0 | 0 | 0 | 110.5 | N28 A29 | Y26-N28 WeakPolarHBondContact CE1-O 3.19Å; Y26-A29 HydrophobicContact CD1-CB 3.79Å; Y26-A29 VanDerWaalsContact CD1-N 3.29Å; Y26-A29 HydrophobicContact CE1-CB 4.28Å; Y26-A29 VanDerWaalsContact CE1-N 3.35Å | ||
| 27 | K | 62.8 | Low | 73.6 | Confident | 176 Ų | 176 | 122.5 Ų | 122.5 | 77% | 0.765 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -23.4 | -170.2 | -66.9 | -174.2 | 179.7 | 175 | 0 | 113.8 | R25 | R25-K27 WeakPolarHBondContact O-CG 3.13Å; R25-K27 PolarHBondContact O-N 3.02Å |
| 28 | N | 64.9 | Low | 73.9 | Confident | 133 Ų | 133 | 120.4 Ų | 120.4 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 38.7 | -177 | -63.2 | -10.6 | 0 | 0 | 0 | 111.4 | Y26 F30 | Y26-N28 WeakPolarHBondContact CE1-O 3.19Å; N28-F30 PolarHBondContact O-N 2.82Å |
| 29 | A | 65.9 | Low | 74.3 | Confident | 58 Ų | 58 | 118.1 Ų | 118.1 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 138.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y26 T31 | Y26-A29 HydrophobicContact CD1-CB 3.79Å; Y26-A29 VanDerWaalsContact CD1-N 3.29Å; Y26-A29 HydrophobicContact CE1-CB 4.28Å; Y26-A29 VanDerWaalsContact CE1-N 3.35Å; A29-T31 PolarHBondContact O-N 3.17Å; A29-T31 VanDerWaalsContact O-N 3.14Å |
| 30 | F | 70.6 | Confident | 74.5 | Confident | 88 Ų | 88 | 116.2 Ų | 116.2 | 39% | 0.386 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 122.6 | 170.8 | -56 | -57.9 | 0 | 0 | 0 | 108.7 | N28 W35 E38 F39 I42 | N28-F30 PolarHBondContact O-N 2.82Å; F30-W35 HydrophobicContact CB-CB 3.61Å; F30-W35 HydrophobicContact CG-CB 4.37Å; F30-E38 HydrophobicContact CD1-CB 3.53Å; F30-E38 HydrophobicContact CD1-CG 4.2Å; F30-E38 HydrophobicContact CE1-CB 3.55Å; F30-E38 HydrophobicContact CE1-CG 4.5Å; F30-F39 HydrophobicContact CE2-CD2 4.16Å; F30-F39 HydrophobicContact CE2-CE2 4.39Å; F30-F39 HydrophobicContact CZ-CD2 4.26Å; F30-I42 HydrophobicContact CZ-CD1 3.87Å |
| 31 | T | 76.7 | Confident | 74.7 | Confident | 83 Ų | 83 | 115.2 Ų | 115.2 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -85.3 | 145.8 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | A29 N33 N34 W35 | A29-T31 PolarHBondContact O-N 3.17Å; A29-T31 VanDerWaalsContact O-N 3.14Å; T31-N33 PolarHBondContact O-N 3.08Å; T31-N34 PolarHBondContact O-N 3.36Å; T31-N34 WeakPolarHBondContact OG1-CB 3.2Å; T31-W35 PolarHBondContact O-N 3.43Å |
| 32 | D | 77.4 | Confident | 75.3 | Confident | 146 Ų | 146 | 111.3 Ų | 111.3 | 78% | 0.781 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -22.4 | -178.2 | -69.2 | -10.8 | 0 | 0 | 0 | 114.9 | W35 | D32-W35 PolarHBondContact O-NE1 3.27Š|
| 33 | N | 79.3 | Confident | 75.7 | Confident | 162 Ų | 162 | 104.9 Ų | 104.9 | 87% | 0.866 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -14.2 | -180 | -62.8 | -16.9 | 0 | 0 | 0 | 114.7 | T31 | T31-N33 PolarHBondContact O-N 3.08Š|
| 34 | N | 78.1 | Confident | 76.3 | Confident | 51 Ų | 51 | 107.7 Ų | 107.7 | 27% | 0.273 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 0.2 | -174.3 | -169 | 33.4 | 0 | 0 | 0 | 113.2 | T31 E36 E37 E38 | T31-N34 PolarHBondContact O-N 3.36Å; T31-N34 WeakPolarHBondContact OG1-CB 3.2Å; N34-E36 VanDerWaalsContact C-N 3.31Å; N34-E36 PolarHBondContact O-N 3.36Å; N34-E37 PolarHBondContact O-N 2.96Å; N34-E37 WeakPolarHBondContact OD1-CB 3.45Å; N34-E37 PolarHBondContact OD1-OE2 3.34Å; N34-E38 PolarHBondContact ND2-OE1 2.85Å; N34-E38 VanDerWaalsContact ND2-OE1 3.14Å; N34-E38 WeakPolarHBondContact O-CG 3.3Å; N34-E38 PolarHBondContact O-N 3.08Å |
| 35 | W | 82.8 | Confident | 77 | Confident | 124 Ų | 124 | 106.3 Ų | 106.3 | 47% | 0.47 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | -174.8 | 70.4 | -88.3 | 0 | 0 | 0 | 112.2 | F30 T31 D32 E37 E38 F39 | F30-W35 HydrophobicContact CB-CB 3.61Å; F30-W35 HydrophobicContact CG-CB 4.37Å; T31-W35 PolarHBondContact O-N 3.43Å; D32-W35 PolarHBondContact O-NE1 3.27Å; W35-E37 VanDerWaalsContact C-N 3.35Å; W35-E37 PolarHBondContact O-N 3.39Å; W35-E38 PolarHBondContact O-N 3.38Å; W35-F39 VanDerWaalsContact O-CB 3.25Å; W35-F39 WeakPolarHBondContact O-CB 3.3Å; W35-F39 PolarHBondContact O-N 3.48Å |
| 36 | E | 81.9 | Confident | 78 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | -176.7 | -174.2 | 171.7 | -165 | 0 | 0 | 112.1 | N34 N40 K47 | N34-E36 VanDerWaalsContact C-N 3.31Å; N34-E36 PolarHBondContact O-N 3.36Å; E36-N40 WeakPolarHBondContact O-CB 3.44Å; E36-N40 VanDerWaalsContact O-CG 3.28Å; E36-N40 PolarHBondContact O-N 2.91Å; E36-N40 PolarHBondContact O-ND2 3.22Å; E36-K47 IonicContact OE1-NZ 2.86Å; E36-K47 PolarHBondContact OE1-NZ 2.8Å |
| 37 | E | 82.1 | Confident | 79.1 | Confident | 128 Ų | 128 | 96.4 Ų | 96.4 | 60% | 0.598 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.2 | -43 | 177.2 | -60.4 | -172.7 | -176.2 | 0 | 0 | 111.4 | N34 W35 N40 K41 | N34-E37 PolarHBondContact O-N 2.96Å; N34-E37 WeakPolarHBondContact OD1-CB 3.45Å; N34-E37 PolarHBondContact OD1-OE2 3.34Å; W35-E37 VanDerWaalsContact C-N 3.35Å; W35-E37 PolarHBondContact O-N 3.39Å; E37-N40 PolarHBondContact O-N 3.29Å; E37-K41 WeakPolarHBondContact O-CG 3.48Å; E37-K41 PolarHBondContact O-N 3.21Å |
| 38 | E | 81.8 | Confident | 79.9 | Confident | 61 Ų | 61 | 93.2 Ų | 93.2 | 29% | 0.285 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 176.5 | -62.7 | -58.4 | 148.7 | 0 | 0 | 112 | F30 N34 W35 N40 K41 | F30-E38 HydrophobicContact CD1-CB 3.53Å; F30-E38 HydrophobicContact CD1-CG 4.2Å; F30-E38 HydrophobicContact CE1-CB 3.55Å; F30-E38 HydrophobicContact CE1-CG 4.5Å; N34-E38 PolarHBondContact ND2-OE1 2.85Å; N34-E38 VanDerWaalsContact ND2-OE1 3.14Å; N34-E38 WeakPolarHBondContact O-CG 3.3Å; N34-E38 PolarHBondContact O-N 3.08Å; W35-E38 PolarHBondContact O-N 3.38Å; E38-N40 VanDerWaalsContact C-N 3.34Å; E38-K41 WeakPolarHBondContact O-CB 3.41Å; E38-K41 PolarHBondContact O-N 3.23Å; E38-K41 VanDerWaalsContact O-N 3.16Å; E38-K41 IonicContact OE1-NZ 3.97Å; E38-K41 PolarHBondContact OE1-NZ 2.79Å; E38-K41 IonicContact OE2-NZ 3.54Å; E38-K41 PolarHBondContact OE2-NZ 2.84Å |
| 39 | F | 84.7 | Confident | 80.5 | Confident | 64 Ų | 64 | 90.8 Ų | 90.8 | 28% | 0.281 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 176.9 | -142.1 | -115.3 | 0 | 0 | 0 | 111.6 | F30 W35 K41 I42 F45 | F30-F39 HydrophobicContact CE2-CD2 4.16Å; F30-F39 HydrophobicContact CE2-CE2 4.39Å; F30-F39 HydrophobicContact CZ-CD2 4.26Å; W35-F39 VanDerWaalsContact O-CB 3.25Å; W35-F39 WeakPolarHBondContact O-CB 3.3Å; W35-F39 PolarHBondContact O-N 3.48Å; F39-K41 PolarHBondContact O-N 3.11Å; F39-I42 HydrophobicContact CD2-CD1 4.28Å; F39-I42 PolarHBondContact O-N 3.04Å; F39-I42 VanDerWaalsContact O-N 3.1Å; F39-F45 HydrophobicContact CD1-CB 3.25Å; F39-F45 HydrophobicContact CD1-CD1 4.27Å; F39-F45 HydrophobicContact CD1-CD2 4.11Å; F39-F45 AromaticContact CD1-CG 3.65Å; F39-F45 HydrophobicContact CD1-CG 3.65Å; F39-F45 HydrophobicContact CD2-CD2 4.24Å; F39-F45 HydrophobicContact CE1-CB 3.23Å; F39-F45 AromaticContact CE1-CD1 3.33Å; F39-F45 HydrophobicContact CE1-CD1 3.33Å; F39-F45 AromaticContact CE1-CD2 3.6Å; F39-F45 HydrophobicContact CE1-CD2 3.6Å; F39-F45 HydrophobicContact CE1-CE1 4.01Å; F39-F45 HydrophobicContact CE1-CE2 4.25Å; F39-F45 AromaticContact CE1-CG 3.08Å; F39-F45 HydrophobicContact CE1-CG 3.08Å; F39-F45 HydrophobicContact CE1-CZ 4.43Å; F39-F45 AromaticContact CE2-CD2 3.73Å; F39-F45 HydrophobicContact CE2-CD2 3.73Å; F39-F45 AromaticContact CE2-CE2 3.95Å; F39-F45 HydrophobicContact CE2-CE2 3.95Å; F39-F45 HydrophobicContact CE2-CG 4.13Å; F39-F45 HydrophobicContact CG-CB 4.03Å; F39-F45 HydrophobicContact CG-CD2 4.4Å; F39-F45 HydrophobicContact CG-CG 4.36Å; F39-F45 HydrophobicContact CZ-CB 3.98Å; F39-F45 AromaticContact CZ-CD1 3.57Å; F39-F45 HydrophobicContact CZ-CD1 3.57Å; F39-F45 AromaticContact CZ-CD2 3.37Å; F39-F45 HydrophobicContact CZ-CD2 3.37Å; F39-F45 AromaticContact CZ-CE1 3.79Å; F39-F45 HydrophobicContact CZ-CE1 3.79Å; F39-F45 AromaticContact CZ-CE2 3.61Å; F39-F45 HydrophobicContact CZ-CE2 3.61Å; F39-F45 AromaticContact CZ-CG 3.35Å; F39-F45 HydrophobicContact CZ-CG 3.35Å; F39-F45 AromaticContact CZ-CZ 3.81Å; F39-F45 HydrophobicContact CZ-CZ 3.81Å |
| 40 | N | 83.6 | Confident | 81.2 | Confident | 45 Ų | 45 | 89.7 Ų | 89.7 | 24% | 0.241 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.1 | -18.8 | 174.4 | -81.8 | -42.9 | 0 | 0 | 0 | 113.5 | E36 E37 E38 M46 K47 | E36-N40 WeakPolarHBondContact O-CB 3.44Å; E36-N40 VanDerWaalsContact O-CG 3.28Å; E36-N40 PolarHBondContact O-N 2.91Å; E36-N40 PolarHBondContact O-ND2 3.22Å; E37-N40 PolarHBondContact O-N 3.29Å; E38-N40 VanDerWaalsContact C-N 3.34Å; N40-M46 VanDerWaalsContact O-CG 3.29Å; N40-M46 WeakPolarHBondContact O-CG 3.18Å; N40-K47 WeakPolarHBondContact OD1-CG 3.48Å; N40-K47 PolarHBondContact OD1-N 3.1Å |
| 41 | K | 81.9 | Confident | 81.2 | Confident | 95 Ų | 95 | 95.5 Ų | 95.5 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.3 | -24.7 | 173.4 | -64.3 | 171.6 | -163.7 | 168.4 | 0 | 112.5 | E37 E38 F39 P43 | E37-K41 WeakPolarHBondContact O-CG 3.48Å; E37-K41 PolarHBondContact O-N 3.21Å; E38-K41 WeakPolarHBondContact O-CB 3.41Å; E38-K41 PolarHBondContact O-N 3.23Å; E38-K41 VanDerWaalsContact O-N 3.16Å; E38-K41 IonicContact OE1-NZ 3.97Å; E38-K41 PolarHBondContact OE1-NZ 2.79Å; E38-K41 IonicContact OE2-NZ 3.54Å; E38-K41 PolarHBondContact OE2-NZ 2.84Å; F39-K41 PolarHBondContact O-N 3.11Å; K41-P43 WeakPolarHBondContact O-CD 3.48Å |
| 42 | I | 84.7 | Confident | 81.2 | Confident | 50 Ų | 50 | 99.7 Ų | 99.7 | 26% | 0.256 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -78.3 | 121.6 | -177.8 | -59.1 | 171.3 | 0 | 0 | 0 | 108.6 | F30 F39 M44 F45 M46 | F30-I42 HydrophobicContact CZ-CD1 3.87Å; F39-I42 HydrophobicContact CD2-CD1 4.28Å; F39-I42 PolarHBondContact O-N 3.04Å; F39-I42 VanDerWaalsContact O-N 3.1Å; I42-M44 HydrophobicContact CG2-CB 4.35Å; I42-M44 PolarHBondContact O-N 3.37Å; I42-F45 HydrophobicContact CB-CD2 4.01Å; I42-F45 HydrophobicContact CD1-CD2 4.31Å; I42-F45 HydrophobicContact CG2-CD2 3.68Å; I42-F45 HydrophobicContact CG2-CE2 4.17Å; I42-F45 PolarHBondContact O-N 3.17Å; I42-M46 PolarHBondContact O-N 3.16Å |
| 43 | P | 83.4 | Confident | 81.2 | Confident | 34 Ų | 34 | 95.4 Ų | 95.4 | 22% | 0.221 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -37.5 | -175.4 | -29.9 | 34.9 | 0 | 0 | 0 | 114.7 | K41 F45 E60 L61 L64 | K41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-F45 VanDerWaalsContact C-N 3.26Å; P43-F45 PolarHBondContact O-N 3.02Å; P43-E60 HydrophobicContact CG-CB 4.07Å; P43-L61 HydrophobicContact CB-CD2 3.59Å; P43-L61 HydrophobicContact CB-CG 4.5Å; P43-L61 HydrophobicContact CG-CD2 3.58Å; P43-L61 HydrophobicContact CG-CG 3.97Å; P43-L64 HydrophobicContact CB-CD1 3.36Å; P43-L64 HydrophobicContact CG-CD1 3.65Å |
| 44 | M | 84.8 | Confident | 81.1 | Confident | 158 Ų | 158 | 90.9 Ų | 90.9 | 78% | 0.778 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -26.3 | -178.7 | -171.4 | 178.3 | -69.7 | 0 | 0 | 113.3 | I42 | I42-M44 HydrophobicContact CG2-CB 4.35Å; I42-M44 PolarHBondContact O-N 3.37Å |
| 45 | F | 85.4 | Confident | 81.1 | Confident | 93 Ų | 93 | 94.6 Ų | 94.6 | 41% | 0.408 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 4.2 | -173.2 | -53.3 | -66.2 | 0 | 0 | 0 | 113.7 | F39 I42 P43 K47 | F39-F45 HydrophobicContact CD1-CB 3.25Å; F39-F45 HydrophobicContact CD1-CD1 4.27Å; F39-F45 HydrophobicContact CD1-CD2 4.11Å; F39-F45 AromaticContact CD1-CG 3.65Å; F39-F45 HydrophobicContact CD1-CG 3.65Å; F39-F45 HydrophobicContact CD2-CD2 4.24Å; F39-F45 HydrophobicContact CE1-CB 3.23Å; F39-F45 AromaticContact CE1-CD1 3.33Å; F39-F45 HydrophobicContact CE1-CD1 3.33Å; F39-F45 AromaticContact CE1-CD2 3.6Å; F39-F45 HydrophobicContact CE1-CD2 3.6Å; F39-F45 HydrophobicContact CE1-CE1 4.01Å; F39-F45 HydrophobicContact CE1-CE2 4.25Å; F39-F45 AromaticContact CE1-CG 3.08Å; F39-F45 HydrophobicContact CE1-CG 3.08Å; F39-F45 HydrophobicContact CE1-CZ 4.43Å; F39-F45 AromaticContact CE2-CD2 3.73Å; F39-F45 HydrophobicContact CE2-CD2 3.73Å; F39-F45 AromaticContact CE2-CE2 3.95Å; F39-F45 HydrophobicContact CE2-CE2 3.95Å; F39-F45 HydrophobicContact CE2-CG 4.13Å; F39-F45 HydrophobicContact CG-CB 4.03Å; F39-F45 HydrophobicContact CG-CD2 4.4Å; F39-F45 HydrophobicContact CG-CG 4.36Å; F39-F45 HydrophobicContact CZ-CB 3.98Å; F39-F45 AromaticContact CZ-CD1 3.57Å; F39-F45 HydrophobicContact CZ-CD1 3.57Å; F39-F45 AromaticContact CZ-CD2 3.37Å; F39-F45 HydrophobicContact CZ-CD2 3.37Å; F39-F45 AromaticContact CZ-CE1 3.79Å; F39-F45 HydrophobicContact CZ-CE1 3.79Å; F39-F45 AromaticContact CZ-CE2 3.61Å; F39-F45 HydrophobicContact CZ-CE2 3.61Å; F39-F45 AromaticContact CZ-CG 3.35Å; F39-F45 HydrophobicContact CZ-CG 3.35Å; F39-F45 AromaticContact CZ-CZ 3.81Å; F39-F45 HydrophobicContact CZ-CZ 3.81Å; I42-F45 HydrophobicContact CB-CD2 4.01Å; I42-F45 HydrophobicContact CD1-CD2 4.31Å; I42-F45 HydrophobicContact CG2-CD2 3.68Å; I42-F45 HydrophobicContact CG2-CE2 4.17Å; I42-F45 PolarHBondContact O-N 3.17Å; P43-F45 VanDerWaalsContact C-N 3.26Å; P43-F45 PolarHBondContact O-N 3.02Å; F45-K47 PolarHBondContact O-N 3.43Å |
| 46 | M | 83.9 | Confident | 80.9 | Confident | 43 Ų | 43 | 96.7 Ų | 96.7 | 21% | 0.212 | 48% | 0.479 | C | S | . | . | trans | -64.4 | 121.5 | 179.7 | -173.2 | 168.4 | -147.1 | 0 | 0 | 110.8 | N40 I42 T48 P50 L61 | N40-M46 VanDerWaalsContact O-CG 3.29Å; N40-M46 WeakPolarHBondContact O-CG 3.18Å; I42-M46 PolarHBondContact O-N 3.16Å; M46-T48 WeakPolarHBondContact CE-O 3.28Å; M46-T48 VanDerWaalsContact CG-O 3.24Å; M46-T48 WeakPolarHBondContact CG-O 3.1Å; M46-P50 VanDerWaalsContact CE-CD 3.44Å; M46-P50 HydrophobicContact CE-CG 3.59Å; M46-P50 HydrophobicContact SD-CG 4.47Å; M46-L61 HydrophobicContact CE-CD1 4.4Å; M46-L61 HydrophobicContact SD-CD1 3.97Å | ||
| 47 | K | 83.6 | Confident | 80.9 | Confident | 144 Ų | 144 | 99.2 Ų | 99.2 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -68.4 | -33.5 | 178.7 | -70.1 | 178.3 | -179.7 | -177.2 | 0 | 113.2 | E36 N40 F45 | E36-K47 IonicContact OE1-NZ 2.86Å; E36-K47 PolarHBondContact OE1-NZ 2.8Å; N40-K47 WeakPolarHBondContact OD1-CG 3.48Å; N40-K47 PolarHBondContact OD1-N 3.1Å; F45-K47 PolarHBondContact O-N 3.43Å |
| 48 | T | 80.3 | Confident | 80.9 | Confident | 110 Ų | 110 | 95.7 Ų | 95.7 | 68% | 0.675 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -144.2 | 122.6 | -178.7 | 52.5 | 0 | 0 | 0 | 0 | 109.7 | M46 | M46-T48 WeakPolarHBondContact CE-O 3.28Å; M46-T48 VanDerWaalsContact CG-O 3.24Å; M46-T48 WeakPolarHBondContact CG-O 3.1Å |
| 49 | A | 77.4 | Confident | 81 | Confident | 81 Ų | 81 | 96.8 Ų | 96.8 | 67% | 0.669 | 48% | 0.483 | S | S | * | . | trans | -67.9 | 143.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 50 | P | 79.8 | Confident | 80.9 | Confident | 35 Ų | 35 | 99.3 Ų | 99.3 | 23% | 0.227 | 50% | 0.495 | C | S | . | . | trans | -65.7 | 148.2 | 173.2 | -12.4 | 29.5 | 0 | 0 | 0 | 110.3 | M46 E52 Y58 L61 | M46-P50 VanDerWaalsContact CE-CD 3.44Å; M46-P50 HydrophobicContact CE-CG 3.59Å; M46-P50 HydrophobicContact SD-CG 4.47Å; P50-E52 VanDerWaalsContact C-N 3.29Å; P50-E52 PolarHBondContact O-N 2.79Å; P50-Y58 HydrophobicContact CB-CE2 4.42Å; P50-Y58 HydrophobicContact CG-CD2 4.24Å; P50-Y58 HydrophobicContact CG-CE2 3.88Å; P50-L61 HydrophobicContact CG-CD1 4.07Å | ||
| 51 | E | 72.1 | Confident | 80.9 | Confident | 211 Ų | 211 | 98.1 Ų | 98.1 | 99% | 0.986 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -68 | -29.7 | 178.1 | -64.2 | -174.9 | 172.9 | 0 | 0 | 112.7 | ||
| 52 | E | 75.7 | Confident | 81 | Confident | 171 Ų | 171 | 94.8 Ų | 94.8 | 80% | 0.799 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -130.6 | 122 | 176.9 | -167.4 | 170.6 | -158.8 | 0 | 0 | 110 | P50 D54 | P50-E52 VanDerWaalsContact C-N 3.29Å; P50-E52 PolarHBondContact O-N 2.79Å; E52-D54 PolarHBondContact O-N 2.99Å |
| 53 | I | 77.2 | Confident | 80.9 | Confident | 55 Ų | 55 | 95.7 Ų | 95.7 | 28% | 0.282 | 49% | 0.489 | S | S | . | . | trans | -91.8 | 97.3 | -178.1 | -60.6 | 170.6 | 0 | 0 | 0 | 108.1 | L61 A62 | I53-L61 HydrophobicContact CG2-CB 3.81Å; I53-A62 HydrophobicContact CG2-CB 4.17Å | ||
| 54 | D | 78.7 | Confident | 80.9 | Confident | 68 Ų | 68 | 97.8 Ų | 97.8 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | trans | -80.7 | 120.9 | 172.1 | -179.9 | 3.8 | 0 | 0 | 0 | 110.4 | E52 K56 K57 Y58 | E52-D54 PolarHBondContact O-N 2.99Å; D54-K56 PolarHBondContact O-N 3.33Å; D54-K56 VanDerWaalsContact O-N 3.14Å; D54-K56 PolarHBondContact OD1-N 2.83Å; D54-K57 HydrophobicContact CB-CB 4.07Å; D54-K57 PolarHBondContact O-N 2.95Å; D54-Y58 PolarHBondContact O-N 3.19Å | ||
| 55 | H | 77 | Confident | 80.7 | Confident | 128 Ų | 128 | 94.2 Ų | 94.2 | 59% | 0.593 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -28.8 | 176.4 | 68.1 | 120.6 | 0 | 0 | 0 | 114.1 | A62 | H55-A62 HydrophobicContact CB-CB 4.33Š|
| 56 | K | 78.9 | Confident | 80.5 | Confident | 169 Ų | 169 | 93.1 Ų | 93.1 | 74% | 0.735 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -27.5 | 177.4 | -67.3 | -179.4 | -172.1 | 175.4 | 0 | 113.3 | D54 | D54-K56 PolarHBondContact O-N 3.33Å; D54-K56 VanDerWaalsContact O-N 3.14Å; D54-K56 PolarHBondContact OD1-N 2.83Å |
| 57 | K | 81.3 | Confident | 80.4 | Confident | 141 Ų | 141 | 95.8 Ų | 95.8 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -36.4 | -175.1 | -167.1 | 175.3 | 178 | -179.7 | 0 | 112.2 | D54 | D54-K57 HydrophobicContact CB-CB 4.07Å; D54-K57 PolarHBondContact O-N 2.95Å |
| 58 | Y | 81.9 | Confident | 80.1 | Confident | 54 Ų | 54 | 93.7 Ų | 93.7 | 21% | 0.212 | 49% | 0.492 | C | S | . | . | trans | -135.8 | 74.6 | -178.1 | -55.7 | -71.6 | 0 | 0 | 0 | 111.2 | P50 D54 E60 L61 A62 | P50-Y58 HydrophobicContact CB-CE2 4.42Å; P50-Y58 HydrophobicContact CG-CD2 4.24Å; P50-Y58 HydrophobicContact CG-CE2 3.88Å; D54-Y58 PolarHBondContact O-N 3.19Å; Y58-E60 PolarHBondContact O-N 3.36Å; Y58-L61 HydrophobicContact CD1-CD1 4.26Å; Y58-L61 HydrophobicContact CD2-CD1 4.41Å; Y58-L61 HydrophobicContact CG-CD1 3.93Å; Y58-L61 PolarHBondContact O-N 3.48Å; Y58-A62 PolarHBondContact O-N 3.46Å | ||
| 59 | P | 84.2 | Confident | 79.5 | Confident | 84 Ų | 84 | 93.4 Ų | 93.4 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -34.2 | -177.5 | 24.5 | -34 | 0 | 0 | 0 | 112.5 | A62 C63 | P59-A62 PolarHBondContact O-N 2.89Å; P59-C63 WeakPolarHBondContact O-CB 3.37Å; P59-C63 PolarHBondContact O-N 2.88Å |
| 60 | E | 83.6 | Confident | 79.4 | Confident | 116 Ų | 116 | 92.6 Ų | 92.6 | 54% | 0.542 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 179.1 | -64.6 | 163.1 | -167.9 | 0 | 0 | 112.1 | P43 Y58 C63 L64 | P43-E60 HydrophobicContact CG-CB 4.07Å; Y58-E60 PolarHBondContact O-N 3.36Å; E60-C63 PolarHBondContact O-N 3.13Å; E60-L64 WeakPolarHBondContact O-CG 3.29Å; E60-L64 PolarHBondContact O-N 3.41Å |
| 61 | L | 83.8 | Confident | 78.8 | Confident | 20 Ų | 20 | 99.1 Ų | 99.1 | 11% | 0.105 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 174.7 | -72.7 | 175.2 | 0 | 0 | 0 | 111.3 | P43 M46 P50 I53 Y58 C63 L64 Q65 | P43-L61 HydrophobicContact CB-CD2 3.59Å; P43-L61 HydrophobicContact CB-CG 4.5Å; P43-L61 HydrophobicContact CG-CD2 3.58Å; P43-L61 HydrophobicContact CG-CG 3.97Å; M46-L61 HydrophobicContact CE-CD1 4.4Å; M46-L61 HydrophobicContact SD-CD1 3.97Å; P50-L61 HydrophobicContact CG-CD1 4.07Å; I53-L61 HydrophobicContact CG2-CB 3.81Å; Y58-L61 HydrophobicContact CD1-CD1 4.26Å; Y58-L61 HydrophobicContact CD2-CD1 4.41Å; Y58-L61 HydrophobicContact CG-CD1 3.93Å; Y58-L61 PolarHBondContact O-N 3.48Å; L61-C63 VanDerWaalsContact C-N 3.33Å; L61-C63 PolarHBondContact O-N 3.18Å; L61-L64 PolarHBondContact O-N 3.17Å; L61-Q65 VanDerWaalsContact O-CB 3.31Å; L61-Q65 WeakPolarHBondContact O-CB 3.41Å; L61-Q65 PolarHBondContact O-N 2.99Å |
| 62 | A | 82.8 | Confident | 78.7 | Confident | 25 Ų | 25 | 96.3 Ų | 96.3 | 21% | 0.207 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I53 H55 Y58 P59 Q65 S66 | I53-A62 HydrophobicContact CG2-CB 4.17Å; H55-A62 HydrophobicContact CB-CB 4.33Å; Y58-A62 PolarHBondContact O-N 3.46Å; P59-A62 PolarHBondContact O-N 2.89Å; A62-Q65 WeakPolarHBondContact O-CB 3.46Å; A62-Q65 PolarHBondContact O-N 3.45Å; A62-S66 PolarHBondContact O-N 2.99Å; A62-S66 PolarHBondContact O-OG 3.21Å |
| 63 | C | 84.1 | Confident | 78.8 | Confident | 69 Ų | 69 | 92.7 Ų | 92.7 | 47% | 0.466 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | P59 E60 L61 Q65 S66 I67 | P59-C63 WeakPolarHBondContact O-CB 3.37Å; P59-C63 PolarHBondContact O-N 2.88Å; E60-C63 PolarHBondContact O-N 3.13Å; L61-C63 VanDerWaalsContact C-N 3.33Å; L61-C63 PolarHBondContact O-N 3.18Å; C63-Q65 VanDerWaalsContact C-N 3.3Å; C63-Q65 PolarHBondContact O-N 3.43Å; C63-S66 WeakPolarHBondContact CA-OG 3.3Å; C63-S66 PolarHBondContact O-N 2.9Å; C63-S66 PolarHBondContact O-OG 3.32Å; C63-I67 WeakPolarHBondContact O-CG1 3.47Å; C63-I67 PolarHBondContact O-N 2.92Å |
| 64 | L | 82.7 | Confident | 79.1 | Confident | 79 Ų | 79 | 92.3 Ų | 92.3 | 41% | 0.414 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 174.1 | -71.6 | 171.7 | 0 | 0 | 0 | 111.4 | P43 E60 L61 S66 I67 I68 | P43-L64 HydrophobicContact CB-CD1 3.36Å; P43-L64 HydrophobicContact CG-CD1 3.65Å; E60-L64 WeakPolarHBondContact O-CG 3.29Å; E60-L64 PolarHBondContact O-N 3.41Å; L61-L64 PolarHBondContact O-N 3.17Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 2.59Å; L64-I67 PolarHBondContact O-N 3.25Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.43Å; L64-I68 PolarHBondContact O-N 3.02Å |
| 65 | Q | 79.9 | Confident | 79.3 | Confident | 82 Ų | 82 | 91.8 Ų | 91.8 | 38% | 0.383 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 176.3 | -166.9 | 177.3 | 8.5 | 0 | 0 | 111.2 | L61 A62 C63 I67 I68 H69 | L61-Q65 VanDerWaalsContact O-CB 3.31Å; L61-Q65 WeakPolarHBondContact O-CB 3.41Å; L61-Q65 PolarHBondContact O-N 2.99Å; A62-Q65 WeakPolarHBondContact O-CB 3.46Å; A62-Q65 PolarHBondContact O-N 3.45Å; C63-Q65 VanDerWaalsContact C-N 3.3Å; C63-Q65 PolarHBondContact O-N 3.43Å; Q65-I67 VanDerWaalsContact C-N 3.35Å; Q65-I67 PolarHBondContact O-N 3.49Å; Q65-I68 PolarHBondContact O-N 2.99Å; Q65-H69 WeakPolarHBondContact O-CB 3.28Å; Q65-H69 PolarHBondContact O-CD2 3.46Å; Q65-H69 VanDerWaalsContact O-CD2 3.29Å; Q65-H69 PolarHBondContact O-N 3.45Å |
| 66 | S | 81.8 | Confident | 79.7 | Confident | 71 Ų | 71 | 88 Ų | 88 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66 | -34.6 | 175.6 | 60.7 | 0 | 0 | 0 | 0 | 113 | A62 C63 L64 H69 D70 | A62-S66 PolarHBondContact O-N 2.99Å; A62-S66 PolarHBondContact O-OG 3.21Å; C63-S66 WeakPolarHBondContact CA-OG 3.3Å; C63-S66 PolarHBondContact O-N 2.9Å; C63-S66 PolarHBondContact O-OG 3.32Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 2.59Å; S66-H69 CarbonylContact O-C 3.57Å; S66-D70 WeakPolarHBondContact O-CA 3.43Å; S66-D70 PolarHBondContact O-N 2.92Å; S66-D70 VanDerWaalsContact O-N 3.09Å |
| 67 | I | 82.1 | Confident | 80 | Confident | 99 Ų | 99 | 85.2 Ų | 85.2 | 51% | 0.508 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.7 | -39.4 | 175.8 | -67.1 | 164.4 | 0 | 0 | 0 | 111.2 | C63 L64 Q65 R73 | C63-I67 WeakPolarHBondContact O-CG1 3.47Å; C63-I67 PolarHBondContact O-N 2.92Å; L64-I67 PolarHBondContact O-N 3.25Å; Q65-I67 VanDerWaalsContact C-N 3.35Å; Q65-I67 PolarHBondContact O-N 3.49Å; I67-R73 PolarHBondContact O-NH2 2.83Å |
| 68 | I | 76.4 | Confident | 80.2 | Confident | 100 Ų | 100 | 80 Ų | 80 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -73.6 | -45.2 | -179.4 | -67.8 | 166.9 | 0 | 0 | 0 | 110.5 | L64 Q65 R73 | L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.43Å; L64-I68 PolarHBondContact O-N 3.02Å; Q65-I68 PolarHBondContact O-N 2.99Å; I68-R73 PolarHBondContact O-NH1 3.36Å |
| 69 | H | 69.1 | Low | 80.5 | Confident | 104 Ų | 104 | 77.4 Ų | 77.4 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 35.7 | -176.7 | -60.3 | -72.3 | 0 | 0 | 0 | 112.9 | Q65 S66 E71 | Q65-H69 WeakPolarHBondContact O-CB 3.28Å; Q65-H69 PolarHBondContact O-CD2 3.46Å; Q65-H69 VanDerWaalsContact O-CD2 3.29Å; Q65-H69 PolarHBondContact O-N 3.45Å; S66-H69 CarbonylContact O-C 3.57Å; H69-E71 PolarHBondContact O-N 2.84Å |
| 70 | D | 74.3 | Confident | 80.8 | Confident | 64 Ų | 64 | 78 Ų | 78 | 34% | 0.342 | 40% | 0.402 | S | S | . | . | trans | -50.8 | 108.4 | 177.1 | -166.9 | -3 | 0 | 0 | 0 | 110.1 | S66 D72 R73 Q78 | S66-D70 WeakPolarHBondContact O-CA 3.43Å; S66-D70 PolarHBondContact O-N 2.92Å; S66-D70 VanDerWaalsContact O-N 3.09Å; D70-D72 PolarHBondContact O-N 3.47Å; D70-D72 PolarHBondContact OD1-N 3.45Å; D70-R73 HydrophobicContact CB-CG 4.27Å; D70-R73 PolarHBondContact O-N 3.14Å; D70-Q78 PolarHBondContact O-NE2 3.41Å | ||
| 71 | E | 66.6 | Low | 81.1 | Confident | 172 Ų | 172 | 75.4 Ų | 75.4 | 80% | 0.804 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.8 | -172.4 | -65.9 | -167.4 | 163.7 | 0 | 0 | 111.3 | H69 R73 Q78 | H69-E71 PolarHBondContact O-N 2.84Å; E71-R73 VanDerWaalsContact C-N 3.28Å; E71-R73 PolarHBondContact O-N 3.49Å; E71-Q78 PolarHBondContact O-NE2 2.84Å |
| 72 | D | 71.9 | Confident | 81.4 | Confident | 152 Ų | 152 | 75.5 Ų | 75.5 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10.4 | 179.5 | -66.4 | -28.8 | 0 | 0 | 0 | 113.3 | D70 | D70-D72 PolarHBondContact O-N 3.47Å; D70-D72 PolarHBondContact OD1-N 3.45Å |
| 73 | R | 75.8 | Confident | 81.9 | Confident | 94 Ų | 94 | 76.5 Ų | 76.5 | 36% | 0.355 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -69 | 146.9 | 173.6 | -69.1 | -173.2 | -166.8 | 150.9 | 13.8 | 111.5 | I67 I68 D70 E71 Q78 | I67-R73 PolarHBondContact O-NH2 2.83Å; I68-R73 PolarHBondContact O-NH1 3.36Å; D70-R73 HydrophobicContact CB-CG 4.27Å; D70-R73 PolarHBondContact O-N 3.14Å; E71-R73 VanDerWaalsContact C-N 3.28Å; E71-R73 PolarHBondContact O-N 3.49Å; R73-Q78 HydrophobicContact CB-CG 3.94Å; R73-Q78 PolarHBondContact O-NE2 3.14Å |
| 74 | S | 84.3 | Confident | 82.4 | Confident | 48 Ų | 48 | 77.4 Ų | 77.4 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | trans | -57.5 | 143.9 | 177.2 | 125.8 | 0 | 0 | 0 | 0 | 110.7 | E76 E77 Q78 | S74-E76 PolarHBondContact O-N 3.46Å; S74-E76 VanDerWaalsContact O-N 3.08Å; S74-E76 PolarHBondContact OG-N 2.97Å; S74-E76 PolarHBondContact OG-OE2 2.92Å; S74-E77 PolarHBondContact O-N 2.94Å; S74-Q78 PolarHBondContact O-N 2.97Å | ||
| 75 | P | 83.4 | Confident | 82.8 | Confident | 57 Ų | 57 | 77.6 Ų | 77.6 | 37% | 0.37 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -51.9 | -34.1 | 178.4 | -27.9 | 35.3 | 0 | 0 | 0 | 113.2 | A79 C110 | P75-A79 WeakPolarHBondContact O-CB 3.42Å; P75-A79 PolarHBondContact O-N 2.73Å; P75-C110 PolarHBondContact O-SG 3.28Å |
| 76 | E | 84.6 | Confident | 83.5 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 177.1 | -65.5 | 65.3 | -143.1 | 0 | 0 | 112.5 | S74 K80 C110 E111 | S74-E76 PolarHBondContact O-N 3.46Å; S74-E76 VanDerWaalsContact O-N 3.08Å; S74-E76 PolarHBondContact OG-N 2.97Å; S74-E76 PolarHBondContact OG-OE2 2.92Å; E76-K80 WeakPolarHBondContact O-CB 3.42Å; E76-K80 VanDerWaalsContact O-CG 3.24Å; E76-K80 WeakPolarHBondContact O-CG 3.39Å; E76-K80 PolarHBondContact O-N 2.99Å; E76-C110 HydrophobicContact CG-CB 4.32Å; E76-E111 PolarHBondContact OE1-N 3.12Å |
| 77 | E | 85.5 | Confident | 84.1 | Confident | 110 Ų | 110 | 72.3 Ų | 72.3 | 51% | 0.514 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.1 | -40.6 | 178.3 | -66.4 | -173.9 | 160.4 | 0 | 0 | 111.2 | S74 A79 K80 S81 | S74-E77 PolarHBondContact O-N 2.94Å; E77-A79 PolarHBondContact O-N 3.43Å; E77-K80 PolarHBondContact O-N 3.16Å; E77-S81 PolarHBondContact O-N 3.29Å |
| 78 | Q | 85.5 | Confident | 84.7 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 173.7 | -66.5 | -177.7 | -1.5 | 0 | 0 | 111.2 | D70 E71 R73 S74 K80 S81 L82 K108 | D70-Q78 PolarHBondContact O-NE2 3.41Å; E71-Q78 PolarHBondContact O-NE2 2.84Å; R73-Q78 HydrophobicContact CB-CG 3.94Å; R73-Q78 PolarHBondContact O-NE2 3.14Å; S74-Q78 PolarHBondContact O-N 2.97Å; Q78-K80 PolarHBondContact O-N 3.43Å; Q78-S81 PolarHBondContact O-N 3.35Å; Q78-L82 WeakPolarHBondContact O-CG 3.43Å; Q78-L82 PolarHBondContact O-N 3Å; Q78-K108 HydrophobicContact CB-CG 4.44Å |
| 79 | A | 88.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.2 | -33 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P75 E77 K83 A105 K108 C110 L115 | P75-A79 WeakPolarHBondContact O-CB 3.42Å; P75-A79 PolarHBondContact O-N 2.73Å; E77-A79 PolarHBondContact O-N 3.43Å; A79-K83 VanDerWaalsContact O-CB 3.25Å; A79-K83 WeakPolarHBondContact O-CB 3.38Å; A79-K83 PolarHBondContact O-N 3.43Å; A79-A105 HydrophobicContact CB-CB 4.34Å; A79-K108 HydrophobicContact CB-CB 4.46Å; A79-C110 WeakPolarHBondContact CB-SG 3.29Å; A79-L115 HydrophobicContact CB-CD2 3.96Å |
| 80 | K | 90 | Very high | 86.7 | Confident | 98 Ų | 98 | 65 Ų | 65 | 43% | 0.426 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 173.1 | -76.7 | 169.4 | -170.7 | 171 | 0 | 111.4 | E76 E77 Q78 K83 D84 L115 | E76-K80 WeakPolarHBondContact O-CB 3.42Å; E76-K80 VanDerWaalsContact O-CG 3.24Å; E76-K80 WeakPolarHBondContact O-CG 3.39Å; E76-K80 PolarHBondContact O-N 2.99Å; E77-K80 PolarHBondContact O-N 3.16Å; Q78-K80 PolarHBondContact O-N 3.43Å; K80-K83 WeakPolarHBondContact O-CB 3.49Å; K80-K83 PolarHBondContact O-N 3.28Å; K80-D84 PolarHBondContact O-N 3.32Å; K80-L115 HydrophobicContact CG-CD1 4.4Å; K80-L115 HydrophobicContact CG-CD2 4.11Å |
| 81 | S | 89.5 | Confident | 87.7 | Confident | 60 Ų | 60 | 70.3 Ų | 70.3 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | E77 Q78 K83 D84 E85 | E77-S81 PolarHBondContact O-N 3.29Å; Q78-S81 PolarHBondContact O-N 3.35Å; S81-K83 VanDerWaalsContact C-N 3.31Å; S81-K83 PolarHBondContact O-N 3.38Å; S81-D84 PolarHBondContact O-N 2.98Å; S81-E85 PolarHBondContact O-N 2.98Å |
| 82 | L | 91.2 | Very high | 89 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 12% | 0.12 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.5 | -34 | 177 | -69.9 | 167.4 | 0 | 0 | 0 | 113 | Q78 D84 G86 A104 A105 K108 | Q78-L82 WeakPolarHBondContact O-CG 3.43Å; Q78-L82 PolarHBondContact O-N 3Å; L82-D84 VanDerWaalsContact C-N 3.35Å; L82-G86 PolarHBondContact O-N 2.98Å; L82-A104 HydrophobicContact CD1-CB 4.2Å; L82-A104 HydrophobicContact CD2-CB 4.38Å; L82-A105 HydrophobicContact CB-CB 3.7Å; L82-A105 HydrophobicContact CD1-CB 4.35Å; L82-K108 HydrophobicContact CD1-CG 4.06Å |
| 83 | K | 93 | Very high | 89.9 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 20% | 0.2 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 172.2 | -178.3 | -156.4 | 71.2 | -171.5 | 0 | 110.8 | A79 K80 S81 G86 N87 L115 V118 L119 | A79-K83 VanDerWaalsContact O-CB 3.25Å; A79-K83 WeakPolarHBondContact O-CB 3.38Å; A79-K83 PolarHBondContact O-N 3.43Å; K80-K83 WeakPolarHBondContact O-CB 3.49Å; K80-K83 PolarHBondContact O-N 3.28Å; S81-K83 VanDerWaalsContact C-N 3.31Å; S81-K83 PolarHBondContact O-N 3.38Å; K83-G86 PolarHBondContact O-N 3.39Å; K83-N87 WeakPolarHBondContact O-CB 3.48Å; K83-N87 PolarHBondContact O-N 3.1Å; K83-N87 PolarHBondContact O-ND2 2.89Å; K83-N87 PolarHBondContact O-OD1 2.95Å; K83-L115 HydrophobicContact CD-CD1 3.94Å; K83-V118 HydrophobicContact CD-CG1 4.47Å; K83-L119 HydrophobicContact CB-CD2 3.75Å; K83-L119 HydrophobicContact CG-CD2 3.85Å |
| 84 | D | 93.5 | Very high | 90.8 | Very high | 87 Ų | 87 | 66.8 Ų | 66.8 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.4 | -36.1 | -178.4 | -67.6 | -24.6 | 0 | 0 | 0 | 111.6 | K80 S81 L82 N87 A88 | K80-D84 PolarHBondContact O-N 3.32Å; S81-D84 PolarHBondContact O-N 2.98Å; L82-D84 VanDerWaalsContact C-N 3.35Å; D84-N87 WeakPolarHBondContact O-CB 3.25Å; D84-N87 PolarHBondContact O-N 3.26Å; D84-A88 PolarHBondContact O-N 3.06Å |
| 85 | E | 91.7 | Very high | 91.2 | Very high | 83 Ų | 83 | 66.7 Ų | 66.7 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 168.7 | -169.8 | -172 | 169 | 0 | 0 | 111.6 | S81 N87 A88 F89 | S81-E85 PolarHBondContact O-N 2.98Å; E85-N87 VanDerWaalsContact C-N 3.25Å; E85-N87 PolarHBondContact O-N 3.01Å; E85-A88 WeakPolarHBondContact O-CB 3.41Å; E85-A88 PolarHBondContact O-N 3.19Å; E85-F89 HydrophobicContact CG-CD2 4.22Å; E85-F89 HydrophobicContact CG-CE2 3.68Å; E85-F89 HydrophobicContact CG-CZ 4.44Å; E85-F89 WeakPolarHBondContact O-CD2 3.39Å; E85-F89 PolarHBondContact O-N 3.4Å; E85-F89 VanDerWaalsContact O-N 3.1Å; E85-F89 WeakPolarHBondContact OE1-CE2 3.16Å |
| 86 | G | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.5 | -37.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L82 K83 F89 F90 Y102 | L82-G86 PolarHBondContact O-N 2.98Å; K83-G86 PolarHBondContact O-N 3.39Å; G86-F89 PolarHBondContact O-N 3.44Å; G86-F90 WeakPolarHBondContact O-CB 3.39Å; G86-F90 PolarHBondContact O-N 3.25Å; G86-Y102 VanDerWaalsContact C-OH 3.32Å; G86-Y102 PolarHBondContact O-OH 3.32Å |
| 87 | N | 93.8 | Very high | 92.1 | Very high | 43 Ų | 43 | 75.4 Ų | 75.4 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.7 | -34 | 175.7 | -68.1 | -23.7 | 0 | 0 | 0 | 112.6 | K83 D84 E85 F90 K91 Y102 N122 | K83-N87 WeakPolarHBondContact O-CB 3.48Å; K83-N87 PolarHBondContact O-N 3.1Å; K83-N87 PolarHBondContact O-ND2 2.89Å; K83-N87 PolarHBondContact O-OD1 2.95Å; D84-N87 WeakPolarHBondContact O-CB 3.25Å; D84-N87 PolarHBondContact O-N 3.26Å; E85-N87 VanDerWaalsContact C-N 3.25Å; E85-N87 PolarHBondContact O-N 3.01Å; N87-F90 PolarHBondContact O-N 2.84Å; N87-K91 WeakPolarHBondContact O-CG 3.34Å; N87-K91 PolarHBondContact O-N 3.36Å; N87-K91 VanDerWaalsContact O-N 3.11Å; N87-Y102 WeakPolarHBondContact CA-OH 3.48Å; N87-Y102 PolarHBondContact N-OH 3.49Å; N87-Y102 PolarHBondContact OD1-OH 3.03Å; N87-N122 PolarHBondContact OD1-ND2 3.35Å |
| 88 | A | 95.2 | Very high | 92.6 | Very high | 43 Ų | 43 | 70.2 Ų | 70.2 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.8 | -51.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D84 E85 F90 K91 E92 | D84-A88 PolarHBondContact O-N 3.06Å; E85-A88 WeakPolarHBondContact O-CB 3.41Å; E85-A88 PolarHBondContact O-N 3.19Å; A88-F90 VanDerWaalsContact C-N 3.26Å; A88-F90 PolarHBondContact O-N 2.94Å; A88-K91 WeakPolarHBondContact O-CB 3.35Å; A88-K91 PolarHBondContact O-N 3.49Å; A88-E92 PolarHBondContact O-N 2.95Å; A88-E92 VanDerWaalsContact O-N 3.07Å |
| 89 | F | 94.6 | Very high | 93 | Very high | 48 Ų | 48 | 69.7 Ų | 69.7 | 21% | 0.211 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.4 | -36.3 | 175.6 | -68.7 | -51.6 | 0 | 0 | 0 | 113 | E85 G86 E92 K93 N94 A98 A101 | E85-F89 HydrophobicContact CG-CD2 4.22Å; E85-F89 HydrophobicContact CG-CE2 3.68Å; E85-F89 HydrophobicContact CG-CZ 4.44Å; E85-F89 WeakPolarHBondContact O-CD2 3.39Å; E85-F89 PolarHBondContact O-N 3.4Å; E85-F89 VanDerWaalsContact O-N 3.1Å; E85-F89 WeakPolarHBondContact OE1-CE2 3.16Å; G86-F89 PolarHBondContact O-N 3.44Å; F89-E92 PolarHBondContact O-N 2.92Å; F89-K93 PolarHBondContact O-N 3.39Å; F89-N94 PolarHBondContact O-N 3.48Å; F89-A98 HydrophobicContact CB-CB 3.88Å; F89-A101 HydrophobicContact CD2-CB 4.44Å |
| 90 | F | 93.4 | Very high | 93.3 | Very high | 58 Ų | 58 | 74.3 Ų | 74.3 | 25% | 0.254 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.2 | -166.7 | -85.2 | 0 | 0 | 0 | 112.1 | G86 N87 A88 E92 K93 Y95 A98 A125 S126 H129 | G86-F90 WeakPolarHBondContact O-CB 3.39Å; G86-F90 PolarHBondContact O-N 3.25Å; N87-F90 PolarHBondContact O-N 2.84Å; A88-F90 VanDerWaalsContact C-N 3.26Å; A88-F90 PolarHBondContact O-N 2.94Å; F90-E92 VanDerWaalsContact C-N 3.33Å; F90-K93 PolarHBondContact O-N 3.1Å; F90-K93 VanDerWaalsContact O-N 3.12Å; F90-Y95 AromaticContact CD2-CD1 3.95Å; F90-Y95 HydrophobicContact CD2-CD1 3.95Å; F90-Y95 HydrophobicContact CD2-CE1 4.13Å; F90-Y95 AromaticContact CE2-CD1 3.95Å; F90-Y95 HydrophobicContact CE2-CD1 3.95Å; F90-Y95 AromaticContact CE2-CE1 3.94Å; F90-Y95 HydrophobicContact CE2-CE1 3.94Å; F90-Y95 HydrophobicContact CZ-CE1 4.14Å; F90-A98 HydrophobicContact CB-CB 4.42Å; F90-A125 HydrophobicContact CE2-CB 4.12Å; F90-A125 HydrophobicContact CZ-CB 4.3Å; F90-S126 WeakPolarHBondContact CD2-OG 3.44Å; F90-H129 AromaticContact CE2-CD2 3.91Å; F90-H129 AromaticContact CZ-CD2 3.67Å; F90-H129 AromaticContact CZ-NE2 3.72Å |
| 91 | K | 94.3 | Very high | 93.4 | Very high | 176 Ų | 176 | 69.9 Ų | 69.9 | 77% | 0.765 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.5 | -37.1 | 176.2 | -71.9 | 172 | -174.2 | 174.6 | 0 | 112 | N87 A88 K93 | N87-K91 WeakPolarHBondContact O-CG 3.34Å; N87-K91 PolarHBondContact O-N 3.36Å; N87-K91 VanDerWaalsContact O-N 3.11Å; A88-K91 WeakPolarHBondContact O-CB 3.35Å; A88-K91 PolarHBondContact O-N 3.49Å; K91-K93 PolarHBondContact O-N 3.29Å |
| 92 | E | 93.8 | Very high | 93.7 | Very high | 136 Ų | 136 | 67.1 Ų | 67.1 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 1.1 | 175.1 | -66.8 | 175.8 | -175.1 | 0 | 0 | 113.3 | A88 F89 F90 N94 | A88-E92 PolarHBondContact O-N 2.95Å; A88-E92 VanDerWaalsContact O-N 3.07Å; F89-E92 PolarHBondContact O-N 2.92Å; F90-E92 VanDerWaalsContact C-N 3.33Å; E92-N94 PolarHBondContact O-N 3.31Å |
| 93 | K | 92.3 | Very high | 93.8 | Very high | 152 Ų | 152 | 67.9 Ų | 67.9 | 66% | 0.661 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 16.4 | -175.2 | -53.4 | 176.3 | 179.1 | 173.6 | 0 | 113.6 | F89 F90 K91 Y95 | F89-K93 PolarHBondContact O-N 3.39Å; F90-K93 PolarHBondContact O-N 3.1Å; F90-K93 VanDerWaalsContact O-N 3.12Å; K91-K93 PolarHBondContact O-N 3.29Å; K93-Y95 HydrophobicContact CB-CE2 3.98Å; K93-Y95 WeakPolarHBondContact O-CD2 3.48Å; K93-Y95 WeakPolarHBondContact O-CE2 3.48Å; K93-Y95 PolarHBondContact O-N 3.44Å |
| 94 | N | 93.6 | Very high | 93.7 | Very high | 56 Ų | 56 | 67.4 Ų | 67.4 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | trans | -86.5 | 66.5 | 176.6 | -160.8 | -2.5 | 0 | 0 | 0 | 111 | F89 E92 K96 Y97 A98 | F89-N94 PolarHBondContact O-N 3.48Å; E92-N94 PolarHBondContact O-N 3.31Å; N94-K96 PolarHBondContact O-N 2.7Å; N94-K96 VanDerWaalsContact O-N 3.12Å; N94-Y97 WeakPolarHBondContact ND2-CD2 3.37Å; N94-Y97 WeakPolarHBondContact ND2-CE2 3.21Å; N94-Y97 PolarHBondContact O-N 3.03Å; N94-Y97 WeakPolarHBondContact OD1-CD2 3.42Å; N94-A98 PolarHBondContact O-N 3.23Å; N94-A98 VanDerWaalsContact O-N 3.16Å | ||
| 95 | Y | 93.6 | Very high | 93.6 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 18% | 0.18 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -23.1 | -170.5 | -52.2 | -66.3 | 0 | 0 | 0 | 114 | F90 K93 V99 H129 | F90-Y95 AromaticContact CD2-CD1 3.95Å; F90-Y95 HydrophobicContact CD2-CD1 3.95Å; F90-Y95 HydrophobicContact CD2-CE1 4.13Å; F90-Y95 AromaticContact CE2-CD1 3.95Å; F90-Y95 HydrophobicContact CE2-CD1 3.95Å; F90-Y95 AromaticContact CE2-CE1 3.94Å; F90-Y95 HydrophobicContact CE2-CE1 3.94Å; F90-Y95 HydrophobicContact CZ-CE1 4.14Å; K93-Y95 HydrophobicContact CB-CE2 3.98Å; K93-Y95 WeakPolarHBondContact O-CD2 3.48Å; K93-Y95 WeakPolarHBondContact O-CE2 3.48Å; K93-Y95 PolarHBondContact O-N 3.44Å; Y95-V99 VanDerWaalsContact O-CG2 3.31Å; Y95-V99 WeakPolarHBondContact O-CG2 3.45Å; Y95-V99 PolarHBondContact O-N 2.95Å; Y95-V99 VanDerWaalsContact O-N 3.15Å; Y95-H129 HydrophobicContact CD1-CB 3.81Å; Y95-H129 HydrophobicContact CD2-CB 3.62Å; Y95-H129 HydrophobicContact CE1-CB 3.77Å; Y95-H129 AromaticContact CE1-CD2 3.61Å; Y95-H129 AromaticContact CE1-CG 3.66Å; Y95-H129 HydrophobicContact CE2-CB 3.59Å; Y95-H129 HydrophobicContact CG-CB 3.73Å; Y95-H129 AromaticContact CZ-CD2 3.97Å; Y95-H129 AromaticContact CZ-CG 3.59Å; Y95-H129 AromaticContact CZ-ND1 3.95Å |
| 96 | K | 93.9 | Very high | 93.5 | Very high | 149 Ų | 149 | 60.7 Ų | 60.7 | 65% | 0.648 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.6 | -48.7 | 177.7 | -67.4 | -177.6 | -176.7 | 175 | 0 | 111.2 | N94 V99 V100 L130 | N94-K96 PolarHBondContact O-N 2.7Å; N94-K96 VanDerWaalsContact O-N 3.12Å; K96-V99 PolarHBondContact O-N 2.88Å; K96-V100 PolarHBondContact O-N 3.2Å; K96-L130 HydrophobicContact CG-CD1 4.38Å; K96-L130 HydrophobicContact CG-CD2 3.98Å |
| 97 | Y | 92.9 | Very high | 93.2 | Very high | 139 Ų | 139 | 66.2 Ų | 66.2 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72 | -35.3 | 179 | -68.6 | -96.7 | 0 | 0 | 0 | 111.2 | N94 V99 V100 A101 | N94-Y97 WeakPolarHBondContact ND2-CD2 3.37Å; N94-Y97 WeakPolarHBondContact ND2-CE2 3.21Å; N94-Y97 PolarHBondContact O-N 3.03Å; N94-Y97 WeakPolarHBondContact OD1-CD2 3.42Å; Y97-V99 VanDerWaalsContact C-N 3.3Å; Y97-V99 PolarHBondContact O-N 3.12Å; Y97-V100 WeakPolarHBondContact O-CB 3.37Å; Y97-V100 PolarHBondContact O-N 3.29Å; Y97-A101 PolarHBondContact O-N 3.23Å |
| 98 | A | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.9 | -43.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F89 F90 N94 V100 A101 Y102 | F89-A98 HydrophobicContact CB-CB 3.88Å; F90-A98 HydrophobicContact CB-CB 4.42Å; N94-A98 PolarHBondContact O-N 3.23Å; N94-A98 VanDerWaalsContact O-N 3.16Å; A98-V100 VanDerWaalsContact C-N 3.34Å; A98-V100 PolarHBondContact O-N 2.91Å; A98-A101 PolarHBondContact O-N 3.45Å; A98-Y102 HydrophobicContact CB-CD2 4.45Å; A98-Y102 HydrophobicContact CB-CE2 4.03Å; A98-Y102 WeakPolarHBondContact O-CD2 3.32Å; A98-Y102 VanDerWaalsContact O-CG 3.31Å; A98-Y102 PolarHBondContact O-N 3.07Å |
| 99 | V | 94.5 | Very high | 91.9 | Very high | 20 Ų | 20 | 74.9 Ų | 74.9 | 12% | 0.121 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.6 | 167.5 | 0 | 0 | 0 | 0 | 112 | Y95 K96 Y97 T103 R123 L130 | Y95-V99 VanDerWaalsContact O-CG2 3.31Å; Y95-V99 WeakPolarHBondContact O-CG2 3.45Å; Y95-V99 PolarHBondContact O-N 2.95Å; Y95-V99 VanDerWaalsContact O-N 3.15Å; K96-V99 PolarHBondContact O-N 2.88Å; Y97-V99 VanDerWaalsContact C-N 3.3Å; Y97-V99 PolarHBondContact O-N 3.12Å; V99-T103 VanDerWaalsContact O-CB 3.27Å; V99-T103 WeakPolarHBondContact O-CB 3.43Å; V99-T103 PolarHBondContact O-N 3.34Å; V99-T103 PolarHBondContact O-OG1 2.93Å; V99-R123 HydrophobicContact CG1-CG 4.43Å; V99-L130 HydrophobicContact CG2-CD1 4.18Å |
| 100 | V | 94.6 | Very high | 91.2 | Very high | 98 Ų | 98 | 72.8 Ų | 72.8 | 59% | 0.594 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.6 | -49.1 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | K96 Y97 A98 Y102 T103 A104 | K96-V100 PolarHBondContact O-N 3.2Å; Y97-V100 WeakPolarHBondContact O-CB 3.37Å; Y97-V100 PolarHBondContact O-N 3.29Å; A98-V100 VanDerWaalsContact C-N 3.34Å; A98-V100 PolarHBondContact O-N 2.91Å; V100-Y102 PolarHBondContact O-N 3.5Å; V100-T103 PolarHBondContact O-N 3.3Å; V100-A104 WeakPolarHBondContact O-CB 3.42Å; V100-A104 PolarHBondContact O-N 2.9Å |
| 101 | A | 93.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 78.4 Ų | 78.4 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F89 Y97 A98 T103 A104 A105 | F89-A101 HydrophobicContact CD2-CB 4.44Å; Y97-A101 PolarHBondContact O-N 3.23Å; A98-A101 PolarHBondContact O-N 3.45Å; A101-T103 VanDerWaalsContact C-N 3.3Å; A101-T103 PolarHBondContact O-N 3.37Å; A101-A104 PolarHBondContact O-N 3.09Å; A101-A105 PolarHBondContact O-N 2.98Å |
| 102 | Y | 94.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -33.2 | 176.6 | -63.3 | -46 | 0 | 0 | 0 | 113 | G86 N87 A98 V100 A105 L106 L119 N122 R123 | G86-Y102 VanDerWaalsContact C-OH 3.32Å; G86-Y102 PolarHBondContact O-OH 3.32Å; N87-Y102 WeakPolarHBondContact CA-OH 3.48Å; N87-Y102 PolarHBondContact N-OH 3.49Å; N87-Y102 PolarHBondContact OD1-OH 3.03Å; A98-Y102 HydrophobicContact CB-CD2 4.45Å; A98-Y102 HydrophobicContact CB-CE2 4.03Å; A98-Y102 WeakPolarHBondContact O-CD2 3.32Å; A98-Y102 VanDerWaalsContact O-CG 3.31Å; A98-Y102 PolarHBondContact O-N 3.07Å; V100-Y102 PolarHBondContact O-N 3.5Å; Y102-A105 PolarHBondContact O-N 3.24Å; Y102-L106 WeakPolarHBondContact O-CG 3.21Å; Y102-L106 PolarHBondContact O-N 3.23Å; Y102-L119 HydrophobicContact CD1-CD2 3.78Å; Y102-N122 HydrophobicContact CD1-CB 4.36Å; Y102-N122 HydrophobicContact CD2-CB 4.22Å; Y102-N122 HydrophobicContact CE1-CB 3.91Å; Y102-N122 HydrophobicContact CE2-CB 3.75Å; Y102-R123 HydrophobicContact CD2-CB 4.3Å; Y102-R123 HydrophobicContact CG-CB 4.49Å |
| 103 | T | 93.1 | Very high | 89.1 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 24% | 0.239 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.7 | -40.4 | 176.2 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | V99 V100 A101 A105 L106 N107 R123 | V99-T103 VanDerWaalsContact O-CB 3.27Å; V99-T103 WeakPolarHBondContact O-CB 3.43Å; V99-T103 PolarHBondContact O-N 3.34Å; V99-T103 PolarHBondContact O-OG1 2.93Å; V100-T103 PolarHBondContact O-N 3.3Å; A101-T103 VanDerWaalsContact C-N 3.3Å; A101-T103 PolarHBondContact O-N 3.37Å; T103-A105 VanDerWaalsContact C-N 3.29Å; T103-A105 PolarHBondContact O-N 3.2Å; T103-L106 PolarHBondContact O-N 3.13Å; T103-N107 PolarHBondContact O-N 3.22Å; T103-N107 PolarHBondContact O-ND2 2.84Å; T103-R123 VanDerWaalsContact OG1-CD 3.3Å; T103-R123 WeakPolarHBondContact OG1-CD 3.23Å; T103-R123 PolarHBondContact OG1-NH1 3.16Å |
| 104 | A | 91.3 | Very high | 88.6 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 30% | 0.298 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L82 V100 A101 N107 K108 | L82-A104 HydrophobicContact CD1-CB 4.2Å; L82-A104 HydrophobicContact CD2-CB 4.38Å; V100-A104 WeakPolarHBondContact O-CB 3.42Å; V100-A104 PolarHBondContact O-N 2.9Å; A101-A104 PolarHBondContact O-N 3.09Å; A104-N107 PolarHBondContact O-N 3.13Å; A104-K108 PolarHBondContact O-N 3.16Å |
| 105 | A | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A79 L82 A101 Y102 T103 N107 K108 L119 | A79-A105 HydrophobicContact CB-CB 4.34Å; L82-A105 HydrophobicContact CB-CB 3.7Å; L82-A105 HydrophobicContact CD1-CB 4.35Å; A101-A105 PolarHBondContact O-N 2.98Å; Y102-A105 PolarHBondContact O-N 3.24Å; T103-A105 VanDerWaalsContact C-N 3.29Å; T103-A105 PolarHBondContact O-N 3.2Å; A105-N107 VanDerWaalsContact C-N 3.28Å; A105-N107 PolarHBondContact O-N 3.42Å; A105-K108 WeakPolarHBondContact O-CB 3.41Å; A105-K108 PolarHBondContact O-N 3.24Å; A105-L119 HydrophobicContact CB-CD1 3.66Å; A105-L119 HydrophobicContact CB-CD2 3.62Å; A105-L119 HydrophobicContact CB-CG 4.29Å |
| 106 | L | 89.7 | Confident | 87.8 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.5 | -32.4 | 176.6 | -73.3 | 166.1 | 0 | 0 | 0 | 112.6 | Y102 T103 K108 K109 N116 L119 L120 R123 | Y102-L106 WeakPolarHBondContact O-CG 3.21Å; Y102-L106 PolarHBondContact O-N 3.23Å; T103-L106 PolarHBondContact O-N 3.13Å; L106-K108 PolarHBondContact O-N 3.36Å; L106-K109 PolarHBondContact O-N 3.3Å; L106-N116 HydrophobicContact CD2-CB 4.4Å; L106-L119 HydrophobicContact CD1-CB 4.43Å; L106-L119 HydrophobicContact CD2-CB 3.76Å; L106-L119 HydrophobicContact CD2-CD1 4.14Å; L106-L119 HydrophobicContact CG-CB 3.92Å; L106-L119 HydrophobicContact CG-CD1 4.28Å; L106-L120 HydrophobicContact CD1-CD2 3.71Å; L106-L120 HydrophobicContact CD1-CG 4.18Å; L106-L120 HydrophobicContact CD2-CD2 4.35Å; L106-L120 HydrophobicContact CD2-CG 4.07Å; L106-R123 VanDerWaalsContact CD1-CZ 3.48Å |
| 107 | N | 89.6 | Confident | 87.3 | Confident | 116 Ų | 116 | 63.7 Ų | 63.7 | 62% | 0.62 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.4 | -17.9 | 177.8 | -71.5 | -15.6 | 0 | 0 | 0 | 113.4 | T103 A104 A105 K109 | T103-N107 PolarHBondContact O-N 3.22Å; T103-N107 PolarHBondContact O-ND2 2.84Å; A104-N107 PolarHBondContact O-N 3.13Å; A105-N107 VanDerWaalsContact C-N 3.28Å; A105-N107 PolarHBondContact O-N 3.42Å; N107-K109 PolarHBondContact O-N 3.32Å |
| 108 | K | 86.4 | Confident | 87 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 39% | 0.391 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -9.6 | 172.4 | -64.3 | -62.6 | -173.2 | 160.4 | 0 | 113.2 | Q78 A79 L82 A104 A105 L106 C110 | Q78-K108 HydrophobicContact CB-CG 4.44Å; A79-K108 HydrophobicContact CB-CB 4.46Å; L82-K108 HydrophobicContact CD1-CG 4.06Å; A104-K108 PolarHBondContact O-N 3.16Å; A105-K108 WeakPolarHBondContact O-CB 3.41Å; A105-K108 PolarHBondContact O-N 3.24Å; L106-K108 PolarHBondContact O-N 3.36Å; K108-C110 PolarHBondContact O-N 3.4Å |
| 109 | K | 75.1 | Confident | 86.7 | Confident | 178 Ų | 178 | 60.1 Ų | 60.1 | 77% | 0.774 | 31% | 0.307 | S | S | * | . | trans | 50.9 | 51.9 | 173.3 | -64.1 | -178.7 | -179.4 | 178.6 | 0 | 113.3 | L106 N107 | L106-K109 PolarHBondContact O-N 3.3Å; N107-K109 PolarHBondContact O-N 3.32Å | ||
| 110 | C | 78.8 | Confident | 86.4 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.034 | 31% | 0.305 | C | S | . | . | trans | -61.2 | 146.2 | 173.9 | -51.8 | 0 | 0 | 0 | 0 | 111 | P75 E76 A79 K108 D112 L115 N116 | P75-C110 PolarHBondContact O-SG 3.28Å; E76-C110 HydrophobicContact CG-CB 4.32Å; A79-C110 WeakPolarHBondContact CB-SG 3.29Å; K108-C110 PolarHBondContact O-N 3.4Å; C110-D112 PolarHBondContact O-N 3.16Å; C110-L115 HydrophobicContact CB-CD2 4.5Å; C110-N116 PolarHBondContact O-ND2 3.11Å | ||
| 111 | E | 77.8 | Confident | 86.1 | Confident | 175 Ų | 175 | 56.3 Ų | 56.3 | 82% | 0.818 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -73.5 | -19 | 175.3 | -61.8 | -170.2 | 164.4 | 0 | 0 | 112.2 | E76 Q113 | E76-E111 PolarHBondContact OE1-N 3.12Å; E111-Q113 PolarHBondContact O-N 3.45Å; E111-Q113 VanDerWaalsContact O-N 3.07Å |
| 112 | D | 80.9 | Confident | 85.9 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | trans | -69.2 | 102.3 | 179.1 | -173.8 | -9.3 | 0 | 0 | 0 | 112.1 | C110 E114 L115 N116 | C110-D112 PolarHBondContact O-N 3.16Å; D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact O-N 3.15Å; D112-E114 WeakPolarHBondContact OD1-CA 3.24Å; D112-E114 WeakPolarHBondContact OD1-CB 3.47Å; D112-E114 PolarHBondContact OD1-N 3.42Å; D112-L115 HydrophobicContact CB-CB 3.9Å; D112-L115 PolarHBondContact O-N 3.1Å; D112-L115 PolarHBondContact OD1-N 3.33Å; D112-L115 VanDerWaalsContact OD1-N 3.12Å; D112-L115 WeakPolarHBondContact OD2-CB 3.39Å; D112-N116 PolarHBondContact O-N 3.07Å; D112-N116 PolarHBondContact O-ND2 3.26Å; D112-N116 VanDerWaalsContact O-ND2 3.15Å | ||
| 113 | Q | 80.1 | Confident | 85.8 | Confident | 156 Ų | 156 | 59.5 Ų | 59.5 | 73% | 0.729 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.4 | -31.9 | 176.8 | -66 | -175.9 | -16 | 0 | 0 | 112.9 | E111 A117 | E111-Q113 PolarHBondContact O-N 3.45Å; E111-Q113 VanDerWaalsContact O-N 3.07Å; Q113-A117 VanDerWaalsContact O-CB 3.28Å; Q113-A117 WeakPolarHBondContact O-CB 3.34Å; Q113-A117 PolarHBondContact O-N 3.47Å |
| 114 | E | 81 | Confident | 85.6 | Confident | 139 Ų | 139 | 57.7 Ų | 57.7 | 65% | 0.65 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -71.4 | -43.4 | 178.9 | -63.1 | -168.7 | 168.5 | 0 | 0 | 110.8 | D112 A117 V118 | D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact O-N 3.15Å; D112-E114 WeakPolarHBondContact OD1-CA 3.24Å; D112-E114 WeakPolarHBondContact OD1-CB 3.47Å; D112-E114 PolarHBondContact OD1-N 3.42Å; E114-A117 WeakPolarHBondContact O-CB 3.43Å; E114-A117 PolarHBondContact O-N 2.91Å; E114-V118 WeakPolarHBondContact O-CG2 3.36Å; E114-V118 PolarHBondContact O-N 2.95Å |
| 115 | L | 83.8 | Confident | 85.5 | Confident | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 175.7 | -178.4 | 61.9 | 0 | 0 | 0 | 111.3 | A79 K80 K83 C110 D112 A117 V118 L119 | A79-L115 HydrophobicContact CB-CD2 3.96Å; K80-L115 HydrophobicContact CG-CD1 4.4Å; K80-L115 HydrophobicContact CG-CD2 4.11Å; K83-L115 HydrophobicContact CD-CD1 3.94Å; C110-L115 HydrophobicContact CB-CD2 4.5Å; D112-L115 HydrophobicContact CB-CB 3.9Å; D112-L115 PolarHBondContact O-N 3.1Å; D112-L115 PolarHBondContact OD1-N 3.33Å; D112-L115 VanDerWaalsContact OD1-N 3.12Å; D112-L115 WeakPolarHBondContact OD2-CB 3.39Å; L115-A117 PolarHBondContact O-N 2.99Å; L115-V118 PolarHBondContact O-N 2.92Å; L115-L119 HydrophobicContact CG-CD1 4.2Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.14Å |
| 116 | N | 85.5 | Confident | 85.6 | Confident | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.193 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -39.5 | 176.8 | -74.9 | -31.8 | 0 | 0 | 0 | 111.7 | L106 C110 D112 L119 L120 | L106-N116 HydrophobicContact CD2-CB 4.4Å; C110-N116 PolarHBondContact O-ND2 3.11Å; D112-N116 PolarHBondContact O-N 3.07Å; D112-N116 PolarHBondContact O-ND2 3.26Å; D112-N116 VanDerWaalsContact O-ND2 3.15Å; N116-L119 PolarHBondContact O-N 3.05Å; N116-L120 WeakPolarHBondContact O-CG 3.45Å; N116-L120 PolarHBondContact O-N 2.91Å |
| 117 | A | 84.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q113 E114 L115 L119 L120 T121 L143 H147 | Q113-A117 VanDerWaalsContact O-CB 3.28Å; Q113-A117 WeakPolarHBondContact O-CB 3.34Å; Q113-A117 PolarHBondContact O-N 3.47Å; E114-A117 WeakPolarHBondContact O-CB 3.43Å; E114-A117 PolarHBondContact O-N 2.91Å; L115-A117 PolarHBondContact O-N 2.99Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L120 PolarHBondContact O-N 3.32Å; A117-T121 WeakPolarHBondContact O-CB 3.05Å; A117-T121 PolarHBondContact O-N 2.86Å; A117-T121 PolarHBondContact O-OG1 2.82Å; A117-L143 HydrophobicContact CB-CD1 3.34Å; A117-H147 WeakPolarHBondContact CB-CE1 3.45Å; A117-H147 WeakPolarHBondContact CB-ND1 3.31Å; A117-H147 VanDerWaalsContact CB-NE2 3.34Å; A117-H147 WeakPolarHBondContact CB-NE2 3.37Å |
| 118 | V | 86.4 | Confident | 85.6 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 39% | 0.394 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 173.7 | 170.6 | 0 | 0 | 0 | 0 | 109.8 | K83 E114 L115 T121 N122 | K83-V118 HydrophobicContact CD-CG1 4.47Å; E114-V118 WeakPolarHBondContact O-CG2 3.36Å; E114-V118 PolarHBondContact O-N 2.95Å; L115-V118 PolarHBondContact O-N 2.92Å; V118-T121 PolarHBondContact O-N 3.45Å; V118-N122 WeakPolarHBondContact O-CB 3.19Å; V118-N122 VanDerWaalsContact O-CG 3.31Å; V118-N122 PolarHBondContact O-N 3.45Å |
| 119 | L | 89.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 177.2 | -74.2 | 170.7 | 0 | 0 | 0 | 112.2 | K83 Y102 A105 L106 L115 N116 A117 T121 N122 R123 | K83-L119 HydrophobicContact CB-CD2 3.75Å; K83-L119 HydrophobicContact CG-CD2 3.85Å; Y102-L119 HydrophobicContact CD1-CD2 3.78Å; A105-L119 HydrophobicContact CB-CD1 3.66Å; A105-L119 HydrophobicContact CB-CD2 3.62Å; A105-L119 HydrophobicContact CB-CG 4.29Å; L106-L119 HydrophobicContact CD1-CB 4.43Å; L106-L119 HydrophobicContact CD2-CB 3.76Å; L106-L119 HydrophobicContact CD2-CD1 4.14Å; L106-L119 HydrophobicContact CG-CB 3.92Å; L106-L119 HydrophobicContact CG-CD1 4.28Å; L115-L119 HydrophobicContact CG-CD1 4.2Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.14Å; N116-L119 PolarHBondContact O-N 3.05Å; A117-L119 VanDerWaalsContact C-N 3.32Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 3Å; L119-N122 PolarHBondContact O-N 3.45Å; L119-R123 VanDerWaalsContact O-CB 3.3Å; L119-R123 WeakPolarHBondContact O-CB 3.34Å; L119-R123 PolarHBondContact O-N 3.28Å |
| 120 | L | 88.4 | Confident | 86.3 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | 175.7 | -73.9 | 169.8 | 0 | 0 | 0 | 112.2 | L106 N116 A117 A124 D139 L142 L143 | L106-L120 HydrophobicContact CD1-CD2 3.71Å; L106-L120 HydrophobicContact CD1-CG 4.18Å; L106-L120 HydrophobicContact CD2-CD2 4.35Å; L106-L120 HydrophobicContact CD2-CG 4.07Å; N116-L120 WeakPolarHBondContact O-CG 3.45Å; N116-L120 PolarHBondContact O-N 2.91Å; A117-L120 PolarHBondContact O-N 3.32Å; L120-A124 VanDerWaalsContact O-CB 3.31Å; L120-A124 WeakPolarHBondContact O-CB 3.35Å; L120-A124 PolarHBondContact O-N 3.34Å; L120-D139 HydrophobicContact CD2-CB 4.31Å; L120-L142 HydrophobicContact CD1-CB 4.29Å; L120-L142 HydrophobicContact CD2-CB 4.39Å; L120-L142 HydrophobicContact CD2-CD1 4.37Å; L120-L143 HydrophobicContact CD1-CB 4.08Å; L120-L143 HydrophobicContact CD1-CD1 4.08Å |
| 121 | T | 86.8 | Confident | 86.5 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 178.5 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | A117 V118 L119 A124 A125 L153 | A117-T121 WeakPolarHBondContact O-CB 3.05Å; A117-T121 PolarHBondContact O-N 2.86Å; A117-T121 PolarHBondContact O-OG1 2.82Å; V118-T121 PolarHBondContact O-N 3.45Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 3Å; T121-A124 PolarHBondContact O-N 2.85Å; T121-A125 PolarHBondContact O-N 3.1Å; T121-L153 HydrophobicContact CG2-CD1 4.49Å |
| 122 | N | 90.6 | Very high | 86.9 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.8 | -36.9 | 179.5 | -69 | -4 | 0 | 0 | 0 | 112.1 | N87 Y102 V118 L119 A125 S126 | N87-N122 PolarHBondContact OD1-ND2 3.35Å; Y102-N122 HydrophobicContact CD1-CB 4.36Å; Y102-N122 HydrophobicContact CD2-CB 4.22Å; Y102-N122 HydrophobicContact CE1-CB 3.91Å; Y102-N122 HydrophobicContact CE2-CB 3.75Å; V118-N122 WeakPolarHBondContact O-CB 3.19Å; V118-N122 VanDerWaalsContact O-CG 3.31Å; V118-N122 PolarHBondContact O-N 3.45Å; L119-N122 PolarHBondContact O-N 3.45Å; N122-A125 PolarHBondContact O-N 3.02Å; N122-S126 PolarHBondContact O-N 2.92Å; N122-S126 PolarHBondContact O-OG 3.41Å |
| 123 | R | 91.9 | Very high | 86.9 | Confident | 30 Ų | 30 | 48 Ų | 48 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 172.7 | -172.1 | 172.1 | 73.5 | -176.3 | -3.3 | 111.4 | V99 Y102 T103 L106 L119 A125 S126 H127 D139 | V99-R123 HydrophobicContact CG1-CG 4.43Å; Y102-R123 HydrophobicContact CD2-CB 4.3Å; Y102-R123 HydrophobicContact CG-CB 4.49Å; T103-R123 VanDerWaalsContact OG1-CD 3.3Å; T103-R123 WeakPolarHBondContact OG1-CD 3.23Å; T103-R123 PolarHBondContact OG1-NH1 3.16Å; L106-R123 VanDerWaalsContact CD1-CZ 3.48Å; L119-R123 VanDerWaalsContact O-CB 3.3Å; L119-R123 WeakPolarHBondContact O-CB 3.34Å; L119-R123 PolarHBondContact O-N 3.28Å; R123-A125 PolarHBondContact O-N 3.38Å; R123-S126 WeakPolarHBondContact O-CB 3.45Å; R123-S126 PolarHBondContact O-N 2.99Å; R123-S126 VanDerWaalsContact O-N 3.17Å; R123-H127 PolarHBondContact O-CD2 3.27Å; R123-H127 PolarHBondContact O-N 3.1Å; R123-D139 IonicContact CZ-OD1 3.33Å; R123-D139 IonicContact CZ-OD2 3.01Å; R123-D139 IonicContact NE-OD1 3.27Å; R123-D139 PolarHBondContact NE-OD1 2.94Å; R123-D139 IonicContact NE-OD2 2.65Å; R123-D139 PolarHBondContact NE-OD2 3.32Å; R123-D139 IonicContact NH2-OD1 2.7Å; R123-D139 PolarHBondContact NH2-OD1 2.94Å; R123-D139 IonicContact NH2-OD2 3.86Å |
| 124 | A | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | L120 T121 S126 H127 F128 I136 D139 L153 | L120-A124 VanDerWaalsContact O-CB 3.31Å; L120-A124 WeakPolarHBondContact O-CB 3.35Å; L120-A124 PolarHBondContact O-N 3.34Å; T121-A124 PolarHBondContact O-N 2.85Å; A124-S126 VanDerWaalsContact C-N 3.3Å; A124-S126 PolarHBondContact O-N 3.48Å; A124-H127 PolarHBondContact O-N 3.36Å; A124-F128 PolarHBondContact O-N 3.37Å; A124-I136 HydrophobicContact CB-CG2 4.24Å; A124-D139 HydrophobicContact CB-CB 4.19Å; A124-L153 HydrophobicContact CB-CD2 3.18Å; A124-L153 HydrophobicContact CB-CG 4.29Å |
| 125 | A | 88.9 | Confident | 87.2 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -42 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F90 T121 N122 R123 F128 H129 | F90-A125 HydrophobicContact CE2-CB 4.12Å; F90-A125 HydrophobicContact CZ-CB 4.3Å; T121-A125 PolarHBondContact O-N 3.1Å; N122-A125 PolarHBondContact O-N 3.02Å; R123-A125 PolarHBondContact O-N 3.38Å; A125-F128 WeakPolarHBondContact O-CB 3.39Å; A125-F128 PolarHBondContact O-N 3.23Å; A125-H129 PolarHBondContact O-CD2 3.31Å; A125-H129 PolarHBondContact O-N 3.38Å; A125-H129 VanDerWaalsContact O-N 3.16Å |
| 126 | S | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 175.4 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | F90 N122 R123 A124 F128 H129 L130 | F90-S126 WeakPolarHBondContact CD2-OG 3.44Å; N122-S126 PolarHBondContact O-N 2.92Å; N122-S126 PolarHBondContact O-OG 3.41Å; R123-S126 WeakPolarHBondContact O-CB 3.45Å; R123-S126 PolarHBondContact O-N 2.99Å; R123-S126 VanDerWaalsContact O-N 3.17Å; A124-S126 VanDerWaalsContact C-N 3.3Å; A124-S126 PolarHBondContact O-N 3.48Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 3.01Å; S126-H129 PolarHBondContact O-N 2.7Å; S126-L130 WeakPolarHBondContact O-CG 3.19Å; S126-L130 PolarHBondContact O-N 3.02Å; S126-L130 VanDerWaalsContact O-N 3.13Å |
| 127 | H | 91.1 | Very high | 86.8 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -32.8 | 174.6 | -79.1 | -53.5 | 0 | 0 | 0 | 113.8 | R123 A124 L130 G131 K132 Y135 I136 D139 | R123-H127 PolarHBondContact O-CD2 3.27Å; R123-H127 PolarHBondContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 3.36Å; H127-L130 CarbonylContact O-C 3.57Å; H127-L130 PolarHBondContact O-N 2.86Å; H127-G131 PolarHBondContact O-N 3.04Å; H127-G131 VanDerWaalsContact O-N 3.09Å; H127-K132 HydrophobicContact CB-CB 4.44Å; H127-K132 PolarHBondContact O-N 3.14Å; H127-Y135 AromaticContact CE1-CG 3.86Å; H127-Y135 AromaticContact NE2-CG 3.98Å; H127-I136 HydrophobicContact CB-CG1 3.82Å; H127-D139 IonicContact CD2-OD2 3.86Å |
| 128 | F | 88 | Confident | 86.7 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 27% | 0.272 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 173.9 | 174.2 | -92.9 | 0 | 0 | 0 | 111.6 | A124 A125 S126 L130 G131 I136 L156 H159 L160 | A124-F128 PolarHBondContact O-N 3.37Å; A125-F128 WeakPolarHBondContact O-CB 3.39Å; A125-F128 PolarHBondContact O-N 3.23Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 3.01Å; F128-L130 PolarHBondContact O-N 3.43Å; F128-G131 PolarHBondContact O-N 3.28Å; F128-I136 HydrophobicContact CB-CD1 3.87Å; F128-I136 HydrophobicContact CD2-CD1 4.44Å; F128-L156 HydrophobicContact CB-CD2 3.46Å; F128-L156 VanDerWaalsContact CB-CD2 3.46Å; F128-L156 HydrophobicContact CB-CG 3.99Å; F128-L156 HydrophobicContact CD1-CD1 4.3Å; F128-L156 HydrophobicContact CD1-CG 4.47Å; F128-L156 HydrophobicContact CD2-CD1 4.18Å; F128-L156 HydrophobicContact CD2-CD2 4.02Å; F128-L156 HydrophobicContact CD2-CG 3.58Å; F128-L156 HydrophobicContact CE2-CD1 4.48Å; F128-L156 HydrophobicContact CE2-CG 4.16Å; F128-L156 HydrophobicContact CG-CD1 4.08Å; F128-L156 HydrophobicContact CG-CD2 3.85Å; F128-L156 HydrophobicContact CG-CG 3.77Å; F128-H159 HydrophobicContact CE2-CB 4.38Å; F128-L160 HydrophobicContact CD2-CD1 3.77Å; F128-L160 HydrophobicContact CD2-CD2 3.83Å; F128-L160 HydrophobicContact CD2-CG 3.81Å; F128-L160 HydrophobicContact CE2-CD1 4.19Å; F128-L160 HydrophobicContact CE2-CD2 3.58Å; F128-L160 HydrophobicContact CE2-CG 3.68Å |
| 129 | H | 87.6 | Confident | 86.6 | Confident | 95 Ų | 95 | 49.2 Ų | 49.2 | 44% | 0.44 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.9 | -28.2 | 175.2 | -72.9 | -68.7 | 0 | 0 | 0 | 113 | F90 Y95 A125 S126 G131 | F90-H129 AromaticContact CE2-CD2 3.91Å; F90-H129 AromaticContact CZ-CD2 3.67Å; F90-H129 AromaticContact CZ-NE2 3.72Å; Y95-H129 HydrophobicContact CD1-CB 3.81Å; Y95-H129 HydrophobicContact CD2-CB 3.62Å; Y95-H129 HydrophobicContact CE1-CB 3.77Å; Y95-H129 AromaticContact CE1-CD2 3.61Å; Y95-H129 AromaticContact CE1-CG 3.66Å; Y95-H129 HydrophobicContact CE2-CB 3.59Å; Y95-H129 HydrophobicContact CG-CB 3.73Å; Y95-H129 AromaticContact CZ-CD2 3.97Å; Y95-H129 AromaticContact CZ-CG 3.59Å; Y95-H129 AromaticContact CZ-ND1 3.95Å; A125-H129 PolarHBondContact O-CD2 3.31Å; A125-H129 PolarHBondContact O-N 3.38Å; A125-H129 VanDerWaalsContact O-N 3.16Å; S126-H129 PolarHBondContact O-N 2.7Å; H129-G131 VanDerWaalsContact C-N 3.32Å |
| 130 | L | 88.8 | Confident | 85.9 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.2 | 173.1 | -66.7 | 173.8 | 0 | 0 | 0 | 114.2 | K96 V99 S126 H127 F128 K132 | K96-L130 HydrophobicContact CG-CD1 4.38Å; K96-L130 HydrophobicContact CG-CD2 3.98Å; V99-L130 HydrophobicContact CG2-CD1 4.18Å; S126-L130 WeakPolarHBondContact O-CG 3.19Å; S126-L130 PolarHBondContact O-N 3.02Å; S126-L130 VanDerWaalsContact O-N 3.13Å; H127-L130 CarbonylContact O-C 3.57Å; H127-L130 PolarHBondContact O-N 2.86Å; F128-L130 PolarHBondContact O-N 3.43Å; L130-K132 HydrophobicContact CB-CD 4.46Å; L130-K132 HydrophobicContact CB-CG 4.1Å; L130-K132 PolarHBondContact O-N 3.28Å |
| 131 | G | 84.4 | Confident | 85.4 | Confident | 50 Ų | 50 | 55 Ų | 55 | 52% | 0.515 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 10.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H127 F128 H129 K133 | H127-G131 PolarHBondContact O-N 3.04Å; H127-G131 VanDerWaalsContact O-N 3.09Å; F128-G131 PolarHBondContact O-N 3.28Å; H129-G131 VanDerWaalsContact C-N 3.32Å; G131-K133 PolarHBondContact O-N 3.34Å |
| 132 | K | 85.7 | Confident | 84.9 | Confident | 101 Ų | 101 | 59.1 Ų | 59.1 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | trans | -86.3 | 70.1 | -174.2 | -70.1 | -168.6 | 178.3 | -175.9 | 0 | 112.1 | H127 L130 R134 Y135 | H127-K132 HydrophobicContact CB-CB 4.44Å; H127-K132 PolarHBondContact O-N 3.14Å; L130-K132 HydrophobicContact CB-CD 4.46Å; L130-K132 HydrophobicContact CB-CG 4.1Å; L130-K132 PolarHBondContact O-N 3.28Å; K132-R134 VanDerWaalsContact C-N 3.3Å; K132-R134 PolarHBondContact O-N 2.92Å; K132-R134 VanDerWaalsContact O-N 3.14Å; K132-Y135 HydrophobicContact CB-CD2 3.82Å; K132-Y135 HydrophobicContact CB-CE2 4.35Å; K132-Y135 HydrophobicContact CD-CD2 4.23Å; K132-Y135 HydrophobicContact CD-CE2 4.09Å; K132-Y135 PolarHBondContact O-N 3.27Å | ||
| 133 | K | 80.4 | Confident | 84 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.8 | -33.1 | -171.7 | -54.7 | -172.2 | -170.9 | -172.2 | 0 | 115.8 | G131 Y135 I136 L137 L160 L162 | G131-K133 PolarHBondContact O-N 3.34Å; K133-Y135 VanDerWaalsContact C-N 3.33Å; K133-Y135 PolarHBondContact O-N 3.16Å; K133-I136 PolarHBondContact O-N 3.11Å; K133-L137 PolarHBondContact O-N 3.26Å; K133-L160 HydrophobicContact CD-CB 4.45Å; K133-L160 HydrophobicContact CD-CD1 4.43Å; K133-L160 HydrophobicContact CD-CD2 4.39Å; K133-L160 HydrophobicContact CG-CD1 4.04Å; K133-L160 HydrophobicContact CG-CD2 4.43Å; K133-L162 HydrophobicContact CB-CD1 4.37Å; K133-L162 HydrophobicContact CD-CD2 4.09Å |
| 134 | R | 82.6 | Confident | 82.7 | Confident | 216 Ų | 216 | 58.1 Ų | 58.1 | 82% | 0.815 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.3 | -37.8 | -177.1 | -65.9 | -176.1 | -175.4 | 172.7 | 1.4 | 112.8 | K132 L137 S138 | K132-R134 VanDerWaalsContact C-N 3.3Å; K132-R134 PolarHBondContact O-N 2.92Å; K132-R134 VanDerWaalsContact O-N 3.14Å; R134-L137 PolarHBondContact O-N 2.87Å; R134-S138 PolarHBondContact O-N 3.11Å |
| 135 | Y | 84.6 | Confident | 81.2 | Confident | 128 Ų | 128 | 60 Ų | 60 | 50% | 0.502 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73 | -33.4 | -177.6 | -63 | -90.7 | 0 | 0 | 0 | 111.8 | H127 K132 K133 L137 S138 D139 | H127-Y135 AromaticContact CE1-CG 3.86Å; H127-Y135 AromaticContact NE2-CG 3.98Å; K132-Y135 HydrophobicContact CB-CD2 3.82Å; K132-Y135 HydrophobicContact CB-CE2 4.35Å; K132-Y135 HydrophobicContact CD-CD2 4.23Å; K132-Y135 HydrophobicContact CD-CE2 4.09Å; K132-Y135 PolarHBondContact O-N 3.27Å; K133-Y135 VanDerWaalsContact C-N 3.33Å; K133-Y135 PolarHBondContact O-N 3.16Å; Y135-L137 VanDerWaalsContact C-N 3.3Å; Y135-L137 PolarHBondContact O-N 2.91Å; Y135-S138 WeakPolarHBondContact O-CB 3.45Å; Y135-S138 PolarHBondContact O-N 3.48Å; Y135-D139 WeakPolarHBondContact O-CB 3.37Å; Y135-D139 PolarHBondContact O-N 3.44Å |
| 136 | I | 82.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 174.8 | -52.6 | 171.5 | 0 | 0 | 0 | 110.8 | A124 H127 F128 K133 D139 T140 L156 L157 L160 | A124-I136 HydrophobicContact CB-CG2 4.24Å; H127-I136 HydrophobicContact CB-CG1 3.82Å; F128-I136 HydrophobicContact CB-CD1 3.87Å; F128-I136 HydrophobicContact CD2-CD1 4.44Å; K133-I136 PolarHBondContact O-N 3.11Å; I136-D139 PolarHBondContact O-N 3.07Å; I136-T140 WeakPolarHBondContact O-CB 3.49Å; I136-T140 PolarHBondContact O-N 2.72Å; I136-T140 PolarHBondContact O-OG1 2.97Å; I136-L156 HydrophobicContact CG2-CD2 4.41Å; I136-L157 HydrophobicContact CB-CD2 4.21Å; I136-L157 HydrophobicContact CG2-CD2 3.59Å; I136-L157 HydrophobicContact CG2-CG 4.08Å; I136-L160 HydrophobicContact CD1-CD1 3.56Å |
| 137 | L | 78.8 | Confident | 77.8 | Confident | 31 Ų | 31 | 66.3 Ų | 66.3 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.3 | -71.4 | 170.4 | 0 | 0 | 0 | 111.5 | K133 R134 Y135 D139 T140 Q141 L157 L162 L168 | K133-L137 PolarHBondContact O-N 3.26Å; R134-L137 PolarHBondContact O-N 2.87Å; Y135-L137 VanDerWaalsContact C-N 3.3Å; Y135-L137 PolarHBondContact O-N 2.91Å; L137-D139 PolarHBondContact O-N 3.24Å; L137-T140 PolarHBondContact O-N 3.37Å; L137-Q141 WeakPolarHBondContact O-CG 3.36Å; L137-Q141 PolarHBondContact O-N 3.17Å; L137-L157 HydrophobicContact CD2-CD1 4Å; L137-L157 HydrophobicContact CD2-CD2 3.65Å; L137-L157 HydrophobicContact CD2-CG 4.49Å; L137-L157 HydrophobicContact CG-CD2 4.07Å; L137-L162 HydrophobicContact CD1-CD1 4.38Å; L137-L162 HydrophobicContact CD2-CD1 4.39Å; L137-L162 HydrophobicContact CG-CD1 4.36Å; L137-L168 HydrophobicContact CD2-CD1 4.07Å |
| 138 | S | 83.6 | Confident | 76.3 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.3 | -168.5 | 0 | 0 | 0 | 0 | 111.4 | R134 Y135 T140 Q141 L142 | R134-S138 PolarHBondContact O-N 3.11Å; Y135-S138 WeakPolarHBondContact O-CB 3.45Å; Y135-S138 PolarHBondContact O-N 3.48Å; S138-T140 VanDerWaalsContact C-N 3.31Å; S138-T140 PolarHBondContact O-N 3.15Å; S138-Q141 PolarHBondContact O-N 3.45Å; S138-L142 VanDerWaalsContact O-CG 3.31Å; S138-L142 WeakPolarHBondContact O-CG 3.41Å; S138-L142 PolarHBondContact O-N 3.18Å |
| 139 | D | 83.2 | Confident | 75 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 179.8 | -71.8 | -4 | 0 | 0 | 0 | 111.9 | L120 R123 A124 H127 Y135 I136 L137 L143 L153 | L120-D139 HydrophobicContact CD2-CB 4.31Å; R123-D139 IonicContact CZ-OD1 3.33Å; R123-D139 IonicContact CZ-OD2 3.01Å; R123-D139 IonicContact NE-OD1 3.27Å; R123-D139 PolarHBondContact NE-OD1 2.94Å; R123-D139 IonicContact NE-OD2 2.65Å; R123-D139 PolarHBondContact NE-OD2 3.32Å; R123-D139 IonicContact NH2-OD1 2.7Å; R123-D139 PolarHBondContact NH2-OD1 2.94Å; R123-D139 IonicContact NH2-OD2 3.86Å; A124-D139 HydrophobicContact CB-CB 4.19Å; H127-D139 IonicContact CD2-OD2 3.86Å; Y135-D139 WeakPolarHBondContact O-CB 3.37Å; Y135-D139 PolarHBondContact O-N 3.44Å; I136-D139 PolarHBondContact O-N 3.07Å; L137-D139 PolarHBondContact O-N 3.24Å; D139-L143 WeakPolarHBondContact O-CB 3.26Å; D139-L143 PolarHBondContact O-N 3.45Å; D139-L143 VanDerWaalsContact O-N 3.11Å; D139-L153 HydrophobicContact CB-CD2 4.35Å |
| 140 | T | 75.6 | Confident | 73.9 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 174.9 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | I136 L137 S138 L153 L157 | I136-T140 WeakPolarHBondContact O-CB 3.49Å; I136-T140 PolarHBondContact O-N 2.72Å; I136-T140 PolarHBondContact O-OG1 2.97Å; L137-T140 PolarHBondContact O-N 3.37Å; S138-T140 VanDerWaalsContact C-N 3.31Å; S138-T140 PolarHBondContact O-N 3.15Å; T140-L153 HydrophobicContact CG2-CB 4.35Å; T140-L157 HydrophobicContact CG2-CD1 4.05Å |
| 141 | Q | 76.9 | Confident | 72.8 | Confident | 133 Ų | 133 | 65.7 Ų | 65.7 | 62% | 0.621 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69.5 | -43.2 | 176.5 | -72.9 | 174.3 | -21.7 | 0 | 0 | 111.7 | L137 S138 L143 G144 | L137-Q141 WeakPolarHBondContact O-CG 3.36Å; L137-Q141 PolarHBondContact O-N 3.17Å; S138-Q141 PolarHBondContact O-N 3.45Å; Q141-L143 VanDerWaalsContact C-N 3.3Å; Q141-L143 PolarHBondContact O-N 3.39Å; Q141-G144 PolarHBondContact O-N 2.95Å |
| 142 | L | 76.9 | Confident | 71.8 | Confident | 112 Ų | 112 | 66.7 Ų | 66.7 | 59% | 0.586 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.9 | -36.3 | 178.5 | -75 | 170.8 | 0 | 0 | 0 | 112.7 | L120 S138 G144 | L120-L142 HydrophobicContact CD1-CB 4.29Å; L120-L142 HydrophobicContact CD2-CB 4.39Å; L120-L142 HydrophobicContact CD2-CD1 4.37Å; S138-L142 VanDerWaalsContact O-CG 3.31Å; S138-L142 WeakPolarHBondContact O-CG 3.41Å; S138-L142 PolarHBondContact O-N 3.18Å; L142-G144 PolarHBondContact O-N 2.88Å |
| 143 | L | 72.4 | Confident | 70.9 | Confident | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.9 | -25.4 | 179.9 | -175.2 | 56.1 | 0 | 0 | 0 | 112.9 | A117 L120 D139 Q141 H147 V150 L153 | A117-L143 HydrophobicContact CB-CD1 3.34Å; L120-L143 HydrophobicContact CD1-CB 4.08Å; L120-L143 HydrophobicContact CD1-CD1 4.08Å; D139-L143 WeakPolarHBondContact O-CB 3.26Å; D139-L143 PolarHBondContact O-N 3.45Å; D139-L143 VanDerWaalsContact O-N 3.11Å; Q141-L143 VanDerWaalsContact C-N 3.3Å; Q141-L143 PolarHBondContact O-N 3.39Å; L143-H147 HydrophobicContact CD1-CB 3.77Å; L143-H147 HydrophobicContact CD2-CB 4.48Å; L143-H147 HydrophobicContact CG-CB 3.97Å; L143-V150 HydrophobicContact CB-CG2 4.31Å; L143-V150 HydrophobicContact CD2-CB 4.33Å; L143-V150 HydrophobicContact CD2-CG2 3.55Å; L143-V150 HydrophobicContact CG-CG2 3.67Å; L143-L153 HydrophobicContact CD2-CD1 3.36Å |
| 144 | G | 64.8 | Low | 70.1 | Confident | 30 Ų | 30 | 58.2 Ų | 58.2 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | trans | 67 | 144.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q141 L142 M146 H147 V150 | Q141-G144 PolarHBondContact O-N 2.95Å; L142-G144 PolarHBondContact O-N 2.88Å; G144-M146 PolarHBondContact O-N 2.99Å; G144-H147 PolarHBondContact O-N 3.38Å; G144-V150 WeakPolarHBondContact O-CG2 3.4Å | ||
| 145 | L | 56.2 | Low | 69.2 | Low | 40 Ų | 40 | 52.7 Ų | 52.7 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 8.1 | -169 | -62.1 | 158.8 | 0 | 0 | 0 | 115.3 | V150 Q171 C172 | L145-V150 HydrophobicContact CD2-CG1 4.44Å; L145-Q171 HydrophobicContact CD1-CB 3.49Å; L145-Q171 VanDerWaalsContact CD1-CB 3.49Å; L145-C172 HydrophobicContact CD2-CB 3.71Å |
| 146 | M | 49.9 | Very low | 68.2 | Low | 105 Ų | 105 | 48.3 Ų | 48.3 | 52% | 0.517 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -11.5 | -172.3 | -59.6 | -118.3 | 73.5 | 0 | 0 | 113.3 | G144 S175 F179 | G144-M146 PolarHBondContact O-N 2.99Å; M146-S175 WeakPolarHBondContact CE-O 3.18Å; M146-F179 HydrophobicContact CE-CB 4.22Å |
| 147 | H | 60.8 | Low | 67.5 | Low | 49 Ų | 49 | 48.3 Ų | 48.3 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -94.7 | 139.7 | -176.8 | -168 | -85 | 0 | 0 | 0 | 112.9 | A117 L143 G144 G149 V150 | A117-H147 WeakPolarHBondContact CB-CE1 3.45Å; A117-H147 WeakPolarHBondContact CB-ND1 3.31Å; A117-H147 VanDerWaalsContact CB-NE2 3.34Å; A117-H147 WeakPolarHBondContact CB-NE2 3.37Å; L143-H147 HydrophobicContact CD1-CB 3.77Å; L143-H147 HydrophobicContact CD2-CB 4.48Å; L143-H147 HydrophobicContact CG-CB 3.97Å; G144-H147 PolarHBondContact O-N 3.38Å; H147-G149 PolarHBondContact ND1-N 3.37Å; H147-G149 PolarHBondContact O-N 2.96Å; H147-V150 HydrophobicContact CB-CG2 4.37Å; H147-V150 WeakPolarHBondContact O-CB 3.35Å; H147-V150 WeakPolarHBondContact O-CG2 3.49Å; H147-V150 PolarHBondContact O-N 2.91Å |
| 148 | N | 59.6 | Low | 66.7 | Low | 104 Ų | 104 | 50.7 Ų | 50.7 | 56% | 0.556 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.9 | -178.6 | -73.2 | -38.1 | 0 | 0 | 0 | 114.3 | V150 | N148-V150 VanDerWaalsContact C-N 3.3Å; N148-V150 PolarHBondContact O-N 2.67Å |
| 149 | G | 60.3 | Low | 65.6 | Low | 12 Ų | 12 | 54 Ų | 54 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H147 L151 S152 L153 | H147-G149 PolarHBondContact ND1-N 3.37Å; H147-G149 PolarHBondContact O-N 2.96Å; G149-L151 PolarHBondContact O-N 3.42Å; G149-S152 PolarHBondContact O-N 3.27Å; G149-S152 VanDerWaalsContact O-N 3.11Å; G149-L153 PolarHBondContact O-N 2.92Å |
| 150 | V | 65.3 | Low | 64.7 | Low | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.4 | -32.9 | -177 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | L143 G144 L145 H147 N148 S152 L153 L154 | L143-V150 HydrophobicContact CB-CG2 4.31Å; L143-V150 HydrophobicContact CD2-CB 4.33Å; L143-V150 HydrophobicContact CD2-CG2 3.55Å; L143-V150 HydrophobicContact CG-CG2 3.67Å; G144-V150 WeakPolarHBondContact O-CG2 3.4Å; L145-V150 HydrophobicContact CD2-CG1 4.44Å; H147-V150 HydrophobicContact CB-CG2 4.37Å; H147-V150 WeakPolarHBondContact O-CB 3.35Å; H147-V150 WeakPolarHBondContact O-CG2 3.49Å; H147-V150 PolarHBondContact O-N 2.91Å; N148-V150 VanDerWaalsContact C-N 3.3Å; N148-V150 PolarHBondContact O-N 2.67Å; V150-S152 VanDerWaalsContact C-N 3.33Å; V150-S152 PolarHBondContact O-N 3.35Å; V150-L153 PolarHBondContact O-N 3.42Å; V150-L154 HydrophobicContact CG1-CD1 3.71Å; V150-L154 HydrophobicContact CG1-CG 4.06Å; V150-L154 WeakPolarHBondContact O-CB 3.37Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 3.28Å |
| 151 | L | 64.6 | Low | 64.1 | Low | 86 Ų | 86 | 64.4 Ų | 64.4 | 45% | 0.45 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 178.4 | -68.8 | 172.5 | 0 | 0 | 0 | 112.5 | G149 L155 L181 | G149-L151 PolarHBondContact O-N 3.42Å; L151-L155 PolarHBondContact O-N 3.29Å; L151-L181 HydrophobicContact CD1-CD2 4.5Å |
| 152 | S | 63.9 | Low | 63.4 | Low | 71 Ų | 71 | 60 Ų | 60 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 177.7 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | G149 V150 L156 | G149-S152 PolarHBondContact O-N 3.27Å; G149-S152 VanDerWaalsContact O-N 3.11Å; V150-S152 VanDerWaalsContact C-N 3.33Å; V150-S152 PolarHBondContact O-N 3.35Å; S152-L156 PolarHBondContact O-N 3.07Å |
| 153 | L | 66.8 | Low | 62.4 | Low | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 174.1 | -78 | 133.8 | 0 | 0 | 0 | 112.2 | T121 A124 D139 T140 L143 G149 V150 L155 L156 L157 | T121-L153 HydrophobicContact CG2-CD1 4.49Å; A124-L153 HydrophobicContact CB-CD2 3.18Å; A124-L153 HydrophobicContact CB-CG 4.29Å; D139-L153 HydrophobicContact CB-CD2 4.35Å; T140-L153 HydrophobicContact CG2-CB 4.35Å; L143-L153 HydrophobicContact CD2-CD1 3.36Å; G149-L153 PolarHBondContact O-N 2.92Å; V150-L153 PolarHBondContact O-N 3.42Å; L153-L155 PolarHBondContact O-N 2.95Å; L153-L156 VanDerWaalsContact O-CB 3.26Å; L153-L156 WeakPolarHBondContact O-CB 3.35Å; L153-L156 PolarHBondContact O-N 3.02Å; L153-L156 VanDerWaalsContact O-N 3.16Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.36Å |
| 154 | L | 64.1 | Low | 61.9 | Low | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 176.2 | -78.4 | 167.1 | 0 | 0 | 0 | 112.1 | V150 L156 L157 N158 F165 L168 I169 | V150-L154 HydrophobicContact CG1-CD1 3.71Å; V150-L154 HydrophobicContact CG1-CG 4.06Å; V150-L154 WeakPolarHBondContact O-CB 3.37Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 3.28Å; L154-L156 VanDerWaalsContact C-N 3.3Å; L154-L156 PolarHBondContact O-N 3.24Å; L154-L157 PolarHBondContact O-N 2.9Å; L154-N158 PolarHBondContact O-N 3.47Å; L154-F165 HydrophobicContact CB-CE2 4.42Å; L154-F165 HydrophobicContact CD2-CD2 4.36Å; L154-F165 HydrophobicContact CD2-CE2 4.25Å; L154-F165 VanDerWaalsContact O-CE2 3.31Å; L154-F165 WeakPolarHBondContact O-CE2 3.38Å; L154-L168 HydrophobicContact CD2-CB 4.28Å; L154-I169 HydrophobicContact CD2-CG1 4.46Å |
| 155 | L | 63.3 | Low | 61.4 | Low | 100 Ų | 100 | 70.5 Ų | 70.5 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 174.9 | -176.5 | 64.1 | 0 | 0 | 0 | 111.5 | L151 L153 L157 N158 H159 | L151-L155 PolarHBondContact O-N 3.29Å; L153-L155 PolarHBondContact O-N 2.95Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 3.38Å; L155-N158 WeakPolarHBondContact O-CB 3.37Å; L155-N158 PolarHBondContact O-N 3.11Å; L155-H159 PolarHBondContact O-CD2 2.9Å; L155-H159 PolarHBondContact O-N 3.45Å; L155-H159 VanDerWaalsContact O-N 3.11Å |
| 156 | L | 63.9 | Low | 61.4 | Low | 36 Ų | 36 | 72.5 Ų | 72.5 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.3 | -140.9 | 75.4 | 0 | 0 | 0 | 111.8 | F128 I136 S152 L153 L154 H159 L160 | F128-L156 HydrophobicContact CB-CD2 3.46Å; F128-L156 VanDerWaalsContact CB-CD2 3.46Å; F128-L156 HydrophobicContact CB-CG 3.99Å; F128-L156 HydrophobicContact CD1-CD1 4.3Å; F128-L156 HydrophobicContact CD1-CG 4.47Å; F128-L156 HydrophobicContact CD2-CD1 4.18Å; F128-L156 HydrophobicContact CD2-CD2 4.02Å; F128-L156 HydrophobicContact CD2-CG 3.58Å; F128-L156 HydrophobicContact CE2-CD1 4.48Å; F128-L156 HydrophobicContact CE2-CG 4.16Å; F128-L156 HydrophobicContact CG-CD1 4.08Å; F128-L156 HydrophobicContact CG-CD2 3.85Å; F128-L156 HydrophobicContact CG-CG 3.77Å; I136-L156 HydrophobicContact CG2-CD2 4.41Å; S152-L156 PolarHBondContact O-N 3.07Å; L153-L156 VanDerWaalsContact O-CB 3.26Å; L153-L156 WeakPolarHBondContact O-CB 3.35Å; L153-L156 PolarHBondContact O-N 3.02Å; L153-L156 VanDerWaalsContact O-N 3.16Å; L154-L156 VanDerWaalsContact C-N 3.3Å; L154-L156 PolarHBondContact O-N 3.24Å; L156-H159 PolarHBondContact O-N 2.76Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 3.34Å |
| 157 | L | 66.2 | Low | 61.9 | Low | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 175.9 | -68.7 | 172.8 | 0 | 0 | 0 | 112.6 | I136 L137 T140 L153 L154 L155 L160 K161 L162 F165 L168 | I136-L157 HydrophobicContact CB-CD2 4.21Å; I136-L157 HydrophobicContact CG2-CD2 3.59Å; I136-L157 HydrophobicContact CG2-CG 4.08Å; L137-L157 HydrophobicContact CD2-CD1 4Å; L137-L157 HydrophobicContact CD2-CD2 3.65Å; L137-L157 HydrophobicContact CD2-CG 4.49Å; L137-L157 HydrophobicContact CG-CD2 4.07Å; T140-L157 HydrophobicContact CG2-CD1 4.05Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.36Å; L154-L157 PolarHBondContact O-N 2.9Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 3.38Å; L157-L160 PolarHBondContact O-N 3.47Å; L157-L160 VanDerWaalsContact O-N 3.11Å; L157-K161 PolarHBondContact O-N 2.83Å; L157-L162 HydrophobicContact CD2-CD1 3.63Å; L157-F165 HydrophobicContact CB-CD2 4.32Å; L157-L168 HydrophobicContact CD1-CD1 4.24Å |
| 158 | N | 62.8 | Low | 61.7 | Low | 80 Ų | 80 | 69.2 Ų | 69.2 | 43% | 0.428 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 174.4 | -173.1 | 23.2 | 0 | 0 | 0 | 111.3 | L154 L155 L160 K161 F165 | L154-N158 PolarHBondContact O-N 3.47Å; L155-N158 WeakPolarHBondContact O-CB 3.37Å; L155-N158 PolarHBondContact O-N 3.11Å; N158-L160 PolarHBondContact O-N 3.26Å; N158-L160 VanDerWaalsContact O-N 3.16Å; N158-K161 PolarHBondContact O-N 3.34Å; N158-F165 HydrophobicContact CB-CD2 4.46Å; N158-F165 HydrophobicContact CB-CE1 4.17Å; N158-F165 HydrophobicContact CB-CE2 3.81Å; N158-F165 HydrophobicContact CB-CZ 3.62Å |
| 159 | H | 60.6 | Low | 61.7 | Low | 128 Ų | 128 | 67.3 Ų | 67.3 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.6 | -28 | 174.8 | -78.7 | -64.9 | 0 | 0 | 0 | 113.1 | F128 L155 L156 K161 | F128-H159 HydrophobicContact CE2-CB 4.38Å; L155-H159 PolarHBondContact O-CD2 2.9Å; L155-H159 PolarHBondContact O-N 3.45Å; L155-H159 VanDerWaalsContact O-N 3.11Å; L156-H159 PolarHBondContact O-N 2.76Å; H159-K161 VanDerWaalsContact C-N 3.34Å |
| 160 | L | 63.3 | Low | 61.6 | Low | 29 Ų | 29 | 71.5 Ų | 71.5 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.2 | 178.7 | -67.2 | 174 | 0 | 0 | 0 | 114.5 | F128 K133 I136 L156 L157 N158 L162 | F128-L160 HydrophobicContact CD2-CD1 3.77Å; F128-L160 HydrophobicContact CD2-CD2 3.83Å; F128-L160 HydrophobicContact CD2-CG 3.81Å; F128-L160 HydrophobicContact CE2-CD1 4.19Å; F128-L160 HydrophobicContact CE2-CD2 3.58Å; F128-L160 HydrophobicContact CE2-CG 3.68Å; K133-L160 HydrophobicContact CD-CB 4.45Å; K133-L160 HydrophobicContact CD-CD1 4.43Å; K133-L160 HydrophobicContact CD-CD2 4.39Å; K133-L160 HydrophobicContact CG-CD1 4.04Å; K133-L160 HydrophobicContact CG-CD2 4.43Å; I136-L160 HydrophobicContact CD1-CD1 3.56Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 3.34Å; L157-L160 PolarHBondContact O-N 3.47Å; L157-L160 VanDerWaalsContact O-N 3.11Å; N158-L160 PolarHBondContact O-N 3.26Å; N158-L160 VanDerWaalsContact O-N 3.16Å; L160-L162 VanDerWaalsContact C-N 3.27Å; L160-L162 HydrophobicContact CB-CD1 4.1Å; L160-L162 HydrophobicContact CB-CG 4.12Å; L160-L162 HydrophobicContact CD1-CD1 4.39Å; L160-L162 PolarHBondContact O-N 3.48Å |
| 161 | K | 63.2 | Low | 61.3 | Low | 194 Ų | 194 | 75.9 Ų | 75.9 | 84% | 0.843 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 43.2 | -179.4 | -62.2 | -175.9 | 179.4 | -179.2 | 0 | 113.3 | L157 N158 H159 | L157-K161 PolarHBondContact O-N 2.83Å; N158-K161 PolarHBondContact O-N 3.34Å; H159-K161 VanDerWaalsContact C-N 3.34Å |
| 162 | L | 61.5 | Low | 60.7 | Low | 41 Ų | 41 | 72.3 Ų | 72.3 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | trans | -81.5 | 124.5 | 180 | -72.2 | 166.2 | 0 | 0 | 0 | 110.6 | K133 L137 L157 L160 K164 F165 | K133-L162 HydrophobicContact CB-CD1 4.37Å; K133-L162 HydrophobicContact CD-CD2 4.09Å; L137-L162 HydrophobicContact CD1-CD1 4.38Å; L137-L162 HydrophobicContact CD2-CD1 4.39Å; L137-L162 HydrophobicContact CG-CD1 4.36Å; L157-L162 HydrophobicContact CD2-CD1 3.63Å; L160-L162 VanDerWaalsContact C-N 3.27Å; L160-L162 HydrophobicContact CB-CD1 4.1Å; L160-L162 HydrophobicContact CB-CG 4.12Å; L160-L162 HydrophobicContact CD1-CD1 4.39Å; L160-L162 PolarHBondContact O-N 3.48Å; L162-K164 PolarHBondContact O-N 3.44Å; L162-K164 VanDerWaalsContact O-N 3.09Å; L162-F165 WeakPolarHBondContact O-CB 3.17Å; L162-F165 PolarHBondContact O-N 3.23Å | ||
| 163 | E | 57.7 | Low | 60.1 | Low | 190 Ų | 190 | 71.6 Ų | 71.6 | 89% | 0.888 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -25.2 | -179.2 | -69.8 | 177.3 | 161.3 | 0 | 0 | 113.8 | F165 | E163-F165 PolarHBondContact O-N 3.42Š|
| 164 | K | 60.5 | Low | 59 | Low | 151 Ų | 151 | 78 Ų | 78 | 66% | 0.657 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -4.7 | 176.6 | -63.4 | -173.2 | 178.5 | -174.3 | 0 | 114.2 | L162 S167 L168 | L162-K164 PolarHBondContact O-N 3.44Å; L162-K164 VanDerWaalsContact O-N 3.09Å; K164-S167 PolarHBondContact O-N 2.96Å; K164-L168 PolarHBondContact O-N 3.33Å |
| 165 | F | 55.5 | Low | 58.2 | Low | 43 Ų | 43 | 79.1 Ų | 79.1 | 19% | 0.189 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 177 | 176.5 | -115.7 | 0 | 0 | 0 | 112.8 | L154 L157 N158 L162 E163 S167 L168 I169 | L154-F165 HydrophobicContact CB-CE2 4.42Å; L154-F165 HydrophobicContact CD2-CD2 4.36Å; L154-F165 HydrophobicContact CD2-CE2 4.25Å; L154-F165 VanDerWaalsContact O-CE2 3.31Å; L154-F165 WeakPolarHBondContact O-CE2 3.38Å; L157-F165 HydrophobicContact CB-CD2 4.32Å; N158-F165 HydrophobicContact CB-CD2 4.46Å; N158-F165 HydrophobicContact CB-CE1 4.17Å; N158-F165 HydrophobicContact CB-CE2 3.81Å; N158-F165 HydrophobicContact CB-CZ 3.62Å; L162-F165 WeakPolarHBondContact O-CB 3.17Å; L162-F165 PolarHBondContact O-N 3.23Å; E163-F165 PolarHBondContact O-N 3.42Å; F165-S167 VanDerWaalsContact C-N 3.31Å; F165-S167 PolarHBondContact O-N 3.23Å; F165-L168 PolarHBondContact O-N 2.84Å; F165-I169 HydrophobicContact CD1-CD1 3.53Å; F165-I169 HydrophobicContact CD2-CD1 3.98Å; F165-I169 HydrophobicContact CD2-CG1 4.3Å; F165-I169 HydrophobicContact CE1-CD1 3.11Å; F165-I169 HydrophobicContact CE1-CG1 4.33Å; F165-I169 HydrophobicContact CE2-CD1 3.6Å; F165-I169 HydrophobicContact CE2-CG1 4Å; F165-I169 HydrophobicContact CG-CD1 3.96Å; F165-I169 HydrophobicContact CZ-CD1 3.16Å; F165-I169 HydrophobicContact CZ-CG1 4.04Å; F165-I169 WeakPolarHBondContact O-CG1 3.41Å; F165-I169 PolarHBondContact O-N 3.03Å |
| 166 | C | 56 | Low | 57.3 | Low | 82 Ų | 82 | 78.1 Ų | 78.1 | 55% | 0.554 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.5 | -37.3 | -179.3 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | N170 | C166-N170 WeakPolarHBondContact O-CB 3.31Å; C166-N170 VanDerWaalsContact O-CG 3.23Å; C166-N170 PolarHBondContact O-N 2.96Å; C166-N170 VanDerWaalsContact O-N 3.07Å; C166-N170 PolarHBondContact O-ND2 3.42Å |
| 167 | S | 59.4 | Low | 56.4 | Low | 71 Ų | 71 | 87.1 Ų | 87.1 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | K164 F165 N170 Q171 | K164-S167 PolarHBondContact O-N 2.96Å; F165-S167 VanDerWaalsContact C-N 3.31Å; F165-S167 PolarHBondContact O-N 3.23Å; S167-N170 PolarHBondContact O-N 2.9Å; S167-Q171 PolarHBondContact O-N 3.11Å; S167-Q171 VanDerWaalsContact O-N 3.1Å |
| 168 | L | 57.8 | Low | 55.3 | Low | 15 Ų | 15 | 92.9 Ų | 92.9 | 8% | 0.079 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 178.1 | -77.2 | 163 | 0 | 0 | 0 | 112.6 | L137 L154 L157 K164 F165 C172 | L137-L168 HydrophobicContact CD2-CD1 4.07Å; L154-L168 HydrophobicContact CD2-CB 4.28Å; L157-L168 HydrophobicContact CD1-CD1 4.24Å; K164-L168 PolarHBondContact O-N 3.33Å; F165-L168 PolarHBondContact O-N 2.84Å; L168-C172 VanDerWaalsContact O-CB 3.28Å; L168-C172 WeakPolarHBondContact O-CB 3.47Å; L168-C172 PolarHBondContact O-N 3.17Å |
| 169 | I | 59.6 | Low | 54.1 | Low | 64 Ų | 64 | 94.6 Ų | 94.6 | 33% | 0.328 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 172.9 | -71.5 | 165.4 | 0 | 0 | 0 | 110.9 | L154 F165 Q171 C172 S173 | L154-I169 HydrophobicContact CD2-CG1 4.46Å; F165-I169 HydrophobicContact CD1-CD1 3.53Å; F165-I169 HydrophobicContact CD2-CD1 3.98Å; F165-I169 HydrophobicContact CD2-CG1 4.3Å; F165-I169 HydrophobicContact CE1-CD1 3.11Å; F165-I169 HydrophobicContact CE1-CG1 4.33Å; F165-I169 HydrophobicContact CE2-CD1 3.6Å; F165-I169 HydrophobicContact CE2-CG1 4Å; F165-I169 HydrophobicContact CG-CD1 3.96Å; F165-I169 HydrophobicContact CZ-CD1 3.16Å; F165-I169 HydrophobicContact CZ-CG1 4.04Å; F165-I169 WeakPolarHBondContact O-CG1 3.41Å; F165-I169 PolarHBondContact O-N 3.03Å; I169-Q171 PolarHBondContact O-N 2.98Å; I169-C172 CarbonylContact O-C 3.58Å; I169-C172 WeakPolarHBondContact O-CB 3.45Å; I169-C172 PolarHBondContact O-N 3.09Å; I169-C172 VanDerWaalsContact O-N 3.13Å; I169-S173 WeakPolarHBondContact O-CB 3.25Å; I169-S173 PolarHBondContact O-N 3.41Å; I169-S173 PolarHBondContact O-OG 3.44Å |
| 170 | N | 58.2 | Low | 52.9 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 54% | 0.535 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | -179.4 | -73.9 | -15 | 0 | 0 | 0 | 110.8 | C166 S167 C172 S173 E174 | C166-N170 WeakPolarHBondContact O-CB 3.31Å; C166-N170 VanDerWaalsContact O-CG 3.23Å; C166-N170 PolarHBondContact O-N 2.96Å; C166-N170 VanDerWaalsContact O-N 3.07Å; C166-N170 PolarHBondContact O-ND2 3.42Å; S167-N170 PolarHBondContact O-N 2.9Å; N170-C172 VanDerWaalsContact C-N 3.32Å; N170-C172 PolarHBondContact O-N 2.95Å; N170-S173 PolarHBondContact O-N 3.41Å; N170-S173 PolarHBondContact O-OG 3.49Å; N170-E174 PolarHBondContact O-N 3.4Å |
| 171 | Q | 57.9 | Low | 51.7 | Low | 96 Ų | 96 | 95.4 Ų | 95.4 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 173 | -70.4 | -178.1 | -49.5 | 0 | 0 | 112.5 | L145 S167 I169 E174 S175 | L145-Q171 HydrophobicContact CD1-CB 3.49Å; L145-Q171 VanDerWaalsContact CD1-CB 3.49Å; S167-Q171 PolarHBondContact O-N 3.11Å; S167-Q171 VanDerWaalsContact O-N 3.1Å; I169-Q171 PolarHBondContact O-N 2.98Å; Q171-E174 PolarHBondContact O-N 3.24Å; Q171-S175 WeakPolarHBondContact O-CB 3.42Å; Q171-S175 PolarHBondContact O-N 3.29Å; Q171-S175 PolarHBondContact O-OG 2.88Å |
| 172 | C | 53.2 | Low | 50.5 | Low | 11 Ų | 11 | 95.3 Ų | 95.3 | 7% | 0.074 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 175.2 | -161.7 | 0 | 0 | 0 | 0 | 110.5 | L145 L168 I169 N170 E174 S175 Q176 | L145-C172 HydrophobicContact CD2-CB 3.71Å; L168-C172 VanDerWaalsContact O-CB 3.28Å; L168-C172 WeakPolarHBondContact O-CB 3.47Å; L168-C172 PolarHBondContact O-N 3.17Å; I169-C172 CarbonylContact O-C 3.58Å; I169-C172 WeakPolarHBondContact O-CB 3.45Å; I169-C172 PolarHBondContact O-N 3.09Å; I169-C172 VanDerWaalsContact O-N 3.13Å; N170-C172 VanDerWaalsContact C-N 3.32Å; N170-C172 PolarHBondContact O-N 2.95Å; C172-E174 VanDerWaalsContact C-N 3.32Å; C172-E174 PolarHBondContact O-N 3.28Å; C172-S175 CarbonylContact O-C 3.48Å; C172-S175 WeakPolarHBondContact O-CA 3.44Å; C172-S175 WeakPolarHBondContact O-CB 3.44Å; C172-S175 PolarHBondContact O-N 2.98Å; C172-S175 VanDerWaalsContact O-N 3.12Å; C172-Q176 VanDerWaalsContact O-CB 3.26Å; C172-Q176 WeakPolarHBondContact O-CB 3.31Å; C172-Q176 PolarHBondContact O-N 3.46Å |
| 173 | S | 51.7 | Low | 49.8 | Very low | 55 Ų | 55 | 98.6 Ų | 98.6 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -31.8 | 179.9 | 73.1 | 0 | 0 | 0 | 0 | 112.9 | I169 N170 Q176 | I169-S173 WeakPolarHBondContact O-CB 3.25Å; I169-S173 PolarHBondContact O-N 3.41Å; I169-S173 PolarHBondContact O-OG 3.44Å; N170-S173 PolarHBondContact O-N 3.41Å; N170-S173 PolarHBondContact O-OG 3.49Å; S173-Q176 PolarHBondContact O-N 3.16Å |
| 174 | E | 43.6 | Very low | 49.1 | Very low | 138 Ų | 138 | 92.9 Ų | 92.9 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.8 | -41.4 | 169.6 | -75.5 | -178.3 | 152.7 | 0 | 0 | 111.7 | N170 Q171 C172 Q176 | N170-E174 PolarHBondContact O-N 3.4Å; Q171-E174 PolarHBondContact O-N 3.24Å; C172-E174 VanDerWaalsContact C-N 3.32Å; C172-E174 PolarHBondContact O-N 3.28Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.22Å |
| 175 | S | 46.1 | Very low | 48.5 | Very low | 36 Ų | 36 | 90 Ų | 90 | 25% | 0.252 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.5 | -27.2 | 175 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | M146 Q171 C172 R177 V178 | M146-S175 WeakPolarHBondContact CE-O 3.18Å; Q171-S175 WeakPolarHBondContact O-CB 3.42Å; Q171-S175 PolarHBondContact O-N 3.29Å; Q171-S175 PolarHBondContact O-OG 2.88Å; C172-S175 CarbonylContact O-C 3.48Å; C172-S175 WeakPolarHBondContact O-CA 3.44Å; C172-S175 WeakPolarHBondContact O-CB 3.44Å; C172-S175 PolarHBondContact O-N 2.98Å; C172-S175 VanDerWaalsContact O-N 3.12Å; S175-R177 VanDerWaalsContact C-N 3.27Å; S175-R177 PolarHBondContact O-N 3.04Å; S175-V178 PolarHBondContact O-N 3.01Å |
| 176 | Q | 45.3 | Very low | 48 | Very low | 80 Ų | 80 | 93.3 Ų | 93.3 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -10.9 | -178.6 | -142.4 | 157 | 13 | 0 | 0 | 113.6 | C172 S173 E174 V178 L181 | C172-Q176 VanDerWaalsContact O-CB 3.26Å; C172-Q176 WeakPolarHBondContact O-CB 3.31Å; C172-Q176 PolarHBondContact O-N 3.46Å; S173-Q176 PolarHBondContact O-N 3.16Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.22Å; Q176-V178 PolarHBondContact O-N 3.45Å; Q176-L181 VanDerWaalsContact NE2-CD1 3.32Å |
| 177 | R | 43.4 | Very low | 47.6 | Very low | 224 Ų | 224 | 91.6 Ų | 91.6 | 85% | 0.845 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.5 | 170.6 | -75.5 | -176.6 | 173.8 | 171.2 | -0.2 | 112.9 | S175 | S175-R177 VanDerWaalsContact C-N 3.27Å; S175-R177 PolarHBondContact O-N 3.04Å |
| 178 | V | 43.5 | Very low | 47.1 | Very low | 122 Ų | 122 | 90.3 Ų | 90.3 | 74% | 0.739 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -27.4 | -179.1 | -179.2 | 0 | 0 | 0 | 0 | 113.3 | S175 Q176 | S175-V178 PolarHBondContact O-N 3.01Å; Q176-V178 PolarHBondContact O-N 3.45Å |
| 179 | F | 38.7 | Very low | 46.9 | Very low | 116 Ų | 116 | 96.7 Ų | 96.7 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -112.9 | 86.8 | 178 | -150.9 | -95.2 | 0 | 0 | 0 | 110.6 | M146 L181 | M146-F179 HydrophobicContact CE-CB 4.22Å; F179-L181 PolarHBondContact O-N 3.45Å |
| 180 | C | 35.2 | Very low | 46.3 | Very low | 105 Ų | 105 | 103.1 Ų | 103.1 | 71% | 0.709 | 53% | 0.525 | S | S | * | . | trans | -50.2 | 105 | 164.7 | -73 | 0 | 0 | 0 | 0 | 109.5 | R182 | C180-R182 VanDerWaalsContact C-N 3.26Å; C180-R182 PolarHBondContact O-N 2.98Å | ||
| 181 | L | 37.6 | Very low | 46.3 | Very low | 69 Ų | 69 | 101.3 Ų | 101.3 | 36% | 0.361 | 52% | 0.516 | S | S | . | . | trans | -52.9 | 99 | 153.6 | -83 | 165.7 | 0 | 0 | 0 | 106.4 | L151 Q176 F179 P183 L186 | L151-L181 HydrophobicContact CD1-CD2 4.5Å; Q176-L181 VanDerWaalsContact NE2-CD1 3.32Å; F179-L181 PolarHBondContact O-N 3.45Å; L181-P183 WeakPolarHBondContact O-CD 3.37Å; L181-L186 HydrophobicContact CD2-CD1 4.41Å | ||
| 182 | R | 38.1 | Very low | 46.5 | Very low | 192 Ų | 192 | 101.5 Ų | 101.5 | 73% | 0.725 | 52% | 0.519 | S | S | * | . | trans | -55.8 | 116.1 | 172.1 | -74.6 | -173.5 | -169 | 167 | 4.6 | 107.3 | C180 S184 V185 | C180-R182 VanDerWaalsContact C-N 3.26Å; C180-R182 PolarHBondContact O-N 2.98Å; R182-S184 PolarHBondContact O-N 3.46Å; R182-V185 PolarHBondContact O-N 3.28Å | ||
| 183 | P | 47.1 | Very low | 47.1 | Very low | 111 Ų | 111 | 110.8 Ų | 110.8 | 72% | 0.721 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.2 | -12.2 | 179 | -25.3 | 36.2 | 0 | 0 | 0 | 113.9 | L181 S187 | L181-P183 WeakPolarHBondContact O-CD 3.37Å; P183-S187 WeakPolarHBondContact O-CB 3.49Å; P183-S187 PolarHBondContact O-N 3.49Å; P183-S187 PolarHBondContact O-OG 3.37Å |
| 184 | S | 43.3 | Very low | 48 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 49% | 0.49 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -72.7 | -31 | -177.8 | 56.4 | 0 | 0 | 0 | 0 | 115 | R182 S187 A188 | R182-S184 PolarHBondContact O-N 3.46Å; S184-S187 VanDerWaalsContact C-OG 3.31Å; S184-S187 WeakPolarHBondContact CA-OG 2.99Å; S184-S187 PolarHBondContact O-OG 2.96Å; S184-A188 VanDerWaalsContact O-CB 3.27Å; S184-A188 WeakPolarHBondContact O-CB 3.39Å; S184-A188 PolarHBondContact O-N 3.4Å |
| 185 | V | 48.1 | Very low | 49.3 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -86.5 | -38.7 | -173.5 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | R182 A188 K189 | R182-V185 PolarHBondContact O-N 3.28Å; V185-A188 PolarHBondContact O-N 2.84Å; V185-K189 PolarHBondContact O-N 2.86Å |
| 186 | L | 45.3 | Very low | 50.6 | Low | 113 Ų | 113 | 117 Ų | 117 | 59% | 0.592 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.6 | -38.1 | 172.7 | -73.5 | 169.5 | 0 | 0 | 0 | 111.3 | L181 R190 | L181-L186 HydrophobicContact CD2-CD1 4.41Å; L186-R190 VanDerWaalsContact O-CB 3.25Å; L186-R190 WeakPolarHBondContact O-CB 3.27Å; L186-R190 PolarHBondContact O-N 2.91Å |
| 187 | S | 45.8 | Very low | 52 | Low | 47 Ų | 47 | 116.1 Ų | 116.1 | 33% | 0.329 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.2 | -40.4 | 170.9 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | P183 S184 R190 N191 | P183-S187 WeakPolarHBondContact O-CB 3.49Å; P183-S187 PolarHBondContact O-N 3.49Å; P183-S187 PolarHBondContact O-OG 3.37Å; S184-S187 VanDerWaalsContact C-OG 3.31Å; S184-S187 WeakPolarHBondContact CA-OG 2.99Å; S184-S187 PolarHBondContact O-OG 2.96Å; S187-R190 PolarHBondContact O-N 3.43Å; S187-N191 WeakPolarHBondContact O-CB 3.5Å; S187-N191 PolarHBondContact O-N 2.78Å; S187-N191 PolarHBondContact O-ND2 3.18Å; S187-N191 VanDerWaalsContact O-ND2 3.11Å; S187-N191 PolarHBondContact O-OD1 3.28Å |
| 188 | A | 50 | Low | 53.9 | Low | 43 Ų | 43 | 109.3 Ų | 109.3 | 36% | 0.355 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S184 V185 N191 N192 | S184-A188 VanDerWaalsContact O-CB 3.27Å; S184-A188 WeakPolarHBondContact O-CB 3.39Å; S184-A188 PolarHBondContact O-N 3.4Å; V185-A188 PolarHBondContact O-N 2.84Å; A188-N191 PolarHBondContact O-N 3.01Å; A188-N192 WeakPolarHBondContact O-CB 3.46Å; A188-N192 VanDerWaalsContact O-CG 3.28Å; A188-N192 PolarHBondContact O-N 3.23Å |
| 189 | K | 52.8 | Low | 55.6 | Low | 149 Ų | 149 | 111 Ų | 111 | 65% | 0.648 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -39.6 | 176 | -79.2 | -179 | 177.5 | 175.2 | 0 | 112.3 | V185 N192 R193 | V185-K189 PolarHBondContact O-N 2.86Å; K189-N192 PolarHBondContact O-N 3.36Å; K189-R193 PolarHBondContact O-N 3.43Å; K189-R193 VanDerWaalsContact O-N 3.11Å |
| 190 | R | 48.5 | Very low | 57.8 | Low | 200 Ų | 200 | 110.1 Ų | 110.1 | 76% | 0.755 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.2 | -40 | 174.1 | -173.9 | 174.2 | 179.8 | 163 | -0.7 | 111.9 | L186 S187 R193 R194 | L186-R190 VanDerWaalsContact O-CB 3.25Å; L186-R190 WeakPolarHBondContact O-CB 3.27Å; L186-R190 PolarHBondContact O-N 2.91Å; S187-R190 PolarHBondContact O-N 3.43Å; R190-R193 PolarHBondContact O-N 3.11Å; R190-R194 WeakPolarHBondContact O-CB 3.45Å; R190-R194 PolarHBondContact O-N 3.29Å |
| 191 | N | 56.3 | Low | 60.2 | Low | 62 Ų | 62 | 107.4 Ų | 107.4 | 33% | 0.332 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 177.6 | -71.8 | -19.6 | 0 | 0 | 0 | 111.5 | S187 A188 R194 R195 | S187-N191 WeakPolarHBondContact O-CB 3.5Å; S187-N191 PolarHBondContact O-N 2.78Å; S187-N191 PolarHBondContact O-ND2 3.18Å; S187-N191 VanDerWaalsContact O-ND2 3.11Å; S187-N191 PolarHBondContact O-OD1 3.28Å; A188-N191 PolarHBondContact O-N 3.01Å; N191-R194 PolarHBondContact O-N 3.05Å; N191-R195 WeakPolarHBondContact O-CB 3.34Å; N191-R195 VanDerWaalsContact O-CG 3.24Å; N191-R195 WeakPolarHBondContact O-CG 3.38Å; N191-R195 PolarHBondContact O-N 3.03Å |
| 192 | N | 63.4 | Low | 62.6 | Low | 99 Ų | 99 | 111.9 Ų | 111.9 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 175.6 | -73.9 | -9.2 | 0 | 0 | 0 | 111.9 | A188 K189 R195 A196 | A188-N192 WeakPolarHBondContact O-CB 3.46Å; A188-N192 VanDerWaalsContact O-CG 3.28Å; A188-N192 PolarHBondContact O-N 3.23Å; K189-N192 PolarHBondContact O-N 3.36Å; N192-R195 PolarHBondContact O-N 3.35Å; N192-A196 WeakPolarHBondContact O-CB 3.24Å; N192-A196 PolarHBondContact O-N 3.3Å |
| 193 | R | 65.1 | Low | 65 | Low | 206 Ų | 206 | 109.7 Ų | 109.7 | 78% | 0.777 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -40.6 | 173 | -72.2 | -176 | 177.8 | -173 | -0.8 | 112.1 | K189 R190 A196 A197 | K189-R193 PolarHBondContact O-N 3.43Å; K189-R193 VanDerWaalsContact O-N 3.11Å; R190-R193 PolarHBondContact O-N 3.11Å; R193-A196 PolarHBondContact O-N 2.93Å; R193-A197 WeakPolarHBondContact O-CB 3.07Å; R193-A197 PolarHBondContact O-N 3.47Å |
| 194 | R | 70.7 | Confident | 66.8 | Low | 168 Ų | 168 | 107.2 Ų | 107.2 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 174.9 | -165.2 | 179.4 | 88.6 | -176.3 | 5.5 | 111.5 | R190 N191 A197 E198 | R190-R194 WeakPolarHBondContact O-CB 3.45Å; R190-R194 PolarHBondContact O-N 3.29Å; N191-R194 PolarHBondContact O-N 3.05Å; R194-A197 PolarHBondContact O-N 3.4Å; R194-E198 WeakPolarHBondContact O-CB 3.49Å; R194-E198 PolarHBondContact O-N 2.94Å |
| 195 | R | 72.1 | Confident | 69.1 | Low | 163 Ų | 163 | 110.6 Ų | 110.6 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -36.4 | 176 | -73.9 | 174.5 | 179.6 | -174.1 | -0.2 | 112.3 | N191 N192 R199 | N191-R195 WeakPolarHBondContact O-CB 3.34Å; N191-R195 VanDerWaalsContact O-CG 3.24Å; N191-R195 WeakPolarHBondContact O-CG 3.38Å; N191-R195 PolarHBondContact O-N 3.03Å; N192-R195 PolarHBondContact O-N 3.35Å; R195-R199 WeakPolarHBondContact O-CB 3.28Å; R195-R199 VanDerWaalsContact O-CG 3.25Å; R195-R199 WeakPolarHBondContact O-CG 3.36Å; R195-R199 PolarHBondContact O-N 3.49Å |
| 196 | A | 72.2 | Confident | 71.1 | Confident | 29 Ų | 29 | 109.2 Ų | 109.2 | 24% | 0.24 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -66.3 | -52.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N192 R193 E198 R199 D200 | N192-A196 WeakPolarHBondContact O-CB 3.24Å; N192-A196 PolarHBondContact O-N 3.3Å; R193-A196 PolarHBondContact O-N 2.93Å; A196-E198 VanDerWaalsContact C-N 3.28Å; A196-E198 PolarHBondContact O-N 2.86Å; A196-R199 WeakPolarHBondContact O-CB 3.32Å; A196-R199 PolarHBondContact O-N 2.97Å; A196-R199 VanDerWaalsContact O-N 3.1Å; A196-D200 PolarHBondContact O-N 3.06Å |
| 197 | A | 75.6 | Confident | 73.3 | Confident | 61 Ų | 61 | 111 Ų | 111 | 50% | 0.504 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.7 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R193 R194 D200 A201 | R193-A197 WeakPolarHBondContact O-CB 3.07Å; R193-A197 PolarHBondContact O-N 3.47Å; R194-A197 PolarHBondContact O-N 3.4Å; A197-D200 PolarHBondContact O-N 3.25Å; A197-A201 VanDerWaalsContact O-CB 3.23Å; A197-A201 WeakPolarHBondContact O-CB 3.42Å; A197-A201 PolarHBondContact O-N 3.48Å |
| 198 | E | 83.1 | Confident | 75.3 | Confident | 81 Ų | 81 | 115.4 Ų | 115.4 | 38% | 0.379 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 176 | -170.7 | 178 | 174.9 | 0 | 0 | 112 | R194 A196 R202 | R194-E198 WeakPolarHBondContact O-CB 3.49Å; R194-E198 PolarHBondContact O-N 2.94Å; A196-E198 VanDerWaalsContact C-N 3.28Å; A196-E198 PolarHBondContact O-N 2.86Å; E198-R202 WeakPolarHBondContact O-CB 3.5Å; E198-R202 WeakPolarHBondContact O-CG 3.26Å; E198-R202 PolarHBondContact O-N 2.74Å; E198-R202 IonicContact OE1-CZ 3.82Å; E198-R202 IonicContact OE1-NE 2.73Å; E198-R202 IonicContact OE1-NH2 2.84Å; E198-R202 PolarHBondContact OE1-NH2 3.06Å |
| 199 | R | 79.4 | Confident | 77.3 | Confident | 159 Ų | 159 | 121.1 Ų | 121.1 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.2 | -44.7 | 172.4 | -77.1 | -176 | -57.6 | 163.8 | 4.5 | 111.5 | R195 A196 R202 K203 | R195-R199 WeakPolarHBondContact O-CB 3.28Å; R195-R199 VanDerWaalsContact O-CG 3.25Å; R195-R199 WeakPolarHBondContact O-CG 3.36Å; R195-R199 PolarHBondContact O-N 3.49Å; A196-R199 WeakPolarHBondContact O-CB 3.32Å; A196-R199 PolarHBondContact O-N 2.97Å; A196-R199 VanDerWaalsContact O-N 3.1Å; R199-R202 PolarHBondContact O-N 3.36Å; R199-K203 WeakPolarHBondContact O-CG 3.41Å; R199-K203 PolarHBondContact O-N 3.43Å |
| 200 | D | 83.7 | Confident | 79.1 | Confident | 96 Ų | 96 | 120.9 Ų | 120.9 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.2 | -40 | -179.6 | -64 | -24 | 0 | 0 | 0 | 111.3 | A196 A197 R202 K203 A204 | A196-D200 PolarHBondContact O-N 3.06Å; A197-D200 PolarHBondContact O-N 3.25Å; D200-R202 PolarHBondContact O-N 3.36Å; D200-K203 PolarHBondContact O-N 3.11Å; D200-A204 WeakPolarHBondContact O-CB 3.48Å; D200-A204 PolarHBondContact O-N 2.91Å |
| 201 | A | 85.5 | Confident | 81.1 | Confident | 48 Ų | 48 | 116.4 Ų | 116.4 | 40% | 0.397 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.6 | -39.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A197 A204 K205 | A197-A201 VanDerWaalsContact O-CB 3.23Å; A197-A201 WeakPolarHBondContact O-CB 3.42Å; A197-A201 PolarHBondContact O-N 3.48Å; A201-A204 PolarHBondContact O-N 3.09Å; A201-K205 WeakPolarHBondContact O-CB 3.3Å; A201-K205 WeakPolarHBondContact O-CG 3.48Å; A201-K205 PolarHBondContact O-N 3.27Å |
| 202 | R | 87.8 | Confident | 82.6 | Confident | 164 Ų | 164 | 118.4 Ų | 118.4 | 62% | 0.619 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.9 | -43 | 174 | -75.8 | 175.1 | -171.5 | -163.4 | 4.1 | 111.4 | E198 R199 D200 K205 A206 | E198-R202 WeakPolarHBondContact O-CB 3.5Å; E198-R202 WeakPolarHBondContact O-CG 3.26Å; E198-R202 PolarHBondContact O-N 2.74Å; E198-R202 IonicContact OE1-CZ 3.82Å; E198-R202 IonicContact OE1-NE 2.73Å; E198-R202 IonicContact OE1-NH2 2.84Å; E198-R202 PolarHBondContact OE1-NH2 3.06Å; R199-R202 PolarHBondContact O-N 3.36Å; D200-R202 PolarHBondContact O-N 3.36Å; R202-K205 PolarHBondContact O-N 3.42Å; R202-A206 WeakPolarHBondContact O-CB 3.31Å; R202-A206 PolarHBondContact O-N 3.34Å |
| 203 | K | 88.3 | Confident | 84 | Confident | 146 Ų | 146 | 115.3 Ų | 115.3 | 64% | 0.635 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 175.5 | -73.7 | 178.7 | -179.5 | -178.8 | 0 | 111.9 | R199 D200 A206 K207 | R199-K203 WeakPolarHBondContact O-CG 3.41Å; R199-K203 PolarHBondContact O-N 3.43Å; D200-K203 PolarHBondContact O-N 3.11Å; K203-A206 PolarHBondContact O-N 3.22Å; K203-K207 WeakPolarHBondContact O-CB 3.35Å; K203-K207 PolarHBondContact O-N 3.5Å |
| 204 | A | 85.9 | Confident | 85.2 | Confident | 59 Ų | 59 | 110.6 Ų | 110.6 | 49% | 0.488 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -48.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D200 A201 A206 K207 E208 | D200-A204 WeakPolarHBondContact O-CB 3.48Å; D200-A204 PolarHBondContact O-N 2.91Å; A201-A204 PolarHBondContact O-N 3.09Å; A204-A206 VanDerWaalsContact C-N 3.33Å; A204-A206 PolarHBondContact O-N 2.97Å; A204-K207 PolarHBondContact O-N 2.89Å; A204-E208 WeakPolarHBondContact O-CB 3.25Å; A204-E208 PolarHBondContact O-N 3Å |
| 205 | K | 91.1 | Very high | 86.1 | Confident | 140 Ų | 140 | 108.6 Ų | 108.6 | 61% | 0.609 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.4 | -38.7 | 175.8 | -73.3 | -178.5 | 179.2 | -172.2 | 0 | 112.7 | A201 R202 K209 | A201-K205 WeakPolarHBondContact O-CB 3.3Å; A201-K205 WeakPolarHBondContact O-CG 3.48Å; A201-K205 PolarHBondContact O-N 3.27Å; R202-K205 PolarHBondContact O-N 3.42Å; K205-K209 WeakPolarHBondContact O-CB 3.3Å; K205-K209 VanDerWaalsContact O-CG 3.31Å; K205-K209 WeakPolarHBondContact O-CG 3.46Å; K205-K209 PolarHBondContact O-N 2.96Å |
| 206 | A | 90.3 | Very high | 86.9 | Confident | 60 Ų | 60 | 106.2 Ų | 106.2 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R202 K203 A204 K210 | R202-A206 WeakPolarHBondContact O-CB 3.31Å; R202-A206 PolarHBondContact O-N 3.34Å; K203-A206 PolarHBondContact O-N 3.22Å; A204-A206 VanDerWaalsContact C-N 3.33Å; A204-A206 PolarHBondContact O-N 2.97Å; A206-K210 WeakPolarHBondContact O-CB 3.36Å; A206-K210 PolarHBondContact O-N 2.65Å |
| 207 | K | 90.6 | Very high | 87.7 | Confident | 151 Ų | 151 | 108.1 Ų | 108.1 | 66% | 0.657 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 176.1 | -172.7 | 178.5 | 178.5 | -177.3 | 0 | 111.6 | K203 A204 K210 L211 | K203-K207 WeakPolarHBondContact O-CB 3.35Å; K203-K207 PolarHBondContact O-N 3.5Å; A204-K207 PolarHBondContact O-N 2.89Å; K207-K210 PolarHBondContact O-N 3.27Å; K207-L211 WeakPolarHBondContact O-CB 3.25Å; K207-L211 PolarHBondContact O-N 2.91Å |
| 208 | E | 88.8 | Confident | 88.4 | Confident | 140 Ų | 140 | 110.3 Ų | 110.3 | 65% | 0.654 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -45 | 177.4 | -171.7 | 178.7 | -170.2 | 0 | 0 | 111.7 | A204 K210 L211 H212 | A204-E208 WeakPolarHBondContact O-CB 3.25Å; A204-E208 PolarHBondContact O-N 3Å; E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.32Å; E208-L211 PolarHBondContact O-N 3.29Å; E208-H212 WeakPolarHBondContact O-CB 3.1Å; E208-H212 PolarHBondContact O-N 3.21Å |
| 209 | K | 91.8 | Very high | 88.5 | Confident | 163 Ų | 163 | 108.7 Ų | 108.7 | 71% | 0.709 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.9 | -40.9 | 174.2 | -75.8 | -178.1 | 177.8 | -166.2 | 0 | 112.7 | K205 H212 G213 | K205-K209 WeakPolarHBondContact O-CB 3.3Å; K205-K209 VanDerWaalsContact O-CG 3.31Å; K205-K209 WeakPolarHBondContact O-CG 3.46Å; K205-K209 PolarHBondContact O-N 2.96Å; K209-H212 PolarHBondContact O-N 3.43Å; K209-G213 PolarHBondContact O-N 2.85Å |
| 210 | K | 91.4 | Very high | 88.9 | Confident | 144 Ų | 144 | 103.3 Ų | 103.3 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.6 | -47 | 176.1 | -172.7 | -178 | 179.6 | -165.2 | 0 | 111 | A206 K207 E208 H212 G213 E214 | A206-K210 WeakPolarHBondContact O-CB 3.36Å; A206-K210 PolarHBondContact O-N 2.65Å; K207-K210 PolarHBondContact O-N 3.27Å; E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.32Å; K210-H212 VanDerWaalsContact C-N 3.32Å; K210-H212 PolarHBondContact O-N 2.7Å; K210-G213 PolarHBondContact O-N 3.11Å; K210-E214 WeakPolarHBondContact CE-OE1 3.24Å; K210-E214 IonicContact NZ-OE1 2.7Å; K210-E214 WeakPolarHBondContact O-CG 3.38Å; K210-E214 PolarHBondContact O-N 3.43Å |
| 211 | L | 90.6 | Very high | 89.2 | Confident | 105 Ų | 105 | 100.9 Ų | 100.9 | 55% | 0.55 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -34.5 | -179.4 | -155.4 | 140.8 | 0 | 0 | 0 | 111.8 | K207 E208 K215 | K207-L211 WeakPolarHBondContact O-CB 3.25Å; K207-L211 PolarHBondContact O-N 2.91Å; E208-L211 PolarHBondContact O-N 3.29Å; L211-K215 WeakPolarHBondContact O-CB 3.48Å; L211-K215 PolarHBondContact O-N 3.41Å |
| 212 | H | 88.2 | Confident | 89.5 | Confident | 105 Ų | 105 | 100.5 Ų | 100.5 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 172.1 | -170.8 | 64.1 | 0 | 0 | 0 | 111.9 | E208 K209 K210 E214 K215 E216 | E208-H212 WeakPolarHBondContact O-CB 3.1Å; E208-H212 PolarHBondContact O-N 3.21Å; K209-H212 PolarHBondContact O-N 3.43Å; K210-H212 VanDerWaalsContact C-N 3.32Å; K210-H212 PolarHBondContact O-N 2.7Å; H212-E214 PolarHBondContact O-N 3.3Å; H212-K215 WeakPolarHBondContact O-CB 3.45Å; H212-K215 PolarHBondContact O-N 2.97Å; H212-E216 IonicContact NE2-OE1 2.59Å; H212-E216 PolarHBondContact NE2-OE1 2.95Å; H212-E216 WeakPolarHBondContact O-CG 3.45Å; H212-E216 PolarHBondContact O-N 3.49Å |
| 213 | G | 90.9 | Very high | 89.6 | Confident | 33 Ų | 33 | 95.3 Ų | 95.3 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K209 K210 E216 A217 | K209-G213 PolarHBondContact O-N 2.85Å; K210-G213 PolarHBondContact O-N 3.11Å; G213-E216 PolarHBondContact O-N 3.21Å; G213-A217 WeakPolarHBondContact O-CB 3.34Å; G213-A217 PolarHBondContact O-N 2.99Å |
| 214 | E | 90.8 | Very high | 89.8 | Confident | 107 Ų | 107 | 89.9 Ų | 89.9 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 172.6 | -74.6 | 172.3 | -178.2 | 0 | 0 | 111.6 | K210 H212 L218 | K210-E214 WeakPolarHBondContact CE-OE1 3.24Å; K210-E214 IonicContact NZ-OE1 2.7Å; K210-E214 WeakPolarHBondContact O-CG 3.38Å; K210-E214 PolarHBondContact O-N 3.43Å; H212-E214 PolarHBondContact O-N 3.3Å; E214-L218 WeakPolarHBondContact O-CB 3.35Å; E214-L218 PolarHBondContact O-N 3.36Å |
| 215 | K | 89.6 | Confident | 90.1 | Very high | 127 Ų | 127 | 87.2 Ų | 87.2 | 55% | 0.552 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.6 | -47.9 | 175.5 | -176.6 | -174.7 | 175.3 | -171.4 | 0 | 111.5 | L211 H212 A217 L218 L219 | L211-K215 WeakPolarHBondContact O-CB 3.48Å; L211-K215 PolarHBondContact O-N 3.41Å; H212-K215 WeakPolarHBondContact O-CB 3.45Å; H212-K215 PolarHBondContact O-N 2.97Å; K215-A217 PolarHBondContact O-N 3.44Å; K215-L218 PolarHBondContact O-N 3.2Å; K215-L219 HydrophobicContact CG-CD1 4.14Å; K215-L219 HydrophobicContact CG-CG 4.37Å; K215-L219 WeakPolarHBondContact O-CB 3.45Å; K215-L219 VanDerWaalsContact O-CG 3.3Å; K215-L219 WeakPolarHBondContact O-CG 3.31Å; K215-L219 PolarHBondContact O-N 3.22Å |
| 216 | E | 89.2 | Confident | 90.1 | Very high | 113 Ų | 113 | 80.8 Ų | 80.8 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 178.9 | -72.4 | -173.4 | 142.6 | 0 | 0 | 112 | H212 G213 L218 L219 G220 | H212-E216 IonicContact NE2-OE1 2.59Å; H212-E216 PolarHBondContact NE2-OE1 2.95Å; H212-E216 WeakPolarHBondContact O-CG 3.45Å; H212-E216 PolarHBondContact O-N 3.49Å; G213-E216 PolarHBondContact O-N 3.21Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 3.34Å; E216-L219 PolarHBondContact O-N 3.2Å; E216-G220 PolarHBondContact O-N 3.31Å |
| 217 | A | 90 | Very high | 90 | Very high | 68 Ų | 68 | 81.2 Ų | 81.2 | 56% | 0.562 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G213 K215 G220 A221 | G213-A217 WeakPolarHBondContact O-CB 3.34Å; G213-A217 PolarHBondContact O-N 2.99Å; K215-A217 PolarHBondContact O-N 3.44Å; A217-G220 PolarHBondContact O-N 3.02Å; A217-A221 WeakPolarHBondContact O-CB 3.31Å; A217-A221 PolarHBondContact O-N 3.29Å |
| 218 | L | 88.4 | Confident | 89.8 | Confident | 108 Ų | 108 | 74 Ų | 74 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.4 | -42.7 | 178.5 | -167.1 | 139.7 | 0 | 0 | 0 | 111.7 | E214 K215 E216 G220 A221 I222 | E214-L218 WeakPolarHBondContact O-CB 3.35Å; E214-L218 PolarHBondContact O-N 3.36Å; K215-L218 PolarHBondContact O-N 3.2Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 3.34Å; L218-G220 VanDerWaalsContact C-N 3.31Å; L218-G220 PolarHBondContact O-N 3.29Å; L218-A221 PolarHBondContact O-N 3.39Å; L218-A221 VanDerWaalsContact O-N 3.13Å; L218-I222 HydrophobicContact CD2-CD1 3.95Å; L218-I222 HydrophobicContact CD2-CG2 4.48Å; L218-I222 WeakPolarHBondContact O-CG1 3.31Å; L218-I222 PolarHBondContact O-N 2.98Å |
| 219 | L | 87.1 | Confident | 89.1 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 175.3 | -73.2 | 179 | 0 | 0 | 0 | 112.3 | K215 E216 A221 P239 | K215-L219 HydrophobicContact CG-CD1 4.14Å; K215-L219 HydrophobicContact CG-CG 4.37Å; K215-L219 WeakPolarHBondContact O-CB 3.45Å; K215-L219 VanDerWaalsContact O-CG 3.3Å; K215-L219 WeakPolarHBondContact O-CG 3.31Å; K215-L219 PolarHBondContact O-N 3.22Å; E216-L219 PolarHBondContact O-N 3.2Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.07Å; L219-P239 HydrophobicContact CD2-CB 3.59Å; L219-P239 HydrophobicContact CD2-CG 4.35Å |
| 220 | G | 86.3 | Confident | 88.3 | Confident | 47 Ų | 47 | 71.8 Ų | 71.8 | 49% | 0.485 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.5 | -25 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E216 A217 L218 K266 | E216-G220 PolarHBondContact O-N 3.31Å; A217-G220 PolarHBondContact O-N 3.02Å; L218-G220 VanDerWaalsContact C-N 3.31Å; L218-G220 PolarHBondContact O-N 3.29Å; G220-K266 WeakPolarHBondContact O-CD 3.47Å |
| 221 | A | 90.9 | Very high | 87.5 | Confident | 45 Ų | 45 | 70.5 Ų | 70.5 | 37% | 0.372 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -89.3 | -16.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | A217 L218 L219 K266 | A217-A221 WeakPolarHBondContact O-CB 3.31Å; A217-A221 PolarHBondContact O-N 3.29Å; L218-A221 PolarHBondContact O-N 3.39Å; L218-A221 VanDerWaalsContact O-N 3.13Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.07Å; A221-K266 VanDerWaalsContact O-CB 3.28Å; A221-K266 WeakPolarHBondContact O-CB 3.44Å; A221-K266 PolarHBondContact O-N 3.18Å |
| 222 | I | 91.8 | Very high | 86.9 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 21% | 0.205 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 153.8 | -178.5 | 68.3 | 176.1 | 0 | 0 | 0 | 112 | L218 V263 L264 | L218-I222 HydrophobicContact CD2-CD1 3.95Å; L218-I222 HydrophobicContact CD2-CG2 4.48Å; L218-I222 WeakPolarHBondContact O-CG1 3.31Å; L218-I222 PolarHBondContact O-N 2.98Å; I222-V263 HydrophobicContact CB-CG1 4.21Å; I222-V263 HydrophobicContact CG2-CG1 4.29Å; I222-L264 CarbonylContact C-O 3.56Å; I222-L264 WeakPolarHBondContact CA-O 3.43Å |
| 223 | K | 90.6 | Very high | 86.7 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 24% | 0.235 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.2 | 167.2 | -67.4 | -174.3 | 177.9 | 173.4 | 0 | 108.6 | Y225 L264 K266 | K223-Y225 HydrophobicContact CB-CD2 4.41Å; K223-Y225 HydrophobicContact CB-CE2 3.48Å; K223-Y225 VanDerWaalsContact CB-CE2 3.48Å; K223-Y225 HydrophobicContact CD-CE2 4.49Å; K223-Y225 WeakPolarHBondContact CD-OH 3.39Å; K223-L264 PolarHBondContact N-O 3.4Å; K223-L264 PolarHBondContact O-N 2.82Å; K223-K266 HydrophobicContact CG-CB 4.35Å |
| 224 | L | 92.3 | Very high | 86.6 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.3 | -178 | -145.3 | 111 | 0 | 0 | 0 | 109.6 | V237 F261 M262 V263 | L224-V237 HydrophobicContact CB-CB 4.25Å; L224-V237 HydrophobicContact CD2-CB 3.91Å; L224-V237 HydrophobicContact CD2-CG1 4Å; L224-V237 PolarHBondContact O-N 3.18Å; L224-F261 HydrophobicContact CD2-CB 4.18Å; L224-F261 HydrophobicContact CD2-CD1 3.63Å; L224-F261 HydrophobicContact CD2-CE1 4.29Å; L224-F261 HydrophobicContact CD2-CG 4.04Å; L224-M262 CarbonylContact C-O 3.54Å; L224-M262 WeakPolarHBondContact CA-O 3.28Å; L224-V263 HydrophobicContact CD1-CG2 3.93Å |
| 225 | Y | 90.7 | Very high | 86.5 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 158.7 | 178.9 | -56.7 | -91.5 | 0 | 0 | 0 | 111.3 | K223 L234 Y235 Q236 F261 M262 L264 L275 I280 | K223-Y225 HydrophobicContact CB-CD2 4.41Å; K223-Y225 HydrophobicContact CB-CE2 3.48Å; K223-Y225 VanDerWaalsContact CB-CE2 3.48Å; K223-Y225 HydrophobicContact CD-CE2 4.49Å; K223-Y225 WeakPolarHBondContact CD-OH 3.39Å; Y225-L234 HydrophobicContact CD1-CB 4.48Å; Y225-Y235 CarbonylContact C-O 3.51Å; Y225-Y235 WeakPolarHBondContact CA-O 2.95Å; Y225-Q236 HydrophobicContact CD1-CB 3.85Å; Y225-Q236 HydrophobicContact CD1-CG 4.2Å; Y225-Q236 HydrophobicContact CE1-CB 3.69Å; Y225-Q236 HydrophobicContact CE1-CG 3.8Å; Y225-F261 CarbonylContact O-C 3.57Å; Y225-F261 WeakPolarHBondContact O-CA 3.47Å; Y225-M262 PolarHBondContact N-O 2.92Å; Y225-M262 PolarHBondContact O-N 3.4Å; Y225-L264 HydrophobicContact CD2-CD1 3.94Å; Y225-L264 HydrophobicContact CD2-CG 4.31Å; Y225-L264 HydrophobicContact CE2-CB 4.25Å; Y225-L264 HydrophobicContact CE2-CD1 3.77Å; Y225-L264 HydrophobicContact CE2-CG 4.3Å; Y225-L275 HydrophobicContact CE1-CD2 4.33Å; Y225-L275 WeakPolarHBondContact OH-CD1 3.38Å; Y225-I280 HydrophobicContact CE1-CG2 4.32Å |
| 226 | F | 90.9 | Very high | 86.5 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 156.5 | 157.4 | 69.2 | -95.2 | 0 | 0 | 0 | 110 | Y235 V237 T246 H249 F252 F261 L283 | F226-Y235 HydrophobicContact CD2-CD2 4.27Å; F226-Y235 HydrophobicContact CD2-CG 4.47Å; F226-Y235 HydrophobicContact CE1-CG 4.18Å; F226-Y235 AromaticContact CE2-CD2 3.56Å; F226-Y235 HydrophobicContact CE2-CD2 3.56Å; F226-Y235 HydrophobicContact CE2-CE2 4.46Å; F226-Y235 AromaticContact CE2-CG 3.69Å; F226-Y235 HydrophobicContact CE2-CG 3.69Å; F226-Y235 HydrophobicContact CZ-CD1 4.2Å; F226-Y235 AromaticContact CZ-CD2 3.9Å; F226-Y235 HydrophobicContact CZ-CD2 3.9Å; F226-Y235 AromaticContact CZ-CG 3.51Å; F226-Y235 HydrophobicContact CZ-CG 3.51Å; F226-Y235 PolarHBondContact N-O 3.03Å; F226-Y235 PolarHBondContact O-N 3.2Å; F226-V237 HydrophobicContact CD1-CG2 3.47Å; F226-V237 VanDerWaalsContact CD1-CG2 3.47Å; F226-V237 HydrophobicContact CE1-CG2 3.86Å; F226-T246 HydrophobicContact CD1-CG2 4.31Å; F226-T246 HydrophobicContact CE1-CG2 4.31Å; F226-H249 HydrophobicContact CZ-CB 4.44Å; F226-H249 AromaticContact CZ-ND1 3.53Å; F226-F252 HydrophobicContact CB-CD2 3.8Å; F226-F252 HydrophobicContact CB-CE2 3.5Å; F226-F252 AromaticContact CD1-CD2 3.56Å; F226-F252 HydrophobicContact CD1-CD2 3.56Å; F226-F252 AromaticContact CD1-CE2 3.94Å; F226-F252 HydrophobicContact CD1-CE2 3.94Å; F226-F252 HydrophobicContact CD2-CB 4.46Å; F226-F252 AromaticContact CD2-CD2 3.58Å; F226-F252 HydrophobicContact CD2-CD2 3.58Å; F226-F252 HydrophobicContact CD2-CE2 4.19Å; F226-F252 HydrophobicContact CD2-CG 4.38Å; F226-F252 AromaticContact CE1-CD2 3.93Å; F226-F252 HydrophobicContact CE1-CD2 3.93Å; F226-F252 HydrophobicContact CE2-CB 4.14Å; F226-F252 AromaticContact CE2-CD2 3.97Å; F226-F252 HydrophobicContact CE2-CD2 3.97Å; F226-F252 AromaticContact CG-CD2 3.37Å; F226-F252 HydrophobicContact CG-CD2 3.37Å; F226-F252 AromaticContact CG-CE2 3.64Å; F226-F252 HydrophobicContact CG-CE2 3.64Å; F226-F252 HydrophobicContact CZ-CB 4.33Å; F226-F252 HydrophobicContact CZ-CD2 4.13Å; F226-F261 HydrophobicContact CB-CD1 4.35Å; F226-L283 HydrophobicContact CE1-CD1 3.44Å; F226-L283 VanDerWaalsContact CE1-CD1 3.44Å; F226-L283 HydrophobicContact CE1-CD2 4.46Å; F226-L283 HydrophobicContact CZ-CD1 3.81Å |
| 227 | E | 88.6 | Confident | 86.6 | Confident | 70 Ų | 70 | 54.5 Ų | 54.5 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.3 | -179.9 | -171.6 | 161.2 | -154 | 0 | 0 | 110.2 | L234 M262 K278 | E227-L234 HydrophobicContact CB-CD2 3.79Å; E227-L234 HydrophobicContact CG-CD2 3.89Å; E227-M262 HydrophobicContact CB-CE 3.86Å; E227-K278 IonicContact OE1-NZ 3.48Å; E227-K278 PolarHBondContact OE1-NZ 2.96Å |
| 228 | D | 86.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 105 | 163.8 | 179.1 | -0.9 | 0 | 0 | 0 | 107.8 | E230 K231 E232 T233 Y235 R251 | D228-E230 VanDerWaalsContact C-N 3.28Å; D228-E230 PolarHBondContact O-N 3.19Å; D228-E230 PolarHBondContact OD1-N 3.12Å; D228-K231 PolarHBondContact O-N 3.42Å; D228-E232 WeakPolarHBondContact O-CA 3.43Å; D228-E232 PolarHBondContact O-N 2.95Å; D228-T233 PolarHBondContact N-O 3.48Å; D228-T233 PolarHBondContact O-N 2.74Å; D228-Y235 HydrophobicContact CB-CD2 4.19Å; D228-Y235 HydrophobicContact CB-CE2 3.82Å; D228-R251 HydrophobicContact CB-CB 4.49Å; D228-R251 WeakPolarHBondContact OD2-CD 3.33Å; D228-R251 IonicContact OD2-NH1 3.83Å |
| 229 | E | 73.5 | Confident | 86.3 | Confident | 115 Ų | 115 | 52.7 Ų | 52.7 | 54% | 0.537 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -22 | -174.8 | -64.9 | -171.1 | 173.3 | 0 | 0 | 113.8 | K231 K255 | E229-K231 VanDerWaalsContact C-N 3.26Å; E229-K231 PolarHBondContact O-N 3.3Å; E229-K255 WeakPolarHBondContact OE1-CE 3.33Å; E229-K255 IonicContact OE1-NZ 2.55Å; E229-K255 PolarHBondContact OE1-NZ 2.82Å; E229-K255 WeakPolarHBondContact OE2-CE 3.27Å; E229-K255 IonicContact OE2-NZ 2.59Å; E229-K255 PolarHBondContact OE2-NZ 3.48Å |
| 230 | E | 75.9 | Confident | 86.3 | Confident | 140 Ų | 140 | 58.2 Ų | 58.2 | 65% | 0.654 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -26.4 | 177.2 | -66.2 | -174.1 | 164.9 | 0 | 0 | 111.8 | D228 R251 | D228-E230 VanDerWaalsContact C-N 3.28Å; D228-E230 PolarHBondContact O-N 3.19Å; D228-E230 PolarHBondContact OD1-N 3.12Å; E230-R251 IonicContact OE2-NH1 3.72Å |
| 231 | K | 74.9 | Confident | 86.3 | Confident | 118 Ų | 118 | 57.7 Ų | 57.7 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -1.3 | -172.6 | -67.8 | -170.8 | 173.5 | -170.7 | 0 | 114.3 | D228 E229 T233 | D228-K231 PolarHBondContact O-N 3.42Å; E229-K231 VanDerWaalsContact C-N 3.26Å; E229-K231 PolarHBondContact O-N 3.3Å; K231-T233 HydrophobicContact CB-CG2 4.02Å; K231-T233 WeakPolarHBondContact O-CG2 3.38Å; K231-T233 PolarHBondContact O-N 3.03Å; K231-T233 VanDerWaalsContact O-N 3.16Å |
| 232 | E | 77.1 | Confident | 86.2 | Confident | 134 Ų | 134 | 58.9 Ų | 58.9 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 35.3 | -172.5 | -60.5 | -174.5 | 162.5 | 0 | 0 | 112.7 | D228 | D228-E232 WeakPolarHBondContact O-CA 3.43Å; D228-E232 PolarHBondContact O-N 2.95Å |
| 233 | T | 84.5 | Confident | 86.1 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.5 | -177.7 | 52.4 | 0 | 0 | 0 | 0 | 111 | D228 K231 K279 | D228-T233 PolarHBondContact N-O 3.48Å; D228-T233 PolarHBondContact O-N 2.74Å; K231-T233 HydrophobicContact CB-CG2 4.02Å; K231-T233 WeakPolarHBondContact O-CG2 3.38Å; K231-T233 PolarHBondContact O-N 3.03Å; K231-T233 VanDerWaalsContact O-N 3.16Å; T233-K279 HydrophobicContact CG2-CB 3.86Å |
| 234 | L | 88.8 | Confident | 86 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.9 | 178.1 | -62.6 | -177.3 | 0 | 0 | 0 | 111 | Y225 E227 M262 F274 L275 K278 K279 I280 H281 | Y225-L234 HydrophobicContact CD1-CB 4.48Å; E227-L234 HydrophobicContact CB-CD2 3.79Å; E227-L234 HydrophobicContact CG-CD2 3.89Å; L234-M262 HydrophobicContact CD2-CE 3.28Å; L234-F274 HydrophobicContact CD1-CD1 4.36Å; L234-F274 HydrophobicContact CD1-CE1 3.71Å; L234-F274 HydrophobicContact CD1-CZ 4.48Å; L234-L275 HydrophobicContact CD1-CD2 3.95Å; L234-K278 HydrophobicContact CD1-CB 3.8Å; L234-K278 HydrophobicContact CD1-CG 4.03Å; L234-K278 HydrophobicContact CG-CB 4.1Å; L234-K278 HydrophobicContact CG-CG 4.39Å; L234-K279 PolarHBondContact N-O 3.38Å; L234-I280 CarbonylContact O-C 3.51Å; L234-I280 WeakPolarHBondContact O-CA 3.49Å; L234-H281 PolarHBondContact O-N 3.38Å |
| 235 | Y | 89.2 | Confident | 85.8 | Confident | 29 Ų | 29 | 69 Ų | 69 | 11% | 0.114 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 118.4 | 177 | -78.7 | -85.7 | 0 | 0 | 0 | 109.8 | Y225 F226 D228 H249 R251 H281 L283 | Y225-Y235 CarbonylContact C-O 3.51Å; Y225-Y235 WeakPolarHBondContact CA-O 2.95Å; F226-Y235 HydrophobicContact CD2-CD2 4.27Å; F226-Y235 HydrophobicContact CD2-CG 4.47Å; F226-Y235 HydrophobicContact CE1-CG 4.18Å; F226-Y235 AromaticContact CE2-CD2 3.56Å; F226-Y235 HydrophobicContact CE2-CD2 3.56Å; F226-Y235 HydrophobicContact CE2-CE2 4.46Å; F226-Y235 AromaticContact CE2-CG 3.69Å; F226-Y235 HydrophobicContact CE2-CG 3.69Å; F226-Y235 HydrophobicContact CZ-CD1 4.2Å; F226-Y235 AromaticContact CZ-CD2 3.9Å; F226-Y235 HydrophobicContact CZ-CD2 3.9Å; F226-Y235 AromaticContact CZ-CG 3.51Å; F226-Y235 HydrophobicContact CZ-CG 3.51Å; F226-Y235 PolarHBondContact N-O 3.03Å; F226-Y235 PolarHBondContact O-N 3.2Å; D228-Y235 HydrophobicContact CB-CD2 4.19Å; D228-Y235 HydrophobicContact CB-CE2 3.82Å; Y235-H249 AromaticContact CE1-CE1 3.82Å; Y235-R251 HydrophobicContact CE2-CB 4.05Å; Y235-R251 HydrophobicContact CE2-CG 4.39Å; Y235-H281 CarbonylContact C-O 3.56Å; Y235-H281 VanDerWaalsContact CA-O 3.31Å; Y235-H281 WeakPolarHBondContact CA-O 3.34Å; Y235-H281 HydrophobicContact CD1-CB 3.72Å; Y235-H281 HydrophobicContact CE1-CB 3.57Å; Y235-L283 HydrophobicContact CD1-CD1 3.79Å; Y235-L283 HydrophobicContact CG-CD1 4.11Å |
| 236 | Q | 90.1 | Very high | 85.8 | Confident | 77 Ų | 77 | 69 Ų | 69 | 36% | 0.36 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.5 | 177.7 | -171.1 | -179.8 | -17.6 | 0 | 0 | 110.1 | Y225 H281 L283 | Y225-Q236 HydrophobicContact CD1-CB 3.85Å; Y225-Q236 HydrophobicContact CD1-CG 4.2Å; Y225-Q236 HydrophobicContact CE1-CB 3.69Å; Y225-Q236 HydrophobicContact CE1-CG 3.8Å; Q236-H281 PolarHBondContact N-O 3.23Å; Q236-L283 WeakPolarHBondContact O-CD1 3.42Å; Q236-L283 PolarHBondContact O-N 3.23Å |
| 237 | V | 90.4 | Very high | 85.7 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 3% | 0.03 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.9 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | L224 F226 P239 M241 T246 | L224-V237 HydrophobicContact CB-CB 4.25Å; L224-V237 HydrophobicContact CD2-CB 3.91Å; L224-V237 HydrophobicContact CD2-CG1 4Å; L224-V237 PolarHBondContact O-N 3.18Å; F226-V237 HydrophobicContact CD1-CG2 3.47Å; F226-V237 VanDerWaalsContact CD1-CG2 3.47Å; F226-V237 HydrophobicContact CE1-CG2 3.86Å; V237-P239 WeakPolarHBondContact O-CD 3.08Å; V237-M241 HydrophobicContact CG1-CE 4Å; V237-T246 HydrophobicContact CB-CG2 4.4Å; V237-T246 HydrophobicContact CG1-CG2 3.77Å; V237-T246 HydrophobicContact CG2-CG2 3.65Å |
| 238 | D | 87.2 | Confident | 85.7 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | trans | -70.7 | 121.7 | 169.2 | -173 | -13.2 | 0 | 0 | 0 | 110.1 | E240 M241 | D238-E240 PolarHBondContact O-N 3.41Å; D238-E240 VanDerWaalsContact O-N 3.16Å; D238-E240 PolarHBondContact OD1-N 3.24Å; D238-M241 HydrophobicContact CB-CB 4.24Å; D238-M241 VanDerWaalsContact O-CB 3.29Å; D238-M241 WeakPolarHBondContact O-CB 3.47Å; D238-M241 PolarHBondContact O-N 3.25Å | ||
| 239 | P | 85.7 | Confident | 85.8 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21 | 175.7 | -24.7 | 35 | 0 | 0 | 0 | 115.1 | L219 V237 M241 | L219-P239 HydrophobicContact CD2-CB 3.59Å; L219-P239 HydrophobicContact CD2-CG 4.35Å; V237-P239 WeakPolarHBondContact O-CD 3.08Å; P239-M241 VanDerWaalsContact C-N 3.33Å |
| 240 | E | 85.8 | Confident | 86.3 | Confident | 163 Ų | 163 | 81 Ų | 81 | 76% | 0.762 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -12.6 | 176.7 | -61.3 | -163.7 | 161.9 | 0 | 0 | 113 | D238 | D238-E240 PolarHBondContact O-N 3.41Å; D238-E240 VanDerWaalsContact O-N 3.16Å; D238-E240 PolarHBondContact OD1-N 3.24Å |
| 241 | M | 86.9 | Confident | 86.8 | Confident | 35 Ų | 35 | 78 Ų | 78 | 17% | 0.172 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -74.9 | 143.4 | 179.6 | -170.9 | 161.4 | 61.4 | 0 | 0 | 111.6 | V237 D238 P239 K245 T246 L283 | V237-M241 HydrophobicContact CG1-CE 4Å; D238-M241 HydrophobicContact CB-CB 4.24Å; D238-M241 VanDerWaalsContact O-CB 3.29Å; D238-M241 WeakPolarHBondContact O-CB 3.47Å; D238-M241 PolarHBondContact O-N 3.25Å; P239-M241 VanDerWaalsContact C-N 3.33Å; M241-K245 HydrophobicContact CG-CB 4.02Å; M241-K245 HydrophobicContact CG-CD 3.89Å; M241-K245 HydrophobicContact CG-CG 4.22Å; M241-K245 HydrophobicContact SD-CB 4.22Å; M241-K245 HydrophobicContact SD-CD 3.52Å; M241-K245 VanDerWaalsContact SD-CD 3.52Å; M241-K245 HydrophobicContact SD-CG 3.81Å; M241-T246 WeakPolarHBondContact CE-OG1 3.28Å; M241-L283 HydrophobicContact CE-CB 4.34Å; M241-L283 HydrophobicContact CE-CD2 4.26Å |
| 242 | S | 89.2 | Confident | 87.3 | Confident | 70 Ų | 70 | 73.3 Ų | 73.3 | 49% | 0.49 | 36% | 0.357 | S | S | . | . | trans | -65.4 | 139.7 | 176.6 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | L244 K245 T246 | S242-L244 PolarHBondContact O-N 3.47Å; S242-K245 PolarHBondContact O-N 3.28Å; S242-T246 PolarHBondContact O-N 3.38Å; S242-T246 PolarHBondContact O-OG1 3.07Å | ||
| 243 | L | 89.2 | Confident | 87.7 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.8 | -37.9 | 178.2 | -177.7 | 62 | 0 | 0 | 0 | 112 | K245 T246 L247 F261 | L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 2.98Å; L243-T246 PolarHBondContact O-N 3.37Å; L243-L247 HydrophobicContact CD1-CD1 4.34Å; L243-L247 HydrophobicContact CD1-CD2 4.46Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CD2-CD1 4.45Å; L243-L247 HydrophobicContact CG-CD1 3.93Å; L243-L247 HydrophobicContact CG-CG 4.2Å; L243-L247 VanDerWaalsContact O-CG 3.3Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 2.86Å; L243-F261 HydrophobicContact CD1-CE2 3.67Å; L243-F261 HydrophobicContact CD1-CZ 3.58Å |
| 244 | L | 89.5 | Confident | 87.7 | Confident | 115 Ų | 115 | 75.6 Ų | 75.6 | 60% | 0.602 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.4 | -45 | 177.5 | -179.7 | 65.4 | 0 | 0 | 0 | 112.3 | S242 T246 L247 Q248 | S242-L244 PolarHBondContact O-N 3.47Å; L244-T246 VanDerWaalsContact C-N 3.32Å; L244-T246 PolarHBondContact O-N 3.07Å; L244-L247 PolarHBondContact O-N 3.08Å; L244-Q248 HydrophobicContact CD1-CG 4.46Å; L244-Q248 VanDerWaalsContact O-CG 3.3Å; L244-Q248 WeakPolarHBondContact O-CG 3.15Å; L244-Q248 PolarHBondContact O-N 3.38Å; L244-Q248 VanDerWaalsContact O-N 3.08Å |
| 245 | K | 88.3 | Confident | 87.4 | Confident | 127 Ų | 127 | 80.8 Ų | 80.8 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67 | -37.1 | -178.7 | -173.9 | 174.2 | 169.2 | -157.9 | 0 | 111.1 | M241 S242 L243 | M241-K245 HydrophobicContact CG-CB 4.02Å; M241-K245 HydrophobicContact CG-CD 3.89Å; M241-K245 HydrophobicContact CG-CG 4.22Å; M241-K245 HydrophobicContact SD-CB 4.22Å; M241-K245 HydrophobicContact SD-CD 3.52Å; M241-K245 VanDerWaalsContact SD-CD 3.52Å; M241-K245 HydrophobicContact SD-CG 3.81Å; S242-K245 PolarHBondContact O-N 3.28Å; L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 2.98Å |
| 246 | T | 89.1 | Confident | 87.1 | Confident | 3 Ų | 3 | 84.7 Ų | 84.7 | 2% | 0.018 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 176 | -45.5 | 0 | 0 | 0 | 0 | 112 | F226 V237 M241 S242 L243 L244 Q248 H249 F252 F261 | F226-T246 HydrophobicContact CD1-CG2 4.31Å; F226-T246 HydrophobicContact CE1-CG2 4.31Å; V237-T246 HydrophobicContact CB-CG2 4.4Å; V237-T246 HydrophobicContact CG1-CG2 3.77Å; V237-T246 HydrophobicContact CG2-CG2 3.65Å; M241-T246 WeakPolarHBondContact CE-OG1 3.28Å; S242-T246 PolarHBondContact O-N 3.38Å; S242-T246 PolarHBondContact O-OG1 3.07Å; L243-T246 PolarHBondContact O-N 3.37Å; L244-T246 VanDerWaalsContact C-N 3.32Å; L244-T246 PolarHBondContact O-N 3.07Å; T246-Q248 VanDerWaalsContact C-N 3.31Å; T246-Q248 PolarHBondContact O-N 3.44Å; T246-H249 VanDerWaalsContact O-CB 3.26Å; T246-H249 WeakPolarHBondContact O-CB 3.47Å; T246-H249 PolarHBondContact O-N 2.78Å; T246-F252 HydrophobicContact CG2-CD2 4.39Å; T246-F261 HydrophobicContact CG2-CE1 3.7Å; T246-F261 HydrophobicContact CG2-CZ 4.16Å |
| 247 | L | 89 | Confident | 87 | Confident | 59 Ų | 59 | 84.2 Ų | 84.2 | 31% | 0.309 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.7 | -26 | 179.5 | -65.7 | 178.5 | 0 | 0 | 0 | 113.5 | L243 L244 H249 F252 V254 P259 F261 | L243-L247 HydrophobicContact CD1-CD1 4.34Å; L243-L247 HydrophobicContact CD1-CD2 4.46Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CD2-CD1 4.45Å; L243-L247 HydrophobicContact CG-CD1 3.93Å; L243-L247 HydrophobicContact CG-CG 4.2Å; L243-L247 VanDerWaalsContact O-CG 3.3Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 2.86Å; L244-L247 PolarHBondContact O-N 3.08Å; L247-H249 PolarHBondContact O-N 3.1Å; L247-F252 HydrophobicContact CD2-CD1 3.74Å; L247-F252 HydrophobicContact CD2-CE1 3.32Å; L247-F252 HydrophobicContact CD2-CZ 3.78Å; L247-V254 HydrophobicContact CD2-CG2 4.2Å; L247-P259 HydrophobicContact CD2-CB 3.58Å; L247-P259 HydrophobicContact CD2-CG 4.34Å; L247-F261 HydrophobicContact CD2-CZ 4.43Å |
| 248 | Q | 89.6 | Confident | 86.8 | Confident | 138 Ų | 138 | 88.5 Ų | 88.5 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -4.6 | 175.3 | -75.1 | 176.9 | -10.5 | 0 | 0 | 113.5 | L244 T246 K250 | L244-Q248 HydrophobicContact CD1-CG 4.46Å; L244-Q248 VanDerWaalsContact O-CG 3.3Å; L244-Q248 WeakPolarHBondContact O-CG 3.15Å; L244-Q248 PolarHBondContact O-N 3.38Å; L244-Q248 VanDerWaalsContact O-N 3.08Å; T246-Q248 VanDerWaalsContact C-N 3.31Å; T246-Q248 PolarHBondContact O-N 3.44Å; Q248-K250 PolarHBondContact O-N 3.49Å |
| 249 | H | 87.1 | Confident | 86.9 | Confident | 52 Ų | 52 | 86.7 Ų | 86.7 | 24% | 0.241 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -65.2 | 133 | 179 | -172 | -98.4 | 0 | 0 | 0 | 110.8 | F226 Y235 T246 L247 R251 F252 L283 | F226-H249 HydrophobicContact CZ-CB 4.44Å; F226-H249 AromaticContact CZ-ND1 3.53Å; Y235-H249 AromaticContact CE1-CE1 3.82Å; T246-H249 VanDerWaalsContact O-CB 3.26Å; T246-H249 WeakPolarHBondContact O-CB 3.47Å; T246-H249 PolarHBondContact O-N 2.78Å; L247-H249 PolarHBondContact O-N 3.1Å; H249-R251 PolarHBondContact ND1-N 3.41Å; H249-R251 PolarHBondContact O-N 3.13Å; H249-F252 HydrophobicContact CB-CB 4.18Å; H249-F252 PolarHBondContact O-N 3.21Å; H249-L283 HydrophobicContact CB-CD2 4.08Å; H249-L283 WeakPolarHBondContact CD2-CD2 3.36Å |
| 250 | K | 85.7 | Confident | 87.1 | Confident | 194 Ų | 194 | 88.1 Ų | 88.1 | 84% | 0.843 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18 | -173.9 | -65.4 | -175.5 | 179.6 | -179.1 | 0 | 114.9 | Q248 | Q248-K250 PolarHBondContact O-N 3.49Š|
| 251 | R | 85.5 | Confident | 87.3 | Confident | 77 Ų | 77 | 83.2 Ų | 83.2 | 29% | 0.291 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 1.8 | -179.1 | -58.4 | -63.6 | -171.6 | 168 | -13.2 | 113.4 | D228 E230 Y235 H249 | D228-R251 HydrophobicContact CB-CB 4.49Å; D228-R251 WeakPolarHBondContact OD2-CD 3.33Å; D228-R251 IonicContact OD2-NH1 3.83Å; E230-R251 IonicContact OE2-NH1 3.72Å; Y235-R251 HydrophobicContact CE2-CB 4.05Å; Y235-R251 HydrophobicContact CE2-CG 4.39Å; H249-R251 PolarHBondContact ND1-N 3.41Å; H249-R251 PolarHBondContact O-N 3.13Å |
| 252 | F | 85.8 | Confident | 87.5 | Confident | 18 Ų | 18 | 83.8 Ų | 83.8 | 8% | 0.079 | 46% | 0.456 | C | S | . | . | trans | -90.6 | 123.1 | 176.4 | -166.7 | -75.3 | 0 | 0 | 0 | 109.3 | F226 T246 L247 H249 V254 P259 F261 | F226-F252 HydrophobicContact CB-CD2 3.8Å; F226-F252 HydrophobicContact CB-CE2 3.5Å; F226-F252 AromaticContact CD1-CD2 3.56Å; F226-F252 HydrophobicContact CD1-CD2 3.56Å; F226-F252 AromaticContact CD1-CE2 3.94Å; F226-F252 HydrophobicContact CD1-CE2 3.94Å; F226-F252 HydrophobicContact CD2-CB 4.46Å; F226-F252 AromaticContact CD2-CD2 3.58Å; F226-F252 HydrophobicContact CD2-CD2 3.58Å; F226-F252 HydrophobicContact CD2-CE2 4.19Å; F226-F252 HydrophobicContact CD2-CG 4.38Å; F226-F252 AromaticContact CE1-CD2 3.93Å; F226-F252 HydrophobicContact CE1-CD2 3.93Å; F226-F252 HydrophobicContact CE2-CB 4.14Å; F226-F252 AromaticContact CE2-CD2 3.97Å; F226-F252 HydrophobicContact CE2-CD2 3.97Å; F226-F252 AromaticContact CG-CD2 3.37Å; F226-F252 HydrophobicContact CG-CD2 3.37Å; F226-F252 AromaticContact CG-CE2 3.64Å; F226-F252 HydrophobicContact CG-CE2 3.64Å; F226-F252 HydrophobicContact CZ-CB 4.33Å; F226-F252 HydrophobicContact CZ-CD2 4.13Å; T246-F252 HydrophobicContact CG2-CD2 4.39Å; L247-F252 HydrophobicContact CD2-CD1 3.74Å; L247-F252 HydrophobicContact CD2-CE1 3.32Å; L247-F252 HydrophobicContact CD2-CZ 3.78Å; H249-F252 HydrophobicContact CB-CB 4.18Å; H249-F252 PolarHBondContact O-N 3.21Å; F252-V254 HydrophobicContact CD1-CG2 4.24Å; F252-V254 HydrophobicContact CE1-CG2 4Å; F252-P259 HydrophobicContact CE1-CB 3.81Å; F252-P259 HydrophobicContact CZ-CB 3.82Å; F252-F261 HydrophobicContact CD2-CE1 4.43Å; F252-F261 HydrophobicContact CE2-CD1 4.13Å; F252-F261 AromaticContact CE2-CE1 3.42Å; F252-F261 HydrophobicContact CE2-CE1 3.42Å; F252-F261 VanDerWaalsContact CE2-CE1 3.42Å; F252-F261 HydrophobicContact CE2-CE2 4.5Å; F252-F261 AromaticContact CE2-CZ 3.65Å; F252-F261 HydrophobicContact CE2-CZ 3.65Å; F252-F261 AromaticContact CZ-CE1 3.91Å; F252-F261 HydrophobicContact CZ-CE1 3.91Å; F252-F261 HydrophobicContact CZ-CE2 4.16Å; F252-F261 AromaticContact CZ-CZ 3.66Å; F252-F261 HydrophobicContact CZ-CZ 3.66Å | ||
| 253 | F | 84.5 | Confident | 87.6 | Confident | 118 Ų | 118 | 84.7 Ų | 84.7 | 52% | 0.518 | 46% | 0.459 | S | S | . | . | trans | -114.9 | 126.6 | 177.6 | -67.9 | -80.8 | 0 | 0 | 0 | 111 | ||||
| 254 | V | 85.9 | Confident | 87.7 | Confident | 73 Ų | 73 | 80.9 Ų | 80.9 | 44% | 0.442 | 44% | 0.439 | S | S | . | . | trans | -86 | 117.8 | 175 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | L247 F252 P259 | L247-V254 HydrophobicContact CD2-CG2 4.2Å; F252-V254 HydrophobicContact CD1-CG2 4.24Å; F252-V254 HydrophobicContact CE1-CG2 4Å; V254-P259 HydrophobicContact CG2-CB 4.45Å | ||
| 255 | K | 82.1 | Confident | 87.8 | Confident | 109 Ų | 109 | 79.6 Ų | 79.6 | 47% | 0.474 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -94.2 | 127.1 | -179.3 | -72.7 | -173.2 | 159.4 | -165.2 | 0 | 111.1 | E229 G257 T258 | E229-K255 WeakPolarHBondContact OE1-CE 3.33Å; E229-K255 IonicContact OE1-NZ 2.55Å; E229-K255 PolarHBondContact OE1-NZ 2.82Å; E229-K255 WeakPolarHBondContact OE2-CE 3.27Å; E229-K255 IonicContact OE2-NZ 2.59Å; E229-K255 PolarHBondContact OE2-NZ 3.48Å; K255-G257 PolarHBondContact O-N 2.86Å; K255-T258 PolarHBondContact N-O 3.31Å; K255-T258 PolarHBondContact O-N 3.15Å; K255-T258 VanDerWaalsContact O-O 3.12Å |
| 256 | A | 83.6 | Confident | 87.7 | Confident | 110 Ų | 110 | 78.2 Ų | 78.2 | 91% | 0.909 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 35.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T258 | A256-T258 VanDerWaalsContact C-N 3.26Å; A256-T258 PolarHBondContact O-N 3Å |
| 257 | G | 86.4 | Confident | 87.6 | Confident | 67 Ų | 67 | 82.9 Ų | 82.9 | 69% | 0.691 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K255 | K255-G257 PolarHBondContact O-N 2.86Š|
| 258 | T | 86.9 | Confident | 87.8 | Confident | 95 Ų | 95 | 81.4 Ų | 81.4 | 58% | 0.583 | 45% | 0.449 | S | S | * | . | B | Isolated β-bridge | trans | -113.8 | 119.8 | -179 | -56.4 | 0 | 0 | 0 | 0 | 111 | K255 A256 | K255-T258 PolarHBondContact N-O 3.31Å; K255-T258 PolarHBondContact O-N 3.15Å; K255-T258 VanDerWaalsContact O-O 3.12Å; A256-T258 VanDerWaalsContact C-N 3.26Å; A256-T258 PolarHBondContact O-N 3Å |
| 259 | P | 89.8 | Confident | 87.8 | Confident | 46 Ų | 46 | 80 Ų | 80 | 30% | 0.299 | 45% | 0.452 | S | S | . | . | trans | -73.5 | 135.3 | 173.2 | 30.5 | -33.1 | 0 | 0 | 0 | 110.4 | L247 F252 V254 F261 | L247-P259 HydrophobicContact CD2-CB 3.58Å; L247-P259 HydrophobicContact CD2-CG 4.34Å; F252-P259 HydrophobicContact CE1-CB 3.81Å; F252-P259 HydrophobicContact CZ-CB 3.82Å; V254-P259 HydrophobicContact CG2-CB 4.45Å; P259-F261 HydrophobicContact CB-CE2 3.94Å; P259-F261 HydrophobicContact CG-CE2 4.4Å | ||
| 260 | S | 88.9 | Confident | 88 | Confident | 85 Ų | 85 | 83.5 Ų | 83.5 | 59% | 0.594 | 47% | 0.466 | S | S | * | . | trans | -107.1 | 134.8 | -179.9 | -170.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 261 | F | 91.1 | Very high | 88.1 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 26% | 0.263 | 43% | 0.427 | S | S | . | . | trans | -133.7 | 146.8 | 175.5 | -64.1 | -80.3 | 0 | 0 | 0 | 109.6 | L224 Y225 F226 L243 T246 L247 F252 P259 | L224-F261 HydrophobicContact CD2-CB 4.18Å; L224-F261 HydrophobicContact CD2-CD1 3.63Å; L224-F261 HydrophobicContact CD2-CE1 4.29Å; L224-F261 HydrophobicContact CD2-CG 4.04Å; Y225-F261 CarbonylContact O-C 3.57Å; Y225-F261 WeakPolarHBondContact O-CA 3.47Å; F226-F261 HydrophobicContact CB-CD1 4.35Å; L243-F261 HydrophobicContact CD1-CE2 3.67Å; L243-F261 HydrophobicContact CD1-CZ 3.58Å; T246-F261 HydrophobicContact CG2-CE1 3.7Å; T246-F261 HydrophobicContact CG2-CZ 4.16Å; L247-F261 HydrophobicContact CD2-CZ 4.43Å; F252-F261 HydrophobicContact CD2-CE1 4.43Å; F252-F261 HydrophobicContact CE2-CD1 4.13Å; F252-F261 AromaticContact CE2-CE1 3.42Å; F252-F261 HydrophobicContact CE2-CE1 3.42Å; F252-F261 VanDerWaalsContact CE2-CE1 3.42Å; F252-F261 HydrophobicContact CE2-CE2 4.5Å; F252-F261 AromaticContact CE2-CZ 3.65Å; F252-F261 HydrophobicContact CE2-CZ 3.65Å; F252-F261 AromaticContact CZ-CE1 3.91Å; F252-F261 HydrophobicContact CZ-CE1 3.91Å; F252-F261 HydrophobicContact CZ-CE2 4.16Å; F252-F261 AromaticContact CZ-CZ 3.66Å; F252-F261 HydrophobicContact CZ-CZ 3.66Å; P259-F261 HydrophobicContact CB-CE2 3.94Å; P259-F261 HydrophobicContact CG-CE2 4.4Å | ||
| 262 | M | 89.8 | Confident | 88.2 | Confident | 46 Ų | 46 | 76.9 Ų | 76.9 | 23% | 0.227 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129 | 172.2 | -69.4 | -174.4 | -74.4 | 0 | 0 | 109.8 | L224 Y225 E227 L234 F274 | L224-M262 CarbonylContact C-O 3.54Å; L224-M262 WeakPolarHBondContact CA-O 3.28Å; Y225-M262 PolarHBondContact N-O 2.92Å; Y225-M262 PolarHBondContact O-N 3.4Å; E227-M262 HydrophobicContact CB-CE 3.86Å; L234-M262 HydrophobicContact CD2-CE 3.28Å; M262-F274 HydrophobicContact SD-CE1 4.32Å; M262-F274 HydrophobicContact SD-CZ 4.08Å |
| 263 | V | 92.4 | Very high | 88.4 | Confident | 90 Ų | 90 | 81.7 Ų | 81.7 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119.4 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | I222 L224 | I222-V263 HydrophobicContact CB-CG1 4.21Å; I222-V263 HydrophobicContact CG2-CG1 4.29Å; L224-V263 HydrophobicContact CD1-CG2 3.93Å |
| 264 | L | 90.6 | Very high | 88.5 | Confident | 16 Ų | 16 | 78.4 Ų | 78.4 | 8% | 0.084 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.4 | 179.1 | -63.4 | 177.2 | 0 | 0 | 0 | 110.2 | I222 K223 Y225 K266 F270 C271 F274 L275 | I222-L264 CarbonylContact C-O 3.56Å; I222-L264 WeakPolarHBondContact CA-O 3.43Å; K223-L264 PolarHBondContact N-O 3.4Å; K223-L264 PolarHBondContact O-N 2.82Å; Y225-L264 HydrophobicContact CD2-CD1 3.94Å; Y225-L264 HydrophobicContact CD2-CG 4.31Å; Y225-L264 HydrophobicContact CE2-CB 4.25Å; Y225-L264 HydrophobicContact CE2-CD1 3.77Å; Y225-L264 HydrophobicContact CE2-CG 4.3Å; L264-K266 PolarHBondContact O-N 3.36Å; L264-F270 HydrophobicContact CD2-CD1 4.12Å; L264-F270 HydrophobicContact CD2-CE1 3.87Å; L264-C271 HydrophobicContact CB-CB 4.43Å; L264-F274 HydrophobicContact CD1-CD1 3.85Å; L264-F274 HydrophobicContact CD1-CE1 4.27Å; L264-L275 HydrophobicContact CD1-CD2 4.32Å |
| 265 | V | 91.8 | Very high | 88.5 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 54% | 0.539 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124 | 170.9 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | S268 C271 | V265-S268 WeakPolarHBondContact O-CB 3.37Å; V265-S268 PolarHBondContact O-N 3.42Å; V265-S268 PolarHBondContact O-OG 3.07Å; V265-C271 VanDerWaalsContact O-CB 3.28Å; V265-C271 WeakPolarHBondContact O-CB 3.04Å |
| 266 | K | 87.1 | Confident | 88.6 | Confident | 98 Ų | 98 | 75.5 Ų | 75.5 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 136.6 | 178.1 | -178.3 | 173.3 | 177.2 | -172.7 | 0 | 110 | G220 A221 K223 L264 S268 | G220-K266 WeakPolarHBondContact O-CD 3.47Å; A221-K266 VanDerWaalsContact O-CB 3.28Å; A221-K266 WeakPolarHBondContact O-CB 3.44Å; A221-K266 PolarHBondContact O-N 3.18Å; K223-K266 HydrophobicContact CG-CB 4.35Å; L264-K266 PolarHBondContact O-N 3.36Å; K266-S268 PolarHBondContact O-N 2.86Å |
| 267 | D | 87 | Confident | 88.5 | Confident | 100 Ų | 100 | 77 Ų | 77 | 54% | 0.535 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 6 | 178 | -53.9 | -37.9 | 0 | 0 | 0 | 116.7 | K272 | D267-K272 WeakPolarHBondContact O-CE 3.38Š|
| 268 | S | 92.3 | Very high | 88.3 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | trans | -63.9 | 150 | 173.1 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | V265 K266 F270 C271 K272 | V265-S268 WeakPolarHBondContact O-CB 3.37Å; V265-S268 PolarHBondContact O-N 3.42Å; V265-S268 PolarHBondContact O-OG 3.07Å; K266-S268 PolarHBondContact O-N 2.86Å; S268-F270 PolarHBondContact O-N 3.42Å; S268-C271 WeakPolarHBondContact O-CB 3.14Å; S268-C271 PolarHBondContact O-N 3.03Å; S268-C271 VanDerWaalsContact O-N 3.11Å; S268-C271 WeakPolarHBondContact OG-CB 3.34Å; S268-C271 PolarHBondContact OG-N 3.41Å; S268-K272 PolarHBondContact O-N 3.23Å; S268-K272 VanDerWaalsContact O-N 3.1Å | ||
| 269 | P | 90.1 | Very high | 88 | Confident | 110 Ų | 110 | 79.4 Ų | 79.4 | 71% | 0.714 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -56.3 | -42.2 | 179.9 | -21.5 | 30.7 | 0 | 0 | 0 | 111.9 | K272 Q273 | P269-K272 PolarHBondContact O-N 2.59Å; P269-Q273 PolarHBondContact O-N 2.89Å; P269-Q273 VanDerWaalsContact O-N 3.08Å |
| 270 | F | 90.4 | Very high | 87.6 | Confident | 124 Ų | 124 | 80.7 Ų | 80.7 | 54% | 0.544 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 176.1 | -179.6 | -98 | 0 | 0 | 0 | 112.1 | L264 S268 K272 Q273 F274 | L264-F270 HydrophobicContact CD2-CD1 4.12Å; L264-F270 HydrophobicContact CD2-CE1 3.87Å; S268-F270 PolarHBondContact O-N 3.42Å; F270-K272 VanDerWaalsContact C-N 3.31Å; F270-K272 PolarHBondContact O-N 2.7Å; F270-Q273 PolarHBondContact O-N 2.98Å; F270-F274 HydrophobicContact CE1-CB 4.2Å; F270-F274 HydrophobicContact CE1-CD2 4.48Å; F270-F274 HydrophobicContact CE1-CG 4.31Å; F270-F274 HydrophobicContact CZ-CB 4.33Å; F270-F274 HydrophobicContact CZ-CD2 4.12Å; F270-F274 HydrophobicContact CZ-CG 4.37Å; F270-F274 WeakPolarHBondContact O-CB 3.49Å; F270-F274 PolarHBondContact O-N 2.76Å |
| 271 | C | 87.3 | Confident | 87.1 | Confident | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.02 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59 | -42.4 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | L264 V265 S268 L275 | L264-C271 HydrophobicContact CB-CB 4.43Å; V265-C271 VanDerWaalsContact O-CB 3.28Å; V265-C271 WeakPolarHBondContact O-CB 3.04Å; S268-C271 WeakPolarHBondContact O-CB 3.14Å; S268-C271 PolarHBondContact O-N 3.03Å; S268-C271 VanDerWaalsContact O-N 3.11Å; S268-C271 WeakPolarHBondContact OG-CB 3.34Å; S268-C271 PolarHBondContact OG-N 3.41Å; C271-L275 WeakPolarHBondContact O-CB 3.08Å; C271-L275 WeakPolarHBondContact O-CG 3.45Å; C271-L275 PolarHBondContact O-N 3.46Å; C271-L275 VanDerWaalsContact SG-CD1 3.58Å |
| 272 | K | 87.9 | Confident | 86.3 | Confident | 129 Ų | 129 | 81.3 Ų | 81.3 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 178.2 | -67 | 176.9 | -176.1 | 173.6 | 0 | 112.3 | D267 S268 P269 F270 S276 | D267-K272 WeakPolarHBondContact O-CE 3.38Å; S268-K272 PolarHBondContact O-N 3.23Å; S268-K272 VanDerWaalsContact O-N 3.1Å; P269-K272 PolarHBondContact O-N 2.59Å; F270-K272 VanDerWaalsContact C-N 3.31Å; F270-K272 PolarHBondContact O-N 2.7Å; K272-S276 WeakPolarHBondContact O-CB 3.26Å; K272-S276 PolarHBondContact O-N 3.12Å; K272-S276 VanDerWaalsContact O-N 3.17Å |
| 273 | Q | 90.3 | Very high | 84.9 | Confident | 120 Ų | 120 | 83.7 Ų | 83.7 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.9 | -51.2 | 177.9 | -175.4 | 177.7 | -2.4 | 0 | 0 | 111.2 | P269 F270 L275 S276 | P269-Q273 PolarHBondContact O-N 2.89Å; P269-Q273 VanDerWaalsContact O-N 3.08Å; F270-Q273 PolarHBondContact O-N 2.98Å; Q273-L275 VanDerWaalsContact C-N 3.33Å; Q273-L275 PolarHBondContact O-N 3.41Å; Q273-S276 WeakPolarHBondContact O-CB 3.46Å; Q273-S276 PolarHBondContact O-N 3.37Å; Q273-S276 VanDerWaalsContact O-N 3.08Å; Q273-S276 PolarHBondContact O-OG 3.49Å |
| 274 | F | 86.9 | Confident | 84.6 | Confident | 49 Ų | 49 | 83.4 Ų | 83.4 | 22% | 0.215 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | -178.4 | -176.3 | -101.8 | 0 | 0 | 0 | 112.7 | L234 M262 L264 F270 S276 | L234-F274 HydrophobicContact CD1-CD1 4.36Å; L234-F274 HydrophobicContact CD1-CE1 3.71Å; L234-F274 HydrophobicContact CD1-CZ 4.48Å; M262-F274 HydrophobicContact SD-CE1 4.32Å; M262-F274 HydrophobicContact SD-CZ 4.08Å; L264-F274 HydrophobicContact CD1-CD1 3.85Å; L264-F274 HydrophobicContact CD1-CE1 4.27Å; F270-F274 HydrophobicContact CE1-CB 4.2Å; F270-F274 HydrophobicContact CE1-CD2 4.48Å; F270-F274 HydrophobicContact CE1-CG 4.31Å; F270-F274 HydrophobicContact CZ-CB 4.33Å; F270-F274 HydrophobicContact CZ-CD2 4.12Å; F270-F274 HydrophobicContact CZ-CG 4.37Å; F270-F274 WeakPolarHBondContact O-CB 3.49Å; F270-F274 PolarHBondContact O-N 2.76Å; F274-S276 VanDerWaalsContact C-N 3.33Å |
| 275 | L | 85.8 | Confident | 84.3 | Confident | 26 Ų | 26 | 86.9 Ų | 86.9 | 14% | 0.136 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -74.5 | -21.4 | 178.1 | -68.5 | -179.9 | 0 | 0 | 0 | 113.3 | Y225 L234 L264 C271 Q273 E277 K278 I280 | Y225-L275 HydrophobicContact CE1-CD2 4.33Å; Y225-L275 WeakPolarHBondContact OH-CD1 3.38Å; L234-L275 HydrophobicContact CD1-CD2 3.95Å; L264-L275 HydrophobicContact CD1-CD2 4.32Å; C271-L275 WeakPolarHBondContact O-CB 3.08Å; C271-L275 WeakPolarHBondContact O-CG 3.45Å; C271-L275 PolarHBondContact O-N 3.46Å; C271-L275 VanDerWaalsContact SG-CD1 3.58Å; Q273-L275 VanDerWaalsContact C-N 3.33Å; Q273-L275 PolarHBondContact O-N 3.41Å; L275-E277 VanDerWaalsContact C-N 3.26Å; L275-E277 PolarHBondContact O-N 3.44Å; L275-K278 PolarHBondContact O-N 2.9Å; L275-I280 HydrophobicContact CB-CD1 3.91Å; L275-I280 HydrophobicContact CD1-CD1 4.29Å; L275-I280 HydrophobicContact CD2-CD1 3.75Å; L275-I280 HydrophobicContact CD2-CG1 4.23Å; L275-I280 HydrophobicContact CG-CD1 4.17Å |
| 276 | S | 83.3 | Confident | 83.8 | Confident | 94 Ų | 94 | 86.8 Ų | 86.8 | 66% | 0.657 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -70.5 | -23.6 | 178.3 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | K272 Q273 F274 | K272-S276 WeakPolarHBondContact O-CB 3.26Å; K272-S276 PolarHBondContact O-N 3.12Å; K272-S276 VanDerWaalsContact O-N 3.17Å; Q273-S276 WeakPolarHBondContact O-CB 3.46Å; Q273-S276 PolarHBondContact O-N 3.37Å; Q273-S276 VanDerWaalsContact O-N 3.08Å; Q273-S276 PolarHBondContact O-OG 3.49Å; F274-S276 VanDerWaalsContact C-N 3.33Å |
| 277 | E | 81.9 | Confident | 83.6 | Confident | 142 Ų | 142 | 86.2 Ų | 86.2 | 66% | 0.664 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -7 | -177.9 | -64.3 | 174.4 | -171.7 | 0 | 0 | 112.8 | L275 | L275-E277 VanDerWaalsContact C-N 3.26Å; L275-E277 PolarHBondContact O-N 3.44Å |
| 278 | K | 82.3 | Confident | 83.4 | Confident | 56 Ų | 56 | 85.3 Ų | 85.3 | 24% | 0.243 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -124.6 | 149.8 | -170.1 | -67.6 | -76.6 | -176.7 | 164.9 | 0 | 112.6 | E227 L234 L275 | E227-K278 IonicContact OE1-NZ 3.48Å; E227-K278 PolarHBondContact OE1-NZ 2.96Å; L234-K278 HydrophobicContact CD1-CB 3.8Å; L234-K278 HydrophobicContact CD1-CG 4.03Å; L234-K278 HydrophobicContact CG-CB 4.1Å; L234-K278 HydrophobicContact CG-CG 4.39Å; L275-K278 PolarHBondContact O-N 2.9Å |
| 279 | K | 81.4 | Confident | 82.8 | Confident | 157 Ų | 157 | 89.1 Ų | 89.1 | 68% | 0.683 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.3 | 172.3 | -71 | 179 | -177.3 | 172.3 | 0 | 110.2 | T233 L234 | T233-K279 HydrophobicContact CG2-CB 3.86Å; L234-K279 PolarHBondContact N-O 3.38Å |
| 280 | I | 81.9 | Confident | 82.3 | Confident | 73 Ų | 73 | 87.6 Ų | 87.6 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.3 | -173 | -52.2 | 164.8 | 0 | 0 | 0 | 110.7 | Y225 L234 L275 | Y225-I280 HydrophobicContact CE1-CG2 4.32Å; L234-I280 CarbonylContact O-C 3.51Å; L234-I280 WeakPolarHBondContact O-CA 3.49Å; L275-I280 HydrophobicContact CB-CD1 3.91Å; L275-I280 HydrophobicContact CD1-CD1 4.29Å; L275-I280 HydrophobicContact CD2-CD1 3.75Å; L275-I280 HydrophobicContact CD2-CG1 4.23Å; L275-I280 HydrophobicContact CG-CD1 4.17Å |
| 281 | H | 78.1 | Confident | 81.7 | Confident | 91 Ų | 91 | 84.8 Ų | 84.8 | 42% | 0.421 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 141.8 | 171.5 | -66.2 | -61 | 0 | 0 | 0 | 110.4 | L234 Y235 Q236 | L234-H281 PolarHBondContact O-N 3.38Å; Y235-H281 CarbonylContact C-O 3.56Å; Y235-H281 VanDerWaalsContact CA-O 3.31Å; Y235-H281 WeakPolarHBondContact CA-O 3.34Å; Y235-H281 HydrophobicContact CD1-CB 3.72Å; Y235-H281 HydrophobicContact CE1-CB 3.57Å; Q236-H281 PolarHBondContact N-O 3.23Å |
| 282 | G | 74.4 | Confident | 81.2 | Confident | 66 Ų | 66 | 91.7 Ų | 91.7 | 68% | 0.68 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 143.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 283 | L | 60.6 | Low | 80.6 | Confident | 97 Ų | 97 | 88.3 Ų | 88.3 | 51% | 0.508 | 47% | 0.468 | S | S | . | . | trans | -93 | 0 | 164 | -86.6 | 100.9 | 0 | 0 | 0 | 112.6 | F226 Y235 Q236 M241 H249 | F226-L283 HydrophobicContact CE1-CD1 3.44Å; F226-L283 VanDerWaalsContact CE1-CD1 3.44Å; F226-L283 HydrophobicContact CE1-CD2 4.46Å; F226-L283 HydrophobicContact CZ-CD1 3.81Å; Y235-L283 HydrophobicContact CD1-CD1 3.79Å; Y235-L283 HydrophobicContact CG-CD1 4.11Å; Q236-L283 WeakPolarHBondContact O-CD1 3.42Å; Q236-L283 PolarHBondContact O-N 3.23Å; M241-L283 HydrophobicContact CE-CB 4.34Å; M241-L283 HydrophobicContact CE-CD2 4.26Å; H249-L283 HydrophobicContact CB-CD2 4.08Å; H249-L283 WeakPolarHBondContact CD2-CD2 3.36Å |
Retrieved 283 of 283 residues in 608.1 ms
(Link to these results)