| 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 | 41.2 | Very low | 31.5 | Very low | 246 Ų | 246 | 149.3 Ų | 149.3 | 100% | 1.212 | 82% | 0.821 | S | S | * | * | 0 | 146.3 | 0 | -83.4 | 171.6 | 119.6 | 0 | 0 | 108.5 | |||||
| 2 | S | 29.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | 83.9 | 91.5 | -171.2 | -162.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 3 | S | 31.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | 70.3 | 98.6 | 65.4 | -160.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 4 | T | 31.5 | Very low | 31.6 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -149.1 | 99.3 | 157 | -35.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 5 | K | 31 | Very low | 31.5 | Very low | 203 Ų | 203 | 140.5 Ų | 140.5 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -89.3 | 118.5 | 166.6 | -79.9 | -177.3 | 175.1 | -179.4 | 0 | 107.6 | ||||
| 6 | V | 32.4 | Very low | 31.5 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 67% | 0.667 | 79% | 0.785 | S | S | * | * | trans | -90.4 | 122.3 | 167.4 | 175.2 | 0 | 0 | 0 | 0 | 107.5 | Y8 | V6-Y8 HydrophobicContact CG1-CD2 3.93Å; V6-Y8 HydrophobicContact CG1-CE2 3.77Å | ||
| 7 | L | 29.1 | Very low | 31.7 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -92.5 | 112.5 | 176.1 | -149.7 | 87.2 | 0 | 0 | 0 | 107.9 | ||||
| 8 | Y | 29.6 | Very low | 31.9 | Very low | 214 Ų | 214 | 143.2 Ų | 143.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -92.1 | 117.6 | 167.4 | -87.6 | -87.3 | 0 | 0 | 0 | 108.9 | V6 | V6-Y8 HydrophobicContact CG1-CD2 3.93Å; V6-Y8 HydrophobicContact CG1-CE2 3.77Å | ||
| 9 | V | 30.1 | Very low | 32.4 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -84.2 | 110.2 | 170.2 | 174.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 10 | A | 31.7 | Very low | 33 | Very low | 89 Ų | 89 | 140.4 Ų | 140.4 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -85.3 | 113.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I12 | A10-I12 PolarHBondContact O-N 3.38Š| ||
| 11 | L | 28.9 | Very low | 34.2 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -76 | 106.9 | 170 | -129 | 104.6 | 0 | 0 | 0 | 108.2 | V13 | L11-V13 HydrophobicContact CD2-CG2 4.41Å; L11-V13 PolarHBondContact O-N 3.35Å | ||
| 12 | I | 31.7 | Very low | 35.5 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -82.3 | 104.6 | 169.6 | -62 | 178.9 | 0 | 0 | 0 | 107.4 | A10 V14 | A10-I12 PolarHBondContact O-N 3.38Å; I12-V14 HydrophobicContact CG2-CG2 3.96Å; I12-V14 PolarHBondContact O-N 2.91Å | ||
| 13 | V | 30.1 | Very low | 38 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 67% | 0.673 | 73% | 0.726 | S | S | * | * | trans | -81.2 | 102.8 | 166.7 | 177.4 | 0 | 0 | 0 | 0 | 107.5 | L11 C15 | L11-V13 HydrophobicContact CD2-CG2 4.41Å; L11-V13 PolarHBondContact O-N 3.35Å; V13-C15 PolarHBondContact O-N 3.15Å | ||
| 14 | V | 33.8 | Very low | 40.9 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 62% | 0.624 | 70% | 0.695 | S | S | * | * | trans | -77.2 | 98.8 | 167.5 | 178.6 | 0 | 0 | 0 | 0 | 107.4 | I12 F16 | I12-V14 HydrophobicContact CG2-CG2 3.96Å; I12-V14 PolarHBondContact O-N 2.91Å; V14-F16 HydrophobicContact CG1-CD2 3.96Å; V14-F16 HydrophobicContact CG1-CE2 3.98Å; V14-F16 PolarHBondContact O-N 3.22Å; V14-F16 VanDerWaalsContact O-N 3.13Å | ||
| 15 | C | 30 | Very low | 43.8 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | trans | -70.6 | 100.6 | 166.1 | -82.3 | 0 | 0 | 0 | 0 | 108.9 | V13 I17 | V13-C15 PolarHBondContact O-N 3.15Å; C15-I17 PolarHBondContact O-N 3.49Å; C15-I17 VanDerWaalsContact O-N 3.12Å | ||
| 16 | F | 31.8 | Very low | 46.9 | Very low | 180 Ų | 180 | 117.6 Ų | 117.6 | 79% | 0.789 | 66% | 0.656 | S | S | * | * | trans | -67.7 | 100.9 | 159.1 | -88.7 | -90.4 | 0 | 0 | 0 | 107.9 | V14 L18 | V14-F16 HydrophobicContact CG1-CD2 3.96Å; V14-F16 HydrophobicContact CG1-CE2 3.98Å; V14-F16 PolarHBondContact O-N 3.22Å; V14-F16 VanDerWaalsContact O-N 3.13Å; F16-L18 VanDerWaalsContact C-N 3.3Å; F16-L18 PolarHBondContact O-N 3.48Å | ||
| 17 | I | 35.6 | Very low | 49.9 | Very low | 142 Ų | 142 | 112.4 Ų | 112.4 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | trans | -70.5 | 96.6 | 162 | -60.6 | 176.1 | 0 | 0 | 0 | 105.7 | C15 T19 | C15-I17 PolarHBondContact O-N 3.49Å; C15-I17 VanDerWaalsContact O-N 3.12Å; I17-T19 VanDerWaalsContact C-N 3.35Å; I17-T19 HydrophobicContact CG2-CG2 4.37Å; I17-T19 PolarHBondContact O-N 2.9Å | ||
| 18 | L | 34.7 | Very low | 53 | Low | 148 Ų | 148 | 108 Ų | 108 | 78% | 0.775 | 60% | 0.602 | S | S | * | * | trans | -64.6 | 99.2 | 164 | -81.2 | 159.1 | 0 | 0 | 0 | 106.9 | F16 V20 | F16-L18 VanDerWaalsContact C-N 3.3Å; F16-L18 PolarHBondContact O-N 3.48Å; L18-V20 VanDerWaalsContact C-N 3.31Å; L18-V20 PolarHBondContact O-N 2.94Å | ||
| 19 | T | 41.2 | Very low | 56.1 | Low | 100 Ų | 100 | 100.5 Ų | 100.5 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | trans | -66.4 | 94.7 | 166.2 | 42.3 | 0 | 0 | 0 | 0 | 107.6 | I17 S21 | I17-T19 VanDerWaalsContact C-N 3.35Å; I17-T19 HydrophobicContact CG2-CG2 4.37Å; I17-T19 PolarHBondContact O-N 2.9Å; T19-S21 PolarHBondContact O-N 3.02Å | ||
| 20 | V | 45 | Very low | 59.3 | Low | 131 Ų | 131 | 95.2 Ų | 95.2 | 79% | 0.794 | 54% | 0.542 | S | S | * | . | trans | -68.2 | 99.4 | 171 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | L18 C22 | L18-V20 VanDerWaalsContact C-N 3.31Å; L18-V20 PolarHBondContact O-N 2.94Å; V20-C22 PolarHBondContact O-N 3.02Å | ||
| 21 | S | 58 | Low | 62.3 | Low | 101 Ų | 101 | 97.3 Ų | 97.3 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | trans | -59.7 | 119.9 | 171.3 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | T19 K23 | T19-S21 PolarHBondContact O-N 3.02Å; S21-K23 PolarHBondContact O-N 3.12Å; S21-K23 VanDerWaalsContact O-N 3.07Å | ||
| 22 | C | 69.3 | Low | 65.4 | Low | 64 Ų | 64 | 91.2 Ų | 91.2 | 43% | 0.432 | 50% | 0.504 | S | S | . | . | trans | -70.9 | 103.8 | -177.8 | -159.1 | 0 | 0 | 0 | 0 | 109.1 | V20 F24 | V20-C22 PolarHBondContact O-N 3.02Å; C22-F24 HydrophobicContact CB-CE2 4.43Å | ||
| 23 | K | 81.8 | Confident | 68.5 | Low | 147 Ų | 147 | 89.4 Ų | 89.4 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | trans | -89 | 123.1 | -179.8 | -169.2 | 179.4 | 179.9 | -176.7 | 0 | 110.7 | S21 D28 | S21-K23 PolarHBondContact O-N 3.12Å; S21-K23 VanDerWaalsContact O-N 3.07Å; K23-D28 IonicContact NZ-OD2 3.35Å | ||
| 24 | F | 91.8 | Very high | 71.7 | Confident | 23 Ų | 23 | 84.6 Ų | 84.6 | 10% | 0.101 | 46% | 0.462 | C | S | . | . | trans | -95.4 | 103 | 175.8 | -64.6 | -86.1 | 0 | 0 | 0 | 110.9 | C22 T26 L27 P410 T446 V448 | C22-F24 HydrophobicContact CB-CE2 4.43Å; F24-T26 PolarHBondContact O-N 3.24Å; F24-L27 HydrophobicContact CB-CB 4.46Å; F24-L27 HydrophobicContact CB-CD1 3.86Å; F24-L27 HydrophobicContact CB-CG 3.92Å; F24-L27 HydrophobicContact CG-CD1 4.4Å; F24-L27 PolarHBondContact O-N 2.76Å; F24-P410 HydrophobicContact CD1-CG 4.43Å; F24-P410 HydrophobicContact CD2-CB 4.01Å; F24-P410 HydrophobicContact CE1-CB 4.44Å; F24-P410 HydrophobicContact CE1-CG 4.37Å; F24-P410 HydrophobicContact CE2-CB 3.76Å; F24-P410 HydrophobicContact CE2-CG 4.47Å; F24-P410 HydrophobicContact CG-CB 4.46Å; F24-P410 HydrophobicContact CG-CG 4.5Å; F24-P410 HydrophobicContact CZ-CB 3.99Å; F24-P410 HydrophobicContact CZ-CG 4.39Å; F24-T446 HydrophobicContact CE2-CG2 4.48Å; F24-T446 HydrophobicContact CZ-CG2 3.81Å; F24-V448 HydrophobicContact CD2-CG1 3.84Å; F24-V448 HydrophobicContact CE2-CG1 4.05Å | ||
| 25 | S | 92.6 | Very high | 74.7 | Confident | 92 Ų | 92 | 82.6 Ų | 82.6 | 64% | 0.643 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -61.9 | -27 | 177 | 58 | 0 | 0 | 0 | 0 | 112.9 | L27 D28 | S25-L27 PolarHBondContact O-N 2.91Å; S25-L27 VanDerWaalsContact O-N 3.14Å; S25-D28 WeakPolarHBondContact O-CB 3.42Å; S25-D28 PolarHBondContact O-N 3.13Å; S25-D28 VanDerWaalsContact O-N 3.1Å |
| 26 | T | 95.2 | Very high | 78 | Confident | 40 Ų | 40 | 80 Ų | 80 | 25% | 0.245 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -62 | -14.6 | 173.3 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | F24 H29 G385 R386 | F24-T26 PolarHBondContact O-N 3.24Å; T26-H29 PolarHBondContact O-CE1 2.99Å; T26-H29 PolarHBondContact O-ND1 3.36Å; T26-H29 VanDerWaalsContact O-ND1 3.11Å; T26-G385 WeakPolarHBondContact CB-O 3.33Å; T26-G385 WeakPolarHBondContact OG1-CA 3.03Å; T26-G385 PolarHBondContact OG1-O 3Å; T26-R386 HydrophobicContact CG2-CG 4.3Å |
| 27 | L | 96.3 | Very high | 81.2 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -100.5 | -9.8 | 177.3 | -58.9 | 179.3 | 0 | 0 | 0 | 112.2 | F24 S25 H29 I30 R137 F138 I355 I388 P410 V448 | F24-L27 HydrophobicContact CB-CB 4.46Å; F24-L27 HydrophobicContact CB-CD1 3.86Å; F24-L27 HydrophobicContact CB-CG 3.92Å; F24-L27 HydrophobicContact CG-CD1 4.4Å; F24-L27 PolarHBondContact O-N 2.76Å; S25-L27 PolarHBondContact O-N 2.91Å; S25-L27 VanDerWaalsContact O-N 3.14Å; L27-H29 PolarHBondContact O-N 3.06Å; L27-H29 VanDerWaalsContact O-N 3.13Å; L27-I30 VanDerWaalsContact O-CB 3.24Å; L27-I30 WeakPolarHBondContact O-CB 3.29Å; L27-I30 WeakPolarHBondContact O-CG1 3.29Å; L27-I30 PolarHBondContact O-N 3.17Å; L27-R137 VanDerWaalsContact O-CZ 3.26Å; L27-R137 PolarHBondContact O-NH2 2.94Å; L27-F138 HydrophobicContact CD1-CE2 4.23Å; L27-I355 HydrophobicContact CD2-CD1 3.81Å; L27-I355 HydrophobicContact CD2-CG1 3.98Å; L27-I355 HydrophobicContact CD2-CG2 4.13Å; L27-I388 HydrophobicContact CD1-CD1 4.48Å; L27-I388 HydrophobicContact CD2-CD1 4.07Å; L27-I388 HydrophobicContact CD2-CG1 4.41Å; L27-P410 HydrophobicContact CD1-CB 4.48Å; L27-P410 HydrophobicContact CD1-CG 4.4Å; L27-V448 HydrophobicContact CD1-CG1 4.14Å |
| 28 | D | 93.8 | Very high | 84.2 | Confident | 64 Ų | 64 | 75.5 Ų | 75.5 | 34% | 0.342 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.9 | -171.4 | -73.7 | -13.7 | 0 | 0 | 0 | 114.4 | K23 S25 I30 R137 | K23-D28 IonicContact NZ-OD2 3.35Å; S25-D28 WeakPolarHBondContact O-CB 3.42Å; S25-D28 PolarHBondContact O-N 3.13Å; S25-D28 VanDerWaalsContact O-N 3.1Å; D28-I30 VanDerWaalsContact C-N 3.33Å; D28-R137 IonicContact OD1-CZ 3.72Å; D28-R137 IonicContact OD1-NH1 3.67Å; D28-R137 PolarHBondContact OD1-NH1 2.86Å; D28-R137 IonicContact OD1-NH2 3.27Å |
| 29 | H | 95.1 | Very high | 87.2 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 26% | 0.255 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -18.4 | 173.3 | 68.9 | -66.9 | 0 | 0 | 0 | 113.4 | T26 L27 K31 N353 | T26-H29 PolarHBondContact O-CE1 2.99Å; T26-H29 PolarHBondContact O-ND1 3.36Å; T26-H29 VanDerWaalsContact O-ND1 3.11Å; L27-H29 PolarHBondContact O-N 3.06Å; L27-H29 VanDerWaalsContact O-N 3.13Å; H29-K31 PolarHBondContact O-N 2.59Å; H29-K31 VanDerWaalsContact O-N 3.16Å; H29-N353 PolarHBondContact NE2-O 3.37Å |
| 30 | I | 96.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | trans | -75.3 | 103.1 | 177.5 | -54.6 | -57.8 | 0 | 0 | 0 | 109.1 | L27 D28 R137 F138 I248 H316 I317 I355 | L27-I30 VanDerWaalsContact O-CB 3.24Å; L27-I30 WeakPolarHBondContact O-CB 3.29Å; L27-I30 WeakPolarHBondContact O-CG1 3.29Å; L27-I30 PolarHBondContact O-N 3.17Å; D28-I30 VanDerWaalsContact C-N 3.33Å; I30-R137 PolarHBondContact O-NH2 3.26Å; I30-F138 HydrophobicContact CB-CZ 4.45Å; I30-F138 HydrophobicContact CG2-CE1 3.85Å; I30-F138 HydrophobicContact CG2-CZ 3.94Å; I30-I248 HydrophobicContact CG2-CD1 3.57Å; I30-I248 HydrophobicContact CG2-CG1 4.3Å; I30-I248 HydrophobicContact CG2-CG2 4.09Å; I30-H316 HydrophobicContact CD1-CB 3.75Å; I30-I317 HydrophobicContact CD1-CD1 4.23Å; I30-I317 HydrophobicContact CD1-CG1 3.92Å; I30-I317 HydrophobicContact CG1-CD1 4.32Å; I30-I317 HydrophobicContact CG2-CD1 3.83Å; I30-I355 HydrophobicContact CD1-CG1 4.13Å; I30-I355 HydrophobicContact CG1-CG1 4.29Å | ||
| 31 | K | 94.6 | Very high | 92.5 | Very high | 133 Ų | 133 | 65.6 Ų | 65.6 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | trans | -156.3 | 160.3 | -179.2 | 64.8 | -168.2 | 172.3 | -171.7 | 0 | 111.4 | H29 K33 | H29-K31 PolarHBondContact O-N 2.59Å; H29-K31 VanDerWaalsContact O-N 3.16Å; K31-K33 PolarHBondContact O-N 3.35Å | ||
| 32 | P | 95.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | trans | -55.6 | 131.4 | 175.7 | -25.5 | 34.3 | 0 | 0 | 0 | 112.9 | R64 T90 G246 | P32-R64 PolarHBondContact O-NH2 2.95Å; P32-R64 VanDerWaalsContact O-NH2 3.17Å; P32-T90 HydrophobicContact CG-CG2 3.74Å; P32-G246 WeakPolarHBondContact CG-O 3.23Å | ||
| 33 | K | 95.3 | Very high | 95.9 | Very high | 111 Ų | 111 | 58.4 Ų | 58.4 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | trans | -85.4 | -41.4 | 176.6 | -64 | -174.9 | 179.4 | -172.7 | 0 | 112.5 | K31 R64 T314 H316 | K31-K33 PolarHBondContact O-N 3.35Å; K33-R64 PolarHBondContact O-NH2 3.47Å; K33-T314 PolarHBondContact NZ-O 2.88Å; K33-H316 PolarHBondContact NZ-NE2 3.06Å | ||
| 34 | A | 97.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -56.9 | 134.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E38 Q39 R64 R243 | A34-E38 WeakPolarHBondContact CA-OE2 3.44Å; A34-E38 HydrophobicContact CB-CB 4.45Å; A34-E38 HydrophobicContact CB-CG 4.23Å; A34-E38 WeakPolarHBondContact CB-OE2 3.21Å; A34-Q39 HydrophobicContact CB-CG 4.07Å; A34-Q39 PolarHBondContact O-NE2 3.37Å; A34-R64 PolarHBondContact O-NH2 3.36Å; A34-R243 WeakPolarHBondContact CB-O 3.21Å |
| 35 | S | 98 | Very high | 97 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 43% | 0.434 | 28% | 0.281 | S | S | . | . | trans | -60.3 | 158.1 | -176.1 | 68.8 | 0 | 0 | 0 | 0 | 113.5 | K37 E38 Q39 | S35-K37 PolarHBondContact O-N 3.34Å; S35-E38 PolarHBondContact N-OE2 3.42Å; S35-E38 WeakPolarHBondContact O-CB 3.35Å; S35-E38 PolarHBondContact O-N 3.37Å; S35-E38 WeakPolarHBondContact OG-CB 3.23Å; S35-E38 PolarHBondContact OG-N 2.98Å; S35-Q39 PolarHBondContact O-N 3.14Å | ||
| 36 | D | 98.3 | Very high | 97.3 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.8 | -39 | 178.5 | -68.1 | 18.8 | 0 | 0 | 0 | 111.9 | Q39 A40 V62 R64 | D36-Q39 PolarHBondContact O-N 2.92Å; D36-A40 WeakPolarHBondContact O-CB 3.41Å; D36-A40 PolarHBondContact O-N 3.45Å; D36-V62 HydrophobicContact CB-CB 4.14Å; D36-V62 HydrophobicContact CB-CG1 4.11Å; D36-R64 WeakPolarHBondContact OD1-CD 3.29Å; D36-R64 WeakPolarHBondContact OD1-CG 3.34Å; D36-R64 IonicContact OD1-CZ 3.95Å; D36-R64 IonicContact OD1-NE 3.95Å; D36-R64 PolarHBondContact OD1-NE 2.95Å; D36-R64 PolarHBondContact OD2-N 3Å; D36-R64 VanDerWaalsContact OD2-N 3.14Å |
| 37 | K | 98.4 | Very high | 97.5 | Very high | 156 Ų | 156 | 47.5 Ų | 47.5 | 68% | 0.678 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.1 | -38.2 | 176.6 | -174.4 | 176.9 | -178.4 | 178 | 0 | 112.6 | S35 R41 | S35-K37 PolarHBondContact O-N 3.34Å; K37-R41 WeakPolarHBondContact O-CB 3.4Å; K37-R41 PolarHBondContact O-N 3.34Å |
| 38 | E | 98.6 | Very high | 97.6 | Very high | 71 Ų | 71 | 55.8 Ų | 55.8 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.2 | -45.5 | 177.7 | -175.5 | -178.5 | 174.8 | 0 | 0 | 111.1 | A34 S35 A40 R41 A42 | A34-E38 WeakPolarHBondContact CA-OE2 3.44Å; A34-E38 HydrophobicContact CB-CB 4.45Å; A34-E38 HydrophobicContact CB-CG 4.23Å; A34-E38 WeakPolarHBondContact CB-OE2 3.21Å; S35-E38 PolarHBondContact N-OE2 3.42Å; S35-E38 WeakPolarHBondContact O-CB 3.35Å; S35-E38 PolarHBondContact O-N 3.37Å; S35-E38 WeakPolarHBondContact OG-CB 3.23Å; S35-E38 PolarHBondContact OG-N 2.98Å; E38-A40 PolarHBondContact O-N 3.47Å; E38-R41 WeakPolarHBondContact O-CB 3.46Å; E38-R41 PolarHBondContact O-N 3.1Å; E38-R41 VanDerWaalsContact O-N 3.13Å; E38-A42 PolarHBondContact O-N 3.12Å |
| 39 | Q | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 174.9 | -66.8 | -178.2 | 57.7 | 0 | 0 | 112.4 | A34 S35 D36 R41 A42 V43 V62 A244 | A34-Q39 HydrophobicContact CB-CG 4.07Å; A34-Q39 PolarHBondContact O-NE2 3.37Å; S35-Q39 PolarHBondContact O-N 3.14Å; D36-Q39 PolarHBondContact O-N 2.92Å; Q39-R41 VanDerWaalsContact C-N 3.27Å; Q39-R41 PolarHBondContact O-N 3.35Å; Q39-A42 WeakPolarHBondContact O-CB 3.35Å; Q39-A42 PolarHBondContact O-N 3.49Å; Q39-V43 WeakPolarHBondContact O-CG2 3.29Å; Q39-V43 PolarHBondContact O-N 3.47Å; Q39-V43 VanDerWaalsContact O-N 3.07Å; Q39-V62 HydrophobicContact CB-CB 4.4Å; Q39-V62 HydrophobicContact CB-CG1 4.39Å; Q39-V62 HydrophobicContact CB-CG2 3.87Å; Q39-A244 WeakPolarHBondContact CA-O 3.29Å; Q39-A244 WeakPolarHBondContact CG-O 3.44Å |
| 40 | A | 98.8 | Very high | 97.9 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D36 E38 S44 V62 | D36-A40 WeakPolarHBondContact O-CB 3.41Å; D36-A40 PolarHBondContact O-N 3.45Å; E38-A40 PolarHBondContact O-N 3.47Å; A40-S44 WeakPolarHBondContact O-CB 3.43Å; A40-S44 PolarHBondContact O-N 2.95Å; A40-S44 PolarHBondContact O-OG 2.96Å; A40-V62 HydrophobicContact CB-CG2 4.16Å |
| 41 | R | 98.8 | Very high | 98 | Very high | 157 Ų | 157 | 57 Ų | 57 | 59% | 0.592 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.8 | -41.4 | 175.4 | -171.7 | -170.6 | -63 | 137.4 | -4.4 | 111.7 | K37 E38 Q39 V43 S44 G45 | K37-R41 WeakPolarHBondContact O-CB 3.4Å; K37-R41 PolarHBondContact O-N 3.34Å; E38-R41 WeakPolarHBondContact O-CB 3.46Å; E38-R41 PolarHBondContact O-N 3.1Å; E38-R41 VanDerWaalsContact O-N 3.13Å; Q39-R41 VanDerWaalsContact C-N 3.27Å; Q39-R41 PolarHBondContact O-N 3.35Å; R41-V43 VanDerWaalsContact C-N 3.34Å; R41-V43 PolarHBondContact O-N 2.91Å; R41-S44 WeakPolarHBondContact O-CB 3.5Å; R41-S44 PolarHBondContact O-N 2.75Å; R41-G45 PolarHBondContact O-N 2.77Å |
| 42 | A | 98.8 | Very high | 98.1 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 12% | 0.116 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E38 Q39 G45 L46 A244 F245 | E38-A42 PolarHBondContact O-N 3.12Å; Q39-A42 WeakPolarHBondContact O-CB 3.35Å; Q39-A42 PolarHBondContact O-N 3.49Å; A42-G45 PolarHBondContact O-N 3.47Å; A42-L46 PolarHBondContact O-N 3.36Å; A42-A244 HydrophobicContact CB-CB 4.02Å; A42-A244 WeakPolarHBondContact CB-O 3.08Å; A42-F245 HydrophobicContact CB-CD1 3.77Å; A42-F245 HydrophobicContact CB-CE1 3.87Å; A42-F245 HydrophobicContact CB-CG 4.28Å; A42-F245 HydrophobicContact CB-CZ 4.48Å |
| 43 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | Q39 R41 G45 L46 L47 G91 L94 A95 I98 F245 | Q39-V43 WeakPolarHBondContact O-CG2 3.29Å; Q39-V43 PolarHBondContact O-N 3.47Å; Q39-V43 VanDerWaalsContact O-N 3.07Å; R41-V43 VanDerWaalsContact C-N 3.34Å; R41-V43 PolarHBondContact O-N 2.91Å; V43-G45 PolarHBondContact O-N 2.94Å; V43-L46 WeakPolarHBondContact O-CB 3.33Å; V43-L46 PolarHBondContact O-N 2.93Å; V43-L46 VanDerWaalsContact O-N 3.16Å; V43-L47 HydrophobicContact CG1-CD1 4.43Å; V43-L47 HydrophobicContact CG1-CG 4.35Å; V43-L47 WeakPolarHBondContact O-CG 3.44Å; V43-L47 PolarHBondContact O-N 3.04Å; V43-G91 WeakPolarHBondContact CG2-O 3.34Å; V43-L94 HydrophobicContact CB-CD2 3.8Å; V43-L94 HydrophobicContact CB-CG 4.38Å; V43-L94 HydrophobicContact CG1-CD2 3.85Å; V43-L94 HydrophobicContact CG1-CG 3.95Å; V43-L94 HydrophobicContact CG2-CB 4.35Å; V43-L94 HydrophobicContact CG2-CD2 3.85Å; V43-L94 HydrophobicContact CG2-CG 4.26Å; V43-A95 HydrophobicContact CG1-CB 4.43Å; V43-A95 HydrophobicContact CG2-CB 4.33Å; V43-I98 HydrophobicContact CG1-CD1 4.3Å; V43-F245 HydrophobicContact CG2-CD1 4.16Å; V43-F245 HydrophobicContact CG2-CE1 4.28Å |
| 44 | S | 98.8 | Very high | 98.1 | Very high | 47 Ų | 47 | 55.9 Ų | 55.9 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.6 | -38.8 | 173.5 | -58.9 | 0 | 0 | 0 | 0 | 112 | A40 R41 R48 V60 | A40-S44 WeakPolarHBondContact O-CB 3.43Å; A40-S44 PolarHBondContact O-N 2.95Å; A40-S44 PolarHBondContact O-OG 2.96Å; R41-S44 WeakPolarHBondContact O-CB 3.5Å; R41-S44 PolarHBondContact O-N 2.75Å; S44-R48 PolarHBondContact O-N 3.37Å; S44-R48 VanDerWaalsContact O-N 3.11Å; S44-V60 VanDerWaalsContact OG-CG2 3.25Å; S44-V60 WeakPolarHBondContact OG-CG2 3.39Å |
| 45 | G | 98.7 | Very high | 98.1 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R41 A42 V43 R48 R49 | R41-G45 PolarHBondContact O-N 2.77Å; A42-G45 PolarHBondContact O-N 3.47Å; V43-G45 PolarHBondContact O-N 2.94Å; G45-R48 PolarHBondContact O-N 3.11Å; G45-R49 PolarHBondContact O-N 3.22Å |
| 46 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 173.4 | 179.2 | 157.8 | 0 | 0 | 0 | 111.2 | A42 V43 R48 R49 L50 A95 D164 A167 L168 F245 | A42-L46 PolarHBondContact O-N 3.36Å; V43-L46 WeakPolarHBondContact O-CB 3.33Å; V43-L46 PolarHBondContact O-N 2.93Å; V43-L46 VanDerWaalsContact O-N 3.16Å; L46-R48 PolarHBondContact O-N 3.36Å; L46-R49 PolarHBondContact O-N 2.65Å; L46-R49 VanDerWaalsContact O-N 3.09Å; L46-L50 HydrophobicContact CD2-CD2 4.47Å; L46-L50 WeakPolarHBondContact O-CB 3.36Å; L46-L50 PolarHBondContact O-N 3.49Å; L46-A95 HydrophobicContact CD1-CB 4.43Å; L46-D164 HydrophobicContact CD1-CB 3.94Å; L46-D164 HydrophobicContact CG-CB 4.15Å; L46-A167 HydrophobicContact CD1-CB 3.91Å; L46-L168 HydrophobicContact CD1-CG 4.37Å; L46-L168 HydrophobicContact CD2-CD2 3.99Å; L46-L168 HydrophobicContact CD2-CG 4.33Å; L46-F245 HydrophobicContact CB-CE1 4.01Å; L46-F245 HydrophobicContact CB-CZ 3.95Å; L46-F245 HydrophobicContact CD1-CE1 3.79Å; L46-F245 HydrophobicContact CD1-CZ 3.73Å; L46-F245 HydrophobicContact CG-CZ 4.44Å |
| 47 | L | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -33.8 | 179.8 | -64.8 | 177.9 | 0 | 0 | 0 | 112 | V43 L50 L51 F58 V60 I98 | V43-L47 HydrophobicContact CG1-CD1 4.43Å; V43-L47 HydrophobicContact CG1-CG 4.35Å; V43-L47 WeakPolarHBondContact O-CG 3.44Å; V43-L47 PolarHBondContact O-N 3.04Å; L47-L50 PolarHBondContact O-N 3.37Å; L47-L51 HydrophobicContact CD2-CD1 4.43Å; L47-L51 WeakPolarHBondContact O-CA 3.09Å; L47-L51 WeakPolarHBondContact O-CB 3.2Å; L47-L51 PolarHBondContact O-N 3.46Å; L47-F58 HydrophobicContact CD1-CB 3.94Å; L47-F58 HydrophobicContact CD1-CG 4.3Å; L47-V60 HydrophobicContact CD1-CG1 3.82Å; L47-I98 HydrophobicContact CD1-CD1 3.95Å; L47-I98 HydrophobicContact CD2-CD1 4.4Å; L47-I98 HydrophobicContact CD2-CG2 3.86Å |
| 48 | R | 98.6 | Very high | 97.9 | Very high | 174 Ų | 174 | 50.9 Ų | 50.9 | 66% | 0.657 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67 | -42.3 | 174.8 | -172.3 | -179.8 | -59.7 | 178.4 | 1.5 | 111.9 | S44 G45 L46 L50 G52 | S44-R48 PolarHBondContact O-N 3.37Å; S44-R48 VanDerWaalsContact O-N 3.11Å; G45-R48 PolarHBondContact O-N 3.11Å; L46-R48 PolarHBondContact O-N 3.36Å; R48-L50 VanDerWaalsContact C-N 3.31Å; R48-G52 VanDerWaalsContact O-CA 3.23Å; R48-G52 WeakPolarHBondContact O-CA 3.34Å; R48-G52 PolarHBondContact O-N 2.94Å |
| 49 | R | 98.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 174.7 | -72.5 | -172.6 | -64.3 | -84.3 | -6.1 | 111.8 | G45 L46 E160 D164 R241 | G45-R49 PolarHBondContact O-N 3.22Å; L46-R49 PolarHBondContact O-N 2.65Å; L46-R49 VanDerWaalsContact O-N 3.09Å; R49-E160 IonicContact CZ-OE1 3.1Å; R49-E160 IonicContact NE-OE1 3.27Å; R49-E160 IonicContact NH1-OE1 3.67Å; R49-E160 PolarHBondContact NH1-OE1 2.6Å; R49-D164 IonicContact CZ-OD1 3.46Å; R49-D164 IonicContact CZ-OD2 3.34Å; R49-D164 VanDerWaalsContact CZ-OD2 3.3Å; R49-D164 IonicContact NE-OD1 3.52Å; R49-D164 IonicContact NE-OD2 2.92Å; R49-D164 PolarHBondContact NE-OD2 3.07Å; R49-D164 VanDerWaalsContact NH2-CG 3.29Å; R49-D164 IonicContact NH2-OD1 2.81Å; R49-D164 PolarHBondContact NH2-OD1 3.32Å; R49-D164 IonicContact NH2-OD2 3.13Å; R49-D164 PolarHBondContact NH2-OD2 3.06Å; R49-R241 VanDerWaalsContact CZ-NH1 3.27Å |
| 50 | L | 97.7 | Very high | 97.9 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -80.3 | -46.5 | -176.8 | -169.2 | 69.6 | 0 | 0 | 0 | 113.3 | L46 L47 R48 L102 V110 L117 L168 | L46-L50 HydrophobicContact CD2-CD2 4.47Å; L46-L50 WeakPolarHBondContact O-CB 3.36Å; L46-L50 PolarHBondContact O-N 3.49Å; L47-L50 PolarHBondContact O-N 3.37Å; R48-L50 VanDerWaalsContact C-N 3.31Å; L50-L102 HydrophobicContact CD2-CD1 4.16Å; L50-V110 HydrophobicContact CD1-CG2 3.84Å; L50-V110 HydrophobicContact CD2-CG2 4.47Å; L50-L117 HydrophobicContact CD1-CD1 3.58Å; L50-L117 HydrophobicContact CD1-CD2 4.09Å; L50-L117 HydrophobicContact CD1-CG 4.5Å; L50-L117 HydrophobicContact CD2-CD2 4.36Å; L50-L117 HydrophobicContact CG-CD1 4Å; L50-L117 HydrophobicContact CG-CD2 4.07Å; L50-L168 HydrophobicContact CD2-CD1 4.25Å; L50-L168 HydrophobicContact CD2-CD2 4.26Å |
| 51 | L | 97.6 | Very high | 97.9 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -117 | -0.8 | -167.9 | -55.8 | 179.8 | 0 | 0 | 0 | 113.8 | L47 N53 R54 F58 L102 L117 V119 | L47-L51 HydrophobicContact CD2-CD1 4.43Å; L47-L51 WeakPolarHBondContact O-CA 3.09Å; L47-L51 WeakPolarHBondContact O-CB 3.2Å; L47-L51 PolarHBondContact O-N 3.46Å; L51-N53 PolarHBondContact O-N 3.45Å; L51-R54 HydrophobicContact CB-CB 4.26Å; L51-R54 WeakPolarHBondContact O-CB 3.39Å; L51-R54 PolarHBondContact O-N 3.21Å; L51-F58 HydrophobicContact CD1-CD2 4.19Å; L51-F58 HydrophobicContact CD1-CE2 3.6Å; L51-F58 HydrophobicContact CD1-CZ 4.33Å; L51-L102 HydrophobicContact CD1-CD1 4.49Å; L51-L117 HydrophobicContact CD2-CD2 4.12Å; L51-V119 HydrophobicContact CD2-CG2 3.88Å |
| 52 | G | 97.2 | Very high | 97.8 | Very high | 33 Ų | 33 | 47 Ų | 47 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | 57.8 | -130.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R48 R54 S55 | R48-G52 VanDerWaalsContact O-CA 3.23Å; R48-G52 WeakPolarHBondContact O-CA 3.34Å; R48-G52 PolarHBondContact O-N 2.94Å; G52-R54 PolarHBondContact O-N 2.79Å; G52-S55 VanDerWaalsContact O-CB 3.3Å; G52-S55 WeakPolarHBondContact O-CB 3.34Å; G52-S55 PolarHBondContact O-N 3.36Å; G52-S55 PolarHBondContact O-OG 3.27Å |
| 53 | N | 95.2 | Very high | 97.8 | Very high | 151 Ų | 151 | 49.7 Ų | 49.7 | 81% | 0.807 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -63.4 | -25.9 | -178.3 | -69.2 | -17.4 | 0 | 0 | 0 | 113.4 | L51 S55 T56 | L51-N53 PolarHBondContact O-N 3.45Å; N53-S55 PolarHBondContact O-N 2.94Å; N53-T56 PolarHBondContact O-N 3.09Å; N53-T56 PolarHBondContact O-OG1 3.39Å |
| 54 | R | 95.5 | Very high | 97.6 | Very high | 61 Ų | 61 | 54.2 Ų | 54.2 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -69.6 | -14 | 179.4 | -59.6 | -158.7 | 63.9 | -172.4 | -8.7 | 113.5 | L51 G52 T56 E57 V119 P120 | L51-R54 HydrophobicContact CB-CB 4.26Å; L51-R54 WeakPolarHBondContact O-CB 3.39Å; L51-R54 PolarHBondContact O-N 3.21Å; G52-R54 PolarHBondContact O-N 2.79Å; R54-T56 PolarHBondContact O-N 3.39Å; R54-E57 WeakPolarHBondContact CA-OE1 3.42Å; R54-E57 VanDerWaalsContact CB-OE1 3.29Å; R54-E57 WeakPolarHBondContact CB-OE1 3.3Å; R54-E57 WeakPolarHBondContact CG-OE1 3.41Å; R54-E57 IonicContact CZ-OE1 2.71Å; R54-E57 IonicContact CZ-OE2 3.99Å; R54-E57 IonicContact NE-OE1 3.13Å; R54-E57 PolarHBondContact NE-OE1 3.35Å; R54-E57 IonicContact NE-OE2 3.38Å; R54-E57 IonicContact NH2-OE1 2.85Å; R54-E57 IonicContact NH2-OE2 2.66Å; R54-E57 PolarHBondContact NH2-OE2 2.94Å; R54-E57 VanDerWaalsContact O-CB 3.31Å; R54-E57 WeakPolarHBondContact O-CB 3.4Å; R54-E57 PolarHBondContact O-N 3.46Å; R54-V119 VanDerWaalsContact NH1-C 3.33Å; R54-V119 VanDerWaalsContact NH1-CB 3.34Å; R54-V119 PolarHBondContact NH1-O 2.95Å; R54-P120 PolarHBondContact NH2-O 3.31Å |
| 55 | S | 97.2 | Very high | 97.3 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 12% | 0.119 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -53.4 | -26.8 | 169.2 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | G52 N53 E57 F58 | G52-S55 VanDerWaalsContact O-CB 3.3Å; G52-S55 WeakPolarHBondContact O-CB 3.34Å; G52-S55 PolarHBondContact O-N 3.36Å; G52-S55 PolarHBondContact O-OG 3.27Å; N53-S55 PolarHBondContact O-N 2.94Å; S55-E57 PolarHBondContact O-N 3.01Å; S55-F58 PolarHBondContact O-N 3.47Å; S55-F58 VanDerWaalsContact O-N 3.16Å |
| 56 | T | 96.1 | Very high | 97 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 56% | 0.564 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -72.8 | -9.2 | 178.4 | 64.1 | 0 | 0 | 0 | 0 | 114.6 | N53 R54 K83 | N53-T56 PolarHBondContact O-N 3.09Å; N53-T56 PolarHBondContact O-OG1 3.39Å; R54-T56 PolarHBondContact O-N 3.39Å; T56-K83 WeakPolarHBondContact O-CE 3.48Å; T56-K83 PolarHBondContact O-NZ 2.89Å |
| 57 | E | 97 | Very high | 96.5 | Very high | 47 Ų | 47 | 57.8 Ų | 57.8 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -79.2 | -9 | 171.7 | -61.3 | 167.6 | -126.4 | 0 | 0 | 111.9 | R54 S55 K83 I84 L123 | R54-E57 WeakPolarHBondContact CA-OE1 3.42Å; R54-E57 VanDerWaalsContact CB-OE1 3.29Å; R54-E57 WeakPolarHBondContact CB-OE1 3.3Å; R54-E57 WeakPolarHBondContact CG-OE1 3.41Å; R54-E57 IonicContact CZ-OE1 2.71Å; R54-E57 IonicContact CZ-OE2 3.99Å; R54-E57 IonicContact NE-OE1 3.13Å; R54-E57 PolarHBondContact NE-OE1 3.35Å; R54-E57 IonicContact NE-OE2 3.38Å; R54-E57 IonicContact NH2-OE1 2.85Å; R54-E57 IonicContact NH2-OE2 2.66Å; R54-E57 PolarHBondContact NH2-OE2 2.94Å; R54-E57 VanDerWaalsContact O-CB 3.31Å; R54-E57 WeakPolarHBondContact O-CB 3.4Å; R54-E57 PolarHBondContact O-N 3.46Å; S55-E57 PolarHBondContact O-N 3.01Å; E57-K83 CarbonylContact O-C 3.55Å; E57-K83 VanDerWaalsContact O-CA 3.27Å; E57-K83 WeakPolarHBondContact O-CA 3.29Å; E57-K83 VanDerWaalsContact O-CB 3.24Å; E57-K83 WeakPolarHBondContact O-CB 3.48Å; E57-I84 PolarHBondContact O-N 2.89Å; E57-L123 HydrophobicContact CB-CD1 3.61Å; E57-L123 HydrophobicContact CB-CG 4.4Å; E57-L123 WeakPolarHBondContact OE2-CG 3.2Å |
| 58 | F | 98.2 | Very high | 95.4 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.5 | 174.2 | -62.7 | -92.6 | 0 | 0 | 0 | 110.8 | L47 L51 S55 V60 I84 I98 Y101 L102 L123 | L47-F58 HydrophobicContact CD1-CB 3.94Å; L47-F58 HydrophobicContact CD1-CG 4.3Å; L51-F58 HydrophobicContact CD1-CD2 4.19Å; L51-F58 HydrophobicContact CD1-CE2 3.6Å; L51-F58 HydrophobicContact CD1-CZ 4.33Å; S55-F58 PolarHBondContact O-N 3.47Å; S55-F58 VanDerWaalsContact O-N 3.16Å; F58-V60 HydrophobicContact CB-CG1 4.11Å; F58-I84 CarbonylContact C-O 3.54Å; F58-I84 WeakPolarHBondContact CA-O 3.36Å; F58-I84 HydrophobicContact CD1-CB 3.9Å; F58-I84 HydrophobicContact CD1-CG2 4.14Å; F58-I84 HydrophobicContact CE1-CB 4.05Å; F58-I84 HydrophobicContact CE1-CG1 4.36Å; F58-I84 HydrophobicContact CE1-CG2 4.27Å; F58-I98 HydrophobicContact CD1-CG1 4.5Å; F58-I98 HydrophobicContact CD1-CG2 4.08Å; F58-I98 HydrophobicContact CE1-CG2 3.86Å; F58-I98 HydrophobicContact CZ-CG2 4.4Å; F58-Y101 AromaticContact CE1-CD1 3.99Å; F58-Y101 HydrophobicContact CE1-CD1 3.99Å; F58-Y101 HydrophobicContact CE1-CE1 4.08Å; F58-Y101 HydrophobicContact CZ-CD1 4.31Å; F58-Y101 HydrophobicContact CZ-CE1 4.18Å; F58-L102 HydrophobicContact CZ-CD2 4.08Å; F58-L123 HydrophobicContact CE1-CD1 4.49Å; F58-L123 HydrophobicContact CE2-CD1 4.11Å; F58-L123 HydrophobicContact CZ-CD1 4.01Å; F58-L123 HydrophobicContact CZ-CD2 4.47Å |
| 59 | I | 98.1 | Very high | 94.3 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 107 | 171.2 | -59.2 | 168.3 | 0 | 0 | 0 | 106.9 | K83 I84 V85 A86 | I59-K83 HydrophobicContact CD1-CB 4.21Å; I59-K83 HydrophobicContact CD1-CD 3.99Å; I59-K83 HydrophobicContact CG1-CB 4.46Å; I59-K83 HydrophobicContact CG1-CD 4.07Å; I59-I84 PolarHBondContact N-O 3.03Å; I59-V85 HydrophobicContact CB-CG2 4.19Å; I59-V85 HydrophobicContact CD1-CG2 4.12Å; I59-V85 CarbonylContact O-C 3.59Å; I59-V85 WeakPolarHBondContact O-CA 3.49Å; I59-A86 PolarHBondContact O-N 2.92Å |
| 60 | V | 98.4 | Very high | 93.4 | Very high | 27 Ų | 27 | 58.9 Ų | 58.9 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 144.6 | -171.2 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | S44 L47 F58 A86 L94 I98 | S44-V60 VanDerWaalsContact OG-CG2 3.25Å; S44-V60 WeakPolarHBondContact OG-CG2 3.39Å; L47-V60 HydrophobicContact CD1-CG1 3.82Å; F58-V60 HydrophobicContact CB-CG1 4.11Å; V60-A86 CarbonylContact C-O 3.6Å; V60-A86 WeakPolarHBondContact CA-O 3.36Å; V60-L94 HydrophobicContact CB-CD1 4.23Å; V60-L94 HydrophobicContact CB-CD2 3.83Å; V60-L94 HydrophobicContact CB-CG 4.47Å; V60-L94 HydrophobicContact CG1-CD1 4.42Å; V60-L94 HydrophobicContact CG2-CD2 4.4Å; V60-I98 HydrophobicContact CG1-CD1 3.69Å |
| 61 | S | 98.6 | Very high | 93.2 | Very high | 44 Ų | 44 | 59.3 Ų | 59.3 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 152.8 | 175.6 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | A86 T87 G88 | S61-A86 PolarHBondContact N-O 2.98Å; S61-A86 PolarHBondContact OG-O 3.42Å; S61-T87 VanDerWaalsContact O-CA 3.3Å; S61-T87 WeakPolarHBondContact O-CA 3.34Å; S61-T87 PolarHBondContact OG-OG1 3.02Å; S61-G88 PolarHBondContact O-N 3.28Å; S61-G88 VanDerWaalsContact O-N 3.09Å |
| 62 | V | 98.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.4 | 168.2 | 175.3 | 0 | 0 | 0 | 0 | 107.6 | D36 Q39 A40 G88 L94 | D36-V62 HydrophobicContact CB-CB 4.14Å; D36-V62 HydrophobicContact CB-CG1 4.11Å; Q39-V62 HydrophobicContact CB-CB 4.4Å; Q39-V62 HydrophobicContact CB-CG1 4.39Å; Q39-V62 HydrophobicContact CB-CG2 3.87Å; A40-V62 HydrophobicContact CB-CG2 4.16Å; V62-G88 CarbonylContact C-O 3.56Å; V62-G88 VanDerWaalsContact CA-O 3.29Å; V62-G88 WeakPolarHBondContact CA-O 3.45Å; V62-L94 HydrophobicContact CG2-CD2 3.89Å |
| 63 | N | 97.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 57.4 Ų | 57.4 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -141.9 | 101.1 | 175 | 176.8 | 3.5 | 0 | 0 | 0 | 108.5 | S65 L66 T87 G88 S89 | N63-S65 PolarHBondContact O-N 3.06Å; N63-S65 VanDerWaalsContact O-N 3.14Å; N63-S65 WeakPolarHBondContact OD1-CB 3.42Å; N63-S65 PolarHBondContact OD1-N 3.03Å; N63-L66 WeakPolarHBondContact O-CB 3.15Å; N63-L66 PolarHBondContact O-N 3.4Å; N63-T87 HydrophobicContact CB-CG2 3.88Å; N63-G88 PolarHBondContact N-O 3.07Å; N63-S89 WeakPolarHBondContact O-CA 3.49Å | ||
| 64 | R | 94.3 | Very high | 93.4 | Very high | 94 Ų | 94 | 50.2 Ų | 50.2 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -58.1 | -28.4 | -179.2 | -71.3 | 170.4 | -174 | -168.9 | -3.4 | 113.5 | P32 K33 A34 D36 L66 S67 S89 | P32-R64 PolarHBondContact O-NH2 2.95Å; P32-R64 VanDerWaalsContact O-NH2 3.17Å; K33-R64 PolarHBondContact O-NH2 3.47Å; A34-R64 PolarHBondContact O-NH2 3.36Å; D36-R64 WeakPolarHBondContact OD1-CD 3.29Å; D36-R64 WeakPolarHBondContact OD1-CG 3.34Å; D36-R64 IonicContact OD1-CZ 3.95Å; D36-R64 IonicContact OD1-NE 3.95Å; D36-R64 PolarHBondContact OD1-NE 2.95Å; D36-R64 PolarHBondContact OD2-N 3Å; D36-R64 VanDerWaalsContact OD2-N 3.14Å; R64-L66 PolarHBondContact O-N 2.68Å; R64-S67 VanDerWaalsContact O-O 3.06Å; R64-S89 WeakPolarHBondContact CA-O 3.43Å |
| 65 | S | 93.6 | Very high | 93.5 | Very high | 93 Ų | 93 | 49.4 Ų | 49.4 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -74.7 | -1 | 178.4 | -50.5 | 0 | 0 | 0 | 0 | 113.8 | N63 S67 | N63-S65 PolarHBondContact O-N 3.06Å; N63-S65 VanDerWaalsContact O-N 3.14Å; N63-S65 WeakPolarHBondContact OD1-CB 3.42Å; N63-S65 PolarHBondContact OD1-N 3.03Å; S65-S67 PolarHBondContact O-N 3.38Å |
| 66 | L | 92.9 | Very high | 93.6 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -65.9 | -19 | 172.9 | -170.4 | 65.2 | 0 | 0 | 0 | 112.4 | N63 R64 V73 E75 T87 | N63-L66 WeakPolarHBondContact O-CB 3.15Å; N63-L66 PolarHBondContact O-N 3.4Å; R64-L66 PolarHBondContact O-N 2.68Å; L66-V73 HydrophobicContact CD2-CB 4.28Å; L66-V73 HydrophobicContact CD2-CG1 3.92Å; L66-V73 HydrophobicContact CG-CB 4.41Å; L66-V73 HydrophobicContact CG-CG1 4.08Å; L66-E75 HydrophobicContact CD1-CG 4.44Å; L66-E75 HydrophobicContact CD2-CG 4.44Å; L66-T87 HydrophobicContact CD2-CG2 4.28Å; L66-T87 WeakPolarHBondContact CD2-O 3.25Å |
| 67 | S | 87.7 | Confident | 93.7 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | trans | -137.8 | 135.2 | 176 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | R64 S65 D69 L71 | R64-S67 VanDerWaalsContact O-O 3.06Å; S65-S67 PolarHBondContact O-N 3.38Å; S67-D69 PolarHBondContact OG-OD1 3.03Å; S67-L71 WeakPolarHBondContact CB-O 3.38Å; S67-L71 PolarHBondContact OG-O 3.11Å | ||
| 68 | N | 76.3 | Confident | 93.6 | Very high | 157 Ų | 157 | 48.6 Ų | 48.6 | 84% | 0.84 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -106 | -6.1 | -176.9 | -68.9 | -25.6 | 0 | 0 | 0 | 113.3 | ||
| 69 | D | 74.9 | Confident | 93.3 | Very high | 84 Ų | 84 | 49 Ų | 49 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -114.7 | 14 | -170.2 | 61.4 | 8.8 | 0 | 0 | 0 | 113.4 | S67 L71 | S67-D69 PolarHBondContact OG-OD1 3.03Å; D69-L71 PolarHBondContact O-N 3.14Å; D69-L71 WeakPolarHBondContact OD1-CB 3.25Å; D69-L71 WeakPolarHBondContact OD1-CG 3.09Å; D69-L71 PolarHBondContact OD1-N 2.94Å |
| 70 | S | 79.1 | Confident | 92.5 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 64.8 | 6.4 | -173.5 | 71.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 71 | L | 93.3 | Very high | 91.8 | Very high | 41 Ų | 41 | 59.2 Ų | 59.2 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | trans | -85 | 137.8 | 172.9 | -57.9 | 179.5 | 0 | 0 | 0 | 110.8 | S67 D69 | S67-L71 WeakPolarHBondContact CB-O 3.38Å; S67-L71 PolarHBondContact OG-O 3.11Å; D69-L71 PolarHBondContact O-N 3.14Å; D69-L71 WeakPolarHBondContact OD1-CB 3.25Å; D69-L71 WeakPolarHBondContact OD1-CG 3.09Å; D69-L71 PolarHBondContact OD1-N 2.94Å | ||
| 72 | D | 97.3 | Very high | 91.2 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | trans | -75.5 | 139.3 | -176.7 | -83.9 | -40.7 | 0 | 0 | 0 | 112.7 | S89 T90 A93 N133 T134 R139 W472 | D72-S89 WeakPolarHBondContact CA-OG 3.21Å; D72-S89 PolarHBondContact OD1-OG 2.97Å; D72-T90 WeakPolarHBondContact OD1-CB 3.46Å; D72-T90 WeakPolarHBondContact OD1-CG2 3.13Å; D72-T90 PolarHBondContact OD1-OG1 3.46Å; D72-A93 HydrophobicContact CB-CB 3.84Å; D72-N133 WeakPolarHBondContact O-CA 3.3Å; D72-T134 HydrophobicContact CB-CG2 3.76Å; D72-T134 PolarHBondContact O-N 2.92Å; D72-T134 VanDerWaalsContact O-N 3.14Å; D72-R139 IonicContact OD2-CZ 3.61Å; D72-R139 IonicContact OD2-NH1 3.05Å; D72-R139 PolarHBondContact OD2-NH1 3.5Å; D72-R139 IonicContact OD2-NH2 3.72Å; D72-R139 PolarHBondContact OD2-NH2 3.45Å; D72-W472 HydrophobicContact CB-CH2 3.86Å; D72-W472 HydrophobicContact CB-CZ3 4.23Å | ||
| 73 | V | 97.9 | Very high | 91 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 141.5 | -177.3 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | L66 G88 S89 A93 R131 I132 N133 | L66-V73 HydrophobicContact CD2-CB 4.28Å; L66-V73 HydrophobicContact CD2-CG1 3.92Å; L66-V73 HydrophobicContact CG-CB 4.41Å; L66-V73 HydrophobicContact CG-CG1 4.08Å; V73-G88 CarbonylContact O-C 3.58Å; V73-G88 WeakPolarHBondContact O-CA 3.44Å; V73-S89 PolarHBondContact N-OG 3.25Å; V73-S89 PolarHBondContact O-N 3.21Å; V73-S89 PolarHBondContact O-OG 3.22Å; V73-A93 WeakPolarHBondContact O-CB 3.37Å; V73-R131 HydrophobicContact CG1-CG 4.15Å; V73-I132 CarbonylContact C-O 3.56Å; V73-I132 WeakPolarHBondContact CA-O 3.45Å; V73-N133 HydrophobicContact CG2-CB 3.9Å |
| 74 | C | 98.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140.7 | 164 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | L76 T87 A93 R131 I132 | C74-L76 HydrophobicContact CB-CD1 4.46Å; C74-T87 CarbonylContact C-O 3.57Å; C74-T87 WeakPolarHBondContact CA-O 3.47Å; C74-T87 PolarHBondContact SG-O 2.76Å; C74-A93 VanDerWaalsContact CB-O 3.31Å; C74-A93 WeakPolarHBondContact CB-O 3.36Å; C74-R131 CarbonylContact O-C 2.89Å; C74-R131 WeakPolarHBondContact O-CA 3.3Å; C74-I132 PolarHBondContact N-O 3.25Å; C74-I132 PolarHBondContact O-N 3.37Å |
| 75 | E | 98.6 | Very high | 91.3 | Very high | 44 Ų | 44 | 57 Ų | 57 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.7 | 171.3 | -70.3 | -171.2 | 162.6 | 0 | 0 | 110.5 | L66 A86 T87 V129 L130 R131 | L66-E75 HydrophobicContact CD1-CG 4.44Å; L66-E75 HydrophobicContact CD2-CG 4.44Å; E75-A86 CarbonylContact O-C 3.39Å; E75-A86 WeakPolarHBondContact O-CA 3.3Å; E75-T87 PolarHBondContact N-O 2.94Å; E75-T87 PolarHBondContact O-N 3.03Å; E75-V129 HydrophobicContact CB-CG1 3.83Å; E75-V129 HydrophobicContact CG-CG1 3.95Å; E75-L130 CarbonylContact C-O 3.59Å; E75-L130 WeakPolarHBondContact CA-O 3.42Å; E75-R131 HydrophobicContact CG-CB 4.2Å; E75-R131 HydrophobicContact CG-CG 3.97Å; E75-R131 IonicContact OE1-CZ 3.92Å; E75-R131 IonicContact OE1-NH1 3.04Å; E75-R131 PolarHBondContact OE1-NH1 3.07Å |
| 76 | L | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.2 | 175.5 | -62.2 | 91 | 0 | 0 | 0 | 110.4 | C74 I84 V85 A86 I98 Y101 L126 V129 L130 I132 | C74-L76 HydrophobicContact CB-CD1 4.46Å; L76-I84 HydrophobicContact CB-CG2 4.31Å; L76-I84 HydrophobicContact CD2-CG2 3.94Å; L76-V85 CarbonylContact C-O 3.5Å; L76-V85 VanDerWaalsContact CA-O 3.3Å; L76-V85 WeakPolarHBondContact CA-O 3.19Å; L76-A86 HydrophobicContact CD2-CB 4.07Å; L76-A86 HydrophobicContact CG-CB 3.91Å; L76-I98 HydrophobicContact CD2-CG1 4.19Å; L76-Y101 HydrophobicContact CD2-CG 4.38Å; L76-L126 HydrophobicContact CB-CD1 3.71Å; L76-V129 CarbonylContact O-C 3.56Å; L76-V129 WeakPolarHBondContact O-CA 3.4Å; L76-L130 HydrophobicContact CB-CB 4.36Å; L76-L130 PolarHBondContact N-O 3.03Å; L76-L130 PolarHBondContact O-N 3.1Å; L76-I132 HydrophobicContact CD1-CD1 4.1Å |
| 77 | R | 97.8 | Very high | 91.8 | Very high | 106 Ų | 106 | 52 Ų | 52 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 155.1 | 174.1 | 61.7 | 179.1 | 175.7 | -96.2 | -1.2 | 111.5 | V85 V129 | R77-V85 HydrophobicContact CG-CB 4.06Å; R77-V85 PolarHBondContact N-O 3.31Å; R77-V85 PolarHBondContact O-N 3.06Å; R77-V129 HydrophobicContact CB-CG2 4.35Å |
| 78 | S | 96.6 | Very high | 92.3 | Very high | 33 Ų | 33 | 51 Ų | 51 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.2 | 170.4 | -79.1 | 0 | 0 | 0 | 0 | 112.1 | Q125 L126 | S78-Q125 WeakPolarHBondContact OG-CA 3.37Å; S78-Q125 PolarHBondContact OG-OE1 3.36Å; S78-L126 PolarHBondContact OG-N 3.47Å |
| 79 | A | 91.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 19% | 0.19 | 22% | 0.223 | C | C | . | . | trans | -90 | 161.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N81 N82 K83 V85 | A79-N81 VanDerWaalsContact CB-OD1 3.27Å; A79-N81 WeakPolarHBondContact CB-OD1 3.48Å; A79-N81 PolarHBondContact O-N 3.06Å; A79-N82 PolarHBondContact O-N 3.32Å; A79-K83 HydrophobicContact CB-CB 4.38Å; A79-K83 PolarHBondContact N-O 3.22Å; A79-V85 HydrophobicContact CB-CG2 3.89Å | ||
| 80 | K | 81 | Confident | 94.5 | Very high | 225 Ų | 225 | 40.3 Ų | 40.3 | 98% | 0.978 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16.4 | 179.7 | -67.1 | -172.1 | 177.9 | -176.7 | 0 | 114.6 | ||
| 81 | N | 83.9 | Confident | 95.4 | Very high | 93 Ų | 93 | 37.6 Ų | 37.6 | 50% | 0.497 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 27.3 | -179.4 | 64.3 | -12.8 | 0 | 0 | 0 | 113.1 | A79 K83 | A79-N81 VanDerWaalsContact CB-OD1 3.27Å; A79-N81 WeakPolarHBondContact CB-OD1 3.48Å; A79-N81 PolarHBondContact O-N 3.06Å; N81-K83 PolarHBondContact O-N 3.43Å; N81-K83 VanDerWaalsContact O-N 3.11Å; N81-K83 WeakPolarHBondContact OD1-CB 3.47Å; N81-K83 WeakPolarHBondContact OD1-CG 3.41Å; N81-K83 PolarHBondContact OD1-N 3.04Å |
| 82 | N | 85.3 | Confident | 95.6 | Very high | 90 Ų | 90 | 35.7 Ų | 35.7 | 48% | 0.481 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 60.6 | 14.6 | -178.3 | -58.6 | -31.8 | 0 | 0 | 0 | 115.3 | A79 | A79-N82 PolarHBondContact O-N 3.32Š|
| 83 | K | 95.3 | Very high | 95.7 | Very high | 65 Ų | 65 | 35.2 Ų | 35.2 | 28% | 0.283 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -86.8 | 157.3 | 171.9 | -63.2 | -167.4 | -178.7 | -157.5 | 0 | 111.5 | T56 E57 I59 A79 N81 | T56-K83 WeakPolarHBondContact O-CE 3.48Å; T56-K83 PolarHBondContact O-NZ 2.89Å; E57-K83 CarbonylContact O-C 3.55Å; E57-K83 VanDerWaalsContact O-CA 3.27Å; E57-K83 WeakPolarHBondContact O-CA 3.29Å; E57-K83 VanDerWaalsContact O-CB 3.24Å; E57-K83 WeakPolarHBondContact O-CB 3.48Å; I59-K83 HydrophobicContact CD1-CB 4.21Å; I59-K83 HydrophobicContact CD1-CD 3.99Å; I59-K83 HydrophobicContact CG1-CB 4.46Å; I59-K83 HydrophobicContact CG1-CD 4.07Å; A79-K83 HydrophobicContact CB-CB 4.38Å; A79-K83 PolarHBondContact N-O 3.22Å; N81-K83 PolarHBondContact O-N 3.43Å; N81-K83 VanDerWaalsContact O-N 3.11Å; N81-K83 WeakPolarHBondContact OD1-CB 3.47Å; N81-K83 WeakPolarHBondContact OD1-CG 3.41Å; N81-K83 PolarHBondContact OD1-N 3.04Å |
| 84 | I | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.8 | 172.1 | -60.1 | -60.5 | 0 | 0 | 0 | 109.2 | E57 F58 I59 L76 Y101 L123 L126 | E57-I84 PolarHBondContact O-N 2.89Å; F58-I84 CarbonylContact C-O 3.54Å; F58-I84 WeakPolarHBondContact CA-O 3.36Å; F58-I84 HydrophobicContact CD1-CB 3.9Å; F58-I84 HydrophobicContact CD1-CG2 4.14Å; F58-I84 HydrophobicContact CE1-CB 4.05Å; F58-I84 HydrophobicContact CE1-CG1 4.36Å; F58-I84 HydrophobicContact CE1-CG2 4.27Å; I59-I84 PolarHBondContact N-O 3.03Å; L76-I84 HydrophobicContact CB-CG2 4.31Å; L76-I84 HydrophobicContact CD2-CG2 3.94Å; I84-Y101 HydrophobicContact CD1-CE2 3.99Å; I84-Y101 HydrophobicContact CG1-CE1 3.99Å; I84-Y101 HydrophobicContact CG1-CE2 4.29Å; I84-L123 HydrophobicContact CG1-CD1 3.83Å; I84-L126 HydrophobicContact CD1-CD1 4.44Å |
| 85 | V | 98.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 35 Ų | 35 | 13% | 0.127 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.4 | 171.8 | -178 | 0 | 0 | 0 | 0 | 107.8 | I59 L76 R77 A79 | I59-V85 HydrophobicContact CB-CG2 4.19Å; I59-V85 HydrophobicContact CD1-CG2 4.12Å; I59-V85 CarbonylContact O-C 3.59Å; I59-V85 WeakPolarHBondContact O-CA 3.49Å; L76-V85 CarbonylContact C-O 3.5Å; L76-V85 VanDerWaalsContact CA-O 3.3Å; L76-V85 WeakPolarHBondContact CA-O 3.19Å; R77-V85 HydrophobicContact CG-CB 4.06Å; R77-V85 PolarHBondContact N-O 3.31Å; R77-V85 PolarHBondContact O-N 3.06Å; A79-V85 HydrophobicContact CB-CG2 3.89Å |
| 86 | A | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | I59 V60 S61 E75 L76 L94 I98 | I59-A86 PolarHBondContact O-N 2.92Å; V60-A86 CarbonylContact C-O 3.6Å; V60-A86 WeakPolarHBondContact CA-O 3.36Å; S61-A86 PolarHBondContact N-O 2.98Å; S61-A86 PolarHBondContact OG-O 3.42Å; E75-A86 CarbonylContact O-C 3.39Å; E75-A86 WeakPolarHBondContact O-CA 3.3Å; L76-A86 HydrophobicContact CD2-CB 4.07Å; L76-A86 HydrophobicContact CG-CB 3.91Å; A86-L94 HydrophobicContact CB-CD1 3.55Å; A86-L94 WeakPolarHBondContact O-CD1 3.28Å; A86-I98 HydrophobicContact CB-CD1 4.04Å; A86-I98 HydrophobicContact CB-CG1 3.85Å |
| 87 | T | 98.7 | Very high | 95.8 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 12% | 0.117 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.5 | 175.2 | -57.3 | 0 | 0 | 0 | 0 | 109.3 | S61 N63 L66 C74 E75 | S61-T87 VanDerWaalsContact O-CA 3.3Å; S61-T87 WeakPolarHBondContact O-CA 3.34Å; S61-T87 PolarHBondContact OG-OG1 3.02Å; N63-T87 HydrophobicContact CB-CG2 3.88Å; L66-T87 HydrophobicContact CD2-CG2 4.28Å; L66-T87 WeakPolarHBondContact CD2-O 3.25Å; C74-T87 CarbonylContact C-O 3.57Å; C74-T87 WeakPolarHBondContact CA-O 3.47Å; C74-T87 PolarHBondContact SG-O 2.76Å; E75-T87 PolarHBondContact N-O 2.94Å; E75-T87 PolarHBondContact O-N 3.03Å |
| 88 | G | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 153 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S61 V62 N63 V73 T90 | S61-G88 PolarHBondContact O-N 3.28Å; S61-G88 VanDerWaalsContact O-N 3.09Å; V62-G88 CarbonylContact C-O 3.56Å; V62-G88 VanDerWaalsContact CA-O 3.29Å; V62-G88 WeakPolarHBondContact CA-O 3.45Å; N63-G88 PolarHBondContact N-O 3.07Å; V73-G88 CarbonylContact O-C 3.58Å; V73-G88 WeakPolarHBondContact O-CA 3.44Å; G88-T90 PolarHBondContact O-N 2.98Å |
| 89 | S | 98.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 4% | 0.035 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -63 | -31 | 166.9 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | N63 R64 D72 V73 | N63-S89 WeakPolarHBondContact O-CA 3.49Å; R64-S89 WeakPolarHBondContact CA-O 3.43Å; D72-S89 WeakPolarHBondContact CA-OG 3.21Å; D72-S89 PolarHBondContact OD1-OG 2.97Å; V73-S89 PolarHBondContact N-OG 3.25Å; V73-S89 PolarHBondContact O-N 3.21Å; V73-S89 PolarHBondContact O-OG 3.22Å |
| 90 | T | 98.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 27.2 Ų | 27.2 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -141.3 | 167.9 | 178.7 | 60.8 | 0 | 0 | 0 | 0 | 110 | P32 D72 G88 V92 A93 L94 | P32-T90 HydrophobicContact CG-CG2 3.74Å; D72-T90 WeakPolarHBondContact OD1-CB 3.46Å; D72-T90 WeakPolarHBondContact OD1-CG2 3.13Å; D72-T90 PolarHBondContact OD1-OG1 3.46Å; G88-T90 PolarHBondContact O-N 2.98Å; T90-V92 WeakPolarHBondContact OG1-CG2 3.24Å; T90-A93 PolarHBondContact O-N 2.78Å; T90-A93 WeakPolarHBondContact OG1-CB 3.49Å; T90-A93 PolarHBondContact OG1-N 2.89Å; T90-L94 WeakPolarHBondContact O-CB 3.1Å; T90-L94 PolarHBondContact O-N 3.02Å |
| 91 | G | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V43 L94 A95 F245 | V43-G91 WeakPolarHBondContact CG2-O 3.34Å; G91-L94 PolarHBondContact O-N 2.83Å; G91-A95 WeakPolarHBondContact O-CB 3.18Å; G91-A95 PolarHBondContact O-N 2.91Å; G91-F245 CarbonylContact C-O 3.53Å; G91-F245 VanDerWaalsContact CA-O 3.24Å; G91-F245 WeakPolarHBondContact CA-O 3.1Å; G91-F245 PolarHBondContact N-O 2.96Å |
| 92 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 173.3 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | T90 L94 A95 S96 I171 N172 F245 M247 | T90-V92 WeakPolarHBondContact OG1-CG2 3.24Å; V92-L94 VanDerWaalsContact C-N 3.35Å; V92-L94 PolarHBondContact O-N 3.28Å; V92-A95 PolarHBondContact O-N 3.34Å; V92-S96 WeakPolarHBondContact O-CB 3.49Å; V92-S96 PolarHBondContact O-N 3.1Å; V92-S96 PolarHBondContact O-OG 3.48Å; V92-I171 WeakPolarHBondContact CG1-O 3.47Å; V92-N172 HydrophobicContact CG2-CB 4.03Å; V92-F245 HydrophobicContact CG1-CB 4.15Å; V92-F245 PolarHBondContact N-O 3.34Å; V92-M247 HydrophobicContact CG1-CE 3.93Å; V92-M247 HydrophobicContact CG1-CG 3.65Å |
| 93 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D72 V73 C74 T90 S96 G97 W472 | D72-A93 HydrophobicContact CB-CB 3.84Å; V73-A93 WeakPolarHBondContact O-CB 3.37Å; C74-A93 VanDerWaalsContact CB-O 3.31Å; C74-A93 WeakPolarHBondContact CB-O 3.36Å; T90-A93 PolarHBondContact O-N 2.78Å; T90-A93 WeakPolarHBondContact OG1-CB 3.49Å; T90-A93 PolarHBondContact OG1-N 2.89Å; A93-S96 PolarHBondContact O-N 3.07Å; A93-G97 PolarHBondContact O-N 2.99Å; A93-W472 HydrophobicContact CB-CH2 4.12Å |
| 94 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 176.1 | 176.2 | 64.2 | 0 | 0 | 0 | 111.7 | V43 V60 V62 A86 T90 G91 V92 G97 I98 | V43-L94 HydrophobicContact CB-CD2 3.8Å; V43-L94 HydrophobicContact CB-CG 4.38Å; V43-L94 HydrophobicContact CG1-CD2 3.85Å; V43-L94 HydrophobicContact CG1-CG 3.95Å; V43-L94 HydrophobicContact CG2-CB 4.35Å; V43-L94 HydrophobicContact CG2-CD2 3.85Å; V43-L94 HydrophobicContact CG2-CG 4.26Å; V60-L94 HydrophobicContact CB-CD1 4.23Å; V60-L94 HydrophobicContact CB-CD2 3.83Å; V60-L94 HydrophobicContact CB-CG 4.47Å; V60-L94 HydrophobicContact CG1-CD1 4.42Å; V60-L94 HydrophobicContact CG2-CD2 4.4Å; V62-L94 HydrophobicContact CG2-CD2 3.89Å; A86-L94 HydrophobicContact CB-CD1 3.55Å; A86-L94 WeakPolarHBondContact O-CD1 3.28Å; T90-L94 WeakPolarHBondContact O-CB 3.1Å; T90-L94 PolarHBondContact O-N 3.02Å; G91-L94 PolarHBondContact O-N 2.83Å; V92-L94 VanDerWaalsContact C-N 3.35Å; V92-L94 PolarHBondContact O-N 3.28Å; L94-G97 PolarHBondContact O-N 2.7Å; L94-I98 HydrophobicContact CD1-CD1 3.99Å; L94-I98 HydrophobicContact CG-CD1 4.2Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 2.94Å; L94-I98 VanDerWaalsContact O-N 3.1Å |
| 95 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V43 L46 G91 V92 I98 Y99 A167 | V43-A95 HydrophobicContact CG1-CB 4.43Å; V43-A95 HydrophobicContact CG2-CB 4.33Å; L46-A95 HydrophobicContact CD1-CB 4.43Å; G91-A95 WeakPolarHBondContact O-CB 3.18Å; G91-A95 PolarHBondContact O-N 2.91Å; V92-A95 PolarHBondContact O-N 3.34Å; A95-I98 PolarHBondContact O-N 3.5Å; A95-Y99 PolarHBondContact O-N 3.14Å; A95-A167 HydrophobicContact CB-CB 3.98Å; A95-A167 WeakPolarHBondContact CB-O 3.03Å |
| 96 | S | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 11.5 Ų | 11.5 | 4% | 0.042 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 178 | -62.3 | 0 | 0 | 0 | 0 | 113.1 | V92 A93 I98 Y99 N100 A167 L168 G170 W472 | V92-S96 WeakPolarHBondContact O-CB 3.49Å; V92-S96 PolarHBondContact O-N 3.1Å; V92-S96 PolarHBondContact O-OG 3.48Å; A93-S96 PolarHBondContact O-N 3.07Å; S96-I98 VanDerWaalsContact C-N 3.35Å; S96-Y99 PolarHBondContact O-N 3.32Å; S96-N100 WeakPolarHBondContact O-CB 3.48Å; S96-N100 PolarHBondContact O-N 3.41Å; S96-A167 PolarHBondContact OG-O 2.68Å; S96-A167 VanDerWaalsContact OG-O 3.07Å; S96-L168 WeakPolarHBondContact CA-O 3.27Å; S96-L168 PolarHBondContact OG-O 2.88Å; S96-G170 WeakPolarHBondContact OG-CA 3.11Å; S96-G170 PolarHBondContact OG-N 3.49Å; S96-W472 VanDerWaalsContact CB-CZ2 3.42Å; S96-W472 WeakPolarHBondContact OG-CZ2 3.44Å |
| 97 | G | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A93 L94 N100 Y101 | A93-G97 PolarHBondContact O-N 2.99Å; L94-G97 PolarHBondContact O-N 2.7Å; G97-N100 PolarHBondContact O-N 2.97Å; G97-Y101 PolarHBondContact O-N 3.25Å; G97-Y101 VanDerWaalsContact O-N 3.12Å |
| 98 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.8 | -42.2 | 173.4 | -64.9 | 165.9 | 0 | 0 | 0 | 110.7 | V43 L47 F58 V60 L76 A86 L94 A95 S96 N100 Y101 L102 | V43-I98 HydrophobicContact CG1-CD1 4.3Å; L47-I98 HydrophobicContact CD1-CD1 3.95Å; L47-I98 HydrophobicContact CD2-CD1 4.4Å; L47-I98 HydrophobicContact CD2-CG2 3.86Å; F58-I98 HydrophobicContact CD1-CG1 4.5Å; F58-I98 HydrophobicContact CD1-CG2 4.08Å; F58-I98 HydrophobicContact CE1-CG2 3.86Å; F58-I98 HydrophobicContact CZ-CG2 4.4Å; V60-I98 HydrophobicContact CG1-CD1 3.69Å; L76-I98 HydrophobicContact CD2-CG1 4.19Å; A86-I98 HydrophobicContact CB-CD1 4.04Å; A86-I98 HydrophobicContact CB-CG1 3.85Å; L94-I98 HydrophobicContact CD1-CD1 3.99Å; L94-I98 HydrophobicContact CG-CD1 4.2Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 2.94Å; L94-I98 VanDerWaalsContact O-N 3.1Å; A95-I98 PolarHBondContact O-N 3.5Å; S96-I98 VanDerWaalsContact C-N 3.35Å; I98-N100 VanDerWaalsContact C-N 3.32Å; I98-N100 PolarHBondContact O-N 3.44Å; I98-Y101 WeakPolarHBondContact O-CB 3.49Å; I98-Y101 PolarHBondContact O-N 3.37Å; I98-L102 HydrophobicContact CG2-CD1 4.2Å; I98-L102 HydrophobicContact CG2-CG 4.32Å; I98-L102 WeakPolarHBondContact O-CG 3.23Å; I98-L102 PolarHBondContact O-N 3.13Å |
| 99 | Y | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.1 | -171.4 | -135.9 | 0 | 0 | 0 | 111.9 | A95 S96 Y101 L102 K103 H109 V110 L168 E465 | A95-Y99 PolarHBondContact O-N 3.14Å; S96-Y99 PolarHBondContact O-N 3.32Å; Y99-Y101 VanDerWaalsContact C-N 3.32Å; Y99-Y101 PolarHBondContact O-N 2.91Å; Y99-L102 WeakPolarHBondContact O-CB 3.34Å; Y99-L102 PolarHBondContact O-N 2.91Å; Y99-L102 VanDerWaalsContact O-N 3.15Å; Y99-K103 HydrophobicContact CD1-CD 4.24Å; Y99-K103 HydrophobicContact CD1-CG 4.48Å; Y99-K103 HydrophobicContact CD2-CG 4.19Å; Y99-K103 HydrophobicContact CE1-CD 3.74Å; Y99-K103 HydrophobicContact CE1-CG 4.19Å; Y99-K103 HydrophobicContact CE2-CD 4.26Å; Y99-K103 HydrophobicContact CE2-CG 3.85Å; Y99-K103 HydrophobicContact CG-CG 4.49Å; Y99-K103 WeakPolarHBondContact O-CG 3.39Å; Y99-K103 PolarHBondContact O-N 3.06Å; Y99-H109 PolarHBondContact OH-ND1 3.04Å; Y99-V110 HydrophobicContact CD2-CG2 4.49Å; Y99-V110 HydrophobicContact CE2-CB 3.97Å; Y99-V110 HydrophobicContact CE2-CG2 3.87Å; Y99-V110 PolarHBondContact OH-N 2.99Å; Y99-V110 VanDerWaalsContact OH-N 3.09Å; Y99-V110 PolarHBondContact OH-O 2.76Å; Y99-L168 HydrophobicContact CD1-CB 4.09Å; Y99-L168 VanDerWaalsContact CD1-O 3.3Å; Y99-L168 WeakPolarHBondContact CD1-O 3.33Å; Y99-L168 HydrophobicContact CD2-CD2 4.2Å; Y99-L168 HydrophobicContact CG-CB 4.04Å; Y99-L168 HydrophobicContact CG-CD2 4.03Å; Y99-E465 PolarHBondContact OH-OE2 3.26Å |
| 100 | N | 98.5 | Very high | 98.2 | Very high | 30 Ų | 30 | 14.4 Ų | 14.4 | 16% | 0.16 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 174.3 | -175.4 | -82.1 | 0 | 0 | 0 | 111.7 | S96 G97 I98 K103 Y104 I132 | S96-N100 WeakPolarHBondContact O-CB 3.48Å; S96-N100 PolarHBondContact O-N 3.41Å; G97-N100 PolarHBondContact O-N 2.97Å; I98-N100 VanDerWaalsContact C-N 3.32Å; I98-N100 PolarHBondContact O-N 3.44Å; N100-K103 PolarHBondContact O-N 3.22Å; N100-Y104 WeakPolarHBondContact O-CD2 3.41Å; N100-Y104 PolarHBondContact O-N 2.95Å; N100-I132 HydrophobicContact CB-CD1 3.49Å; N100-I132 VanDerWaalsContact CB-CD1 3.49Å |
| 101 | Y | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 173.9 | 171.5 | -94.4 | 0 | 0 | 0 | 112.2 | F58 L76 I84 G97 I98 Y99 K103 Y104 F105 C106 L123 P124 L126 | F58-Y101 AromaticContact CE1-CD1 3.99Å; F58-Y101 HydrophobicContact CE1-CD1 3.99Å; F58-Y101 HydrophobicContact CE1-CE1 4.08Å; F58-Y101 HydrophobicContact CZ-CD1 4.31Å; F58-Y101 HydrophobicContact CZ-CE1 4.18Å; L76-Y101 HydrophobicContact CD2-CG 4.38Å; I84-Y101 HydrophobicContact CD1-CE2 3.99Å; I84-Y101 HydrophobicContact CG1-CE1 3.99Å; I84-Y101 HydrophobicContact CG1-CE2 4.29Å; G97-Y101 PolarHBondContact O-N 3.25Å; G97-Y101 VanDerWaalsContact O-N 3.12Å; I98-Y101 WeakPolarHBondContact O-CB 3.49Å; I98-Y101 PolarHBondContact O-N 3.37Å; Y99-Y101 VanDerWaalsContact C-N 3.32Å; Y99-Y101 PolarHBondContact O-N 2.91Å; Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.22Å; Y101-Y104 PolarHBondContact O-N 2.68Å; Y101-F105 HydrophobicContact CD2-CB 3.85Å; Y101-F105 AromaticContact CD2-CD2 3.64Å; Y101-F105 HydrophobicContact CD2-CD2 3.64Å; Y101-F105 HydrophobicContact CD2-CE2 4.35Å; Y101-F105 AromaticContact CD2-CG 3.75Å; Y101-F105 HydrophobicContact CD2-CG 3.75Å; Y101-F105 HydrophobicContact CE2-CB 3.69Å; Y101-F105 HydrophobicContact CE2-CD1 4.34Å; Y101-F105 HydrophobicContact CE2-CD2 4.2Å; Y101-F105 AromaticContact CE2-CG 3.82Å; Y101-F105 HydrophobicContact CE2-CG 3.82Å; Y101-F105 HydrophobicContact CG-CB 4.47Å; Y101-F105 HydrophobicContact CG-CD2 4.36Å; Y101-F105 WeakPolarHBondContact O-CA 3.32Å; Y101-F105 VanDerWaalsContact O-CB 3.32Å; Y101-F105 WeakPolarHBondContact O-CB 3.24Å; Y101-F105 PolarHBondContact O-N 2.79Å; Y101-C106 VanDerWaalsContact CE1-SG 3.5Å; Y101-C106 PolarHBondContact O-N 3.05Å; Y101-L123 HydrophobicContact CE1-CD2 4.43Å; Y101-P124 WeakPolarHBondContact OH-CD 3.47Å; Y101-P124 PolarHBondContact OH-O 2.72Å; Y101-L126 HydrophobicContact CD2-CD1 4.25Å; Y101-L126 HydrophobicContact CD2-CD2 4.02Å; Y101-L126 HydrophobicContact CD2-CG 4.28Å; Y101-L126 HydrophobicContact CE2-CD1 4.38Å; Y101-L126 HydrophobicContact CE2-CD2 4.05Å; Y101-L126 HydrophobicContact CE2-CG 4.07Å |
| 102 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 176.2 | -69.5 | 176.5 | 0 | 0 | 0 | 111.6 | L50 L51 F58 I98 Y99 C106 N107 C108 V119 | L50-L102 HydrophobicContact CD2-CD1 4.16Å; L51-L102 HydrophobicContact CD1-CD1 4.49Å; F58-L102 HydrophobicContact CZ-CD2 4.08Å; I98-L102 HydrophobicContact CG2-CD1 4.2Å; I98-L102 HydrophobicContact CG2-CG 4.32Å; I98-L102 WeakPolarHBondContact O-CG 3.23Å; I98-L102 PolarHBondContact O-N 3.13Å; Y99-L102 WeakPolarHBondContact O-CB 3.34Å; Y99-L102 PolarHBondContact O-N 2.91Å; Y99-L102 VanDerWaalsContact O-N 3.15Å; L102-C106 HydrophobicContact CD2-CB 4.3Å; L102-C106 CarbonylContact O-C 3.45Å; L102-C106 WeakPolarHBondContact O-CA 3.24Å; L102-C106 VanDerWaalsContact O-CB 3.26Å; L102-C106 WeakPolarHBondContact O-CB 3.2Å; L102-C106 PolarHBondContact O-N 2.97Å; L102-N107 PolarHBondContact O-N 2.78Å; L102-N107 VanDerWaalsContact O-N 3.14Å; L102-C108 HydrophobicContact CB-CB 4.02Å; L102-C108 PolarHBondContact O-N 2.87Å; L102-V119 HydrophobicContact CD2-CG2 4.12Å |
| 103 | K | 97.6 | Very high | 98 | Very high | 10 Ų | 10 | 16.3 Ų | 16.3 | 4% | 0.043 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.7 | -51.6 | 177.6 | -71.9 | -164 | -67.3 | 177.1 | 0 | 112.8 | Y99 N100 Y101 C108 E465 E469 | Y99-K103 HydrophobicContact CD1-CD 4.24Å; Y99-K103 HydrophobicContact CD1-CG 4.48Å; Y99-K103 HydrophobicContact CD2-CG 4.19Å; Y99-K103 HydrophobicContact CE1-CD 3.74Å; Y99-K103 HydrophobicContact CE1-CG 4.19Å; Y99-K103 HydrophobicContact CE2-CD 4.26Å; Y99-K103 HydrophobicContact CE2-CG 3.85Å; Y99-K103 HydrophobicContact CG-CG 4.49Å; Y99-K103 WeakPolarHBondContact O-CG 3.39Å; Y99-K103 PolarHBondContact O-N 3.06Å; N100-K103 PolarHBondContact O-N 3.22Å; Y101-K103 VanDerWaalsContact C-N 3.31Å; Y101-K103 PolarHBondContact O-N 3.22Å; K103-C108 WeakPolarHBondContact CA-O 3.49Å; K103-E465 WeakPolarHBondContact CD-OE1 3.25Å; K103-E465 WeakPolarHBondContact CE-OE1 3.05Å; K103-E465 IonicContact NZ-OE1 3.76Å; K103-E465 PolarHBondContact NZ-OE1 3.03Å; K103-E469 IonicContact NZ-OE2 3.45Å; K103-E469 PolarHBondContact NZ-OE2 3.29Å |
| 104 | Y | 96.8 | Very high | 97.9 | Very high | 76 Ų | 76 | 16.7 Ų | 16.7 | 30% | 0.298 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -93.9 | -21.3 | -165.6 | -75.3 | -68.8 | 0 | 0 | 0 | 114.8 | N100 Y101 E469 R473 L485 | N100-Y104 WeakPolarHBondContact O-CD2 3.41Å; N100-Y104 PolarHBondContact O-N 2.95Å; Y101-Y104 PolarHBondContact O-N 2.68Å; Y104-E469 VanDerWaalsContact CE2-OE1 3.24Å; Y104-E469 WeakPolarHBondContact CE2-OE1 3.29Å; Y104-E469 VanDerWaalsContact OH-CD 3.3Å; Y104-E469 PolarHBondContact OH-OE1 2.68Å; Y104-E469 PolarHBondContact OH-OE2 3Å; Y104-R473 PolarHBondContact OH-NH2 3.08Å; Y104-L485 HydrophobicContact CE1-CD1 4.45Å |
| 105 | F | 97.1 | Very high | 97.8 | Very high | 75 Ų | 75 | 19.7 Ų | 19.7 | 33% | 0.329 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -110.5 | -33.1 | 179 | -64.5 | -97.5 | 0 | 0 | 0 | 111.7 | Y101 P124 L126 L130 | Y101-F105 HydrophobicContact CD2-CB 3.85Å; Y101-F105 AromaticContact CD2-CD2 3.64Å; Y101-F105 HydrophobicContact CD2-CD2 3.64Å; Y101-F105 HydrophobicContact CD2-CE2 4.35Å; Y101-F105 AromaticContact CD2-CG 3.75Å; Y101-F105 HydrophobicContact CD2-CG 3.75Å; Y101-F105 HydrophobicContact CE2-CB 3.69Å; Y101-F105 HydrophobicContact CE2-CD1 4.34Å; Y101-F105 HydrophobicContact CE2-CD2 4.2Å; Y101-F105 AromaticContact CE2-CG 3.82Å; Y101-F105 HydrophobicContact CE2-CG 3.82Å; Y101-F105 HydrophobicContact CG-CB 4.47Å; Y101-F105 HydrophobicContact CG-CD2 4.36Å; Y101-F105 WeakPolarHBondContact O-CA 3.32Å; Y101-F105 VanDerWaalsContact O-CB 3.32Å; Y101-F105 WeakPolarHBondContact O-CB 3.24Å; Y101-F105 PolarHBondContact O-N 2.79Å; F105-P124 HydrophobicContact CB-CB 4.07Å; F105-P124 HydrophobicContact CB-CG 4.29Å; F105-P124 VanDerWaalsContact O-CG 3.3Å; F105-P124 WeakPolarHBondContact O-CG 3.44Å; F105-L126 HydrophobicContact CD1-CD2 3.96Å; F105-L126 HydrophobicContact CD2-CD2 4.35Å; F105-L126 HydrophobicContact CE1-CD2 3.45Å; F105-L126 VanDerWaalsContact CE1-CD2 3.45Å; F105-L126 HydrophobicContact CE2-CD2 3.9Å; F105-L126 HydrophobicContact CG-CD2 4.38Å; F105-L126 HydrophobicContact CZ-CD2 3.41Å; F105-L126 VanDerWaalsContact CZ-CD2 3.41Å; F105-L130 HydrophobicContact CE2-CD2 3.85Å; F105-L130 HydrophobicContact CZ-CD2 4.44Å |
| 106 | C | 97.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.02 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -103.1 | -3.5 | -176.5 | -54.2 | 0 | 0 | 0 | 0 | 114.2 | Y101 L102 C108 V119 P120 | Y101-C106 VanDerWaalsContact CE1-SG 3.5Å; Y101-C106 PolarHBondContact O-N 3.05Å; L102-C106 HydrophobicContact CD2-CB 4.3Å; L102-C106 CarbonylContact O-C 3.45Å; L102-C106 WeakPolarHBondContact O-CA 3.24Å; L102-C106 VanDerWaalsContact O-CB 3.26Å; L102-C106 WeakPolarHBondContact O-CB 3.2Å; L102-C106 PolarHBondContact O-N 2.97Å; C106-C108 PolarHBondContact O-N 3.03Å; C106-V119 HydrophobicContact CB-CG1 4.39Å; C106-P120 HydrophobicContact CB-CG 4.37Å |
| 107 | N | 96.9 | Very high | 97.6 | Very high | 73 Ų | 73 | 22.1 Ų | 22.1 | 39% | 0.39 | 11% | 0.11 | S | C | . | . | trans | 53.5 | 34.6 | -173.7 | -64.6 | -41.2 | 0 | 0 | 0 | 113.7 | L102 Q116 R489 | L102-N107 PolarHBondContact O-N 2.78Å; L102-N107 VanDerWaalsContact O-N 3.14Å; N107-Q116 PolarHBondContact O-OE1 3.26Å; N107-R489 WeakPolarHBondContact O-CA 3.39Å; N107-R489 VanDerWaalsContact O-O 3.07Å | ||
| 108 | C | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -91.8 | 159 | 177.6 | -61.8 | 0 | 0 | 0 | 0 | 112 | L102 K103 C106 Q116 L117 | L102-C108 HydrophobicContact CB-CB 4.02Å; L102-C108 PolarHBondContact O-N 2.87Å; K103-C108 WeakPolarHBondContact CA-O 3.49Å; C106-C108 PolarHBondContact O-N 3.03Å; C108-Q116 CarbonylContact C-O 3.43Å; C108-Q116 WeakPolarHBondContact CA-O 3.48Å; C108-Q116 VanDerWaalsContact CB-O 3.26Å; C108-Q116 WeakPolarHBondContact CB-O 3.31Å; C108-L117 HydrophobicContact CB-CD2 4.26Å | ||
| 109 | H | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 140.8 | 178.1 | -176.5 | 55.8 | 0 | 0 | 0 | 111 | Y99 N115 Q116 E465 Y486 R489 R490 | Y99-H109 PolarHBondContact OH-ND1 3.04Å; H109-N115 CarbonylContact O-C 3.42Å; H109-N115 WeakPolarHBondContact O-CA 3.47Å; H109-Q116 HydrophobicContact CB-CB 4.36Å; H109-Q116 PolarHBondContact N-O 3.2Å; H109-Q116 PolarHBondContact O-N 2.79Å; H109-E465 IonicContact CE1-OE2 2.77Å; H109-E465 PolarHBondContact CE1-OE2 3.32Å; H109-E465 IonicContact ND1-OE2 3.57Å; H109-Y486 AromaticContact CE1-CE2 3.63Å; H109-Y486 AromaticContact NE2-CE2 3.8Å; H109-R489 HydrophobicContact CB-CG 4.31Å; H109-R489 WeakPolarHBondContact CB-O 3.25Å; H109-R490 PolarHBondContact NE2-NH1 2.96Å |
| 110 | V | 98.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124.3 | 178.2 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | L50 Y99 N115 L117 L168 | L50-V110 HydrophobicContact CD1-CG2 3.84Å; L50-V110 HydrophobicContact CD2-CG2 4.47Å; Y99-V110 HydrophobicContact CD2-CG2 4.49Å; Y99-V110 HydrophobicContact CE2-CB 3.97Å; Y99-V110 HydrophobicContact CE2-CG2 3.87Å; Y99-V110 PolarHBondContact OH-N 2.99Å; Y99-V110 VanDerWaalsContact OH-N 3.09Å; Y99-V110 PolarHBondContact OH-O 2.76Å; V110-N115 WeakPolarHBondContact CA-OD1 3.27Å; V110-N115 WeakPolarHBondContact CG1-OD1 3.46Å; V110-L117 HydrophobicContact CG2-CD2 3.95Å; V110-L168 HydrophobicContact CB-CD1 4.27Å; V110-L168 HydrophobicContact CG1-CD1 3.92Å; V110-L168 HydrophobicContact CG2-CD1 4.23Å |
| 111 | S | 97.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 8% | 0.077 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 166 | -179.5 | 75.1 | 0 | 0 | 0 | 0 | 111.7 | S113 G114 N115 R490 | S111-S113 PolarHBondContact O-N 2.88Å; S111-S113 PolarHBondContact OG-N 3.16Å; S111-S113 PolarHBondContact OG-OG 3.13Å; S111-G114 PolarHBondContact N-O 2.73Å; S111-G114 VanDerWaalsContact N-O 3.15Å; S111-G114 PolarHBondContact O-N 2.94Å; S111-G114 PolarHBondContact OG-N 2.71Å; S111-G114 PolarHBondContact OG-O 3.27Å; S111-N115 PolarHBondContact N-OD1 3.05Å; S111-R490 PolarHBondContact OG-NH1 3.15Å; S111-R490 VanDerWaalsContact OG-NH1 3.14Å |
| 112 | W | 97.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 38.4 Ų | 38.4 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.2 | 173.9 | -58.6 | -55.5 | 0 | 0 | 0 | 112.8 | G114 Y141 E162 W165 I457 E458 Y464 | W112-G114 VanDerWaalsContact C-N 3.29Å; W112-G114 PolarHBondContact O-N 3.34Å; W112-Y141 WeakPolarHBondContact CZ2-OH 3.38Å; W112-E162 PolarHBondContact NE1-OE1 2.94Å; W112-E162 VanDerWaalsContact NE1-OE1 3.11Å; W112-E162 PolarHBondContact NE1-OE2 2.82Å; W112-W165 HydrophobicContact CH2-CH2 4.09Å; W112-W165 HydrophobicContact CH2-CZ2 4.23Å; W112-W165 HydrophobicContact CZ2-CD2 4.46Å; W112-W165 HydrophobicContact CZ2-CE3 4.27Å; W112-W165 AromaticContact CZ2-CH2 3.68Å; W112-W165 HydrophobicContact CZ2-CH2 3.68Å; W112-W165 AromaticContact CZ2-CZ2 3.88Å; W112-W165 HydrophobicContact CZ2-CZ2 3.88Å; W112-W165 AromaticContact CZ2-CZ3 3.89Å; W112-W165 HydrophobicContact CZ2-CZ3 3.89Å; W112-I457 HydrophobicContact CD2-CD1 4.35Å; W112-I457 HydrophobicContact CE3-CB 4.42Å; W112-I457 HydrophobicContact CH2-CB 3.73Å; W112-I457 HydrophobicContact CH2-CG2 3.78Å; W112-I457 HydrophobicContact CZ2-CB 3.88Å; W112-I457 HydrophobicContact CZ2-CD1 3.94Å; W112-I457 HydrophobicContact CZ2-CG2 4Å; W112-I457 HydrophobicContact CZ3-CB 4Å; W112-I457 HydrophobicContact CZ3-CG2 4.45Å; W112-E458 HydrophobicContact CB-CB 4.43Å; W112-E458 HydrophobicContact CB-CG 4.02Å; W112-E458 HydrophobicContact CD2-CG 4.43Å; W112-E458 HydrophobicContact CG-CG 4.1Å; W112-Y464 HydrophobicContact CH2-CD1 4.08Å; W112-Y464 AromaticContact CH2-CD2 3.95Å; W112-Y464 HydrophobicContact CH2-CD2 3.95Å; W112-Y464 HydrophobicContact CH2-CE1 4.48Å; W112-Y464 HydrophobicContact CH2-CE2 4.35Å; W112-Y464 AromaticContact CH2-CG 3.8Å; W112-Y464 HydrophobicContact CH2-CG 3.8Å; W112-Y464 HydrophobicContact CZ3-CD1 4.48Å; W112-Y464 AromaticContact CZ3-CD2 3.52Å; W112-Y464 HydrophobicContact CZ3-CD2 3.52Å; W112-Y464 AromaticContact CZ3-CE2 3.9Å; W112-Y464 HydrophobicContact CZ3-CE2 3.9Å; W112-Y464 AromaticContact CZ3-CG 3.85Å; W112-Y464 HydrophobicContact CZ3-CG 3.85Å |
| 113 | S | 95.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.7 | -177.5 | 52 | 0 | 0 | 0 | 0 | 115 | S111 R490 Y566 | S111-S113 PolarHBondContact O-N 2.88Å; S111-S113 PolarHBondContact OG-N 3.16Å; S111-S113 PolarHBondContact OG-OG 3.13Å; S113-R490 PolarHBondContact OG-NH1 3.07Å; S113-R490 PolarHBondContact OG-NH2 3.16Å; S113-Y566 VanDerWaalsContact CB-CD2 3.44Å; S113-Y566 VanDerWaalsContact CB-CG 3.42Å |
| 114 | G | 95.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.3 | 169.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S111 W112 E562 | S111-G114 PolarHBondContact N-O 2.73Å; S111-G114 VanDerWaalsContact N-O 3.15Å; S111-G114 PolarHBondContact O-N 2.94Å; S111-G114 PolarHBondContact OG-N 2.71Å; S111-G114 PolarHBondContact OG-O 3.27Å; W112-G114 VanDerWaalsContact C-N 3.29Å; W112-G114 PolarHBondContact O-N 3.34Å; G114-E562 WeakPolarHBondContact CA-OE1 3.28Å |
| 115 | N | 96.8 | Very high | 96.3 | Very high | 64 Ų | 64 | 40 Ų | 40 | 34% | 0.342 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.8 | -175 | -59.5 | -35.5 | 0 | 0 | 0 | 111.4 | H109 V110 S111 L117 E562 | H109-N115 CarbonylContact O-C 3.42Å; H109-N115 WeakPolarHBondContact O-CA 3.47Å; V110-N115 WeakPolarHBondContact CA-OD1 3.27Å; V110-N115 WeakPolarHBondContact CG1-OD1 3.46Å; S111-N115 PolarHBondContact N-OD1 3.05Å; N115-L117 HydrophobicContact CB-CD1 3.82Å; N115-L117 HydrophobicContact CB-CG 4.01Å; N115-E562 PolarHBondContact N-OE1 3.38Å |
| 116 | Q | 97.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 110.4 | 161.2 | -158.4 | -68.7 | -6.4 | 0 | 0 | 106.5 | N107 C108 H109 E118 R489 | N107-Q116 PolarHBondContact O-OE1 3.26Å; C108-Q116 CarbonylContact C-O 3.43Å; C108-Q116 WeakPolarHBondContact CA-O 3.48Å; C108-Q116 VanDerWaalsContact CB-O 3.26Å; C108-Q116 WeakPolarHBondContact CB-O 3.31Å; H109-Q116 HydrophobicContact CB-CB 4.36Å; H109-Q116 PolarHBondContact N-O 3.2Å; H109-Q116 PolarHBondContact O-N 2.79Å; Q116-E118 PolarHBondContact NE2-OE2 3.13Å; Q116-E118 VanDerWaalsContact NE2-OE2 3.17Å; Q116-R489 WeakPolarHBondContact CB-O 3.42Å |
| 117 | L | 96.6 | Very high | 96.1 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | trans | -131.2 | 31.3 | -176.1 | -65.9 | 167.8 | 0 | 0 | 0 | 111.7 | L50 L51 C108 V110 N115 V119 | L50-L117 HydrophobicContact CD1-CD1 3.58Å; L50-L117 HydrophobicContact CD1-CD2 4.09Å; L50-L117 HydrophobicContact CD1-CG 4.5Å; L50-L117 HydrophobicContact CD2-CD2 4.36Å; L50-L117 HydrophobicContact CG-CD1 4Å; L50-L117 HydrophobicContact CG-CD2 4.07Å; L51-L117 HydrophobicContact CD2-CD2 4.12Å; C108-L117 HydrophobicContact CB-CD2 4.26Å; V110-L117 HydrophobicContact CG2-CD2 3.95Å; N115-L117 HydrophobicContact CB-CD1 3.82Å; N115-L117 HydrophobicContact CB-CG 4.01Å; L117-V119 PolarHBondContact O-N 2.89Å | ||
| 118 | E | 95.2 | Very high | 95.9 | Very high | 115 Ų | 115 | 43.5 Ų | 43.5 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | trans | -78.6 | 72.2 | 173.7 | -59.2 | 174.2 | 158.3 | 0 | 0 | 109.3 | Q116 K561 | Q116-E118 PolarHBondContact NE2-OE2 3.13Å; Q116-E118 VanDerWaalsContact NE2-OE2 3.17Å; E118-K561 IonicContact OE1-NZ 3.83Å; E118-K561 PolarHBondContact OE1-NZ 3.25Å; E118-K561 IonicContact OE2-NZ 2.76Å; E118-K561 PolarHBondContact OE2-NZ 3.26Å | ||
| 119 | V | 95.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | trans | -63 | 137.2 | -178.3 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | L51 R54 L102 C106 L117 L123 | L51-V119 HydrophobicContact CD2-CG2 3.88Å; R54-V119 VanDerWaalsContact NH1-C 3.33Å; R54-V119 VanDerWaalsContact NH1-CB 3.34Å; R54-V119 PolarHBondContact NH1-O 2.95Å; L102-V119 HydrophobicContact CD2-CG2 4.12Å; C106-V119 HydrophobicContact CB-CG1 4.39Å; L117-V119 PolarHBondContact O-N 2.89Å; V119-L123 HydrophobicContact CG1-CD2 3.29Å | ||
| 120 | P | 94.9 | Very high | 95.8 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | trans | -63.7 | 149.5 | 177 | -22.3 | 32.6 | 0 | 0 | 0 | 113 | R54 C106 P122 P124 | R54-P120 PolarHBondContact NH2-O 3.31Å; C106-P120 HydrophobicContact CB-CG 4.37Å; P120-P122 CarbonylContact C-O 3.58Å; P120-P122 CarbonylContact O-C 3.49Å; P120-P124 HydrophobicContact CB-CG 4.29Å; P120-P124 HydrophobicContact CG-CG 4.06Å | ||
| 121 | S | 93.1 | Very high | 95.8 | Very high | 108 Ų | 108 | 54.1 Ų | 54.1 | 76% | 0.755 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -127.1 | 114.3 | 173.7 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 122 | P | 93.3 | Very high | 95.7 | Very high | 90 Ų | 90 | 54.3 Ų | 54.3 | 58% | 0.584 | 31% | 0.312 | S | S | * | . | S | Bend | cis | -70.8 | 167 | 1.9 | 31.9 | -36.9 | 0 | 0 | 0 | 113.4 | P120 | P120-P122 CarbonylContact C-O 3.58Å; P120-P122 CarbonylContact O-C 3.49Å |
| 123 | L | 96.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 136.3 | 171.7 | -75.1 | -177.3 | 0 | 0 | 0 | 111.5 | E57 F58 I84 Y101 V119 Q125 | E57-L123 HydrophobicContact CB-CD1 3.61Å; E57-L123 HydrophobicContact CB-CG 4.4Å; E57-L123 WeakPolarHBondContact OE2-CG 3.2Å; F58-L123 HydrophobicContact CE1-CD1 4.49Å; F58-L123 HydrophobicContact CE2-CD1 4.11Å; F58-L123 HydrophobicContact CZ-CD1 4.01Å; F58-L123 HydrophobicContact CZ-CD2 4.47Å; I84-L123 HydrophobicContact CG1-CD1 3.83Å; Y101-L123 HydrophobicContact CE1-CD2 4.43Å; V119-L123 HydrophobicContact CG1-CD2 3.29Å; L123-Q125 PolarHBondContact O-N 3.31Å; L123-Q125 PolarHBondContact O-NE2 2.65Å; L123-Q125 VanDerWaalsContact O-NE2 3.07Å |
| 124 | P | 96.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 21% | 0.214 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 130.3 | 175 | -24.2 | 32.5 | 0 | 0 | 0 | 112.2 | Y101 F105 P120 | Y101-P124 WeakPolarHBondContact OH-CD 3.47Å; Y101-P124 PolarHBondContact OH-O 2.72Å; F105-P124 HydrophobicContact CB-CB 4.07Å; F105-P124 HydrophobicContact CB-CG 4.29Å; F105-P124 VanDerWaalsContact O-CG 3.3Å; F105-P124 WeakPolarHBondContact O-CG 3.44Å; P120-P124 HydrophobicContact CB-CG 4.29Å; P120-P124 HydrophobicContact CG-CG 4.06Å |
| 125 | Q | 95.4 | Very high | 95.5 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 144.9 | -177.4 | -62.4 | -60.1 | -55.4 | 0 | 0 | 111.9 | S78 L123 | S78-Q125 WeakPolarHBondContact OG-CA 3.37Å; S78-Q125 PolarHBondContact OG-OE1 3.36Å; L123-Q125 PolarHBondContact O-N 3.31Å; L123-Q125 PolarHBondContact O-NE2 2.65Å; L123-Q125 VanDerWaalsContact O-NE2 3.07Å |
| 126 | L | 95.9 | Very high | 95.4 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 131.5 | 173 | -67.1 | 173.9 | 0 | 0 | 0 | 110.6 | L76 S78 I84 Y101 F105 G128 L130 | L76-L126 HydrophobicContact CB-CD1 3.71Å; S78-L126 PolarHBondContact OG-N 3.47Å; I84-L126 HydrophobicContact CD1-CD1 4.44Å; Y101-L126 HydrophobicContact CD2-CD1 4.25Å; Y101-L126 HydrophobicContact CD2-CD2 4.02Å; Y101-L126 HydrophobicContact CD2-CG 4.28Å; Y101-L126 HydrophobicContact CE2-CD1 4.38Å; Y101-L126 HydrophobicContact CE2-CD2 4.05Å; Y101-L126 HydrophobicContact CE2-CG 4.07Å; F105-L126 HydrophobicContact CD1-CD2 3.96Å; F105-L126 HydrophobicContact CD2-CD2 4.35Å; F105-L126 HydrophobicContact CE1-CD2 3.45Å; F105-L126 VanDerWaalsContact CE1-CD2 3.45Å; F105-L126 HydrophobicContact CE2-CD2 3.9Å; F105-L126 HydrophobicContact CG-CD2 4.38Å; F105-L126 HydrophobicContact CZ-CD2 3.41Å; F105-L126 VanDerWaalsContact CZ-CD2 3.41Å; L126-G128 PolarHBondContact O-N 2.88Å; L126-L130 HydrophobicContact CD1-CB 4.1Å; L126-L130 HydrophobicContact CD2-CB 4.31Å; L126-L130 HydrophobicContact CD2-CD2 4.32Å |
| 127 | T | 92.5 | Very high | 95.4 | Very high | 156 Ų | 156 | 54.5 Ų | 54.5 | 96% | 0.957 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -82 | 98.4 | 168.6 | -49 | 0 | 0 | 0 | 0 | 109 | ||
| 128 | G | 93.8 | Very high | 95.5 | Very high | 50 Ų | 50 | 52.2 Ų | 52.2 | 52% | 0.515 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 84.6 | -144.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L126 | L126-G128 PolarHBondContact O-N 2.88Š|
| 129 | V | 97.1 | Very high | 95.6 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 47% | 0.473 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119.3 | -179.3 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | E75 L76 R77 R131 | E75-V129 HydrophobicContact CB-CG1 3.83Å; E75-V129 HydrophobicContact CG-CG1 3.95Å; L76-V129 CarbonylContact O-C 3.56Å; L76-V129 WeakPolarHBondContact O-CA 3.4Å; R77-V129 HydrophobicContact CB-CG2 4.35Å; V129-R131 PolarHBondContact O-N 3.39Å |
| 130 | L | 97.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 23% | 0.225 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 109.6 | 166.8 | 175.4 | 63.7 | 0 | 0 | 0 | 108.2 | E75 L76 F105 L126 I132 | E75-L130 CarbonylContact C-O 3.59Å; E75-L130 WeakPolarHBondContact CA-O 3.42Å; L76-L130 HydrophobicContact CB-CB 4.36Å; L76-L130 PolarHBondContact N-O 3.03Å; L76-L130 PolarHBondContact O-N 3.1Å; F105-L130 HydrophobicContact CE2-CD2 3.85Å; F105-L130 HydrophobicContact CZ-CD2 4.44Å; L126-L130 HydrophobicContact CD1-CB 4.1Å; L126-L130 HydrophobicContact CD2-CB 4.31Å; L126-L130 HydrophobicContact CD2-CD2 4.32Å; L130-I132 HydrophobicContact CD1-CG1 4.43Å; L130-I132 HydrophobicContact CD2-CD1 4.18Å; L130-I132 HydrophobicContact CG-CD1 4.24Å; L130-I132 HydrophobicContact CG-CG1 4.2Å |
| 131 | R | 97.1 | Very high | 96 | Very high | 114 Ų | 114 | 44 Ų | 44 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 124.4 | 176.3 | -174.4 | 173.2 | 176.2 | 98.1 | -0.7 | 110.1 | V73 C74 E75 V129 | V73-R131 HydrophobicContact CG1-CG 4.15Å; C74-R131 CarbonylContact O-C 2.89Å; C74-R131 WeakPolarHBondContact O-CA 3.3Å; E75-R131 HydrophobicContact CG-CB 4.2Å; E75-R131 HydrophobicContact CG-CG 3.97Å; E75-R131 IonicContact OE1-CZ 3.92Å; E75-R131 IonicContact OE1-NH1 3.04Å; E75-R131 PolarHBondContact OE1-NH1 3.07Å; V129-R131 PolarHBondContact O-N 3.39Å |
| 132 | I | 96.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.5 | 179.4 | -57.9 | 159.2 | 0 | 0 | 0 | 107.1 | V73 C74 L76 N100 L130 W472 | V73-I132 CarbonylContact C-O 3.56Å; V73-I132 WeakPolarHBondContact CA-O 3.45Å; C74-I132 PolarHBondContact N-O 3.25Å; C74-I132 PolarHBondContact O-N 3.37Å; L76-I132 HydrophobicContact CD1-CD1 4.1Å; N100-I132 HydrophobicContact CB-CD1 3.49Å; N100-I132 VanDerWaalsContact CB-CD1 3.49Å; L130-I132 HydrophobicContact CD1-CG1 4.43Å; L130-I132 HydrophobicContact CD2-CD1 4.18Å; L130-I132 HydrophobicContact CG-CD1 4.24Å; L130-I132 HydrophobicContact CG-CG1 4.2Å; I132-W472 HydrophobicContact CG2-CB 4.36Å; I132-W472 HydrophobicContact CG2-CD2 4.26Å; I132-W472 HydrophobicContact CG2-CE3 3.7Å; I132-W472 HydrophobicContact CG2-CZ3 4.35Å |
| 133 | N | 95.3 | Very high | 96.4 | Very high | 51 Ų | 51 | 35 Ų | 35 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144.6 | -179.5 | 73 | -72.2 | 0 | 0 | 0 | 111 | D72 V73 | D72-N133 WeakPolarHBondContact O-CA 3.3Å; V73-N133 HydrophobicContact CG2-CB 3.9Å |
| 134 | T | 95.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -97 | 144.4 | 177.7 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | D72 H136 A471 W472 | D72-T134 HydrophobicContact CB-CG2 3.76Å; D72-T134 PolarHBondContact O-N 2.92Å; D72-T134 VanDerWaalsContact O-N 3.14Å; T134-H136 WeakPolarHBondContact CG2-O 3.12Å; T134-H136 WeakPolarHBondContact OG1-CB 3.48Å; T134-H136 PolarHBondContact OG1-N 3.25Å; T134-H136 PolarHBondContact OG1-O 2.99Å; T134-A471 WeakPolarHBondContact CB-O 3.42Å; T134-A471 PolarHBondContact OG1-O 2.79Å; T134-W472 HydrophobicContact CG2-CE3 4.31Å; T134-W472 HydrophobicContact CG2-CH2 4.41Å; T134-W472 HydrophobicContact CG2-CZ3 4.04Å | ||
| 135 | P | 93.8 | Very high | 96.6 | Very high | 42 Ų | 42 | 33.8 Ų | 33.8 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -81.8 | -1.9 | 166.5 | 34.6 | -33.7 | 0 | 0 | 0 | 112.7 | ||
| 136 | H | 95.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | trans | -109.4 | 129.6 | -171.2 | -58.7 | -61 | 0 | 0 | 0 | 111.7 | T134 A471 | T134-H136 WeakPolarHBondContact CG2-O 3.12Å; T134-H136 WeakPolarHBondContact OG1-CB 3.48Å; T134-H136 PolarHBondContact OG1-N 3.25Å; T134-H136 PolarHBondContact OG1-O 2.99Å; H136-A471 PolarHBondContact CD2-O 3.45Å | ||
| 137 | R | 96.1 | Very high | 96.8 | Very high | 27 Ų | 27 | 29.7 Ų | 29.7 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -67.1 | -43.4 | 175.1 | -172.2 | 175.6 | -174.3 | 135.8 | 17.5 | 111 | L27 D28 I30 N172 V448 | L27-R137 VanDerWaalsContact O-CZ 3.26Å; L27-R137 PolarHBondContact O-NH2 2.94Å; D28-R137 IonicContact OD1-CZ 3.72Å; D28-R137 IonicContact OD1-NH1 3.67Å; D28-R137 PolarHBondContact OD1-NH1 2.86Å; D28-R137 IonicContact OD1-NH2 3.27Å; I30-R137 PolarHBondContact O-NH2 3.26Å; R137-N172 PolarHBondContact O-ND2 3.03Å; R137-V448 WeakPolarHBondContact CB-O 3.45Å; R137-V448 PolarHBondContact N-O 2.68Å; R137-V448 VanDerWaalsContact N-O 3.1Å |
| 138 | F | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.9 | -179 | -57.7 | -62 | 0 | 0 | 0 | 113.1 | L27 I30 N172 L173 I248 I388 I412 V448 G449 I450 | L27-F138 HydrophobicContact CD1-CE2 4.23Å; I30-F138 HydrophobicContact CB-CZ 4.45Å; I30-F138 HydrophobicContact CG2-CE1 3.85Å; I30-F138 HydrophobicContact CG2-CZ 3.94Å; F138-N172 WeakPolarHBondContact CA-OD1 3.18Å; F138-L173 HydrophobicContact CB-CB 4.4Å; F138-L173 HydrophobicContact CB-CD2 4.04Å; F138-L173 HydrophobicContact CD1-CB 4.2Å; F138-L173 HydrophobicContact CD1-CD1 4.35Å; F138-L173 HydrophobicContact CD1-CD2 4.05Å; F138-L173 HydrophobicContact CD1-CG 4.45Å; F138-L173 HydrophobicContact CG-CD2 3.96Å; F138-I248 HydrophobicContact CE1-CD1 4.29Å; F138-I388 HydrophobicContact CD2-CD1 4.37Å; F138-I388 HydrophobicContact CE2-CD1 3.87Å; F138-I412 HydrophobicContact CB-CD1 3.94Å; F138-I412 HydrophobicContact CD2-CD1 4.49Å; F138-V448 HydrophobicContact CD2-CB 4.23Å; F138-V448 HydrophobicContact CD2-CG2 3.97Å; F138-V448 HydrophobicContact CE2-CG2 4.38Å; F138-V448 PolarHBondContact N-O 2.76Å; F138-G449 CarbonylContact O-C 3.59Å; F138-G449 WeakPolarHBondContact O-CA 3.49Å; F138-I450 PolarHBondContact O-N 3.3Å; F138-I450 VanDerWaalsContact O-N 3.07Å |
| 139 | R | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 99.5 | 163.7 | -69.2 | 86.1 | 61.7 | -159.6 | -5 | 107.2 | D72 G170 I171 N172 L173 I450 A471 | D72-R139 IonicContact OD2-CZ 3.61Å; D72-R139 IonicContact OD2-NH1 3.05Å; D72-R139 PolarHBondContact OD2-NH1 3.5Å; D72-R139 IonicContact OD2-NH2 3.72Å; D72-R139 PolarHBondContact OD2-NH2 3.45Å; R139-G170 WeakPolarHBondContact CB-O 3.45Å; R139-G170 PolarHBondContact NE-O 3Å; R139-G170 PolarHBondContact NH2-O 3.09Å; R139-I171 HydrophobicContact CB-CD1 4.15Å; R139-N172 PolarHBondContact N-OD1 3.21Å; R139-N172 PolarHBondContact NH1-ND2 2.76Å; R139-N172 VanDerWaalsContact NH1-ND2 3.19Å; R139-N172 PolarHBondContact O-N 2.88Å; R139-N172 VanDerWaalsContact O-N 3.09Å; R139-N172 PolarHBondContact O-OD1 3.35Å; R139-L173 PolarHBondContact O-N 2.65Å; R139-I450 CarbonylContact C-O 3.5Å; R139-I450 VanDerWaalsContact CA-O 3.25Å; R139-I450 WeakPolarHBondContact CA-O 3.3Å; R139-A471 HydrophobicContact CG-CB 3.55Å |
| 140 | Y | 98.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 145.4 | -173.4 | 176.8 | -102.5 | 0 | 0 | 0 | 111.5 | Q142 L173 L357 L390 I450 G451 M452 T453 | Y140-Q142 WeakPolarHBondContact CE1-O 3.3Å; Y140-Q142 PolarHBondContact OH-O 2.89Å; Y140-L173 WeakPolarHBondContact CA-O 3.38Å; Y140-L173 HydrophobicContact CD2-CB 4.45Å; Y140-L173 HydrophobicContact CD2-CD2 4.01Å; Y140-L173 HydrophobicContact CD2-CG 4.06Å; Y140-L173 WeakPolarHBondContact CD2-O 3.26Å; Y140-L357 HydrophobicContact CD2-CD2 4.06Å; Y140-L357 HydrophobicContact CE2-CD2 3.57Å; Y140-L390 HydrophobicContact CD1-CD1 4.26Å; Y140-L390 HydrophobicContact CD1-CD2 3.76Å; Y140-L390 HydrophobicContact CD2-CD2 4.23Å; Y140-L390 HydrophobicContact CE1-CD1 3.57Å; Y140-L390 HydrophobicContact CE1-CD2 3.95Å; Y140-L390 HydrophobicContact CE1-CG 4.41Å; Y140-L390 HydrophobicContact CE2-CD1 4.26Å; Y140-L390 HydrophobicContact CE2-CD2 4.45Å; Y140-L390 HydrophobicContact CG-CD2 3.92Å; Y140-I450 PolarHBondContact N-O 3.06Å; Y140-G451 CarbonylContact O-C 3.16Å; Y140-G451 WeakPolarHBondContact O-CA 3.38Å; Y140-M452 PolarHBondContact O-N 3.16Å; Y140-T453 HydrophobicContact CD1-CG2 3.81Å; Y140-T453 HydrophobicContact CE1-CG2 3.52Å |
| 141 | Y | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 137 | 171.9 | 177.9 | -133.5 | 0 | 0 | 0 | 112.4 | W112 E162 W165 M166 L173 L175 M452 P454 I457 | W112-Y141 WeakPolarHBondContact CZ2-OH 3.38Å; Y141-E162 HydrophobicContact CE1-CG 4.34Å; Y141-E162 WeakPolarHBondContact CE1-OE1 3.44Å; Y141-E162 PolarHBondContact OH-OE1 2.68Å; Y141-W165 HydrophobicContact CD1-CZ3 4.46Å; Y141-W165 HydrophobicContact CE1-CZ3 4.07Å; Y141-W165 HydrophobicContact CE2-CZ3 4.45Å; Y141-M166 HydrophobicContact CD1-CE 3.55Å; Y141-M166 HydrophobicContact CD1-CG 3.68Å; Y141-M166 HydrophobicContact CD1-SD 4.04Å; Y141-M166 HydrophobicContact CE1-CE 3.54Å; Y141-M166 HydrophobicContact CE1-CG 4Å; Y141-M166 HydrophobicContact CE1-SD 4.46Å; Y141-L173 PolarHBondContact N-O 3Å; Y141-L175 PolarHBondContact O-N 3.23Å; Y141-L175 VanDerWaalsContact O-N 3.13Å; Y141-M452 WeakPolarHBondContact CA-O 3.06Å; Y141-M452 HydrophobicContact CD2-CB 4.05Å; Y141-P454 HydrophobicContact CE2-CG 4.39Å; Y141-I457 HydrophobicContact CE2-CG2 4.36Å; Y141-I457 WeakPolarHBondContact OH-CG2 3.13Å |
| 142 | Q | 97.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.009 | 6% | 0.055 | C | C | . | . | trans | 109.5 | 143.4 | 167.7 | -60.9 | 160.6 | 62.3 | 0 | 0 | 112.9 | Y140 F151 L175 M452 | Y140-Q142 WeakPolarHBondContact CE1-O 3.3Å; Y140-Q142 PolarHBondContact OH-O 2.89Å; Q142-F151 HydrophobicContact CG-CE2 3.85Å; Q142-F151 HydrophobicContact CG-CZ 4Å; Q142-F151 VanDerWaalsContact OE1-CE2 3.3Å; Q142-L175 HydrophobicContact CB-CB 3.9Å; Q142-L175 PolarHBondContact NE2-O 3.29Å; Q142-L175 PolarHBondContact OE1-O 3.33Å; Q142-M452 PolarHBondContact N-O 3.32Å | ||
| 143 | N | 98.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 9.6 Ų | 9.6 | 3% | 0.027 | 5% | 0.052 | C | C | . | . | trans | -91.2 | 155 | 162.3 | -161.9 | -59 | 0 | 0 | 0 | 108.5 | C145 T146 T453 P454 | N143-C145 HydrophobicContact CB-CB 4.38Å; N143-C145 PolarHBondContact O-N 2.83Å; N143-C145 WeakPolarHBondContact OD1-CB 3.37Å; N143-C145 PolarHBondContact OD1-N 3.36Å; N143-C145 PolarHBondContact OD1-SG 2.97Å; N143-T146 WeakPolarHBondContact CA-OG1 3.49Å; N143-T146 WeakPolarHBondContact CB-OG1 3.5Å; N143-T146 PolarHBondContact N-OG1 3.2Å; N143-T146 PolarHBondContact O-N 2.82Å; N143-T146 VanDerWaalsContact O-N 3.1Å; N143-T146 PolarHBondContact O-OG1 2.9Å; N143-T453 WeakPolarHBondContact CB-O 3.48Å; N143-T453 PolarHBondContact ND2-O 3.02Å; N143-P454 VanDerWaalsContact CB-O 3.24Å; N143-P454 WeakPolarHBondContact CB-O 3.41Å | ||
| 144 | V | 97.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 7.3 Ų | 7.3 | 3% | 0.03 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.6 | 166.9 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | V147 L175 F177 A209 M213 Q359 | V144-V147 WeakPolarHBondContact O-CG2 3.42Å; V144-L175 HydrophobicContact CG1-CD2 4.03Å; V144-F177 HydrophobicContact CG1-CE2 3.95Å; V144-A209 VanDerWaalsContact O-CB 3.3Å; V144-A209 WeakPolarHBondContact O-CB 3.21Å; V144-M213 HydrophobicContact CG2-CE 3.98Å; V144-M213 HydrophobicContact CG2-CG 4.14Å; V144-M213 HydrophobicContact CG2-SD 3.39Å; V144-M213 WeakPolarHBondContact CG2-SD 3.49Å; V144-Q359 VanDerWaalsContact CG2-OE1 3.26Å |
| 145 | C | 98.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 10.9 Ų | 10.9 | 5% | 0.047 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -28.8 | 174.7 | -63.9 | 0 | 0 | 0 | 0 | 113.9 | N143 V147 S148 Y149 E455 | N143-C145 HydrophobicContact CB-CB 4.38Å; N143-C145 PolarHBondContact O-N 2.83Å; N143-C145 WeakPolarHBondContact OD1-CB 3.37Å; N143-C145 PolarHBondContact OD1-N 3.36Å; N143-C145 PolarHBondContact OD1-SG 2.97Å; C145-V147 PolarHBondContact O-N 2.89Å; C145-V147 VanDerWaalsContact O-N 3.16Å; C145-S148 PolarHBondContact O-N 2.91Å; C145-Y149 HydrophobicContact CB-CD2 4.06Å; C145-Y149 HydrophobicContact CB-CE2 4.21Å; C145-Y149 PolarHBondContact O-N 3.34Å; C145-Y149 VanDerWaalsContact O-N 3.08Å; C145-E455 CarbonylContact C-O 3.42Å; C145-E455 HydrophobicContact CB-CB 3.79Å; C145-E455 HydrophobicContact CB-CG 3.8Å |
| 146 | T | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.4 | -28.9 | -175.4 | -28.4 | 0 | 0 | 0 | 0 | 112.5 | N143 S148 S150 F151 P454 E455 I457 | N143-T146 WeakPolarHBondContact CA-OG1 3.49Å; N143-T146 WeakPolarHBondContact CB-OG1 3.5Å; N143-T146 PolarHBondContact N-OG1 3.2Å; N143-T146 PolarHBondContact O-N 2.82Å; N143-T146 VanDerWaalsContact O-N 3.1Å; N143-T146 PolarHBondContact O-OG1 2.9Å; T146-S148 PolarHBondContact O-N 3.44Å; T146-S150 PolarHBondContact O-N 2.97Å; T146-F151 HydrophobicContact CG2-CD1 4.35Å; T146-F151 HydrophobicContact CG2-CE1 3.56Å; T146-F151 HydrophobicContact CG2-CE2 3.72Å; T146-F151 HydrophobicContact CG2-CZ 3.2Å; T146-F151 WeakPolarHBondContact O-CG 3.25Å; T146-F151 PolarHBondContact O-N 3.14Å; T146-P454 PolarHBondContact OG1-O 2.63Å; T146-E455 WeakPolarHBondContact CA-O 3.49Å; T146-E455 PolarHBondContact N-O 2.82Å; T146-I457 HydrophobicContact CG2-CG1 4.34Å; T146-I457 HydrophobicContact CG2-CG2 3.92Å |
| 147 | V | 97.3 | Very high | 98.2 | Very high | 16 Ų | 16 | 14.1 Ų | 14.1 | 10% | 0.097 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -59.5 | -31.7 | 175.7 | -50.4 | 0 | 0 | 0 | 0 | 112.5 | V144 C145 F151 V152 F177 A209 | V144-V147 WeakPolarHBondContact O-CG2 3.42Å; C145-V147 PolarHBondContact O-N 2.89Å; C145-V147 VanDerWaalsContact O-N 3.16Å; V147-F151 HydrophobicContact CB-CD2 4.48Å; V147-F151 HydrophobicContact CG1-CD2 4.29Å; V147-V152 WeakPolarHBondContact O-CA 3.36Å; V147-V152 WeakPolarHBondContact O-CB 3.07Å; V147-V152 PolarHBondContact O-N 3.26Å; V147-F177 HydrophobicContact CG1-CB 4.29Å; V147-A209 HydrophobicContact CG2-CB 4.03Å |
| 148 | S | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.007 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -95.6 | -48.5 | -176.5 | -79.5 | 0 | 0 | 0 | 0 | 111 | C145 T146 S150 V152 A206 L208 A209 Q653 | C145-S148 PolarHBondContact O-N 2.91Å; T146-S148 PolarHBondContact O-N 3.44Å; S148-S150 VanDerWaalsContact C-N 3.34Å; S148-S150 PolarHBondContact O-N 2.92Å; S148-V152 WeakPolarHBondContact O-CG1 3.36Å; S148-A206 VanDerWaalsContact CB-O 3.26Å; S148-A206 WeakPolarHBondContact CB-O 3.13Å; S148-A206 PolarHBondContact OG-O 2.95Å; S148-L208 PolarHBondContact OG-N 2.81Å; S148-A209 WeakPolarHBondContact OG-CB 3.1Å; S148-A209 PolarHBondContact OG-N 3.49Å; S148-Q653 PolarHBondContact O-NE2 2.98Å |
| 149 | Y | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 2% | 0.024 | 8% | 0.075 | C | C | . | . | I | π-helix | trans | -79.9 | -12.1 | -175.4 | -66.7 | -50.3 | 0 | 0 | 0 | 115 | C145 W210 E455 Q653 W657 Y666 A667 | C145-Y149 HydrophobicContact CB-CD2 4.06Å; C145-Y149 HydrophobicContact CB-CE2 4.21Å; C145-Y149 PolarHBondContact O-N 3.34Å; C145-Y149 VanDerWaalsContact O-N 3.08Å; Y149-W210 HydrophobicContact CD1-CH2 4.09Å; Y149-W210 HydrophobicContact CD2-CH2 4.05Å; Y149-W210 HydrophobicContact CD2-CZ2 4.23Å; Y149-W210 AromaticContact CE1-CH2 3.42Å; Y149-W210 HydrophobicContact CE1-CH2 3.42Å; Y149-W210 VanDerWaalsContact CE1-CH2 3.42Å; Y149-W210 HydrophobicContact CE1-CZ2 4.07Å; Y149-W210 HydrophobicContact CE1-CZ3 4.34Å; Y149-W210 AromaticContact CE2-CH2 3.44Å; Y149-W210 HydrophobicContact CE2-CH2 3.44Å; Y149-W210 VanDerWaalsContact CE2-CH2 3.44Å; Y149-W210 AromaticContact CE2-CZ2 3.32Å; Y149-W210 HydrophobicContact CE2-CZ2 3.32Å; Y149-W210 HydrophobicContact CG-CH2 4.37Å; Y149-W210 AromaticContact CZ-CH2 3.07Å; Y149-W210 AromaticContact CZ-CZ2 3.22Å; Y149-W210 WeakPolarHBondContact OH-CH2 3.42Å; Y149-W210 WeakPolarHBondContact OH-CZ2 3.34Å; Y149-E455 HydrophobicContact CD2-CB 3.99Å; Y149-E455 WeakPolarHBondContact CD2-O 3.31Å; Y149-E455 HydrophobicContact CE2-CB 4.25Å; Y149-Q653 HydrophobicContact CD1-CG 3.97Å; Y149-Q653 HydrophobicContact CE1-CG 3.9Å; Y149-W657 AromaticContact CE1-NE1 3.82Å; Y149-W657 AromaticContact CZ-NE1 3.76Å; Y149-W657 PolarHBondContact OH-NE1 2.84Å; Y149-Y666 HydrophobicContact CE2-CD1 4.49Å; Y149-Y666 AromaticContact CE2-CE1 3.99Å; Y149-Y666 HydrophobicContact CE2-CE1 3.99Å; Y149-Y666 AromaticContact CZ-CD1 3.88Å; Y149-Y666 AromaticContact CZ-CE1 3.81Å; Y149-Y666 WeakPolarHBondContact OH-CD1 3.34Å; Y149-Y666 WeakPolarHBondContact OH-CE1 3.43Å; Y149-A667 HydrophobicContact CD1-CB 3.69Å; Y149-A667 HydrophobicContact CE1-CB 3.24Å |
| 150 | S | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 16.2 Ų | 16.2 | 6% | 0.056 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -134.3 | -49.4 | -179.3 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | T146 S148 W154 G456 I457 | T146-S150 PolarHBondContact O-N 2.97Å; S148-S150 VanDerWaalsContact C-N 3.34Å; S148-S150 PolarHBondContact O-N 2.92Å; S150-W154 PolarHBondContact O-NE1 2.8Å; S150-G456 WeakPolarHBondContact OG-CA 3.26Å; S150-I457 PolarHBondContact OG-N 3.12Å; S150-I457 VanDerWaalsContact OG-N 3.09Å |
| 151 | F | 98.3 | Very high | 98.3 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 4% | 0.039 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -88 | -16.1 | -165.4 | -46.2 | -27.3 | 0 | 0 | 0 | 115 | Q142 T146 V147 W153 W154 W159 I457 | Q142-F151 HydrophobicContact CG-CE2 3.85Å; Q142-F151 HydrophobicContact CG-CZ 4Å; Q142-F151 VanDerWaalsContact OE1-CE2 3.3Å; T146-F151 HydrophobicContact CG2-CD1 4.35Å; T146-F151 HydrophobicContact CG2-CE1 3.56Å; T146-F151 HydrophobicContact CG2-CE2 3.72Å; T146-F151 HydrophobicContact CG2-CZ 3.2Å; T146-F151 WeakPolarHBondContact O-CG 3.25Å; T146-F151 PolarHBondContact O-N 3.14Å; V147-F151 HydrophobicContact CB-CD2 4.48Å; V147-F151 HydrophobicContact CG1-CD2 4.29Å; F151-W153 PolarHBondContact O-N 3.29Å; F151-W154 HydrophobicContact CB-CD2 4.13Å; F151-W154 HydrophobicContact CB-CE3 4.08Å; F151-W154 HydrophobicContact CB-CG 4.47Å; F151-W154 AromaticContact CD1-CD2 3.92Å; F151-W154 HydrophobicContact CD1-CD2 3.92Å; F151-W154 AromaticContact CD1-CE2 3.78Å; F151-W154 AromaticContact CD1-CE3 3.66Å; F151-W154 HydrophobicContact CD1-CE3 3.66Å; F151-W154 AromaticContact CD1-CH2 3.19Å; F151-W154 HydrophobicContact CD1-CH2 3.19Å; F151-W154 AromaticContact CD1-CZ2 3.45Å; F151-W154 HydrophobicContact CD1-CZ2 3.45Å; F151-W154 VanDerWaalsContact CD1-CZ2 3.45Å; F151-W154 AromaticContact CD1-CZ3 3.29Å; F151-W154 HydrophobicContact CD1-CZ3 3.29Å; F151-W154 HydrophobicContact CE1-CE3 4.39Å; F151-W154 AromaticContact CE1-CH2 3.24Å; F151-W154 HydrophobicContact CE1-CH2 3.24Å; F151-W154 AromaticContact CE1-CZ2 3.8Å; F151-W154 HydrophobicContact CE1-CZ2 3.8Å; F151-W154 AromaticContact CE1-CZ3 3.57Å; F151-W154 HydrophobicContact CE1-CZ3 3.57Å; F151-W154 HydrophobicContact CG-CD2 4.4Å; F151-W154 HydrophobicContact CG-CE3 4.06Å; F151-W154 HydrophobicContact CG-CH2 4.31Å; F151-W154 HydrophobicContact CG-CZ3 4Å; F151-W154 HydrophobicContact CZ-CH2 4.37Å; F151-W154 HydrophobicContact CZ-CZ3 4.46Å; F151-W154 VanDerWaalsContact O-CB 3.28Å; F151-W154 WeakPolarHBondContact O-CB 3.13Å; F151-W154 PolarHBondContact O-N 2.68Å; F151-W159 HydrophobicContact CB-CZ2 3.91Å; F151-W159 AromaticContact CD2-CH2 3.79Å; F151-W159 HydrophobicContact CD2-CH2 3.79Å; F151-W159 AromaticContact CD2-CZ2 3.8Å; F151-W159 HydrophobicContact CD2-CZ2 3.8Å; F151-W159 HydrophobicContact CE2-CH2 4.11Å; F151-W159 HydrophobicContact CG-CH2 4.28Å; F151-W159 AromaticContact CG-CZ2 3.96Å; F151-W159 HydrophobicContact CG-CZ2 3.96Å; F151-I457 HydrophobicContact CE1-CD1 3.81Å; F151-I457 HydrophobicContact CE1-CG1 4.05Å |
| 152 | V | 98.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -34.9 | -167.8 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | V147 S148 P205 W227 W629 | V147-V152 WeakPolarHBondContact O-CA 3.36Å; V147-V152 WeakPolarHBondContact O-CB 3.07Å; V147-V152 PolarHBondContact O-N 3.26Å; S148-V152 WeakPolarHBondContact O-CG1 3.36Å; V152-P205 VanDerWaalsContact CG2-C 3.46Å; V152-P205 HydrophobicContact CG2-CB 3.61Å; V152-P205 VanDerWaalsContact CG2-O 3.3Å; V152-P205 WeakPolarHBondContact CG2-O 3.4Å; V152-W227 HydrophobicContact CG2-CH2 3.82Å; V152-W227 WeakPolarHBondContact O-CH2 3.31Å; V152-W629 HydrophobicContact CG1-CH2 3.55Å; V152-W629 HydrophobicContact CG1-CZ2 4.08Å; V152-W629 HydrophobicContact CG1-CZ3 4.41Å |
| 153 | W | 98.3 | Very high | 98.4 | Very high | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 11.7 | -179.2 | -45.8 | 127.3 | 0 | 0 | 0 | 114.1 | F151 P205 A206 W227 W629 R632 A633 K636 Y646 N649 A650 | F151-W153 PolarHBondContact O-N 3.29Å; W153-P205 HydrophobicContact CH2-CB 3.67Å; W153-P205 HydrophobicContact CH2-CG 4.1Å; W153-P205 HydrophobicContact CZ3-CB 3.78Å; W153-P205 HydrophobicContact CZ3-CG 4.17Å; W153-A206 HydrophobicContact CZ2-CB 4.29Å; W153-W227 HydrophobicContact CE3-CZ3 4.33Å; W153-W227 HydrophobicContact CZ3-CZ3 4.04Å; W153-W629 AromaticContact CD1-CD2 3.77Å; W153-W629 AromaticContact CD1-CE2 3.66Å; W153-W629 AromaticContact CD1-CE3 3.7Å; W153-W629 AromaticContact CD1-CH2 3.45Å; W153-W629 VanDerWaalsContact CD1-CH2 3.45Å; W153-W629 AromaticContact CD1-CZ2 3.5Å; W153-W629 AromaticContact CD1-CZ3 3.54Å; W153-W629 AromaticContact NE1-CE2 3.45Å; W153-W629 AromaticContact NE1-CH2 3.59Å; W153-W629 AromaticContact NE1-CZ2 3.2Å; W153-R632 HydrophobicContact CB-CB 3.7Å; W153-A633 HydrophobicContact CD2-CB 3.55Å; W153-A633 VanDerWaalsContact CE2-CB 3.48Å; W153-A633 HydrophobicContact CE3-CB 4.02Å; W153-A633 HydrophobicContact CG-CB 3.87Å; W153-A633 HydrophobicContact CH2-CB 4.3Å; W153-A633 HydrophobicContact CZ2-CB 3.89Å; W153-A633 HydrophobicContact CZ3-CB 4.36Å; W153-K636 VanDerWaalsContact C-CE 3.48Å; W153-K636 HydrophobicContact CE3-CG 4.29Å; W153-K636 WeakPolarHBondContact O-CE 3.39Å; W153-Y646 HydrophobicContact CH2-CD1 4.07Å; W153-Y646 HydrophobicContact CH2-CG 4.07Å; W153-Y646 HydrophobicContact CZ3-CD1 4.06Å; W153-Y646 HydrophobicContact CZ3-CD2 4.32Å; W153-Y646 AromaticContact CZ3-CG 3.9Å; W153-Y646 HydrophobicContact CZ3-CG 3.9Å; W153-N649 HydrophobicContact CH2-CB 4.16Å; W153-N649 HydrophobicContact CZ2-CB 4.11Å; W153-A650 HydrophobicContact CZ2-CB 4.1Å |
| 154 | W | 98.3 | Very high | 98.4 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | trans | -73.4 | 140.9 | -178.5 | -72.8 | 8.4 | 0 | 0 | 0 | 112.6 | S150 F151 R158 W159 E162 I457 K636 | S150-W154 PolarHBondContact O-NE1 2.8Å; F151-W154 HydrophobicContact CB-CD2 4.13Å; F151-W154 HydrophobicContact CB-CE3 4.08Å; F151-W154 HydrophobicContact CB-CG 4.47Å; F151-W154 AromaticContact CD1-CD2 3.92Å; F151-W154 HydrophobicContact CD1-CD2 3.92Å; F151-W154 AromaticContact CD1-CE2 3.78Å; F151-W154 AromaticContact CD1-CE3 3.66Å; F151-W154 HydrophobicContact CD1-CE3 3.66Å; F151-W154 AromaticContact CD1-CH2 3.19Å; F151-W154 HydrophobicContact CD1-CH2 3.19Å; F151-W154 AromaticContact CD1-CZ2 3.45Å; F151-W154 HydrophobicContact CD1-CZ2 3.45Å; F151-W154 VanDerWaalsContact CD1-CZ2 3.45Å; F151-W154 AromaticContact CD1-CZ3 3.29Å; F151-W154 HydrophobicContact CD1-CZ3 3.29Å; F151-W154 HydrophobicContact CE1-CE3 4.39Å; F151-W154 AromaticContact CE1-CH2 3.24Å; F151-W154 HydrophobicContact CE1-CH2 3.24Å; F151-W154 AromaticContact CE1-CZ2 3.8Å; F151-W154 HydrophobicContact CE1-CZ2 3.8Å; F151-W154 AromaticContact CE1-CZ3 3.57Å; F151-W154 HydrophobicContact CE1-CZ3 3.57Å; F151-W154 HydrophobicContact CG-CD2 4.4Å; F151-W154 HydrophobicContact CG-CE3 4.06Å; F151-W154 HydrophobicContact CG-CH2 4.31Å; F151-W154 HydrophobicContact CG-CZ3 4Å; F151-W154 HydrophobicContact CZ-CH2 4.37Å; F151-W154 HydrophobicContact CZ-CZ3 4.46Å; F151-W154 VanDerWaalsContact O-CB 3.28Å; F151-W154 WeakPolarHBondContact O-CB 3.13Å; F151-W154 PolarHBondContact O-N 2.68Å; W154-R158 HydrophobicContact CB-CB 4.22Å; W154-R158 HydrophobicContact CB-CG 4.18Å; W154-R158 HydrophobicContact CD2-CB 4.29Å; W154-R158 HydrophobicContact CD2-CG 3.37Å; W154-R158 VanDerWaalsContact CE2-CG 3.49Å; W154-R158 HydrophobicContact CE3-CG 3.92Å; W154-R158 HydrophobicContact CG-CB 4.08Å; W154-R158 HydrophobicContact CG-CG 3.5Å; W154-R158 VanDerWaalsContact CH2-NH2 3.31Å; W154-R158 HydrophobicContact CZ2-CG 4.11Å; W154-R158 HydrophobicContact CZ3-CG 4.48Å; W154-W159 AromaticContact CE3-CD1 3.97Å; W154-W159 AromaticContact CE3-CD2 3.86Å; W154-W159 HydrophobicContact CE3-CD2 3.86Å; W154-W159 AromaticContact CE3-CE2 3.77Å; W154-W159 HydrophobicContact CE3-CE3 4.43Å; W154-W159 HydrophobicContact CE3-CG 4.03Å; W154-W159 HydrophobicContact CE3-CZ2 4.28Å; W154-W159 AromaticContact CE3-NE1 3.82Å; W154-W159 HydrophobicContact CZ3-CD2 4.28Å; W154-W159 HydrophobicContact CZ3-CE3 4.4Å; W154-E162 HydrophobicContact CH2-CB 4.12Å; W154-E162 HydrophobicContact CH2-CG 3.86Å; W154-E162 HydrophobicContact CZ3-CB 3.71Å; W154-E162 HydrophobicContact CZ3-CG 3.72Å; W154-I457 HydrophobicContact CH2-CD1 3.72Å; W154-I457 HydrophobicContact CZ2-CD1 3.87Å; W154-K636 WeakPolarHBondContact O-CE 3.45Å; W154-K636 PolarHBondContact O-NZ 3.3Å | ||
| 155 | D | 97.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 24 Ų | 24 | 40% | 0.396 | 12% | 0.118 | S | C | . | . | trans | -95.9 | -179.1 | 166.6 | 66 | -1.2 | 0 | 0 | 0 | 111 | P157 R158 W159 | D155-P157 VanDerWaalsContact CG-CD 3.45Å; D155-R158 PolarHBondContact O-N 3.12Å; D155-R158 WeakPolarHBondContact OD1-CB 3.2Å; D155-R158 PolarHBondContact OD1-N 3.27Å; D155-W159 PolarHBondContact O-N 2.82Å; D155-W159 VanDerWaalsContact O-N 3.11Å | ||
| 156 | W | 98.4 | Very high | 98.5 | Very high | 47 Ų | 47 | 23.7 Ų | 23.7 | 18% | 0.178 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 177.7 | 171.1 | -110.2 | 0 | 0 | 0 | 113.2 | R158 W159 E160 I163 L234 K237 I238 R241 | W156-R158 VanDerWaalsContact C-N 3.28Å; W156-R158 PolarHBondContact O-N 3.48Å; W156-W159 HydrophobicContact CE3-CB 4.1Å; W156-W159 HydrophobicContact CZ3-CB 4.31Å; W156-W159 CarbonylContact O-C 3.56Å; W156-W159 PolarHBondContact O-N 2.79Å; W156-W159 VanDerWaalsContact O-N 3.11Å; W156-E160 HydrophobicContact CH2-CB 4.39Å; W156-E160 HydrophobicContact CZ2-CB 3.99Å; W156-E160 WeakPolarHBondContact O-CB 3.5Å; W156-E160 PolarHBondContact O-N 3.29Å; W156-I163 HydrophobicContact CH2-CD1 4.47Å; W156-I163 HydrophobicContact CZ3-CD1 4.29Å; W156-L234 HydrophobicContact CB-CD1 4.09Å; W156-L234 HydrophobicContact CE3-CD1 4.21Å; W156-K237 HydrophobicContact CB-CD 4.07Å; W156-K237 HydrophobicContact CD2-CB 3.85Å; W156-K237 HydrophobicContact CD2-CD 3.6Å; W156-K237 HydrophobicContact CD2-CG 4.38Å; W156-K237 HydrophobicContact CE3-CB 3.41Å; W156-K237 VanDerWaalsContact CE3-CB 3.41Å; W156-K237 HydrophobicContact CE3-CD 3.98Å; W156-K237 HydrophobicContact CE3-CG 4.37Å; W156-K237 HydrophobicContact CG-CD 3.61Å; W156-K237 HydrophobicContact CH2-CB 3.93Å; W156-K237 WeakPolarHBondContact CH2-O 3.33Å; W156-K237 HydrophobicContact CZ2-CB 4.31Å; W156-K237 VanDerWaalsContact CZ3-C 3.47Å; W156-K237 HydrophobicContact CZ3-CB 3.47Å; W156-K237 VanDerWaalsContact CZ3-CB 3.47Å; W156-K237 WeakPolarHBondContact CZ3-O 3.47Å; W156-I238 HydrophobicContact CZ3-CG1 4.28Å; W156-R241 HydrophobicContact CH2-CB 3.7Å; W156-R241 HydrophobicContact CH2-CG 4.18Å |
| 157 | P | 98.4 | Very high | 98.5 | Very high | 69 Ų | 69 | 23.7 Ų | 23.7 | 45% | 0.448 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -51 | -41.8 | 174.7 | -31.1 | 34.2 | 0 | 0 | 0 | 114.7 | D155 K161 | D155-P157 VanDerWaalsContact CG-CD 3.45Å; P157-K161 WeakPolarHBondContact O-CG 3.46Å; P157-K161 PolarHBondContact O-N 3.12Å |
| 158 | R | 98.3 | Very high | 98.6 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 11% | 0.106 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70 | -40.1 | 176.5 | -178.6 | 62 | -170.1 | 83.4 | -4.2 | 112.4 | W154 D155 W156 K161 E162 E458 | W154-R158 HydrophobicContact CB-CB 4.22Å; W154-R158 HydrophobicContact CB-CG 4.18Å; W154-R158 HydrophobicContact CD2-CB 4.29Å; W154-R158 HydrophobicContact CD2-CG 3.37Å; W154-R158 VanDerWaalsContact CE2-CG 3.49Å; W154-R158 HydrophobicContact CE3-CG 3.92Å; W154-R158 HydrophobicContact CG-CB 4.08Å; W154-R158 HydrophobicContact CG-CG 3.5Å; W154-R158 VanDerWaalsContact CH2-NH2 3.31Å; W154-R158 HydrophobicContact CZ2-CG 4.11Å; W154-R158 HydrophobicContact CZ3-CG 4.48Å; D155-R158 PolarHBondContact O-N 3.12Å; D155-R158 WeakPolarHBondContact OD1-CB 3.2Å; D155-R158 PolarHBondContact OD1-N 3.27Å; W156-R158 VanDerWaalsContact C-N 3.28Å; W156-R158 PolarHBondContact O-N 3.48Å; R158-K161 PolarHBondContact O-N 3.41Å; R158-E162 IonicContact CZ-OE2 2.8Å; R158-E162 VanDerWaalsContact CZ-OE2 3.26Å; R158-E162 IonicContact NH1-OE2 2.79Å; R158-E162 PolarHBondContact NH1-OE2 2.93Å; R158-E162 IonicContact NH2-OE2 3.82Å; R158-E162 PolarHBondContact NH2-OE2 2.92Å; R158-E162 PolarHBondContact O-N 2.78Å; R158-E162 VanDerWaalsContact O-N 3.08Å; R158-E458 IonicContact CZ-OE1 3.59Å; R158-E458 IonicContact NE-OE1 3.53Å; R158-E458 PolarHBondContact NE-OE1 2.7Å; R158-E458 VanDerWaalsContact NE-OE1 3.13Å; R158-E458 IonicContact NH2-OE1 2.74Å; R158-E458 PolarHBondContact NH2-OE1 2.82Å |
| 159 | W | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.015 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.6 | -38.7 | 174.3 | -92.3 | 105.4 | 0 | 0 | 0 | 113 | F151 W154 D155 W156 K161 E162 I163 M166 L234 I238 M242 | F151-W159 HydrophobicContact CB-CZ2 3.91Å; F151-W159 AromaticContact CD2-CH2 3.79Å; F151-W159 HydrophobicContact CD2-CH2 3.79Å; F151-W159 AromaticContact CD2-CZ2 3.8Å; F151-W159 HydrophobicContact CD2-CZ2 3.8Å; F151-W159 HydrophobicContact CE2-CH2 4.11Å; F151-W159 HydrophobicContact CG-CH2 4.28Å; F151-W159 AromaticContact CG-CZ2 3.96Å; F151-W159 HydrophobicContact CG-CZ2 3.96Å; W154-W159 AromaticContact CE3-CD1 3.97Å; W154-W159 AromaticContact CE3-CD2 3.86Å; W154-W159 HydrophobicContact CE3-CD2 3.86Å; W154-W159 AromaticContact CE3-CE2 3.77Å; W154-W159 HydrophobicContact CE3-CE3 4.43Å; W154-W159 HydrophobicContact CE3-CG 4.03Å; W154-W159 HydrophobicContact CE3-CZ2 4.28Å; W154-W159 AromaticContact CE3-NE1 3.82Å; W154-W159 HydrophobicContact CZ3-CD2 4.28Å; W154-W159 HydrophobicContact CZ3-CE3 4.4Å; D155-W159 PolarHBondContact O-N 2.82Å; D155-W159 VanDerWaalsContact O-N 3.11Å; W156-W159 HydrophobicContact CE3-CB 4.1Å; W156-W159 HydrophobicContact CZ3-CB 4.31Å; W156-W159 CarbonylContact O-C 3.56Å; W156-W159 PolarHBondContact O-N 2.79Å; W156-W159 VanDerWaalsContact O-N 3.11Å; W159-K161 VanDerWaalsContact C-N 3.32Å; W159-K161 PolarHBondContact O-N 3.06Å; W159-E162 PolarHBondContact O-N 3.39Å; W159-E162 VanDerWaalsContact O-N 3.16Å; W159-I163 HydrophobicContact CE3-CD1 4.39Å; W159-I163 HydrophobicContact CE3-CG1 4.35Å; W159-I163 WeakPolarHBondContact O-CG1 3.28Å; W159-I163 PolarHBondContact O-N 3.17Å; W159-M166 HydrophobicContact CZ3-CE 4.12Å; W159-L234 HydrophobicContact CG-CD1 4.46Å; W159-I238 HydrophobicContact CB-CG1 4.24Å; W159-I238 HydrophobicContact CD2-CD1 3.48Å; W159-I238 VanDerWaalsContact CD2-CD1 3.48Å; W159-I238 HydrophobicContact CD2-CG1 3.83Å; W159-I238 VanDerWaalsContact CE2-CD1 3.48Å; W159-I238 HydrophobicContact CE3-CD1 3.95Å; W159-I238 HydrophobicContact CE3-CG1 4.04Å; W159-I238 HydrophobicContact CE3-CG2 4.45Å; W159-I238 HydrophobicContact CG-CD1 3.79Å; W159-I238 HydrophobicContact CG-CG1 3.94Å; W159-I238 HydrophobicContact CH2-CD1 4.37Å; W159-I238 HydrophobicContact CZ2-CD1 3.95Å; W159-I238 HydrophobicContact CZ3-CD1 4.37Å; W159-I238 HydrophobicContact CZ3-CG2 4.48Å; W159-M242 HydrophobicContact CZ3-CE 4.29Å |
| 160 | E | 98.8 | Very high | 98.6 | Very high | 43 Ų | 43 | 23 Ų | 23 | 20% | 0.201 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 175.5 | 168.8 | 163.4 | -114.7 | 0 | 0 | 111.2 | R49 W156 E162 I163 D164 R241 | R49-E160 IonicContact CZ-OE1 3.1Å; R49-E160 IonicContact NE-OE1 3.27Å; R49-E160 IonicContact NH1-OE1 3.67Å; R49-E160 PolarHBondContact NH1-OE1 2.6Å; W156-E160 HydrophobicContact CH2-CB 4.39Å; W156-E160 HydrophobicContact CZ2-CB 3.99Å; W156-E160 WeakPolarHBondContact O-CB 3.5Å; W156-E160 PolarHBondContact O-N 3.29Å; E160-E162 VanDerWaalsContact C-N 3.35Å; E160-I163 PolarHBondContact O-N 2.88Å; E160-D164 PolarHBondContact O-N 2.8Å; E160-R241 IonicContact OE1-CZ 2.74Å; E160-R241 IonicContact OE1-NH1 3.38Å; E160-R241 PolarHBondContact OE1-NH1 3.48Å; E160-R241 IonicContact OE1-NH2 2.76Å; E160-R241 PolarHBondContact OE1-NH2 3.02Å |
| 161 | K | 98.6 | Very high | 98.6 | Very high | 149 Ų | 149 | 22.8 Ų | 22.8 | 65% | 0.648 | 11% | 0.11 | S | C | * | . | H | α-helix | trans | -63.1 | -40.6 | 174.4 | -70.3 | -179.8 | -179.6 | -175.6 | 0 | 112.3 | P157 R158 W159 D164 W165 | P157-K161 WeakPolarHBondContact O-CG 3.46Å; P157-K161 PolarHBondContact O-N 3.12Å; R158-K161 PolarHBondContact O-N 3.41Å; W159-K161 VanDerWaalsContact C-N 3.32Å; W159-K161 PolarHBondContact O-N 3.06Å; K161-D164 PolarHBondContact O-N 3.14Å; K161-W165 PolarHBondContact O-N 2.9Å |
| 162 | E | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 178.5 | -163.8 | 67.4 | -167.2 | 0 | 0 | 111.5 | W112 Y141 W154 R158 W159 E160 D164 W165 M166 | W112-E162 PolarHBondContact NE1-OE1 2.94Å; W112-E162 VanDerWaalsContact NE1-OE1 3.11Å; W112-E162 PolarHBondContact NE1-OE2 2.82Å; Y141-E162 HydrophobicContact CE1-CG 4.34Å; Y141-E162 WeakPolarHBondContact CE1-OE1 3.44Å; Y141-E162 PolarHBondContact OH-OE1 2.68Å; W154-E162 HydrophobicContact CH2-CB 4.12Å; W154-E162 HydrophobicContact CH2-CG 3.86Å; W154-E162 HydrophobicContact CZ3-CB 3.71Å; W154-E162 HydrophobicContact CZ3-CG 3.72Å; R158-E162 IonicContact CZ-OE2 2.8Å; R158-E162 VanDerWaalsContact CZ-OE2 3.26Å; R158-E162 IonicContact NH1-OE2 2.79Å; R158-E162 PolarHBondContact NH1-OE2 2.93Å; R158-E162 IonicContact NH2-OE2 3.82Å; R158-E162 PolarHBondContact NH2-OE2 2.92Å; R158-E162 PolarHBondContact O-N 2.78Å; R158-E162 VanDerWaalsContact O-N 3.08Å; W159-E162 PolarHBondContact O-N 3.39Å; W159-E162 VanDerWaalsContact O-N 3.16Å; E160-E162 VanDerWaalsContact C-N 3.35Å; E162-D164 VanDerWaalsContact C-N 3.31Å; E162-D164 PolarHBondContact O-N 3.08Å; E162-W165 CarbonylContact O-C 3.51Å; E162-W165 WeakPolarHBondContact O-CB 3.49Å; E162-W165 PolarHBondContact O-N 3.25Å; E162-W165 VanDerWaalsContact O-N 3.15Å; E162-M166 HydrophobicContact CB-CE 4.45Å; E162-M166 HydrophobicContact CG-CE 3.64Å; E162-M166 VanDerWaalsContact O-CG 3.29Å; E162-M166 WeakPolarHBondContact O-CG 3.18Å; E162-M166 PolarHBondContact O-N 3.39Å |
| 163 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.9 | -32.6 | -179.2 | -60.5 | 159.8 | 0 | 0 | 0 | 111 | W156 W159 E160 M166 A167 I238 R241 M242 F245 M247 | W156-I163 HydrophobicContact CH2-CD1 4.47Å; W156-I163 HydrophobicContact CZ3-CD1 4.29Å; W159-I163 HydrophobicContact CE3-CD1 4.39Å; W159-I163 HydrophobicContact CE3-CG1 4.35Å; W159-I163 WeakPolarHBondContact O-CG1 3.28Å; W159-I163 PolarHBondContact O-N 3.17Å; E160-I163 PolarHBondContact O-N 2.88Å; I163-M166 HydrophobicContact CG1-SD 4.28Å; I163-M166 WeakPolarHBondContact O-CB 3.41Å; I163-M166 PolarHBondContact O-N 3.06Å; I163-A167 PolarHBondContact O-N 3.03Å; I163-I238 HydrophobicContact CD1-CG2 4.31Å; I163-R241 HydrophobicContact CB-CG 4.18Å; I163-R241 HydrophobicContact CD1-CB 4.09Å; I163-R241 HydrophobicContact CD1-CG 4.06Å; I163-R241 HydrophobicContact CG2-CG 3.72Å; I163-M242 HydrophobicContact CD1-CG 4.17Å; I163-M242 HydrophobicContact CG1-CE 4.22Å; I163-M242 HydrophobicContact CG1-CG 4.23Å; I163-M242 HydrophobicContact CG2-CG 4.17Å; I163-F245 HydrophobicContact CG2-CD2 3.74Å; I163-F245 HydrophobicContact CG2-CE2 3.85Å; I163-M247 HydrophobicContact CG2-CE 4.01Å; I163-M247 HydrophobicContact CG2-SD 4.06Å |
| 164 | D | 98.9 | Very high | 98.7 | Very high | 17 Ų | 17 | 22.4 Ų | 22.4 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 170 | -76.3 | -5.9 | 0 | 0 | 0 | 111.5 | L46 R49 E160 K161 E162 M166 A167 L168 R241 F245 | L46-D164 HydrophobicContact CD1-CB 3.94Å; L46-D164 HydrophobicContact CG-CB 4.15Å; R49-D164 IonicContact CZ-OD1 3.46Å; R49-D164 IonicContact CZ-OD2 3.34Å; R49-D164 VanDerWaalsContact CZ-OD2 3.3Å; R49-D164 IonicContact NE-OD1 3.52Å; R49-D164 IonicContact NE-OD2 2.92Å; R49-D164 PolarHBondContact NE-OD2 3.07Å; R49-D164 VanDerWaalsContact NH2-CG 3.29Å; R49-D164 IonicContact NH2-OD1 2.81Å; R49-D164 PolarHBondContact NH2-OD1 3.32Å; R49-D164 IonicContact NH2-OD2 3.13Å; R49-D164 PolarHBondContact NH2-OD2 3.06Å; E160-D164 PolarHBondContact O-N 2.8Å; K161-D164 PolarHBondContact O-N 3.14Å; E162-D164 VanDerWaalsContact C-N 3.31Å; E162-D164 PolarHBondContact O-N 3.08Å; D164-M166 PolarHBondContact O-N 3.1Å; D164-A167 PolarHBondContact O-N 3.28Å; D164-L168 WeakPolarHBondContact O-CG 3.36Å; D164-L168 PolarHBondContact O-N 3Å; D164-R241 IonicContact OD1-NH1 3.69Å; D164-F245 WeakPolarHBondContact OD1-CZ 3.36Å |
| 165 | W | 98.9 | Very high | 98.7 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 5% | 0.053 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 174.5 | 180 | 90.6 | 0 | 0 | 0 | 111.9 | W112 Y141 K161 E162 A167 L168 N169 M452 | W112-W165 HydrophobicContact CH2-CH2 4.09Å; W112-W165 HydrophobicContact CH2-CZ2 4.23Å; W112-W165 HydrophobicContact CZ2-CD2 4.46Å; W112-W165 HydrophobicContact CZ2-CE3 4.27Å; W112-W165 AromaticContact CZ2-CH2 3.68Å; W112-W165 HydrophobicContact CZ2-CH2 3.68Å; W112-W165 AromaticContact CZ2-CZ2 3.88Å; W112-W165 HydrophobicContact CZ2-CZ2 3.88Å; W112-W165 AromaticContact CZ2-CZ3 3.89Å; W112-W165 HydrophobicContact CZ2-CZ3 3.89Å; Y141-W165 HydrophobicContact CD1-CZ3 4.46Å; Y141-W165 HydrophobicContact CE1-CZ3 4.07Å; Y141-W165 HydrophobicContact CE2-CZ3 4.45Å; K161-W165 PolarHBondContact O-N 2.9Å; E162-W165 CarbonylContact O-C 3.51Å; E162-W165 WeakPolarHBondContact O-CB 3.49Å; E162-W165 PolarHBondContact O-N 3.25Å; E162-W165 VanDerWaalsContact O-N 3.15Å; W165-A167 PolarHBondContact O-N 2.93Å; W165-L168 PolarHBondContact O-N 3.33Å; W165-N169 PolarHBondContact NE1-ND2 3.06Å; W165-N169 VanDerWaalsContact NE1-ND2 3.15Å; W165-N169 WeakPolarHBondContact O-CB 3.37Å; W165-N169 PolarHBondContact O-N 3.11Å; W165-N169 PolarHBondContact O-ND2 3.14Å; W165-M452 HydrophobicContact CH2-CE 3.77Å; W165-M452 HydrophobicContact CH2-SD 4.4Å; W165-M452 HydrophobicContact CZ3-CE 4.24Å |
| 166 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.1 | -48.2 | 173.2 | -73.5 | 176.5 | -162.5 | 0 | 0 | 111.1 | Y141 W159 E162 I163 D164 N169 G170 I171 P174 M242 M247 | Y141-M166 HydrophobicContact CD1-CE 3.55Å; Y141-M166 HydrophobicContact CD1-CG 3.68Å; Y141-M166 HydrophobicContact CD1-SD 4.04Å; Y141-M166 HydrophobicContact CE1-CE 3.54Å; Y141-M166 HydrophobicContact CE1-CG 4Å; Y141-M166 HydrophobicContact CE1-SD 4.46Å; W159-M166 HydrophobicContact CZ3-CE 4.12Å; E162-M166 HydrophobicContact CB-CE 4.45Å; E162-M166 HydrophobicContact CG-CE 3.64Å; E162-M166 VanDerWaalsContact O-CG 3.29Å; E162-M166 WeakPolarHBondContact O-CG 3.18Å; E162-M166 PolarHBondContact O-N 3.39Å; I163-M166 HydrophobicContact CG1-SD 4.28Å; I163-M166 WeakPolarHBondContact O-CB 3.41Å; I163-M166 PolarHBondContact O-N 3.06Å; D164-M166 PolarHBondContact O-N 3.1Å; M166-N169 CarbonylContact O-C 3.52Å; M166-N169 PolarHBondContact O-N 3.41Å; M166-G170 PolarHBondContact O-N 2.96Å; M166-I171 HydrophobicContact CB-CB 3.89Å; M166-I171 HydrophobicContact CB-CG1 4.24Å; M166-I171 HydrophobicContact CB-CG2 4.29Å; M166-I171 HydrophobicContact CG-CB 4.33Å; M166-I171 HydrophobicContact CG-CG1 4.43Å; M166-I171 HydrophobicContact CG-CG2 4.34Å; M166-I171 WeakPolarHBondContact O-CB 3.43Å; M166-I171 PolarHBondContact O-N 3.14Å; M166-P174 HydrophobicContact SD-CB 3.98Å; M166-M242 HydrophobicContact CE-CE 4.1Å; M166-M242 HydrophobicContact SD-CE 4.01Å; M166-M247 HydrophobicContact CB-CE 3.64Å; M166-M247 HydrophobicContact CB-SD 4.48Å; M166-M247 HydrophobicContact SD-SD 4.49Å |
| 167 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L46 A95 S96 I163 D164 W165 N169 G170 F245 M247 | L46-A167 HydrophobicContact CD1-CB 3.91Å; A95-A167 HydrophobicContact CB-CB 3.98Å; A95-A167 WeakPolarHBondContact CB-O 3.03Å; S96-A167 PolarHBondContact OG-O 2.68Å; S96-A167 VanDerWaalsContact OG-O 3.07Å; I163-A167 PolarHBondContact O-N 3.03Å; D164-A167 PolarHBondContact O-N 3.28Å; W165-A167 PolarHBondContact O-N 2.93Å; A167-N169 VanDerWaalsContact C-N 3.29Å; A167-N169 PolarHBondContact O-N 3.23Å; A167-G170 PolarHBondContact O-N 2.57Å; A167-F245 HydrophobicContact CB-CD1 4.08Å; A167-F245 HydrophobicContact CB-CD2 4.36Å; A167-F245 HydrophobicContact CB-CE1 4.22Å; A167-F245 HydrophobicContact CB-CE2 4.46Å; A167-F245 HydrophobicContact CB-CG 4.16Å; A167-F245 HydrophobicContact CB-CZ 4.42Å; A167-M247 HydrophobicContact CB-CE 3.8Å |
| 168 | L | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 3% | 0.026 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.2 | -36.1 | 175.1 | -71.3 | 168.2 | 0 | 0 | 0 | 112.1 | L46 L50 S96 Y99 V110 D164 W165 G170 | L46-L168 HydrophobicContact CD1-CG 4.37Å; L46-L168 HydrophobicContact CD2-CD2 3.99Å; L46-L168 HydrophobicContact CD2-CG 4.33Å; L50-L168 HydrophobicContact CD2-CD1 4.25Å; L50-L168 HydrophobicContact CD2-CD2 4.26Å; S96-L168 WeakPolarHBondContact CA-O 3.27Å; S96-L168 PolarHBondContact OG-O 2.88Å; Y99-L168 HydrophobicContact CD1-CB 4.09Å; Y99-L168 VanDerWaalsContact CD1-O 3.3Å; Y99-L168 WeakPolarHBondContact CD1-O 3.33Å; Y99-L168 HydrophobicContact CD2-CD2 4.2Å; Y99-L168 HydrophobicContact CG-CB 4.04Å; Y99-L168 HydrophobicContact CG-CD2 4.03Å; V110-L168 HydrophobicContact CB-CD1 4.27Å; V110-L168 HydrophobicContact CG1-CD1 3.92Å; V110-L168 HydrophobicContact CG2-CD1 4.23Å; D164-L168 WeakPolarHBondContact O-CG 3.36Å; D164-L168 PolarHBondContact O-N 3Å; W165-L168 PolarHBondContact O-N 3.33Å; L168-G170 VanDerWaalsContact C-N 3.31Å |
| 169 | N | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.016 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 4.4 | 178.6 | -74.8 | -81.7 | 0 | 0 | 0 | 113.5 | W165 M166 A167 I171 S468 | W165-N169 PolarHBondContact NE1-ND2 3.06Å; W165-N169 VanDerWaalsContact NE1-ND2 3.15Å; W165-N169 WeakPolarHBondContact O-CB 3.37Å; W165-N169 PolarHBondContact O-N 3.11Å; W165-N169 PolarHBondContact O-ND2 3.14Å; M166-N169 CarbonylContact O-C 3.52Å; M166-N169 PolarHBondContact O-N 3.41Å; A167-N169 VanDerWaalsContact C-N 3.29Å; A167-N169 PolarHBondContact O-N 3.23Å; N169-I171 VanDerWaalsContact C-N 3.35Å; N169-I171 PolarHBondContact O-N 3.46Å; N169-S468 VanDerWaalsContact OD1-CB 3.31Å; N169-S468 WeakPolarHBondContact OD1-CB 3.44Å; N169-S468 PolarHBondContact OD1-OG 2.77Å |
| 170 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 16.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S96 R139 M166 A167 L168 N172 | S96-G170 WeakPolarHBondContact OG-CA 3.11Å; S96-G170 PolarHBondContact OG-N 3.49Å; R139-G170 WeakPolarHBondContact CB-O 3.45Å; R139-G170 PolarHBondContact NE-O 3Å; R139-G170 PolarHBondContact NH2-O 3.09Å; M166-G170 PolarHBondContact O-N 2.96Å; A167-G170 PolarHBondContact O-N 2.57Å; L168-G170 VanDerWaalsContact C-N 3.31Å; G170-N172 PolarHBondContact O-N 3.11Å |
| 171 | I | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 11.5 Ų | 11.5 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | trans | -62.8 | 127.1 | 174 | -60 | -51.2 | 0 | 0 | 0 | 109.7 | V92 R139 M166 N169 P174 M452 | V92-I171 WeakPolarHBondContact CG1-O 3.47Å; R139-I171 HydrophobicContact CB-CD1 4.15Å; M166-I171 HydrophobicContact CB-CB 3.89Å; M166-I171 HydrophobicContact CB-CG1 4.24Å; M166-I171 HydrophobicContact CB-CG2 4.29Å; M166-I171 HydrophobicContact CG-CB 4.33Å; M166-I171 HydrophobicContact CG-CG1 4.43Å; M166-I171 HydrophobicContact CG-CG2 4.34Å; M166-I171 WeakPolarHBondContact O-CB 3.43Å; M166-I171 PolarHBondContact O-N 3.14Å; N169-I171 VanDerWaalsContact C-N 3.35Å; N169-I171 PolarHBondContact O-N 3.46Å; I171-P174 HydrophobicContact CG2-CB 4.18Å; I171-M452 HydrophobicContact CD1-CE 3.74Å; I171-M452 HydrophobicContact CG1-CE 4.42Å | ||
| 172 | N | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 4.8 Ų | 4.8 | 5% | 0.053 | 3% | 0.025 | C | C | . | . | trans | -124.3 | -7.3 | 177.4 | 74.1 | -11.4 | 0 | 0 | 0 | 113.7 | V92 R137 F138 R139 G170 P174 M247 I248 | V92-N172 HydrophobicContact CG2-CB 4.03Å; R137-N172 PolarHBondContact O-ND2 3.03Å; F138-N172 WeakPolarHBondContact CA-OD1 3.18Å; R139-N172 PolarHBondContact N-OD1 3.21Å; R139-N172 PolarHBondContact NH1-ND2 2.76Å; R139-N172 VanDerWaalsContact NH1-ND2 3.19Å; R139-N172 PolarHBondContact O-N 2.88Å; R139-N172 VanDerWaalsContact O-N 3.09Å; R139-N172 PolarHBondContact O-OD1 3.35Å; G170-N172 PolarHBondContact O-N 3.11Å; N172-P174 VanDerWaalsContact C-CD 3.5Å; N172-M247 CarbonylContact O-C 3.38Å; N172-M247 WeakPolarHBondContact O-CA 3.23Å; N172-I248 PolarHBondContact O-N 3.41Å | ||
| 173 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 69.7 | 178.7 | -170.6 | 73.2 | 0 | 0 | 0 | 110.7 | F138 R139 Y140 Y141 I248 V250 I317 I412 | F138-L173 HydrophobicContact CB-CB 4.4Å; F138-L173 HydrophobicContact CB-CD2 4.04Å; F138-L173 HydrophobicContact CD1-CB 4.2Å; F138-L173 HydrophobicContact CD1-CD1 4.35Å; F138-L173 HydrophobicContact CD1-CD2 4.05Å; F138-L173 HydrophobicContact CD1-CG 4.45Å; F138-L173 HydrophobicContact CG-CD2 3.96Å; R139-L173 PolarHBondContact O-N 2.65Å; Y140-L173 WeakPolarHBondContact CA-O 3.38Å; Y140-L173 HydrophobicContact CD2-CB 4.45Å; Y140-L173 HydrophobicContact CD2-CD2 4.01Å; Y140-L173 HydrophobicContact CD2-CG 4.06Å; Y140-L173 WeakPolarHBondContact CD2-O 3.26Å; Y141-L173 PolarHBondContact N-O 3Å; L173-I248 HydrophobicContact CD1-CB 4.1Å; L173-I248 HydrophobicContact CD1-CG2 3.9Å; L173-V250 HydrophobicContact CD1-CG2 3.74Å; L173-V250 HydrophobicContact CG-CG2 3.89Å; L173-I317 HydrophobicContact CD1-CD1 3.56Å; L173-I412 HydrophobicContact CD2-CD1 3.71Å |
| 174 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 146.6 | 178.1 | 33.4 | -35.3 | 0 | 0 | 0 | 112.5 | M166 I171 N172 M242 M247 P249 V250 | M166-P174 HydrophobicContact SD-CB 3.98Å; I171-P174 HydrophobicContact CG2-CB 4.18Å; N172-P174 VanDerWaalsContact C-CD 3.5Å; P174-M242 HydrophobicContact CB-CE 3.66Å; P174-M242 HydrophobicContact CB-SD 4.18Å; P174-M242 HydrophobicContact CG-CE 3.7Å; P174-M242 HydrophobicContact CG-CG 4.16Å; P174-M242 HydrophobicContact CG-SD 3.56Å; P174-M242 VanDerWaalsContact CG-SD 3.56Å; P174-M247 HydrophobicContact CG-CB 4.09Å; P174-M247 HydrophobicContact CG-SD 4.04Å; P174-P249 WeakPolarHBondContact O-CA 3.41Å; P174-V250 PolarHBondContact O-N 2.76Å |
| 175 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.027 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 143.5 | 166.5 | -161.9 | 67.3 | 0 | 0 | 0 | 111.1 | Y141 Q142 V144 F177 V250 N319 | Y141-L175 PolarHBondContact O-N 3.23Å; Y141-L175 VanDerWaalsContact O-N 3.13Å; Q142-L175 HydrophobicContact CB-CB 3.9Å; Q142-L175 PolarHBondContact NE2-O 3.29Å; Q142-L175 PolarHBondContact OE1-O 3.33Å; V144-L175 HydrophobicContact CG1-CD2 4.03Å; L175-F177 HydrophobicContact CD1-CD1 3.73Å; L175-F177 HydrophobicContact CD1-CE1 3.42Å; L175-F177 VanDerWaalsContact CD1-CE1 3.42Å; L175-F177 HydrophobicContact CD1-CE2 4.39Å; L175-F177 HydrophobicContact CD1-CG 4.37Å; L175-F177 HydrophobicContact CD1-CZ 3.82Å; L175-F177 HydrophobicContact CD2-CD1 4.25Å; L175-F177 HydrophobicContact CD2-CD2 3.99Å; L175-F177 HydrophobicContact CD2-CE1 4.44Å; L175-F177 HydrophobicContact CD2-CE2 4.18Å; L175-F177 HydrophobicContact CD2-CG 4.06Å; L175-F177 HydrophobicContact CD2-CZ 4.43Å; L175-F177 HydrophobicContact CG-CD1 3.72Å; L175-F177 HydrophobicContact CG-CD2 4.37Å; L175-F177 HydrophobicContact CG-CE1 3.95Å; L175-F177 HydrophobicContact CG-CG 3.98Å; L175-F177 HydrophobicContact CG-CZ 4.39Å; L175-V250 HydrophobicContact CD1-CB 4.02Å; L175-V250 HydrophobicContact CD1-CG1 3.99Å; L175-N319 HydrophobicContact CD1-CB 4.1Å |
| 176 | A | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | trans | -139.7 | 78.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q235 L239 M242 P249 V250 | A176-Q235 PolarHBondContact O-NE2 3.47Å; A176-L239 HydrophobicContact CB-CD2 3.8Å; A176-M242 HydrophobicContact CB-SD 4.32Å; A176-P249 HydrophobicContact CB-CB 3.87Å; A176-V250 PolarHBondContact N-O 2.87Å | ||
| 177 | F | 94.8 | Very high | 98 | Very high | 12 Ų | 12 | 9.9 Ų | 9.9 | 5% | 0.053 | 5% | 0.049 | C | C | . | . | trans | -100.7 | -1.8 | -170.3 | -90 | 21.3 | 0 | 0 | 0 | 115.3 | V144 V147 L175 G179 Q180 P252 N319 | V144-F177 HydrophobicContact CG1-CE2 3.95Å; V147-F177 HydrophobicContact CG1-CB 4.29Å; L175-F177 HydrophobicContact CD1-CD1 3.73Å; L175-F177 HydrophobicContact CD1-CE1 3.42Å; L175-F177 VanDerWaalsContact CD1-CE1 3.42Å; L175-F177 HydrophobicContact CD1-CE2 4.39Å; L175-F177 HydrophobicContact CD1-CG 4.37Å; L175-F177 HydrophobicContact CD1-CZ 3.82Å; L175-F177 HydrophobicContact CD2-CD1 4.25Å; L175-F177 HydrophobicContact CD2-CD2 3.99Å; L175-F177 HydrophobicContact CD2-CE1 4.44Å; L175-F177 HydrophobicContact CD2-CE2 4.18Å; L175-F177 HydrophobicContact CD2-CG 4.06Å; L175-F177 HydrophobicContact CD2-CZ 4.43Å; L175-F177 HydrophobicContact CG-CD1 3.72Å; L175-F177 HydrophobicContact CG-CD2 4.37Å; L175-F177 HydrophobicContact CG-CE1 3.95Å; L175-F177 HydrophobicContact CG-CG 3.98Å; L175-F177 HydrophobicContact CG-CZ 4.39Å; F177-G179 PolarHBondContact O-N 3.08Å; F177-Q180 VanDerWaalsContact CD2-NE2 3.3Å; F177-Q180 PolarHBondContact O-NE2 3.3Å; F177-P252 HydrophobicContact CD1-CB 4.15Å; F177-P252 HydrophobicContact CD1-CG 4.5Å; F177-P252 HydrophobicContact CE1-CB 3.79Å; F177-P252 HydrophobicContact CZ-CB 4.13Å; F177-N319 HydrophobicContact CE1-CB 4.23Å; F177-N319 HydrophobicContact CZ-CB 3.98Å; F177-N319 WeakPolarHBondContact CZ-OD1 3.3Å | ||
| 178 | T | 97.5 | Very high | 98 | Very high | 13 Ų | 13 | 9.9 Ų | 9.9 | 8% | 0.08 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 134.3 | -175.8 | -48.5 | 0 | 0 | 0 | 0 | 111 | Q180 Q231 L234 Q235 I238 | T178-Q180 VanDerWaalsContact C-N 3.31Å; T178-Q180 PolarHBondContact O-N 2.96Å; T178-Q231 HydrophobicContact CG2-CB 4.21Å; T178-L234 HydrophobicContact CG2-CB 4.23Å; T178-L234 HydrophobicContact CG2-CD2 3.98Å; T178-L234 HydrophobicContact CG2-CG 4.12Å; T178-Q235 HydrophobicContact CG2-CB 4.36Å; T178-Q235 VanDerWaalsContact O-CB 3.29Å; T178-Q235 WeakPolarHBondContact O-CB 3.47Å; T178-Q235 WeakPolarHBondContact O-CG 3.39Å; T178-I238 HydrophobicContact CG2-CD1 4.24Å |
| 179 | G | 95.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 4.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | F177 E181 A182 | F177-G179 PolarHBondContact O-N 3.08Å; G179-E181 PolarHBondContact O-N 3.02Å; G179-A182 VanDerWaalsContact O-CB 3.31Å; G179-A182 WeakPolarHBondContact O-CB 3.44Å; G179-A182 PolarHBondContact O-N 3.13Å |
| 180 | Q | 97.4 | Very high | 97.9 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.4 | -26.1 | -176.5 | 74.7 | -178.6 | -88.2 | 0 | 0 | 114.2 | F177 T178 A182 L183 W184 R212 P252 | F177-Q180 VanDerWaalsContact CD2-NE2 3.3Å; F177-Q180 PolarHBondContact O-NE2 3.3Å; T178-Q180 VanDerWaalsContact C-N 3.31Å; T178-Q180 PolarHBondContact O-N 2.96Å; Q180-A182 VanDerWaalsContact C-N 3.27Å; Q180-A182 PolarHBondContact O-N 3.17Å; Q180-L183 PolarHBondContact O-N 2.94Å; Q180-W184 PolarHBondContact O-N 3.24Å; Q180-W184 VanDerWaalsContact O-N 3.08Å; Q180-R212 VanDerWaalsContact CD-NE 3.32Å; Q180-R212 VanDerWaalsContact NE2-CD 3.35Å; Q180-P252 HydrophobicContact CB-CG 3.91Å |
| 181 | E | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.019 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -30.9 | 175 | -67.2 | 68.4 | -130.1 | 0 | 0 | 112 | G179 L183 W184 Q185 F202 L208 R212 L223 | G179-E181 PolarHBondContact O-N 3.02Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.04Å; E181-W184 PolarHBondContact O-N 3.29Å; E181-Q185 WeakPolarHBondContact O-CB 3.48Å; E181-Q185 PolarHBondContact O-N 3.46Å; E181-F202 HydrophobicContact CB-CD1 4.14Å; E181-F202 HydrophobicContact CB-CE1 3.84Å; E181-F202 HydrophobicContact CB-CZ 4.14Å; E181-F202 HydrophobicContact CG-CD1 3.69Å; E181-F202 HydrophobicContact CG-CE1 3.71Å; E181-F202 HydrophobicContact CG-CG 4.48Å; E181-L208 HydrophobicContact CG-CD1 4.48Å; E181-L208 HydrophobicContact CG-CD2 3.93Å; E181-R212 IonicContact OE1-CZ 2.81Å; E181-R212 IonicContact OE1-NE 3.2Å; E181-R212 PolarHBondContact OE1-NE 3.41Å; E181-R212 IonicContact OE1-NH2 3.65Å; E181-R212 PolarHBondContact OE1-NH2 2.94Å; E181-R212 IonicContact OE2-CZ 3.22Å; E181-R212 IonicContact OE2-NH2 2.77Å; E181-R212 PolarHBondContact OE2-NH2 2.98Å; E181-L223 HydrophobicContact CB-CD1 3.98Å; E181-L223 HydrophobicContact CG-CD1 3.79Å |
| 182 | A | 98.1 | Very high | 97.8 | Very high | 8 Ų | 8 | 20 Ų | 20 | 7% | 0.066 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G179 Q180 Q185 E186 H228 L232 | G179-A182 VanDerWaalsContact O-CB 3.31Å; G179-A182 WeakPolarHBondContact O-CB 3.44Å; G179-A182 PolarHBondContact O-N 3.13Å; Q180-A182 VanDerWaalsContact C-N 3.27Å; Q180-A182 PolarHBondContact O-N 3.17Å; A182-Q185 WeakPolarHBondContact O-CB 3.42Å; A182-Q185 PolarHBondContact O-N 3.08Å; A182-E186 WeakPolarHBondContact O-CG 3.45Å; A182-E186 PolarHBondContact O-N 2.94Å; A182-H228 WeakPolarHBondContact CA-ND1 3.45Å; A182-H228 HydrophobicContact CB-CB 3.84Å; A182-H228 PolarHBondContact N-ND1 3.42Å; A182-L232 HydrophobicContact CB-CB 4.46Å |
| 183 | L | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.1 | -40.1 | 177.7 | -53 | -170.6 | 0 | 0 | 0 | 111.6 | Q180 E181 Q185 E186 V187 L232 Y304 E307 V308 Q311 F312 | Q180-L183 PolarHBondContact O-N 2.94Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.04Å; L183-Q185 VanDerWaalsContact C-N 3.34Å; L183-E186 PolarHBondContact O-N 2.89Å; L183-V187 VanDerWaalsContact O-CG2 3.3Å; L183-V187 WeakPolarHBondContact O-CG2 3.49Å; L183-V187 PolarHBondContact O-N 3.38Å; L183-L232 HydrophobicContact CD2-CD1 4.26Å; L183-Y304 HydrophobicContact CB-CE2 3.97Å; L183-E307 HydrophobicContact CB-CG 4.46Å; L183-E307 HydrophobicContact CD2-CG 4.24Å; L183-V308 HydrophobicContact CD1-CB 4.19Å; L183-V308 HydrophobicContact CD1-CG2 3.6Å; L183-Q311 HydrophobicContact CD2-CB 4.26Å; L183-Q311 HydrophobicContact CD2-CG 3.8Å; L183-F312 HydrophobicContact CD1-CD2 4.02Å; L183-F312 HydrophobicContact CD1-CE2 3.51Å; L183-F312 HydrophobicContact CD1-CZ 4.24Å; L183-F312 HydrophobicContact CG-CE2 4.3Å |
| 184 | W | 98.4 | Very high | 97.6 | Very high | 22 Ų | 22 | 23.2 Ų | 23.2 | 8% | 0.083 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 172.7 | -81.4 | 123 | 0 | 0 | 0 | 112.4 | Q180 E181 E186 V187 Y188 F202 F254 I300 Y304 | Q180-W184 PolarHBondContact O-N 3.24Å; Q180-W184 VanDerWaalsContact O-N 3.08Å; E181-W184 PolarHBondContact O-N 3.29Å; W184-E186 VanDerWaalsContact C-N 3.33Å; W184-E186 PolarHBondContact O-N 2.83Å; W184-V187 HydrophobicContact CE3-CB 4.4Å; W184-V187 HydrophobicContact CE3-CG1 4.36Å; W184-V187 HydrophobicContact CZ3-CG1 4.26Å; W184-V187 PolarHBondContact O-N 3.18Å; W184-Y188 HydrophobicContact CB-CD2 4.14Å; W184-Y188 HydrophobicContact CB-CE2 3.96Å; W184-Y188 AromaticContact CD2-CE2 3.95Å; W184-Y188 HydrophobicContact CD2-CE2 3.95Å; W184-Y188 HydrophobicContact CE3-CD2 4.18Å; W184-Y188 HydrophobicContact CE3-CE1 4.07Å; W184-Y188 AromaticContact CE3-CE2 3.48Å; W184-Y188 HydrophobicContact CE3-CE2 3.48Å; W184-Y188 VanDerWaalsContact CE3-CE2 3.48Å; W184-Y188 AromaticContact CE3-CZ 3.39Å; W184-Y188 HydrophobicContact CG-CE2 4.19Å; W184-Y188 HydrophobicContact CZ3-CE1 4.16Å; W184-Y188 HydrophobicContact CZ3-CE2 4.29Å; W184-Y188 AromaticContact CZ3-CZ 3.73Å; W184-Y188 WeakPolarHBondContact O-CB 3.38Å; W184-Y188 WeakPolarHBondContact O-CD2 3.4Å; W184-Y188 PolarHBondContact O-N 2.94Å; W184-F202 HydrophobicContact CB-CE1 4.02Å; W184-F202 HydrophobicContact CB-CZ 3.66Å; W184-F254 HydrophobicContact CH2-CB 3.97Å; W184-F254 AromaticContact CH2-CD2 3.32Å; W184-F254 HydrophobicContact CH2-CD2 3.32Å; W184-F254 HydrophobicContact CH2-CE2 4.07Å; W184-F254 AromaticContact CH2-CG 3.96Å; W184-F254 HydrophobicContact CH2-CG 3.96Å; W184-F254 HydrophobicContact CZ2-CB 4.27Å; W184-F254 AromaticContact CZ2-CD2 3.84Å; W184-F254 HydrophobicContact CZ2-CD2 3.84Å; W184-F254 HydrophobicContact CZ3-CD2 4.29Å; W184-I300 HydrophobicContact CH2-CG2 4.32Å; W184-I300 HydrophobicContact CZ3-CG2 3.99Å; W184-Y304 AromaticContact CD1-CE2 3.56Å; W184-Y304 AromaticContact CD1-CZ 3.95Å; W184-Y304 AromaticContact CD2-CD2 3.38Å; W184-Y304 HydrophobicContact CD2-CD2 3.38Å; W184-Y304 AromaticContact CD2-CE2 3.42Å; W184-Y304 HydrophobicContact CD2-CE2 3.42Å; W184-Y304 VanDerWaalsContact CD2-CE2 3.42Å; W184-Y304 HydrophobicContact CD2-CG 4.13Å; W184-Y304 AromaticContact CE2-CD2 3.36Å; W184-Y304 AromaticContact CE2-CE1 3.94Å; W184-Y304 AromaticContact CE2-CE2 3.2Å; W184-Y304 AromaticContact CE2-CG 3.78Å; W184-Y304 AromaticContact CE2-CZ 3.5Å; W184-Y304 AromaticContact CE3-CD2 3.54Å; W184-Y304 HydrophobicContact CE3-CD2 3.54Å; W184-Y304 HydrophobicContact CE3-CE2 4.09Å; W184-Y304 HydrophobicContact CE3-CG 4.09Å; W184-Y304 HydrophobicContact CG-CD2 4.02Å; W184-Y304 AromaticContact CG-CE2 3.63Å; W184-Y304 HydrophobicContact CG-CE2 3.63Å; W184-Y304 AromaticContact CH2-CD1 3.76Å; W184-Y304 HydrophobicContact CH2-CD1 3.76Å; W184-Y304 AromaticContact CH2-CD2 3.6Å; W184-Y304 HydrophobicContact CH2-CD2 3.6Å; W184-Y304 HydrophobicContact CH2-CE1 4.42Å; W184-Y304 HydrophobicContact CH2-CE2 4.28Å; W184-Y304 AromaticContact CH2-CG 3.28Å; W184-Y304 HydrophobicContact CH2-CG 3.28Å; W184-Y304 AromaticContact CZ2-CD1 3.48Å; W184-Y304 HydrophobicContact CZ2-CD1 3.48Å; W184-Y304 VanDerWaalsContact CZ2-CD1 3.48Å; W184-Y304 AromaticContact CZ2-CD2 3.48Å; W184-Y304 HydrophobicContact CZ2-CD2 3.48Å; W184-Y304 VanDerWaalsContact CZ2-CD2 3.48Å; W184-Y304 AromaticContact CZ2-CE1 3.68Å; W184-Y304 HydrophobicContact CZ2-CE1 3.68Å; W184-Y304 AromaticContact CZ2-CE2 3.69Å; W184-Y304 HydrophobicContact CZ2-CE2 3.69Å; W184-Y304 AromaticContact CZ2-CG 3.35Å; W184-Y304 HydrophobicContact CZ2-CG 3.35Å; W184-Y304 AromaticContact CZ2-CZ 3.76Å; W184-Y304 AromaticContact CZ3-CD2 3.65Å; W184-Y304 HydrophobicContact CZ3-CD2 3.65Å; W184-Y304 HydrophobicContact CZ3-CE2 4.48Å; W184-Y304 AromaticContact CZ3-CG 3.7Å; W184-Y304 HydrophobicContact CZ3-CG 3.7Å; W184-Y304 AromaticContact NE1-CD2 3.97Å; W184-Y304 AromaticContact NE1-CE2 3.3Å; W184-Y304 VanDerWaalsContact NE1-CE2 3.3Å; W184-Y304 AromaticContact NE1-CZ 3.35Å; W184-Y304 VanDerWaalsContact NE1-CZ 3.35Å; W184-Y304 PolarHBondContact NE1-OH 3.24Å |
| 185 | Q | 97.9 | Very high | 97.4 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 175.3 | 178.8 | -178.8 | 78.5 | 0 | 0 | 110.9 | E181 A182 L183 R189 L198 F202 Q225 | E181-Q185 WeakPolarHBondContact O-CB 3.48Å; E181-Q185 PolarHBondContact O-N 3.46Å; A182-Q185 WeakPolarHBondContact O-CB 3.42Å; A182-Q185 PolarHBondContact O-N 3.08Å; L183-Q185 VanDerWaalsContact C-N 3.34Å; Q185-R189 VanDerWaalsContact CD-NH2 3.31Å; Q185-R189 VanDerWaalsContact CG-CZ 3.48Å; Q185-R189 VanDerWaalsContact NE2-NH2 3.14Å; Q185-R189 WeakPolarHBondContact O-CB 3.42Å; Q185-R189 VanDerWaalsContact O-CG 3.28Å; Q185-R189 WeakPolarHBondContact O-CG 3.35Å; Q185-R189 PolarHBondContact O-N 3.48Å; Q185-L198 HydrophobicContact CG-CD1 4.15Å; Q185-F202 HydrophobicContact CB-CE2 4.44Å; Q185-Q225 VanDerWaalsContact OE1-OE1 3.08Å |
| 186 | E | 97.1 | Very high | 97.3 | Very high | 96 Ų | 96 | 30.6 Ų | 30.6 | 45% | 0.449 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 177.2 | -67.3 | -56.8 | 135.2 | 0 | 0 | 112.4 | A182 L183 W184 Y188 R189 A190 | A182-E186 WeakPolarHBondContact O-CG 3.45Å; A182-E186 PolarHBondContact O-N 2.94Å; L183-E186 PolarHBondContact O-N 2.89Å; W184-E186 VanDerWaalsContact C-N 3.33Å; W184-E186 PolarHBondContact O-N 2.83Å; E186-Y188 PolarHBondContact O-N 3.5Å; E186-R189 PolarHBondContact O-N 2.84Å; E186-R189 IonicContact OE1-NH1 3.18Å; E186-A190 WeakPolarHBondContact O-CB 3.36Å; E186-A190 PolarHBondContact O-N 3.5Å |
| 187 | V | 98.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 179.2 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | L183 W184 A190 L191 L303 Y304 E307 | L183-V187 VanDerWaalsContact O-CG2 3.3Å; L183-V187 WeakPolarHBondContact O-CG2 3.49Å; L183-V187 PolarHBondContact O-N 3.38Å; W184-V187 HydrophobicContact CE3-CB 4.4Å; W184-V187 HydrophobicContact CE3-CG1 4.36Å; W184-V187 HydrophobicContact CZ3-CG1 4.26Å; W184-V187 PolarHBondContact O-N 3.18Å; V187-A190 PolarHBondContact O-N 3.42Å; V187-L191 HydrophobicContact CG1-CD1 4.16Å; V187-L191 WeakPolarHBondContact O-CG 3.37Å; V187-L191 PolarHBondContact O-N 2.93Å; V187-L303 HydrophobicContact CG1-CB 4.16Å; V187-Y304 HydrophobicContact CG2-CD2 4.31Å; V187-E307 HydrophobicContact CG2-CB 4.24Å |
| 188 | Y | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.1 | -35.6 | -178 | -69.9 | -45 | 0 | 0 | 0 | 112.8 | W184 E186 A190 L191 G192 L193 L198 F201 P259 | W184-Y188 HydrophobicContact CB-CD2 4.14Å; W184-Y188 HydrophobicContact CB-CE2 3.96Å; W184-Y188 AromaticContact CD2-CE2 3.95Å; W184-Y188 HydrophobicContact CD2-CE2 3.95Å; W184-Y188 HydrophobicContact CE3-CD2 4.18Å; W184-Y188 HydrophobicContact CE3-CE1 4.07Å; W184-Y188 AromaticContact CE3-CE2 3.48Å; W184-Y188 HydrophobicContact CE3-CE2 3.48Å; W184-Y188 VanDerWaalsContact CE3-CE2 3.48Å; W184-Y188 AromaticContact CE3-CZ 3.39Å; W184-Y188 HydrophobicContact CG-CE2 4.19Å; W184-Y188 HydrophobicContact CZ3-CE1 4.16Å; W184-Y188 HydrophobicContact CZ3-CE2 4.29Å; W184-Y188 AromaticContact CZ3-CZ 3.73Å; W184-Y188 WeakPolarHBondContact O-CB 3.38Å; W184-Y188 WeakPolarHBondContact O-CD2 3.4Å; W184-Y188 PolarHBondContact O-N 2.94Å; E186-Y188 PolarHBondContact O-N 3.5Å; Y188-A190 VanDerWaalsContact C-N 3.35Å; Y188-L191 HydrophobicContact CD1-CD1 4.11Å; Y188-L191 PolarHBondContact O-N 3.39Å; Y188-G192 PolarHBondContact O-N 2.86Å; Y188-G192 VanDerWaalsContact O-N 3.17Å; Y188-L193 HydrophobicContact CD1-CD1 4.24Å; Y188-L193 HydrophobicContact CG-CD2 4.36Å; Y188-L193 WeakPolarHBondContact O-CB 3.49Å; Y188-L193 PolarHBondContact O-N 3.28Å; Y188-L198 HydrophobicContact CD2-CD2 4.06Å; Y188-L198 HydrophobicContact CG-CD2 4.21Å; Y188-F201 HydrophobicContact CE2-CD1 4.15Å; Y188-F201 AromaticContact CE2-CE1 3.77Å; Y188-F201 HydrophobicContact CE2-CE1 3.77Å; Y188-F201 HydrophobicContact CE2-CZ 4.34Å; Y188-P259 HydrophobicContact CD1-CG 3.95Å; Y188-P259 HydrophobicContact CD2-CG 4.26Å; Y188-P259 VanDerWaalsContact CE1-CD 3.5Å; Y188-P259 HydrophobicContact CE1-CG 3.8Å; Y188-P259 HydrophobicContact CE2-CG 4.11Å; Y188-P259 HydrophobicContact CG-CG 4.21Å; Y188-P259 WeakPolarHBondContact OH-CD 3.39Å |
| 189 | R | 97.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 35.5 Ų | 35.5 | 29% | 0.287 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 169.6 | -78.3 | -180 | 176.9 | 145.2 | 5.2 | 111.3 | Q185 E186 L191 G192 E195 L198 | Q185-R189 VanDerWaalsContact CD-NH2 3.31Å; Q185-R189 VanDerWaalsContact CG-CZ 3.48Å; Q185-R189 VanDerWaalsContact NE2-NH2 3.14Å; Q185-R189 WeakPolarHBondContact O-CB 3.42Å; Q185-R189 VanDerWaalsContact O-CG 3.28Å; Q185-R189 WeakPolarHBondContact O-CG 3.35Å; Q185-R189 PolarHBondContact O-N 3.48Å; E186-R189 PolarHBondContact O-N 2.84Å; E186-R189 IonicContact OE1-NH1 3.18Å; R189-L191 PolarHBondContact O-N 3.42Å; R189-G192 PolarHBondContact O-N 2.85Å; R189-E195 IonicContact CZ-OE1 3.58Å; R189-E195 VanDerWaalsContact CZ-OE1 3.25Å; R189-E195 IonicContact CZ-OE2 2.7Å; R189-E195 IonicContact NE-OE1 3.38Å; R189-E195 PolarHBondContact NE-OE1 2.9Å; R189-E195 IonicContact NE-OE2 3.64Å; R189-E195 VanDerWaalsContact NH2-CD 3.26Å; R189-E195 IonicContact NH2-OE1 3.81Å; R189-E195 PolarHBondContact NH2-OE1 3.08Å; R189-E195 IonicContact NH2-OE2 2.71Å; R189-E195 PolarHBondContact NH2-OE2 3.29Å; R189-L198 HydrophobicContact CG-CD1 3.97Å |
| 190 | A | 97.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 39.8 Ų | 39.8 | 74% | 0.744 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -62.4 | -30.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E186 V187 Y188 G192 | E186-A190 WeakPolarHBondContact O-CB 3.36Å; E186-A190 PolarHBondContact O-N 3.5Å; V187-A190 PolarHBondContact O-N 3.42Å; Y188-A190 VanDerWaalsContact C-N 3.35Å; A190-G192 VanDerWaalsContact C-N 3.33Å |
| 191 | L | 97.7 | Very high | 97.2 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.1 | -15.6 | 173.1 | -68.6 | 169.3 | 0 | 0 | 0 | 113.5 | V187 Y188 R189 L193 I262 L265 I300 L303 | V187-L191 HydrophobicContact CG1-CD1 4.16Å; V187-L191 WeakPolarHBondContact O-CG 3.37Å; V187-L191 PolarHBondContact O-N 2.93Å; Y188-L191 HydrophobicContact CD1-CD1 4.11Å; Y188-L191 PolarHBondContact O-N 3.39Å; R189-L191 PolarHBondContact O-N 3.42Å; L191-L193 HydrophobicContact CB-CD1 4.42Å; L191-I262 HydrophobicContact CD1-CD1 4.25Å; L191-L265 WeakPolarHBondContact O-CD1 3.35Å; L191-I300 HydrophobicContact CD1-CD1 4.4Å; L191-I300 HydrophobicContact CD1-CG1 4.08Å; L191-L303 HydrophobicContact CD2-CD1 3.8Å; L191-L303 HydrophobicContact CG-CD1 4.37Å |
| 192 | G | 98 | Very high | 97.2 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 38% | 0.381 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.8 | 19.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y188 R189 A190 R264 | Y188-G192 PolarHBondContact O-N 2.86Å; Y188-G192 VanDerWaalsContact O-N 3.17Å; R189-G192 PolarHBondContact O-N 2.85Å; A190-G192 VanDerWaalsContact C-N 3.33Å; G192-R264 PolarHBondContact O-NH2 3.48Å |
| 193 | L | 98.1 | Very high | 97.2 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | trans | -70.5 | 143.8 | 168.8 | -84.4 | 82.3 | 0 | 0 | 0 | 110.5 | Y188 L191 E197 L198 P259 I262 L265 | Y188-L193 HydrophobicContact CD1-CD1 4.24Å; Y188-L193 HydrophobicContact CG-CD2 4.36Å; Y188-L193 WeakPolarHBondContact O-CB 3.49Å; Y188-L193 PolarHBondContact O-N 3.28Å; L191-L193 HydrophobicContact CB-CD1 4.42Å; L193-E197 WeakPolarHBondContact CA-OE2 3.11Å; L193-E197 HydrophobicContact CB-CB 4.46Å; L193-E197 HydrophobicContact CD2-CB 4Å; L193-E197 HydrophobicContact CG-CB 4.36Å; L193-L198 HydrophobicContact CB-CD2 4.26Å; L193-L198 HydrophobicContact CB-CG 4.47Å; L193-L198 HydrophobicContact CD2-CD2 4.11Å; L193-P259 HydrophobicContact CD2-CB 3.72Å; L193-P259 HydrophobicContact CD2-CG 3.32Å; L193-I262 HydrophobicContact CD1-CD1 3.85Å; L193-I262 HydrophobicContact CD1-CG1 4.44Å; L193-L265 HydrophobicContact CD1-CD1 3.41Å; L193-L265 VanDerWaalsContact CD1-CD1 3.41Å; L193-L265 HydrophobicContact CG-CD1 4.17Å | ||
| 194 | N | 96.2 | Very high | 97.2 | Very high | 67 Ų | 67 | 39.7 Ų | 39.7 | 36% | 0.358 | 22% | 0.217 | S | C | . | . | trans | -90.8 | 167 | 172.8 | 65.1 | 52.7 | 0 | 0 | 0 | 111.3 | S196 E197 L198 | N194-S196 VanDerWaalsContact C-N 3.34Å; N194-S196 PolarHBondContact O-N 2.82Å; N194-S196 PolarHBondContact OD1-N 2.77Å; N194-S196 PolarHBondContact OD1-OG 3.28Å; N194-E197 PolarHBondContact N-OE2 2.95Å; N194-E197 PolarHBondContact ND2-OE2 2.81Å; N194-E197 PolarHBondContact O-N 2.97Å; N194-E197 VanDerWaalsContact O-N 3.15Å; N194-E197 WeakPolarHBondContact OD1-CG 3.35Å; N194-E197 PolarHBondContact OD1-N 2.98Å; N194-L198 PolarHBondContact O-N 2.77Å | ||
| 195 | E | 95.3 | Very high | 97.2 | Very high | 87 Ų | 87 | 38.7 Ų | 38.7 | 41% | 0.407 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.9 | -42 | -177.8 | -63.6 | -56.5 | 130.5 | 0 | 0 | 112.7 | R189 E197 L198 E199 | R189-E195 IonicContact CZ-OE1 3.58Å; R189-E195 VanDerWaalsContact CZ-OE1 3.25Å; R189-E195 IonicContact CZ-OE2 2.7Å; R189-E195 IonicContact NE-OE1 3.38Å; R189-E195 PolarHBondContact NE-OE1 2.9Å; R189-E195 IonicContact NE-OE2 3.64Å; R189-E195 VanDerWaalsContact NH2-CD 3.26Å; R189-E195 IonicContact NH2-OE1 3.81Å; R189-E195 PolarHBondContact NH2-OE1 3.08Å; R189-E195 IonicContact NH2-OE2 2.71Å; R189-E195 PolarHBondContact NH2-OE2 3.29Å; E195-E197 VanDerWaalsContact C-N 3.26Å; E195-E197 PolarHBondContact O-N 3.48Å; E195-L198 WeakPolarHBondContact O-CB 3.18Å; E195-L198 PolarHBondContact O-N 3.36Å; E195-E199 WeakPolarHBondContact O-CG 3.42Å; E195-E199 PolarHBondContact O-N 2.74Å |
| 196 | S | 95.9 | Very high | 97.2 | Very high | 68 Ų | 68 | 38.3 Ų | 38.3 | 48% | 0.476 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.6 | -33.2 | 178.9 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | N194 L198 E200 | N194-S196 VanDerWaalsContact C-N 3.34Å; N194-S196 PolarHBondContact O-N 2.82Å; N194-S196 PolarHBondContact OD1-N 2.77Å; N194-S196 PolarHBondContact OD1-OG 3.28Å; S196-L198 VanDerWaalsContact C-N 3.33Å; S196-E200 WeakPolarHBondContact O-CG 3.32Å; S196-E200 PolarHBondContact O-N 3.14Å |
| 197 | E | 97 | Very high | 97.3 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.6 | -29.1 | 175.7 | -70.4 | 167.7 | 149.4 | 0 | 0 | 112.3 | L193 N194 E195 F201 G261 R264 | L193-E197 WeakPolarHBondContact CA-OE2 3.11Å; L193-E197 HydrophobicContact CB-CB 4.46Å; L193-E197 HydrophobicContact CD2-CB 4Å; L193-E197 HydrophobicContact CG-CB 4.36Å; N194-E197 PolarHBondContact N-OE2 2.95Å; N194-E197 PolarHBondContact ND2-OE2 2.81Å; N194-E197 PolarHBondContact O-N 2.97Å; N194-E197 VanDerWaalsContact O-N 3.15Å; N194-E197 WeakPolarHBondContact OD1-CG 3.35Å; N194-E197 PolarHBondContact OD1-N 2.98Å; E195-E197 VanDerWaalsContact C-N 3.26Å; E195-E197 PolarHBondContact O-N 3.48Å; E197-F201 PolarHBondContact O-N 2.73Å; E197-G261 WeakPolarHBondContact OE1-CA 3.3Å; E197-R264 IonicContact OE1-CZ 3.65Å; E197-R264 IonicContact OE1-NE 3.71Å; E197-R264 PolarHBondContact OE1-NE 3.01Å; E197-R264 IonicContact OE1-NH2 2.86Å; E197-R264 PolarHBondContact OE1-NH2 2.84Å; E197-R264 IonicContact OE2-CZ 2.8Å; E197-R264 IonicContact OE2-NE 2.65Å; E197-R264 IonicContact OE2-NH2 2.83Å; E197-R264 PolarHBondContact OE2-NH2 3.1Å |
| 198 | L | 97.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76.7 | -40 | 174.2 | -61 | 173.6 | 0 | 0 | 0 | 111.4 | Q185 Y188 R189 L193 N194 E195 S196 E200 F201 F202 | Q185-L198 HydrophobicContact CG-CD1 4.15Å; Y188-L198 HydrophobicContact CD2-CD2 4.06Å; Y188-L198 HydrophobicContact CG-CD2 4.21Å; R189-L198 HydrophobicContact CG-CD1 3.97Å; L193-L198 HydrophobicContact CB-CD2 4.26Å; L193-L198 HydrophobicContact CB-CG 4.47Å; L193-L198 HydrophobicContact CD2-CD2 4.11Å; N194-L198 PolarHBondContact O-N 2.77Å; E195-L198 WeakPolarHBondContact O-CB 3.18Å; E195-L198 PolarHBondContact O-N 3.36Å; S196-L198 VanDerWaalsContact C-N 3.33Å; L198-E200 PolarHBondContact O-N 3.2Å; L198-F201 PolarHBondContact O-N 3.47Å; L198-F202 HydrophobicContact CD2-CE2 4.49Å; L198-F202 WeakPolarHBondContact O-CD2 3.15Å; L198-F202 PolarHBondContact O-N 2.91Å |
| 199 | E | 94.9 | Very high | 97.3 | Very high | 101 Ų | 101 | 33.4 Ų | 33.4 | 47% | 0.472 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.9 | -31.5 | 173.5 | -69 | -177.2 | 168.1 | 0 | 0 | 112.2 | E195 F201 P222 | E195-E199 WeakPolarHBondContact O-CG 3.42Å; E195-E199 PolarHBondContact O-N 2.74Å; E199-F201 VanDerWaalsContact C-N 3.34Å; E199-P222 HydrophobicContact CB-CB 3.92Å; E199-P222 HydrophobicContact CG-CB 3.63Å; E199-P222 HydrophobicContact CG-CG 4.44Å |
| 200 | E | 94.9 | Very high | 97.3 | Very high | 91 Ų | 91 | 30.2 Ų | 30.2 | 43% | 0.425 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -18.4 | 172.1 | -76.1 | -172.2 | 167.7 | 0 | 0 | 113.7 | S196 L198 | S196-E200 WeakPolarHBondContact O-CG 3.32Å; S196-E200 PolarHBondContact O-N 3.14Å; L198-E200 PolarHBondContact O-N 3.2Å |
| 201 | F | 97.2 | Very high | 97.4 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -49.3 | -176.4 | -178.7 | -112.4 | 0 | 0 | 0 | 112.8 | Y188 E197 L198 E199 N211 D217 P259 | Y188-F201 HydrophobicContact CE2-CD1 4.15Å; Y188-F201 AromaticContact CE2-CE1 3.77Å; Y188-F201 HydrophobicContact CE2-CE1 3.77Å; Y188-F201 HydrophobicContact CE2-CZ 4.34Å; E197-F201 PolarHBondContact O-N 2.73Å; L198-F201 PolarHBondContact O-N 3.47Å; E199-F201 VanDerWaalsContact C-N 3.34Å; F201-N211 PolarHBondContact O-ND2 2.89Å; F201-D217 VanDerWaalsContact O-CB 3.3Å; F201-D217 WeakPolarHBondContact O-CB 3.12Å; F201-P259 HydrophobicContact CB-CB 3.91Å; F201-P259 HydrophobicContact CD2-CB 3.61Å; F201-P259 HydrophobicContact CD2-CG 4.4Å; F201-P259 HydrophobicContact CE2-CB 4.25Å; F201-P259 HydrophobicContact CG-CB 3.78Å; F201-P259 HydrophobicContact CG-CG 4.47Å |
| 202 | F | 97.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 134 | -176.7 | -63.9 | -59.9 | 0 | 0 | 0 | 111.6 | E181 W184 Q185 L198 K218 L223 | E181-F202 HydrophobicContact CB-CD1 4.14Å; E181-F202 HydrophobicContact CB-CE1 3.84Å; E181-F202 HydrophobicContact CB-CZ 4.14Å; E181-F202 HydrophobicContact CG-CD1 3.69Å; E181-F202 HydrophobicContact CG-CE1 3.71Å; E181-F202 HydrophobicContact CG-CG 4.48Å; W184-F202 HydrophobicContact CB-CE1 4.02Å; W184-F202 HydrophobicContact CB-CZ 3.66Å; Q185-F202 HydrophobicContact CB-CE2 4.44Å; L198-F202 HydrophobicContact CD2-CE2 4.49Å; L198-F202 WeakPolarHBondContact O-CD2 3.15Å; L198-F202 PolarHBondContact O-N 2.91Å; F202-K218 WeakPolarHBondContact O-CA 3.33Å; F202-L223 HydrophobicContact CB-CD1 3.65Å; F202-L223 HydrophobicContact CB-CG 3.98Å; F202-L223 HydrophobicContact CD1-CD1 4.39Å; F202-L223 HydrophobicContact CD2-CD1 4.45Å; F202-L223 HydrophobicContact CG-CD1 3.94Å |
| 203 | S | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 173.9 | 167.4 | 71.5 | 0 | 0 | 0 | 0 | 111.2 | F207 L208 N211 F219 L223 | S203-F207 VanDerWaalsContact OG-C 3.25Å; S203-F207 PolarHBondContact OG-O 2.75Å; S203-L208 PolarHBondContact OG-N 3.3Å; S203-N211 WeakPolarHBondContact OG-CB 3.08Å; S203-F219 CarbonylContact C-O 3.6Å; S203-F219 WeakPolarHBondContact CA-O 3.46Å; S203-F219 WeakPolarHBondContact CB-O 3.04Å; S203-L223 VanDerWaalsContact O-CD2 3.3Å; S203-L223 WeakPolarHBondContact O-CD2 3.23Å; S203-L223 VanDerWaalsContact O-CG 3.27Å; S203-L223 WeakPolarHBondContact O-CG 3.43Å |
| 204 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 162.9 | 167 | 0 | 0 | 0 | 0 | 0 | 112.7 | A206 F207 F219 G220 N649 | G204-A206 VanDerWaalsContact C-N 3.26Å; G204-A206 PolarHBondContact O-N 2.79Å; G204-F207 PolarHBondContact O-N 3Å; G204-F219 PolarHBondContact N-O 2.81Å; G204-G220 WeakPolarHBondContact CA-O 3.37Å; G204-G220 VanDerWaalsContact N-C 3.32Å; G204-N649 WeakPolarHBondContact CA-OD1 3.26Å |
| 205 | P | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -54.5 | -39.6 | -174.3 | -29.2 | 37.1 | 0 | 0 | 0 | 114.4 | V152 W153 F207 L223 W227 Y646 | V152-P205 VanDerWaalsContact CG2-C 3.46Å; V152-P205 HydrophobicContact CG2-CB 3.61Å; V152-P205 VanDerWaalsContact CG2-O 3.3Å; V152-P205 WeakPolarHBondContact CG2-O 3.4Å; W153-P205 HydrophobicContact CH2-CB 3.67Å; W153-P205 HydrophobicContact CH2-CG 4.1Å; W153-P205 HydrophobicContact CZ3-CB 3.78Å; W153-P205 HydrophobicContact CZ3-CG 4.17Å; P205-F207 PolarHBondContact O-N 3.2Å; P205-L223 HydrophobicContact CG-CD2 3.77Å; P205-W227 HydrophobicContact CB-CD2 4.33Å; P205-W227 HydrophobicContact CB-CE3 4.09Å; P205-W227 HydrophobicContact CB-CH2 3.57Å; P205-W227 HydrophobicContact CB-CZ2 3.78Å; P205-W227 HydrophobicContact CB-CZ3 3.71Å; P205-W227 HydrophobicContact CG-CD2 4.05Å; P205-W227 HydrophobicContact CG-CE3 3.88Å; P205-W227 HydrophobicContact CG-CH2 4.27Å; P205-W227 HydrophobicContact CG-CZ2 4.39Å; P205-W227 HydrophobicContact CG-CZ3 3.99Å; P205-Y646 HydrophobicContact CG-CD1 3.92Å; P205-Y646 HydrophobicContact CG-CE1 3.58Å |
| 206 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -69.6 | -12.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S148 W153 G204 N649 Q653 | S148-A206 VanDerWaalsContact CB-O 3.26Å; S148-A206 WeakPolarHBondContact CB-O 3.13Å; S148-A206 PolarHBondContact OG-O 2.95Å; W153-A206 HydrophobicContact CZ2-CB 4.29Å; G204-A206 VanDerWaalsContact C-N 3.26Å; G204-A206 PolarHBondContact O-N 2.79Å; A206-N649 HydrophobicContact CB-CB 3.83Å; A206-N649 PolarHBondContact N-OD1 2.95Å; A206-Q653 HydrophobicContact CB-CB 4.03Å; A206-Q653 HydrophobicContact CB-CG 4.31Å; A206-Q653 PolarHBondContact O-NE2 3.38Å |
| 207 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -115.6 | 5.4 | -173.7 | -55.7 | -75.1 | 0 | 0 | 0 | 113.6 | S203 G204 P205 A209 W210 N211 M216 F219 N652 Q653 W657 | S203-F207 VanDerWaalsContact OG-C 3.25Å; S203-F207 PolarHBondContact OG-O 2.75Å; G204-F207 PolarHBondContact O-N 3Å; P205-F207 PolarHBondContact O-N 3.2Å; F207-A209 VanDerWaalsContact C-N 3.28Å; F207-A209 PolarHBondContact O-N 3.26Å; F207-W210 HydrophobicContact CB-CE3 4.36Å; F207-W210 HydrophobicContact CD1-CE3 4.39Å; F207-W210 HydrophobicContact CD1-CZ3 4.39Å; F207-W210 PolarHBondContact O-N 3.28Å; F207-W210 VanDerWaalsContact O-N 3.17Å; F207-N211 PolarHBondContact O-N 2.83Å; F207-M216 HydrophobicContact CB-CE 3.87Å; F207-M216 HydrophobicContact CB-SD 3.9Å; F207-M216 HydrophobicContact CD1-CE 4.24Å; F207-M216 HydrophobicContact CD1-SD 4.41Å; F207-M216 HydrophobicContact CG-CE 4.11Å; F207-M216 HydrophobicContact CG-SD 4.48Å; F207-F219 HydrophobicContact CD1-CD1 4.32Å; F207-F219 HydrophobicContact CD1-CE1 4.45Å; F207-F219 AromaticContact CD2-CD1 3.92Å; F207-F219 HydrophobicContact CD2-CD1 3.92Å; F207-F219 HydrophobicContact CD2-CE1 4.16Å; F207-F219 HydrophobicContact CE1-CD1 4.23Å; F207-F219 AromaticContact CE1-CE1 3.9Å; F207-F219 HydrophobicContact CE1-CE1 3.9Å; F207-F219 AromaticContact CE2-CD1 3.82Å; F207-F219 HydrophobicContact CE2-CD1 3.82Å; F207-F219 AromaticContact CE2-CE1 3.57Å; F207-F219 HydrophobicContact CE2-CE1 3.57Å; F207-F219 HydrophobicContact CG-CD1 4.18Å; F207-F219 AromaticContact CZ-CD1 3.99Å; F207-F219 HydrophobicContact CZ-CD1 3.99Å; F207-F219 AromaticContact CZ-CE1 3.43Å; F207-F219 HydrophobicContact CZ-CE1 3.43Å; F207-F219 VanDerWaalsContact CZ-CE1 3.43Å; F207-F219 HydrophobicContact CZ-CZ 4.46Å; F207-N652 HydrophobicContact CZ-CB 4.37Å; F207-Q653 HydrophobicContact CE1-CB 4.28Å; F207-Q653 HydrophobicContact CZ-CB 4.21Å; F207-W657 VanDerWaalsContact CE1-O 3.31Å; F207-W657 WeakPolarHBondContact CE1-O 3.32Å |
| 208 | L | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.6 | -28.2 | -172.7 | -68.4 | 173.9 | 0 | 0 | 0 | 114.6 | S148 E181 S203 W210 N211 R212 L223 W227 | S148-L208 PolarHBondContact OG-N 2.81Å; E181-L208 HydrophobicContact CG-CD1 4.48Å; E181-L208 HydrophobicContact CG-CD2 3.93Å; S203-L208 PolarHBondContact OG-N 3.3Å; L208-W210 VanDerWaalsContact C-N 3.34Å; L208-W210 PolarHBondContact O-N 3.18Å; L208-N211 PolarHBondContact O-N 3.09Å; L208-R212 WeakPolarHBondContact O-CB 3.29Å; L208-R212 WeakPolarHBondContact O-CD 3.27Å; L208-R212 WeakPolarHBondContact O-CG 3.5Å; L208-R212 PolarHBondContact O-N 3.19Å; L208-L223 HydrophobicContact CD2-CD1 4Å; L208-L223 HydrophobicContact CD2-CD2 4.48Å; L208-W227 HydrophobicContact CD1-CZ2 3.79Å |
| 209 | A | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -53.9 | -51.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V144 V147 S148 F207 R212 M213 | V144-A209 VanDerWaalsContact O-CB 3.3Å; V144-A209 WeakPolarHBondContact O-CB 3.21Å; V147-A209 HydrophobicContact CG2-CB 4.03Å; S148-A209 WeakPolarHBondContact OG-CB 3.1Å; S148-A209 PolarHBondContact OG-N 3.49Å; F207-A209 VanDerWaalsContact C-N 3.28Å; F207-A209 PolarHBondContact O-N 3.26Å; A209-R212 PolarHBondContact O-N 2.9Å; A209-M213 HydrophobicContact CB-CE 4.46Å; A209-M213 WeakPolarHBondContact O-CE 3.39Å; A209-M213 WeakPolarHBondContact O-CG 3.47Å; A209-M213 PolarHBondContact O-N 3.17Å; A209-M213 VanDerWaalsContact O-N 3.1Å |
| 210 | W | 98.2 | Very high | 97.5 | Very high | 8 Ų | 8 | 14.4 Ų | 14.4 | 3% | 0.03 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -74.9 | -26.8 | -178.9 | -58.9 | -78.7 | 0 | 0 | 0 | 112.9 | Y149 F207 L208 M213 A214 N215 M216 W277 W657 | Y149-W210 HydrophobicContact CD1-CH2 4.09Å; Y149-W210 HydrophobicContact CD2-CH2 4.05Å; Y149-W210 HydrophobicContact CD2-CZ2 4.23Å; Y149-W210 AromaticContact CE1-CH2 3.42Å; Y149-W210 HydrophobicContact CE1-CH2 3.42Å; Y149-W210 VanDerWaalsContact CE1-CH2 3.42Å; Y149-W210 HydrophobicContact CE1-CZ2 4.07Å; Y149-W210 HydrophobicContact CE1-CZ3 4.34Å; Y149-W210 AromaticContact CE2-CH2 3.44Å; Y149-W210 HydrophobicContact CE2-CH2 3.44Å; Y149-W210 VanDerWaalsContact CE2-CH2 3.44Å; Y149-W210 AromaticContact CE2-CZ2 3.32Å; Y149-W210 HydrophobicContact CE2-CZ2 3.32Å; Y149-W210 HydrophobicContact CG-CH2 4.37Å; Y149-W210 AromaticContact CZ-CH2 3.07Å; Y149-W210 AromaticContact CZ-CZ2 3.22Å; Y149-W210 WeakPolarHBondContact OH-CH2 3.42Å; Y149-W210 WeakPolarHBondContact OH-CZ2 3.34Å; F207-W210 HydrophobicContact CB-CE3 4.36Å; F207-W210 HydrophobicContact CD1-CE3 4.39Å; F207-W210 HydrophobicContact CD1-CZ3 4.39Å; F207-W210 PolarHBondContact O-N 3.28Å; F207-W210 VanDerWaalsContact O-N 3.17Å; L208-W210 VanDerWaalsContact C-N 3.34Å; L208-W210 PolarHBondContact O-N 3.18Å; W210-M213 HydrophobicContact CG-CE 4.19Å; W210-A214 PolarHBondContact O-N 2.87Å; W210-A214 VanDerWaalsContact O-N 3.17Å; W210-N215 HydrophobicContact CB-CB 4.07Å; W210-N215 WeakPolarHBondContact O-CB 3.2Å; W210-N215 PolarHBondContact O-N 2.92Å; W210-M216 HydrophobicContact CB-CG 3.6Å; W210-M216 HydrophobicContact CB-SD 3.6Å; W210-M216 HydrophobicContact CE3-SD 4.46Å; W210-M216 HydrophobicContact CG-SD 4.34Å; W210-M216 PolarHBondContact O-N 3.07Å; W210-W277 AromaticContact CD1-CH2 3.67Å; W210-W277 AromaticContact CD1-CZ2 3.84Å; W210-W277 HydrophobicContact CG-CH2 4.19Å; W210-W657 HydrophobicContact CB-CH2 4.37Å; W210-W657 AromaticContact CD2-CH2 3.56Å; W210-W657 HydrophobicContact CD2-CH2 3.56Å; W210-W657 AromaticContact CD2-CZ2 3.31Å; W210-W657 HydrophobicContact CD2-CZ2 3.31Å; W210-W657 AromaticContact CE2-CZ2 3.4Å; W210-W657 AromaticContact CE3-CH2 3.79Å; W210-W657 HydrophobicContact CE3-CH2 3.79Å; W210-W657 AromaticContact CE3-CZ2 3.45Å; W210-W657 HydrophobicContact CE3-CZ2 3.45Å; W210-W657 VanDerWaalsContact CE3-CZ2 3.45Å; W210-W657 AromaticContact CG-CH2 3.75Å; W210-W657 HydrophobicContact CG-CH2 3.75Å; W210-W657 AromaticContact CG-CZ2 3.94Å; W210-W657 HydrophobicContact CG-CZ2 3.94Å; W210-W657 AromaticContact CH2-CZ2 3.9Å; W210-W657 HydrophobicContact CH2-CZ2 3.9Å; W210-W657 AromaticContact CZ2-CZ2 3.73Å; W210-W657 HydrophobicContact CZ2-CZ2 3.73Å; W210-W657 HydrophobicContact CZ3-CH2 4.46Å; W210-W657 AromaticContact CZ3-CZ2 3.73Å; W210-W657 HydrophobicContact CZ3-CZ2 3.73Å; W210-W657 AromaticContact NE1-CZ2 3.85Å |
| 211 | N | 97.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 11 Ų | 11 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67.5 | -43 | 170.8 | -177.3 | -128.3 | 0 | 0 | 0 | 112.5 | F201 S203 F207 L208 M213 A214 M216 | F201-N211 PolarHBondContact O-ND2 2.89Å; S203-N211 WeakPolarHBondContact OG-CB 3.08Å; F207-N211 PolarHBondContact O-N 2.83Å; L208-N211 PolarHBondContact O-N 3.09Å; N211-M213 VanDerWaalsContact C-N 3.33Å; N211-M213 PolarHBondContact O-N 2.9Å; N211-A214 WeakPolarHBondContact O-CA 3.43Å; N211-A214 PolarHBondContact O-N 3.02Å; N211-M216 VanDerWaalsContact CA-O 3.26Å; N211-M216 WeakPolarHBondContact CA-O 3.39Å; N211-M216 PolarHBondContact ND2-O 3.35Å |
| 212 | R | 97.7 | Very high | 97.5 | Very high | 40 Ų | 40 | 12.7 Ų | 12.7 | 15% | 0.151 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.8 | -37.7 | 176.5 | -67.7 | 158.1 | -176.3 | 167.2 | -1.8 | 112.3 | Q180 E181 L208 A209 A214 | Q180-R212 VanDerWaalsContact CD-NE 3.32Å; Q180-R212 VanDerWaalsContact NE2-CD 3.35Å; E181-R212 IonicContact OE1-CZ 2.81Å; E181-R212 IonicContact OE1-NE 3.2Å; E181-R212 PolarHBondContact OE1-NE 3.41Å; E181-R212 IonicContact OE1-NH2 3.65Å; E181-R212 PolarHBondContact OE1-NH2 2.94Å; E181-R212 IonicContact OE2-CZ 3.22Å; E181-R212 IonicContact OE2-NH2 2.77Å; E181-R212 PolarHBondContact OE2-NH2 2.98Å; L208-R212 WeakPolarHBondContact O-CB 3.29Å; L208-R212 WeakPolarHBondContact O-CD 3.27Å; L208-R212 WeakPolarHBondContact O-CG 3.5Å; L208-R212 PolarHBondContact O-N 3.19Å; A209-R212 PolarHBondContact O-N 2.9Å; R212-A214 PolarHBondContact O-N 2.81Å |
| 213 | M | 97.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 3% | 0.034 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 2.2 | 173 | -68.8 | -173.5 | -67.3 | 0 | 0 | 113.7 | V144 A209 W210 N211 N215 N324 M326 | V144-M213 HydrophobicContact CG2-CE 3.98Å; V144-M213 HydrophobicContact CG2-CG 4.14Å; V144-M213 HydrophobicContact CG2-SD 3.39Å; V144-M213 WeakPolarHBondContact CG2-SD 3.49Å; A209-M213 HydrophobicContact CB-CE 4.46Å; A209-M213 WeakPolarHBondContact O-CE 3.39Å; A209-M213 WeakPolarHBondContact O-CG 3.47Å; A209-M213 PolarHBondContact O-N 3.17Å; A209-M213 VanDerWaalsContact O-N 3.1Å; W210-M213 HydrophobicContact CG-CE 4.19Å; N211-M213 VanDerWaalsContact C-N 3.33Å; N211-M213 PolarHBondContact O-N 2.9Å; M213-N215 WeakPolarHBondContact CB-OD1 3.47Å; M213-N215 PolarHBondContact O-N 3.1Å; M213-N324 HydrophobicContact CB-CB 4.36Å; M213-N324 HydrophobicContact CG-CB 4.37Å; M213-N324 HydrophobicContact SD-CB 3.96Å; M213-N324 VanDerWaalsContact SD-CG 3.59Å; M213-N324 PolarHBondContact SD-ND2 3.25Å; M213-M326 WeakPolarHBondContact O-CE 3.48Å |
| 214 | A | 96.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 24.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | W210 N211 R212 N257 S287 I289 M326 | W210-A214 PolarHBondContact O-N 2.87Å; W210-A214 VanDerWaalsContact O-N 3.17Å; N211-A214 WeakPolarHBondContact O-CA 3.43Å; N211-A214 PolarHBondContact O-N 3.02Å; R212-A214 PolarHBondContact O-N 2.81Å; A214-N257 HydrophobicContact CB-CB 3.42Å; A214-N257 VanDerWaalsContact CB-CB 3.42Å; A214-N257 VanDerWaalsContact CB-ND2 3.27Å; A214-N257 WeakPolarHBondContact CB-ND2 3.28Å; A214-S287 VanDerWaalsContact O-CB 3.24Å; A214-S287 WeakPolarHBondContact O-CB 3.28Å; A214-S287 PolarHBondContact O-OG 3.49Å; A214-I289 HydrophobicContact CB-CD1 4.22Å; A214-M326 HydrophobicContact CB-CE 3.99Å |
| 215 | N | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -79.5 | -33.1 | 174.1 | -57.7 | 115.6 | 0 | 0 | 0 | 111.9 | W210 M213 W277 S285 N324 | W210-N215 HydrophobicContact CB-CB 4.07Å; W210-N215 WeakPolarHBondContact O-CB 3.2Å; W210-N215 PolarHBondContact O-N 2.92Å; M213-N215 WeakPolarHBondContact CB-OD1 3.47Å; M213-N215 PolarHBondContact O-N 3.1Å; N215-W277 HydrophobicContact CB-CB 4.37Å; N215-W277 HydrophobicContact CB-CD2 3.66Å; N215-W277 HydrophobicContact CB-CE3 3.92Å; N215-W277 HydrophobicContact CB-CG 3.85Å; N215-W277 HydrophobicContact CB-CZ3 4.46Å; N215-S285 WeakPolarHBondContact O-CB 3.4Å; N215-S285 PolarHBondContact O-OG 3.34Å; N215-N324 PolarHBondContact ND2-O 2.66Å |
| 216 | M | 96.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -146.7 | 162.1 | -175.1 | 68.4 | -175.7 | -64.8 | 0 | 0 | 113.2 | F207 W210 N211 F219 F280 F284 W657 | F207-M216 HydrophobicContact CB-CE 3.87Å; F207-M216 HydrophobicContact CB-SD 3.9Å; F207-M216 HydrophobicContact CD1-CE 4.24Å; F207-M216 HydrophobicContact CD1-SD 4.41Å; F207-M216 HydrophobicContact CG-CE 4.11Å; F207-M216 HydrophobicContact CG-SD 4.48Å; W210-M216 HydrophobicContact CB-CG 3.6Å; W210-M216 HydrophobicContact CB-SD 3.6Å; W210-M216 HydrophobicContact CE3-SD 4.46Å; W210-M216 HydrophobicContact CG-SD 4.34Å; W210-M216 PolarHBondContact O-N 3.07Å; N211-M216 VanDerWaalsContact CA-O 3.26Å; N211-M216 WeakPolarHBondContact CA-O 3.39Å; N211-M216 PolarHBondContact ND2-O 3.35Å; M216-F219 HydrophobicContact CE-CB 3.7Å; M216-F219 HydrophobicContact CE-CD1 3.81Å; M216-F219 HydrophobicContact CE-CG 4.2Å; M216-F280 HydrophobicContact CE-CE1 4.29Å; M216-F280 HydrophobicContact CE-CZ 4.38Å; M216-F284 CarbonylContact C-O 3.55Å; M216-F284 WeakPolarHBondContact CA-O 3.42Å; M216-F284 WeakPolarHBondContact CB-O 3.32Å; M216-W657 HydrophobicContact SD-CH2 3.81Å; M216-W657 HydrophobicContact SD-CZ3 3.97Å | ||
| 217 | D | 95.6 | Very high | 97.2 | Very high | 20 Ų | 20 | 19.3 Ų | 19.3 | 11% | 0.107 | 10% | 0.102 | C | C | . | . | trans | -142.9 | 166 | 175.6 | 47.8 | 47.3 | 0 | 0 | 0 | 109.9 | F201 F219 F284 S285 | F201-D217 VanDerWaalsContact O-CB 3.3Å; F201-D217 WeakPolarHBondContact O-CB 3.12Å; D217-F219 PolarHBondContact O-N 2.74Å; D217-F284 PolarHBondContact N-O 2.73Å; D217-F284 CarbonylContact O-C 3.35Å; D217-F284 VanDerWaalsContact O-CA 3.32Å; D217-F284 WeakPolarHBondContact O-CA 3.46Å; D217-F284 WeakPolarHBondContact OD1-CA 3.39Å; D217-S285 PolarHBondContact OD1-N 3.18Å | ||
| 218 | K | 96.6 | Very high | 97.2 | Very high | 85 Ų | 85 | 19.5 Ų | 19.5 | 37% | 0.37 | 10% | 0.103 | S | C | . | . | S | Bend | trans | 63 | -40.6 | 170.1 | -172.7 | 176.7 | -177.2 | 168.1 | 0 | 118.6 | F202 G220 G221 F284 | F202-K218 WeakPolarHBondContact O-CA 3.33Å; K218-G220 PolarHBondContact O-N 2.76Å; K218-G221 PolarHBondContact O-N 3.35Å; K218-F284 HydrophobicContact CB-CD1 4.16Å; K218-F284 HydrophobicContact CD-CD1 4.4Å; K218-F284 HydrophobicContact CD-CE1 4.31Å; K218-F284 HydrophobicContact CG-CD1 4.31Å; K218-F284 HydrophobicContact CG-CE1 4.32Å |
| 219 | F | 97.9 | Very high | 97.2 | Very high | 15 Ų | 15 | 23.5 Ų | 23.5 | 7% | 0.066 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 135.8 | -172.2 | 179 | -108.2 | 0 | 0 | 0 | 111.6 | S203 G204 F207 M216 D217 G221 F280 F284 N652 G658 P659 | S203-F219 CarbonylContact C-O 3.6Å; S203-F219 WeakPolarHBondContact CA-O 3.46Å; S203-F219 WeakPolarHBondContact CB-O 3.04Å; G204-F219 PolarHBondContact N-O 2.81Å; F207-F219 HydrophobicContact CD1-CD1 4.32Å; F207-F219 HydrophobicContact CD1-CE1 4.45Å; F207-F219 AromaticContact CD2-CD1 3.92Å; F207-F219 HydrophobicContact CD2-CD1 3.92Å; F207-F219 HydrophobicContact CD2-CE1 4.16Å; F207-F219 HydrophobicContact CE1-CD1 4.23Å; F207-F219 AromaticContact CE1-CE1 3.9Å; F207-F219 HydrophobicContact CE1-CE1 3.9Å; F207-F219 AromaticContact CE2-CD1 3.82Å; F207-F219 HydrophobicContact CE2-CD1 3.82Å; F207-F219 AromaticContact CE2-CE1 3.57Å; F207-F219 HydrophobicContact CE2-CE1 3.57Å; F207-F219 HydrophobicContact CG-CD1 4.18Å; F207-F219 AromaticContact CZ-CD1 3.99Å; F207-F219 HydrophobicContact CZ-CD1 3.99Å; F207-F219 AromaticContact CZ-CE1 3.43Å; F207-F219 HydrophobicContact CZ-CE1 3.43Å; F207-F219 VanDerWaalsContact CZ-CE1 3.43Å; F207-F219 HydrophobicContact CZ-CZ 4.46Å; M216-F219 HydrophobicContact CE-CB 3.7Å; M216-F219 HydrophobicContact CE-CD1 3.81Å; M216-F219 HydrophobicContact CE-CG 4.2Å; D217-F219 PolarHBondContact O-N 2.74Å; F219-G221 PolarHBondContact O-N 2.71Å; F219-F280 HydrophobicContact CG-CE1 4.5Å; F219-F284 HydrophobicContact CB-CB 4.27Å; F219-F284 HydrophobicContact CB-CD1 3.8Å; F219-F284 HydrophobicContact CB-CE1 4.37Å; F219-F284 HydrophobicContact CB-CG 4.11Å; F219-F284 HydrophobicContact CD2-CE1 4.49Å; F219-N652 WeakPolarHBondContact CE1-OD1 3.02Å; F219-G658 VanDerWaalsContact CZ-C 3.45Å; F219-P659 HydrophobicContact CD2-CB 4.47Å; F219-P659 HydrophobicContact CD2-CG 4.27Å; F219-P659 HydrophobicContact CE2-CB 3.9Å; F219-P659 VanDerWaalsContact CE2-CD 3.43Å; F219-P659 HydrophobicContact CE2-CG 4.08Å |
| 220 | G | 97.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -7.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G204 K218 L645 N649 | G204-G220 WeakPolarHBondContact CA-O 3.37Å; G204-G220 VanDerWaalsContact N-C 3.32Å; K218-G220 PolarHBondContact O-N 2.76Å; G220-L645 WeakPolarHBondContact O-CD1 3.34Å; G220-N649 PolarHBondContact O-ND2 3.18Å |
| 221 | G | 96.3 | Very high | 97.1 | Very high | 21 Ų | 21 | 27.2 Ų | 27.2 | 22% | 0.216 | 15% | 0.148 | C | C | . | . | trans | -86.9 | -171.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K218 F219 | K218-G221 PolarHBondContact O-N 3.35Å; F219-G221 PolarHBondContact O-N 2.71Å | ||
| 222 | P | 96.8 | Very high | 97.1 | Very high | 50 Ų | 50 | 29 Ų | 29 | 33% | 0.325 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | cis | -74.5 | 156.3 | 0.3 | 30.6 | -35.6 | 0 | 0 | 0 | 113 | E199 P224 L645 | E199-P222 HydrophobicContact CB-CB 3.92Å; E199-P222 HydrophobicContact CG-CB 3.63Å; E199-P222 HydrophobicContact CG-CG 4.44Å; P222-P224 WeakPolarHBondContact O-CD 3.4Å; P222-L645 WeakPolarHBondContact O-CD2 3.4Å |
| 223 | L | 96.1 | Very high | 97.1 | Very high | 17 Ų | 17 | 33.9 Ų | 33.9 | 9% | 0.089 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 121.8 | 169.4 | -68.9 | 178.6 | 0 | 0 | 0 | 109.9 | E181 F202 S203 P205 L208 W227 | E181-L223 HydrophobicContact CB-CD1 3.98Å; E181-L223 HydrophobicContact CG-CD1 3.79Å; F202-L223 HydrophobicContact CB-CD1 3.65Å; F202-L223 HydrophobicContact CB-CG 3.98Å; F202-L223 HydrophobicContact CD1-CD1 4.39Å; F202-L223 HydrophobicContact CD2-CD1 4.45Å; F202-L223 HydrophobicContact CG-CD1 3.94Å; S203-L223 VanDerWaalsContact O-CD2 3.3Å; S203-L223 WeakPolarHBondContact O-CD2 3.23Å; S203-L223 VanDerWaalsContact O-CG 3.27Å; S203-L223 WeakPolarHBondContact O-CG 3.43Å; P205-L223 HydrophobicContact CG-CD2 3.77Å; L208-L223 HydrophobicContact CD2-CD1 4Å; L208-L223 HydrophobicContact CD2-CD2 4.48Å; L223-W227 HydrophobicContact CD2-CG 4.17Å |
| 224 | P | 96.9 | Very high | 97.2 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 153.9 | 177.1 | 30.3 | -34.9 | 0 | 0 | 0 | 111.2 | P222 S226 W227 E642 Y646 | P222-P224 WeakPolarHBondContact O-CD 3.4Å; P224-S226 WeakPolarHBondContact CG-OG 3.49Å; P224-S226 PolarHBondContact O-N 2.96Å; P224-S226 VanDerWaalsContact O-N 3.1Å; P224-W227 HydrophobicContact CG-CB 4.13Å; P224-W227 WeakPolarHBondContact O-CB 3.1Å; P224-W227 PolarHBondContact O-N 3.45Å; P224-E642 HydrophobicContact CB-CG 3.94Å; P224-E642 HydrophobicContact CG-CG 3.99Å; P224-Y646 HydrophobicContact CG-CE1 4.17Å; P224-Y646 WeakPolarHBondContact CG-OH 3.45Å |
| 225 | Q | 96.8 | Very high | 97.3 | Very high | 88 Ų | 88 | 34.1 Ų | 34.1 | 41% | 0.411 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58 | -30 | 178.4 | -164.8 | 60.7 | 25.5 | 0 | 0 | 112.9 | Q185 W227 H228 V229 | Q185-Q225 VanDerWaalsContact OE1-OE1 3.08Å; Q225-W227 PolarHBondContact O-N 2.81Å; Q225-H228 PolarHBondContact O-N 2.85Å; Q225-V229 PolarHBondContact O-N 3.09Å |
| 226 | S | 97.4 | Very high | 97.4 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.8 | -38.2 | 173.7 | 65.6 | 0 | 0 | 0 | 0 | 112.7 | P224 N230 E642 | P224-S226 WeakPolarHBondContact CG-OG 3.49Å; P224-S226 PolarHBondContact O-N 2.96Å; P224-S226 VanDerWaalsContact O-N 3.1Å; S226-N230 VanDerWaalsContact O-CB 3.24Å; S226-N230 WeakPolarHBondContact O-CB 3.38Å; S226-N230 PolarHBondContact O-N 2.82Å; S226-N230 PolarHBondContact O-ND2 3.36Å; S226-N230 VanDerWaalsContact O-ND2 3.15Å; S226-E642 PolarHBondContact OG-OE1 2.93Å; S226-E642 PolarHBondContact OG-OE2 2.83Å |
| 227 | W | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 3% | 0.034 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -53.4 | 176.3 | 179.3 | -98.6 | 0 | 0 | 0 | 110.6 | V152 W153 P205 L208 L223 P224 Q225 V229 N230 Q231 | V152-W227 HydrophobicContact CG2-CH2 3.82Å; V152-W227 WeakPolarHBondContact O-CH2 3.31Å; W153-W227 HydrophobicContact CE3-CZ3 4.33Å; W153-W227 HydrophobicContact CZ3-CZ3 4.04Å; P205-W227 HydrophobicContact CB-CD2 4.33Å; P205-W227 HydrophobicContact CB-CE3 4.09Å; P205-W227 HydrophobicContact CB-CH2 3.57Å; P205-W227 HydrophobicContact CB-CZ2 3.78Å; P205-W227 HydrophobicContact CB-CZ3 3.71Å; P205-W227 HydrophobicContact CG-CD2 4.05Å; P205-W227 HydrophobicContact CG-CE3 3.88Å; P205-W227 HydrophobicContact CG-CH2 4.27Å; P205-W227 HydrophobicContact CG-CZ2 4.39Å; P205-W227 HydrophobicContact CG-CZ3 3.99Å; L208-W227 HydrophobicContact CD1-CZ2 3.79Å; L223-W227 HydrophobicContact CD2-CG 4.17Å; P224-W227 HydrophobicContact CG-CB 4.13Å; P224-W227 WeakPolarHBondContact O-CB 3.1Å; P224-W227 PolarHBondContact O-N 3.45Å; Q225-W227 PolarHBondContact O-N 2.81Å; W227-V229 VanDerWaalsContact C-N 3.34Å; W227-V229 PolarHBondContact O-N 3.16Å; W227-N230 PolarHBondContact O-N 2.58Å; W227-Q231 HydrophobicContact CD2-CG 3.71Å; W227-Q231 VanDerWaalsContact CE2-CG 3.43Å; W227-Q231 HydrophobicContact CE3-CG 4.2Å; W227-Q231 HydrophobicContact CG-CG 4.12Å; W227-Q231 HydrophobicContact CH2-CG 4.13Å; W227-Q231 HydrophobicContact CZ2-CG 3.67Å; W227-Q231 HydrophobicContact CZ3-CG 4.39Å; W227-Q231 VanDerWaalsContact CZ3-NE2 3.29Å; W227-Q231 WeakPolarHBondContact O-CB 3.33Å; W227-Q231 WeakPolarHBondContact O-CG 3.49Å; W227-Q231 PolarHBondContact O-N 3.41Å |
| 228 | H | 97.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.023 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.7 | -47.8 | -178.9 | -65.3 | -75.3 | 0 | 0 | 0 | 111.9 | A182 Q225 L232 | A182-H228 WeakPolarHBondContact CA-ND1 3.45Å; A182-H228 HydrophobicContact CB-CB 3.84Å; A182-H228 PolarHBondContact N-ND1 3.42Å; Q225-H228 PolarHBondContact O-N 2.85Å; H228-L232 VanDerWaalsContact O-CB 3.24Å; H228-L232 WeakPolarHBondContact O-CB 3.28Å; H228-L232 PolarHBondContact O-N 3.43Å |
| 229 | V | 97.4 | Very high | 97.7 | Very high | 87 Ų | 87 | 35.7 Ų | 35.7 | 53% | 0.527 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.4 | -48.3 | 179.8 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | Q225 W227 L232 Y233 | Q225-V229 PolarHBondContact O-N 3.09Å; W227-V229 VanDerWaalsContact C-N 3.34Å; W227-V229 PolarHBondContact O-N 3.16Å; V229-L232 PolarHBondContact O-N 3.45Å; V229-Y233 PolarHBondContact O-N 3.41Å; V229-Y233 VanDerWaalsContact O-N 3.08Å |
| 230 | N | 97.1 | Very high | 97.8 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.7 | -41.1 | -176.4 | -72.7 | -23.9 | 0 | 0 | 0 | 112.2 | S226 W227 Y233 L234 | S226-N230 VanDerWaalsContact O-CB 3.24Å; S226-N230 WeakPolarHBondContact O-CB 3.38Å; S226-N230 PolarHBondContact O-N 2.82Å; S226-N230 PolarHBondContact O-ND2 3.36Å; S226-N230 VanDerWaalsContact O-ND2 3.15Å; W227-N230 PolarHBondContact O-N 2.58Å; N230-Y233 PolarHBondContact O-N 3.14Å; N230-L234 WeakPolarHBondContact O-CB 3.4Å; N230-L234 PolarHBondContact O-N 3.09Å |
| 231 | Q | 98.2 | Very high | 97.9 | Very high | 16 Ų | 16 | 43.5 Ų | 43.5 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.9 | -36.6 | 179.2 | -64.2 | -58.8 | -37.9 | 0 | 0 | 111.8 | T178 W227 L234 Q235 | T178-Q231 HydrophobicContact CG2-CB 4.21Å; W227-Q231 HydrophobicContact CD2-CG 3.71Å; W227-Q231 VanDerWaalsContact CE2-CG 3.43Å; W227-Q231 HydrophobicContact CE3-CG 4.2Å; W227-Q231 HydrophobicContact CG-CG 4.12Å; W227-Q231 HydrophobicContact CH2-CG 4.13Å; W227-Q231 HydrophobicContact CZ2-CG 3.67Å; W227-Q231 HydrophobicContact CZ3-CG 4.39Å; W227-Q231 VanDerWaalsContact CZ3-NE2 3.29Å; W227-Q231 WeakPolarHBondContact O-CB 3.33Å; W227-Q231 WeakPolarHBondContact O-CG 3.49Å; W227-Q231 PolarHBondContact O-N 3.41Å; Q231-L234 PolarHBondContact O-N 2.85Å; Q231-Q235 WeakPolarHBondContact O-CB 3.19Å; Q231-Q235 PolarHBondContact O-N 2.84Å |
| 232 | L | 97.7 | Very high | 98 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 22% | 0.22 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 173.7 | -177 | 60.9 | 0 | 0 | 0 | 111.1 | A182 L183 H228 V229 L234 Q235 F236 F312 | A182-L232 HydrophobicContact CB-CB 4.46Å; L183-L232 HydrophobicContact CD2-CD1 4.26Å; H228-L232 VanDerWaalsContact O-CB 3.24Å; H228-L232 WeakPolarHBondContact O-CB 3.28Å; H228-L232 PolarHBondContact O-N 3.43Å; V229-L232 PolarHBondContact O-N 3.45Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.35Å; L232-Q235 PolarHBondContact O-N 2.84Å; L232-F236 HydrophobicContact CD1-CE2 3.95Å; L232-F236 HydrophobicContact CG-CD2 4.43Å; L232-F236 HydrophobicContact CG-CE2 3.88Å; L232-F236 WeakPolarHBondContact O-CD2 3.16Å; L232-F236 PolarHBondContact O-N 2.73Å; L232-F312 HydrophobicContact CD1-CE1 3.51Å; L232-F312 HydrophobicContact CD1-CZ 3.39Å |
| 233 | Y | 98 | Very high | 98.1 | Very high | 142 Ų | 142 | 42.8 Ų | 42.8 | 56% | 0.557 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.2 | -42 | 175.1 | 176.6 | -104.1 | 0 | 0 | 0 | 112.8 | V229 N230 F236 K237 | V229-Y233 PolarHBondContact O-N 3.41Å; V229-Y233 VanDerWaalsContact O-N 3.08Å; N230-Y233 PolarHBondContact O-N 3.14Å; Y233-F236 PolarHBondContact O-N 2.74Å; Y233-K237 HydrophobicContact CE1-CD 4.13Å; Y233-K237 VanDerWaalsContact CE1-CE 3.4Å; Y233-K237 WeakPolarHBondContact OH-CE 3.29Å; Y233-K237 PolarHBondContact OH-NZ 2.99Å |
| 234 | L | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 178.2 | -178.8 | 58.4 | 0 | 0 | 0 | 111.4 | W156 W159 T178 N230 Q231 L232 F236 K237 I238 | W156-L234 HydrophobicContact CB-CD1 4.09Å; W156-L234 HydrophobicContact CE3-CD1 4.21Å; W159-L234 HydrophobicContact CG-CD1 4.46Å; T178-L234 HydrophobicContact CG2-CB 4.23Å; T178-L234 HydrophobicContact CG2-CD2 3.98Å; T178-L234 HydrophobicContact CG2-CG 4.12Å; N230-L234 WeakPolarHBondContact O-CB 3.4Å; N230-L234 PolarHBondContact O-N 3.09Å; Q231-L234 PolarHBondContact O-N 2.85Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.35Å; L234-F236 VanDerWaalsContact C-N 3.33Å; L234-F236 PolarHBondContact O-N 3.19Å; L234-K237 PolarHBondContact O-N 3.01Å; L234-K237 VanDerWaalsContact O-N 3.15Å; L234-I238 HydrophobicContact CD1-CD1 4.31Å; L234-I238 HydrophobicContact CD1-CG1 4.45Å; L234-I238 HydrophobicContact CD2-CD1 4.49Å; L234-I238 HydrophobicContact CG-CD1 3.84Å; L234-I238 HydrophobicContact CG-CG1 4.43Å; L234-I238 WeakPolarHBondContact O-CG1 3.35Å; L234-I238 PolarHBondContact O-N 2.96Å |
| 235 | Q | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 179.5 | -178.5 | 64.5 | -8 | 0 | 0 | 112.6 | A176 T178 Q231 L232 K237 I238 L239 F312 | A176-Q235 PolarHBondContact O-NE2 3.47Å; T178-Q235 HydrophobicContact CG2-CB 4.36Å; T178-Q235 VanDerWaalsContact O-CB 3.29Å; T178-Q235 WeakPolarHBondContact O-CB 3.47Å; T178-Q235 WeakPolarHBondContact O-CG 3.39Å; Q231-Q235 WeakPolarHBondContact O-CB 3.19Å; Q231-Q235 PolarHBondContact O-N 2.84Å; L232-Q235 PolarHBondContact O-N 2.84Å; Q235-K237 VanDerWaalsContact C-N 3.29Å; Q235-K237 PolarHBondContact O-N 2.93Å; Q235-I238 PolarHBondContact O-N 2.82Å; Q235-L239 HydrophobicContact CG-CD1 3.91Å; Q235-L239 HydrophobicContact CG-CG 4.21Å; Q235-L239 WeakPolarHBondContact O-CB 3.15Å; Q235-L239 WeakPolarHBondContact O-CG 3.25Å; Q235-L239 PolarHBondContact O-N 3.07Å; Q235-F312 HydrophobicContact CB-CE1 4.16Å; Q235-F312 HydrophobicContact CB-CZ 4.03Å; Q235-F312 HydrophobicContact CG-CD1 4.25Å; Q235-F312 HydrophobicContact CG-CD2 4.39Å; Q235-F312 HydrophobicContact CG-CE1 3.71Å; Q235-F312 HydrophobicContact CG-CE2 3.86Å; Q235-F312 HydrophobicContact CG-CZ 3.49Å; Q235-F312 VanDerWaalsContact CG-CZ 3.49Å |
| 236 | F | 98.8 | Very high | 98.4 | Very high | 86 Ų | 86 | 37.4 Ų | 37.4 | 38% | 0.377 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -55.7 | -45 | 174.4 | -78.9 | -66.7 | 0 | 0 | 0 | 112.3 | L232 Y233 L234 E240 Q311 F312 | L232-F236 HydrophobicContact CD1-CE2 3.95Å; L232-F236 HydrophobicContact CG-CD2 4.43Å; L232-F236 HydrophobicContact CG-CE2 3.88Å; L232-F236 WeakPolarHBondContact O-CD2 3.16Å; L232-F236 PolarHBondContact O-N 2.73Å; Y233-F236 PolarHBondContact O-N 2.74Å; L234-F236 VanDerWaalsContact C-N 3.33Å; L234-F236 PolarHBondContact O-N 3.19Å; F236-E240 WeakPolarHBondContact O-CB 3.42Å; F236-E240 PolarHBondContact O-N 2.73Å; F236-Q311 WeakPolarHBondContact CE1-O 3.45Å; F236-F312 HydrophobicContact CD1-CD1 4.18Å; F236-F312 HydrophobicContact CD1-CE1 4.39Å; F236-F312 HydrophobicContact CD2-CE1 4.45Å; F236-F312 AromaticContact CE1-CD1 3.85Å; F236-F312 HydrophobicContact CE1-CD1 3.85Å; F236-F312 HydrophobicContact CE1-CE1 4.13Å; F236-F312 HydrophobicContact CE2-CE1 4.17Å; F236-F312 HydrophobicContact CZ-CD1 4.11Å; F236-F312 AromaticContact CZ-CE1 3.99Å; F236-F312 HydrophobicContact CZ-CE1 3.99Å |
| 237 | K | 98.8 | Very high | 98.5 | Very high | 50 Ų | 50 | 37 Ų | 37 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.6 | -40.4 | 178.1 | -65.1 | -172.7 | 170.5 | 179.1 | 0 | 112.8 | W156 Y233 L234 Q235 R241 | W156-K237 HydrophobicContact CB-CD 4.07Å; W156-K237 HydrophobicContact CD2-CB 3.85Å; W156-K237 HydrophobicContact CD2-CD 3.6Å; W156-K237 HydrophobicContact CD2-CG 4.38Å; W156-K237 HydrophobicContact CE3-CB 3.41Å; W156-K237 VanDerWaalsContact CE3-CB 3.41Å; W156-K237 HydrophobicContact CE3-CD 3.98Å; W156-K237 HydrophobicContact CE3-CG 4.37Å; W156-K237 HydrophobicContact CG-CD 3.61Å; W156-K237 HydrophobicContact CH2-CB 3.93Å; W156-K237 WeakPolarHBondContact CH2-O 3.33Å; W156-K237 HydrophobicContact CZ2-CB 4.31Å; W156-K237 VanDerWaalsContact CZ3-C 3.47Å; W156-K237 HydrophobicContact CZ3-CB 3.47Å; W156-K237 VanDerWaalsContact CZ3-CB 3.47Å; W156-K237 WeakPolarHBondContact CZ3-O 3.47Å; Y233-K237 HydrophobicContact CE1-CD 4.13Å; Y233-K237 VanDerWaalsContact CE1-CE 3.4Å; Y233-K237 WeakPolarHBondContact OH-CE 3.29Å; Y233-K237 PolarHBondContact OH-NZ 2.99Å; L234-K237 PolarHBondContact O-N 3.01Å; L234-K237 VanDerWaalsContact O-N 3.15Å; Q235-K237 VanDerWaalsContact C-N 3.29Å; Q235-K237 PolarHBondContact O-N 2.93Å; K237-R241 WeakPolarHBondContact O-CB 3.39Å; K237-R241 PolarHBondContact O-N 3.26Å |
| 238 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.9 | -53.3 | 177 | -70.6 | 168.2 | 0 | 0 | 0 | 109.5 | W156 W159 I163 T178 L234 Q235 R241 M242 | W156-I238 HydrophobicContact CZ3-CG1 4.28Å; W159-I238 HydrophobicContact CB-CG1 4.24Å; W159-I238 HydrophobicContact CD2-CD1 3.48Å; W159-I238 VanDerWaalsContact CD2-CD1 3.48Å; W159-I238 HydrophobicContact CD2-CG1 3.83Å; W159-I238 VanDerWaalsContact CE2-CD1 3.48Å; W159-I238 HydrophobicContact CE3-CD1 3.95Å; W159-I238 HydrophobicContact CE3-CG1 4.04Å; W159-I238 HydrophobicContact CE3-CG2 4.45Å; W159-I238 HydrophobicContact CG-CD1 3.79Å; W159-I238 HydrophobicContact CG-CG1 3.94Å; W159-I238 HydrophobicContact CH2-CD1 4.37Å; W159-I238 HydrophobicContact CZ2-CD1 3.95Å; W159-I238 HydrophobicContact CZ3-CD1 4.37Å; W159-I238 HydrophobicContact CZ3-CG2 4.48Å; I163-I238 HydrophobicContact CD1-CG2 4.31Å; T178-I238 HydrophobicContact CG2-CD1 4.24Å; L234-I238 HydrophobicContact CD1-CD1 4.31Å; L234-I238 HydrophobicContact CD1-CG1 4.45Å; L234-I238 HydrophobicContact CD2-CD1 4.49Å; L234-I238 HydrophobicContact CG-CD1 3.84Å; L234-I238 HydrophobicContact CG-CG1 4.43Å; L234-I238 WeakPolarHBondContact O-CG1 3.35Å; L234-I238 PolarHBondContact O-N 2.96Å; Q235-I238 PolarHBondContact O-N 2.82Å; I238-R241 PolarHBondContact O-N 3.3Å; I238-M242 HydrophobicContact CG2-CE 3.68Å; I238-M242 HydrophobicContact CG2-CG 4.36Å; I238-M242 HydrophobicContact CG2-SD 3.69Å; I238-M242 WeakPolarHBondContact O-CB 3.33Å; I238-M242 VanDerWaalsContact O-CG 3.31Å; I238-M242 WeakPolarHBondContact O-CG 3.23Å; I238-M242 PolarHBondContact O-N 3.06Å |
| 239 | L | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | -178.1 | -68.8 | 175.4 | 0 | 0 | 0 | 112.3 | A176 Q235 R241 M242 R243 P249 L251 F312 | A176-L239 HydrophobicContact CB-CD2 3.8Å; Q235-L239 HydrophobicContact CG-CD1 3.91Å; Q235-L239 HydrophobicContact CG-CG 4.21Å; Q235-L239 WeakPolarHBondContact O-CB 3.15Å; Q235-L239 WeakPolarHBondContact O-CG 3.25Å; Q235-L239 PolarHBondContact O-N 3.07Å; L239-R241 VanDerWaalsContact C-N 3.32Å; L239-R241 PolarHBondContact O-N 2.94Å; L239-M242 PolarHBondContact O-N 2.97Å; L239-R243 VanDerWaalsContact O-CB 3.32Å; L239-R243 WeakPolarHBondContact O-CB 3.41Å; L239-R243 WeakPolarHBondContact O-CD 3.36Å; L239-R243 VanDerWaalsContact O-CG 3.27Å; L239-R243 WeakPolarHBondContact O-CG 3.34Å; L239-R243 PolarHBondContact O-N 3.44Å; L239-P249 HydrophobicContact CD2-CB 3.47Å; L239-P249 VanDerWaalsContact CD2-CB 3.47Å; L239-P249 HydrophobicContact CD2-CG 3.76Å; L239-L251 HydrophobicContact CD1-CD2 4.32Å; L239-L251 HydrophobicContact CD2-CD2 4Å; L239-F312 HydrophobicContact CD1-CB 3.57Å; L239-F312 HydrophobicContact CD1-CD1 3.8Å; L239-F312 HydrophobicContact CD1-CD2 4.32Å; L239-F312 HydrophobicContact CD1-CG 3.65Å |
| 240 | E | 98.8 | Very high | 98.6 | Very high | 139 Ų | 139 | 32.6 Ų | 32.6 | 65% | 0.65 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -56.3 | -48.7 | 175.9 | -176.4 | -176.2 | -169.3 | 0 | 0 | 110.6 | F236 A244 | F236-E240 WeakPolarHBondContact O-CB 3.42Å; F236-E240 PolarHBondContact O-N 2.73Å; E240-A244 WeakPolarHBondContact O-CB 3.19Å; E240-A244 PolarHBondContact O-N 2.88Å |
| 241 | R | 98.9 | Very high | 98.7 | Very high | 45 Ų | 45 | 29.2 Ų | 29.2 | 17% | 0.17 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.2 | -43.1 | -178.3 | -179.2 | 60.4 | 64.2 | 83.1 | 4.3 | 113.1 | R49 W156 E160 I163 D164 K237 I238 L239 A244 F245 | R49-R241 VanDerWaalsContact CZ-NH1 3.27Å; W156-R241 HydrophobicContact CH2-CB 3.7Å; W156-R241 HydrophobicContact CH2-CG 4.18Å; E160-R241 IonicContact OE1-CZ 2.74Å; E160-R241 IonicContact OE1-NH1 3.38Å; E160-R241 PolarHBondContact OE1-NH1 3.48Å; E160-R241 IonicContact OE1-NH2 2.76Å; E160-R241 PolarHBondContact OE1-NH2 3.02Å; I163-R241 HydrophobicContact CB-CG 4.18Å; I163-R241 HydrophobicContact CD1-CB 4.09Å; I163-R241 HydrophobicContact CD1-CG 4.06Å; I163-R241 HydrophobicContact CG2-CG 3.72Å; D164-R241 IonicContact OD1-NH1 3.69Å; K237-R241 WeakPolarHBondContact O-CB 3.39Å; K237-R241 PolarHBondContact O-N 3.26Å; I238-R241 PolarHBondContact O-N 3.3Å; L239-R241 VanDerWaalsContact C-N 3.32Å; L239-R241 PolarHBondContact O-N 2.94Å; R241-A244 PolarHBondContact O-N 3.31Å; R241-F245 HydrophobicContact CG-CD2 4.1Å; R241-F245 HydrophobicContact CG-CE2 3.8Å; R241-F245 VanDerWaalsContact O-CD2 3.25Å; R241-F245 WeakPolarHBondContact O-CD2 3.29Å; R241-F245 PolarHBondContact O-N 3.44Å |
| 242 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.8 | -50.4 | 176.8 | -75.2 | 178.5 | 168.9 | 0 | 0 | 110.7 | W159 I163 M166 P174 A176 I238 L239 A244 F245 G246 M247 P249 | W159-M242 HydrophobicContact CZ3-CE 4.29Å; I163-M242 HydrophobicContact CD1-CG 4.17Å; I163-M242 HydrophobicContact CG1-CE 4.22Å; I163-M242 HydrophobicContact CG1-CG 4.23Å; I163-M242 HydrophobicContact CG2-CG 4.17Å; M166-M242 HydrophobicContact CE-CE 4.1Å; M166-M242 HydrophobicContact SD-CE 4.01Å; P174-M242 HydrophobicContact CB-CE 3.66Å; P174-M242 HydrophobicContact CB-SD 4.18Å; P174-M242 HydrophobicContact CG-CE 3.7Å; P174-M242 HydrophobicContact CG-CG 4.16Å; P174-M242 HydrophobicContact CG-SD 3.56Å; P174-M242 VanDerWaalsContact CG-SD 3.56Å; A176-M242 HydrophobicContact CB-SD 4.32Å; I238-M242 HydrophobicContact CG2-CE 3.68Å; I238-M242 HydrophobicContact CG2-CG 4.36Å; I238-M242 HydrophobicContact CG2-SD 3.69Å; I238-M242 WeakPolarHBondContact O-CB 3.33Å; I238-M242 VanDerWaalsContact O-CG 3.31Å; I238-M242 WeakPolarHBondContact O-CG 3.23Å; I238-M242 PolarHBondContact O-N 3.06Å; L239-M242 PolarHBondContact O-N 2.97Å; M242-A244 VanDerWaalsContact C-N 3.33Å; M242-A244 PolarHBondContact O-N 3.41Å; M242-F245 PolarHBondContact O-N 2.86Å; M242-F245 VanDerWaalsContact O-N 3.15Å; M242-G246 PolarHBondContact O-N 3.42Å; M242-M247 HydrophobicContact CB-CB 4.07Å; M242-M247 HydrophobicContact CB-SD 4.1Å; M242-M247 HydrophobicContact CG-SD 3.94Å; M242-M247 VanDerWaalsContact O-CB 3.28Å; M242-M247 WeakPolarHBondContact O-CB 3.27Å; M242-M247 PolarHBondContact O-N 3.08Å; M242-P249 HydrophobicContact CB-CG 3.8Å; M242-P249 HydrophobicContact SD-CB 4.17Å; M242-P249 HydrophobicContact SD-CG 4.06Å |
| 243 | R | 98.9 | Very high | 98.7 | Very high | 56 Ų | 56 | 27 Ų | 27 | 21% | 0.211 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -38 | 178.1 | -70.9 | 169.1 | 177 | 155 | -0.1 | 112.2 | A34 L239 F245 G246 P249 F312 D315 | A34-R243 WeakPolarHBondContact CB-O 3.21Å; L239-R243 VanDerWaalsContact O-CB 3.32Å; L239-R243 WeakPolarHBondContact O-CB 3.41Å; L239-R243 WeakPolarHBondContact O-CD 3.36Å; L239-R243 VanDerWaalsContact O-CG 3.27Å; L239-R243 WeakPolarHBondContact O-CG 3.34Å; L239-R243 PolarHBondContact O-N 3.44Å; R243-F245 PolarHBondContact O-N 3.03Å; R243-G246 WeakPolarHBondContact O-CA 3.31Å; R243-G246 PolarHBondContact O-N 3.18Å; R243-P249 HydrophobicContact CG-CG 4.16Å; R243-F312 VanDerWaalsContact CZ-O 3.25Å; R243-F312 PolarHBondContact NH1-O 2.88Å; R243-F312 PolarHBondContact NH2-O 3.32Å; R243-D315 IonicContact CZ-OD2 3.3Å; R243-D315 IonicContact NE-OD1 2.73Å; R243-D315 IonicContact NE-OD2 3.57Å; R243-D315 PolarHBondContact NE-OD2 3.05Å; R243-D315 IonicContact NH2-OD2 3.51Å; R243-D315 PolarHBondContact NH2-OD2 2.89Å |
| 244 | A | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 20.3 Ų | 20.3 | 11% | 0.107 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.8 | -32.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q39 A42 E240 R241 M242 G246 | Q39-A244 WeakPolarHBondContact CA-O 3.29Å; Q39-A244 WeakPolarHBondContact CG-O 3.44Å; A42-A244 HydrophobicContact CB-CB 4.02Å; A42-A244 WeakPolarHBondContact CB-O 3.08Å; E240-A244 WeakPolarHBondContact O-CB 3.19Å; E240-A244 PolarHBondContact O-N 2.88Å; R241-A244 PolarHBondContact O-N 3.31Å; M242-A244 VanDerWaalsContact C-N 3.33Å; M242-A244 PolarHBondContact O-N 3.41Å; A244-G246 VanDerWaalsContact C-N 3.27Å |
| 245 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -78 | -10.1 | 171.2 | -75.7 | -63.2 | 0 | 0 | 0 | 114.2 | A42 V43 L46 G91 V92 I163 D164 A167 R241 M242 R243 M247 | A42-F245 HydrophobicContact CB-CD1 3.77Å; A42-F245 HydrophobicContact CB-CE1 3.87Å; A42-F245 HydrophobicContact CB-CG 4.28Å; A42-F245 HydrophobicContact CB-CZ 4.48Å; V43-F245 HydrophobicContact CG2-CD1 4.16Å; V43-F245 HydrophobicContact CG2-CE1 4.28Å; L46-F245 HydrophobicContact CB-CE1 4.01Å; L46-F245 HydrophobicContact CB-CZ 3.95Å; L46-F245 HydrophobicContact CD1-CE1 3.79Å; L46-F245 HydrophobicContact CD1-CZ 3.73Å; L46-F245 HydrophobicContact CG-CZ 4.44Å; G91-F245 CarbonylContact C-O 3.53Å; G91-F245 VanDerWaalsContact CA-O 3.24Å; G91-F245 WeakPolarHBondContact CA-O 3.1Å; G91-F245 PolarHBondContact N-O 2.96Å; V92-F245 HydrophobicContact CG1-CB 4.15Å; V92-F245 PolarHBondContact N-O 3.34Å; I163-F245 HydrophobicContact CG2-CD2 3.74Å; I163-F245 HydrophobicContact CG2-CE2 3.85Å; D164-F245 WeakPolarHBondContact OD1-CZ 3.36Å; A167-F245 HydrophobicContact CB-CD1 4.08Å; A167-F245 HydrophobicContact CB-CD2 4.36Å; A167-F245 HydrophobicContact CB-CE1 4.22Å; A167-F245 HydrophobicContact CB-CE2 4.46Å; A167-F245 HydrophobicContact CB-CG 4.16Å; A167-F245 HydrophobicContact CB-CZ 4.42Å; R241-F245 HydrophobicContact CG-CD2 4.1Å; R241-F245 HydrophobicContact CG-CE2 3.8Å; R241-F245 VanDerWaalsContact O-CD2 3.25Å; R241-F245 WeakPolarHBondContact O-CD2 3.29Å; R241-F245 PolarHBondContact O-N 3.44Å; M242-F245 PolarHBondContact O-N 2.86Å; M242-F245 VanDerWaalsContact O-N 3.15Å; R243-F245 PolarHBondContact O-N 3.03Å; F245-M247 HydrophobicContact CB-CE 4.23Å; F245-M247 HydrophobicContact CB-CG 4.27Å; F245-M247 HydrophobicContact CD2-CE 4.35Å |
| 246 | G | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 19.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P32 M242 R243 A244 | P32-G246 WeakPolarHBondContact CG-O 3.23Å; M242-G246 PolarHBondContact O-N 3.42Å; R243-G246 WeakPolarHBondContact O-CA 3.31Å; R243-G246 PolarHBondContact O-N 3.18Å; A244-G246 VanDerWaalsContact C-N 3.27Å |
| 247 | M | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | trans | -71.7 | 160 | 167.4 | -56.9 | 172.9 | -179.3 | 0 | 0 | 110.3 | V92 I163 M166 A167 N172 P174 M242 F245 P249 | V92-M247 HydrophobicContact CG1-CE 3.93Å; V92-M247 HydrophobicContact CG1-CG 3.65Å; I163-M247 HydrophobicContact CG2-CE 4.01Å; I163-M247 HydrophobicContact CG2-SD 4.06Å; M166-M247 HydrophobicContact CB-CE 3.64Å; M166-M247 HydrophobicContact CB-SD 4.48Å; M166-M247 HydrophobicContact SD-SD 4.49Å; A167-M247 HydrophobicContact CB-CE 3.8Å; N172-M247 CarbonylContact O-C 3.38Å; N172-M247 WeakPolarHBondContact O-CA 3.23Å; P174-M247 HydrophobicContact CG-CB 4.09Å; P174-M247 HydrophobicContact CG-SD 4.04Å; M242-M247 HydrophobicContact CB-CB 4.07Å; M242-M247 HydrophobicContact CB-SD 4.1Å; M242-M247 HydrophobicContact CG-SD 3.94Å; M242-M247 VanDerWaalsContact O-CB 3.28Å; M242-M247 WeakPolarHBondContact O-CB 3.27Å; M242-M247 PolarHBondContact O-N 3.08Å; F245-M247 HydrophobicContact CB-CE 4.23Å; F245-M247 HydrophobicContact CB-CG 4.27Å; F245-M247 HydrophobicContact CD2-CE 4.35Å; M247-P249 WeakPolarHBondContact O-CD 3.34Å | ||
| 248 | I | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 14.3 Ų | 14.3 | 4% | 0.036 | 7% | 0.068 | C | C | . | . | trans | -114.3 | 91 | 177.2 | -63 | 148 | 0 | 0 | 0 | 106.7 | I30 F138 N172 L173 V250 D315 I317 | I30-I248 HydrophobicContact CG2-CD1 3.57Å; I30-I248 HydrophobicContact CG2-CG1 4.3Å; I30-I248 HydrophobicContact CG2-CG2 4.09Å; F138-I248 HydrophobicContact CE1-CD1 4.29Å; N172-I248 PolarHBondContact O-N 3.41Å; L173-I248 HydrophobicContact CD1-CB 4.1Å; L173-I248 HydrophobicContact CD1-CG2 3.9Å; I248-V250 PolarHBondContact O-N 2.04Å; I248-D315 HydrophobicContact CG2-CB 3.88Å; I248-I317 HydrophobicContact CG2-CD1 3.97Å; I248-I317 HydrophobicContact CG2-CG1 4.23Å | ||
| 249 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 134 | 178.3 | -21.2 | 32.3 | 0 | 0 | 0 | 111.7 | P174 A176 L239 M242 R243 M247 | P174-P249 WeakPolarHBondContact O-CA 3.41Å; A176-P249 HydrophobicContact CB-CB 3.87Å; L239-P249 HydrophobicContact CD2-CB 3.47Å; L239-P249 VanDerWaalsContact CD2-CB 3.47Å; L239-P249 HydrophobicContact CD2-CG 3.76Å; M242-P249 HydrophobicContact CB-CG 3.8Å; M242-P249 HydrophobicContact SD-CB 4.17Å; M242-P249 HydrophobicContact SD-CG 4.06Å; R243-P249 HydrophobicContact CG-CG 4.16Å; M247-P249 WeakPolarHBondContact O-CD 3.34Å |
| 250 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -89.1 | 119.2 | 173.3 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | L173 P174 L175 A176 I248 I317 N319 L357 | L173-V250 HydrophobicContact CD1-CG2 3.74Å; L173-V250 HydrophobicContact CG-CG2 3.89Å; P174-V250 PolarHBondContact O-N 2.76Å; L175-V250 HydrophobicContact CD1-CB 4.02Å; L175-V250 HydrophobicContact CD1-CG1 3.99Å; A176-V250 PolarHBondContact N-O 2.87Å; I248-V250 PolarHBondContact O-N 2.04Å; V250-I317 HydrophobicContact CG1-CG2 4.05Å; V250-I317 HydrophobicContact CG2-CB 4.38Å; V250-I317 HydrophobicContact CG2-CG2 3.95Å; V250-N319 HydrophobicContact CG1-CB 3.59Å; V250-L357 HydrophobicContact CB-CD2 4.38Å; V250-L357 HydrophobicContact CG1-CB 4.31Å; V250-L357 HydrophobicContact CG1-CD2 3.9Å; V250-L357 HydrophobicContact CG2-CD2 3.82Å |
| 251 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 156.4 | -177.6 | -68.8 | 176.9 | 0 | 0 | 0 | 111.7 | L239 V308 F312 G313 I317 Y318 N319 | L239-L251 HydrophobicContact CD1-CD2 4.32Å; L239-L251 HydrophobicContact CD2-CD2 4Å; L251-V308 HydrophobicContact CB-CG1 4.09Å; L251-V308 HydrophobicContact CD1-CG1 3.94Å; L251-V308 HydrophobicContact CG-CG1 4.47Å; L251-F312 HydrophobicContact CD1-CB 4.41Å; L251-F312 HydrophobicContact CD2-CD2 4.44Å; L251-G313 WeakPolarHBondContact CD1-O 3.43Å; L251-I317 PolarHBondContact N-O 2.62Å; L251-I317 VanDerWaalsContact N-O 3.14Å; L251-Y318 HydrophobicContact CB-CD1 3.97Å; L251-Y318 HydrophobicContact CB-CE1 4.33Å; L251-Y318 CarbonylContact O-C 3.58Å; L251-Y318 WeakPolarHBondContact O-CA 3.41Å; L251-N319 PolarHBondContact O-N 2.83Å |
| 252 | P | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.019 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 156.7 | 179 | 30.5 | -36.3 | 0 | 0 | 0 | 112.4 | F177 Q180 Y304 N319 | F177-P252 HydrophobicContact CD1-CB 4.15Å; F177-P252 HydrophobicContact CD1-CG 4.5Å; F177-P252 HydrophobicContact CE1-CB 3.79Å; F177-P252 HydrophobicContact CZ-CB 4.13Å; Q180-P252 HydrophobicContact CB-CG 3.91Å; P252-Y304 HydrophobicContact CB-CE1 4.37Å; P252-Y304 HydrophobicContact CG-CE1 4.43Å; P252-Y304 VanDerWaalsContact CG-OH 3.23Å; P252-Y304 WeakPolarHBondContact CG-OH 3.24Å; P252-N319 CarbonylContact C-O 3.54Å; P252-N319 WeakPolarHBondContact CA-O 3.41Å |
| 253 | A | 98.2 | Very high | 97.7 | Very high | 8 Ų | 8 | 14.8 Ų | 14.8 | 7% | 0.066 | 7% | 0.074 | C | C | . | . | trans | -137.4 | 172.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.5 | N319 T320 M347 | A253-N319 PolarHBondContact N-O 3.18Å; A253-T320 HydrophobicContact CB-CG2 4.18Å; A253-T320 VanDerWaalsContact O-CB 3.26Å; A253-T320 WeakPolarHBondContact O-CB 3.42Å; A253-T320 PolarHBondContact O-OG1 2.84Å; A253-M347 HydrophobicContact CB-CE 3.46Å; A253-M347 VanDerWaalsContact CB-CE 3.46Å; A253-M347 HydrophobicContact CB-CG 4.22Å | ||
| 254 | F | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | trans | -78 | 129.1 | -178.6 | 179.1 | -124.7 | 0 | 0 | 0 | 112.5 | W184 N257 V258 F297 I300 | W184-F254 HydrophobicContact CH2-CB 3.97Å; W184-F254 AromaticContact CH2-CD2 3.32Å; W184-F254 HydrophobicContact CH2-CD2 3.32Å; W184-F254 HydrophobicContact CH2-CE2 4.07Å; W184-F254 AromaticContact CH2-CG 3.96Å; W184-F254 HydrophobicContact CH2-CG 3.96Å; W184-F254 HydrophobicContact CZ2-CB 4.27Å; W184-F254 AromaticContact CZ2-CD2 3.84Å; W184-F254 HydrophobicContact CZ2-CD2 3.84Å; W184-F254 HydrophobicContact CZ3-CD2 4.29Å; F254-N257 WeakPolarHBondContact CE2-O 3.39Å; F254-V258 HydrophobicContact CE2-CG1 4.07Å; F254-V258 HydrophobicContact CZ-CG1 3.83Å; F254-F297 HydrophobicContact CD1-CD1 4.2Å; F254-F297 AromaticContact CD1-CE1 3.93Å; F254-F297 HydrophobicContact CD1-CE1 3.93Å; F254-F297 HydrophobicContact CD1-CZ 4.21Å; F254-F297 HydrophobicContact CE1-CD1 4.04Å; F254-F297 HydrophobicContact CE1-CD2 4.15Å; F254-F297 HydrophobicContact CE1-CE1 4.04Å; F254-F297 HydrophobicContact CE1-CE2 4.2Å; F254-F297 HydrophobicContact CE1-CG 4.07Å; F254-F297 HydrophobicContact CE1-CZ 4.12Å; F254-I300 HydrophobicContact CD1-CG2 4.46Å; F254-I300 HydrophobicContact CD2-CG2 4.21Å; F254-I300 HydrophobicContact CE1-CB 4.21Å; F254-I300 HydrophobicContact CE1-CG2 4.14Å; F254-I300 HydrophobicContact CE2-CG2 3.83Å; F254-I300 HydrophobicContact CG-CG2 4.48Å; F254-I300 HydrophobicContact CZ-CB 4.19Å; F254-I300 HydrophobicContact CZ-CG2 3.78Å | ||
| 255 | S | 93.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 20 Ų | 20 | 6% | 0.063 | 9% | 0.094 | C | C | . | . | trans | -96.7 | -9.5 | -179.9 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | T320 T322 | S255-T320 WeakPolarHBondContact CA-OG1 3.34Å; S255-T320 WeakPolarHBondContact CB-OG1 3.45Å; S255-T320 PolarHBondContact N-OG1 3.49Å; S255-T322 WeakPolarHBondContact O-CB 3.32Å; S255-T322 WeakPolarHBondContact O-CG2 3.32Å; S255-T322 PolarHBondContact O-OG1 3.27Å | ||
| 256 | G | 95.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 102.1 | -11.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L290 | G256-L290 WeakPolarHBondContact O-CB 3.21Å; G256-L290 PolarHBondContact O-N 2.96Å |
| 257 | N | 96.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.053 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126.1 | 176.4 | -180 | 35.1 | 0 | 0 | 0 | 112 | A214 F254 Y288 I289 | A214-N257 HydrophobicContact CB-CB 3.42Å; A214-N257 VanDerWaalsContact CB-CB 3.42Å; A214-N257 VanDerWaalsContact CB-ND2 3.27Å; A214-N257 WeakPolarHBondContact CB-ND2 3.28Å; F254-N257 WeakPolarHBondContact CE2-O 3.39Å; N257-Y288 PolarHBondContact OD1-O 3.13Å; N257-I289 HydrophobicContact CB-CD1 3.91Å |
| 258 | V | 97.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.6 | -176.6 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | F254 I262 V271 Y288 L290 I300 | F254-V258 HydrophobicContact CE2-CG1 4.07Å; F254-V258 HydrophobicContact CZ-CG1 3.83Å; V258-I262 HydrophobicContact CB-CB 4.33Å; V258-I262 HydrophobicContact CB-CG1 4.01Å; V258-I262 HydrophobicContact CG1-CG1 4.47Å; V258-I262 HydrophobicContact CG2-CB 4.44Å; V258-I262 HydrophobicContact CG2-CG2 4.45Å; V258-V271 HydrophobicContact CG2-CG1 4.36Å; V258-Y288 WeakPolarHBondContact CG2-O 3.35Å; V258-Y288 PolarHBondContact N-O 3.05Å; V258-Y288 WeakPolarHBondContact O-CB 3.36Å; V258-L290 HydrophobicContact CG1-CB 4.26Å; V258-L290 HydrophobicContact CG1-CD2 4.37Å; V258-L290 HydrophobicContact CG2-CB 4.39Å; V258-I300 HydrophobicContact CG1-CD1 4.02Å |
| 259 | P | 97.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | trans | -67.2 | 149.1 | 172.1 | 24 | -31 | 0 | 0 | 0 | 111.5 | Y188 L193 F201 G261 I262 | Y188-P259 HydrophobicContact CD1-CG 3.95Å; Y188-P259 HydrophobicContact CD2-CG 4.26Å; Y188-P259 VanDerWaalsContact CE1-CD 3.5Å; Y188-P259 HydrophobicContact CE1-CG 3.8Å; Y188-P259 HydrophobicContact CE2-CG 4.11Å; Y188-P259 HydrophobicContact CG-CG 4.21Å; Y188-P259 WeakPolarHBondContact OH-CD 3.39Å; L193-P259 HydrophobicContact CD2-CB 3.72Å; L193-P259 HydrophobicContact CD2-CG 3.32Å; F201-P259 HydrophobicContact CB-CB 3.91Å; F201-P259 HydrophobicContact CD2-CB 3.61Å; F201-P259 HydrophobicContact CD2-CG 4.4Å; F201-P259 HydrophobicContact CE2-CB 4.25Å; F201-P259 HydrophobicContact CG-CB 3.78Å; F201-P259 HydrophobicContact CG-CG 4.47Å; P259-G261 PolarHBondContact O-N 3.4Å; P259-I262 HydrophobicContact CG-CG1 4.03Å; P259-I262 WeakPolarHBondContact O-CB 3.12Å; P259-I262 PolarHBondContact O-N 3.11Å | ||
| 260 | K | 95.9 | Very high | 97.2 | Very high | 125 Ų | 125 | 42.1 Ų | 42.1 | 54% | 0.543 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -32.6 | 177.1 | -175.8 | -176.3 | 174.4 | -168.6 | 0 | 113.1 | I262 L263 Y288 | K260-I262 PolarHBondContact O-N 2.69Å; K260-I262 VanDerWaalsContact O-N 3.13Å; K260-L263 WeakPolarHBondContact O-CB 3.47Å; K260-L263 PolarHBondContact O-N 3.38Å; K260-Y288 HydrophobicContact CB-CD2 4.2Å; K260-Y288 HydrophobicContact CB-CE2 3.82Å; K260-Y288 HydrophobicContact CD-CE2 4.39Å; K260-Y288 HydrophobicContact CG-CE2 4.03Å |
| 261 | G | 96.9 | Very high | 97.2 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E197 P259 L263 R264 L265 | E197-G261 WeakPolarHBondContact OE1-CA 3.3Å; P259-G261 PolarHBondContact O-N 3.4Å; G261-L263 PolarHBondContact O-N 2.84Å; G261-R264 WeakPolarHBondContact O-CB 3.49Å; G261-R264 PolarHBondContact O-N 3.17Å; G261-R264 VanDerWaalsContact O-N 3.08Å; G261-L265 PolarHBondContact O-N 2.93Å |
| 262 | I | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -33.5 | 173.6 | -70.8 | -64.5 | 0 | 0 | 0 | 111.8 | L191 L193 V258 P259 K260 R264 L265 Y266 L296 I300 | L191-I262 HydrophobicContact CD1-CD1 4.25Å; L193-I262 HydrophobicContact CD1-CD1 3.85Å; L193-I262 HydrophobicContact CD1-CG1 4.44Å; V258-I262 HydrophobicContact CB-CB 4.33Å; V258-I262 HydrophobicContact CB-CG1 4.01Å; V258-I262 HydrophobicContact CG1-CG1 4.47Å; V258-I262 HydrophobicContact CG2-CB 4.44Å; V258-I262 HydrophobicContact CG2-CG2 4.45Å; P259-I262 HydrophobicContact CG-CG1 4.03Å; P259-I262 WeakPolarHBondContact O-CB 3.12Å; P259-I262 PolarHBondContact O-N 3.11Å; K260-I262 PolarHBondContact O-N 2.69Å; K260-I262 VanDerWaalsContact O-N 3.13Å; I262-R264 PolarHBondContact O-N 3.35Å; I262-L265 PolarHBondContact O-N 3.4Å; I262-Y266 HydrophobicContact CD1-CD2 4.34Å; I262-Y266 HydrophobicContact CD1-CE2 4.38Å; I262-Y266 HydrophobicContact CG2-CD2 4.19Å; I262-Y266 PolarHBondContact O-N 3.01Å; I262-L296 HydrophobicContact CG2-CD2 3.75Å; I262-I300 HydrophobicContact CD1-CD1 4.12Å |
| 263 | L | 97 | Very high | 97 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 33% | 0.33 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.3 | -25.8 | 177.3 | -59.9 | 179.1 | 0 | 0 | 0 | 112.9 | K260 G261 P267 V271 Y288 | K260-L263 WeakPolarHBondContact O-CB 3.47Å; K260-L263 PolarHBondContact O-N 3.38Å; G261-L263 PolarHBondContact O-N 2.84Å; L263-P267 VanDerWaalsContact O-CA 3.31Å; L263-P267 WeakPolarHBondContact O-CA 3.01Å; L263-V271 HydrophobicContact CD2-CB 3.76Å; L263-V271 HydrophobicContact CD2-CG1 4.17Å; L263-V271 HydrophobicContact CD2-CG2 3.72Å; L263-Y288 HydrophobicContact CD1-CD1 3.84Å; L263-Y288 HydrophobicContact CD1-CE1 3.68Å |
| 264 | R | 97.4 | Very high | 96.8 | Very high | 129 Ų | 129 | 51.8 Ų | 51.8 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -74.3 | -42 | 174 | 178.1 | -177.2 | 60.1 | 75.6 | -0.6 | 111.1 | G192 E197 G261 I262 | G192-R264 PolarHBondContact O-NH2 3.48Å; E197-R264 IonicContact OE1-CZ 3.65Å; E197-R264 IonicContact OE1-NE 3.71Å; E197-R264 PolarHBondContact OE1-NE 3.01Å; E197-R264 IonicContact OE1-NH2 2.86Å; E197-R264 PolarHBondContact OE1-NH2 2.84Å; E197-R264 IonicContact OE2-CZ 2.8Å; E197-R264 IonicContact OE2-NE 2.65Å; E197-R264 IonicContact OE2-NH2 2.83Å; E197-R264 PolarHBondContact OE2-NH2 3.1Å; G261-R264 WeakPolarHBondContact O-CB 3.49Å; G261-R264 PolarHBondContact O-N 3.17Å; G261-R264 VanDerWaalsContact O-N 3.08Å; I262-R264 PolarHBondContact O-N 3.35Å |
| 265 | L | 97.7 | Very high | 96.7 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -77.5 | -36.5 | -177.3 | -64.9 | 168.8 | 0 | 0 | 0 | 112.2 | L191 L193 G261 I262 P267 | L191-L265 WeakPolarHBondContact O-CD1 3.35Å; L193-L265 HydrophobicContact CD1-CD1 3.41Å; L193-L265 VanDerWaalsContact CD1-CD1 3.41Å; L193-L265 HydrophobicContact CG-CD1 4.17Å; G261-L265 PolarHBondContact O-N 2.93Å; I262-L265 PolarHBondContact O-N 3.4Å; L265-P267 WeakPolarHBondContact O-CD 3.33Å |
| 266 | Y | 97.7 | Very high | 96.8 | Very high | 68 Ų | 68 | 58 Ų | 58 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | trans | -127.6 | 71.9 | -176.5 | -58.3 | -86.1 | 0 | 0 | 0 | 110.1 | I262 K268 A269 L296 | I262-Y266 HydrophobicContact CD1-CD2 4.34Å; I262-Y266 HydrophobicContact CD1-CE2 4.38Å; I262-Y266 HydrophobicContact CG2-CD2 4.19Å; I262-Y266 PolarHBondContact O-N 3.01Å; Y266-K268 PolarHBondContact O-N 2.86Å; Y266-A269 VanDerWaalsContact O-CB 3.25Å; Y266-A269 WeakPolarHBondContact O-CB 3.24Å; Y266-A269 PolarHBondContact O-N 3.27Å; Y266-L296 HydrophobicContact CD1-CD1 4.11Å; Y266-L296 HydrophobicContact CD1-CD2 4.31Å; Y266-L296 HydrophobicContact CD2-CD1 4.22Å; Y266-L296 HydrophobicContact CD2-CD2 3.87Å; Y266-L296 HydrophobicContact CE1-CD1 3.96Å; Y266-L296 HydrophobicContact CE2-CD1 4.08Å; Y266-L296 HydrophobicContact CG-CD1 4.24Å; Y266-L296 HydrophobicContact CG-CD2 3.76Å | ||
| 267 | P | 96.7 | Very high | 96.8 | Very high | 109 Ų | 109 | 59 Ų | 59 | 71% | 0.708 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -9.9 | -173.7 | 27.3 | -36.6 | 0 | 0 | 0 | 114.6 | L263 L265 | L263-P267 VanDerWaalsContact O-CA 3.31Å; L263-P267 WeakPolarHBondContact O-CA 3.01Å; L265-P267 WeakPolarHBondContact O-CD 3.33Å |
| 268 | K | 96.8 | Very high | 96.6 | Very high | 202 Ų | 202 | 60 Ų | 60 | 88% | 0.878 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -4.1 | 174.8 | -63.4 | -175.7 | -179.8 | 180 | 0 | 113.3 | Y266 N270 | Y266-K268 PolarHBondContact O-N 2.86Å; K268-N270 PolarHBondContact O-N 2.91Å |
| 269 | A | 97.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 67.8 Ų | 67.8 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | trans | -63.6 | 133.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110 | Y266 V271 L290 D294 L296 | Y266-A269 VanDerWaalsContact O-CB 3.25Å; Y266-A269 WeakPolarHBondContact O-CB 3.24Å; Y266-A269 PolarHBondContact O-N 3.27Å; A269-V271 HydrophobicContact CB-CG2 4.06Å; A269-V271 PolarHBondContact O-N 2.97Å; A269-L290 HydrophobicContact CB-CD1 4.15Å; A269-D294 WeakPolarHBondContact CA-OD2 3.07Å; A269-L296 HydrophobicContact CB-CD2 3.93Å | ||
| 270 | N | 97.3 | Very high | 96.5 | Very high | 78 Ų | 78 | 67.8 Ų | 67.8 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | trans | -80.8 | 101.9 | 175.5 | -176.3 | 16.6 | 0 | 0 | 0 | 109.4 | K268 D291 D294 | K268-N270 PolarHBondContact O-N 2.91Å; N270-D291 HydrophobicContact CB-CB 3.96Å; N270-D291 VanDerWaalsContact ND2-CB 3.34Å; N270-D291 WeakPolarHBondContact ND2-CB 3.17Å; N270-D291 VanDerWaalsContact ND2-CG 3.33Å; N270-D291 PolarHBondContact ND2-OD2 2.9Å; N270-D291 VanDerWaalsContact ND2-OD2 3.1Å; N270-D291 VanDerWaalsContact O-CB 3.29Å; N270-D291 WeakPolarHBondContact O-CB 3.27Å; N270-D291 PolarHBondContact O-N 3.43Å; N270-D294 PolarHBondContact N-OD2 3.47Å | ||
| 271 | V | 97.3 | Very high | 96.5 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.5 | -175.7 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | V258 L263 A269 Y288 I289 L290 | V258-V271 HydrophobicContact CG2-CG1 4.36Å; L263-V271 HydrophobicContact CD2-CB 3.76Å; L263-V271 HydrophobicContact CD2-CG1 4.17Å; L263-V271 HydrophobicContact CD2-CG2 3.72Å; A269-V271 HydrophobicContact CB-CG2 4.06Å; A269-V271 PolarHBondContact O-N 2.97Å; V271-Y288 HydrophobicContact CG1-CD1 3.97Å; V271-Y288 HydrophobicContact CG1-CG 4.32Å; V271-I289 WeakPolarHBondContact CA-O 3Å; V271-L290 HydrophobicContact CG2-CD1 3.63Å |
| 272 | T | 96.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 68 Ų | 68 | 28% | 0.282 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.9 | 173.8 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | L274 I289 P329 | T272-L274 HydrophobicContact CG2-CD2 4.4Å; T272-I289 PolarHBondContact N-O 2.96Å; T272-I289 PolarHBondContact O-N 2.91Å; T272-P329 HydrophobicContact CG2-CB 3.94Å; T272-P329 HydrophobicContact CG2-CG 4.49Å |
| 273 | R | 96.4 | Very high | 96.3 | Very high | 122 Ų | 122 | 71.2 Ų | 71.2 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.4 | 168.1 | -166.7 | -175.4 | -172.8 | -179 | 6.8 | 109 | C282 C286 Y288 | R273-C282 VanDerWaalsContact NH2-CB 3.26Å; R273-C282 PolarHBondContact NH2-O 2.91Å; R273-C286 HydrophobicContact CG-CB 4.22Å; R273-C286 WeakPolarHBondContact CG-O 3.41Å; R273-C286 PolarHBondContact NE-O 3.47Å; R273-Y288 HydrophobicContact CB-CD1 4.16Å; R273-Y288 HydrophobicContact CB-CE1 4.09Å; R273-Y288 HydrophobicContact CG-CD1 4.25Å; R273-Y288 HydrophobicContact CG-CE1 3.98Å; R273-Y288 HydrophobicContact CG-CE2 4.49Å |
| 274 | L | 95.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 70.2 Ų | 70.2 | 9% | 0.094 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 170.4 | -180 | -62.6 | -173 | 0 | 0 | 0 | 112.4 | T272 C286 S287 I289 M326 | T272-L274 HydrophobicContact CG2-CD2 4.4Å; L274-C286 WeakPolarHBondContact O-CA 3.48Å; L274-C286 WeakPolarHBondContact O-CB 3.49Å; L274-S287 PolarHBondContact N-O 2.89Å; L274-I289 HydrophobicContact CD1-CD1 4.26Å; L274-I289 HydrophobicContact CD1-CG1 3.5Å; L274-I289 HydrophobicContact CD2-CG1 4.31Å; L274-I289 HydrophobicContact CG-CG1 3.71Å; L274-M326 HydrophobicContact CD1-CB 4.1Å; L274-M326 HydrophobicContact CD1-CE 4.31Å; L274-M326 HydrophobicContact CD1-CG 4.41Å; L274-M326 HydrophobicContact CD1-SD 3.63Å |
| 275 | G | 94.6 | Very high | 96.2 | Very high | 51 Ų | 51 | 64.2 Ų | 64.2 | 53% | 0.526 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 168.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 276 | P | 95.4 | Very high | 96.2 | Very high | 90 Ų | 90 | 62 Ų | 62 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 145.3 | 176.2 | 26.8 | -33.9 | 0 | 0 | 0 | 111.8 | F280 C286 | P276-F280 WeakPolarHBondContact CB-O 3.41Å; P276-C286 VanDerWaalsContact CA-SG 3.55Å; P276-C286 VanDerWaalsContact N-SG 3.41Å |
| 277 | W | 96.9 | Very high | 96 | Very high | 20 Ų | 20 | 58.8 Ų | 58.8 | 8% | 0.076 | 33% | 0.328 | C | S | . | . | trans | -107.4 | 141.3 | 173.1 | 174.7 | 87.6 | 0 | 0 | 0 | 111.3 | W210 N215 H279 F280 S285 E325 W657 I663 | W210-W277 AromaticContact CD1-CH2 3.67Å; W210-W277 AromaticContact CD1-CZ2 3.84Å; W210-W277 HydrophobicContact CG-CH2 4.19Å; N215-W277 HydrophobicContact CB-CB 4.37Å; N215-W277 HydrophobicContact CB-CD2 3.66Å; N215-W277 HydrophobicContact CB-CE3 3.92Å; N215-W277 HydrophobicContact CB-CG 3.85Å; N215-W277 HydrophobicContact CB-CZ3 4.46Å; W277-H279 VanDerWaalsContact C-N 3.31Å; W277-H279 PolarHBondContact O-N 3.25Å; W277-H279 VanDerWaalsContact O-N 3.07Å; W277-F280 HydrophobicContact CE3-CD2 4.06Å; W277-F280 HydrophobicContact CE3-CE2 4.46Å; W277-F280 HydrophobicContact CZ3-CD2 4.11Å; W277-F280 HydrophobicContact CZ3-CE2 4.05Å; W277-F280 WeakPolarHBondContact O-CB 3.18Å; W277-F280 PolarHBondContact O-N 3.18Å; W277-S285 PolarHBondContact N-OG 3.02Å; W277-S285 VanDerWaalsContact N-OG 3.11Å; W277-E325 PolarHBondContact NE1-OE2 3.1Å; W277-W657 AromaticContact CH2-CH2 3.16Å; W277-W657 HydrophobicContact CH2-CH2 3.16Å; W277-W657 AromaticContact CH2-CZ2 3.84Å; W277-W657 HydrophobicContact CH2-CZ2 3.84Å; W277-W657 AromaticContact CH2-CZ3 3.67Å; W277-W657 HydrophobicContact CH2-CZ3 3.67Å; W277-W657 HydrophobicContact CZ2-CH2 4.47Å; W277-W657 HydrophobicContact CZ3-CE3 4.49Å; W277-W657 AromaticContact CZ3-CH2 3.26Å; W277-W657 HydrophobicContact CZ3-CH2 3.26Å; W277-W657 HydrophobicContact CZ3-CZ2 4.34Å; W277-W657 AromaticContact CZ3-CZ3 3.36Å; W277-W657 HydrophobicContact CZ3-CZ3 3.36Å; W277-I663 HydrophobicContact CH2-CD1 3.23Å; W277-I663 HydrophobicContact CZ2-CD1 4.03Å; W277-I663 HydrophobicContact CZ3-CD1 3.6Å | ||
| 278 | A | 92 | Very high | 96 | Very high | 30 Ų | 30 | 55 Ų | 55 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 38.4 | 50.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | F280 I663 | A278-F280 PolarHBondContact O-N 3.13Å; A278-I663 HydrophobicContact CB-CD1 3.42Å; A278-I663 VanDerWaalsContact CB-CD1 3.42Å; A278-I663 HydrophobicContact CB-CG1 3.88Å |
| 279 | H | 95.4 | Very high | 96 | Very high | 168 Ų | 168 | 45.6 Ų | 45.6 | 78% | 0.778 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | -1.4 | 178.7 | -45.5 | -70.9 | 0 | 0 | 0 | 116.5 | W277 E662 | W277-H279 VanDerWaalsContact C-N 3.31Å; W277-H279 PolarHBondContact O-N 3.25Å; W277-H279 VanDerWaalsContact O-N 3.07Å; H279-E662 HydrophobicContact CB-CB 4.48Å; H279-E662 PolarHBondContact CD2-O 2.94Å |
| 280 | F | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | trans | -65.8 | 137.6 | 170.3 | -75.1 | -95.1 | 0 | 0 | 0 | 110.5 | M216 F219 P276 W277 A278 F284 W657 E662 I663 | M216-F280 HydrophobicContact CE-CE1 4.29Å; M216-F280 HydrophobicContact CE-CZ 4.38Å; F219-F280 HydrophobicContact CG-CE1 4.5Å; P276-F280 WeakPolarHBondContact CB-O 3.41Å; W277-F280 HydrophobicContact CE3-CD2 4.06Å; W277-F280 HydrophobicContact CE3-CE2 4.46Å; W277-F280 HydrophobicContact CZ3-CD2 4.11Å; W277-F280 HydrophobicContact CZ3-CE2 4.05Å; W277-F280 WeakPolarHBondContact O-CB 3.18Å; W277-F280 PolarHBondContact O-N 3.18Å; A278-F280 PolarHBondContact O-N 3.13Å; F280-F284 HydrophobicContact CD1-CB 3.77Å; F280-F284 HydrophobicContact CD1-CD2 4.34Å; F280-F284 HydrophobicContact CD1-CG 4.44Å; F280-F284 HydrophobicContact CE1-CB 4.49Å; F280-W657 HydrophobicContact CD2-CZ3 4.39Å; F280-W657 AromaticContact CE2-CE3 3.54Å; F280-W657 HydrophobicContact CE2-CE3 3.54Å; F280-W657 AromaticContact CE2-CZ3 3.29Å; F280-W657 HydrophobicContact CE2-CZ3 3.29Å; F280-W657 AromaticContact CZ-CE3 3.58Å; F280-W657 HydrophobicContact CZ-CE3 3.58Å; F280-W657 AromaticContact CZ-CZ3 3.49Å; F280-W657 HydrophobicContact CZ-CZ3 3.49Å; F280-W657 VanDerWaalsContact CZ-CZ3 3.49Å; F280-E662 HydrophobicContact CD1-CG 4.09Å; F280-E662 HydrophobicContact CD2-CB 3.83Å; F280-E662 HydrophobicContact CD2-CG 3.98Å; F280-E662 HydrophobicContact CE1-CB 4.35Å; F280-E662 HydrophobicContact CE1-CG 4.11Å; F280-E662 HydrophobicContact CE2-CB 3.43Å; F280-E662 VanDerWaalsContact CE2-CB 3.43Å; F280-E662 HydrophobicContact CE2-CG 3.93Å; F280-E662 HydrophobicContact CG-CB 4.4Å; F280-E662 HydrophobicContact CG-CG 4.05Å; F280-E662 HydrophobicContact CZ-CB 3.75Å; F280-E662 HydrophobicContact CZ-CG 4.03Å; F280-I663 HydrophobicContact CE2-CD1 4.32Å; F280-I663 HydrophobicContact CE2-CG1 4.16Å | ||
| 281 | N | 95.9 | Very high | 96 | Very high | 83 Ų | 83 | 41.4 Ų | 41.4 | 44% | 0.444 | 23% | 0.234 | S | C | . | . | trans | -77.3 | 168.8 | 168.9 | 70.8 | 54.5 | 0 | 0 | 0 | 110.7 | S283 F284 S285 | N281-S283 PolarHBondContact O-N 3.41Å; N281-S283 WeakPolarHBondContact OD1-CA 3.12Å; N281-S283 WeakPolarHBondContact OD1-CB 3.12Å; N281-S283 PolarHBondContact OD1-N 2.85Å; N281-S283 PolarHBondContact OD1-OG 3.31Å; N281-F284 PolarHBondContact O-N 3.34Å; N281-F284 VanDerWaalsContact O-N 3.11Å; N281-S285 PolarHBondContact O-N 3.15Å | ||
| 282 | C | 96.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 10.6 | -176.7 | -59.3 | 0 | 0 | 0 | 0 | 116 | R273 C286 | R273-C282 VanDerWaalsContact NH2-CB 3.26Å; R273-C282 PolarHBondContact NH2-O 2.91Å; C282-C286 WeakPolarHBondContact CA-SG 3.46Å; C282-C286 HydrophobicContact CB-CB 3.49Å; C282-C286 VanDerWaalsContact CB-CB 3.49Å; C282-C286 WeakPolarHBondContact CB-SG 3.44Å; C282-C286 WeakPolarHBondContact SG-CB 3.22Å; C282-C286 CovalentContact SG-SG 2.04Å; C282-C286 PolarHBondContact SG-SG 3.48Å |
| 283 | S | 94.8 | Very high | 95.8 | Very high | 68 Ų | 68 | 45.6 Ų | 45.6 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -16 | 167.9 | -43.2 | 0 | 0 | 0 | 0 | 112.6 | N281 | N281-S283 PolarHBondContact O-N 3.41Å; N281-S283 WeakPolarHBondContact OD1-CA 3.12Å; N281-S283 WeakPolarHBondContact OD1-CB 3.12Å; N281-S283 PolarHBondContact OD1-N 2.85Å; N281-S283 PolarHBondContact OD1-OG 3.31Å |
| 284 | F | 96.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -135.5 | 11.2 | -177.6 | -55.5 | -59 | 0 | 0 | 0 | 112.2 | M216 D217 K218 F219 F280 N281 P659 | M216-F284 CarbonylContact C-O 3.55Å; M216-F284 WeakPolarHBondContact CA-O 3.42Å; M216-F284 WeakPolarHBondContact CB-O 3.32Å; D217-F284 PolarHBondContact N-O 2.73Å; D217-F284 CarbonylContact O-C 3.35Å; D217-F284 VanDerWaalsContact O-CA 3.32Å; D217-F284 WeakPolarHBondContact O-CA 3.46Å; D217-F284 WeakPolarHBondContact OD1-CA 3.39Å; K218-F284 HydrophobicContact CB-CD1 4.16Å; K218-F284 HydrophobicContact CD-CD1 4.4Å; K218-F284 HydrophobicContact CD-CE1 4.31Å; K218-F284 HydrophobicContact CG-CD1 4.31Å; K218-F284 HydrophobicContact CG-CE1 4.32Å; F219-F284 HydrophobicContact CB-CB 4.27Å; F219-F284 HydrophobicContact CB-CD1 3.8Å; F219-F284 HydrophobicContact CB-CE1 4.37Å; F219-F284 HydrophobicContact CB-CG 4.11Å; F219-F284 HydrophobicContact CD2-CE1 4.49Å; F280-F284 HydrophobicContact CD1-CB 3.77Å; F280-F284 HydrophobicContact CD1-CD2 4.34Å; F280-F284 HydrophobicContact CD1-CG 4.44Å; F280-F284 HydrophobicContact CE1-CB 4.49Å; N281-F284 PolarHBondContact O-N 3.34Å; N281-F284 VanDerWaalsContact O-N 3.11Å; F284-P659 HydrophobicContact CD2-CG 4.18Å; F284-P659 HydrophobicContact CE2-CG 3.79Å |
| 285 | S | 96.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | trans | -163.2 | -159.4 | -173.7 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | N215 D217 W277 N281 | N215-S285 WeakPolarHBondContact O-CB 3.4Å; N215-S285 PolarHBondContact O-OG 3.34Å; D217-S285 PolarHBondContact OD1-N 3.18Å; W277-S285 PolarHBondContact N-OG 3.02Å; W277-S285 VanDerWaalsContact N-OG 3.11Å; N281-S285 PolarHBondContact O-N 3.15Å | ||
| 286 | C | 95.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | trans | 58.4 | 52.9 | -174.5 | -49.9 | 0 | 0 | 0 | 0 | 110.5 | R273 L274 P276 C282 | R273-C286 HydrophobicContact CG-CB 4.22Å; R273-C286 WeakPolarHBondContact CG-O 3.41Å; R273-C286 PolarHBondContact NE-O 3.47Å; L274-C286 WeakPolarHBondContact O-CA 3.48Å; L274-C286 WeakPolarHBondContact O-CB 3.49Å; P276-C286 VanDerWaalsContact CA-SG 3.55Å; P276-C286 VanDerWaalsContact N-SG 3.41Å; C282-C286 WeakPolarHBondContact CA-SG 3.46Å; C282-C286 HydrophobicContact CB-CB 3.49Å; C282-C286 VanDerWaalsContact CB-CB 3.49Å; C282-C286 WeakPolarHBondContact CB-SG 3.44Å; C282-C286 WeakPolarHBondContact SG-CB 3.22Å; C282-C286 CovalentContact SG-SG 2.04Å; C282-C286 PolarHBondContact SG-SG 3.48Å | ||
| 287 | S | 94.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | trans | -61.1 | 156 | -175.5 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | A214 L274 | A214-S287 VanDerWaalsContact O-CB 3.24Å; A214-S287 WeakPolarHBondContact O-CB 3.28Å; A214-S287 PolarHBondContact O-OG 3.49Å; L274-S287 PolarHBondContact N-O 2.89Å | ||
| 288 | Y | 96.8 | Very high | 96.2 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 112.2 | -177.4 | -67.6 | -95.2 | 0 | 0 | 0 | 108.7 | N257 V258 K260 L263 V271 R273 | N257-Y288 PolarHBondContact OD1-O 3.13Å; V258-Y288 WeakPolarHBondContact CG2-O 3.35Å; V258-Y288 PolarHBondContact N-O 3.05Å; V258-Y288 WeakPolarHBondContact O-CB 3.36Å; K260-Y288 HydrophobicContact CB-CD2 4.2Å; K260-Y288 HydrophobicContact CB-CE2 3.82Å; K260-Y288 HydrophobicContact CD-CE2 4.39Å; K260-Y288 HydrophobicContact CG-CE2 4.03Å; L263-Y288 HydrophobicContact CD1-CD1 3.84Å; L263-Y288 HydrophobicContact CD1-CE1 3.68Å; V271-Y288 HydrophobicContact CG1-CD1 3.97Å; V271-Y288 HydrophobicContact CG1-CG 4.32Å; R273-Y288 HydrophobicContact CB-CD1 4.16Å; R273-Y288 HydrophobicContact CB-CE1 4.09Å; R273-Y288 HydrophobicContact CG-CD1 4.25Å; R273-Y288 HydrophobicContact CG-CE1 3.98Å; R273-Y288 HydrophobicContact CG-CE2 4.49Å |
| 289 | I | 96.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 119.8 | 179 | -56.2 | -54.9 | 0 | 0 | 0 | 109.1 | A214 N257 V271 T272 L274 T322 F323 | A214-I289 HydrophobicContact CB-CD1 4.22Å; N257-I289 HydrophobicContact CB-CD1 3.91Å; V271-I289 WeakPolarHBondContact CA-O 3Å; T272-I289 PolarHBondContact N-O 2.96Å; T272-I289 PolarHBondContact O-N 2.91Å; L274-I289 HydrophobicContact CD1-CD1 4.26Å; L274-I289 HydrophobicContact CD1-CG1 3.5Å; L274-I289 HydrophobicContact CD2-CG1 4.31Å; L274-I289 HydrophobicContact CG-CG1 3.71Å; I289-T322 HydrophobicContact CG2-CG2 4.38Å; I289-F323 HydrophobicContact CG2-CE1 4.4Å |
| 290 | L | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 132.2 | 174 | -173.8 | 60 | 0 | 0 | 0 | 109.8 | G256 V258 A269 V271 D294 L296 F297 I300 | G256-L290 WeakPolarHBondContact O-CB 3.21Å; G256-L290 PolarHBondContact O-N 2.96Å; V258-L290 HydrophobicContact CG1-CB 4.26Å; V258-L290 HydrophobicContact CG1-CD2 4.37Å; V258-L290 HydrophobicContact CG2-CB 4.39Å; A269-L290 HydrophobicContact CB-CD1 4.15Å; V271-L290 HydrophobicContact CG2-CD1 3.63Å; L290-D294 HydrophobicContact CD1-CB 3.97Å; L290-D294 HydrophobicContact CG-CB 4.33Å; L290-L296 HydrophobicContact CD1-CB 4.41Å; L290-L296 HydrophobicContact CD1-CD2 4.28Å; L290-L296 HydrophobicContact CD2-CB 3.96Å; L290-L296 HydrophobicContact CD2-CD2 4.21Å; L290-L296 HydrophobicContact CD2-CG 3.93Å; L290-F297 HydrophobicContact CB-CD2 4.29Å; L290-F297 HydrophobicContact CD2-CB 4.02Å; L290-F297 HydrophobicContact CD2-CD2 4.44Å; L290-F297 HydrophobicContact CG-CB 4.32Å; L290-F297 HydrophobicContact CG-CD2 4.3Å; L290-I300 HydrophobicContact CD2-CD1 4.3Å |
| 291 | D | 96.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 132.4 | 177.4 | -171.8 | -67.3 | 0 | 0 | 0 | 109.2 | N270 R293 D294 | N270-D291 HydrophobicContact CB-CB 3.96Å; N270-D291 VanDerWaalsContact ND2-CB 3.34Å; N270-D291 WeakPolarHBondContact ND2-CB 3.17Å; N270-D291 VanDerWaalsContact ND2-CG 3.33Å; N270-D291 PolarHBondContact ND2-OD2 2.9Å; N270-D291 VanDerWaalsContact ND2-OD2 3.1Å; N270-D291 VanDerWaalsContact O-CB 3.29Å; N270-D291 WeakPolarHBondContact O-CB 3.27Å; N270-D291 PolarHBondContact O-N 3.43Å; D291-R293 PolarHBondContact O-N 3.06Å; D291-R293 VanDerWaalsContact OD1-CB 3.29Å; D291-R293 WeakPolarHBondContact OD1-CB 3.4Å; D291-R293 IonicContact OD1-CZ 3.66Å; D291-R293 PolarHBondContact OD1-N 3.07Å; D291-R293 IonicContact OD1-NE 2.91Å; D291-R293 PolarHBondContact OD1-NE 3.21Å; D291-R293 IonicContact OD1-NH2 3.53Å; D291-R293 IonicContact OD2-CZ 3.64Å; D291-R293 IonicContact OD2-NE 3.67Å; D291-R293 IonicContact OD2-NH2 2.76Å; D291-R293 PolarHBondContact OD2-NH2 3.35Å; D291-D294 WeakPolarHBondContact O-CB 3.25Å; D291-D294 PolarHBondContact O-N 2.72Å |
| 292 | P | 94.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.032 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.3 | -176.8 | 26.9 | -37.9 | 0 | 0 | 0 | 113.6 | F297 Y335 A338 V339 S342 | P292-F297 HydrophobicContact CB-CD2 4.49Å; P292-F297 HydrophobicContact CB-CE2 4.47Å; P292-Y335 HydrophobicContact CG-CE2 4.09Å; P292-A338 HydrophobicContact CG-CB 4.23Å; P292-V339 HydrophobicContact CB-CG2 4.36Å; P292-V339 HydrophobicContact CG-CB 4.47Å; P292-V339 HydrophobicContact CG-CG2 3.78Å; P292-S342 VanDerWaalsContact O-CB 3.23Å; P292-S342 WeakPolarHBondContact O-CB 3.44Å; P292-S342 PolarHBondContact O-OG 3.04Å |
| 293 | R | 94.6 | Very high | 97 | Very high | 159 Ų | 159 | 35.9 Ų | 35.9 | 60% | 0.6 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -6.3 | 179.4 | -57.7 | 162.2 | -66.6 | -175.4 | 0.5 | 112.5 | D291 A338 | D291-R293 PolarHBondContact O-N 3.06Å; D291-R293 VanDerWaalsContact OD1-CB 3.29Å; D291-R293 WeakPolarHBondContact OD1-CB 3.4Å; D291-R293 IonicContact OD1-CZ 3.66Å; D291-R293 PolarHBondContact OD1-N 3.07Å; D291-R293 IonicContact OD1-NE 2.91Å; D291-R293 PolarHBondContact OD1-NE 3.21Å; D291-R293 IonicContact OD1-NH2 3.53Å; D291-R293 IonicContact OD2-CZ 3.64Å; D291-R293 IonicContact OD2-NE 3.67Å; D291-R293 IonicContact OD2-NH2 2.76Å; D291-R293 PolarHBondContact OD2-NH2 3.35Å; R293-A338 HydrophobicContact CG-CB 4.19Å |
| 294 | D | 97.8 | Very high | 97.1 | Very high | 27 Ų | 27 | 32.7 Ų | 32.7 | 14% | 0.144 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -71.6 | 130.2 | 174.4 | -164.4 | -65.9 | 0 | 0 | 0 | 109.9 | A269 N270 L290 D291 L296 F297 | A269-D294 WeakPolarHBondContact CA-OD2 3.07Å; N270-D294 PolarHBondContact N-OD2 3.47Å; L290-D294 HydrophobicContact CD1-CB 3.97Å; L290-D294 HydrophobicContact CG-CB 4.33Å; D291-D294 WeakPolarHBondContact O-CB 3.25Å; D291-D294 PolarHBondContact O-N 2.72Å; D294-L296 PolarHBondContact O-N 2.88Å; D294-L296 VanDerWaalsContact O-N 3.07Å; D294-L296 WeakPolarHBondContact OD1-CB 3.42Å; D294-L296 PolarHBondContact OD1-N 3.02Å; D294-F297 VanDerWaalsContact O-CB 3.25Å; D294-F297 WeakPolarHBondContact O-CB 3.4Å; D294-F297 PolarHBondContact O-N 3.45Å |
| 295 | P | 96.8 | Very high | 97.2 | Very high | 107 Ų | 107 | 30.7 Ų | 30.7 | 70% | 0.695 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -55.3 | -27.2 | 178 | -26.5 | 35 | 0 | 0 | 0 | 114.1 | F297 L298 Q299 | P295-F297 PolarHBondContact O-N 2.89Å; P295-L298 PolarHBondContact O-N 3.25Å; P295-Q299 PolarHBondContact O-N 3.32Å |
| 296 | L | 97.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -25.4 | 177.4 | -173.5 | 63 | 0 | 0 | 0 | 112.1 | I262 Y266 A269 L290 D294 Q299 I300 | I262-L296 HydrophobicContact CG2-CD2 3.75Å; Y266-L296 HydrophobicContact CD1-CD1 4.11Å; Y266-L296 HydrophobicContact CD1-CD2 4.31Å; Y266-L296 HydrophobicContact CD2-CD1 4.22Å; Y266-L296 HydrophobicContact CD2-CD2 3.87Å; Y266-L296 HydrophobicContact CE1-CD1 3.96Å; Y266-L296 HydrophobicContact CE2-CD1 4.08Å; Y266-L296 HydrophobicContact CG-CD1 4.24Å; Y266-L296 HydrophobicContact CG-CD2 3.76Å; A269-L296 HydrophobicContact CB-CD2 3.93Å; L290-L296 HydrophobicContact CD1-CB 4.41Å; L290-L296 HydrophobicContact CD1-CD2 4.28Å; L290-L296 HydrophobicContact CD2-CB 3.96Å; L290-L296 HydrophobicContact CD2-CD2 4.21Å; L290-L296 HydrophobicContact CD2-CG 3.93Å; D294-L296 PolarHBondContact O-N 2.88Å; D294-L296 VanDerWaalsContact O-N 3.07Å; D294-L296 WeakPolarHBondContact OD1-CB 3.42Å; D294-L296 PolarHBondContact OD1-N 3.02Å; L296-Q299 HydrophobicContact CD1-CB 4.49Å; L296-Q299 PolarHBondContact O-N 2.91Å; L296-I300 HydrophobicContact CD1-CD1 3.93Å; L296-I300 HydrophobicContact CD1-CG1 3.87Å; L296-I300 HydrophobicContact CD2-CD1 4.04Å; L296-I300 HydrophobicContact CG-CD1 3.66Å; L296-I300 HydrophobicContact CG-CG1 4Å; L296-I300 WeakPolarHBondContact O-CG1 3.4Å; L296-I300 PolarHBondContact O-N 2.99Å |
| 297 | F | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -51.1 | 179 | -166.1 | -69.2 | 0 | 0 | 0 | 110.8 | F254 L290 P292 D294 P295 Q299 G301 V343 | F254-F297 HydrophobicContact CD1-CD1 4.2Å; F254-F297 AromaticContact CD1-CE1 3.93Å; F254-F297 HydrophobicContact CD1-CE1 3.93Å; F254-F297 HydrophobicContact CD1-CZ 4.21Å; F254-F297 HydrophobicContact CE1-CD1 4.04Å; F254-F297 HydrophobicContact CE1-CD2 4.15Å; F254-F297 HydrophobicContact CE1-CE1 4.04Å; F254-F297 HydrophobicContact CE1-CE2 4.2Å; F254-F297 HydrophobicContact CE1-CG 4.07Å; F254-F297 HydrophobicContact CE1-CZ 4.12Å; L290-F297 HydrophobicContact CB-CD2 4.29Å; L290-F297 HydrophobicContact CD2-CB 4.02Å; L290-F297 HydrophobicContact CD2-CD2 4.44Å; L290-F297 HydrophobicContact CG-CB 4.32Å; L290-F297 HydrophobicContact CG-CD2 4.3Å; P292-F297 HydrophobicContact CB-CD2 4.49Å; P292-F297 HydrophobicContact CB-CE2 4.47Å; D294-F297 VanDerWaalsContact O-CB 3.25Å; D294-F297 WeakPolarHBondContact O-CB 3.4Å; D294-F297 PolarHBondContact O-N 3.45Å; P295-F297 PolarHBondContact O-N 2.89Å; F297-Q299 VanDerWaalsContact C-N 3.34Å; F297-G301 PolarHBondContact O-N 2.97Å; F297-V343 HydrophobicContact CE1-CG2 4.11Å; F297-V343 HydrophobicContact CZ-CG2 3.71Å |
| 298 | L | 97.9 | Very high | 97.6 | Very high | 84 Ų | 84 | 34.1 Ų | 34.1 | 44% | 0.44 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 177.6 | -178.6 | 58.8 | 0 | 0 | 0 | 110.6 | P295 G301 T302 A349 | P295-L298 PolarHBondContact O-N 3.25Å; L298-G301 PolarHBondContact O-N 3.2Å; L298-T302 VanDerWaalsContact O-CB 3.25Å; L298-T302 WeakPolarHBondContact O-CB 3.48Å; L298-T302 PolarHBondContact O-N 3.01Å; L298-T302 PolarHBondContact O-OG1 3Å; L298-A349 HydrophobicContact CD1-CB 4.14Å |
| 299 | Q | 98 | Very high | 97.7 | Very high | 90 Ų | 90 | 34.6 Ų | 34.6 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.1 | -52.1 | 179.7 | -176.4 | -177.4 | -11.6 | 0 | 0 | 112.4 | P295 L296 F297 L303 | P295-Q299 PolarHBondContact O-N 3.32Å; L296-Q299 HydrophobicContact CD1-CB 4.49Å; L296-Q299 PolarHBondContact O-N 2.91Å; F297-Q299 VanDerWaalsContact C-N 3.34Å; Q299-L303 HydrophobicContact CG-CD1 4.21Å; Q299-L303 WeakPolarHBondContact O-CB 3.24Å; Q299-L303 VanDerWaalsContact O-CG 3.27Å; Q299-L303 WeakPolarHBondContact O-CG 3.46Å; Q299-L303 PolarHBondContact O-N 3.07Å |
| 300 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.1 | -44.9 | -179.2 | -66.4 | 178.6 | 0 | 0 | 0 | 110.5 | W184 L191 F254 V258 I262 L290 L296 T302 L303 Y304 | W184-I300 HydrophobicContact CH2-CG2 4.32Å; W184-I300 HydrophobicContact CZ3-CG2 3.99Å; L191-I300 HydrophobicContact CD1-CD1 4.4Å; L191-I300 HydrophobicContact CD1-CG1 4.08Å; F254-I300 HydrophobicContact CD1-CG2 4.46Å; F254-I300 HydrophobicContact CD2-CG2 4.21Å; F254-I300 HydrophobicContact CE1-CB 4.21Å; F254-I300 HydrophobicContact CE1-CG2 4.14Å; F254-I300 HydrophobicContact CE2-CG2 3.83Å; F254-I300 HydrophobicContact CG-CG2 4.48Å; F254-I300 HydrophobicContact CZ-CB 4.19Å; F254-I300 HydrophobicContact CZ-CG2 3.78Å; V258-I300 HydrophobicContact CG1-CD1 4.02Å; I262-I300 HydrophobicContact CD1-CD1 4.12Å; L290-I300 HydrophobicContact CD2-CD1 4.3Å; L296-I300 HydrophobicContact CD1-CD1 3.93Å; L296-I300 HydrophobicContact CD1-CG1 3.87Å; L296-I300 HydrophobicContact CD2-CD1 4.04Å; L296-I300 HydrophobicContact CG-CD1 3.66Å; L296-I300 HydrophobicContact CG-CG1 4Å; L296-I300 WeakPolarHBondContact O-CG1 3.4Å; L296-I300 PolarHBondContact O-N 2.99Å; I300-T302 PolarHBondContact O-N 3.44Å; I300-L303 PolarHBondContact O-N 3.29Å; I300-Y304 PolarHBondContact O-N 3.46Å |
| 301 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F297 L298 Y304 L305 | F297-G301 PolarHBondContact O-N 2.97Å; L298-G301 PolarHBondContact O-N 3.2Å; G301-Y304 PolarHBondContact O-N 2.94Å; G301-L305 WeakPolarHBondContact O-CB 3.49Å; G301-L305 PolarHBondContact O-N 3.31Å |
| 302 | T | 98.5 | Very high | 97.9 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 23% | 0.233 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 174.7 | -65.1 | 0 | 0 | 0 | 0 | 112 | L298 I300 S306 V350 | L298-T302 VanDerWaalsContact O-CB 3.25Å; L298-T302 WeakPolarHBondContact O-CB 3.48Å; L298-T302 PolarHBondContact O-N 3.01Å; L298-T302 PolarHBondContact O-OG1 3Å; I300-T302 PolarHBondContact O-N 3.44Å; T302-S306 WeakPolarHBondContact O-CB 3.34Å; T302-S306 PolarHBondContact O-N 3.35Å; T302-S306 PolarHBondContact O-OG 2.91Å; T302-V350 HydrophobicContact CG2-CG2 3.81Å |
| 303 | L | 98.5 | Very high | 98 | Very high | 75 Ų | 75 | 45.6 Ų | 45.6 | 39% | 0.393 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.3 | -48 | 177.3 | -76.1 | 169.9 | 0 | 0 | 0 | 111.6 | V187 L191 Q299 I300 S306 E307 | V187-L303 HydrophobicContact CG1-CB 4.16Å; L191-L303 HydrophobicContact CD2-CD1 3.8Å; L191-L303 HydrophobicContact CG-CD1 4.37Å; Q299-L303 HydrophobicContact CG-CD1 4.21Å; Q299-L303 WeakPolarHBondContact O-CB 3.24Å; Q299-L303 VanDerWaalsContact O-CG 3.27Å; Q299-L303 WeakPolarHBondContact O-CG 3.46Å; Q299-L303 PolarHBondContact O-N 3.07Å; I300-L303 PolarHBondContact O-N 3.29Å; L303-S306 PolarHBondContact O-N 3.47Å; L303-E307 PolarHBondContact O-N 3.36Å; L303-E307 VanDerWaalsContact O-N 3.09Å |
| 304 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -51.3 | 179.8 | 177.6 | -107.3 | 0 | 0 | 0 | 112.4 | L183 W184 V187 P252 I300 G301 S306 E307 V308 | L183-Y304 HydrophobicContact CB-CE2 3.97Å; W184-Y304 AromaticContact CD1-CE2 3.56Å; W184-Y304 AromaticContact CD1-CZ 3.95Å; W184-Y304 AromaticContact CD2-CD2 3.38Å; W184-Y304 HydrophobicContact CD2-CD2 3.38Å; W184-Y304 AromaticContact CD2-CE2 3.42Å; W184-Y304 HydrophobicContact CD2-CE2 3.42Å; W184-Y304 VanDerWaalsContact CD2-CE2 3.42Å; W184-Y304 HydrophobicContact CD2-CG 4.13Å; W184-Y304 AromaticContact CE2-CD2 3.36Å; W184-Y304 AromaticContact CE2-CE1 3.94Å; W184-Y304 AromaticContact CE2-CE2 3.2Å; W184-Y304 AromaticContact CE2-CG 3.78Å; W184-Y304 AromaticContact CE2-CZ 3.5Å; W184-Y304 AromaticContact CE3-CD2 3.54Å; W184-Y304 HydrophobicContact CE3-CD2 3.54Å; W184-Y304 HydrophobicContact CE3-CE2 4.09Å; W184-Y304 HydrophobicContact CE3-CG 4.09Å; W184-Y304 HydrophobicContact CG-CD2 4.02Å; W184-Y304 AromaticContact CG-CE2 3.63Å; W184-Y304 HydrophobicContact CG-CE2 3.63Å; W184-Y304 AromaticContact CH2-CD1 3.76Å; W184-Y304 HydrophobicContact CH2-CD1 3.76Å; W184-Y304 AromaticContact CH2-CD2 3.6Å; W184-Y304 HydrophobicContact CH2-CD2 3.6Å; W184-Y304 HydrophobicContact CH2-CE1 4.42Å; W184-Y304 HydrophobicContact CH2-CE2 4.28Å; W184-Y304 AromaticContact CH2-CG 3.28Å; W184-Y304 HydrophobicContact CH2-CG 3.28Å; W184-Y304 AromaticContact CZ2-CD1 3.48Å; W184-Y304 HydrophobicContact CZ2-CD1 3.48Å; W184-Y304 VanDerWaalsContact CZ2-CD1 3.48Å; W184-Y304 AromaticContact CZ2-CD2 3.48Å; W184-Y304 HydrophobicContact CZ2-CD2 3.48Å; W184-Y304 VanDerWaalsContact CZ2-CD2 3.48Å; W184-Y304 AromaticContact CZ2-CE1 3.68Å; W184-Y304 HydrophobicContact CZ2-CE1 3.68Å; W184-Y304 AromaticContact CZ2-CE2 3.69Å; W184-Y304 HydrophobicContact CZ2-CE2 3.69Å; W184-Y304 AromaticContact CZ2-CG 3.35Å; W184-Y304 HydrophobicContact CZ2-CG 3.35Å; W184-Y304 AromaticContact CZ2-CZ 3.76Å; W184-Y304 AromaticContact CZ3-CD2 3.65Å; W184-Y304 HydrophobicContact CZ3-CD2 3.65Å; W184-Y304 HydrophobicContact CZ3-CE2 4.48Å; W184-Y304 AromaticContact CZ3-CG 3.7Å; W184-Y304 HydrophobicContact CZ3-CG 3.7Å; W184-Y304 AromaticContact NE1-CD2 3.97Å; W184-Y304 AromaticContact NE1-CE2 3.3Å; W184-Y304 VanDerWaalsContact NE1-CE2 3.3Å; W184-Y304 AromaticContact NE1-CZ 3.35Å; W184-Y304 VanDerWaalsContact NE1-CZ 3.35Å; W184-Y304 PolarHBondContact NE1-OH 3.24Å; V187-Y304 HydrophobicContact CG2-CD2 4.31Å; P252-Y304 HydrophobicContact CB-CE1 4.37Å; P252-Y304 HydrophobicContact CG-CE1 4.43Å; P252-Y304 VanDerWaalsContact CG-OH 3.23Å; P252-Y304 WeakPolarHBondContact CG-OH 3.24Å; I300-Y304 PolarHBondContact O-N 3.46Å; G301-Y304 PolarHBondContact O-N 2.94Å; Y304-S306 VanDerWaalsContact C-N 3.27Å; Y304-S306 PolarHBondContact O-N 2.9Å; Y304-E307 PolarHBondContact O-N 3.3Å; Y304-E307 VanDerWaalsContact O-N 3.08Å; Y304-V308 HydrophobicContact CD1-CG2 4.16Å; Y304-V308 HydrophobicContact CE1-CG2 3.71Å; Y304-V308 HydrophobicContact CE2-CG2 4.1Å; Y304-V308 WeakPolarHBondContact O-CG2 3.46Å; Y304-V308 PolarHBondContact O-N 2.95Å |
| 305 | L | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.5 | -32.8 | -178.8 | -166.1 | 64.5 | 0 | 0 | 0 | 112 | G301 E307 V308 V309 Y318 M347 V350 | G301-L305 WeakPolarHBondContact O-CB 3.49Å; G301-L305 PolarHBondContact O-N 3.31Å; L305-E307 VanDerWaalsContact C-N 3.31Å; L305-E307 PolarHBondContact O-N 3.35Å; L305-V308 HydrophobicContact CD1-CB 4.29Å; L305-V308 HydrophobicContact CD1-CG1 4.4Å; L305-V308 PolarHBondContact O-N 3.18Å; L305-V309 HydrophobicContact CG-CG2 4.38Å; L305-V309 WeakPolarHBondContact O-CB 3.32Å; L305-V309 VanDerWaalsContact O-CG2 3.3Å; L305-V309 WeakPolarHBondContact O-CG2 2.91Å; L305-V309 PolarHBondContact O-N 3.5Å; L305-Y318 HydrophobicContact CD1-CD1 3.57Å; L305-Y318 HydrophobicContact CD1-CE1 3.53Å; L305-Y318 HydrophobicContact CD1-CG 4.25Å; L305-Y318 HydrophobicContact CD2-CE1 4.45Å; L305-Y318 HydrophobicContact CD2-CE2 4.45Å; L305-Y318 HydrophobicContact CG-CE1 4.37Å; L305-M347 VanDerWaalsContact CD2-CA 3.48Å; L305-M347 HydrophobicContact CD2-CB 4.07Å; L305-M347 HydrophobicContact CD2-CG 4.28Å; L305-V350 HydrophobicContact CB-CB 4.44Å; L305-V350 HydrophobicContact CB-CG2 4.11Å; L305-V350 HydrophobicContact CD2-CB 4.06Å; L305-V350 HydrophobicContact CD2-CG2 4.43Å; L305-V350 HydrophobicContact CG-CB 4.26Å; L305-V350 HydrophobicContact CG-CG1 4.38Å; L305-V350 HydrophobicContact CG-CG2 4.47Å |
| 306 | S | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 34.6 Ų | 34.6 | 34% | 0.336 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 171.8 | -62 | 0 | 0 | 0 | 0 | 111.6 | T302 L303 Y304 V309 K310 V350 | T302-S306 WeakPolarHBondContact O-CB 3.34Å; T302-S306 PolarHBondContact O-N 3.35Å; T302-S306 PolarHBondContact O-OG 2.91Å; L303-S306 PolarHBondContact O-N 3.47Å; Y304-S306 VanDerWaalsContact C-N 3.27Å; Y304-S306 PolarHBondContact O-N 2.9Å; S306-V309 PolarHBondContact O-N 2.88Å; S306-K310 WeakPolarHBondContact O-CB 3.46Å; S306-K310 PolarHBondContact O-N 3.44Å; S306-V350 WeakPolarHBondContact OG-CG2 3.2Å |
| 307 | E | 98.5 | Very high | 98.4 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -40.4 | 177.7 | -166.8 | 59.5 | -151 | 0 | 0 | 111.5 | L183 V187 L303 Y304 L305 V309 K310 Q311 | L183-E307 HydrophobicContact CB-CG 4.46Å; L183-E307 HydrophobicContact CD2-CG 4.24Å; V187-E307 HydrophobicContact CG2-CB 4.24Å; L303-E307 PolarHBondContact O-N 3.36Å; L303-E307 VanDerWaalsContact O-N 3.09Å; Y304-E307 PolarHBondContact O-N 3.3Å; Y304-E307 VanDerWaalsContact O-N 3.08Å; L305-E307 VanDerWaalsContact C-N 3.31Å; L305-E307 PolarHBondContact O-N 3.35Å; E307-V309 PolarHBondContact O-N 3.28Å; E307-K310 PolarHBondContact O-N 3.45Å; E307-K310 IonicContact OE1-NZ 2.79Å; E307-K310 PolarHBondContact OE1-NZ 3.41Å; E307-K310 IonicContact OE2-NZ 3.79Å; E307-K310 PolarHBondContact OE2-NZ 3.1Å; E307-Q311 HydrophobicContact CG-CG 4.33Å; E307-Q311 WeakPolarHBondContact O-CB 3.46Å; E307-Q311 VanDerWaalsContact O-CG 3.26Å; E307-Q311 WeakPolarHBondContact O-CG 3.23Å; E307-Q311 PolarHBondContact O-N 2.97Å; E307-Q311 WeakPolarHBondContact OE1-CG 3.43Å; E307-Q311 PolarHBondContact OE1-NE2 2.88Å |
| 308 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56 | -52.6 | 172.2 | 172 | 0 | 0 | 0 | 0 | 110.9 | L183 L251 Y304 L305 K310 Q311 F312 | L183-V308 HydrophobicContact CD1-CB 4.19Å; L183-V308 HydrophobicContact CD1-CG2 3.6Å; L251-V308 HydrophobicContact CB-CG1 4.09Å; L251-V308 HydrophobicContact CD1-CG1 3.94Å; L251-V308 HydrophobicContact CG-CG1 4.47Å; Y304-V308 HydrophobicContact CD1-CG2 4.16Å; Y304-V308 HydrophobicContact CE1-CG2 3.71Å; Y304-V308 HydrophobicContact CE2-CG2 4.1Å; Y304-V308 WeakPolarHBondContact O-CG2 3.46Å; Y304-V308 PolarHBondContact O-N 2.95Å; L305-V308 HydrophobicContact CD1-CB 4.29Å; L305-V308 HydrophobicContact CD1-CG1 4.4Å; L305-V308 PolarHBondContact O-N 3.18Å; V308-K310 PolarHBondContact O-N 3.31Å; V308-Q311 PolarHBondContact O-N 3.14Å; V308-F312 HydrophobicContact CG1-CD2 4.4Å; V308-F312 WeakPolarHBondContact O-CB 3.28Å; V308-F312 PolarHBondContact O-N 3.46Å |
| 309 | V | 98.5 | Very high | 98.4 | Very high | 39 Ų | 39 | 30.2 Ų | 30.2 | 24% | 0.236 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.8 | -38.8 | -178.1 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L305 S306 E307 G313 T314 V350 | L305-V309 HydrophobicContact CG-CG2 4.38Å; L305-V309 WeakPolarHBondContact O-CB 3.32Å; L305-V309 VanDerWaalsContact O-CG2 3.3Å; L305-V309 WeakPolarHBondContact O-CG2 2.91Å; L305-V309 PolarHBondContact O-N 3.5Å; S306-V309 PolarHBondContact O-N 2.88Å; E307-V309 PolarHBondContact O-N 3.28Å; V309-G313 WeakPolarHBondContact O-CA 3.36Å; V309-G313 PolarHBondContact O-N 2.85Å; V309-T314 HydrophobicContact CG1-CG2 4.44Å; V309-V350 HydrophobicContact CB-CG1 4.41Å; V309-V350 HydrophobicContact CG2-CG1 4.06Å |
| 310 | K | 98.1 | Very high | 98.4 | Very high | 145 Ų | 145 | 26.3 Ų | 26.3 | 63% | 0.63 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -62.7 | -45.1 | 176.9 | 172.6 | -177.5 | 154 | -144 | 0 | 111.9 | S306 E307 V308 | S306-K310 WeakPolarHBondContact O-CB 3.46Å; S306-K310 PolarHBondContact O-N 3.44Å; E307-K310 PolarHBondContact O-N 3.45Å; E307-K310 IonicContact OE1-NZ 2.79Å; E307-K310 PolarHBondContact OE1-NZ 3.41Å; E307-K310 IonicContact OE2-NZ 3.79Å; E307-K310 PolarHBondContact OE2-NZ 3.1Å; V308-K310 PolarHBondContact O-N 3.31Å |
| 311 | Q | 97.8 | Very high | 98.2 | Very high | 66 Ų | 66 | 26.7 Ų | 26.7 | 31% | 0.308 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -76.9 | -47.1 | -178 | -66.2 | -66.5 | -16.5 | 0 | 0 | 111.4 | L183 F236 E307 V308 | L183-Q311 HydrophobicContact CD2-CB 4.26Å; L183-Q311 HydrophobicContact CD2-CG 3.8Å; F236-Q311 WeakPolarHBondContact CE1-O 3.45Å; E307-Q311 HydrophobicContact CG-CG 4.33Å; E307-Q311 WeakPolarHBondContact O-CB 3.46Å; E307-Q311 VanDerWaalsContact O-CG 3.26Å; E307-Q311 WeakPolarHBondContact O-CG 3.23Å; E307-Q311 PolarHBondContact O-N 2.97Å; E307-Q311 WeakPolarHBondContact OE1-CG 3.43Å; E307-Q311 PolarHBondContact OE1-NE2 2.88Å; V308-Q311 PolarHBondContact O-N 3.14Å |
| 312 | F | 98.3 | Very high | 97.7 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -107.9 | -5.6 | -166.7 | -62.4 | -35.9 | 0 | 0 | 0 | 114.7 | L183 L232 Q235 F236 L239 R243 L251 V308 | L183-F312 HydrophobicContact CD1-CD2 4.02Å; L183-F312 HydrophobicContact CD1-CE2 3.51Å; L183-F312 HydrophobicContact CD1-CZ 4.24Å; L183-F312 HydrophobicContact CG-CE2 4.3Å; L232-F312 HydrophobicContact CD1-CE1 3.51Å; L232-F312 HydrophobicContact CD1-CZ 3.39Å; Q235-F312 HydrophobicContact CB-CE1 4.16Å; Q235-F312 HydrophobicContact CB-CZ 4.03Å; Q235-F312 HydrophobicContact CG-CD1 4.25Å; Q235-F312 HydrophobicContact CG-CD2 4.39Å; Q235-F312 HydrophobicContact CG-CE1 3.71Å; Q235-F312 HydrophobicContact CG-CE2 3.86Å; Q235-F312 HydrophobicContact CG-CZ 3.49Å; Q235-F312 VanDerWaalsContact CG-CZ 3.49Å; F236-F312 HydrophobicContact CD1-CD1 4.18Å; F236-F312 HydrophobicContact CD1-CE1 4.39Å; F236-F312 HydrophobicContact CD2-CE1 4.45Å; F236-F312 AromaticContact CE1-CD1 3.85Å; F236-F312 HydrophobicContact CE1-CD1 3.85Å; F236-F312 HydrophobicContact CE1-CE1 4.13Å; F236-F312 HydrophobicContact CE2-CE1 4.17Å; F236-F312 HydrophobicContact CZ-CD1 4.11Å; F236-F312 AromaticContact CZ-CE1 3.99Å; F236-F312 HydrophobicContact CZ-CE1 3.99Å; L239-F312 HydrophobicContact CD1-CB 3.57Å; L239-F312 HydrophobicContact CD1-CD1 3.8Å; L239-F312 HydrophobicContact CD1-CD2 4.32Å; L239-F312 HydrophobicContact CD1-CG 3.65Å; R243-F312 VanDerWaalsContact CZ-O 3.25Å; R243-F312 PolarHBondContact NH1-O 2.88Å; R243-F312 PolarHBondContact NH2-O 3.32Å; L251-F312 HydrophobicContact CD1-CB 4.41Å; L251-F312 HydrophobicContact CD2-CD2 4.44Å; V308-F312 HydrophobicContact CG1-CD2 4.4Å; V308-F312 WeakPolarHBondContact O-CB 3.28Å; V308-F312 PolarHBondContact O-N 3.46Å |
| 313 | G | 98.1 | Very high | 97.5 | Very high | 29 Ų | 29 | 25.7 Ų | 25.7 | 30% | 0.299 | 14% | 0.139 | S | C | . | . | trans | 62.9 | -162.9 | -161.8 | 0 | 0 | 0 | 0 | 0 | 111 | L251 V309 | L251-G313 WeakPolarHBondContact CD1-O 3.43Å; V309-G313 WeakPolarHBondContact O-CA 3.36Å; V309-G313 PolarHBondContact O-N 2.85Å | ||
| 314 | T | 98.1 | Very high | 97.3 | Very high | 22 Ų | 22 | 22.5 Ų | 22.5 | 14% | 0.135 | 12% | 0.122 | C | C | . | . | trans | -148.6 | 155.8 | 178.3 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | K33 V309 H316 Y318 | K33-T314 PolarHBondContact NZ-O 2.88Å; V309-T314 HydrophobicContact CG1-CG2 4.44Å; T314-H316 PolarHBondContact OG1-N 2.87Å; T314-Y318 VanDerWaalsContact CB-OH 3.3Å; T314-Y318 WeakPolarHBondContact CB-OH 3.46Å; T314-Y318 VanDerWaalsContact OG1-CZ 3.23Å; T314-Y318 PolarHBondContact OG1-OH 3.43Å | ||
| 315 | D | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | trans | -119.2 | 18.6 | 168.3 | -57.2 | -81.3 | 0 | 0 | 0 | 111.6 | R243 I248 I317 | R243-D315 IonicContact CZ-OD2 3.3Å; R243-D315 IonicContact NE-OD1 2.73Å; R243-D315 IonicContact NE-OD2 3.57Å; R243-D315 PolarHBondContact NE-OD2 3.05Å; R243-D315 IonicContact NH2-OD2 3.51Å; R243-D315 PolarHBondContact NH2-OD2 2.89Å; I248-D315 HydrophobicContact CG2-CB 3.88Å; D315-I317 VanDerWaalsContact C-N 3.26Å; D315-I317 PolarHBondContact O-N 2.7Å | ||
| 316 | H | 98.7 | Very high | 97 | Very high | 32 Ų | 32 | 26.6 Ų | 26.6 | 15% | 0.148 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 69.2 | 6.9 | 172.5 | -50.3 | -69.3 | 0 | 0 | 0 | 116.4 | I30 K33 T314 D351 A354 I355 | I30-H316 HydrophobicContact CD1-CB 3.75Å; K33-H316 PolarHBondContact NZ-NE2 3.06Å; T314-H316 PolarHBondContact OG1-N 2.87Å; H316-D351 WeakPolarHBondContact CA-OD2 3.43Å; H316-D351 IonicContact CE1-OD1 2.76Å; H316-D351 IonicContact CE1-OD2 2.72Å; H316-D351 IonicContact CG-OD2 2.68Å; H316-D351 VanDerWaalsContact ND1-CG 3.3Å; H316-D351 IonicContact ND1-OD1 3.96Å; H316-D351 PolarHBondContact ND1-OD1 3.15Å; H316-D351 IonicContact ND1-OD2 3.17Å; H316-D351 PolarHBondContact ND1-OD2 2.98Å; H316-A354 CarbonylContact O-C 3.59Å; H316-A354 WeakPolarHBondContact O-CA 3.45Å; H316-I355 PolarHBondContact O-N 3.07Å |
| 317 | I | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.5 | 175 | -52 | -170.2 | 0 | 0 | 0 | 109.7 | I30 L173 I248 V250 L251 D315 I355 L357 | I30-I317 HydrophobicContact CD1-CD1 4.23Å; I30-I317 HydrophobicContact CD1-CG1 3.92Å; I30-I317 HydrophobicContact CG1-CD1 4.32Å; I30-I317 HydrophobicContact CG2-CD1 3.83Å; L173-I317 HydrophobicContact CD1-CD1 3.56Å; I248-I317 HydrophobicContact CG2-CD1 3.97Å; I248-I317 HydrophobicContact CG2-CG1 4.23Å; V250-I317 HydrophobicContact CG1-CG2 4.05Å; V250-I317 HydrophobicContact CG2-CB 4.38Å; V250-I317 HydrophobicContact CG2-CG2 3.95Å; L251-I317 PolarHBondContact N-O 2.62Å; L251-I317 VanDerWaalsContact N-O 3.14Å; D315-I317 VanDerWaalsContact C-N 3.26Å; D315-I317 PolarHBondContact O-N 2.7Å; I317-I355 WeakPolarHBondContact CA-O 3.31Å; I317-I355 HydrophobicContact CG1-CB 4.2Å; I317-L357 HydrophobicContact CG2-CB 3.88Å |
| 318 | Y | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.2 | -178.6 | -49.2 | -81.8 | 0 | 0 | 0 | 111.3 | L251 L305 T314 D351 A354 I355 W356 L357 | L251-Y318 HydrophobicContact CB-CD1 3.97Å; L251-Y318 HydrophobicContact CB-CE1 4.33Å; L251-Y318 CarbonylContact O-C 3.58Å; L251-Y318 WeakPolarHBondContact O-CA 3.41Å; L305-Y318 HydrophobicContact CD1-CD1 3.57Å; L305-Y318 HydrophobicContact CD1-CE1 3.53Å; L305-Y318 HydrophobicContact CD1-CG 4.25Å; L305-Y318 HydrophobicContact CD2-CE1 4.45Å; L305-Y318 HydrophobicContact CD2-CE2 4.45Å; L305-Y318 HydrophobicContact CG-CE1 4.37Å; T314-Y318 VanDerWaalsContact CB-OH 3.3Å; T314-Y318 WeakPolarHBondContact CB-OH 3.46Å; T314-Y318 VanDerWaalsContact OG1-CZ 3.23Å; T314-Y318 PolarHBondContact OG1-OH 3.43Å; Y318-D351 HydrophobicContact CE2-CB 4.07Å; Y318-D351 WeakPolarHBondContact CE2-OD2 3.04Å; Y318-D351 WeakPolarHBondContact OH-CB 3.48Å; Y318-D351 PolarHBondContact OH-OD2 3.4Å; Y318-A354 HydrophobicContact CD2-CB 3.86Å; Y318-A354 HydrophobicContact CE2-CB 3.67Å; Y318-I355 PolarHBondContact N-O 3.07Å; Y318-W356 CarbonylContact O-C 3.42Å; Y318-W356 WeakPolarHBondContact O-CA 3.24Å; Y318-L357 PolarHBondContact O-N 3.12Å |
| 319 | N | 98.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.3 | 174.9 | 170.9 | -104.7 | 0 | 0 | 0 | 111.3 | L175 F177 V250 L251 P252 A253 D321 L357 | L175-N319 HydrophobicContact CD1-CB 4.1Å; F177-N319 HydrophobicContact CE1-CB 4.23Å; F177-N319 HydrophobicContact CZ-CB 3.98Å; F177-N319 WeakPolarHBondContact CZ-OD1 3.3Å; V250-N319 HydrophobicContact CG1-CB 3.59Å; L251-N319 PolarHBondContact O-N 2.83Å; P252-N319 CarbonylContact C-O 3.54Å; P252-N319 WeakPolarHBondContact CA-O 3.41Å; A253-N319 PolarHBondContact N-O 3.18Å; N319-D321 PolarHBondContact ND2-OD2 2.83Å; N319-D321 PolarHBondContact OD1-OD2 2.88Å; N319-L357 VanDerWaalsContact CA-O 3.29Å; N319-L357 WeakPolarHBondContact CA-O 3.48Å; N319-L357 HydrophobicContact CB-CB 4.27Å; N319-L357 PolarHBondContact ND2-O 3.29Å |
| 320 | T | 96.4 | Very high | 96.3 | Very high | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | trans | -164.5 | 148.7 | 170.6 | -159.8 | 0 | 0 | 0 | 0 | 108.9 | A253 S255 V343 M347 W356 | A253-T320 HydrophobicContact CB-CG2 4.18Å; A253-T320 VanDerWaalsContact O-CB 3.26Å; A253-T320 WeakPolarHBondContact O-CB 3.42Å; A253-T320 PolarHBondContact O-OG1 2.84Å; S255-T320 WeakPolarHBondContact CA-OG1 3.34Å; S255-T320 WeakPolarHBondContact CB-OG1 3.45Å; S255-T320 PolarHBondContact N-OG1 3.49Å; T320-V343 HydrophobicContact CG2-CG1 3.52Å; T320-M347 HydrophobicContact CG2-CE 3.71Å; T320-W356 PolarHBondContact O-NE1 2.94Å | ||
| 321 | D | 94.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | trans | -140.7 | 115 | -173.1 | -62.7 | -77.8 | 0 | 0 | 0 | 109.1 | N319 N324 Q359 | N319-D321 PolarHBondContact ND2-OD2 2.83Å; N319-D321 PolarHBondContact OD1-OD2 2.88Å; D321-N324 HydrophobicContact CB-CB 4.47Å; D321-Q359 WeakPolarHBondContact OD1-CB 3.4Å; D321-Q359 PolarHBondContact OD1-N 3.08Å; D321-Q359 PolarHBondContact OD2-OE1 3.05Å | ||
| 322 | T | 88.5 | Confident | 96.3 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 7% | 0.074 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -81.6 | -35.2 | -172.2 | -53 | 0 | 0 | 0 | 0 | 114 | S255 I289 M326 V339 | S255-T322 WeakPolarHBondContact O-CB 3.32Å; S255-T322 WeakPolarHBondContact O-CG2 3.32Å; S255-T322 PolarHBondContact O-OG1 3.27Å; I289-T322 HydrophobicContact CG2-CG2 4.38Å; T322-M326 WeakPolarHBondContact O-CE 3.46Å; T322-V339 HydrophobicContact CG2-CG1 4.27Å |
| 323 | F | 93.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | trans | -130.6 | 36.8 | -169.3 | -58.8 | -62.6 | 0 | 0 | 0 | 112.8 | I289 E325 M326 P328 Y335 V339 | I289-F323 HydrophobicContact CG2-CE1 4.4Å; F323-E325 PolarHBondContact O-N 3.18Å; F323-E325 VanDerWaalsContact O-N 3.14Å; F323-M326 PolarHBondContact O-N 3.18Å; F323-P328 HydrophobicContact CB-CG 4.05Å; F323-P328 HydrophobicContact CD1-CB 4.22Å; F323-P328 HydrophobicContact CD1-CG 4.11Å; F323-P328 HydrophobicContact CD2-CB 4Å; F323-P328 HydrophobicContact CD2-CG 3.62Å; F323-P328 HydrophobicContact CE1-CB 4.1Å; F323-P328 HydrophobicContact CE1-CG 4.47Å; F323-P328 HydrophobicContact CE2-CB 3.84Å; F323-P328 HydrophobicContact CE2-CG 3.99Å; F323-P328 HydrophobicContact CG-CB 4.18Å; F323-P328 HydrophobicContact CG-CG 3.67Å; F323-P328 HydrophobicContact CZ-CB 3.9Å; F323-P328 HydrophobicContact CZ-CG 4.41Å; F323-Y335 HydrophobicContact CZ-CE1 4.35Å; F323-V339 HydrophobicContact CE2-CB 4.49Å; F323-V339 HydrophobicContact CE2-CG1 3.9Å; F323-V339 HydrophobicContact CE2-CG2 3.94Å; F323-V339 HydrophobicContact CZ-CG2 4.38Å | ||
| 324 | N | 94.9 | Very high | 96.3 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 115.8 | 174.3 | -170.3 | 80.3 | 0 | 0 | 0 | 109.6 | M213 N215 D321 M326 W361 | M213-N324 HydrophobicContact CB-CB 4.36Å; M213-N324 HydrophobicContact CG-CB 4.37Å; M213-N324 HydrophobicContact SD-CB 3.96Å; M213-N324 VanDerWaalsContact SD-CG 3.59Å; M213-N324 PolarHBondContact SD-ND2 3.25Å; N215-N324 PolarHBondContact ND2-O 2.66Å; D321-N324 HydrophobicContact CB-CB 4.47Å; N324-M326 PolarHBondContact O-N 2.92Å; N324-M326 VanDerWaalsContact O-N 3.08Å; N324-W361 VanDerWaalsContact OD1-CD1 3.31Å |
| 325 | E | 95.3 | Very high | 96.3 | Very high | 72 Ų | 72 | 31.9 Ų | 31.9 | 34% | 0.336 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 23.2 | -175.2 | -59.6 | -172.3 | 176.2 | 0 | 0 | 115.3 | W277 F323 W361 | W277-E325 PolarHBondContact NE1-OE2 3.1Å; F323-E325 PolarHBondContact O-N 3.18Å; F323-E325 VanDerWaalsContact O-N 3.14Å; E325-W361 PolarHBondContact OE1-NE1 2.66Å |
| 326 | M | 94.8 | Very high | 96.3 | Very high | 16 Ų | 16 | 31.5 Ų | 31.5 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -123.7 | 145.7 | 175.4 | -66.2 | -177.7 | -65.4 | 0 | 0 | 109.5 | M213 A214 L274 T322 F323 N324 P328 | M213-M326 WeakPolarHBondContact O-CE 3.48Å; A214-M326 HydrophobicContact CB-CE 3.99Å; L274-M326 HydrophobicContact CD1-CB 4.1Å; L274-M326 HydrophobicContact CD1-CE 4.31Å; L274-M326 HydrophobicContact CD1-CG 4.41Å; L274-M326 HydrophobicContact CD1-SD 3.63Å; T322-M326 WeakPolarHBondContact O-CE 3.46Å; F323-M326 PolarHBondContact O-N 3.18Å; N324-M326 PolarHBondContact O-N 2.92Å; N324-M326 VanDerWaalsContact O-N 3.08Å; M326-P328 WeakPolarHBondContact O-CD 3.49Å |
| 327 | T | 94.7 | Very high | 96.2 | Very high | 82 Ų | 82 | 32 Ų | 32 | 50% | 0.503 | 19% | 0.193 | S | C | . | . | trans | -86.6 | 122.1 | 177.4 | -59.4 | 0 | 0 | 0 | 0 | 109 | N366 F369 | T327-N366 PolarHBondContact OG1-ND2 3.26Å; T327-F369 HydrophobicContact CG2-CD2 3.68Å; T327-F369 HydrophobicContact CG2-CE2 4Å; T327-F369 HydrophobicContact CG2-CG 4.45Å | ||
| 328 | P | 95.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | trans | -57.9 | 149.6 | 173.3 | -21 | 31.1 | 0 | 0 | 0 | 111.3 | F323 M326 S330 Y335 L336 F369 W370 | F323-P328 HydrophobicContact CB-CG 4.05Å; F323-P328 HydrophobicContact CD1-CB 4.22Å; F323-P328 HydrophobicContact CD1-CG 4.11Å; F323-P328 HydrophobicContact CD2-CB 4Å; F323-P328 HydrophobicContact CD2-CG 3.62Å; F323-P328 HydrophobicContact CE1-CB 4.1Å; F323-P328 HydrophobicContact CE1-CG 4.47Å; F323-P328 HydrophobicContact CE2-CB 3.84Å; F323-P328 HydrophobicContact CE2-CG 3.99Å; F323-P328 HydrophobicContact CG-CB 4.18Å; F323-P328 HydrophobicContact CG-CG 3.67Å; F323-P328 HydrophobicContact CZ-CB 3.9Å; F323-P328 HydrophobicContact CZ-CG 4.41Å; M326-P328 WeakPolarHBondContact O-CD 3.49Å; P328-S330 PolarHBondContact O-N 3.15Å; P328-S330 VanDerWaalsContact O-N 3.14Å; P328-Y335 HydrophobicContact CB-CE1 4.22Å; P328-L336 HydrophobicContact CB-CD2 3.97Å; P328-L336 HydrophobicContact CG-CD2 4.08Å; P328-F369 HydrophobicContact CB-CE1 4.15Å; P328-F369 HydrophobicContact CB-CE2 4.27Å; P328-F369 HydrophobicContact CB-CZ 3.61Å; P328-F369 VanDerWaalsContact CD-CZ 3.48Å; P328-F369 HydrophobicContact CG-CD1 4.25Å; P328-F369 HydrophobicContact CG-CE1 3.45Å; P328-F369 VanDerWaalsContact CG-CE1 3.45Å; P328-F369 HydrophobicContact CG-CE2 4.21Å; P328-F369 HydrophobicContact CG-CZ 3.42Å; P328-F369 VanDerWaalsContact CG-CZ 3.42Å; P328-W370 HydrophobicContact CG-CH2 4.08Å; P328-W370 HydrophobicContact CG-CZ2 3.58Å | ||
| 329 | P | 94.1 | Very high | 96.2 | Very high | 60 Ų | 60 | 33 Ų | 33 | 39% | 0.39 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -69.5 | -12.6 | -176.4 | 29.6 | -37 | 0 | 0 | 0 | 113.9 | T272 Y335 | T272-P329 HydrophobicContact CG2-CB 3.94Å; T272-P329 HydrophobicContact CG2-CG 4.49Å; P329-Y335 VanDerWaalsContact CD-OH 3.3Å; P329-Y335 WeakPolarHBondContact CD-OH 3.3Å; P329-Y335 HydrophobicContact CG-CE1 3.91Å; P329-Y335 HydrophobicContact CG-CE2 4.26Å; P329-Y335 WeakPolarHBondContact CG-OH 3.36Å |
| 330 | S | 96.1 | Very high | 96.1 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | trans | -144.6 | 138.4 | 174.5 | -179 | 0 | 0 | 0 | 0 | 110.9 | P328 D332 Y335 F369 | P328-S330 PolarHBondContact O-N 3.15Å; P328-S330 VanDerWaalsContact O-N 3.14Å; S330-D332 VanDerWaalsContact C-N 3.31Å; S330-D332 VanDerWaalsContact OG-CB 3.23Å; S330-D332 WeakPolarHBondContact OG-CB 3.31Å; S330-D332 PolarHBondContact OG-N 3.02Å; S330-D332 VanDerWaalsContact OG-N 3.14Å; S330-Y335 WeakPolarHBondContact O-CD1 3.35Å; S330-F369 WeakPolarHBondContact O-CZ 3.34Å | ||
| 331 | S | 97.3 | Very high | 96.2 | Very high | 65 Ų | 65 | 37.6 Ų | 37.6 | 46% | 0.455 | 22% | 0.222 | S | C | . | . | trans | -90.1 | 5.3 | 170.9 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | P333 Q374 | S331-P333 WeakPolarHBondContact O-CD 3.35Å; S331-Q374 PolarHBondContact O-NE2 3.02Å | ||
| 332 | D | 98.1 | Very high | 96.4 | Very high | 78 Ų | 78 | 38.2 Ų | 38.2 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | trans | -63.2 | 120.3 | 174.6 | -179.7 | -2.2 | 0 | 0 | 0 | 110.3 | S330 T334 Y335 L336 | S330-D332 VanDerWaalsContact C-N 3.31Å; S330-D332 VanDerWaalsContact OG-CB 3.23Å; S330-D332 WeakPolarHBondContact OG-CB 3.31Å; S330-D332 PolarHBondContact OG-N 3.02Å; S330-D332 VanDerWaalsContact OG-N 3.14Å; D332-T334 PolarHBondContact O-N 3.35Å; D332-T334 VanDerWaalsContact O-N 3.15Å; D332-T334 PolarHBondContact OD1-N 2.88Å; D332-Y335 WeakPolarHBondContact O-CB 3.45Å; D332-Y335 PolarHBondContact O-N 2.87Å; D332-L336 PolarHBondContact O-N 3.28Å; D332-L336 VanDerWaalsContact O-N 3.11Å | ||
| 333 | P | 98.4 | Very high | 96.9 | Very high | 51 Ų | 51 | 37.6 Ų | 37.6 | 33% | 0.331 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -48.3 | -37.6 | 173.3 | -32.3 | 39.8 | 0 | 0 | 0 | 114.3 | S331 Y335 L336 S337 P373 A377 | S331-P333 WeakPolarHBondContact O-CD 3.35Å; P333-Y335 VanDerWaalsContact C-N 3.33Å; P333-Y335 PolarHBondContact O-N 2.94Å; P333-L336 PolarHBondContact O-N 3.36Å; P333-S337 WeakPolarHBondContact O-CB 3.48Å; P333-S337 PolarHBondContact O-N 3.07Å; P333-P373 HydrophobicContact CG-CB 4.39Å; P333-A377 HydrophobicContact CB-CB 3.72Å; P333-A377 WeakPolarHBondContact O-CB 3.45Å |
| 334 | T | 98.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 38 Ų | 38 | 63% | 0.626 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.4 | -37.9 | 178.5 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | D332 A338 | D332-T334 PolarHBondContact O-N 3.35Å; D332-T334 VanDerWaalsContact O-N 3.15Å; D332-T334 PolarHBondContact OD1-N 2.88Å; T334-A338 WeakPolarHBondContact O-CB 3.44Å; T334-A338 PolarHBondContact O-N 3.31Å; T334-A338 VanDerWaalsContact O-N 3.12Å |
| 335 | Y | 97.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -48.2 | 174.6 | 172.1 | -97.7 | 0 | 0 | 0 | 111.4 | P292 F323 P328 P329 S330 D332 P333 S337 A338 V339 | P292-Y335 HydrophobicContact CG-CE2 4.09Å; F323-Y335 HydrophobicContact CZ-CE1 4.35Å; P328-Y335 HydrophobicContact CB-CE1 4.22Å; P329-Y335 VanDerWaalsContact CD-OH 3.3Å; P329-Y335 WeakPolarHBondContact CD-OH 3.3Å; P329-Y335 HydrophobicContact CG-CE1 3.91Å; P329-Y335 HydrophobicContact CG-CE2 4.26Å; P329-Y335 WeakPolarHBondContact CG-OH 3.36Å; S330-Y335 WeakPolarHBondContact O-CD1 3.35Å; D332-Y335 WeakPolarHBondContact O-CB 3.45Å; D332-Y335 PolarHBondContact O-N 2.87Å; P333-Y335 VanDerWaalsContact C-N 3.33Å; P333-Y335 PolarHBondContact O-N 2.94Å; Y335-S337 VanDerWaalsContact C-N 3.34Å; Y335-S337 PolarHBondContact O-N 2.76Å; Y335-A338 WeakPolarHBondContact O-CB 3.38Å; Y335-A338 PolarHBondContact O-N 2.78Å; Y335-A338 VanDerWaalsContact O-N 3.1Å; Y335-V339 HydrophobicContact CD1-CG2 4.28Å; Y335-V339 HydrophobicContact CE1-CG2 3.77Å; Y335-V339 HydrophobicContact CE2-CG2 4.38Å; Y335-V339 WeakPolarHBondContact O-CG2 3.32Å; Y335-V339 PolarHBondContact O-N 2.85Å |
| 336 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.5 | -36.5 | -177.6 | -63.3 | 174.7 | 0 | 0 | 0 | 112.6 | P328 D332 P333 V339 S340 F369 W370 Q374 A377 | P328-L336 HydrophobicContact CB-CD2 3.97Å; P328-L336 HydrophobicContact CG-CD2 4.08Å; D332-L336 PolarHBondContact O-N 3.28Å; D332-L336 VanDerWaalsContact O-N 3.11Å; P333-L336 PolarHBondContact O-N 3.36Å; L336-V339 WeakPolarHBondContact O-CB 3.24Å; L336-V339 PolarHBondContact O-N 2.92Å; L336-S340 PolarHBondContact O-N 3.04Å; L336-S340 PolarHBondContact O-OG 3.41Å; L336-F369 HydrophobicContact CD1-CE1 4.21Å; L336-F369 HydrophobicContact CD1-CZ 4.44Å; L336-F369 HydrophobicContact CD2-CE1 4.32Å; L336-F369 HydrophobicContact CD2-CZ 4.31Å; L336-W370 HydrophobicContact CD1-CH2 4.38Å; L336-W370 HydrophobicContact CD1-CZ3 3.92Å; L336-W370 HydrophobicContact CD2-CH2 3.83Å; L336-W370 HydrophobicContact CD2-CZ3 4.2Å; L336-Q374 HydrophobicContact CD1-CB 3.52Å; L336-Q374 HydrophobicContact CD1-CG 3.55Å; L336-A377 HydrophobicContact CB-CB 4.3Å |
| 337 | S | 98.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 172.2 | -172.2 | 0 | 0 | 0 | 0 | 112 | P333 Y335 V339 S340 H341 A377 | P333-S337 WeakPolarHBondContact O-CB 3.48Å; P333-S337 PolarHBondContact O-N 3.07Å; Y335-S337 VanDerWaalsContact C-N 3.34Å; Y335-S337 PolarHBondContact O-N 2.76Å; S337-V339 VanDerWaalsContact C-N 3.33Å; S337-V339 PolarHBondContact O-N 3.37Å; S337-S340 PolarHBondContact O-OG 3.32Å; S337-H341 WeakPolarHBondContact O-CB 3.3Å; S337-H341 PolarHBondContact O-N 2.69Å; S337-A377 VanDerWaalsContact CA-O 3.29Å; S337-A377 WeakPolarHBondContact CA-O 3.31Å; S337-A377 WeakPolarHBondContact CB-O 3.44Å |
| 338 | A | 98.1 | Very high | 97.8 | Very high | 18 Ų | 18 | 32.9 Ų | 32.9 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.8 | -36.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P292 R293 T334 Y335 H341 S342 | P292-A338 HydrophobicContact CG-CB 4.23Å; R293-A338 HydrophobicContact CG-CB 4.19Å; T334-A338 WeakPolarHBondContact O-CB 3.44Å; T334-A338 PolarHBondContact O-N 3.31Å; T334-A338 VanDerWaalsContact O-N 3.12Å; Y335-A338 WeakPolarHBondContact O-CB 3.38Å; Y335-A338 PolarHBondContact O-N 2.78Å; Y335-A338 VanDerWaalsContact O-N 3.1Å; A338-H341 PolarHBondContact O-N 2.98Å; A338-S342 WeakPolarHBondContact O-CB 3.32Å; A338-S342 PolarHBondContact O-N 3.18Å; A338-S342 PolarHBondContact O-OG 3.18Å |
| 339 | V | 97.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.6 | -57.4 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | P292 T322 F323 Y335 L336 S337 H341 S342 V343 L378 | P292-V339 HydrophobicContact CB-CG2 4.36Å; P292-V339 HydrophobicContact CG-CB 4.47Å; P292-V339 HydrophobicContact CG-CG2 3.78Å; T322-V339 HydrophobicContact CG2-CG1 4.27Å; F323-V339 HydrophobicContact CE2-CB 4.49Å; F323-V339 HydrophobicContact CE2-CG1 3.9Å; F323-V339 HydrophobicContact CE2-CG2 3.94Å; F323-V339 HydrophobicContact CZ-CG2 4.38Å; Y335-V339 HydrophobicContact CD1-CG2 4.28Å; Y335-V339 HydrophobicContact CE1-CG2 3.77Å; Y335-V339 HydrophobicContact CE2-CG2 4.38Å; Y335-V339 WeakPolarHBondContact O-CG2 3.32Å; Y335-V339 PolarHBondContact O-N 2.85Å; L336-V339 WeakPolarHBondContact O-CB 3.24Å; L336-V339 PolarHBondContact O-N 2.92Å; S337-V339 VanDerWaalsContact C-N 3.33Å; S337-V339 PolarHBondContact O-N 3.37Å; V339-H341 VanDerWaalsContact C-N 3.34Å; V339-H341 PolarHBondContact O-N 2.91Å; V339-S342 PolarHBondContact O-N 3.02Å; V339-V343 WeakPolarHBondContact O-CG2 3.07Å; V339-V343 PolarHBondContact O-N 2.93Å; V339-L378 HydrophobicContact CG1-CD1 4.48Å |
| 340 | S | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.3 | -35.6 | -176.8 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | L336 S337 F344 L378 G381 | L336-S340 PolarHBondContact O-N 3.04Å; L336-S340 PolarHBondContact O-OG 3.41Å; S337-S340 PolarHBondContact O-OG 3.32Å; S340-F344 VanDerWaalsContact O-CB 3.3Å; S340-F344 WeakPolarHBondContact O-CB 3.35Å; S340-F344 PolarHBondContact O-N 3.11Å; S340-L378 WeakPolarHBondContact CB-O 3.46Å; S340-L378 PolarHBondContact OG-O 3.17Å; S340-G381 WeakPolarHBondContact OG-CA 3.11Å |
| 341 | H | 98.3 | Very high | 98.3 | Very high | 107 Ų | 107 | 33.1 Ų | 33.1 | 50% | 0.495 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.8 | -49.3 | 172.9 | -178.5 | 76.3 | 0 | 0 | 0 | 112.2 | S337 A338 V339 F344 A345 G381 | S337-H341 WeakPolarHBondContact O-CB 3.3Å; S337-H341 PolarHBondContact O-N 2.69Å; A338-H341 PolarHBondContact O-N 2.98Å; V339-H341 VanDerWaalsContact C-N 3.34Å; V339-H341 PolarHBondContact O-N 2.91Å; H341-F344 PolarHBondContact O-N 2.86Å; H341-A345 WeakPolarHBondContact O-CB 3.34Å; H341-A345 PolarHBondContact O-N 3.2Å; H341-G381 WeakPolarHBondContact CA-O 3.42Å |
| 342 | S | 98.3 | Very high | 98.3 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.4 | -38.1 | -176.4 | -67.4 | 0 | 0 | 0 | 0 | 113.1 | P292 A338 V339 F344 A345 S346 | P292-S342 VanDerWaalsContact O-CB 3.23Å; P292-S342 WeakPolarHBondContact O-CB 3.44Å; P292-S342 PolarHBondContact O-OG 3.04Å; A338-S342 WeakPolarHBondContact O-CB 3.32Å; A338-S342 PolarHBondContact O-N 3.18Å; A338-S342 PolarHBondContact O-OG 3.18Å; V339-S342 PolarHBondContact O-N 3.02Å; S342-F344 VanDerWaalsContact C-N 3.35Å; S342-A345 PolarHBondContact O-N 3.44Å; S342-S346 PolarHBondContact O-N 3.21Å |
| 343 | V | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.8 | -53 | 170.1 | 169.9 | 0 | 0 | 0 | 0 | 109.6 | F297 T320 V339 A345 S346 M347 W356 | F297-V343 HydrophobicContact CE1-CG2 4.11Å; F297-V343 HydrophobicContact CZ-CG2 3.71Å; T320-V343 HydrophobicContact CG2-CG1 3.52Å; V339-V343 WeakPolarHBondContact O-CG2 3.07Å; V339-V343 PolarHBondContact O-N 2.93Å; V343-A345 PolarHBondContact O-N 3.44Å; V343-S346 PolarHBondContact O-N 2.8Å; V343-S346 PolarHBondContact O-OG 2.68Å; V343-M347 HydrophobicContact CG1-CE 3.72Å; V343-M347 PolarHBondContact O-N 3.33Å; V343-W356 HydrophobicContact CB-CH2 4.17Å; V343-W356 HydrophobicContact CB-CZ3 4.14Å; V343-W356 HydrophobicContact CG1-CD2 4.17Å; V343-W356 HydrophobicContact CG1-CE3 4.1Å; V343-W356 HydrophobicContact CG1-CH2 3.98Å; V343-W356 HydrophobicContact CG1-CZ2 4Å; V343-W356 HydrophobicContact CG1-CZ3 4.01Å |
| 344 | F | 98.6 | Very high | 98.3 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.7 | -34.6 | -178 | -173.7 | -110.6 | 0 | 0 | 0 | 113.7 | S340 H341 S342 S346 M347 T348 A354 W356 V382 P383 R386 | S340-F344 VanDerWaalsContact O-CB 3.3Å; S340-F344 WeakPolarHBondContact O-CB 3.35Å; S340-F344 PolarHBondContact O-N 3.11Å; H341-F344 PolarHBondContact O-N 2.86Å; S342-F344 VanDerWaalsContact C-N 3.35Å; F344-S346 VanDerWaalsContact C-N 3.32Å; F344-S346 PolarHBondContact O-N 2.93Å; F344-M347 HydrophobicContact CD2-SD 4.35Å; F344-M347 WeakPolarHBondContact O-CB 3.46Å; F344-M347 PolarHBondContact O-N 3.36Å; F344-T348 HydrophobicContact CD1-CG2 4.22Å; F344-T348 HydrophobicContact CD2-CG2 4.43Å; F344-T348 HydrophobicContact CE1-CG2 3.66Å; F344-T348 HydrophobicContact CE2-CG2 3.9Å; F344-T348 HydrophobicContact CZ-CG2 3.48Å; F344-T348 VanDerWaalsContact CZ-CG2 3.48Å; F344-T348 PolarHBondContact O-N 3.3Å; F344-T348 PolarHBondContact O-OG1 3.43Å; F344-A354 WeakPolarHBondContact CE2-O 3.32Å; F344-W356 HydrophobicContact CB-CE3 4.36Å; F344-W356 HydrophobicContact CD2-CB 4.29Å; F344-V382 HydrophobicContact CB-CG1 4.41Å; F344-V382 HydrophobicContact CB-CG2 3.75Å; F344-V382 HydrophobicContact CD1-CG1 3.93Å; F344-V382 HydrophobicContact CD2-CG1 3.85Å; F344-V382 HydrophobicContact CE1-CG1 4.14Å; F344-V382 HydrophobicContact CE2-CG1 4.06Å; F344-V382 HydrophobicContact CG-CB 4.5Å; F344-V382 HydrophobicContact CG-CG1 3.79Å; F344-V382 HydrophobicContact CG-CG2 4.05Å; F344-V382 HydrophobicContact CZ-CG1 4.2Å; F344-P383 HydrophobicContact CE1-CG 4.28Å; F344-R386 HydrophobicContact CE1-CB 4.36Å; F344-R386 HydrophobicContact CE2-CB 3.99Å; F344-R386 HydrophobicContact CZ-CB 3.6Å; F344-R386 HydrophobicContact CZ-CG 4.16Å |
| 345 | A | 98.6 | Very high | 98.4 | Very high | 26 Ų | 26 | 27.2 Ų | 27.2 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | H341 S342 V343 M347 T348 A349 | H341-A345 WeakPolarHBondContact O-CB 3.34Å; H341-A345 PolarHBondContact O-N 3.2Å; S342-A345 PolarHBondContact O-N 3.44Å; V343-A345 PolarHBondContact O-N 3.44Å; A345-M347 VanDerWaalsContact C-N 3.27Å; A345-M347 PolarHBondContact O-N 3.44Å; A345-T348 WeakPolarHBondContact CA-OG1 3.21Å; A345-T348 PolarHBondContact O-N 3.44Å; A345-T348 PolarHBondContact O-OG1 3.36Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 3.17Å |
| 346 | S | 98.3 | Very high | 98.4 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -34.2 | 175.6 | 80.9 | 0 | 0 | 0 | 0 | 112.9 | S342 V343 F344 | S342-S346 PolarHBondContact O-N 3.21Å; V343-S346 PolarHBondContact O-N 2.8Å; V343-S346 PolarHBondContact O-OG 2.68Å; F344-S346 VanDerWaalsContact C-N 3.32Å; F344-S346 PolarHBondContact O-N 2.93Å |
| 347 | M | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.4 | -50.7 | 174.5 | -63.9 | 171.5 | -179.2 | 0 | 0 | 112.1 | A253 L305 T320 V343 F344 A345 A349 V350 D351 A354 W356 | A253-M347 HydrophobicContact CB-CE 3.46Å; A253-M347 VanDerWaalsContact CB-CE 3.46Å; A253-M347 HydrophobicContact CB-CG 4.22Å; L305-M347 VanDerWaalsContact CD2-CA 3.48Å; L305-M347 HydrophobicContact CD2-CB 4.07Å; L305-M347 HydrophobicContact CD2-CG 4.28Å; T320-M347 HydrophobicContact CG2-CE 3.71Å; V343-M347 HydrophobicContact CG1-CE 3.72Å; V343-M347 PolarHBondContact O-N 3.33Å; F344-M347 HydrophobicContact CD2-SD 4.35Å; F344-M347 WeakPolarHBondContact O-CB 3.46Å; F344-M347 PolarHBondContact O-N 3.36Å; A345-M347 VanDerWaalsContact C-N 3.27Å; A345-M347 PolarHBondContact O-N 3.44Å; M347-A349 VanDerWaalsContact C-N 3.28Å; M347-A349 PolarHBondContact O-N 3.25Å; M347-V350 PolarHBondContact O-N 3.32Å; M347-V350 VanDerWaalsContact O-N 3.13Å; M347-D351 PolarHBondContact O-N 3.49Å; M347-A354 HydrophobicContact CB-CB 3.92Å; M347-W356 HydrophobicContact CE-CB 4.13Å; M347-W356 HydrophobicContact CE-CD2 4.25Å; M347-W356 HydrophobicContact CE-CG 3.78Å; M347-W356 HydrophobicContact SD-CB 3.84Å; M347-W356 HydrophobicContact SD-CG 4.13Å |
| 348 | T | 98.6 | Very high | 98.4 | Very high | 41 Ų | 41 | 25 Ų | 25 | 25% | 0.252 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -73.3 | -18.4 | -174.9 | 50.3 | 0 | 0 | 0 | 0 | 114 | F344 A345 V350 D351 A354 | F344-T348 HydrophobicContact CD1-CG2 4.22Å; F344-T348 HydrophobicContact CD2-CG2 4.43Å; F344-T348 HydrophobicContact CE1-CG2 3.66Å; F344-T348 HydrophobicContact CE2-CG2 3.9Å; F344-T348 HydrophobicContact CZ-CG2 3.48Å; F344-T348 VanDerWaalsContact CZ-CG2 3.48Å; F344-T348 PolarHBondContact O-N 3.3Å; F344-T348 PolarHBondContact O-OG1 3.43Å; A345-T348 WeakPolarHBondContact CA-OG1 3.21Å; A345-T348 PolarHBondContact O-N 3.44Å; A345-T348 PolarHBondContact O-OG1 3.36Å; T348-V350 PolarHBondContact O-N 2.93Å; T348-D351 WeakPolarHBondContact CA-O 3.36Å; T348-A354 HydrophobicContact CG2-CB 4.19Å |
| 349 | A | 98.6 | Very high | 98.4 | Very high | 63 Ų | 63 | 24.3 Ų | 24.3 | 52% | 0.521 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L298 A345 M347 | L298-A349 HydrophobicContact CD1-CB 4.14Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 3.17Å; M347-A349 VanDerWaalsContact C-N 3.28Å; M347-A349 PolarHBondContact O-N 3.25Å |
| 350 | V | 98.8 | Very high | 98.4 | Very high | 41 Ų | 41 | 24.1 Ų | 24.1 | 25% | 0.248 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -42.1 | 177.6 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | T302 L305 S306 V309 M347 T348 | T302-V350 HydrophobicContact CG2-CG2 3.81Å; L305-V350 HydrophobicContact CB-CB 4.44Å; L305-V350 HydrophobicContact CB-CG2 4.11Å; L305-V350 HydrophobicContact CD2-CB 4.06Å; L305-V350 HydrophobicContact CD2-CG2 4.43Å; L305-V350 HydrophobicContact CG-CB 4.26Å; L305-V350 HydrophobicContact CG-CG1 4.38Å; L305-V350 HydrophobicContact CG-CG2 4.47Å; S306-V350 WeakPolarHBondContact OG-CG2 3.2Å; V309-V350 HydrophobicContact CB-CG1 4.41Å; V309-V350 HydrophobicContact CG2-CG1 4.06Å; M347-V350 PolarHBondContact O-N 3.32Å; M347-V350 VanDerWaalsContact O-N 3.13Å; T348-V350 PolarHBondContact O-N 2.93Å |
| 351 | D | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.048 | 15% | 0.151 | C | C | . | . | trans | -128.2 | 96.8 | -178.2 | -178.3 | 1 | 0 | 0 | 0 | 111 | H316 Y318 M347 T348 N353 A354 | H316-D351 WeakPolarHBondContact CA-OD2 3.43Å; H316-D351 IonicContact CE1-OD1 2.76Å; H316-D351 IonicContact CE1-OD2 2.72Å; H316-D351 IonicContact CG-OD2 2.68Å; H316-D351 VanDerWaalsContact ND1-CG 3.3Å; H316-D351 IonicContact ND1-OD1 3.96Å; H316-D351 PolarHBondContact ND1-OD1 3.15Å; H316-D351 IonicContact ND1-OD2 3.17Å; H316-D351 PolarHBondContact ND1-OD2 2.98Å; Y318-D351 HydrophobicContact CE2-CB 4.07Å; Y318-D351 WeakPolarHBondContact CE2-OD2 3.04Å; Y318-D351 WeakPolarHBondContact OH-CB 3.48Å; Y318-D351 PolarHBondContact OH-OD2 3.4Å; M347-D351 PolarHBondContact O-N 3.49Å; T348-D351 WeakPolarHBondContact CA-O 3.36Å; D351-N353 PolarHBondContact O-N 3.22Å; D351-N353 WeakPolarHBondContact OD1-CB 3.34Å; D351-N353 PolarHBondContact OD1-N 3.02Å; D351-A354 HydrophobicContact CB-CB 4.29Å; D351-A354 WeakPolarHBondContact O-CB 3.22Å; D351-A354 PolarHBondContact O-N 3.34Å | ||
| 352 | P | 98.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 20.6 Ų | 20.6 | 60% | 0.597 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.6 | 180 | -27 | 35.6 | 0 | 0 | 0 | 114.6 | R386 | P352-R386 PolarHBondContact O-NH1 3.44Å; P352-R386 PolarHBondContact O-NH2 2.91Å |
| 353 | N | 98.3 | Very high | 98.3 | Very high | 80 Ų | 80 | 19.7 Ų | 19.7 | 43% | 0.428 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 7.7 | 178.9 | -65.1 | -46.1 | 0 | 0 | 0 | 113.3 | H29 D351 | H29-N353 PolarHBondContact NE2-O 3.37Å; D351-N353 PolarHBondContact O-N 3.22Å; D351-N353 WeakPolarHBondContact OD1-CB 3.34Å; D351-N353 PolarHBondContact OD1-N 3.02Å |
| 354 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -54.9 | 137.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | H316 Y318 F344 M347 T348 D351 R386 | H316-A354 CarbonylContact O-C 3.59Å; H316-A354 WeakPolarHBondContact O-CA 3.45Å; Y318-A354 HydrophobicContact CD2-CB 3.86Å; Y318-A354 HydrophobicContact CE2-CB 3.67Å; F344-A354 WeakPolarHBondContact CE2-O 3.32Å; M347-A354 HydrophobicContact CB-CB 3.92Å; T348-A354 HydrophobicContact CG2-CB 4.19Å; D351-A354 HydrophobicContact CB-CB 4.29Å; D351-A354 WeakPolarHBondContact O-CB 3.22Å; D351-A354 PolarHBondContact O-N 3.34Å; A354-R386 VanDerWaalsContact O-CZ 3.28Å; A354-R386 PolarHBondContact O-NE 3.39Å; A354-R386 PolarHBondContact O-NH2 3.32Å | ||
| 355 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.1 | 166.1 | -55.9 | -61.6 | 0 | 0 | 0 | 107.1 | L27 I30 H316 I317 Y318 R386 I388 | L27-I355 HydrophobicContact CD2-CD1 3.81Å; L27-I355 HydrophobicContact CD2-CG1 3.98Å; L27-I355 HydrophobicContact CD2-CG2 4.13Å; I30-I355 HydrophobicContact CD1-CG1 4.13Å; I30-I355 HydrophobicContact CG1-CG1 4.29Å; H316-I355 PolarHBondContact O-N 3.07Å; I317-I355 WeakPolarHBondContact CA-O 3.31Å; I317-I355 HydrophobicContact CG1-CB 4.2Å; Y318-I355 PolarHBondContact N-O 3.07Å; I355-R386 WeakPolarHBondContact CA-O 3.3Å; I355-I388 HydrophobicContact CG2-CD1 3.82Å; I355-I388 HydrophobicContact CG2-CG1 3.84Å |
| 356 | W | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 120.1 | 175.3 | 178.2 | 13 | 0 | 0 | 0 | 110.1 | Y318 T320 V343 F344 M347 M358 V382 R386 M387 I388 | Y318-W356 CarbonylContact O-C 3.42Å; Y318-W356 WeakPolarHBondContact O-CA 3.24Å; T320-W356 PolarHBondContact O-NE1 2.94Å; V343-W356 HydrophobicContact CB-CH2 4.17Å; V343-W356 HydrophobicContact CB-CZ3 4.14Å; V343-W356 HydrophobicContact CG1-CD2 4.17Å; V343-W356 HydrophobicContact CG1-CE3 4.1Å; V343-W356 HydrophobicContact CG1-CH2 3.98Å; V343-W356 HydrophobicContact CG1-CZ2 4Å; V343-W356 HydrophobicContact CG1-CZ3 4.01Å; F344-W356 HydrophobicContact CB-CE3 4.36Å; F344-W356 HydrophobicContact CD2-CB 4.29Å; M347-W356 HydrophobicContact CE-CB 4.13Å; M347-W356 HydrophobicContact CE-CD2 4.25Å; M347-W356 HydrophobicContact CE-CG 3.78Å; M347-W356 HydrophobicContact SD-CB 3.84Å; M347-W356 HydrophobicContact SD-CG 4.13Å; W356-M358 HydrophobicContact CH2-SD 4.37Å; W356-M358 HydrophobicContact CZ2-CB 4.25Å; W356-M358 HydrophobicContact CZ2-CG 3.87Å; W356-M358 HydrophobicContact CZ2-SD 4.05Å; W356-V382 HydrophobicContact CE3-CG2 3.73Å; W356-V382 HydrophobicContact CZ3-CG2 3.77Å; W356-R386 PolarHBondContact N-O 2.91Å; W356-M387 HydrophobicContact CD2-CE 3.87Å; W356-M387 HydrophobicContact CE3-CE 3.33Å; W356-M387 HydrophobicContact CH2-CE 3.85Å; W356-M387 HydrophobicContact CZ2-CE 4.36Å; W356-M387 HydrophobicContact CZ3-CE 3.32Å; W356-M387 CarbonylContact O-C 3.58Å; W356-M387 WeakPolarHBondContact O-CA 3.11Å; W356-I388 PolarHBondContact O-N 2.72Å |
| 357 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.3 | 167.4 | -171 | 70.2 | 0 | 0 | 0 | 109.6 | Y140 V250 I317 Y318 N319 I388 L390 | Y140-L357 HydrophobicContact CD2-CD2 4.06Å; Y140-L357 HydrophobicContact CE2-CD2 3.57Å; V250-L357 HydrophobicContact CB-CD2 4.38Å; V250-L357 HydrophobicContact CG1-CB 4.31Å; V250-L357 HydrophobicContact CG1-CD2 3.9Å; V250-L357 HydrophobicContact CG2-CD2 3.82Å; I317-L357 HydrophobicContact CG2-CB 3.88Å; Y318-L357 PolarHBondContact O-N 3.12Å; N319-L357 VanDerWaalsContact CA-O 3.29Å; N319-L357 WeakPolarHBondContact CA-O 3.48Å; N319-L357 HydrophobicContact CB-CB 4.27Å; N319-L357 PolarHBondContact ND2-O 3.29Å; L357-I388 CarbonylContact C-O 3.59Å; L357-I388 WeakPolarHBondContact CA-O 3.21Å; L357-I388 HydrophobicContact CD1-CB 3.69Å; L357-I388 HydrophobicContact CD1-CG2 3.61Å; L357-L390 HydrophobicContact CD1-CD1 4.49Å; L357-L390 HydrophobicContact CD1-CD2 3.74Å; L357-L390 HydrophobicContact CD1-CG 3.9Å; L357-L390 HydrophobicContact CD2-CD1 4.13Å; L357-L390 HydrophobicContact CD2-CD2 4.35Å; L357-L390 HydrophobicContact CD2-CG 4.41Å; L357-L390 HydrophobicContact CG-CD1 4.14Å; L357-L390 HydrophobicContact CG-CD2 4.27Å; L357-L390 HydrophobicContact CG-CG 4.05Å |
| 358 | M | 97.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.3 | -176.1 | -170.1 | -164 | 81.7 | 0 | 0 | 111.1 | W356 L362 F363 L378 L379 M387 I388 V389 L390 | W356-M358 HydrophobicContact CH2-SD 4.37Å; W356-M358 HydrophobicContact CZ2-CB 4.25Å; W356-M358 HydrophobicContact CZ2-CG 3.87Å; W356-M358 HydrophobicContact CZ2-SD 4.05Å; M358-L362 HydrophobicContact CE-CD2 4.37Å; M358-F363 HydrophobicContact CE-CE2 3.7Å; M358-F363 HydrophobicContact CE-CZ 3.76Å; M358-L378 HydrophobicContact CE-CD2 4.35Å; M358-L378 HydrophobicContact SD-CD2 4.04Å; M358-L379 HydrophobicContact CE-CD2 4.01Å; M358-M387 HydrophobicContact SD-CE 4.21Å; M358-M387 HydrophobicContact SD-SD 4.32Å; M358-I388 PolarHBondContact N-O 3.26Å; M358-V389 HydrophobicContact CE-CG1 4.22Å; M358-V389 HydrophobicContact CE-CG2 4.43Å; M358-V389 WeakPolarHBondContact O-CA 3.15Å; M358-L390 PolarHBondContact O-N 3.04Å |
| 359 | Q | 98.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 128.3 | 171.7 | -61.2 | -175.7 | -93 | 0 | 0 | 111.1 | V144 D321 W361 L362 L390 L392 | V144-Q359 VanDerWaalsContact CG2-OE1 3.26Å; D321-Q359 WeakPolarHBondContact OD1-CB 3.4Å; D321-Q359 PolarHBondContact OD1-N 3.08Å; D321-Q359 PolarHBondContact OD2-OE1 3.05Å; Q359-W361 VanDerWaalsContact C-N 3.26Å; Q359-W361 PolarHBondContact O-N 3.16Å; Q359-L362 WeakPolarHBondContact O-CD2 3.12Å; Q359-L390 HydrophobicContact CG-CD1 4.43Å; Q359-L392 HydrophobicContact CG-CD1 4.32Å; Q359-L392 VanDerWaalsContact NE2-CD2 3.32Å |
| 360 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -0.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | L362 F363 L390 | G360-L362 PolarHBondContact O-N 2.91Å; G360-F363 WeakPolarHBondContact O-CB 3.26Å; G360-F363 WeakPolarHBondContact O-CD2 3.39Å; G360-F363 PolarHBondContact O-N 2.86Å; G360-F363 VanDerWaalsContact O-N 3.08Å; G360-L390 WeakPolarHBondContact CA-O 3.29Å; G360-L390 PolarHBondContact N-O 2.89Å |
| 361 | W | 97.8 | Very high | 97.3 | Very high | 27 Ų | 27 | 34.4 Ų | 34.4 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.8 | -34.4 | -175.1 | 178.4 | -111.8 | 0 | 0 | 0 | 113.9 | N324 E325 Q359 F363 F364 S365 L392 F393 L416 F419 | N324-W361 VanDerWaalsContact OD1-CD1 3.31Å; E325-W361 PolarHBondContact OE1-NE1 2.66Å; Q359-W361 VanDerWaalsContact C-N 3.26Å; Q359-W361 PolarHBondContact O-N 3.16Å; W361-F363 PolarHBondContact O-N 2.95Å; W361-F364 HydrophobicContact CD2-CD1 4.23Å; W361-F364 AromaticContact CE3-CD1 3.64Å; W361-F364 HydrophobicContact CE3-CD1 3.64Å; W361-F364 HydrophobicContact CE3-CE1 4.32Å; W361-F364 HydrophobicContact CE3-CG 4.43Å; W361-F364 AromaticContact CH2-CD1 3.52Å; W361-F364 HydrophobicContact CH2-CD1 3.52Å; W361-F364 AromaticContact CH2-CE1 3.38Å; W361-F364 HydrophobicContact CH2-CE1 3.38Å; W361-F364 HydrophobicContact CZ2-CD1 4.09Å; W361-F364 HydrophobicContact CZ2-CE1 4.15Å; W361-F364 AromaticContact CZ3-CD1 3.26Å; W361-F364 HydrophobicContact CZ3-CD1 3.26Å; W361-F364 AromaticContact CZ3-CE1 3.48Å; W361-F364 HydrophobicContact CZ3-CE1 3.48Å; W361-F364 VanDerWaalsContact CZ3-CE1 3.48Å; W361-F364 HydrophobicContact CZ3-CG 4.28Å; W361-F364 PolarHBondContact O-N 2.75Å; W361-S365 WeakPolarHBondContact O-CB 3.29Å; W361-S365 PolarHBondContact O-N 3.42Å; W361-S365 PolarHBondContact O-OG 3.42Å; W361-L392 HydrophobicContact CB-CB 4.47Å; W361-L392 HydrophobicContact CB-CD2 3.81Å; W361-L392 HydrophobicContact CG-CD2 4.42Å; W361-F393 HydrophobicContact CZ3-CB 4.18Å; W361-F393 HydrophobicContact CZ3-CD1 4.1Å; W361-F393 HydrophobicContact CZ3-CG 4.41Å; W361-L416 HydrophobicContact CE3-CD1 4.34Å; W361-L416 HydrophobicContact CZ3-CD1 4.1Å; W361-F419 AromaticContact CH2-CE1 3.84Å; W361-F419 HydrophobicContact CH2-CE1 3.84Å; W361-F419 HydrophobicContact CH2-CZ 4.28Å; W361-F419 HydrophobicContact CZ3-CE1 4.3Å; W361-F419 HydrophobicContact CZ3-CZ 4.48Å |
| 362 | L | 96.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.4 | -33.8 | 178.5 | 63 | 106 | 0 | 0 | 0 | 112.7 | M358 Q359 G360 F364 S365 N366 W370 L378 | M358-L362 HydrophobicContact CE-CD2 4.37Å; Q359-L362 WeakPolarHBondContact O-CD2 3.12Å; G360-L362 PolarHBondContact O-N 2.91Å; L362-F364 VanDerWaalsContact C-N 3.32Å; L362-F364 PolarHBondContact O-N 3.25Å; L362-S365 WeakPolarHBondContact CA-OG 3.14Å; L362-N366 PolarHBondContact O-N 3.43Å; L362-W370 HydrophobicContact CD1-CD2 3.5Å; L362-W370 VanDerWaalsContact CD1-CD2 3.5Å; L362-W370 HydrophobicContact CD1-CE3 3.96Å; L362-W370 HydrophobicContact CD1-CG 4.04Å; L362-W370 HydrophobicContact CD1-CH2 3.83Å; L362-W370 HydrophobicContact CD1-CZ2 3.37Å; L362-W370 HydrophobicContact CD1-CZ3 4.11Å; L362-L378 HydrophobicContact CD1-CD2 4.1Å |
| 363 | F | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.2 | -31 | 177.4 | -54.4 | -43.2 | 0 | 0 | 0 | 112.6 | M358 G360 W361 Q367 W370 I375 L378 L379 V399 F406 | M358-F363 HydrophobicContact CE-CE2 3.7Å; M358-F363 HydrophobicContact CE-CZ 3.76Å; G360-F363 WeakPolarHBondContact O-CB 3.26Å; G360-F363 WeakPolarHBondContact O-CD2 3.39Å; G360-F363 PolarHBondContact O-N 2.86Å; G360-F363 VanDerWaalsContact O-N 3.08Å; W361-F363 PolarHBondContact O-N 2.95Å; F363-Q367 VanDerWaalsContact O-CG 3.25Å; F363-Q367 WeakPolarHBondContact O-CG 3.45Å; F363-W370 HydrophobicContact CD1-CB 4.07Å; F363-W370 HydrophobicContact CD1-CD2 4.03Å; F363-W370 HydrophobicContact CD1-CE3 4.06Å; F363-W370 HydrophobicContact CD1-CG 4.02Å; F363-W370 HydrophobicContact CE1-CD2 4.21Å; F363-W370 AromaticContact CE1-CE3 3.84Å; F363-W370 HydrophobicContact CE1-CE3 3.84Å; F363-W370 HydrophobicContact CE1-CZ3 4.27Å; F363-I375 HydrophobicContact CB-CD1 4.22Å; F363-I375 HydrophobicContact CD1-CB 4.25Å; F363-I375 HydrophobicContact CD1-CD1 3.91Å; F363-I375 HydrophobicContact CD1-CG1 3.56Å; F363-I375 HydrophobicContact CD1-CG2 4.03Å; F363-I375 HydrophobicContact CD2-CG2 4.46Å; F363-I375 HydrophobicContact CE1-CB 4.01Å; F363-I375 HydrophobicContact CE1-CG1 3.79Å; F363-I375 HydrophobicContact CE1-CG2 3.69Å; F363-I375 HydrophobicContact CE2-CG2 4.16Å; F363-I375 HydrophobicContact CG-CD1 4.15Å; F363-I375 HydrophobicContact CG-CG1 4.27Å; F363-I375 HydrophobicContact CG-CG2 4.4Å; F363-I375 HydrophobicContact CZ-CG2 3.75Å; F363-L378 HydrophobicContact CE1-CD2 4Å; F363-L378 HydrophobicContact CZ-CD2 3.96Å; F363-L379 HydrophobicContact CE2-CD1 4.45Å; F363-L379 HydrophobicContact CE2-CD2 4.19Å; F363-L379 HydrophobicContact CZ-CD1 4.4Å; F363-L379 HydrophobicContact CZ-CD2 3.99Å; F363-L379 HydrophobicContact CZ-CG 4.12Å; F363-V399 HydrophobicContact CB-CG1 3.83Å; F363-V399 HydrophobicContact CB-CG2 4.47Å; F363-V399 HydrophobicContact CD2-CG1 4.02Å; F363-V399 HydrophobicContact CG-CG1 4.33Å; F363-F406 HydrophobicContact CD2-CE1 4.22Å; F363-F406 HydrophobicContact CE2-CD1 4.47Å; F363-F406 HydrophobicContact CE2-CE1 4.34Å |
| 364 | F | 95.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 33.9 Ų | 33.9 | 18% | 0.175 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -82.7 | -50.4 | 174.9 | 169.4 | -96.5 | 0 | 0 | 0 | 112.3 | W361 L362 N366 F393 D397 V399 | W361-F364 HydrophobicContact CD2-CD1 4.23Å; W361-F364 AromaticContact CE3-CD1 3.64Å; W361-F364 HydrophobicContact CE3-CD1 3.64Å; W361-F364 HydrophobicContact CE3-CE1 4.32Å; W361-F364 HydrophobicContact CE3-CG 4.43Å; W361-F364 AromaticContact CH2-CD1 3.52Å; W361-F364 HydrophobicContact CH2-CD1 3.52Å; W361-F364 AromaticContact CH2-CE1 3.38Å; W361-F364 HydrophobicContact CH2-CE1 3.38Å; W361-F364 HydrophobicContact CZ2-CD1 4.09Å; W361-F364 HydrophobicContact CZ2-CE1 4.15Å; W361-F364 AromaticContact CZ3-CD1 3.26Å; W361-F364 HydrophobicContact CZ3-CD1 3.26Å; W361-F364 AromaticContact CZ3-CE1 3.48Å; W361-F364 HydrophobicContact CZ3-CE1 3.48Å; W361-F364 VanDerWaalsContact CZ3-CE1 3.48Å; W361-F364 HydrophobicContact CZ3-CG 4.28Å; W361-F364 PolarHBondContact O-N 2.75Å; L362-F364 VanDerWaalsContact C-N 3.32Å; L362-F364 PolarHBondContact O-N 3.25Å; F364-N366 VanDerWaalsContact C-N 3.3Å; F364-N366 PolarHBondContact O-N 2.88Å; F364-F393 HydrophobicContact CE1-CD1 4.23Å; F364-F393 HydrophobicContact CE2-CD1 4.41Å; F364-F393 HydrophobicContact CZ-CD1 4.08Å; F364-F393 HydrophobicContact CZ-CE1 4.23Å; F364-D397 HydrophobicContact CD2-CB 3.65Å; F364-D397 VanDerWaalsContact CD2-CG 3.49Å; F364-D397 HydrophobicContact CE2-CB 3.51Å; F364-D397 WeakPolarHBondContact CE2-OD2 3.2Å; F364-V399 HydrophobicContact CB-CG2 4.38Å |
| 365 | S | 94.5 | Very high | 97.3 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 32% | 0.315 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.2 | -25.6 | -172 | 55 | 0 | 0 | 0 | 0 | 114.1 | W361 L362 | W361-S365 WeakPolarHBondContact O-CB 3.29Å; W361-S365 PolarHBondContact O-N 3.42Å; W361-S365 PolarHBondContact O-OG 3.42Å; L362-S365 WeakPolarHBondContact CA-OG 3.14Å |
| 366 | N | 95.4 | Very high | 97.3 | Very high | 36 Ų | 36 | 38.2 Ų | 38.2 | 19% | 0.193 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | 64.6 | 176.3 | -167.8 | -3.8 | 0 | 0 | 0 | 113 | T327 L362 F364 T368 F369 W370 | T327-N366 PolarHBondContact OG1-ND2 3.26Å; L362-N366 PolarHBondContact O-N 3.43Å; F364-N366 VanDerWaalsContact C-N 3.3Å; F364-N366 PolarHBondContact O-N 2.88Å; N366-T368 PolarHBondContact O-N 2.67Å; N366-T368 VanDerWaalsContact O-N 3.12Å; N366-T368 PolarHBondContact OD1-OG1 2.8Å; N366-F369 PolarHBondContact O-N 3.5Å; N366-F369 VanDerWaalsContact O-N 3.12Å; N366-F369 PolarHBondContact OD1-N 3.42Å; N366-W370 PolarHBondContact O-N 3.44Å |
| 367 | Q | 93.6 | Very high | 97.3 | Very high | 102 Ų | 102 | 38.7 Ų | 38.7 | 48% | 0.477 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.3 | 176.3 | -69.8 | 176.7 | 6.1 | 0 | 0 | 113.8 | F363 F369 | F363-Q367 VanDerWaalsContact O-CG 3.25Å; F363-Q367 WeakPolarHBondContact O-CG 3.45Å; Q367-F369 VanDerWaalsContact C-N 3.34Å |
| 368 | T | 96.1 | Very high | 97.3 | Very high | 119 Ų | 119 | 39 Ų | 39 | 73% | 0.73 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -33.3 | 177.7 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | N366 K371 | N366-T368 PolarHBondContact O-N 2.67Å; N366-T368 VanDerWaalsContact O-N 3.12Å; N366-T368 PolarHBondContact OD1-OG1 2.8Å; T368-K371 WeakPolarHBondContact O-CE 3.32Å |
| 369 | F | 97.6 | Very high | 97.3 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -49.8 | 174.7 | -179.2 | -82.6 | 0 | 0 | 0 | 111.2 | T327 P328 S330 L336 N366 Q367 K371 | T327-F369 HydrophobicContact CG2-CD2 3.68Å; T327-F369 HydrophobicContact CG2-CE2 4Å; T327-F369 HydrophobicContact CG2-CG 4.45Å; P328-F369 HydrophobicContact CB-CE1 4.15Å; P328-F369 HydrophobicContact CB-CE2 4.27Å; P328-F369 HydrophobicContact CB-CZ 3.61Å; P328-F369 VanDerWaalsContact CD-CZ 3.48Å; P328-F369 HydrophobicContact CG-CD1 4.25Å; P328-F369 HydrophobicContact CG-CE1 3.45Å; P328-F369 VanDerWaalsContact CG-CE1 3.45Å; P328-F369 HydrophobicContact CG-CE2 4.21Å; P328-F369 HydrophobicContact CG-CZ 3.42Å; P328-F369 VanDerWaalsContact CG-CZ 3.42Å; S330-F369 WeakPolarHBondContact O-CZ 3.34Å; L336-F369 HydrophobicContact CD1-CE1 4.21Å; L336-F369 HydrophobicContact CD1-CZ 4.44Å; L336-F369 HydrophobicContact CD2-CE1 4.32Å; L336-F369 HydrophobicContact CD2-CZ 4.31Å; N366-F369 PolarHBondContact O-N 3.5Å; N366-F369 VanDerWaalsContact O-N 3.12Å; N366-F369 PolarHBondContact OD1-N 3.42Å; Q367-F369 VanDerWaalsContact C-N 3.34Å; F369-K371 VanDerWaalsContact C-N 3.31Å; F369-K371 PolarHBondContact O-N 3.15Å |
| 370 | W | 97.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | trans | -82.5 | 72.4 | -173.4 | -67.6 | 107 | 0 | 0 | 0 | 112 | P328 L336 L362 F363 N366 Q374 I375 L378 | P328-W370 HydrophobicContact CG-CH2 4.08Å; P328-W370 HydrophobicContact CG-CZ2 3.58Å; L336-W370 HydrophobicContact CD1-CH2 4.38Å; L336-W370 HydrophobicContact CD1-CZ3 3.92Å; L336-W370 HydrophobicContact CD2-CH2 3.83Å; L336-W370 HydrophobicContact CD2-CZ3 4.2Å; L362-W370 HydrophobicContact CD1-CD2 3.5Å; L362-W370 VanDerWaalsContact CD1-CD2 3.5Å; L362-W370 HydrophobicContact CD1-CE3 3.96Å; L362-W370 HydrophobicContact CD1-CG 4.04Å; L362-W370 HydrophobicContact CD1-CH2 3.83Å; L362-W370 HydrophobicContact CD1-CZ2 3.37Å; L362-W370 HydrophobicContact CD1-CZ3 4.11Å; F363-W370 HydrophobicContact CD1-CB 4.07Å; F363-W370 HydrophobicContact CD1-CD2 4.03Å; F363-W370 HydrophobicContact CD1-CE3 4.06Å; F363-W370 HydrophobicContact CD1-CG 4.02Å; F363-W370 HydrophobicContact CE1-CD2 4.21Å; F363-W370 AromaticContact CE1-CE3 3.84Å; F363-W370 HydrophobicContact CE1-CE3 3.84Å; F363-W370 HydrophobicContact CE1-CZ3 4.27Å; N366-W370 PolarHBondContact O-N 3.44Å; W370-Q374 HydrophobicContact CE3-CB 3.94Å; W370-Q374 HydrophobicContact CZ3-CB 4.33Å; W370-I375 HydrophobicContact CB-CD1 4.37Å; W370-I375 HydrophobicContact CB-CG1 4Å; W370-I375 HydrophobicContact CE3-CG1 4.42Å; W370-I375 WeakPolarHBondContact O-CD1 3.47Å; W370-L378 HydrophobicContact CH2-CD1 4.41Å; W370-L378 HydrophobicContact CH2-CD2 3.81Å; W370-L378 HydrophobicContact CH2-CG 4.48Å; W370-L378 HydrophobicContact CZ3-CB 4.02Å; W370-L378 HydrophobicContact CZ3-CD2 3.85Å; W370-L378 HydrophobicContact CZ3-CG 4.41Å | ||
| 371 | K | 97.8 | Very high | 97.3 | Very high | 120 Ų | 120 | 42.9 Ų | 42.9 | 52% | 0.522 | 23% | 0.228 | S | C | . | . | trans | -83.4 | 167.8 | 172.7 | -44.6 | 177.1 | 179.3 | 176.6 | 0 | 110.4 | T368 F369 P373 Q374 I375 | T368-K371 WeakPolarHBondContact O-CE 3.32Å; F369-K371 VanDerWaalsContact C-N 3.31Å; F369-K371 PolarHBondContact O-N 3.15Å; K371-P373 VanDerWaalsContact C-CD 3.49Å; K371-P373 VanDerWaalsContact O-N 3.16Å; K371-Q374 VanDerWaalsContact CB-OE1 3.29Å; K371-Q374 WeakPolarHBondContact O-CB 3.3Å; K371-Q374 PolarHBondContact O-N 3.26Å; K371-Q374 PolarHBondContact O-OE1 3.43Å; K371-I375 WeakPolarHBondContact O-CG1 3.38Å; K371-I375 PolarHBondContact O-N 3.03Å | ||
| 372 | P | 98.3 | Very high | 97.3 | Very high | 75 Ų | 75 | 41.8 Ų | 41.8 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -49.6 | -44.6 | -174.5 | -28.4 | 35.1 | 0 | 0 | 0 | 115.1 | Q374 I375 Q376 | P372-Q374 VanDerWaalsContact C-N 3.33Å; P372-Q374 PolarHBondContact O-N 3.46Å; P372-I375 PolarHBondContact O-N 3.45Å; P372-Q376 VanDerWaalsContact O-CB 3.29Å; P372-Q376 WeakPolarHBondContact O-CB 3.2Å; P372-Q376 PolarHBondContact O-N 2.94Å |
| 373 | P | 98.4 | Very high | 97.4 | Very high | 72 Ų | 72 | 45 Ų | 45 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.1 | -36 | 177.6 | -22.6 | 35 | 0 | 0 | 0 | 113.8 | P333 K371 A377 | P333-P373 HydrophobicContact CG-CB 4.39Å; K371-P373 VanDerWaalsContact C-CD 3.49Å; K371-P373 VanDerWaalsContact O-N 3.16Å; P373-A377 WeakPolarHBondContact O-CB 3.45Å; P373-A377 PolarHBondContact O-N 2.98Å |
| 374 | Q | 98.7 | Very high | 97.4 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.7 | -44.6 | 179.6 | -73.4 | 67.4 | 35.1 | 0 | 0 | 111.3 | S331 L336 W370 K371 P372 A377 L378 | S331-Q374 PolarHBondContact O-NE2 3.02Å; L336-Q374 HydrophobicContact CD1-CB 3.52Å; L336-Q374 HydrophobicContact CD1-CG 3.55Å; W370-Q374 HydrophobicContact CE3-CB 3.94Å; W370-Q374 HydrophobicContact CZ3-CB 4.33Å; K371-Q374 VanDerWaalsContact CB-OE1 3.29Å; K371-Q374 WeakPolarHBondContact O-CB 3.3Å; K371-Q374 PolarHBondContact O-N 3.26Å; K371-Q374 PolarHBondContact O-OE1 3.43Å; P372-Q374 VanDerWaalsContact C-N 3.33Å; P372-Q374 PolarHBondContact O-N 3.46Å; Q374-A377 PolarHBondContact O-N 2.93Å; Q374-L378 PolarHBondContact O-N 2.75Å; Q374-L378 VanDerWaalsContact O-N 3.09Å |
| 375 | I | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -51.3 | 176.3 | -59.9 | -177.6 | 0 | 0 | 0 | 109.5 | F363 W370 K371 P372 A377 L378 L379 T403 Y407 | F363-I375 HydrophobicContact CB-CD1 4.22Å; F363-I375 HydrophobicContact CD1-CB 4.25Å; F363-I375 HydrophobicContact CD1-CD1 3.91Å; F363-I375 HydrophobicContact CD1-CG1 3.56Å; F363-I375 HydrophobicContact CD1-CG2 4.03Å; F363-I375 HydrophobicContact CD2-CG2 4.46Å; F363-I375 HydrophobicContact CE1-CB 4.01Å; F363-I375 HydrophobicContact CE1-CG1 3.79Å; F363-I375 HydrophobicContact CE1-CG2 3.69Å; F363-I375 HydrophobicContact CE2-CG2 4.16Å; F363-I375 HydrophobicContact CG-CD1 4.15Å; F363-I375 HydrophobicContact CG-CG1 4.27Å; F363-I375 HydrophobicContact CG-CG2 4.4Å; F363-I375 HydrophobicContact CZ-CG2 3.75Å; W370-I375 HydrophobicContact CB-CD1 4.37Å; W370-I375 HydrophobicContact CB-CG1 4Å; W370-I375 HydrophobicContact CE3-CG1 4.42Å; W370-I375 WeakPolarHBondContact O-CD1 3.47Å; K371-I375 WeakPolarHBondContact O-CG1 3.38Å; K371-I375 PolarHBondContact O-N 3.03Å; P372-I375 PolarHBondContact O-N 3.45Å; I375-A377 VanDerWaalsContact C-N 3.33Å; I375-A377 PolarHBondContact O-N 2.82Å; I375-L378 PolarHBondContact O-N 2.85Å; I375-L379 HydrophobicContact CG2-CD1 3.77Å; I375-L379 HydrophobicContact CG2-CG 4.31Å; I375-L379 WeakPolarHBondContact O-CG 3Å; I375-L379 PolarHBondContact O-N 3.26Å; I375-T403 HydrophobicContact CD1-CG2 4.04Å; I375-T403 HydrophobicContact CG2-CG2 4.03Å; I375-Y407 HydrophobicContact CB-CE2 4.09Å; I375-Y407 HydrophobicContact CG2-CD2 4.26Å; I375-Y407 HydrophobicContact CG2-CE2 3.69Å |
| 376 | Q | 98.4 | Very high | 97.7 | Very high | 86 Ų | 86 | 48 Ų | 48 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | -178.9 | -170.7 | 176 | -3.4 | 0 | 0 | 111.7 | P372 L378 L379 H380 Y407 | P372-Q376 VanDerWaalsContact O-CB 3.29Å; P372-Q376 WeakPolarHBondContact O-CB 3.2Å; P372-Q376 PolarHBondContact O-N 2.94Å; Q376-L378 PolarHBondContact O-N 2.76Å; Q376-L379 PolarHBondContact O-N 3.49Å; Q376-H380 WeakPolarHBondContact CG-ND1 3.42Å; Q376-H380 PolarHBondContact NE2-CE1 3.18Å; Q376-H380 PolarHBondContact NE2-ND1 3.36Å; Q376-H380 VanDerWaalsContact O-CB 3.29Å; Q376-H380 WeakPolarHBondContact O-CB 3.35Å; Q376-H380 PolarHBondContact O-N 2.96Å; Q376-Y407 HydrophobicContact CB-CD2 3.89Å; Q376-Y407 HydrophobicContact CB-CE2 3.96Å; Q376-Y407 HydrophobicContact CB-CG 4.48Å; Q376-Y407 HydrophobicContact CG-CD2 4.15Å; Q376-Y407 HydrophobicContact CG-CG 4.29Å |
| 377 | A | 98.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P333 L336 S337 P373 Q374 I375 G381 | P333-A377 HydrophobicContact CB-CB 3.72Å; P333-A377 WeakPolarHBondContact O-CB 3.45Å; L336-A377 HydrophobicContact CB-CB 4.3Å; S337-A377 VanDerWaalsContact CA-O 3.29Å; S337-A377 WeakPolarHBondContact CA-O 3.31Å; S337-A377 WeakPolarHBondContact CB-O 3.44Å; P373-A377 WeakPolarHBondContact O-CB 3.45Å; P373-A377 PolarHBondContact O-N 2.98Å; Q374-A377 PolarHBondContact O-N 2.93Å; I375-A377 VanDerWaalsContact C-N 3.33Å; I375-A377 PolarHBondContact O-N 2.82Å; A377-G381 PolarHBondContact O-N 2.83Å |
| 378 | L | 98.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -49.8 | 175.6 | -173.2 | 74.9 | 0 | 0 | 0 | 110.7 | V339 S340 M358 L362 F363 W370 Q374 I375 Q376 H380 G381 | V339-L378 HydrophobicContact CG1-CD1 4.48Å; S340-L378 WeakPolarHBondContact CB-O 3.46Å; S340-L378 PolarHBondContact OG-O 3.17Å; M358-L378 HydrophobicContact CE-CD2 4.35Å; M358-L378 HydrophobicContact SD-CD2 4.04Å; L362-L378 HydrophobicContact CD1-CD2 4.1Å; F363-L378 HydrophobicContact CE1-CD2 4Å; F363-L378 HydrophobicContact CZ-CD2 3.96Å; W370-L378 HydrophobicContact CH2-CD1 4.41Å; W370-L378 HydrophobicContact CH2-CD2 3.81Å; W370-L378 HydrophobicContact CH2-CG 4.48Å; W370-L378 HydrophobicContact CZ3-CB 4.02Å; W370-L378 HydrophobicContact CZ3-CD2 3.85Å; W370-L378 HydrophobicContact CZ3-CG 4.41Å; Q374-L378 PolarHBondContact O-N 2.75Å; Q374-L378 VanDerWaalsContact O-N 3.09Å; I375-L378 PolarHBondContact O-N 2.85Å; Q376-L378 PolarHBondContact O-N 2.76Å; L378-H380 PolarHBondContact O-N 2.87Å; L378-G381 PolarHBondContact O-N 2.9Å |
| 379 | L | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.9 | -31.8 | -175.6 | -65.8 | -179.6 | 0 | 0 | 0 | 113.5 | M358 F363 I375 Q376 M387 V389 F406 Y407 Q409 | M358-L379 HydrophobicContact CE-CD2 4.01Å; F363-L379 HydrophobicContact CE2-CD1 4.45Å; F363-L379 HydrophobicContact CE2-CD2 4.19Å; F363-L379 HydrophobicContact CZ-CD1 4.4Å; F363-L379 HydrophobicContact CZ-CD2 3.99Å; F363-L379 HydrophobicContact CZ-CG 4.12Å; I375-L379 HydrophobicContact CG2-CD1 3.77Å; I375-L379 HydrophobicContact CG2-CG 4.31Å; I375-L379 WeakPolarHBondContact O-CG 3Å; I375-L379 PolarHBondContact O-N 3.26Å; Q376-L379 PolarHBondContact O-N 3.49Å; L379-M387 HydrophobicContact CD2-SD 3.55Å; L379-M387 VanDerWaalsContact CD2-SD 3.55Å; L379-V389 HydrophobicContact CD2-CG2 3.68Å; L379-F406 HydrophobicContact CD1-CB 4.04Å; L379-F406 HydrophobicContact CD1-CD1 4.11Å; L379-Y407 HydrophobicContact CD1-CD2 4.12Å; L379-Q409 HydrophobicContact CB-CG 4.32Å; L379-Q409 PolarHBondContact O-NE2 3.15Å |
| 380 | H | 98.2 | Very high | 98.3 | Very high | 81 Ų | 81 | 34.5 Ų | 34.5 | 38% | 0.375 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -91.2 | -4 | -179.1 | -69 | 175 | 0 | 0 | 0 | 114.3 | Q376 L378 V382 Y407 | Q376-H380 WeakPolarHBondContact CG-ND1 3.42Å; Q376-H380 PolarHBondContact NE2-CE1 3.18Å; Q376-H380 PolarHBondContact NE2-ND1 3.36Å; Q376-H380 VanDerWaalsContact O-CB 3.29Å; Q376-H380 WeakPolarHBondContact O-CB 3.35Å; Q376-H380 PolarHBondContact O-N 2.96Å; L378-H380 PolarHBondContact O-N 2.87Å; H380-V382 PolarHBondContact O-N 2.98Å; H380-Y407 PolarHBondContact NE2-O 2.98Å |
| 381 | G | 97.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 7% | 0.072 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -9.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S340 H341 A377 L378 | S340-G381 WeakPolarHBondContact OG-CA 3.11Å; H341-G381 WeakPolarHBondContact CA-O 3.42Å; A377-G381 PolarHBondContact O-N 2.83Å; L378-G381 PolarHBondContact O-N 2.9Å |
| 382 | V | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -118.1 | 139.6 | 174.1 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | F344 W356 H380 R386 M387 Q409 | F344-V382 HydrophobicContact CB-CG1 4.41Å; F344-V382 HydrophobicContact CB-CG2 3.75Å; F344-V382 HydrophobicContact CD1-CG1 3.93Å; F344-V382 HydrophobicContact CD2-CG1 3.85Å; F344-V382 HydrophobicContact CE1-CG1 4.14Å; F344-V382 HydrophobicContact CE2-CG1 4.06Å; F344-V382 HydrophobicContact CG-CB 4.5Å; F344-V382 HydrophobicContact CG-CG1 3.79Å; F344-V382 HydrophobicContact CG-CG2 4.05Å; F344-V382 HydrophobicContact CZ-CG1 4.2Å; W356-V382 HydrophobicContact CE3-CG2 3.73Å; W356-V382 HydrophobicContact CZ3-CG2 3.77Å; H380-V382 PolarHBondContact O-N 2.98Å; V382-R386 HydrophobicContact CG1-CB 3.94Å; V382-M387 HydrophobicContact CB-CB 4.35Å; V382-M387 HydrophobicContact CB-CE 4.14Å; V382-M387 HydrophobicContact CG1-CB 4.01Å; V382-M387 HydrophobicContact CG2-CE 3.71Å; V382-Q409 PolarHBondContact O-NE2 2.94Å |
| 383 | P | 98.2 | Very high | 98.3 | Very high | 76 Ų | 76 | 25.2 Ų | 25.2 | 49% | 0.494 | 14% | 0.136 | S | C | . | . | trans | -55.1 | 143.7 | 176.5 | -25.4 | 34.5 | 0 | 0 | 0 | 112.7 | F344 G385 R386 Q409 | F344-P383 HydrophobicContact CE1-CG 4.28Å; P383-G385 PolarHBondContact O-N 2.92Å; P383-R386 HydrophobicContact CB-CB 4.35Å; P383-R386 HydrophobicContact CB-CG 4.03Å; P383-R386 WeakPolarHBondContact O-CB 3.24Å; P383-R386 PolarHBondContact O-N 3.34Å; P383-Q409 PolarHBondContact O-NE2 2.69Å | ||
| 384 | L | 97.6 | Very high | 98.3 | Very high | 99 Ų | 99 | 21.9 Ų | 21.9 | 52% | 0.518 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 133.8 | 178.3 | -66.2 | -179.6 | 0 | 0 | 0 | 111.3 | R386 Q409 | L384-R386 VanDerWaalsContact C-N 3.25Å; L384-R386 PolarHBondContact O-N 3.16Å; L384-Q409 HydrophobicContact CD2-CG 4.19Å |
| 385 | G | 97.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 1.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T26 P383 | T26-G385 WeakPolarHBondContact CB-O 3.33Å; T26-G385 WeakPolarHBondContact OG1-CA 3.03Å; T26-G385 PolarHBondContact OG1-O 3Å; P383-G385 PolarHBondContact O-N 2.92Å |
| 386 | R | 98.3 | Very high | 98.1 | Very high | 49 Ų | 49 | 22 Ų | 22 | 19% | 0.185 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -103.2 | -0.1 | 173.5 | -61.2 | -65.6 | -64.2 | -103.3 | -4.8 | 113.5 | T26 F344 P352 A354 I355 W356 V382 P383 L384 | T26-R386 HydrophobicContact CG2-CG 4.3Å; F344-R386 HydrophobicContact CE1-CB 4.36Å; F344-R386 HydrophobicContact CE2-CB 3.99Å; F344-R386 HydrophobicContact CZ-CB 3.6Å; F344-R386 HydrophobicContact CZ-CG 4.16Å; P352-R386 PolarHBondContact O-NH1 3.44Å; P352-R386 PolarHBondContact O-NH2 2.91Å; A354-R386 VanDerWaalsContact O-CZ 3.28Å; A354-R386 PolarHBondContact O-NE 3.39Å; A354-R386 PolarHBondContact O-NH2 3.32Å; I355-R386 WeakPolarHBondContact CA-O 3.3Å; W356-R386 PolarHBondContact N-O 2.91Å; V382-R386 HydrophobicContact CG1-CB 3.94Å; P383-R386 HydrophobicContact CB-CB 4.35Å; P383-R386 HydrophobicContact CB-CG 4.03Å; P383-R386 WeakPolarHBondContact O-CB 3.24Å; P383-R386 PolarHBondContact O-N 3.34Å; L384-R386 VanDerWaalsContact C-N 3.25Å; L384-R386 PolarHBondContact O-N 3.16Å |
| 387 | M | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137.9 | 167.8 | 176.2 | -175.1 | -77.6 | 0 | 0 | 108.8 | W356 M358 L379 V382 V389 Q409 P410 | W356-M387 HydrophobicContact CD2-CE 3.87Å; W356-M387 HydrophobicContact CE3-CE 3.33Å; W356-M387 HydrophobicContact CH2-CE 3.85Å; W356-M387 HydrophobicContact CZ2-CE 4.36Å; W356-M387 HydrophobicContact CZ3-CE 3.32Å; W356-M387 CarbonylContact O-C 3.58Å; W356-M387 WeakPolarHBondContact O-CA 3.11Å; M358-M387 HydrophobicContact SD-CE 4.21Å; M358-M387 HydrophobicContact SD-SD 4.32Å; L379-M387 HydrophobicContact CD2-SD 3.55Å; L379-M387 VanDerWaalsContact CD2-SD 3.55Å; V382-M387 HydrophobicContact CB-CB 4.35Å; V382-M387 HydrophobicContact CB-CE 4.14Å; V382-M387 HydrophobicContact CG1-CB 4.01Å; V382-M387 HydrophobicContact CG2-CE 3.71Å; M387-V389 HydrophobicContact CG-CG2 4.26Å; M387-V389 HydrophobicContact SD-CG2 4.04Å; M387-Q409 PolarHBondContact O-OE1 3.38Å; M387-P410 WeakPolarHBondContact O-CD 3.5Å; M387-P410 WeakPolarHBondContact O-CG 3.33Å |
| 388 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.3 | 166.5 | -60.7 | 170.1 | 0 | 0 | 0 | 107.5 | L27 F138 I355 W356 L357 M358 P410 I412 V448 | L27-I388 HydrophobicContact CD1-CD1 4.48Å; L27-I388 HydrophobicContact CD2-CD1 4.07Å; L27-I388 HydrophobicContact CD2-CG1 4.41Å; F138-I388 HydrophobicContact CD2-CD1 4.37Å; F138-I388 HydrophobicContact CE2-CD1 3.87Å; I355-I388 HydrophobicContact CG2-CD1 3.82Å; I355-I388 HydrophobicContact CG2-CG1 3.84Å; W356-I388 PolarHBondContact O-N 2.72Å; L357-I388 CarbonylContact C-O 3.59Å; L357-I388 WeakPolarHBondContact CA-O 3.21Å; L357-I388 HydrophobicContact CD1-CB 3.69Å; L357-I388 HydrophobicContact CD1-CG2 3.61Å; M358-I388 PolarHBondContact N-O 3.26Å; I388-P410 CarbonylContact C-O 3.53Å; I388-P410 VanDerWaalsContact CA-O 3.31Å; I388-P410 WeakPolarHBondContact CA-O 3.24Å; I388-P410 HydrophobicContact CG1-CB 4.49Å; I388-P410 HydrophobicContact CG1-CG 4.01Å; I388-I412 HydrophobicContact CG2-CD1 3.95Å; I388-I412 HydrophobicContact CG2-CG1 3.8Å; I388-V448 HydrophobicContact CG2-CG2 4.28Å |
| 389 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 130.7 | 176.4 | -172.7 | 0 | 0 | 0 | 0 | 110 | M358 L379 M387 F406 Q409 P410 F411 I412 | M358-V389 HydrophobicContact CE-CG1 4.22Å; M358-V389 HydrophobicContact CE-CG2 4.43Å; M358-V389 WeakPolarHBondContact O-CA 3.15Å; L379-V389 HydrophobicContact CD2-CG2 3.68Å; M387-V389 HydrophobicContact CG-CG2 4.26Å; M387-V389 HydrophobicContact SD-CG2 4.04Å; V389-F406 HydrophobicContact CB-CD1 4.1Å; V389-F406 HydrophobicContact CB-CE1 4.23Å; V389-F406 HydrophobicContact CB-CG 4.24Å; V389-F406 HydrophobicContact CB-CZ 4.48Å; V389-F406 HydrophobicContact CG1-CD1 3.8Å; V389-F406 HydrophobicContact CG1-CE1 3.53Å; V389-F406 HydrophobicContact CG1-CG 4.4Å; V389-F406 HydrophobicContact CG1-CZ 3.91Å; V389-F406 HydrophobicContact CG2-CD1 4.21Å; V389-F406 HydrophobicContact CG2-CG 4.37Å; V389-Q409 HydrophobicContact CG2-CB 4.49Å; V389-P410 PolarHBondContact N-O 3.2Å; V389-F411 HydrophobicContact CB-CB 4.33Å; V389-F411 CarbonylContact O-C 3.57Å; V389-F411 WeakPolarHBondContact O-CA 3.44Å; V389-F411 VanDerWaalsContact O-CB 3.31Å; V389-F411 WeakPolarHBondContact O-CB 3.14Å; V389-I412 PolarHBondContact O-N 2.89Å |
| 390 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 108.4 | 167.7 | -60.2 | 176.1 | 0 | 0 | 0 | 108.3 | Y140 L357 M358 Q359 G360 L392 I412 | Y140-L390 HydrophobicContact CD1-CD1 4.26Å; Y140-L390 HydrophobicContact CD1-CD2 3.76Å; Y140-L390 HydrophobicContact CD2-CD2 4.23Å; Y140-L390 HydrophobicContact CE1-CD1 3.57Å; Y140-L390 HydrophobicContact CE1-CD2 3.95Å; Y140-L390 HydrophobicContact CE1-CG 4.41Å; Y140-L390 HydrophobicContact CE2-CD1 4.26Å; Y140-L390 HydrophobicContact CE2-CD2 4.45Å; Y140-L390 HydrophobicContact CG-CD2 3.92Å; L357-L390 HydrophobicContact CD1-CD1 4.49Å; L357-L390 HydrophobicContact CD1-CD2 3.74Å; L357-L390 HydrophobicContact CD1-CG 3.9Å; L357-L390 HydrophobicContact CD2-CD1 4.13Å; L357-L390 HydrophobicContact CD2-CD2 4.35Å; L357-L390 HydrophobicContact CD2-CG 4.41Å; L357-L390 HydrophobicContact CG-CD1 4.14Å; L357-L390 HydrophobicContact CG-CD2 4.27Å; L357-L390 HydrophobicContact CG-CG 4.05Å; M358-L390 PolarHBondContact O-N 3.04Å; Q359-L390 HydrophobicContact CG-CD1 4.43Å; G360-L390 WeakPolarHBondContact CA-O 3.29Å; G360-L390 PolarHBondContact N-O 2.89Å; L390-L392 VanDerWaalsContact C-N 3.25Å; L390-L392 HydrophobicContact CB-CD1 3.94Å; L390-L392 HydrophobicContact CD1-CD1 4.25Å; L390-L392 PolarHBondContact O-N 3.18Å; L390-I412 HydrophobicContact CD2-CB 3.94Å; L390-I412 HydrophobicContact CD2-CD1 4.04Å; L390-I412 HydrophobicContact CD2-CG1 4.41Å; L390-I412 HydrophobicContact CD2-CG2 4.33Å |
| 391 | D | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 86.1 | 170.4 | -164.5 | -12.2 | 0 | 0 | 0 | 108.2 | F393 A394 V399 F400 F406 F411 I412 C414 | D391-F393 VanDerWaalsContact C-N 3.31Å; D391-F393 PolarHBondContact O-N 2.85Å; D391-A394 HydrophobicContact CB-CB 4.08Å; D391-A394 WeakPolarHBondContact O-CB 3.4Å; D391-V399 WeakPolarHBondContact OD1-CB 3.47Å; D391-V399 WeakPolarHBondContact OD1-CG2 3.47Å; D391-V399 PolarHBondContact OD1-N 3.35Å; D391-V399 PolarHBondContact OD2-N 2.79Å; D391-V399 VanDerWaalsContact OD2-N 3.07Å; D391-F400 WeakPolarHBondContact OD2-CB 3.25Å; D391-F400 VanDerWaalsContact OD2-CD1 3.28Å; D391-F400 WeakPolarHBondContact OD2-CD1 3.13Å; D391-F400 PolarHBondContact OD2-N 3.4Å; D391-F406 HydrophobicContact CB-CE2 3.88Å; D391-F406 HydrophobicContact CB-CZ 3.73Å; D391-F411 HydrophobicContact CB-CD2 4.03Å; D391-I412 PolarHBondContact N-O 3.43Å; D391-C414 VanDerWaalsContact O-CB 3.28Å; D391-C414 WeakPolarHBondContact O-CB 3.32Å; D391-C414 PolarHBondContact O-N 3.4Å |
| 392 | L | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -27.6 | -150.3 | -155.2 | 75 | 0 | 0 | 0 | 113.7 | Q359 W361 L390 L416 T453 | Q359-L392 HydrophobicContact CG-CD1 4.32Å; Q359-L392 VanDerWaalsContact NE2-CD2 3.32Å; W361-L392 HydrophobicContact CB-CB 4.47Å; W361-L392 HydrophobicContact CB-CD2 3.81Å; W361-L392 HydrophobicContact CG-CD2 4.42Å; L390-L392 VanDerWaalsContact C-N 3.25Å; L390-L392 HydrophobicContact CB-CD1 3.94Å; L390-L392 HydrophobicContact CD1-CD1 4.25Å; L390-L392 PolarHBondContact O-N 3.18Å; L392-L416 HydrophobicContact CD2-CD1 4.3Å; L392-L416 HydrophobicContact CG-CD1 4.33Å; L392-L416 VanDerWaalsContact O-CB 3.31Å; L392-L416 WeakPolarHBondContact O-CB 3.49Å; L392-T453 HydrophobicContact CD1-CG2 3.7Å; L392-T453 HydrophobicContact CG-CG2 4.49Å; L392-T453 PolarHBondContact O-OG1 2.81Å |
| 393 | F | 97.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 38.7 | -174.3 | -169.3 | -152 | 0 | 0 | 0 | 112 | W361 F364 D391 E395 A396 D397 L416 F419 Y517 V518 | W361-F393 HydrophobicContact CZ3-CB 4.18Å; W361-F393 HydrophobicContact CZ3-CD1 4.1Å; W361-F393 HydrophobicContact CZ3-CG 4.41Å; F364-F393 HydrophobicContact CE1-CD1 4.23Å; F364-F393 HydrophobicContact CE2-CD1 4.41Å; F364-F393 HydrophobicContact CZ-CD1 4.08Å; F364-F393 HydrophobicContact CZ-CE1 4.23Å; D391-F393 VanDerWaalsContact C-N 3.31Å; D391-F393 PolarHBondContact O-N 2.85Å; F393-E395 VanDerWaalsContact C-OE2 3.3Å; F393-E395 VanDerWaalsContact CD2-OE1 3.28Å; F393-E395 WeakPolarHBondContact CD2-OE1 3.46Å; F393-E395 WeakPolarHBondContact CD2-OE2 3.4Å; F393-E395 VanDerWaalsContact CE2-OE1 3.23Å; F393-E395 WeakPolarHBondContact CE2-OE1 3.29Å; F393-E395 PolarHBondContact O-N 3Å; F393-E395 VanDerWaalsContact O-N 3.17Å; F393-A396 HydrophobicContact CD1-CB 4.18Å; F393-A396 HydrophobicContact CD2-CB 3.91Å; F393-A396 HydrophobicContact CE1-CB 3.67Å; F393-A396 HydrophobicContact CE2-CB 3.37Å; F393-A396 HydrophobicContact CG-CB 4.3Å; F393-A396 HydrophobicContact CZ-CB 3.25Å; F393-A396 PolarHBondContact O-N 3.33Å; F393-A396 VanDerWaalsContact O-N 3.1Å; F393-D397 HydrophobicContact CD1-CB 4.46Å; F393-D397 CarbonylContact O-C 3.44Å; F393-D397 PolarHBondContact O-N 3.49Å; F393-L416 HydrophobicContact CB-CB 4.22Å; F393-L416 HydrophobicContact CB-CD1 3.98Å; F393-L416 HydrophobicContact CD2-CB 3.55Å; F393-L416 HydrophobicContact CD2-CD1 4.33Å; F393-L416 HydrophobicContact CD2-CG 4.44Å; F393-L416 HydrophobicContact CE2-CB 4.29Å; F393-L416 HydrophobicContact CG-CB 4.23Å; F393-L416 HydrophobicContact CG-CD1 4.26Å; F393-F419 HydrophobicContact CD1-CZ 4.46Å; F393-F419 HydrophobicContact CD2-CZ 4.42Å; F393-F419 HydrophobicContact CE1-CZ 4.18Å; F393-F419 HydrophobicContact CE2-CE2 4.05Å; F393-F419 HydrophobicContact CE2-CZ 4.13Å; F393-F419 AromaticContact CZ-CE2 3.98Å; F393-F419 HydrophobicContact CZ-CE2 3.98Å; F393-F419 AromaticContact CZ-CZ 3.99Å; F393-F419 HydrophobicContact CZ-CZ 3.99Å; F393-Y517 WeakPolarHBondContact CZ-O 3.43Å; F393-V518 HydrophobicContact CE1-CG2 4.28Å |
| 394 | A | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -11.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D391 A396 P398 W413 C414 | D391-A394 HydrophobicContact CB-CB 4.08Å; D391-A394 WeakPolarHBondContact O-CB 3.4Å; A394-A396 VanDerWaalsContact C-N 3.32Å; A394-P398 HydrophobicContact CB-CB 4.17Å; A394-W413 VanDerWaalsContact CB-CD1 3.43Å; A394-W413 HydrophobicContact CB-CD2 3.89Å; A394-W413 HydrophobicContact CB-CG 3.81Å; A394-W413 HydrophobicContact CB-CZ2 4.25Å; A394-W413 VanDerWaalsContact CB-NE1 3.28Å; A394-W413 WeakPolarHBondContact O-CZ2 3.44Å; A394-W413 PolarHBondContact O-NE1 3.39Å; A394-C414 WeakPolarHBondContact CB-O 3.3Å; A394-C414 PolarHBondContact N-O 3.42Å |
| 395 | E | 97.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.019 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -18.9 | 172 | 84.7 | -76.2 | -165.1 | 0 | 0 | 113.6 | F393 W413 M415 L416 N417 T428 S431 I432 | F393-E395 VanDerWaalsContact C-OE2 3.3Å; F393-E395 VanDerWaalsContact CD2-OE1 3.28Å; F393-E395 WeakPolarHBondContact CD2-OE1 3.46Å; F393-E395 WeakPolarHBondContact CD2-OE2 3.4Å; F393-E395 VanDerWaalsContact CE2-OE1 3.23Å; F393-E395 WeakPolarHBondContact CE2-OE1 3.29Å; F393-E395 PolarHBondContact O-N 3Å; F393-E395 VanDerWaalsContact O-N 3.17Å; E395-W413 HydrophobicContact CB-CH2 3.64Å; E395-W413 HydrophobicContact CB-CZ2 3.96Å; E395-M415 HydrophobicContact CB-CG 4.43Å; E395-M415 HydrophobicContact CG-CG 4.18Å; E395-M415 WeakPolarHBondContact OE2-CA 3.36Å; E395-L416 PolarHBondContact OE1-N 2.89Å; E395-L416 PolarHBondContact OE2-N 3.29Å; E395-N417 WeakPolarHBondContact OE1-CA 3.33Å; E395-N417 PolarHBondContact OE1-N 2.64Å; E395-T428 VanDerWaalsContact CG-OG1 3.32Å; E395-T428 WeakPolarHBondContact CG-OG1 3.41Å; E395-S431 VanDerWaalsContact O-CB 3.23Å; E395-S431 WeakPolarHBondContact O-CB 3.36Å; E395-S431 PolarHBondContact O-OG 3.03Å; E395-I432 HydrophobicContact CB-CG1 3.96Å; E395-I432 HydrophobicContact CG-CG1 4.36Å |
| 396 | A | 95.5 | Very high | 97.7 | Very high | 26 Ų | 26 | 22.6 Ų | 22.6 | 22% | 0.215 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -40.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F393 A394 | F393-A396 HydrophobicContact CD1-CB 4.18Å; F393-A396 HydrophobicContact CD2-CB 3.91Å; F393-A396 HydrophobicContact CE1-CB 3.67Å; F393-A396 HydrophobicContact CE2-CB 3.37Å; F393-A396 HydrophobicContact CG-CB 4.3Å; F393-A396 HydrophobicContact CZ-CB 3.25Å; F393-A396 PolarHBondContact O-N 3.33Å; F393-A396 VanDerWaalsContact O-N 3.1Å; A394-A396 VanDerWaalsContact C-N 3.32Å |
| 397 | D | 95.4 | Very high | 97.7 | Very high | 40 Ų | 40 | 22 Ų | 22 | 21% | 0.214 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -142 | 84.3 | 179.5 | -159.7 | -49.4 | 0 | 0 | 0 | 110.9 | F364 F393 V399 | F364-D397 HydrophobicContact CD2-CB 3.65Å; F364-D397 VanDerWaalsContact CD2-CG 3.49Å; F364-D397 HydrophobicContact CE2-CB 3.51Å; F364-D397 WeakPolarHBondContact CE2-OD2 3.2Å; F393-D397 HydrophobicContact CD1-CB 4.46Å; F393-D397 CarbonylContact O-C 3.44Å; F393-D397 PolarHBondContact O-N 3.49Å; D397-V399 PolarHBondContact O-N 3.15Å |
| 398 | P | 97.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 23.1 Ų | 23.1 | 21% | 0.214 | 12% | 0.124 | C | C | . | . | trans | -76.9 | 110.7 | -175.7 | 28.3 | -33.4 | 0 | 0 | 0 | 113 | A394 F400 T401 | A394-P398 HydrophobicContact CB-CB 4.17Å; P398-F400 VanDerWaalsContact C-N 3.28Å; P398-F400 HydrophobicContact CB-CD1 3.62Å; P398-F400 HydrophobicContact CB-CE1 3.44Å; P398-F400 VanDerWaalsContact CB-CE1 3.44Å; P398-F400 HydrophobicContact CB-CZ 4.41Å; P398-F400 HydrophobicContact CG-CE1 4.31Å; P398-F400 PolarHBondContact O-N 3.42Å; P398-T401 HydrophobicContact CB-CG2 4.03Å; P398-T401 HydrophobicContact CG-CG2 3.74Å; P398-T401 PolarHBondContact O-N 2.9Å; P398-T401 PolarHBondContact O-OG1 3.45Å | ||
| 399 | V | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -65.1 | -30.3 | -179.4 | -178 | 0 | 0 | 0 | 0 | 112.2 | F363 F364 D391 D397 T401 Y402 T403 F406 | F363-V399 HydrophobicContact CB-CG1 3.83Å; F363-V399 HydrophobicContact CB-CG2 4.47Å; F363-V399 HydrophobicContact CD2-CG1 4.02Å; F363-V399 HydrophobicContact CG-CG1 4.33Å; F364-V399 HydrophobicContact CB-CG2 4.38Å; D391-V399 WeakPolarHBondContact OD1-CB 3.47Å; D391-V399 WeakPolarHBondContact OD1-CG2 3.47Å; D391-V399 PolarHBondContact OD1-N 3.35Å; D391-V399 PolarHBondContact OD2-N 2.79Å; D391-V399 VanDerWaalsContact OD2-N 3.07Å; D397-V399 PolarHBondContact O-N 3.15Å; V399-T401 PolarHBondContact O-N 3.27Å; V399-Y402 HydrophobicContact CG1-CE2 3.89Å; V399-Y402 WeakPolarHBondContact CG2-OH 3.23Å; V399-Y402 PolarHBondContact O-N 2.72Å; V399-T403 HydrophobicContact CG1-CG2 3.74Å; V399-T403 WeakPolarHBondContact O-CG2 3.28Å; V399-T403 PolarHBondContact O-N 3.4Å; V399-T403 PolarHBondContact O-OG1 3.15Å; V399-F406 HydrophobicContact CB-CE1 3.99Å; V399-F406 HydrophobicContact CB-CZ 3.83Å; V399-F406 HydrophobicContact CG1-CE1 3.6Å; V399-F406 HydrophobicContact CG1-CZ 3.98Å |
| 400 | F | 98.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 4% | 0.044 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -56.8 | -27.3 | -179.8 | 81.4 | -96.9 | 0 | 0 | 0 | 112.8 | D391 P398 T403 E404 S405 F406 F411 W413 A439 F442 | D391-F400 WeakPolarHBondContact OD2-CB 3.25Å; D391-F400 VanDerWaalsContact OD2-CD1 3.28Å; D391-F400 WeakPolarHBondContact OD2-CD1 3.13Å; D391-F400 PolarHBondContact OD2-N 3.4Å; P398-F400 VanDerWaalsContact C-N 3.28Å; P398-F400 HydrophobicContact CB-CD1 3.62Å; P398-F400 HydrophobicContact CB-CE1 3.44Å; P398-F400 VanDerWaalsContact CB-CE1 3.44Å; P398-F400 HydrophobicContact CB-CZ 4.41Å; P398-F400 HydrophobicContact CG-CE1 4.31Å; P398-F400 PolarHBondContact O-N 3.42Å; F400-T403 WeakPolarHBondContact CA-OG1 3.37Å; F400-E404 PolarHBondContact O-N 2.98Å; F400-S405 PolarHBondContact O-N 2.83Å; F400-F406 HydrophobicContact CB-CD2 4.01Å; F400-F406 HydrophobicContact CB-CE2 3.59Å; F400-F406 HydrophobicContact CB-CZ 4.39Å; F400-F411 HydrophobicContact CB-CD2 4.26Å; F400-F411 HydrophobicContact CB-CE1 4.31Å; F400-F411 HydrophobicContact CB-CE2 3.74Å; F400-F411 HydrophobicContact CB-CZ 3.77Å; F400-F411 AromaticContact CD1-CE2 3.91Å; F400-F411 HydrophobicContact CD1-CE2 3.91Å; F400-F411 HydrophobicContact CD1-CZ 4.17Å; F400-F411 HydrophobicContact CD2-CZ 4.17Å; F400-F411 AromaticContact CG-CE2 3.88Å; F400-F411 HydrophobicContact CG-CE2 3.88Å; F400-F411 AromaticContact CG-CZ 3.79Å; F400-F411 HydrophobicContact CG-CZ 3.79Å; F400-W413 AromaticContact CE1-CD1 3.87Å; F400-A439 HydrophobicContact CE1-CB 3.89Å; F400-A439 HydrophobicContact CE2-CB 4.28Å; F400-A439 HydrophobicContact CZ-CB 3.76Å; F400-F442 HydrophobicContact CD2-CB 4.48Å; F400-F442 HydrophobicContact CD2-CD1 4.21Å; F400-F442 HydrophobicContact CD2-CD2 4.24Å; F400-F442 HydrophobicContact CD2-CG 4.06Å; F400-F442 HydrophobicContact CE2-CB 3.98Å; F400-F442 HydrophobicContact CE2-CD1 4.37Å; F400-F442 AromaticContact CE2-CD2 3.69Å; F400-F442 HydrophobicContact CE2-CD2 3.69Å; F400-F442 HydrophobicContact CE2-CE2 4.24Å; F400-F442 AromaticContact CE2-CG 3.75Å; F400-F442 HydrophobicContact CE2-CG 3.75Å |
| 401 | T | 97.1 | Very high | 97.6 | Very high | 65 Ų | 65 | 23.1 Ų | 23.1 | 40% | 0.399 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -69.2 | -39.2 | -173.4 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | P398 V399 | P398-T401 HydrophobicContact CB-CG2 4.03Å; P398-T401 HydrophobicContact CG-CG2 3.74Å; P398-T401 PolarHBondContact O-N 2.9Å; P398-T401 PolarHBondContact O-OG1 3.45Å; V399-T401 PolarHBondContact O-N 3.27Å |
| 402 | Y | 96.3 | Very high | 97.6 | Very high | 89 Ų | 89 | 23.1 Ų | 23.1 | 35% | 0.349 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 1.1 | -179.2 | 58.1 | -99.6 | 0 | 0 | 0 | 113.7 | V399 | V399-Y402 HydrophobicContact CG1-CE2 3.89Å; V399-Y402 WeakPolarHBondContact CG2-OH 3.23Å; V399-Y402 PolarHBondContact O-N 2.72Å |
| 403 | T | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 13.8 | 171.4 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | I375 V399 F400 S405 F406 Y407 | I375-T403 HydrophobicContact CD1-CG2 4.04Å; I375-T403 HydrophobicContact CG2-CG2 4.03Å; V399-T403 HydrophobicContact CG1-CG2 3.74Å; V399-T403 WeakPolarHBondContact O-CG2 3.28Å; V399-T403 PolarHBondContact O-N 3.4Å; V399-T403 PolarHBondContact O-OG1 3.15Å; F400-T403 WeakPolarHBondContact CA-OG1 3.37Å; T403-S405 VanDerWaalsContact C-N 3.3Å; T403-S405 PolarHBondContact O-N 2.82Å; T403-F406 WeakPolarHBondContact O-CA 3.26Å; T403-F406 PolarHBondContact O-N 3.28Å; T403-F406 PolarHBondContact OG1-N 3.03Å; T403-Y407 HydrophobicContact CG2-CE2 4.35Å; T403-Y407 VanDerWaalsContact O-CD1 3.3Å; T403-Y407 WeakPolarHBondContact O-CD1 3.42Å; T403-Y407 WeakPolarHBondContact O-CE1 3.39Å; T403-Y407 PolarHBondContact O-N 2.88Å |
| 404 | E | 97.1 | Very high | 97.7 | Very high | 145 Ų | 145 | 22.9 Ų | 22.9 | 68% | 0.678 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 48.7 | -179.9 | -60.7 | 175.7 | -140.1 | 0 | 0 | 111.9 | F400 Y407 | F400-E404 PolarHBondContact O-N 2.98Å; E404-Y407 HydrophobicContact CB-CD1 4.41Å; E404-Y407 HydrophobicContact CB-CE1 4.48Å |
| 405 | S | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 52.3 | -171 | -155 | 0 | 0 | 0 | 0 | 113.1 | F400 T403 Y407 G408 F411 T446 | F400-S405 PolarHBondContact O-N 2.83Å; T403-S405 VanDerWaalsContact C-N 3.3Å; T403-S405 PolarHBondContact O-N 2.82Å; S405-Y407 PolarHBondContact O-N 3.49Å; S405-G408 PolarHBondContact O-N 2.93Å; S405-F411 VanDerWaalsContact OG-CE1 3.23Å; S405-F411 WeakPolarHBondContact OG-CE1 3.33Å; S405-T446 PolarHBondContact O-OG1 3.49Å; S405-T446 PolarHBondContact OG-N 3.44Å; S405-T446 PolarHBondContact OG-OG1 2.79Å |
| 406 | F | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | 53.4 | 38.4 | 178.7 | -62.7 | -80.7 | 0 | 0 | 0 | 114.1 | F363 L379 V389 D391 V399 F400 T403 G408 Q409 F411 | F363-F406 HydrophobicContact CD2-CE1 4.22Å; F363-F406 HydrophobicContact CE2-CD1 4.47Å; F363-F406 HydrophobicContact CE2-CE1 4.34Å; L379-F406 HydrophobicContact CD1-CB 4.04Å; L379-F406 HydrophobicContact CD1-CD1 4.11Å; V389-F406 HydrophobicContact CB-CD1 4.1Å; V389-F406 HydrophobicContact CB-CE1 4.23Å; V389-F406 HydrophobicContact CB-CG 4.24Å; V389-F406 HydrophobicContact CB-CZ 4.48Å; V389-F406 HydrophobicContact CG1-CD1 3.8Å; V389-F406 HydrophobicContact CG1-CE1 3.53Å; V389-F406 HydrophobicContact CG1-CG 4.4Å; V389-F406 HydrophobicContact CG1-CZ 3.91Å; V389-F406 HydrophobicContact CG2-CD1 4.21Å; V389-F406 HydrophobicContact CG2-CG 4.37Å; D391-F406 HydrophobicContact CB-CE2 3.88Å; D391-F406 HydrophobicContact CB-CZ 3.73Å; V399-F406 HydrophobicContact CB-CE1 3.99Å; V399-F406 HydrophobicContact CB-CZ 3.83Å; V399-F406 HydrophobicContact CG1-CE1 3.6Å; V399-F406 HydrophobicContact CG1-CZ 3.98Å; F400-F406 HydrophobicContact CB-CD2 4.01Å; F400-F406 HydrophobicContact CB-CE2 3.59Å; F400-F406 HydrophobicContact CB-CZ 4.39Å; T403-F406 WeakPolarHBondContact O-CA 3.26Å; T403-F406 PolarHBondContact O-N 3.28Å; T403-F406 PolarHBondContact OG1-N 3.03Å; F406-G408 PolarHBondContact O-N 3.35Å; F406-Q409 HydrophobicContact CB-CB 4.42Å; F406-Q409 PolarHBondContact O-N 2.96Å; F406-F411 HydrophobicContact CD2-CB 3.39Å; F406-F411 AromaticContact CD2-CD1 3.93Å; F406-F411 HydrophobicContact CD2-CD1 3.93Å; F406-F411 HydrophobicContact CD2-CD2 4.07Å; F406-F411 AromaticContact CD2-CG 3.54Å; F406-F411 HydrophobicContact CD2-CG 3.54Å; F406-F411 HydrophobicContact CE2-CB 3.55Å; F406-F411 HydrophobicContact CE2-CD1 4.32Å; F406-F411 AromaticContact CE2-CD2 3.62Å; F406-F411 HydrophobicContact CE2-CD2 3.62Å; F406-F411 HydrophobicContact CE2-CE2 4.36Å; F406-F411 AromaticContact CE2-CG 3.58Å; F406-F411 HydrophobicContact CE2-CG 3.58Å; F406-F411 HydrophobicContact CG-CB 4.34Å |
| 407 | Y | 97.9 | Very high | 97.9 | Very high | 36 Ų | 36 | 21.4 Ų | 21.4 | 14% | 0.141 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | 48.4 | 37.6 | 178.1 | -51.5 | -62.2 | 0 | 0 | 0 | 113.5 | I375 Q376 L379 H380 T403 E404 S405 | I375-Y407 HydrophobicContact CB-CE2 4.09Å; I375-Y407 HydrophobicContact CG2-CD2 4.26Å; I375-Y407 HydrophobicContact CG2-CE2 3.69Å; Q376-Y407 HydrophobicContact CB-CD2 3.89Å; Q376-Y407 HydrophobicContact CB-CE2 3.96Å; Q376-Y407 HydrophobicContact CB-CG 4.48Å; Q376-Y407 HydrophobicContact CG-CD2 4.15Å; Q376-Y407 HydrophobicContact CG-CG 4.29Å; L379-Y407 HydrophobicContact CD1-CD2 4.12Å; H380-Y407 PolarHBondContact NE2-O 2.98Å; T403-Y407 HydrophobicContact CG2-CE2 4.35Å; T403-Y407 VanDerWaalsContact O-CD1 3.3Å; T403-Y407 WeakPolarHBondContact O-CD1 3.42Å; T403-Y407 WeakPolarHBondContact O-CE1 3.39Å; T403-Y407 PolarHBondContact O-N 2.88Å; E404-Y407 HydrophobicContact CB-CD1 4.41Å; E404-Y407 HydrophobicContact CB-CE1 4.48Å; S405-Y407 PolarHBondContact O-N 3.49Å |
| 408 | G | 97.2 | Very high | 98.1 | Very high | 24 Ų | 24 | 19.5 Ų | 19.5 | 25% | 0.247 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | 95.4 | -7.3 | 176 | 0 | 0 | 0 | 0 | 0 | 116 | S405 F406 | S405-G408 PolarHBondContact O-N 2.93Å; F406-G408 PolarHBondContact O-N 3.35Å |
| 409 | Q | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -72.9 | 143.1 | 171.1 | -68.8 | -68.3 | 13.8 | 0 | 0 | 110.6 | L379 V382 P383 L384 M387 V389 F406 T446 | L379-Q409 HydrophobicContact CB-CG 4.32Å; L379-Q409 PolarHBondContact O-NE2 3.15Å; V382-Q409 PolarHBondContact O-NE2 2.94Å; P383-Q409 PolarHBondContact O-NE2 2.69Å; L384-Q409 HydrophobicContact CD2-CG 4.19Å; M387-Q409 PolarHBondContact O-OE1 3.38Å; V389-Q409 HydrophobicContact CG2-CB 4.49Å; F406-Q409 HydrophobicContact CB-CB 4.42Å; F406-Q409 PolarHBondContact O-N 2.96Å; Q409-T446 VanDerWaalsContact O-CB 3.27Å; Q409-T446 WeakPolarHBondContact O-CB 3.33Å; Q409-T446 PolarHBondContact O-OG1 2.59Å | ||
| 410 | P | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -64.2 | 145.9 | 173.7 | 25.3 | -32 | 0 | 0 | 0 | 111.2 | F24 L27 M387 I388 V389 T446 V448 | F24-P410 HydrophobicContact CD1-CG 4.43Å; F24-P410 HydrophobicContact CD2-CB 4.01Å; F24-P410 HydrophobicContact CE1-CB 4.44Å; F24-P410 HydrophobicContact CE1-CG 4.37Å; F24-P410 HydrophobicContact CE2-CB 3.76Å; F24-P410 HydrophobicContact CE2-CG 4.47Å; F24-P410 HydrophobicContact CG-CB 4.46Å; F24-P410 HydrophobicContact CG-CG 4.5Å; F24-P410 HydrophobicContact CZ-CB 3.99Å; F24-P410 HydrophobicContact CZ-CG 4.39Å; L27-P410 HydrophobicContact CD1-CB 4.48Å; L27-P410 HydrophobicContact CD1-CG 4.4Å; M387-P410 WeakPolarHBondContact O-CD 3.5Å; M387-P410 WeakPolarHBondContact O-CG 3.33Å; I388-P410 CarbonylContact C-O 3.53Å; I388-P410 VanDerWaalsContact CA-O 3.31Å; I388-P410 WeakPolarHBondContact CA-O 3.24Å; I388-P410 HydrophobicContact CG1-CB 4.49Å; I388-P410 HydrophobicContact CG1-CG 4.01Å; V389-P410 PolarHBondContact N-O 3.2Å; P410-T446 VanDerWaalsContact CA-O 3.28Å; P410-T446 WeakPolarHBondContact CA-O 3.4Å; P410-V448 HydrophobicContact CB-CB 4.41Å; P410-V448 HydrophobicContact CB-CG1 3.61Å; P410-V448 HydrophobicContact CB-CG2 3.88Å | ||
| 411 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 160.2 | 178 | 81.3 | -77.3 | 0 | 0 | 0 | 113.3 | V389 D391 F400 S405 F406 W413 A439 T446 L447 V448 | V389-F411 HydrophobicContact CB-CB 4.33Å; V389-F411 CarbonylContact O-C 3.57Å; V389-F411 WeakPolarHBondContact O-CA 3.44Å; V389-F411 VanDerWaalsContact O-CB 3.31Å; V389-F411 WeakPolarHBondContact O-CB 3.14Å; D391-F411 HydrophobicContact CB-CD2 4.03Å; F400-F411 HydrophobicContact CB-CD2 4.26Å; F400-F411 HydrophobicContact CB-CE1 4.31Å; F400-F411 HydrophobicContact CB-CE2 3.74Å; F400-F411 HydrophobicContact CB-CZ 3.77Å; F400-F411 AromaticContact CD1-CE2 3.91Å; F400-F411 HydrophobicContact CD1-CE2 3.91Å; F400-F411 HydrophobicContact CD1-CZ 4.17Å; F400-F411 HydrophobicContact CD2-CZ 4.17Å; F400-F411 AromaticContact CG-CE2 3.88Å; F400-F411 HydrophobicContact CG-CE2 3.88Å; F400-F411 AromaticContact CG-CZ 3.79Å; F400-F411 HydrophobicContact CG-CZ 3.79Å; S405-F411 VanDerWaalsContact OG-CE1 3.23Å; S405-F411 WeakPolarHBondContact OG-CE1 3.33Å; F406-F411 HydrophobicContact CD2-CB 3.39Å; F406-F411 AromaticContact CD2-CD1 3.93Å; F406-F411 HydrophobicContact CD2-CD1 3.93Å; F406-F411 HydrophobicContact CD2-CD2 4.07Å; F406-F411 AromaticContact CD2-CG 3.54Å; F406-F411 HydrophobicContact CD2-CG 3.54Å; F406-F411 HydrophobicContact CE2-CB 3.55Å; F406-F411 HydrophobicContact CE2-CD1 4.32Å; F406-F411 AromaticContact CE2-CD2 3.62Å; F406-F411 HydrophobicContact CE2-CD2 3.62Å; F406-F411 HydrophobicContact CE2-CE2 4.36Å; F406-F411 AromaticContact CE2-CG 3.58Å; F406-F411 HydrophobicContact CE2-CG 3.58Å; F406-F411 HydrophobicContact CG-CB 4.34Å; F411-W413 HydrophobicContact CE2-CB 4.32Å; F411-A439 HydrophobicContact CZ-CB 4.2Å; F411-T446 WeakPolarHBondContact CD1-OG1 3.38Å; F411-T446 PolarHBondContact N-O 3.3Å; F411-T446 VanDerWaalsContact N-O 3.13Å; F411-L447 HydrophobicContact CD1-CB 4.44Å; F411-L447 HydrophobicContact CD2-CD1 4.02Å; F411-L447 HydrophobicContact CE1-CB 3.76Å; F411-L447 HydrophobicContact CE1-CD1 4.12Å; F411-L447 VanDerWaalsContact CE1-N 3.34Å; F411-L447 HydrophobicContact CE2-CD1 3.52Å; F411-L447 HydrophobicContact CZ-CB 3.9Å; F411-L447 HydrophobicContact CZ-CD1 3.59Å; F411-L447 HydrophobicContact CZ-CG 4.36Å; F411-V448 WeakPolarHBondContact O-CG2 3.14Å; F411-V448 PolarHBondContact O-N 3.16Å |
| 412 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.6 | 173 | -62.1 | -179.6 | 0 | 0 | 0 | 107.5 | F138 L173 I388 V389 L390 D391 C414 V448 G449 I450 | F138-I412 HydrophobicContact CB-CD1 3.94Å; F138-I412 HydrophobicContact CD2-CD1 4.49Å; L173-I412 HydrophobicContact CD2-CD1 3.71Å; I388-I412 HydrophobicContact CG2-CD1 3.95Å; I388-I412 HydrophobicContact CG2-CG1 3.8Å; V389-I412 PolarHBondContact O-N 2.89Å; L390-I412 HydrophobicContact CD2-CB 3.94Å; L390-I412 HydrophobicContact CD2-CD1 4.04Å; L390-I412 HydrophobicContact CD2-CG1 4.41Å; L390-I412 HydrophobicContact CD2-CG2 4.33Å; D391-I412 PolarHBondContact N-O 3.43Å; I412-C414 PolarHBondContact O-N 3.42Å; I412-V448 HydrophobicContact CG1-CG2 4.15Å; I412-G449 WeakPolarHBondContact CA-O 3.44Å; I412-I450 VanDerWaalsContact CG2-C 3.41Å |
| 413 | W | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 11 Ų | 11 | 1% | 0.011 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 115.6 | 173.3 | -172.9 | 97.2 | 0 | 0 | 0 | 108.7 | A394 E395 F400 F411 M415 P436 A439 L447 G449 I450 G451 M467 | A394-W413 VanDerWaalsContact CB-CD1 3.43Å; A394-W413 HydrophobicContact CB-CD2 3.89Å; A394-W413 HydrophobicContact CB-CG 3.81Å; A394-W413 HydrophobicContact CB-CZ2 4.25Å; A394-W413 VanDerWaalsContact CB-NE1 3.28Å; A394-W413 WeakPolarHBondContact O-CZ2 3.44Å; A394-W413 PolarHBondContact O-NE1 3.39Å; E395-W413 HydrophobicContact CB-CH2 3.64Å; E395-W413 HydrophobicContact CB-CZ2 3.96Å; F400-W413 AromaticContact CE1-CD1 3.87Å; F411-W413 HydrophobicContact CE2-CB 4.32Å; W413-M415 HydrophobicContact CZ3-CB 4.09Å; W413-P436 HydrophobicContact CD2-CG 4.16Å; W413-P436 HydrophobicContact CE3-CG 3.79Å; W413-P436 HydrophobicContact CH2-CG 4.33Å; W413-P436 HydrophobicContact CZ3-CG 3.9Å; W413-A439 HydrophobicContact CG-CB 4.36Å; W413-L447 HydrophobicContact CB-CD1 3.71Å; W413-G449 PolarHBondContact N-O 3.22Å; W413-G449 VanDerWaalsContact N-O 3.11Å; W413-I450 CarbonylContact O-C 3.6Å; W413-I450 WeakPolarHBondContact O-CA 3.06Å; W413-G451 PolarHBondContact O-N 2.86Å; W413-M467 HydrophobicContact CE3-CE 3.57Å; W413-M467 HydrophobicContact CE3-SD 4.46Å; W413-M467 HydrophobicContact CZ3-CE 3.45Å; W413-M467 VanDerWaalsContact CZ3-CE 3.45Å; W413-M467 HydrophobicContact CZ3-SD 3.78Å |
| 414 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.8 | -177.5 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | D391 A394 I412 G451 T453 | D391-C414 VanDerWaalsContact O-CB 3.28Å; D391-C414 WeakPolarHBondContact O-CB 3.32Å; D391-C414 PolarHBondContact O-N 3.4Å; A394-C414 WeakPolarHBondContact CB-O 3.3Å; A394-C414 PolarHBondContact N-O 3.42Å; I412-C414 PolarHBondContact O-N 3.42Å; C414-G451 WeakPolarHBondContact CA-O 3.49Å; C414-T453 HydrophobicContact CB-CG2 3.72Å; C414-T453 WeakPolarHBondContact CB-OG1 3.41Å |
| 415 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.3 | 164.2 | -179.4 | -168.6 | 78.7 | 0 | 0 | 108.9 | E395 W413 N417 I432 G451 M452 T453 I463 Y464 M467 | E395-M415 HydrophobicContact CB-CG 4.43Å; E395-M415 HydrophobicContact CG-CG 4.18Å; E395-M415 WeakPolarHBondContact OE2-CA 3.36Å; W413-M415 HydrophobicContact CZ3-CB 4.09Å; M415-N417 HydrophobicContact CE-CB 4.02Å; M415-N417 HydrophobicContact CG-CB 3.89Å; M415-N417 HydrophobicContact SD-CB 4.19Å; M415-I432 HydrophobicContact CG-CD1 4.15Å; M415-I432 HydrophobicContact CG-CG1 4.13Å; M415-I432 HydrophobicContact SD-CD1 3.46Å; M415-I432 WeakPolarHBondContact SD-CD1 3.45Å; M415-I432 HydrophobicContact SD-CG1 3.85Å; M415-I432 HydrophobicContact SD-CG2 4.23Å; M415-G451 PolarHBondContact N-O 3.06Å; M415-M452 HydrophobicContact CE-CG 4.21Å; M415-T453 PolarHBondContact O-N 2.97Å; M415-T453 PolarHBondContact O-OG1 3.34Å; M415-I463 HydrophobicContact CE-CG2 3.76Å; M415-I463 HydrophobicContact SD-CG2 3.48Å; M415-I463 WeakPolarHBondContact SD-CG2 3.37Å; M415-Y464 HydrophobicContact CE-CD1 3.64Å; M415-Y464 HydrophobicContact CE-CE1 3.66Å; M415-Y464 HydrophobicContact CE-CG 4.4Å; M415-M467 HydrophobicContact CB-CE 4.32Å; M415-M467 HydrophobicContact CB-CG 4.05Å; M415-M467 HydrophobicContact CB-SD 4.19Å; M415-M467 HydrophobicContact CE-CB 3.88Å; M415-M467 HydrophobicContact CE-CG 4.09Å; M415-M467 HydrophobicContact SD-CB 3.78Å; M415-M467 HydrophobicContact SD-CG 3.98Å |
| 416 | L | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | trans | -76.8 | -54.3 | 175.7 | -158.2 | 153.6 | 0 | 0 | 0 | 110.1 | W361 L392 F393 E395 N418 F419 T453 P454 | W361-L416 HydrophobicContact CE3-CD1 4.34Å; W361-L416 HydrophobicContact CZ3-CD1 4.1Å; L392-L416 HydrophobicContact CD2-CD1 4.3Å; L392-L416 HydrophobicContact CG-CD1 4.33Å; L392-L416 VanDerWaalsContact O-CB 3.31Å; L392-L416 WeakPolarHBondContact O-CB 3.49Å; F393-L416 HydrophobicContact CB-CB 4.22Å; F393-L416 HydrophobicContact CB-CD1 3.98Å; F393-L416 HydrophobicContact CD2-CB 3.55Å; F393-L416 HydrophobicContact CD2-CD1 4.33Å; F393-L416 HydrophobicContact CD2-CG 4.44Å; F393-L416 HydrophobicContact CE2-CB 4.29Å; F393-L416 HydrophobicContact CG-CB 4.23Å; F393-L416 HydrophobicContact CG-CD1 4.26Å; E395-L416 PolarHBondContact OE1-N 2.89Å; E395-L416 PolarHBondContact OE2-N 3.29Å; L416-N418 WeakPolarHBondContact CD2-O 3.31Å; L416-N418 PolarHBondContact O-N 3.08Å; L416-F419 HydrophobicContact CD1-CE1 3.92Å; L416-F419 HydrophobicContact CD1-CZ 3.85Å; L416-F419 HydrophobicContact CD2-CD1 3.9Å; L416-F419 HydrophobicContact CD2-CD2 3.84Å; L416-F419 HydrophobicContact CD2-CE1 3.58Å; L416-F419 HydrophobicContact CD2-CE2 3.51Å; L416-F419 HydrophobicContact CD2-CG 4.02Å; L416-F419 HydrophobicContact CD2-CZ 3.37Å; L416-F419 HydrophobicContact CG-CE1 4.41Å; L416-F419 HydrophobicContact CG-CZ 4.16Å; L416-T453 WeakPolarHBondContact CA-OG1 3.49Å; L416-P454 WeakPolarHBondContact O-CA 3.31Å | ||
| 417 | N | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.031 | C | C | . | . | trans | 58.8 | -48.9 | 178.4 | 176.8 | -98 | 0 | 0 | 0 | 116.7 | E395 M415 F426 Y464 N519 | E395-N417 WeakPolarHBondContact OE1-CA 3.33Å; E395-N417 PolarHBondContact OE1-N 2.64Å; M415-N417 HydrophobicContact CE-CB 4.02Å; M415-N417 HydrophobicContact CG-CB 3.89Å; M415-N417 HydrophobicContact SD-CB 4.19Å; N417-F426 WeakPolarHBondContact ND2-CD1 3.47Å; N417-Y464 PolarHBondContact OD1-OH 2.71Å; N417-N519 VanDerWaalsContact O-CB 3.28Å; N417-N519 WeakPolarHBondContact O-CB 3.36Å; N417-N519 PolarHBondContact O-ND2 3.18Å | ||
| 418 | N | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 3% | 0.026 | C | C | . | . | trans | -119.8 | 130.8 | -171.3 | -175.1 | -84.7 | 0 | 0 | 0 | 111.9 | L416 G421 N422 P454 E455 G456 Q459 | L416-N418 WeakPolarHBondContact CD2-O 3.31Å; L416-N418 PolarHBondContact O-N 3.08Å; N418-G421 WeakPolarHBondContact OD1-CA 3.02Å; N418-G421 PolarHBondContact OD1-N 3.26Å; N418-N422 PolarHBondContact ND2-O 3.29Å; N418-P454 HydrophobicContact CB-CB 4.08Å; N418-E455 WeakPolarHBondContact O-CB 3.42Å; N418-E455 PolarHBondContact O-N 2.95Å; N418-G456 PolarHBondContact OD1-N 3.04Å; N418-G456 PolarHBondContact OD1-O 3.1Å; N418-G456 VanDerWaalsContact OD1-O 3.12Å; N418-Q459 VanDerWaalsContact CB-NE2 3.3Å; N418-Q459 VanDerWaalsContact CG-NE2 3.35Å; N418-Q459 WeakPolarHBondContact ND2-CG 3.49Å; N418-Q459 PolarHBondContact ND2-NE2 3.37Å; N418-Q459 PolarHBondContact ND2-OE1 3.12Å | ||
| 419 | F | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 2.3 Ų | 2.3 | 1% | 0.009 | 2% | 0.015 | C | C | . | . | S | Bend | trans | -113.4 | 139 | 172 | -62.1 | -97.4 | 0 | 0 | 0 | 110.9 | W361 F393 L416 G421 N422 E455 V518 N519 H520 | W361-F419 AromaticContact CH2-CE1 3.84Å; W361-F419 HydrophobicContact CH2-CE1 3.84Å; W361-F419 HydrophobicContact CH2-CZ 4.28Å; W361-F419 HydrophobicContact CZ3-CE1 4.3Å; W361-F419 HydrophobicContact CZ3-CZ 4.48Å; F393-F419 HydrophobicContact CD1-CZ 4.46Å; F393-F419 HydrophobicContact CD2-CZ 4.42Å; F393-F419 HydrophobicContact CE1-CZ 4.18Å; F393-F419 HydrophobicContact CE2-CE2 4.05Å; F393-F419 HydrophobicContact CE2-CZ 4.13Å; F393-F419 AromaticContact CZ-CE2 3.98Å; F393-F419 HydrophobicContact CZ-CE2 3.98Å; F393-F419 AromaticContact CZ-CZ 3.99Å; F393-F419 HydrophobicContact CZ-CZ 3.99Å; L416-F419 HydrophobicContact CD1-CE1 3.92Å; L416-F419 HydrophobicContact CD1-CZ 3.85Å; L416-F419 HydrophobicContact CD2-CD1 3.9Å; L416-F419 HydrophobicContact CD2-CD2 3.84Å; L416-F419 HydrophobicContact CD2-CE1 3.58Å; L416-F419 HydrophobicContact CD2-CE2 3.51Å; L416-F419 HydrophobicContact CD2-CG 4.02Å; L416-F419 HydrophobicContact CD2-CZ 3.37Å; L416-F419 HydrophobicContact CG-CE1 4.41Å; L416-F419 HydrophobicContact CG-CZ 4.16Å; F419-G421 PolarHBondContact O-N 2.92Å; F419-G421 VanDerWaalsContact O-N 3.12Å; F419-N422 WeakPolarHBondContact O-CB 3.43Å; F419-N422 PolarHBondContact O-N 3.35Å; F419-N422 VanDerWaalsContact O-N 3.16Å; F419-N422 PolarHBondContact O-ND2 3.03Å; F419-E455 HydrophobicContact CD1-CG 4.44Å; F419-V518 HydrophobicContact CD1-CG1 4.2Å; F419-V518 HydrophobicContact CD2-CG1 3.76Å; F419-V518 HydrophobicContact CE1-CG1 3.93Å; F419-V518 HydrophobicContact CE2-CB 4.47Å; F419-V518 HydrophobicContact CE2-CG1 3.45Å; F419-V518 VanDerWaalsContact CE2-CG1 3.45Å; F419-V518 HydrophobicContact CG-CG1 4.13Å; F419-V518 HydrophobicContact CZ-CG1 3.55Å; F419-N519 HydrophobicContact CD2-CB 4.33Å; F419-H520 WeakPolarHBondContact CB-CE1 3.44Å; F419-H520 VanDerWaalsContact CB-ND1 3.29Å; F419-H520 WeakPolarHBondContact CB-ND1 3.24Å; F419-H520 AromaticContact CD1-CE1 3.75Å; F419-H520 AromaticContact CD1-NE2 3.76Å; F419-H520 AromaticContact CG-CE1 3.61Å; F419-H520 AromaticContact CG-NE2 3.77Å |
| 420 | G | 98 | Very high | 98.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 0.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | N422 E455 A667 K669 | G420-N422 VanDerWaalsContact C-N 3.25Å; G420-E455 PolarHBondContact N-OE2 3.08Å; G420-A667 VanDerWaalsContact O-CA 3.29Å; G420-A667 WeakPolarHBondContact O-CA 3.46Å; G420-A667 VanDerWaalsContact O-CB 3.25Å; G420-A667 WeakPolarHBondContact O-CB 3.16Å; G420-K669 PolarHBondContact O-NZ 3.17Å |
| 421 | G | 98.2 | Very high | 98.2 | Very high | 5 Ų | 5 | 9 Ų | 9 | 5% | 0.052 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 25.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N418 F419 K669 | N418-G421 WeakPolarHBondContact OD1-CA 3.02Å; N418-G421 PolarHBondContact OD1-N 3.26Å; F419-G421 PolarHBondContact O-N 2.92Å; F419-G421 VanDerWaalsContact O-N 3.12Å; G421-K669 VanDerWaalsContact O-CD 3.23Å; G421-K669 WeakPolarHBondContact O-CD 3.15Å; G421-K669 WeakPolarHBondContact O-CE 3.48Å; G421-K669 PolarHBondContact O-NZ 3.37Å |
| 422 | N | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 9 Ų | 9 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | trans | -67.3 | 138.6 | -173.9 | -66.1 | -20.8 | 0 | 0 | 0 | 111.3 | N418 F419 G420 N521 Y666 A667 N668 | N418-N422 PolarHBondContact ND2-O 3.29Å; F419-N422 WeakPolarHBondContact O-CB 3.43Å; F419-N422 PolarHBondContact O-N 3.35Å; F419-N422 VanDerWaalsContact O-N 3.16Å; F419-N422 PolarHBondContact O-ND2 3.03Å; G420-N422 VanDerWaalsContact C-N 3.25Å; N422-N521 HydrophobicContact CB-CB 4Å; N422-N521 PolarHBondContact ND2-N 3.45Å; N422-Y666 PolarHBondContact ND2-O 3.47Å; N422-Y666 PolarHBondContact OD1-O 3.44Å; N422-A667 WeakPolarHBondContact OD1-CA 3.22Å; N422-N668 WeakPolarHBondContact CA-O 3.39Å; N422-N668 PolarHBondContact OD1-N 2.78Å; N422-N668 VanDerWaalsContact OD1-N 3.08Å; N422-N668 PolarHBondContact OD1-ND2 2.9Å; N422-N668 PolarHBondContact OD1-O 3.34Å | ||
| 423 | N | 97.9 | Very high | 98.2 | Very high | 10 Ų | 10 | 9.3 Ų | 9.3 | 5% | 0.053 | 5% | 0.053 | C | C | . | . | trans | -76.7 | 158.1 | 168.1 | -62.3 | 105.3 | 0 | 0 | 0 | 110.5 | N521 Q670 | N423-N521 PolarHBondContact O-ND2 3.04Å; N423-Q670 HydrophobicContact CB-CB 4.08Å; N423-Q670 HydrophobicContact CB-CG 4.38Å; N423-Q670 PolarHBondContact OD1-N 3.28Å | ||
| 424 | G | 96.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 10.4 Ų | 10.4 | 8% | 0.082 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 140.5 | 150.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N460 | G424-N460 PolarHBondContact O-ND2 3.09Å; G424-N460 PolarHBondContact O-OD1 3.11Å |
| 425 | F | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 10.8 Ų | 10.8 | 2% | 0.018 | 7% | 0.065 | C | C | . | . | trans | -80.1 | 122.6 | 169.1 | -71.3 | -16.2 | 0 | 0 | 0 | 110.4 | L505 V509 Y510 W538 L544 D570 V571 Q574 | F425-L505 HydrophobicContact CD2-CD2 4.18Å; F425-L505 HydrophobicContact CE2-CD1 4.41Å; F425-L505 HydrophobicContact CE2-CD2 4.06Å; F425-V509 HydrophobicContact CB-CB 3.67Å; F425-V509 HydrophobicContact CB-CG1 4.2Å; F425-V509 HydrophobicContact CB-CG2 3.66Å; F425-V509 HydrophobicContact CD2-CB 4.49Å; F425-V509 HydrophobicContact CD2-CG2 3.87Å; F425-V509 HydrophobicContact CG-CG2 4.13Å; F425-Y510 WeakPolarHBondContact CD1-OH 3.34Å; F425-W538 WeakPolarHBondContact O-CZ2 3.47Å; F425-L544 HydrophobicContact CD2-CD1 4.18Å; F425-L544 HydrophobicContact CE2-CD1 4.32Å; F425-D570 HydrophobicContact CE1-CB 3.88Å; F425-D570 WeakPolarHBondContact CE1-OD2 3.35Å; F425-D570 HydrophobicContact CZ-CB 4.08Å; F425-V571 HydrophobicContact CE2-CB 4.23Å; F425-V571 HydrophobicContact CE2-CG2 3.72Å; F425-V571 HydrophobicContact CZ-CB 4.26Å; F425-V571 HydrophobicContact CZ-CG2 3.63Å; F425-Q574 HydrophobicContact CB-CG 4.16Å; F425-Q574 HydrophobicContact CD2-CB 3.84Å; F425-Q574 HydrophobicContact CD2-CG 3.7Å; F425-Q574 HydrophobicContact CE2-CB 4.06Å; F425-Q574 HydrophobicContact CE2-CG 4.39Å; F425-Q574 HydrophobicContact CG-CB 4.28Å; F425-Q574 HydrophobicContact CG-CG 4.04Å | ||
| 426 | F | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | trans | -155 | 145.8 | 174.5 | 171.9 | -93.2 | 0 | 0 | 0 | 111.1 | N417 T428 V509 Y510 C512 Y517 N519 W538 | N417-F426 WeakPolarHBondContact ND2-CD1 3.47Å; F426-T428 HydrophobicContact CE1-CG2 4.34Å; F426-T428 HydrophobicContact CE2-CG2 4.4Å; F426-T428 HydrophobicContact CZ-CG2 3.73Å; F426-V509 WeakPolarHBondContact CA-O 3.37Å; F426-Y510 VanDerWaalsContact O-CD1 3.3Å; F426-Y510 WeakPolarHBondContact O-CD1 3.5Å; F426-C512 HydrophobicContact CD2-CB 4.28Å; F426-C512 HydrophobicContact CE2-CB 3.66Å; F426-C512 HydrophobicContact CZ-CB 4.45Å; F426-Y517 HydrophobicContact CD2-CD1 4.25Å; F426-Y517 HydrophobicContact CD2-CE1 4.14Å; F426-Y517 AromaticContact CE2-CD1 3.48Å; F426-Y517 HydrophobicContact CE2-CD1 3.48Å; F426-Y517 VanDerWaalsContact CE2-CD1 3.48Å; F426-Y517 AromaticContact CE2-CE1 3.84Å; F426-Y517 HydrophobicContact CE2-CE1 3.84Å; F426-Y517 HydrophobicContact CE2-CG 4.47Å; F426-Y517 HydrophobicContact CZ-CD1 4.17Å; F426-N519 HydrophobicContact CB-CB 4.47Å; F426-N519 VanDerWaalsContact CB-CG 3.43Å; F426-N519 WeakPolarHBondContact CB-ND2 3.33Å; F426-N519 VanDerWaalsContact CB-OD1 3.22Å; F426-N519 WeakPolarHBondContact CB-OD1 3.02Å; F426-N519 HydrophobicContact CD1-CB 3.42Å; F426-N519 VanDerWaalsContact CD1-CB 3.42Å; F426-N519 WeakPolarHBondContact CD1-ND2 3.38Å; F426-N519 HydrophobicContact CD2-CB 3.91Å; F426-N519 HydrophobicContact CE1-CB 3.44Å; F426-N519 VanDerWaalsContact CE1-CB 3.44Å; F426-N519 HydrophobicContact CE2-CB 3.94Å; F426-N519 HydrophobicContact CG-CB 3.66Å; F426-N519 VanDerWaalsContact CG-ND2 3.33Å; F426-N519 WeakPolarHBondContact CG-ND2 3.32Å; F426-N519 VanDerWaalsContact CG-OD1 3.24Å; F426-N519 WeakPolarHBondContact CG-OD1 3.41Å; F426-N519 HydrophobicContact CZ-CB 3.7Å; F426-W538 HydrophobicContact CB-CH2 4.45Å; F426-W538 HydrophobicContact CB-CZ2 4.18Å; F426-W538 HydrophobicContact CD2-CH2 4Å; F426-W538 AromaticContact CD2-CZ2 3.68Å; F426-W538 HydrophobicContact CD2-CZ2 3.68Å; F426-W538 HydrophobicContact CG-CZ2 4.42Å | ||
| 427 | G | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -168.6 | 168.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V509 Y510 N511 C512 | G427-V509 PolarHBondContact N-O 3.08Å; G427-Y510 VanDerWaalsContact C-C 3.49Å; G427-Y510 CarbonylContact C-O 3.57Å; G427-Y510 WeakPolarHBondContact CA-O 3.4Å; G427-Y510 CarbonylContact O-C 3.47Å; G427-N511 PolarHBondContact O-N 3.49Å; G427-C512 WeakPolarHBondContact O-CB 2.94Å; G427-C512 PolarHBondContact O-N 2.79Å | ||
| 428 | T | 97.9 | Very high | 98 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 5% | 0.049 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -125.3 | 53 | 171.6 | 52.7 | 0 | 0 | 0 | 0 | 108.5 | E395 F426 E430 S431 I432 Y510 C512 | E395-T428 VanDerWaalsContact CG-OG1 3.32Å; E395-T428 WeakPolarHBondContact CG-OG1 3.41Å; F426-T428 HydrophobicContact CE1-CG2 4.34Å; F426-T428 HydrophobicContact CE2-CG2 4.4Å; F426-T428 HydrophobicContact CZ-CG2 3.73Å; T428-E430 PolarHBondContact O-N 3Å; T428-S431 WeakPolarHBondContact O-CA 3.44Å; T428-S431 WeakPolarHBondContact O-CB 3.27Å; T428-S431 PolarHBondContact O-N 3.2Å; T428-I432 PolarHBondContact O-N 3.48Å; T428-Y510 PolarHBondContact N-O 2.79Å; T428-C512 HydrophobicContact CG2-CB 4.23Å; T428-C512 WeakPolarHBondContact CG2-O 3.44Å |
| 429 | V | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.3 | -35.9 | -165.4 | -71.2 | 0 | 0 | 0 | 0 | 114 | N433 I463 L466 L479 F506 Y510 N511 | V429-N433 WeakPolarHBondContact O-CB 3.47Å; V429-N433 PolarHBondContact O-N 2.87Å; V429-I463 HydrophobicContact CG1-CD1 3.54Å; V429-L466 HydrophobicContact CB-CD2 4.26Å; V429-L466 HydrophobicContact CG1-CD2 4.14Å; V429-L479 HydrophobicContact CB-CD1 4.2Å; V429-L479 HydrophobicContact CB-CD2 4.26Å; V429-L479 HydrophobicContact CG2-CD1 4.02Å; V429-F506 HydrophobicContact CB-CD1 4.47Å; V429-F506 HydrophobicContact CB-CE1 4.36Å; V429-F506 HydrophobicContact CG1-CD1 4.13Å; V429-F506 HydrophobicContact CG1-CE1 3.79Å; V429-F506 HydrophobicContact CG1-CZ 3.97Å; V429-F506 HydrophobicContact CG2-CD1 4.37Å; V429-Y510 VanDerWaalsContact CG1-O 3.31Å; V429-Y510 WeakPolarHBondContact CG1-O 3.29Å; V429-Y510 WeakPolarHBondContact CG2-O 3.3Å; V429-Y510 PolarHBondContact N-O 2.8Å; V429-N511 HydrophobicContact CG2-CB 3.87Å |
| 430 | E | 97.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 20.3 Ų | 20.3 | 46% | 0.463 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -68.5 | -41 | 175.5 | -72.4 | -69.2 | -179.6 | 0 | 0 | 112.8 | T428 S434 L479 N511 | T428-E430 PolarHBondContact O-N 3Å; E430-S434 WeakPolarHBondContact O-CB 3.27Å; E430-S434 PolarHBondContact O-N 3.46Å; E430-S434 PolarHBondContact O-OG 3.22Å; E430-L479 HydrophobicContact CG-CD1 4.08Å; E430-N511 WeakPolarHBondContact CG-OD1 3.47Å |
| 431 | S | 97.3 | Very high | 97.7 | Very high | 41 Ų | 41 | 25.7 Ų | 25.7 | 29% | 0.287 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -67.3 | -44.8 | 176.1 | -168.1 | 0 | 0 | 0 | 0 | 111 | E395 T428 N433 S434 G435 | E395-S431 VanDerWaalsContact O-CB 3.23Å; E395-S431 WeakPolarHBondContact O-CB 3.36Å; E395-S431 PolarHBondContact O-OG 3.03Å; T428-S431 WeakPolarHBondContact O-CA 3.44Å; T428-S431 WeakPolarHBondContact O-CB 3.27Å; T428-S431 PolarHBondContact O-N 3.2Å; S431-N433 PolarHBondContact O-N 2.98Å; S431-S434 PolarHBondContact O-N 3.19Å; S431-G435 VanDerWaalsContact O-CA 3.29Å; S431-G435 WeakPolarHBondContact O-CA 3.34Å; S431-G435 PolarHBondContact O-N 3.17Å |
| 432 | I | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 176.1 | -65.8 | 160.2 | 0 | 0 | 0 | 110.7 | E395 M415 T428 S434 P436 I463 L466 M467 L470 | E395-I432 HydrophobicContact CB-CG1 3.96Å; E395-I432 HydrophobicContact CG-CG1 4.36Å; M415-I432 HydrophobicContact CG-CD1 4.15Å; M415-I432 HydrophobicContact CG-CG1 4.13Å; M415-I432 HydrophobicContact SD-CD1 3.46Å; M415-I432 WeakPolarHBondContact SD-CD1 3.45Å; M415-I432 HydrophobicContact SD-CG1 3.85Å; M415-I432 HydrophobicContact SD-CG2 4.23Å; T428-I432 PolarHBondContact O-N 3.48Å; I432-S434 VanDerWaalsContact C-N 3.33Å; I432-S434 PolarHBondContact O-N 2.99Å; I432-P436 WeakPolarHBondContact O-CD 3.44Å; I432-I463 HydrophobicContact CD1-CG2 3.76Å; I432-L466 HydrophobicContact CG2-CD2 4.21Å; I432-L466 HydrophobicContact CG2-CG 4.35Å; I432-M467 HydrophobicContact CG2-CB 4.29Å; I432-M467 HydrophobicContact CG2-SD 3.98Å; I432-L470 HydrophobicContact CG2-CD1 3.85Å; I432-L470 WeakPolarHBondContact O-CD1 3.44Å |
| 433 | N | 98.6 | Very high | 97.5 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68 | -29.1 | -178 | -170.8 | 42.5 | 0 | 0 | 0 | 113.6 | V429 S431 F437 P476 V477 L479 | V429-N433 WeakPolarHBondContact O-CB 3.47Å; V429-N433 PolarHBondContact O-N 2.87Å; S431-N433 PolarHBondContact O-N 2.98Å; N433-F437 VanDerWaalsContact O-CD2 3.27Å; N433-F437 WeakPolarHBondContact O-CD2 3.21Å; N433-F437 VanDerWaalsContact O-CE2 3.23Å; N433-F437 WeakPolarHBondContact O-CE2 3.35Å; N433-P476 WeakPolarHBondContact O-CB 3.45Å; N433-V477 PolarHBondContact ND2-O 3.23Å; N433-V477 WeakPolarHBondContact OD1-CG2 3.25Å; N433-V477 PolarHBondContact OD1-N 3.09Å; N433-L479 HydrophobicContact CB-CD1 4.32Å; N433-L479 HydrophobicContact CB-CD2 4.04Å; N433-L479 HydrophobicContact CB-CG 4.36Å |
| 434 | S | 97.9 | Very high | 97.4 | Very high | 26 Ų | 26 | 39 Ų | 39 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -104.1 | -26 | -177.8 | 66.4 | 0 | 0 | 0 | 0 | 114.6 | E430 S431 I432 F437 K438 | E430-S434 WeakPolarHBondContact O-CB 3.27Å; E430-S434 PolarHBondContact O-N 3.46Å; E430-S434 PolarHBondContact O-OG 3.22Å; S431-S434 PolarHBondContact O-N 3.19Å; I432-S434 VanDerWaalsContact C-N 3.33Å; I432-S434 PolarHBondContact O-N 2.99Å; S434-F437 PolarHBondContact O-N 3.48Å; S434-K438 WeakPolarHBondContact O-CG 3.35Å; S434-K438 PolarHBondContact O-N 3.28Å; S434-K438 PolarHBondContact OG-NZ 3.44Å |
| 435 | G | 98 | Very high | 97.4 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -55.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | S431 F437 K438 A439 | S431-G435 VanDerWaalsContact O-CA 3.29Å; S431-G435 WeakPolarHBondContact O-CA 3.34Å; S431-G435 PolarHBondContact O-N 3.17Å; G435-F437 VanDerWaalsContact C-N 3.25Å; G435-F437 PolarHBondContact O-N 2.73Å; G435-K438 WeakPolarHBondContact O-CB 3.12Å; G435-K438 PolarHBondContact O-N 2.94Å; G435-K438 VanDerWaalsContact O-N 3.11Å; G435-A439 PolarHBondContact O-N 3.24Å |
| 436 | P | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.8 | -40.1 | 178 | -31.1 | 38 | 0 | 0 | 0 | 113.9 | W413 I432 A439 L440 I450 | W413-P436 HydrophobicContact CD2-CG 4.16Å; W413-P436 HydrophobicContact CE3-CG 3.79Å; W413-P436 HydrophobicContact CH2-CG 4.33Å; W413-P436 HydrophobicContact CZ3-CG 3.9Å; I432-P436 WeakPolarHBondContact O-CD 3.44Å; P436-A439 PolarHBondContact O-N 2.97Å; P436-L440 WeakPolarHBondContact O-CB 3.27Å; P436-L440 PolarHBondContact O-N 3.06Å; P436-I450 HydrophobicContact CB-CG2 4.02Å; P436-I450 HydrophobicContact CG-CG2 4.42Å |
| 437 | F | 97.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.3 | -36.8 | -179.8 | -52.5 | -76.8 | 0 | 0 | 0 | 111.7 | N433 S434 G435 A439 L440 H441 L470 R473 K474 E475 P476 | N433-F437 VanDerWaalsContact O-CD2 3.27Å; N433-F437 WeakPolarHBondContact O-CD2 3.21Å; N433-F437 VanDerWaalsContact O-CE2 3.23Å; N433-F437 WeakPolarHBondContact O-CE2 3.35Å; S434-F437 PolarHBondContact O-N 3.48Å; G435-F437 VanDerWaalsContact C-N 3.25Å; G435-F437 PolarHBondContact O-N 2.73Å; F437-A439 VanDerWaalsContact C-N 3.35Å; F437-L440 PolarHBondContact O-N 3.19Å; F437-H441 PolarHBondContact O-N 3.32Å; F437-H441 PolarHBondContact O-ND1 2.79Å; F437-L470 HydrophobicContact CE2-CD2 4.09Å; F437-L470 HydrophobicContact CZ-CD2 4.3Å; F437-R473 HydrophobicContact CZ-CB 4.24Å; F437-K474 WeakPolarHBondContact CD1-O 3.43Å; F437-K474 WeakPolarHBondContact CE1-O 3.34Å; F437-E475 WeakPolarHBondContact CZ-O 3.47Å; F437-P476 HydrophobicContact CD2-CB 4.35Å; F437-P476 HydrophobicContact CD2-CG 3.56Å; F437-P476 HydrophobicContact CE2-CB 4.24Å; F437-P476 HydrophobicContact CE2-CG 3.89Å; F437-P476 HydrophobicContact CG-CG 4.17Å |
| 438 | K | 97.3 | Very high | 97.4 | Very high | 134 Ų | 134 | 41.3 Ų | 41.3 | 58% | 0.583 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.3 | -43.3 | 171.3 | -72.8 | 168.5 | 178.5 | 162.9 | 0 | 111.2 | S434 G435 H441 F442 | S434-K438 WeakPolarHBondContact O-CG 3.35Å; S434-K438 PolarHBondContact O-N 3.28Å; S434-K438 PolarHBondContact OG-NZ 3.44Å; G435-K438 WeakPolarHBondContact O-CB 3.12Å; G435-K438 PolarHBondContact O-N 2.94Å; G435-K438 VanDerWaalsContact O-N 3.11Å; K438-H441 PolarHBondContact O-N 2.82Å; K438-F442 PolarHBondContact O-N 3.06Å |
| 439 | A | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F400 F411 W413 G435 P436 F437 H441 F442 S445 L447 | F400-A439 HydrophobicContact CE1-CB 3.89Å; F400-A439 HydrophobicContact CE2-CB 4.28Å; F400-A439 HydrophobicContact CZ-CB 3.76Å; F411-A439 HydrophobicContact CZ-CB 4.2Å; W413-A439 HydrophobicContact CG-CB 4.36Å; G435-A439 PolarHBondContact O-N 3.24Å; P436-A439 PolarHBondContact O-N 2.97Å; F437-A439 VanDerWaalsContact C-N 3.35Å; A439-H441 VanDerWaalsContact C-N 3.35Å; A439-H441 PolarHBondContact O-N 2.86Å; A439-F442 WeakPolarHBondContact O-CB 3.3Å; A439-F442 PolarHBondContact O-N 2.99Å; A439-S445 VanDerWaalsContact O-CB 3.24Å; A439-S445 WeakPolarHBondContact O-CB 3.21Å; A439-S445 PolarHBondContact O-OG 3.4Å; A439-L447 HydrophobicContact CB-CD1 4.34Å; A439-L447 HydrophobicContact CB-CD2 4.16Å |
| 440 | L | 95.6 | Very high | 97.4 | Very high | 59 Ų | 59 | 41 Ų | 41 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64 | -38 | 177.5 | -176.9 | 64.4 | 0 | 0 | 0 | 112.7 | P436 F437 L447 | P436-L440 WeakPolarHBondContact O-CB 3.27Å; P436-L440 PolarHBondContact O-N 3.06Å; F437-L440 PolarHBondContact O-N 3.19Å; L440-L447 HydrophobicContact CB-CD2 3.92Å; L440-L447 HydrophobicContact CD1-CD2 4.22Å |
| 441 | H | 95.8 | Very high | 97.4 | Very high | 113 Ų | 113 | 36.5 Ų | 36.5 | 52% | 0.523 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 4.3 | -179.5 | -62.9 | 98.8 | 0 | 0 | 0 | 113.8 | F437 K438 A439 | F437-H441 PolarHBondContact O-N 3.32Å; F437-H441 PolarHBondContact O-ND1 2.79Å; K438-H441 PolarHBondContact O-N 2.82Å; A439-H441 VanDerWaalsContact C-N 3.35Å; A439-H441 PolarHBondContact O-N 2.86Å |
| 442 | F | 97.2 | Very high | 97.5 | Very high | 55 Ų | 55 | 34.7 Ų | 34.7 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -62.5 | 142.2 | 176.9 | -170.9 | -99.6 | 0 | 0 | 0 | 110.5 | F400 K438 A439 N444 S445 | F400-F442 HydrophobicContact CD2-CB 4.48Å; F400-F442 HydrophobicContact CD2-CD1 4.21Å; F400-F442 HydrophobicContact CD2-CD2 4.24Å; F400-F442 HydrophobicContact CD2-CG 4.06Å; F400-F442 HydrophobicContact CE2-CB 3.98Å; F400-F442 HydrophobicContact CE2-CD1 4.37Å; F400-F442 AromaticContact CE2-CD2 3.69Å; F400-F442 HydrophobicContact CE2-CD2 3.69Å; F400-F442 HydrophobicContact CE2-CE2 4.24Å; F400-F442 AromaticContact CE2-CG 3.75Å; F400-F442 HydrophobicContact CE2-CG 3.75Å; K438-F442 PolarHBondContact O-N 3.06Å; A439-F442 WeakPolarHBondContact O-CB 3.3Å; A439-F442 PolarHBondContact O-N 2.99Å; F442-N444 PolarHBondContact O-N 3.04Å; F442-S445 VanDerWaalsContact O-CB 3.24Å; F442-S445 WeakPolarHBondContact O-CB 3.35Å; F442-S445 PolarHBondContact O-N 3.11Å |
| 443 | P | 95.6 | Very high | 97.5 | Very high | 94 Ų | 94 | 34.7 Ų | 34.7 | 61% | 0.61 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 127.6 | 178.8 | -27 | 35.8 | 0 | 0 | 0 | 111.9 | S445 | P443-S445 PolarHBondContact O-N 3.08Š|
| 444 | N | 94.6 | Very high | 97.5 | Very high | 150 Ų | 150 | 34.4 Ų | 34.4 | 80% | 0.802 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 31.1 | -176.1 | -53.8 | -40.4 | 0 | 0 | 0 | 114 | F442 T446 | F442-N444 PolarHBondContact O-N 3.04Å; N444-T446 PolarHBondContact O-N 3.27Å |
| 445 | S | 97.6 | Very high | 97.6 | Very high | 19 Ų | 19 | 33.7 Ų | 33.7 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | trans | -52.1 | 130.2 | -179.9 | -175.7 | 0 | 0 | 0 | 0 | 112 | A439 F442 P443 L447 | A439-S445 VanDerWaalsContact O-CB 3.24Å; A439-S445 WeakPolarHBondContact O-CB 3.21Å; A439-S445 PolarHBondContact O-OG 3.4Å; F442-S445 VanDerWaalsContact O-CB 3.24Å; F442-S445 WeakPolarHBondContact O-CB 3.35Å; F442-S445 PolarHBondContact O-N 3.11Å; P443-S445 PolarHBondContact O-N 3.08Å; S445-L447 VanDerWaalsContact OG-CB 3.32Å; S445-L447 WeakPolarHBondContact OG-CB 3.32Å; S445-L447 PolarHBondContact OG-N 2.91Å | ||
| 446 | T | 98 | Very high | 97.6 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.043 | 17% | 0.172 | C | C | . | . | trans | -102.6 | 20 | 174 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | F24 S405 Q409 P410 F411 N444 V448 | F24-T446 HydrophobicContact CE2-CG2 4.48Å; F24-T446 HydrophobicContact CZ-CG2 3.81Å; S405-T446 PolarHBondContact O-OG1 3.49Å; S405-T446 PolarHBondContact OG-N 3.44Å; S405-T446 PolarHBondContact OG-OG1 2.79Å; Q409-T446 VanDerWaalsContact O-CB 3.27Å; Q409-T446 WeakPolarHBondContact O-CB 3.33Å; Q409-T446 PolarHBondContact O-OG1 2.59Å; P410-T446 VanDerWaalsContact CA-O 3.28Å; P410-T446 WeakPolarHBondContact CA-O 3.4Å; F411-T446 WeakPolarHBondContact CD1-OG1 3.38Å; F411-T446 PolarHBondContact N-O 3.3Å; F411-T446 VanDerWaalsContact N-O 3.13Å; N444-T446 PolarHBondContact O-N 3.27Å; T446-V448 PolarHBondContact O-N 3.26Å | ||
| 447 | L | 98.1 | Very high | 97.6 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 11% | 0.105 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 121.7 | 179.5 | -174.5 | 75.5 | 0 | 0 | 0 | 110.6 | F411 W413 A439 L440 S445 G449 | F411-L447 HydrophobicContact CD1-CB 4.44Å; F411-L447 HydrophobicContact CD2-CD1 4.02Å; F411-L447 HydrophobicContact CE1-CB 3.76Å; F411-L447 HydrophobicContact CE1-CD1 4.12Å; F411-L447 VanDerWaalsContact CE1-N 3.34Å; F411-L447 HydrophobicContact CE2-CD1 3.52Å; F411-L447 HydrophobicContact CZ-CB 3.9Å; F411-L447 HydrophobicContact CZ-CD1 3.59Å; F411-L447 HydrophobicContact CZ-CG 4.36Å; W413-L447 HydrophobicContact CB-CD1 3.71Å; A439-L447 HydrophobicContact CB-CD1 4.34Å; A439-L447 HydrophobicContact CB-CD2 4.16Å; L440-L447 HydrophobicContact CB-CD2 3.92Å; L440-L447 HydrophobicContact CD1-CD2 4.22Å; S445-L447 VanDerWaalsContact OG-CB 3.32Å; S445-L447 WeakPolarHBondContact OG-CB 3.32Å; S445-L447 PolarHBondContact OG-N 2.91Å; L447-G449 WeakPolarHBondContact CD1-O 3.33Å |
| 448 | V | 97.8 | Very high | 97.6 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 9% | 0.085 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -8.5 | 176.5 | -66.9 | 0 | 0 | 0 | 0 | 113.2 | F24 L27 R137 F138 I388 P410 F411 I412 T446 | F24-V448 HydrophobicContact CD2-CG1 3.84Å; F24-V448 HydrophobicContact CE2-CG1 4.05Å; L27-V448 HydrophobicContact CD1-CG1 4.14Å; R137-V448 WeakPolarHBondContact CB-O 3.45Å; R137-V448 PolarHBondContact N-O 2.68Å; R137-V448 VanDerWaalsContact N-O 3.1Å; F138-V448 HydrophobicContact CD2-CB 4.23Å; F138-V448 HydrophobicContact CD2-CG2 3.97Å; F138-V448 HydrophobicContact CE2-CG2 4.38Å; F138-V448 PolarHBondContact N-O 2.76Å; I388-V448 HydrophobicContact CG2-CG2 4.28Å; P410-V448 HydrophobicContact CB-CB 4.41Å; P410-V448 HydrophobicContact CB-CG1 3.61Å; P410-V448 HydrophobicContact CB-CG2 3.88Å; F411-V448 WeakPolarHBondContact O-CG2 3.14Å; F411-V448 PolarHBondContact O-N 3.16Å; I412-V448 HydrophobicContact CG1-CG2 4.15Å; T446-V448 PolarHBondContact O-N 3.26Å |
| 449 | G | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F138 I412 W413 L447 | F138-G449 CarbonylContact O-C 3.59Å; F138-G449 WeakPolarHBondContact O-CA 3.49Å; I412-G449 WeakPolarHBondContact CA-O 3.44Å; W413-G449 PolarHBondContact N-O 3.22Å; W413-G449 VanDerWaalsContact N-O 3.11Å; L447-G449 WeakPolarHBondContact CD1-O 3.33Å |
| 450 | I | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 160.7 | 167.8 | 72.3 | 172.2 | 0 | 0 | 0 | 109.9 | F138 R139 Y140 I412 W413 P436 M467 L470 A471 | F138-I450 PolarHBondContact O-N 3.3Å; F138-I450 VanDerWaalsContact O-N 3.07Å; R139-I450 CarbonylContact C-O 3.5Å; R139-I450 VanDerWaalsContact CA-O 3.25Å; R139-I450 WeakPolarHBondContact CA-O 3.3Å; Y140-I450 PolarHBondContact N-O 3.06Å; I412-I450 VanDerWaalsContact CG2-C 3.41Å; W413-I450 CarbonylContact O-C 3.6Å; W413-I450 WeakPolarHBondContact O-CA 3.06Å; P436-I450 HydrophobicContact CB-CG2 4.02Å; P436-I450 HydrophobicContact CG-CG2 4.42Å; I450-M467 HydrophobicContact CB-CE 3.75Å; I450-M467 HydrophobicContact CD1-CE 3.68Å; I450-M467 HydrophobicContact CD1-SD 4.4Å; I450-M467 HydrophobicContact CG1-CE 3.95Å; I450-L470 HydrophobicContact CD1-CB 4.47Å; I450-A471 HydrophobicContact CD1-CB 3.61Å; I450-A471 HydrophobicContact CG1-CB 3.99Å |
| 451 | G | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 167.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y140 W413 C414 M415 M467 | Y140-G451 CarbonylContact O-C 3.16Å; Y140-G451 WeakPolarHBondContact O-CA 3.38Å; W413-G451 PolarHBondContact O-N 2.86Å; C414-G451 WeakPolarHBondContact CA-O 3.49Å; M415-G451 PolarHBondContact N-O 3.06Å; G451-M467 WeakPolarHBondContact O-CE 3Å |
| 452 | M | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.02 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.3 | 173.3 | -65.1 | 178.8 | -72 | 0 | 0 | 109.2 | Y140 Y141 Q142 W165 I171 M415 Y464 M467 | Y140-M452 PolarHBondContact O-N 3.16Å; Y141-M452 WeakPolarHBondContact CA-O 3.06Å; Y141-M452 HydrophobicContact CD2-CB 4.05Å; Q142-M452 PolarHBondContact N-O 3.32Å; W165-M452 HydrophobicContact CH2-CE 3.77Å; W165-M452 HydrophobicContact CH2-SD 4.4Å; W165-M452 HydrophobicContact CZ3-CE 4.24Å; I171-M452 HydrophobicContact CD1-CE 3.74Å; I171-M452 HydrophobicContact CG1-CE 4.42Å; M415-M452 HydrophobicContact CE-CG 4.21Å; M452-Y464 HydrophobicContact CG-CD1 4.44Å; M452-Y464 HydrophobicContact SD-CD1 3.74Å; M452-Y464 HydrophobicContact SD-CG 4.42Å; M452-M467 HydrophobicContact CG-CB 4.27Å; M452-M467 HydrophobicContact CG-CG 3.66Å; M452-M467 HydrophobicContact SD-CB 4.24Å; M452-M467 HydrophobicContact SD-CG 4.23Å |
| 453 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -126.2 | 45.1 | -174.3 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | Y140 N143 L392 C414 M415 L416 | Y140-T453 HydrophobicContact CD1-CG2 3.81Å; Y140-T453 HydrophobicContact CE1-CG2 3.52Å; N143-T453 WeakPolarHBondContact CB-O 3.48Å; N143-T453 PolarHBondContact ND2-O 3.02Å; L392-T453 HydrophobicContact CD1-CG2 3.7Å; L392-T453 HydrophobicContact CG-CG2 4.49Å; L392-T453 PolarHBondContact O-OG1 2.81Å; C414-T453 HydrophobicContact CB-CG2 3.72Å; C414-T453 WeakPolarHBondContact CB-OG1 3.41Å; M415-T453 PolarHBondContact O-N 2.97Å; M415-T453 PolarHBondContact O-OG1 3.34Å; L416-T453 WeakPolarHBondContact CA-OG1 3.49Å | ||
| 454 | P | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -68.1 | 136.7 | 179.3 | 33.2 | -37.6 | 0 | 0 | 0 | 111.8 | Y141 N143 T146 L416 N418 G456 I457 Y464 | Y141-P454 HydrophobicContact CE2-CG 4.39Å; N143-P454 VanDerWaalsContact CB-O 3.24Å; N143-P454 WeakPolarHBondContact CB-O 3.41Å; T146-P454 PolarHBondContact OG1-O 2.63Å; L416-P454 WeakPolarHBondContact O-CA 3.31Å; N418-P454 HydrophobicContact CB-CB 4.08Å; P454-G456 PolarHBondContact O-N 3.48Å; P454-I457 HydrophobicContact CB-CG2 4.26Å; P454-I457 HydrophobicContact CG-CG2 3.49Å; P454-I457 VanDerWaalsContact CG-CG2 3.49Å; P454-Y464 HydrophobicContact CB-CE1 3.9Å; P454-Y464 VanDerWaalsContact CB-OH 3.26Å; P454-Y464 WeakPolarHBondContact CB-OH 3.22Å; P454-Y464 HydrophobicContact CG-CE1 3.74Å | ||
| 455 | E | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 8.7 Ų | 8.7 | 5% | 0.051 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -63.7 | -34.5 | 172.2 | -66 | -163.6 | 163.3 | 0 | 0 | 111.7 | C145 T146 Y149 N418 F419 G420 Y666 | C145-E455 CarbonylContact C-O 3.42Å; C145-E455 HydrophobicContact CB-CB 3.79Å; C145-E455 HydrophobicContact CB-CG 3.8Å; T146-E455 WeakPolarHBondContact CA-O 3.49Å; T146-E455 PolarHBondContact N-O 2.82Å; Y149-E455 HydrophobicContact CD2-CB 3.99Å; Y149-E455 WeakPolarHBondContact CD2-O 3.31Å; Y149-E455 HydrophobicContact CE2-CB 4.25Å; N418-E455 WeakPolarHBondContact O-CB 3.42Å; N418-E455 PolarHBondContact O-N 2.95Å; F419-E455 HydrophobicContact CD1-CG 4.44Å; G420-E455 PolarHBondContact N-OE2 3.08Å; E455-Y666 VanDerWaalsContact CD-OH 3.27Å; E455-Y666 PolarHBondContact OE1-OH 2.99Å; E455-Y666 VanDerWaalsContact OE2-CE1 3.24Å; E455-Y666 WeakPolarHBondContact OE2-CE1 3.34Å; E455-Y666 PolarHBondContact OE2-OH 3.48Å |
| 456 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -141.6 | 149.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S150 N418 P454 Q459 | S150-G456 WeakPolarHBondContact OG-CA 3.26Å; N418-G456 PolarHBondContact OD1-N 3.04Å; N418-G456 PolarHBondContact OD1-O 3.1Å; N418-G456 VanDerWaalsContact OD1-O 3.12Å; P454-G456 PolarHBondContact O-N 3.48Å; G456-Q459 PolarHBondContact O-NE2 3.16Å |
| 457 | I | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 7.5 Ų | 7.5 | 5% | 0.051 | 4% | 0.039 | C | C | . | . | trans | -108.9 | -167.2 | -176.6 | 58.3 | 148.6 | 0 | 0 | 0 | 111.4 | W112 Y141 T146 S150 F151 W154 P454 Q459 | W112-I457 HydrophobicContact CD2-CD1 4.35Å; W112-I457 HydrophobicContact CE3-CB 4.42Å; W112-I457 HydrophobicContact CH2-CB 3.73Å; W112-I457 HydrophobicContact CH2-CG2 3.78Å; W112-I457 HydrophobicContact CZ2-CB 3.88Å; W112-I457 HydrophobicContact CZ2-CD1 3.94Å; W112-I457 HydrophobicContact CZ2-CG2 4Å; W112-I457 HydrophobicContact CZ3-CB 4Å; W112-I457 HydrophobicContact CZ3-CG2 4.45Å; Y141-I457 HydrophobicContact CE2-CG2 4.36Å; Y141-I457 WeakPolarHBondContact OH-CG2 3.13Å; T146-I457 HydrophobicContact CG2-CG1 4.34Å; T146-I457 HydrophobicContact CG2-CG2 3.92Å; S150-I457 PolarHBondContact OG-N 3.12Å; S150-I457 VanDerWaalsContact OG-N 3.09Å; F151-I457 HydrophobicContact CE1-CD1 3.81Å; F151-I457 HydrophobicContact CE1-CG1 4.05Å; W154-I457 HydrophobicContact CH2-CD1 3.72Å; W154-I457 HydrophobicContact CZ2-CD1 3.87Å; P454-I457 HydrophobicContact CB-CG2 4.26Å; P454-I457 HydrophobicContact CG-CG2 3.49Å; P454-I457 VanDerWaalsContact CG-CG2 3.49Å; I457-Q459 VanDerWaalsContact C-N 3.31Å; I457-Q459 PolarHBondContact O-N 2.92Å | ||
| 458 | E | 97.5 | Very high | 98.4 | Very high | 73 Ų | 73 | 7 Ų | 7 | 34% | 0.341 | 4% | 0.036 | S | C | . | . | S | Bend | trans | 66.3 | 31.7 | -179.1 | -50.8 | -174.9 | 158.9 | 0 | 0 | 113.1 | W112 R158 | W112-E458 HydrophobicContact CB-CB 4.43Å; W112-E458 HydrophobicContact CB-CG 4.02Å; W112-E458 HydrophobicContact CD2-CG 4.43Å; W112-E458 HydrophobicContact CG-CG 4.1Å; R158-E458 IonicContact CZ-OE1 3.59Å; R158-E458 IonicContact NE-OE1 3.53Å; R158-E458 PolarHBondContact NE-OE1 2.7Å; R158-E458 VanDerWaalsContact NE-OE1 3.13Å; R158-E458 IonicContact NH2-OE1 2.74Å; R158-E458 PolarHBondContact NH2-OE1 2.82Å |
| 459 | Q | 97.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 1% | 0.009 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -141.7 | 163.8 | 169.3 | 46.5 | 64.1 | 44.3 | 0 | 0 | 110.4 | N418 G456 I457 P461 Y464 | N418-Q459 VanDerWaalsContact CB-NE2 3.3Å; N418-Q459 VanDerWaalsContact CG-NE2 3.35Å; N418-Q459 WeakPolarHBondContact ND2-CG 3.49Å; N418-Q459 PolarHBondContact ND2-NE2 3.37Å; N418-Q459 PolarHBondContact ND2-OE1 3.12Å; G456-Q459 PolarHBondContact O-NE2 3.16Å; I457-Q459 VanDerWaalsContact C-N 3.31Å; I457-Q459 PolarHBondContact O-N 2.92Å; Q459-P461 VanDerWaalsContact O-N 3.09Å; Q459-Y464 PolarHBondContact NE2-OH 2.7Å; Q459-Y464 VanDerWaalsContact O-CE2 3.24Å; Q459-Y464 WeakPolarHBondContact O-CE2 3.28Å |
| 460 | N | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | trans | 38.1 | 52.3 | 178 | -55.1 | 119.9 | 0 | 0 | 0 | 115 | G424 V462 I463 Y464 Y510 | G424-N460 PolarHBondContact O-ND2 3.09Å; G424-N460 PolarHBondContact O-OD1 3.11Å; N460-V462 PolarHBondContact O-N 3.47Å; N460-I463 HydrophobicContact CB-CB 4.48Å; N460-I463 HydrophobicContact CB-CG1 4.13Å; N460-I463 WeakPolarHBondContact O-CB 3.38Å; N460-I463 PolarHBondContact O-N 2.86Å; N460-Y464 WeakPolarHBondContact O-CD2 3.14Å; N460-Y510 HydrophobicContact CB-CE1 4.04Å; N460-Y510 WeakPolarHBondContact ND2-CE1 3.46Å; N460-Y510 PolarHBondContact ND2-OH 3.05Å | ||
| 461 | P | 98.2 | Very high | 98.4 | Very high | 9 Ų | 9 | 6.6 Ų | 6.6 | 6% | 0.058 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -56.5 | -27.6 | -171 | 22.4 | -34.3 | 0 | 0 | 0 | 113.6 | Q459 I463 Y464 E465 | Q459-P461 VanDerWaalsContact O-N 3.09Å; P461-I463 VanDerWaalsContact C-N 3.27Å; P461-I463 PolarHBondContact O-N 2.73Å; P461-Y464 PolarHBondContact O-N 2.97Å; P461-E465 WeakPolarHBondContact O-CB 3.43Å; P461-E465 PolarHBondContact O-N 3.16Å |
| 462 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61 | -32.9 | 177.3 | 73.2 | 0 | 0 | 0 | 0 | 113.3 | N460 L466 W482 Y486 W502 F506 Y510 | N460-V462 PolarHBondContact O-N 3.47Å; V462-L466 PolarHBondContact O-N 3.11Å; V462-W482 HydrophobicContact CG2-CH2 4.08Å; V462-W482 HydrophobicContact CG2-CZ3 3.77Å; V462-W482 WeakPolarHBondContact O-CH2 3.47Å; V462-Y486 HydrophobicContact CB-CD1 4.45Å; V462-Y486 HydrophobicContact CB-CE1 3.78Å; V462-Y486 HydrophobicContact CB-CE2 4.11Å; V462-Y486 HydrophobicContact CG2-CD1 3.66Å; V462-Y486 HydrophobicContact CG2-CD2 4.02Å; V462-Y486 HydrophobicContact CG2-CE1 3.48Å; V462-Y486 VanDerWaalsContact CG2-CE1 3.48Å; V462-Y486 HydrophobicContact CG2-CE2 3.85Å; V462-Y486 HydrophobicContact CG2-CG 3.92Å; V462-Y486 PolarHBondContact N-OH 2.73Å; V462-W502 HydrophobicContact CB-CH2 4.29Å; V462-W502 HydrophobicContact CB-CZ3 4.02Å; V462-W502 HydrophobicContact CG1-CH2 4.46Å; V462-W502 HydrophobicContact CG1-CZ3 3.96Å; V462-W502 HydrophobicContact CG2-CZ3 4.03Å; V462-F506 HydrophobicContact CB-CE2 4.33Å; V462-F506 HydrophobicContact CG1-CE2 3.93Å; V462-F506 HydrophobicContact CG1-CZ 4.43Å; V462-F506 HydrophobicContact CG2-CE2 3.45Å; V462-F506 VanDerWaalsContact CG2-CE2 3.45Å; V462-F506 HydrophobicContact CG2-CZ 3.54Å; V462-Y510 HydrophobicContact CG1-CD1 4.31Å; V462-Y510 HydrophobicContact CG1-CD2 4.42Å; V462-Y510 HydrophobicContact CG1-CE1 3.86Å; V462-Y510 HydrophobicContact CG1-CE2 4Å |
| 463 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -73.8 | -42.9 | -178.7 | -63.2 | -58.4 | 0 | 0 | 0 | 110.5 | M415 V429 I432 N460 P461 L466 M467 Y510 | M415-I463 HydrophobicContact CE-CG2 3.76Å; M415-I463 HydrophobicContact SD-CG2 3.48Å; M415-I463 WeakPolarHBondContact SD-CG2 3.37Å; V429-I463 HydrophobicContact CG1-CD1 3.54Å; I432-I463 HydrophobicContact CD1-CG2 3.76Å; N460-I463 HydrophobicContact CB-CB 4.48Å; N460-I463 HydrophobicContact CB-CG1 4.13Å; N460-I463 WeakPolarHBondContact O-CB 3.38Å; N460-I463 PolarHBondContact O-N 2.86Å; P461-I463 VanDerWaalsContact C-N 3.27Å; P461-I463 PolarHBondContact O-N 2.73Å; I463-L466 PolarHBondContact O-N 2.98Å; I463-M467 WeakPolarHBondContact O-CB 3.5Å; I463-M467 PolarHBondContact O-N 2.94Å; I463-Y510 HydrophobicContact CD1-CD1 3.66Å; I463-Y510 HydrophobicContact CD1-CE1 4.3Å; I463-Y510 HydrophobicContact CD1-CG 4.24Å; I463-Y510 HydrophobicContact CG1-CD1 3.79Å; I463-Y510 HydrophobicContact CG1-CE1 3.97Å |
| 464 | Y | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 0% | 0.004 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.2 | -36.5 | 176.1 | -59.6 | -78.3 | 0 | 0 | 0 | 112.3 | W112 M415 N417 M452 P454 Q459 N460 P461 M467 S468 | W112-Y464 HydrophobicContact CH2-CD1 4.08Å; W112-Y464 AromaticContact CH2-CD2 3.95Å; W112-Y464 HydrophobicContact CH2-CD2 3.95Å; W112-Y464 HydrophobicContact CH2-CE1 4.48Å; W112-Y464 HydrophobicContact CH2-CE2 4.35Å; W112-Y464 AromaticContact CH2-CG 3.8Å; W112-Y464 HydrophobicContact CH2-CG 3.8Å; W112-Y464 HydrophobicContact CZ3-CD1 4.48Å; W112-Y464 AromaticContact CZ3-CD2 3.52Å; W112-Y464 HydrophobicContact CZ3-CD2 3.52Å; W112-Y464 AromaticContact CZ3-CE2 3.9Å; W112-Y464 HydrophobicContact CZ3-CE2 3.9Å; W112-Y464 AromaticContact CZ3-CG 3.85Å; W112-Y464 HydrophobicContact CZ3-CG 3.85Å; M415-Y464 HydrophobicContact CE-CD1 3.64Å; M415-Y464 HydrophobicContact CE-CE1 3.66Å; M415-Y464 HydrophobicContact CE-CG 4.4Å; N417-Y464 PolarHBondContact OD1-OH 2.71Å; M452-Y464 HydrophobicContact CG-CD1 4.44Å; M452-Y464 HydrophobicContact SD-CD1 3.74Å; M452-Y464 HydrophobicContact SD-CG 4.42Å; P454-Y464 HydrophobicContact CB-CE1 3.9Å; P454-Y464 VanDerWaalsContact CB-OH 3.26Å; P454-Y464 WeakPolarHBondContact CB-OH 3.22Å; P454-Y464 HydrophobicContact CG-CE1 3.74Å; Q459-Y464 PolarHBondContact NE2-OH 2.7Å; Q459-Y464 VanDerWaalsContact O-CE2 3.24Å; Q459-Y464 WeakPolarHBondContact O-CE2 3.28Å; N460-Y464 WeakPolarHBondContact O-CD2 3.14Å; P461-Y464 PolarHBondContact O-N 2.97Å; Y464-M467 PolarHBondContact O-N 3.45Å; Y464-S468 WeakPolarHBondContact O-CB 3.47Å; Y464-S468 PolarHBondContact O-N 2.87Å; Y464-S468 PolarHBondContact O-OG 3.05Å |
| 465 | E | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.4 | -36.1 | 173.7 | 178.8 | 71.7 | -148.3 | 0 | 0 | 112.1 | Y99 K103 H109 P461 S468 E469 W482 Y486 | Y99-E465 PolarHBondContact OH-OE2 3.26Å; K103-E465 WeakPolarHBondContact CD-OE1 3.25Å; K103-E465 WeakPolarHBondContact CE-OE1 3.05Å; K103-E465 IonicContact NZ-OE1 3.76Å; K103-E465 PolarHBondContact NZ-OE1 3.03Å; H109-E465 IonicContact CE1-OE2 2.77Å; H109-E465 PolarHBondContact CE1-OE2 3.32Å; H109-E465 IonicContact ND1-OE2 3.57Å; P461-E465 WeakPolarHBondContact O-CB 3.43Å; P461-E465 PolarHBondContact O-N 3.16Å; E465-S468 PolarHBondContact O-OG 3.43Å; E465-E469 WeakPolarHBondContact O-CB 3.46Å; E465-E469 PolarHBondContact O-N 3.23Å; E465-W482 HydrophobicContact CB-CH2 4.32Å; E465-W482 HydrophobicContact CB-CZ2 4.5Å; E465-W482 HydrophobicContact CG-CH2 4.09Å; E465-W482 HydrophobicContact CG-CZ2 3.95Å; E465-Y486 HydrophobicContact CB-CE2 4.25Å; E465-Y486 HydrophobicContact CG-CD2 4.09Å; E465-Y486 HydrophobicContact CG-CE2 4.04Å |
| 466 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65 | -53.4 | 172.2 | 177.1 | 61.4 | 0 | 0 | 0 | 110.1 | V429 I432 V462 I463 S468 E469 L470 V477 L479 W482 | V429-L466 HydrophobicContact CB-CD2 4.26Å; V429-L466 HydrophobicContact CG1-CD2 4.14Å; I432-L466 HydrophobicContact CG2-CD2 4.21Å; I432-L466 HydrophobicContact CG2-CG 4.35Å; V462-L466 PolarHBondContact O-N 3.11Å; I463-L466 PolarHBondContact O-N 2.98Å; L466-S468 PolarHBondContact O-N 3.26Å; L466-E469 PolarHBondContact O-N 3.07Å; L466-E469 VanDerWaalsContact O-N 3.14Å; L466-L470 HydrophobicContact CD1-CD2 4.45Å; L466-L470 HydrophobicContact CD1-CG 4.4Å; L466-L470 HydrophobicContact CG-CD1 4.39Å; L466-L470 WeakPolarHBondContact O-CG 3.42Å; L466-L470 PolarHBondContact O-N 3.28Å; L466-V477 HydrophobicContact CD1-CG2 3.91Å; L466-L479 HydrophobicContact CD1-CD2 4.33Å; L466-L479 HydrophobicContact CD2-CD2 3.91Å; L466-W482 VanDerWaalsContact CA-CZ2 3.49Å; L466-W482 HydrophobicContact CB-CH2 3.69Å; L466-W482 HydrophobicContact CB-CZ2 3.91Å; L466-W482 HydrophobicContact CB-CZ3 4.16Å; L466-W482 HydrophobicContact CD1-CD2 4.03Å; L466-W482 HydrophobicContact CD1-CE3 4.3Å; L466-W482 HydrophobicContact CD1-CH2 4.44Å; L466-W482 HydrophobicContact CD1-CZ2 4.15Å |
| 467 | M | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | -175.9 | -176.7 | 54.5 | -170.6 | 0 | 0 | 112.6 | W413 M415 I432 I450 G451 M452 I463 Y464 E469 L470 | W413-M467 HydrophobicContact CE3-CE 3.57Å; W413-M467 HydrophobicContact CE3-SD 4.46Å; W413-M467 HydrophobicContact CZ3-CE 3.45Å; W413-M467 VanDerWaalsContact CZ3-CE 3.45Å; W413-M467 HydrophobicContact CZ3-SD 3.78Å; M415-M467 HydrophobicContact CB-CE 4.32Å; M415-M467 HydrophobicContact CB-CG 4.05Å; M415-M467 HydrophobicContact CB-SD 4.19Å; M415-M467 HydrophobicContact CE-CB 3.88Å; M415-M467 HydrophobicContact CE-CG 4.09Å; M415-M467 HydrophobicContact SD-CB 3.78Å; M415-M467 HydrophobicContact SD-CG 3.98Å; I432-M467 HydrophobicContact CG2-CB 4.29Å; I432-M467 HydrophobicContact CG2-SD 3.98Å; I450-M467 HydrophobicContact CB-CE 3.75Å; I450-M467 HydrophobicContact CD1-CE 3.68Å; I450-M467 HydrophobicContact CD1-SD 4.4Å; I450-M467 HydrophobicContact CG1-CE 3.95Å; G451-M467 WeakPolarHBondContact O-CE 3Å; M452-M467 HydrophobicContact CG-CB 4.27Å; M452-M467 HydrophobicContact CG-CG 3.66Å; M452-M467 HydrophobicContact SD-CB 4.24Å; M452-M467 HydrophobicContact SD-CG 4.23Å; I463-M467 WeakPolarHBondContact O-CB 3.5Å; I463-M467 PolarHBondContact O-N 2.94Å; Y464-M467 PolarHBondContact O-N 3.45Å; M467-E469 VanDerWaalsContact C-N 3.25Å; M467-E469 PolarHBondContact O-N 3.01Å; M467-L470 PolarHBondContact O-N 3.36Å |
| 468 | S | 98 | Very high | 97.9 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63 | -34.2 | 177.2 | 68.7 | 0 | 0 | 0 | 0 | 112.2 | N169 Y464 E465 L466 A471 | N169-S468 VanDerWaalsContact OD1-CB 3.31Å; N169-S468 WeakPolarHBondContact OD1-CB 3.44Å; N169-S468 PolarHBondContact OD1-OG 2.77Å; Y464-S468 WeakPolarHBondContact O-CB 3.47Å; Y464-S468 PolarHBondContact O-N 2.87Å; Y464-S468 PolarHBondContact O-OG 3.05Å; E465-S468 PolarHBondContact O-OG 3.43Å; L466-S468 PolarHBondContact O-N 3.26Å; S468-A471 VanDerWaalsContact O-CB 3.29Å; S468-A471 WeakPolarHBondContact O-CB 3.02Å; S468-A471 PolarHBondContact O-N 2.95Å |
| 469 | E | 98.1 | Very high | 97.9 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.9 | -34.1 | 179 | -171 | 165.3 | -173.5 | 0 | 0 | 113.1 | K103 Y104 E465 L466 M467 A471 W472 R473 W482 | K103-E469 IonicContact NZ-OE2 3.45Å; K103-E469 PolarHBondContact NZ-OE2 3.29Å; Y104-E469 VanDerWaalsContact CE2-OE1 3.24Å; Y104-E469 WeakPolarHBondContact CE2-OE1 3.29Å; Y104-E469 VanDerWaalsContact OH-CD 3.3Å; Y104-E469 PolarHBondContact OH-OE1 2.68Å; Y104-E469 PolarHBondContact OH-OE2 3Å; E465-E469 WeakPolarHBondContact O-CB 3.46Å; E465-E469 PolarHBondContact O-N 3.23Å; L466-E469 PolarHBondContact O-N 3.07Å; L466-E469 VanDerWaalsContact O-N 3.14Å; M467-E469 VanDerWaalsContact C-N 3.25Å; M467-E469 PolarHBondContact O-N 3.01Å; E469-A471 PolarHBondContact O-N 3.42Å; E469-A471 VanDerWaalsContact O-N 3.16Å; E469-W472 PolarHBondContact O-N 3.38Å; E469-R473 VanDerWaalsContact CG-CZ 3.46Å; E469-R473 IonicContact OE1-CZ 2.73Å; E469-R473 IonicContact OE1-NE 3.05Å; E469-R473 IonicContact OE1-NH1 3.3Å; E469-R473 IonicContact OE1-NH2 3.26Å; E469-R473 PolarHBondContact OE1-NH2 3.16Å; E469-R473 IonicContact OE2-CZ 3.59Å; E469-R473 IonicContact OE2-NH1 3.53Å; E469-R473 IonicContact OE2-NH2 2.65Å; E469-R473 PolarHBondContact OE2-NH2 3.05Å; E469-W482 PolarHBondContact OE2-NE1 3.27Å |
| 470 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -26.3 | 175.4 | -65.1 | 176.3 | 0 | 0 | 0 | 112.2 | I432 F437 I450 L466 M467 W472 R473 | I432-L470 HydrophobicContact CG2-CD1 3.85Å; I432-L470 WeakPolarHBondContact O-CD1 3.44Å; F437-L470 HydrophobicContact CE2-CD2 4.09Å; F437-L470 HydrophobicContact CZ-CD2 4.3Å; I450-L470 HydrophobicContact CD1-CB 4.47Å; L466-L470 HydrophobicContact CD1-CD2 4.45Å; L466-L470 HydrophobicContact CD1-CG 4.4Å; L466-L470 HydrophobicContact CG-CD1 4.39Å; L466-L470 WeakPolarHBondContact O-CG 3.42Å; L466-L470 PolarHBondContact O-N 3.28Å; M467-L470 PolarHBondContact O-N 3.36Å; L470-W472 PolarHBondContact O-N 2.94Å; L470-W472 VanDerWaalsContact O-N 3.09Å; L470-R473 PolarHBondContact O-N 3.36Å; L470-R473 VanDerWaalsContact O-N 3.14Å |
| 471 | A | 96.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T134 H136 R139 I450 S468 E469 | T134-A471 WeakPolarHBondContact CB-O 3.42Å; T134-A471 PolarHBondContact OG1-O 2.79Å; H136-A471 PolarHBondContact CD2-O 3.45Å; R139-A471 HydrophobicContact CG-CB 3.55Å; I450-A471 HydrophobicContact CD1-CB 3.61Å; I450-A471 HydrophobicContact CG1-CB 3.99Å; S468-A471 VanDerWaalsContact O-CB 3.29Å; S468-A471 WeakPolarHBondContact O-CB 3.02Å; S468-A471 PolarHBondContact O-N 2.95Å; E469-A471 PolarHBondContact O-N 3.42Å; E469-A471 VanDerWaalsContact O-N 3.16Å |
| 472 | W | 97.6 | Very high | 97.9 | Very high | 34 Ų | 34 | 36.6 Ų | 36.6 | 13% | 0.129 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 10.6 | -176.6 | -63.1 | 93.5 | 0 | 0 | 0 | 112.8 | D72 A93 S96 I132 T134 E469 L470 | D72-W472 HydrophobicContact CB-CH2 3.86Å; D72-W472 HydrophobicContact CB-CZ3 4.23Å; A93-W472 HydrophobicContact CB-CH2 4.12Å; S96-W472 VanDerWaalsContact CB-CZ2 3.42Å; S96-W472 WeakPolarHBondContact OG-CZ2 3.44Å; I132-W472 HydrophobicContact CG2-CB 4.36Å; I132-W472 HydrophobicContact CG2-CD2 4.26Å; I132-W472 HydrophobicContact CG2-CE3 3.7Å; I132-W472 HydrophobicContact CG2-CZ3 4.35Å; T134-W472 HydrophobicContact CG2-CE3 4.31Å; T134-W472 HydrophobicContact CG2-CH2 4.41Å; T134-W472 HydrophobicContact CG2-CZ3 4.04Å; E469-W472 PolarHBondContact O-N 3.38Å; L470-W472 PolarHBondContact O-N 2.94Å; L470-W472 VanDerWaalsContact O-N 3.09Å |
| 473 | R | 96.7 | Very high | 97.9 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 16% | 0.155 | 18% | 0.183 | C | C | . | . | trans | -111 | 154.1 | -178.6 | -69.3 | -170.2 | 171.7 | 134.7 | -5.9 | 111.6 | Y104 F437 E469 L470 V477 W482 | Y104-R473 PolarHBondContact OH-NH2 3.08Å; F437-R473 HydrophobicContact CZ-CB 4.24Å; E469-R473 VanDerWaalsContact CG-CZ 3.46Å; E469-R473 IonicContact OE1-CZ 2.73Å; E469-R473 IonicContact OE1-NE 3.05Å; E469-R473 IonicContact OE1-NH1 3.3Å; E469-R473 IonicContact OE1-NH2 3.26Å; E469-R473 PolarHBondContact OE1-NH2 3.16Å; E469-R473 IonicContact OE2-CZ 3.59Å; E469-R473 IonicContact OE2-NH1 3.53Å; E469-R473 IonicContact OE2-NH2 2.65Å; E469-R473 PolarHBondContact OE2-NH2 3.05Å; L470-R473 PolarHBondContact O-N 3.36Å; L470-R473 VanDerWaalsContact O-N 3.14Å; R473-V477 VanDerWaalsContact NE-CG1 3.32Å; R473-W482 VanDerWaalsContact NH2-CD1 3.29Å | ||
| 474 | K | 94.6 | Very high | 97.9 | Very high | 140 Ų | 140 | 37.5 Ų | 37.5 | 61% | 0.609 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -97.8 | -18.8 | 173.9 | -62.7 | -178 | -178.3 | 178.6 | 0 | 112.6 | F437 | F437-K474 WeakPolarHBondContact CD1-O 3.43Å; F437-K474 WeakPolarHBondContact CE1-O 3.34Å |
| 475 | E | 96.2 | Very high | 97.9 | Very high | 126 Ų | 126 | 40.8 Ų | 40.8 | 59% | 0.589 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -141.1 | 156.1 | -176.9 | -63.1 | -61.4 | 161.4 | 0 | 0 | 110.2 | F437 | F437-E475 WeakPolarHBondContact CZ-O 3.47Š|
| 476 | P | 97.9 | Very high | 97.9 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 36% | 0.357 | 21% | 0.206 | S | C | . | . | trans | -54.3 | 154.6 | 169.9 | -23.4 | 31.9 | 0 | 0 | 0 | 112.7 | N433 F437 | N433-P476 WeakPolarHBondContact O-CB 3.45Å; F437-P476 HydrophobicContact CD2-CB 4.35Å; F437-P476 HydrophobicContact CD2-CG 3.56Å; F437-P476 HydrophobicContact CE2-CB 4.24Å; F437-P476 HydrophobicContact CE2-CG 3.89Å; F437-P476 HydrophobicContact CG-CG 4.17Å | ||
| 477 | V | 98.3 | Very high | 97.9 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 16% | 0.158 | 21% | 0.207 | C | C | . | . | trans | -89.1 | 158 | 170.9 | -77.6 | 0 | 0 | 0 | 0 | 114 | N433 L466 R473 L479 W482 | N433-V477 PolarHBondContact ND2-O 3.23Å; N433-V477 WeakPolarHBondContact OD1-CG2 3.25Å; N433-V477 PolarHBondContact OD1-N 3.09Å; L466-V477 HydrophobicContact CD1-CG2 3.91Å; R473-V477 VanDerWaalsContact NE-CG1 3.32Å; V477-L479 HydrophobicContact CG2-CD2 4.22Å; V477-L479 PolarHBondContact O-N 3.44Å; V477-W482 HydrophobicContact CB-CB 4.25Å; V477-W482 HydrophobicContact CG2-CB 4Å; V477-W482 HydrophobicContact CG2-CG 4.04Å | ||
| 478 | N | 98.4 | Very high | 97.8 | Very high | 110 Ų | 110 | 41.7 Ų | 41.7 | 59% | 0.588 | 21% | 0.213 | S | C | * | . | trans | -69.5 | 104.6 | 155.6 | -176.3 | -59.6 | 0 | 0 | 0 | 109.3 | A480 K481 W482 | N478-A480 PolarHBondContact O-N 2.94Å; N478-A480 PolarHBondContact OD1-N 2.99Å; N478-K481 HydrophobicContact CB-CB 4.12Å; N478-K481 PolarHBondContact O-N 3.02Å; N478-K481 WeakPolarHBondContact OD1-CB 3.24Å; N478-K481 PolarHBondContact OD1-N 3.13Å; N478-W482 WeakPolarHBondContact O-CB 3.39Å; N478-W482 PolarHBondContact O-N 3.14Å | ||
| 479 | L | 98.5 | Very high | 97.8 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | -175.7 | -73.3 | 171.4 | 0 | 0 | 0 | 112.8 | V429 E430 N433 L466 V477 K481 W482 V483 F506 | V429-L479 HydrophobicContact CB-CD1 4.2Å; V429-L479 HydrophobicContact CB-CD2 4.26Å; V429-L479 HydrophobicContact CG2-CD1 4.02Å; E430-L479 HydrophobicContact CG-CD1 4.08Å; N433-L479 HydrophobicContact CB-CD1 4.32Å; N433-L479 HydrophobicContact CB-CD2 4.04Å; N433-L479 HydrophobicContact CB-CG 4.36Å; L466-L479 HydrophobicContact CD1-CD2 4.33Å; L466-L479 HydrophobicContact CD2-CD2 3.91Å; V477-L479 HydrophobicContact CG2-CD2 4.22Å; V477-L479 PolarHBondContact O-N 3.44Å; L479-K481 PolarHBondContact O-N 3.34Å; L479-W482 PolarHBondContact O-N 3.21Å; L479-V483 WeakPolarHBondContact O-CG1 3.4Å; L479-V483 PolarHBondContact O-N 3.33Å; L479-F506 HydrophobicContact CB-CD1 4.47Å; L479-F506 HydrophobicContact CD2-CD1 4.48Å; L479-F506 HydrophobicContact CD2-CE1 4.22Å |
| 480 | A | 98.3 | Very high | 97.8 | Very high | 49 Ų | 49 | 41 Ų | 41 | 41% | 0.405 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N478 S484 | N478-A480 PolarHBondContact O-N 2.94Å; N478-A480 PolarHBondContact OD1-N 2.99Å; A480-S484 WeakPolarHBondContact O-CB 3.47Å; A480-S484 PolarHBondContact O-N 2.87Å; A480-S484 PolarHBondContact O-OG 3.23Å |
| 481 | K | 98.3 | Very high | 97.8 | Very high | 139 Ų | 139 | 41 Ų | 41 | 60% | 0.604 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -67.7 | -43.9 | 174.7 | -176.2 | 177.5 | 179.5 | 179.3 | 0 | 111.3 | N478 L479 V483 S484 L485 | N478-K481 HydrophobicContact CB-CB 4.12Å; N478-K481 PolarHBondContact O-N 3.02Å; N478-K481 WeakPolarHBondContact OD1-CB 3.24Å; N478-K481 PolarHBondContact OD1-N 3.13Å; L479-K481 PolarHBondContact O-N 3.34Å; K481-V483 PolarHBondContact O-N 2.61Å; K481-S484 PolarHBondContact O-N 3.28Å; K481-L485 HydrophobicContact CG-CD1 4.31Å; K481-L485 WeakPolarHBondContact O-CG 3.4Å; K481-L485 PolarHBondContact O-N 2.93Å; K481-L485 VanDerWaalsContact O-N 3.08Å |
| 482 | W | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | -177.6 | -176.8 | 90.1 | 0 | 0 | 0 | 111.9 | V462 E465 L466 E469 R473 V477 N478 L479 L485 Y486 F506 | V462-W482 HydrophobicContact CG2-CH2 4.08Å; V462-W482 HydrophobicContact CG2-CZ3 3.77Å; V462-W482 WeakPolarHBondContact O-CH2 3.47Å; E465-W482 HydrophobicContact CB-CH2 4.32Å; E465-W482 HydrophobicContact CB-CZ2 4.5Å; E465-W482 HydrophobicContact CG-CH2 4.09Å; E465-W482 HydrophobicContact CG-CZ2 3.95Å; L466-W482 VanDerWaalsContact CA-CZ2 3.49Å; L466-W482 HydrophobicContact CB-CH2 3.69Å; L466-W482 HydrophobicContact CB-CZ2 3.91Å; L466-W482 HydrophobicContact CB-CZ3 4.16Å; L466-W482 HydrophobicContact CD1-CD2 4.03Å; L466-W482 HydrophobicContact CD1-CE3 4.3Å; L466-W482 HydrophobicContact CD1-CH2 4.44Å; L466-W482 HydrophobicContact CD1-CZ2 4.15Å; E469-W482 PolarHBondContact OE2-NE1 3.27Å; R473-W482 VanDerWaalsContact NH2-CD1 3.29Å; V477-W482 HydrophobicContact CB-CB 4.25Å; V477-W482 HydrophobicContact CG2-CB 4Å; V477-W482 HydrophobicContact CG2-CG 4.04Å; N478-W482 WeakPolarHBondContact O-CB 3.39Å; N478-W482 PolarHBondContact O-N 3.14Å; L479-W482 PolarHBondContact O-N 3.21Å; W482-L485 PolarHBondContact O-N 3.11Å; W482-Y486 HydrophobicContact CH2-CD2 4.05Å; W482-Y486 HydrophobicContact CH2-CG 4.44Å; W482-Y486 HydrophobicContact CZ3-CD2 4.39Å; W482-Y486 HydrophobicContact CZ3-CG 4.33Å; W482-Y486 PolarHBondContact O-N 3.46Å; W482-F506 AromaticContact CE3-CE1 3.96Å; W482-F506 HydrophobicContact CE3-CE1 3.96Å; W482-F506 HydrophobicContact CE3-CZ 4.1Å; W482-F506 AromaticContact CZ3-CE1 4Å; W482-F506 HydrophobicContact CZ3-CE1 4Å; W482-F506 AromaticContact CZ3-CZ 3.66Å; W482-F506 HydrophobicContact CZ3-CZ 3.66Å |
| 483 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.5 | -32.5 | 180 | 78.3 | 0 | 0 | 0 | 0 | 112.2 | L479 K481 L485 Y486 A487 W502 K503 F506 | L479-V483 WeakPolarHBondContact O-CG1 3.4Å; L479-V483 PolarHBondContact O-N 3.33Å; K481-V483 PolarHBondContact O-N 2.61Å; V483-L485 VanDerWaalsContact C-N 3.33Å; V483-L485 PolarHBondContact O-N 3.45Å; V483-Y486 WeakPolarHBondContact O-CA 3.38Å; V483-Y486 VanDerWaalsContact O-CB 3.31Å; V483-Y486 WeakPolarHBondContact O-CB 3.22Å; V483-Y486 PolarHBondContact O-N 3.03Å; V483-A487 PolarHBondContact O-N 3.25Å; V483-W502 HydrophobicContact CG2-CB 3.83Å; V483-W502 HydrophobicContact CG2-CD2 4.33Å; V483-W502 HydrophobicContact CG2-CE3 3.94Å; V483-W502 HydrophobicContact CG2-CG 4.34Å; V483-K503 HydrophobicContact CG1-CG 4.06Å; V483-F506 HydrophobicContact CB-CD1 3.7Å; V483-F506 HydrophobicContact CB-CD2 4.06Å; V483-F506 HydrophobicContact CB-CE1 3.85Å; V483-F506 HydrophobicContact CB-CE2 4.22Å; V483-F506 HydrophobicContact CB-CG 3.82Å; V483-F506 HydrophobicContact CB-CZ 4.13Å; V483-F506 HydrophobicContact CG1-CB 4.24Å; V483-F506 HydrophobicContact CG1-CD1 4.11Å; V483-F506 HydrophobicContact CG1-CG 4.01Å; V483-F506 HydrophobicContact CG2-CB 4.48Å; V483-F506 HydrophobicContact CG2-CD1 3.91Å; V483-F506 HydrophobicContact CG2-CD2 3.31Å; V483-F506 HydrophobicContact CG2-CE1 3.94Å; V483-F506 HydrophobicContact CG2-CE2 3.39Å; V483-F506 HydrophobicContact CG2-CG 3.61Å; V483-F506 HydrophobicContact CG2-CZ 3.72Å |
| 484 | S | 98.3 | Very high | 97.2 | Very high | 18 Ų | 18 | 47 Ų | 47 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 171.5 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | A480 K481 Y486 A487 V488 T499 K503 | A480-S484 WeakPolarHBondContact O-CB 3.47Å; A480-S484 PolarHBondContact O-N 2.87Å; A480-S484 PolarHBondContact O-OG 3.23Å; K481-S484 PolarHBondContact O-N 3.28Å; S484-Y486 PolarHBondContact O-N 3.36Å; S484-A487 PolarHBondContact O-N 3.48Å; S484-V488 WeakPolarHBondContact O-CG2 3.3Å; S484-V488 PolarHBondContact O-N 3.46Å; S484-T499 WeakPolarHBondContact OG-CG2 3.42Å; S484-K503 WeakPolarHBondContact OG-CE 3.02Å |
| 485 | L | 98.2 | Very high | 97.4 | Very high | 71 Ų | 71 | 42.1 Ų | 42.1 | 37% | 0.372 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.4 | -24.7 | 175.5 | -66.2 | 173.9 | 0 | 0 | 0 | 112.2 | Y104 K481 W482 V483 R489 | Y104-L485 HydrophobicContact CE1-CD1 4.45Å; K481-L485 HydrophobicContact CG-CD1 4.31Å; K481-L485 WeakPolarHBondContact O-CG 3.4Å; K481-L485 PolarHBondContact O-N 2.93Å; K481-L485 VanDerWaalsContact O-N 3.08Å; W482-L485 PolarHBondContact O-N 3.11Å; V483-L485 VanDerWaalsContact C-N 3.33Å; V483-L485 PolarHBondContact O-N 3.45Å; L485-R489 VanDerWaalsContact O-CG 3.29Å; L485-R489 WeakPolarHBondContact O-CG 3.24Å; L485-R489 PolarHBondContact O-N 2.95Å; L485-R489 VanDerWaalsContact O-N 3.15Å; L485-R489 PolarHBondContact O-NH1 3.37Å |
| 486 | Y | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.2 | -47.5 | 176.1 | 173.4 | -93.4 | 0 | 0 | 0 | 110.5 | H109 V462 E465 W482 V483 S484 V488 R489 R490 W502 | H109-Y486 AromaticContact CE1-CE2 3.63Å; H109-Y486 AromaticContact NE2-CE2 3.8Å; V462-Y486 HydrophobicContact CB-CD1 4.45Å; V462-Y486 HydrophobicContact CB-CE1 3.78Å; V462-Y486 HydrophobicContact CB-CE2 4.11Å; V462-Y486 HydrophobicContact CG2-CD1 3.66Å; V462-Y486 HydrophobicContact CG2-CD2 4.02Å; V462-Y486 HydrophobicContact CG2-CE1 3.48Å; V462-Y486 VanDerWaalsContact CG2-CE1 3.48Å; V462-Y486 HydrophobicContact CG2-CE2 3.85Å; V462-Y486 HydrophobicContact CG2-CG 3.92Å; V462-Y486 PolarHBondContact N-OH 2.73Å; E465-Y486 HydrophobicContact CB-CE2 4.25Å; E465-Y486 HydrophobicContact CG-CD2 4.09Å; E465-Y486 HydrophobicContact CG-CE2 4.04Å; W482-Y486 HydrophobicContact CH2-CD2 4.05Å; W482-Y486 HydrophobicContact CH2-CG 4.44Å; W482-Y486 HydrophobicContact CZ3-CD2 4.39Å; W482-Y486 HydrophobicContact CZ3-CG 4.33Å; W482-Y486 PolarHBondContact O-N 3.46Å; V483-Y486 WeakPolarHBondContact O-CA 3.38Å; V483-Y486 VanDerWaalsContact O-CB 3.31Å; V483-Y486 WeakPolarHBondContact O-CB 3.22Å; V483-Y486 PolarHBondContact O-N 3.03Å; S484-Y486 PolarHBondContact O-N 3.36Å; Y486-V488 VanDerWaalsContact C-N 3.31Å; Y486-V488 PolarHBondContact O-N 3.14Å; Y486-R489 WeakPolarHBondContact O-CG 3.27Å; Y486-R489 PolarHBondContact O-N 2.98Å; Y486-R490 HydrophobicContact CE1-CB 4.45Å; Y486-R490 WeakPolarHBondContact O-CB 3.31Å; Y486-R490 PolarHBondContact O-N 3.4Å; Y486-R490 WeakPolarHBondContact OH-CD 3.4Å; Y486-R490 PolarHBondContact OH-NE 2.91Å; Y486-R490 PolarHBondContact OH-NH1 3.12Å; Y486-W502 HydrophobicContact CD1-CD2 4.24Å; Y486-W502 HydrophobicContact CD1-CE3 4.37Å; Y486-W502 HydrophobicContact CD1-CH2 4.46Å; Y486-W502 HydrophobicContact CD1-CZ2 4.31Å; Y486-W502 HydrophobicContact CD1-CZ3 4.48Å; Y486-W502 HydrophobicContact CE1-CD2 4.34Å; Y486-W502 AromaticContact CE1-CE2 3.97Å; Y486-W502 HydrophobicContact CE1-CE3 4.34Å; Y486-W502 AromaticContact CE1-CH2 3.67Å; Y486-W502 HydrophobicContact CE1-CH2 3.67Å; Y486-W502 AromaticContact CE1-CZ2 3.64Å; Y486-W502 HydrophobicContact CE1-CZ2 3.64Å; Y486-W502 HydrophobicContact CE1-CZ3 4.02Å |
| 487 | A | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.6 | -48.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V483 S484 R489 R490 Y491 W502 | V483-A487 PolarHBondContact O-N 3.25Å; S484-A487 PolarHBondContact O-N 3.48Å; A487-R489 PolarHBondContact O-N 3.04Å; A487-R490 PolarHBondContact O-N 3.37Å; A487-Y491 HydrophobicContact CB-CD2 4.46Å; A487-Y491 HydrophobicContact CB-CE2 4.3Å; A487-Y491 WeakPolarHBondContact O-CD2 3.38Å; A487-Y491 PolarHBondContact O-N 3.41Å; A487-Y491 VanDerWaalsContact O-N 3.1Å; A487-W502 HydrophobicContact CB-CB 4.39Å; A487-W502 HydrophobicContact CB-CG 4.02Å |
| 488 | V | 97.7 | Very high | 97.5 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.1 | -52.1 | -178.8 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | S484 Y486 G492 G493 M494 | S484-V488 WeakPolarHBondContact O-CG2 3.3Å; S484-V488 PolarHBondContact O-N 3.46Å; Y486-V488 VanDerWaalsContact C-N 3.31Å; Y486-V488 PolarHBondContact O-N 3.14Å; V488-G492 WeakPolarHBondContact O-CA 3.3Å; V488-G492 PolarHBondContact O-N 3.19Å; V488-G493 PolarHBondContact O-N 2.98Å; V488-M494 HydrophobicContact CG2-CB 4.43Å; V488-M494 HydrophobicContact CG2-CG 4.34Å |
| 489 | R | 97.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.011 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.7 | -32.6 | -178.7 | 69.3 | -170.1 | 174.8 | -100.8 | 5.2 | 112.9 | N107 H109 Q116 L485 Y486 A487 Y491 | N107-R489 WeakPolarHBondContact O-CA 3.39Å; N107-R489 VanDerWaalsContact O-O 3.07Å; H109-R489 HydrophobicContact CB-CG 4.31Å; H109-R489 WeakPolarHBondContact CB-O 3.25Å; Q116-R489 WeakPolarHBondContact CB-O 3.42Å; L485-R489 VanDerWaalsContact O-CG 3.29Å; L485-R489 WeakPolarHBondContact O-CG 3.24Å; L485-R489 PolarHBondContact O-N 2.95Å; L485-R489 VanDerWaalsContact O-N 3.15Å; L485-R489 PolarHBondContact O-NH1 3.37Å; Y486-R489 WeakPolarHBondContact O-CG 3.27Å; Y486-R489 PolarHBondContact O-N 2.98Å; A487-R489 PolarHBondContact O-N 3.04Å; R489-Y491 VanDerWaalsContact C-N 3.33Å; R489-Y491 PolarHBondContact O-N 3.02Å |
| 490 | R | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.8 | -34.4 | 179.5 | -177.7 | 161 | 178.5 | 84.4 | 0.3 | 112.3 | H109 S111 S113 Y486 A487 T563 D567 | H109-R490 PolarHBondContact NE2-NH1 2.96Å; S111-R490 PolarHBondContact OG-NH1 3.15Å; S111-R490 VanDerWaalsContact OG-NH1 3.14Å; S113-R490 PolarHBondContact OG-NH1 3.07Å; S113-R490 PolarHBondContact OG-NH2 3.16Å; Y486-R490 HydrophobicContact CE1-CB 4.45Å; Y486-R490 WeakPolarHBondContact O-CB 3.31Å; Y486-R490 PolarHBondContact O-N 3.4Å; Y486-R490 WeakPolarHBondContact OH-CD 3.4Å; Y486-R490 PolarHBondContact OH-NE 2.91Å; Y486-R490 PolarHBondContact OH-NH1 3.12Å; A487-R490 PolarHBondContact O-N 3.37Å; R490-T563 HydrophobicContact CG-CG2 4.24Å; R490-T563 WeakPolarHBondContact O-CB 3.45Å; R490-T563 PolarHBondContact O-OG1 3.34Å; R490-D567 WeakPolarHBondContact CD-OD2 3.4Å; R490-D567 IonicContact CZ-OD1 2.79Å; R490-D567 IonicContact CZ-OD2 2.82Å; R490-D567 IonicContact NE-OD1 2.71Å; R490-D567 PolarHBondContact NE-OD1 3.48Å; R490-D567 IonicContact NE-OD2 3.32Å; R490-D567 PolarHBondContact NE-OD2 3.05Å; R490-D567 IonicContact NH2-OD1 2.87Å; R490-D567 PolarHBondContact NH2-OD1 3.2Å; R490-D567 IonicContact NH2-OD2 3.66Å; R490-D567 PolarHBondContact NH2-OD2 2.98Å |
| 491 | Y | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -106.1 | -9.7 | -177.5 | -50.5 | -44.1 | 0 | 0 | 0 | 114.1 | A487 R489 G493 L498 W502 F551 F564 D567 | A487-Y491 HydrophobicContact CB-CD2 4.46Å; A487-Y491 HydrophobicContact CB-CE2 4.3Å; A487-Y491 WeakPolarHBondContact O-CD2 3.38Å; A487-Y491 PolarHBondContact O-N 3.41Å; A487-Y491 VanDerWaalsContact O-N 3.1Å; R489-Y491 VanDerWaalsContact C-N 3.33Å; R489-Y491 PolarHBondContact O-N 3.02Å; Y491-G493 VanDerWaalsContact C-N 3.33Å; Y491-L498 HydrophobicContact CD2-CB 4.37Å; Y491-L498 HydrophobicContact CD2-CD1 3.53Å; Y491-L498 HydrophobicContact CD2-CG 4.43Å; Y491-L498 HydrophobicContact CE2-CB 4.11Å; Y491-L498 HydrophobicContact CE2-CD1 3.71Å; Y491-L498 HydrophobicContact CE2-CD2 4.17Å; Y491-L498 HydrophobicContact CE2-CG 4.2Å; Y491-L498 HydrophobicContact CG-CD1 4.38Å; Y491-W502 AromaticContact CE2-NE1 3.47Å; Y491-W502 AromaticContact CZ-NE1 3.5Å; Y491-W502 PolarHBondContact OH-NE1 3.31Å; Y491-F551 WeakPolarHBondContact OH-CE1 3.18Å; Y491-F551 VanDerWaalsContact OH-CZ 3.23Å; Y491-F551 WeakPolarHBondContact OH-CZ 3.33Å; Y491-F564 HydrophobicContact CD1-CB 3.83Å; Y491-F564 HydrophobicContact CD1-CD2 4.1Å; Y491-F564 HydrophobicContact CD1-CG 4.5Å; Y491-F564 HydrophobicContact CE1-CB 3.99Å; Y491-F564 AromaticContact CE1-CD2 3.95Å; Y491-F564 HydrophobicContact CE1-CD2 3.95Å; Y491-F564 HydrophobicContact CE1-CG 4.48Å; Y491-F564 HydrophobicContact CE2-CD2 4.39Å; Y491-F564 HydrophobicContact CG-CD2 4.39Å; Y491-D567 VanDerWaalsContact CE1-OD2 3.28Å; Y491-D567 WeakPolarHBondContact CE1-OD2 3.29Å; Y491-D567 PolarHBondContact OH-OD2 3.47Å |
| 492 | G | 94.6 | Very high | 97.5 | Very high | 28 Ų | 28 | 28.5 Ų | 28.5 | 29% | 0.289 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 15.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V488 | V488-G492 WeakPolarHBondContact O-CA 3.3Å; V488-G492 PolarHBondContact O-N 3.19Å |
| 493 | G | 90.9 | Very high | 97.5 | Very high | 24 Ų | 24 | 32.3 Ų | 32.3 | 25% | 0.247 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -163.7 | 151.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V488 Y491 | V488-G493 PolarHBondContact O-N 2.98Å; Y491-G493 VanDerWaalsContact C-N 3.33Å |
| 494 | M | 94.1 | Very high | 97.5 | Very high | 150 Ų | 150 | 34.1 Ų | 34.1 | 74% | 0.739 | 20% | 0.195 | S | C | * | . | trans | -82.5 | 135.7 | 175.3 | -167.2 | 171.4 | 77.7 | 0 | 0 | 110.2 | V488 | V488-M494 HydrophobicContact CG2-CB 4.43Å; V488-M494 HydrophobicContact CG2-CG 4.34Å | ||
| 495 | N | 97.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 33.3 Ų | 33.3 | 20% | 0.198 | 19% | 0.189 | C | C | . | . | trans | -151.3 | 128.3 | 174.3 | 178.5 | -82.7 | 0 | 0 | 0 | 108.7 | N497 L498 T499 F558 | N495-N497 WeakPolarHBondContact OD1-CA 3.39Å; N495-N497 VanDerWaalsContact OD1-CB 3.31Å; N495-N497 WeakPolarHBondContact OD1-CB 3.46Å; N495-N497 PolarHBondContact OD1-N 3.38Å; N495-N497 VanDerWaalsContact OD1-N 3.09Å; N495-L498 HydrophobicContact CB-CB 4.26Å; N495-L498 HydrophobicContact CB-CD1 4.09Å; N495-L498 HydrophobicContact CB-CG 4.27Å; N495-L498 PolarHBondContact O-N 3.22Å; N495-L498 PolarHBondContact OD1-N 2.85Å; N495-T499 WeakPolarHBondContact O-CB 3.45Å; N495-T499 PolarHBondContact O-N 2.67Å; N495-T499 PolarHBondContact O-OG1 3.39Å; N495-F558 HydrophobicContact CB-CE2 3.73Å; N495-F558 HydrophobicContact CB-CZ 3.87Å | ||
| 496 | D | 97.9 | Very high | 97.6 | Very high | 121 Ų | 121 | 30.2 Ų | 30.2 | 65% | 0.647 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -68.9 | -38 | -173.8 | -67.4 | -21.8 | 0 | 0 | 0 | 111.6 | T499 A500 | D496-T499 WeakPolarHBondContact O-CB 3.36Å; D496-T499 PolarHBondContact O-N 3.15Å; D496-A500 WeakPolarHBondContact O-CB 3.39Å; D496-A500 PolarHBondContact O-N 2.97Å |
| 497 | N | 98.5 | Very high | 97.5 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 176.5 | -70.6 | 1.1 | 0 | 0 | 0 | 111.3 | N495 T499 A500 A501 L550 E553 | N495-N497 WeakPolarHBondContact OD1-CA 3.39Å; N495-N497 VanDerWaalsContact OD1-CB 3.31Å; N495-N497 WeakPolarHBondContact OD1-CB 3.46Å; N495-N497 PolarHBondContact OD1-N 3.38Å; N495-N497 VanDerWaalsContact OD1-N 3.09Å; N497-T499 VanDerWaalsContact C-N 3.33Å; N497-T499 PolarHBondContact O-N 2.8Å; N497-A500 PolarHBondContact O-N 2.83Å; N497-A501 WeakPolarHBondContact O-CB 3.19Å; N497-A501 PolarHBondContact O-N 2.83Å; N497-L550 HydrophobicContact CB-CB 4.14Å; N497-L550 HydrophobicContact CB-CD2 3.92Å; N497-E553 VanDerWaalsContact ND2-CB 3.34Å; N497-E553 WeakPolarHBondContact ND2-CB 3.34Å; N497-E553 PolarHBondContact ND2-OE2 3.4Å |
| 498 | L | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.8 | -35.3 | 178.2 | -64.6 | 174.2 | 0 | 0 | 0 | 112.3 | Y491 N495 W502 F551 A554 F558 F564 | Y491-L498 HydrophobicContact CD2-CB 4.37Å; Y491-L498 HydrophobicContact CD2-CD1 3.53Å; Y491-L498 HydrophobicContact CD2-CG 4.43Å; Y491-L498 HydrophobicContact CE2-CB 4.11Å; Y491-L498 HydrophobicContact CE2-CD1 3.71Å; Y491-L498 HydrophobicContact CE2-CD2 4.17Å; Y491-L498 HydrophobicContact CE2-CG 4.2Å; Y491-L498 HydrophobicContact CG-CD1 4.38Å; N495-L498 HydrophobicContact CB-CB 4.26Å; N495-L498 HydrophobicContact CB-CD1 4.09Å; N495-L498 HydrophobicContact CB-CG 4.27Å; N495-L498 PolarHBondContact O-N 3.22Å; N495-L498 PolarHBondContact OD1-N 2.85Å; L498-W502 WeakPolarHBondContact O-CB 3.49Å; L498-W502 VanDerWaalsContact O-CD1 3.25Å; L498-W502 PolarHBondContact O-N 3.26Å; L498-F551 HydrophobicContact CD2-CD1 3.89Å; L498-F551 HydrophobicContact CD2-CD2 4.27Å; L498-F551 HydrophobicContact CD2-CE1 4.04Å; L498-F551 HydrophobicContact CD2-CE2 4.4Å; L498-F551 HydrophobicContact CD2-CG 4.03Å; L498-F551 HydrophobicContact CD2-CZ 4.31Å; L498-A554 HydrophobicContact CD1-CB 3.9Å; L498-A554 HydrophobicContact CD2-CB 3.77Å; L498-A554 HydrophobicContact CG-CB 3.62Å; L498-F558 HydrophobicContact CD1-CD2 3.75Å; L498-F558 HydrophobicContact CD1-CE2 3.82Å; L498-F558 HydrophobicContact CD1-CG 4.2Å; L498-F558 HydrophobicContact CD1-CZ 4.3Å; L498-F564 HydrophobicContact CD1-CD2 4.15Å; L498-F564 HydrophobicContact CD1-CE2 3.89Å; L498-F564 HydrophobicContact CD2-CD2 4.46Å; L498-F564 HydrophobicContact CD2-CE2 3.7Å; L498-F564 HydrophobicContact CG-CE2 4.44Å |
| 499 | T | 98.2 | Very high | 97.5 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 13% | 0.129 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 173.3 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | S484 N495 D496 N497 K503 | S484-T499 WeakPolarHBondContact OG-CG2 3.42Å; N495-T499 WeakPolarHBondContact O-CB 3.45Å; N495-T499 PolarHBondContact O-N 2.67Å; N495-T499 PolarHBondContact O-OG1 3.39Å; D496-T499 WeakPolarHBondContact O-CB 3.36Å; D496-T499 PolarHBondContact O-N 3.15Å; N497-T499 VanDerWaalsContact C-N 3.33Å; N497-T499 PolarHBondContact O-N 2.8Å; T499-K503 WeakPolarHBondContact O-CG 3.26Å; T499-K503 PolarHBondContact O-N 2.83Å |
| 500 | A | 98.7 | Very high | 97.6 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.2 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D496 N497 W502 K503 L504 L550 | D496-A500 WeakPolarHBondContact O-CB 3.39Å; D496-A500 PolarHBondContact O-N 2.97Å; N497-A500 PolarHBondContact O-N 2.83Å; A500-W502 PolarHBondContact O-N 3.42Å; A500-K503 WeakPolarHBondContact O-CB 3.26Å; A500-K503 PolarHBondContact O-N 3.18Å; A500-L504 WeakPolarHBondContact O-CG 3.35Å; A500-L504 PolarHBondContact O-N 3.05Å; A500-L550 HydrophobicContact CB-CD1 3.85Å |
| 501 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N497 K503 L504 L505 A547 L550 F551 | N497-A501 WeakPolarHBondContact O-CB 3.19Å; N497-A501 PolarHBondContact O-N 2.83Å; A501-K503 VanDerWaalsContact C-N 3.32Å; A501-K503 PolarHBondContact O-N 3.49Å; A501-L504 WeakPolarHBondContact O-CB 3.37Å; A501-L504 PolarHBondContact O-N 3.04Å; A501-L505 WeakPolarHBondContact O-CG 3.49Å; A501-L505 PolarHBondContact O-N 3.23Å; A501-A547 HydrophobicContact CB-CB 4.15Å; A501-L550 HydrophobicContact CB-CB 3.83Å; A501-L550 HydrophobicContact CB-CD1 4.12Å; A501-F551 HydrophobicContact CB-CD2 3.64Å; A501-F551 HydrophobicContact CB-CE2 3.7Å |
| 502 | W | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.7 | -33.7 | 179 | -88.7 | 108.4 | 0 | 0 | 0 | 113.2 | V462 V483 Y486 A487 Y491 L498 A500 L505 F506 Y510 F551 | V462-W502 HydrophobicContact CB-CH2 4.29Å; V462-W502 HydrophobicContact CB-CZ3 4.02Å; V462-W502 HydrophobicContact CG1-CH2 4.46Å; V462-W502 HydrophobicContact CG1-CZ3 3.96Å; V462-W502 HydrophobicContact CG2-CZ3 4.03Å; V483-W502 HydrophobicContact CG2-CB 3.83Å; V483-W502 HydrophobicContact CG2-CD2 4.33Å; V483-W502 HydrophobicContact CG2-CE3 3.94Å; V483-W502 HydrophobicContact CG2-CG 4.34Å; Y486-W502 HydrophobicContact CD1-CD2 4.24Å; Y486-W502 HydrophobicContact CD1-CE3 4.37Å; Y486-W502 HydrophobicContact CD1-CH2 4.46Å; Y486-W502 HydrophobicContact CD1-CZ2 4.31Å; Y486-W502 HydrophobicContact CD1-CZ3 4.48Å; Y486-W502 HydrophobicContact CE1-CD2 4.34Å; Y486-W502 AromaticContact CE1-CE2 3.97Å; Y486-W502 HydrophobicContact CE1-CE3 4.34Å; Y486-W502 AromaticContact CE1-CH2 3.67Å; Y486-W502 HydrophobicContact CE1-CH2 3.67Å; Y486-W502 AromaticContact CE1-CZ2 3.64Å; Y486-W502 HydrophobicContact CE1-CZ2 3.64Å; Y486-W502 HydrophobicContact CE1-CZ3 4.02Å; A487-W502 HydrophobicContact CB-CB 4.39Å; A487-W502 HydrophobicContact CB-CG 4.02Å; Y491-W502 AromaticContact CE2-NE1 3.47Å; Y491-W502 AromaticContact CZ-NE1 3.5Å; Y491-W502 PolarHBondContact OH-NE1 3.31Å; L498-W502 WeakPolarHBondContact O-CB 3.49Å; L498-W502 VanDerWaalsContact O-CD1 3.25Å; L498-W502 PolarHBondContact O-N 3.26Å; A500-W502 PolarHBondContact O-N 3.42Å; W502-L505 HydrophobicContact CE3-CD1 4.26Å; W502-L505 HydrophobicContact CZ3-CD1 4.41Å; W502-F506 HydrophobicContact CE3-CD2 4.33Å; W502-F506 HydrophobicContact CE3-CE2 4.32Å; W502-F506 HydrophobicContact CZ3-CE2 4.46Å; W502-F506 WeakPolarHBondContact O-CB 3.33Å; W502-F506 PolarHBondContact O-N 3.48Å; W502-Y510 AromaticContact CZ3-CE2 3.85Å; W502-Y510 HydrophobicContact CZ3-CE2 3.85Å; W502-F551 HydrophobicContact CZ2-CZ 4.29Å; W502-F551 AromaticContact NE1-CZ 3.74Å |
| 503 | K | 98.8 | Very high | 97.6 | Very high | 87 Ų | 87 | 39.2 Ų | 39.2 | 38% | 0.378 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.8 | -46.5 | 171.4 | -73.2 | 172.9 | -174.4 | 175.4 | 0 | 111.2 | V483 S484 T499 A500 A501 L505 F506 T507 | V483-K503 HydrophobicContact CG1-CG 4.06Å; S484-K503 WeakPolarHBondContact OG-CE 3.02Å; T499-K503 WeakPolarHBondContact O-CG 3.26Å; T499-K503 PolarHBondContact O-N 2.83Å; A500-K503 WeakPolarHBondContact O-CB 3.26Å; A500-K503 PolarHBondContact O-N 3.18Å; A501-K503 VanDerWaalsContact C-N 3.32Å; A501-K503 PolarHBondContact O-N 3.49Å; K503-L505 PolarHBondContact O-N 3.45Å; K503-F506 PolarHBondContact O-N 2.79Å; K503-F506 VanDerWaalsContact O-N 3.14Å; K503-T507 PolarHBondContact O-N 3.4Å; K503-T507 PolarHBondContact O-OG1 3.48Å |
| 504 | L | 98.9 | Very high | 97.7 | Very high | 39 Ų | 39 | 42 Ų | 42 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 176.5 | -71.7 | 168.8 | 0 | 0 | 0 | 111.3 | A500 A501 F506 T507 S508 D543 E546 A547 L550 | A500-L504 WeakPolarHBondContact O-CG 3.35Å; A500-L504 PolarHBondContact O-N 3.05Å; A501-L504 WeakPolarHBondContact O-CB 3.37Å; A501-L504 PolarHBondContact O-N 3.04Å; L504-F506 VanDerWaalsContact C-N 3.28Å; L504-F506 PolarHBondContact O-N 2.96Å; L504-T507 PolarHBondContact O-N 3.11Å; L504-T507 PolarHBondContact O-OG1 2.65Å; L504-T507 VanDerWaalsContact O-OG1 3.12Å; L504-S508 WeakPolarHBondContact O-CB 3.37Å; L504-S508 PolarHBondContact O-N 2.69Å; L504-S508 PolarHBondContact O-OG 2.78Å; L504-D543 HydrophobicContact CD2-CB 4.39Å; L504-E546 HydrophobicContact CD1-CB 4.02Å; L504-E546 HydrophobicContact CD1-CG 3.89Å; L504-A547 HydrophobicContact CB-CB 4.29Å; L504-L550 HydrophobicContact CD1-CD1 3.97Å |
| 505 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -38.7 | 176.5 | -65.3 | 175.4 | 0 | 0 | 0 | 111.7 | F425 A501 W502 K503 S508 V509 Y510 L544 A547 F551 V571 | F425-L505 HydrophobicContact CD2-CD2 4.18Å; F425-L505 HydrophobicContact CE2-CD1 4.41Å; F425-L505 HydrophobicContact CE2-CD2 4.06Å; A501-L505 WeakPolarHBondContact O-CG 3.49Å; A501-L505 PolarHBondContact O-N 3.23Å; W502-L505 HydrophobicContact CE3-CD1 4.26Å; W502-L505 HydrophobicContact CZ3-CD1 4.41Å; K503-L505 PolarHBondContact O-N 3.45Å; L505-S508 PolarHBondContact O-N 3.1Å; L505-V509 HydrophobicContact CB-CG2 4.09Å; L505-V509 HydrophobicContact CD2-CG2 3.85Å; L505-V509 WeakPolarHBondContact O-CG2 3.31Å; L505-V509 PolarHBondContact O-N 3.15Å; L505-Y510 HydrophobicContact CB-CD2 3.89Å; L505-Y510 HydrophobicContact CB-CE2 4.06Å; L505-Y510 WeakPolarHBondContact O-CB 3.46Å; L505-Y510 WeakPolarHBondContact O-CD2 3.34Å; L505-Y510 PolarHBondContact O-N 3.39Å; L505-L544 HydrophobicContact CD2-CD1 3.95Å; L505-A547 HydrophobicContact CD2-CB 3.79Å; L505-A547 HydrophobicContact CG-CB 3.87Å; L505-F551 HydrophobicContact CD1-CE2 4.04Å; L505-V571 HydrophobicContact CD1-CG2 4.29Å |
| 506 | F | 98.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68 | -33.9 | 177.5 | -101.3 | -126.4 | 0 | 0 | 0 | 113.9 | V429 V462 L479 W482 V483 W502 K503 L504 Y510 N511 | V429-F506 HydrophobicContact CB-CD1 4.47Å; V429-F506 HydrophobicContact CB-CE1 4.36Å; V429-F506 HydrophobicContact CG1-CD1 4.13Å; V429-F506 HydrophobicContact CG1-CE1 3.79Å; V429-F506 HydrophobicContact CG1-CZ 3.97Å; V429-F506 HydrophobicContact CG2-CD1 4.37Å; V462-F506 HydrophobicContact CB-CE2 4.33Å; V462-F506 HydrophobicContact CG1-CE2 3.93Å; V462-F506 HydrophobicContact CG1-CZ 4.43Å; V462-F506 HydrophobicContact CG2-CE2 3.45Å; V462-F506 VanDerWaalsContact CG2-CE2 3.45Å; V462-F506 HydrophobicContact CG2-CZ 3.54Å; L479-F506 HydrophobicContact CB-CD1 4.47Å; L479-F506 HydrophobicContact CD2-CD1 4.48Å; L479-F506 HydrophobicContact CD2-CE1 4.22Å; W482-F506 AromaticContact CE3-CE1 3.96Å; W482-F506 HydrophobicContact CE3-CE1 3.96Å; W482-F506 HydrophobicContact CE3-CZ 4.1Å; W482-F506 AromaticContact CZ3-CE1 4Å; W482-F506 HydrophobicContact CZ3-CE1 4Å; W482-F506 AromaticContact CZ3-CZ 3.66Å; W482-F506 HydrophobicContact CZ3-CZ 3.66Å; V483-F506 HydrophobicContact CB-CD1 3.7Å; V483-F506 HydrophobicContact CB-CD2 4.06Å; V483-F506 HydrophobicContact CB-CE1 3.85Å; V483-F506 HydrophobicContact CB-CE2 4.22Å; V483-F506 HydrophobicContact CB-CG 3.82Å; V483-F506 HydrophobicContact CB-CZ 4.13Å; V483-F506 HydrophobicContact CG1-CB 4.24Å; V483-F506 HydrophobicContact CG1-CD1 4.11Å; V483-F506 HydrophobicContact CG1-CG 4.01Å; V483-F506 HydrophobicContact CG2-CB 4.48Å; V483-F506 HydrophobicContact CG2-CD1 3.91Å; V483-F506 HydrophobicContact CG2-CD2 3.31Å; V483-F506 HydrophobicContact CG2-CE1 3.94Å; V483-F506 HydrophobicContact CG2-CE2 3.39Å; V483-F506 HydrophobicContact CG2-CG 3.61Å; V483-F506 HydrophobicContact CG2-CZ 3.72Å; W502-F506 HydrophobicContact CE3-CD2 4.33Å; W502-F506 HydrophobicContact CE3-CE2 4.32Å; W502-F506 HydrophobicContact CZ3-CE2 4.46Å; W502-F506 WeakPolarHBondContact O-CB 3.33Å; W502-F506 PolarHBondContact O-N 3.48Å; K503-F506 PolarHBondContact O-N 2.79Å; K503-F506 VanDerWaalsContact O-N 3.14Å; L504-F506 VanDerWaalsContact C-N 3.28Å; L504-F506 PolarHBondContact O-N 2.96Å; F506-Y510 AromaticContact CD2-CD2 3.93Å; F506-Y510 HydrophobicContact CD2-CD2 3.93Å; F506-Y510 HydrophobicContact CD2-CG 4.39Å; F506-Y510 HydrophobicContact CE2-CD2 4.11Å; F506-Y510 HydrophobicContact CE2-CG 4.42Å; F506-N511 VanDerWaalsContact O-CB 3.27Å; F506-N511 WeakPolarHBondContact O-CB 3.48Å |
| 507 | T | 97.6 | Very high | 96.3 | Very high | 93 Ų | 93 | 37 Ų | 37 | 57% | 0.571 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -85.2 | -14.2 | 178 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | K503 L504 | K503-T507 PolarHBondContact O-N 3.4Å; K503-T507 PolarHBondContact O-OG1 3.48Å; L504-T507 PolarHBondContact O-N 3.11Å; L504-T507 PolarHBondContact O-OG1 2.65Å; L504-T507 VanDerWaalsContact O-OG1 3.12Å |
| 508 | S | 98.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -100.1 | -177.8 | 61.5 | 0 | 0 | 0 | 0 | 112.2 | L504 L505 Y510 N511 | L504-S508 WeakPolarHBondContact O-CB 3.37Å; L504-S508 PolarHBondContact O-N 2.69Å; L504-S508 PolarHBondContact O-OG 2.78Å; L505-S508 PolarHBondContact O-N 3.1Å; S508-Y510 PolarHBondContact O-N 2.96Å; S508-Y510 VanDerWaalsContact O-N 3.13Å; S508-N511 PolarHBondContact O-N 3.32Å |
| 509 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -33.1 | -172.1 | -61.3 | 0 | 0 | 0 | 0 | 113.7 | F425 F426 G427 L505 W538 Y539 L544 | F425-V509 HydrophobicContact CB-CB 3.67Å; F425-V509 HydrophobicContact CB-CG1 4.2Å; F425-V509 HydrophobicContact CB-CG2 3.66Å; F425-V509 HydrophobicContact CD2-CB 4.49Å; F425-V509 HydrophobicContact CD2-CG2 3.87Å; F425-V509 HydrophobicContact CG-CG2 4.13Å; F426-V509 WeakPolarHBondContact CA-O 3.37Å; G427-V509 PolarHBondContact N-O 3.08Å; L505-V509 HydrophobicContact CB-CG2 4.09Å; L505-V509 HydrophobicContact CD2-CG2 3.85Å; L505-V509 WeakPolarHBondContact O-CG2 3.31Å; L505-V509 PolarHBondContact O-N 3.15Å; V509-W538 PolarHBondContact O-NE1 3.25Å; V509-Y539 HydrophobicContact CB-CD1 4.46Å; V509-Y539 HydrophobicContact CB-CE1 4.44Å; V509-Y539 HydrophobicContact CG1-CD1 3.97Å; V509-Y539 HydrophobicContact CG1-CD2 3.78Å; V509-Y539 HydrophobicContact CG1-CE1 3.75Å; V509-Y539 HydrophobicContact CG1-CE2 3.58Å; V509-Y539 HydrophobicContact CG1-CG 3.99Å; V509-L544 HydrophobicContact CG1-CD1 4.4Å |
| 510 | Y | 98.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 1.9 | -179.8 | -70.3 | -60.6 | 0 | 0 | 0 | 114 | F425 F426 G427 T428 V429 N460 V462 I463 W502 L505 F506 S508 | F425-Y510 WeakPolarHBondContact CD1-OH 3.34Å; F426-Y510 VanDerWaalsContact O-CD1 3.3Å; F426-Y510 WeakPolarHBondContact O-CD1 3.5Å; G427-Y510 VanDerWaalsContact C-C 3.49Å; G427-Y510 CarbonylContact C-O 3.57Å; G427-Y510 WeakPolarHBondContact CA-O 3.4Å; G427-Y510 CarbonylContact O-C 3.47Å; T428-Y510 PolarHBondContact N-O 2.79Å; V429-Y510 VanDerWaalsContact CG1-O 3.31Å; V429-Y510 WeakPolarHBondContact CG1-O 3.29Å; V429-Y510 WeakPolarHBondContact CG2-O 3.3Å; V429-Y510 PolarHBondContact N-O 2.8Å; N460-Y510 HydrophobicContact CB-CE1 4.04Å; N460-Y510 WeakPolarHBondContact ND2-CE1 3.46Å; N460-Y510 PolarHBondContact ND2-OH 3.05Å; V462-Y510 HydrophobicContact CG1-CD1 4.31Å; V462-Y510 HydrophobicContact CG1-CD2 4.42Å; V462-Y510 HydrophobicContact CG1-CE1 3.86Å; V462-Y510 HydrophobicContact CG1-CE2 4Å; I463-Y510 HydrophobicContact CD1-CD1 3.66Å; I463-Y510 HydrophobicContact CD1-CE1 4.3Å; I463-Y510 HydrophobicContact CD1-CG 4.24Å; I463-Y510 HydrophobicContact CG1-CD1 3.79Å; I463-Y510 HydrophobicContact CG1-CE1 3.97Å; W502-Y510 AromaticContact CZ3-CE2 3.85Å; W502-Y510 HydrophobicContact CZ3-CE2 3.85Å; L505-Y510 HydrophobicContact CB-CD2 3.89Å; L505-Y510 HydrophobicContact CB-CE2 4.06Å; L505-Y510 WeakPolarHBondContact O-CB 3.46Å; L505-Y510 WeakPolarHBondContact O-CD2 3.34Å; L505-Y510 PolarHBondContact O-N 3.39Å; F506-Y510 AromaticContact CD2-CD2 3.93Å; F506-Y510 HydrophobicContact CD2-CD2 3.93Å; F506-Y510 HydrophobicContact CD2-CG 4.39Å; F506-Y510 HydrophobicContact CE2-CD2 4.11Å; F506-Y510 HydrophobicContact CE2-CG 4.42Å; S508-Y510 PolarHBondContact O-N 2.96Å; S508-Y510 VanDerWaalsContact O-N 3.13Å |
| 511 | N | 97.9 | Very high | 94.9 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -125.3 | 61.3 | 179.1 | -166.6 | 38.2 | 0 | 0 | 0 | 112.6 | G427 V429 E430 F506 S508 T513 | G427-N511 PolarHBondContact O-N 3.49Å; V429-N511 HydrophobicContact CG2-CB 3.87Å; E430-N511 WeakPolarHBondContact CG-OD1 3.47Å; F506-N511 VanDerWaalsContact O-CB 3.27Å; F506-N511 WeakPolarHBondContact O-CB 3.48Å; S508-N511 PolarHBondContact O-N 3.32Å; N511-T513 PolarHBondContact O-N 3.39Å |
| 512 | C | 97.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | trans | -65.7 | 123.6 | 166.4 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | F426 G427 T428 Y517 W538 | F426-C512 HydrophobicContact CD2-CB 4.28Å; F426-C512 HydrophobicContact CE2-CB 3.66Å; F426-C512 HydrophobicContact CZ-CB 4.45Å; G427-C512 WeakPolarHBondContact O-CB 2.94Å; G427-C512 PolarHBondContact O-N 2.79Å; T428-C512 HydrophobicContact CG2-CB 4.23Å; T428-C512 WeakPolarHBondContact CG2-O 3.44Å; C512-Y517 VanDerWaalsContact SG-CG 3.56Å; C512-W538 HydrophobicContact CB-CD2 4.29Å; C512-W538 HydrophobicContact CB-CG 3.92Å | ||
| 513 | T | 94.6 | Very high | 94.7 | Very high | 105 Ų | 105 | 40.4 Ų | 40.4 | 64% | 0.644 | 23% | 0.228 | S | C | * | . | trans | -112.1 | 2.8 | 178.1 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | N511 P515 | N511-T513 PolarHBondContact O-N 3.39Å; T513-P515 VanDerWaalsContact O-CD 3.3Å; T513-P515 WeakPolarHBondContact O-CD 3.27Å | ||
| 514 | I | 93.8 | Very high | 94.7 | Very high | 83 Ų | 83 | 36.2 Ų | 36.2 | 43% | 0.426 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -68.7 | 119.3 | 177.7 | -58.8 | 179 | 0 | 0 | 0 | 108.4 | G516 Y517 W538 | I514-G516 PolarHBondContact O-N 3.04Å; I514-Y517 HydrophobicContact CB-CD2 4.07Å; I514-Y517 HydrophobicContact CD1-CD2 4.12Å; I514-Y517 HydrophobicContact CD1-CE2 4.44Å; I514-Y517 HydrophobicContact CG2-CD2 4.18Å; I514-Y517 WeakPolarHBondContact O-CB 3.32Å; I514-Y517 PolarHBondContact O-N 3.17Å; I514-W538 HydrophobicContact CD1-CB 3.58Å; I514-W538 HydrophobicContact CG1-CB 4.19Å |
| 515 | P | 87.3 | Confident | 94.7 | Very high | 123 Ų | 123 | 34.4 Ų | 34.4 | 80% | 0.799 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 137.7 | -179.8 | -24.7 | 35.2 | 0 | 0 | 0 | 112.3 | T513 Y517 | T513-P515 VanDerWaalsContact O-CD 3.3Å; T513-P515 WeakPolarHBondContact O-CD 3.27Å; P515-Y517 PolarHBondContact O-N 3.25Å |
| 516 | G | 82.8 | Confident | 94.7 | Very high | 31 Ų | 31 | 34.4 Ų | 34.4 | 32% | 0.32 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 15.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I514 V518 | I514-G516 PolarHBondContact O-N 3.04Å; G516-V518 PolarHBondContact O-N 3.28Å |
| 517 | Y | 89.9 | Confident | 94.7 | Very high | 48 Ų | 48 | 35.9 Ų | 35.9 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | trans | -64.7 | 116.6 | -179.6 | -168.1 | -81.7 | 0 | 0 | 0 | 111.5 | F393 F426 C512 I514 P515 W538 | F393-Y517 WeakPolarHBondContact CZ-O 3.43Å; F426-Y517 HydrophobicContact CD2-CD1 4.25Å; F426-Y517 HydrophobicContact CD2-CE1 4.14Å; F426-Y517 AromaticContact CE2-CD1 3.48Å; F426-Y517 HydrophobicContact CE2-CD1 3.48Å; F426-Y517 VanDerWaalsContact CE2-CD1 3.48Å; F426-Y517 AromaticContact CE2-CE1 3.84Å; F426-Y517 HydrophobicContact CE2-CE1 3.84Å; F426-Y517 HydrophobicContact CE2-CG 4.47Å; F426-Y517 HydrophobicContact CZ-CD1 4.17Å; C512-Y517 VanDerWaalsContact SG-CG 3.56Å; I514-Y517 HydrophobicContact CB-CD2 4.07Å; I514-Y517 HydrophobicContact CD1-CD2 4.12Å; I514-Y517 HydrophobicContact CD1-CE2 4.44Å; I514-Y517 HydrophobicContact CG2-CD2 4.18Å; I514-Y517 WeakPolarHBondContact O-CB 3.32Å; I514-Y517 PolarHBondContact O-N 3.17Å; P515-Y517 PolarHBondContact O-N 3.25Å; Y517-W538 HydrophobicContact CE1-CE3 4.1Å; Y517-W538 HydrophobicContact CE1-CH2 4.48Å; Y517-W538 AromaticContact CE1-CZ3 3.96Å; Y517-W538 HydrophobicContact CE1-CZ3 3.96Å; Y517-W538 AromaticContact CE2-CE3 3.91Å; Y517-W538 HydrophobicContact CE2-CE3 3.91Å; Y517-W538 HydrophobicContact CE2-CZ3 4.4Å; Y517-W538 AromaticContact CZ-CE3 3.5Å; Y517-W538 VanDerWaalsContact CZ-CE3 3.5Å; Y517-W538 AromaticContact CZ-CZ3 3.55Å; Y517-W538 VanDerWaalsContact OH-CE3 3.3Å; Y517-W538 WeakPolarHBondContact OH-CZ3 3.44Å | ||
| 518 | V | 88.9 | Confident | 94.7 | Very high | 49 Ų | 49 | 33.9 Ų | 33.9 | 30% | 0.297 | 19% | 0.188 | S | C | . | . | trans | -91.9 | 117 | 177.1 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | F393 F419 G516 H520 | F393-V518 HydrophobicContact CE1-CG2 4.28Å; F419-V518 HydrophobicContact CD1-CG1 4.2Å; F419-V518 HydrophobicContact CD2-CG1 3.76Å; F419-V518 HydrophobicContact CE1-CG1 3.93Å; F419-V518 HydrophobicContact CE2-CB 4.47Å; F419-V518 HydrophobicContact CE2-CG1 3.45Å; F419-V518 VanDerWaalsContact CE2-CG1 3.45Å; F419-V518 HydrophobicContact CG-CG1 4.13Å; F419-V518 HydrophobicContact CZ-CG1 3.55Å; G516-V518 PolarHBondContact O-N 3.28Å; V518-H520 WeakPolarHBondContact CG1-CD2 3.49Å; V518-H520 WeakPolarHBondContact CG1-NE2 2.96Å; V518-H520 PolarHBondContact O-N 2.76Å | ||
| 519 | N | 89.4 | Confident | 94.7 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | trans | -76.4 | 64 | -177.8 | -178.1 | 35.2 | 0 | 0 | 0 | 113.5 | N417 F419 F426 | N417-N519 VanDerWaalsContact O-CB 3.28Å; N417-N519 WeakPolarHBondContact O-CB 3.36Å; N417-N519 PolarHBondContact O-ND2 3.18Å; F419-N519 HydrophobicContact CD2-CB 4.33Å; F426-N519 HydrophobicContact CB-CB 4.47Å; F426-N519 VanDerWaalsContact CB-CG 3.43Å; F426-N519 WeakPolarHBondContact CB-ND2 3.33Å; F426-N519 VanDerWaalsContact CB-OD1 3.22Å; F426-N519 WeakPolarHBondContact CB-OD1 3.02Å; F426-N519 HydrophobicContact CD1-CB 3.42Å; F426-N519 VanDerWaalsContact CD1-CB 3.42Å; F426-N519 WeakPolarHBondContact CD1-ND2 3.38Å; F426-N519 HydrophobicContact CD2-CB 3.91Å; F426-N519 HydrophobicContact CE1-CB 3.44Å; F426-N519 VanDerWaalsContact CE1-CB 3.44Å; F426-N519 HydrophobicContact CE2-CB 3.94Å; F426-N519 HydrophobicContact CG-CB 3.66Å; F426-N519 VanDerWaalsContact CG-ND2 3.33Å; F426-N519 WeakPolarHBondContact CG-ND2 3.32Å; F426-N519 VanDerWaalsContact CG-OD1 3.24Å; F426-N519 WeakPolarHBondContact CG-OD1 3.41Å; F426-N519 HydrophobicContact CZ-CB 3.7Å | ||
| 520 | H | 90.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 14% | 0.139 | 20% | 0.195 | C | C | . | . | trans | -93.6 | 131 | 161.6 | -70 | -72.8 | 0 | 0 | 0 | 109.2 | F419 V518 H522 Y666 | F419-H520 WeakPolarHBondContact CB-CE1 3.44Å; F419-H520 VanDerWaalsContact CB-ND1 3.29Å; F419-H520 WeakPolarHBondContact CB-ND1 3.24Å; F419-H520 AromaticContact CD1-CE1 3.75Å; F419-H520 AromaticContact CD1-NE2 3.76Å; F419-H520 AromaticContact CG-CE1 3.61Å; F419-H520 AromaticContact CG-NE2 3.77Å; V518-H520 WeakPolarHBondContact CG1-CD2 3.49Å; V518-H520 WeakPolarHBondContact CG1-NE2 2.96Å; V518-H520 PolarHBondContact O-N 2.76Å; H520-H522 WeakPolarHBondContact CB-CD2 3.5Å; H520-H522 WeakPolarHBondContact CB-NE2 3.45Å; H520-H522 AromaticContact CG-NE2 3.98Å; H520-H522 PolarHBondContact O-CD2 3.26Å; H520-H522 VanDerWaalsContact O-CD2 3.28Å; H520-H522 PolarHBondContact O-N 3.27Å; H520-Y666 AromaticContact CE1-CD2 3.97Å; H520-Y666 AromaticContact CE1-CE2 3.21Å; H520-Y666 WeakPolarHBondContact CE1-CE2 3.38Å; H520-Y666 AromaticContact CE1-CZ 3.43Å; H520-Y666 VanDerWaalsContact CE1-CZ 3.43Å; H520-Y666 PolarHBondContact CE1-OH 3.16Å; H520-Y666 AromaticContact ND1-CE2 3.92Å; H520-Y666 AromaticContact NE2-CE2 3.99Å | ||
| 521 | N | 95.9 | Very high | 94.6 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | trans | -69.7 | 105.1 | 171.5 | -166.8 | -22.2 | 0 | 0 | 0 | 109.2 | N422 N423 S523 V526 R527 Q577 N668 Q670 | N422-N521 HydrophobicContact CB-CB 4Å; N422-N521 PolarHBondContact ND2-N 3.45Å; N423-N521 PolarHBondContact O-ND2 3.04Å; N521-S523 VanDerWaalsContact OD1-CB 3.22Å; N521-S523 WeakPolarHBondContact OD1-CB 3.49Å; N521-S523 PolarHBondContact OD1-N 3.48Å; N521-S523 PolarHBondContact OD1-OG 3.42Å; N521-V526 HydrophobicContact CB-CG2 4.2Å; N521-V526 WeakPolarHBondContact O-CG2 3.34Å; N521-R527 PolarHBondContact O-NE 2.87Å; N521-R527 PolarHBondContact O-NH2 3.32Å; N521-Q577 PolarHBondContact ND2-OE1 3.13Å; N521-N668 PolarHBondContact O-ND2 3.39Å; N521-Q670 PolarHBondContact ND2-NE2 3.09Å | ||
| 522 | H | 95.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 33% | 0.329 | 24% | 0.242 | S | C | . | . | trans | -107.2 | 13.7 | 175.1 | -74.6 | -78.1 | 0 | 0 | 0 | 112.5 | H520 R527 | H520-H522 WeakPolarHBondContact CB-CD2 3.5Å; H520-H522 WeakPolarHBondContact CB-NE2 3.45Å; H520-H522 AromaticContact CG-NE2 3.98Å; H520-H522 PolarHBondContact O-CD2 3.26Å; H520-H522 VanDerWaalsContact O-CD2 3.28Å; H520-H522 PolarHBondContact O-N 3.27Å; H522-R527 VanDerWaalsContact CE1-CZ 3.46Å; H522-R527 PolarHBondContact CE1-NH2 3.28Å; H522-R527 VanDerWaalsContact ND1-CZ 3.27Å; H522-R527 PolarHBondContact ND1-NE 2.89Å; H522-R527 PolarHBondContact ND1-NH2 3.41Å; H522-R527 VanDerWaalsContact ND1-NH2 3.16Å | ||
| 523 | S | 97.4 | Very high | 94.4 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | trans | -59.6 | 152.1 | 178.3 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | N521 L525 V526 R527 Q577 | N521-S523 VanDerWaalsContact OD1-CB 3.22Å; N521-S523 WeakPolarHBondContact OD1-CB 3.49Å; N521-S523 PolarHBondContact OD1-N 3.48Å; N521-S523 PolarHBondContact OD1-OG 3.42Å; S523-L525 PolarHBondContact O-N 3.18Å; S523-L525 VanDerWaalsContact O-N 3.12Å; S523-V526 PolarHBondContact O-N 3.12Å; S523-R527 PolarHBondContact O-N 2.99Å; S523-Q577 VanDerWaalsContact OG-CD 3.26Å; S523-Q577 WeakPolarHBondContact OG-CG 3.23Å | ||
| 524 | P | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -57.1 | -30.9 | 179.5 | -27.7 | 38.6 | 0 | 0 | 0 | 113.5 | V526 R527 M533 R534 T535 S581 Y584 W683 | P524-V526 VanDerWaalsContact C-N 3.25Å; P524-V526 PolarHBondContact O-N 2.69Å; P524-R527 PolarHBondContact O-N 2.78Å; P524-M533 VanDerWaalsContact CA-CE 3.41Å; P524-M533 HydrophobicContact CB-CE 3.73Å; P524-M533 HydrophobicContact CB-SD 3.95Å; P524-M533 HydrophobicContact CG-CB 4.17Å; P524-M533 WeakPolarHBondContact O-CE 3.4Å; P524-R534 WeakPolarHBondContact CD-O 3.41Å; P524-T535 HydrophobicContact CG-CG2 3.96Å; P524-S581 WeakPolarHBondContact CD-OG 3.34Å; P524-Y584 HydrophobicContact CB-CD1 4.44Å; P524-Y584 HydrophobicContact CB-CG 4.25Å; P524-Y584 HydrophobicContact CG-CD1 4.02Å; P524-Y584 HydrophobicContact CG-CG 4.33Å; P524-W683 HydrophobicContact CB-CH2 4.2Å; P524-W683 HydrophobicContact CB-CZ2 3.75Å; P524-W683 WeakPolarHBondContact O-CZ2 3.41Å; P524-W683 PolarHBondContact O-NE1 3.09Å |
| 525 | L | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -50.4 | -44.4 | 177.6 | 175.1 | 61.7 | 0 | 0 | 0 | 113.1 | S523 Q577 T580 L611 L614 Q670 I675 | S523-L525 PolarHBondContact O-N 3.18Å; S523-L525 VanDerWaalsContact O-N 3.12Å; L525-Q577 HydrophobicContact CB-CG 4.25Å; L525-Q577 HydrophobicContact CD2-CB 3.98Å; L525-Q577 HydrophobicContact CD2-CG 4.09Å; L525-T580 HydrophobicContact CB-CG2 3.96Å; L525-T580 HydrophobicContact CD1-CG2 4.4Å; L525-L611 HydrophobicContact CD1-CD2 3.36Å; L525-L614 HydrophobicContact CD1-CD2 3.75Å; L525-L614 HydrophobicContact CD2-CD2 3.76Å; L525-L614 HydrophobicContact CG-CD2 4.4Å; L525-Q670 HydrophobicContact CD2-CG 4.02Å; L525-I675 HydrophobicContact CD1-CD1 4.42Å |
| 526 | V | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -105.7 | -1.3 | -168.3 | -61 | 0 | 0 | 0 | 0 | 114.1 | N521 S523 P524 D665 N668 Q670 Y679 | N521-V526 HydrophobicContact CB-CG2 4.2Å; N521-V526 WeakPolarHBondContact O-CG2 3.34Å; S523-V526 PolarHBondContact O-N 3.12Å; P524-V526 VanDerWaalsContact C-N 3.25Å; P524-V526 PolarHBondContact O-N 2.69Å; V526-D665 WeakPolarHBondContact O-CB 3.37Å; V526-N668 HydrophobicContact CB-CB 3.93Å; V526-N668 HydrophobicContact CG1-CB 4.46Å; V526-N668 HydrophobicContact CG2-CB 4.35Å; V526-N668 WeakPolarHBondContact CG2-OD1 3.44Å; V526-Q670 HydrophobicContact CG1-CG 3.88Å; V526-Y679 HydrophobicContact CB-CE1 4.02Å; V526-Y679 HydrophobicContact CG1-CE1 4.41Å; V526-Y679 WeakPolarHBondContact O-CE1 3.46Å |
| 527 | R | 98.3 | Very high | 94.9 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 14% | 0.143 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -108.8 | 155 | -176.5 | -65.2 | -59.5 | 179.5 | 166.2 | -2.1 | 111.9 | N521 H522 S523 P524 P529 M533 L664 D665 | N521-R527 PolarHBondContact O-NE 2.87Å; N521-R527 PolarHBondContact O-NH2 3.32Å; H522-R527 VanDerWaalsContact CE1-CZ 3.46Å; H522-R527 PolarHBondContact CE1-NH2 3.28Å; H522-R527 VanDerWaalsContact ND1-CZ 3.27Å; H522-R527 PolarHBondContact ND1-NE 2.89Å; H522-R527 PolarHBondContact ND1-NH2 3.41Å; H522-R527 VanDerWaalsContact ND1-NH2 3.16Å; S523-R527 PolarHBondContact O-N 2.99Å; P524-R527 PolarHBondContact O-N 2.78Å; R527-P529 WeakPolarHBondContact O-CD 3.29Å; R527-M533 HydrophobicContact CB-CE 3.93Å; R527-L664 PolarHBondContact NH1-O 3.45Å; R527-L664 VanDerWaalsContact NH1-O 3.15Å; R527-D665 PolarHBondContact NH1-O 3.44Å |
| 528 | R | 98.4 | Very high | 95.2 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 19% | 0.192 | 22% | 0.223 | C | C | . | . | trans | -53.4 | 123.1 | 172.6 | -161.4 | 178.3 | -84.6 | 168.4 | 2.1 | 110.2 | S530 L664 D665 R682 F705 N706 V709 E713 | R528-S530 PolarHBondContact O-N 3.43Å; R528-L664 HydrophobicContact CB-CD2 4.05Å; R528-L664 VanDerWaalsContact NE-CD2 3.34Å; R528-L664 VanDerWaalsContact NH2-CD2 3.32Å; R528-D665 PolarHBondContact N-OD2 3.05Å; R528-R682 VanDerWaalsContact CA-CZ 3.5Å; R528-F705 HydrophobicContact CG-CE1 4.26Å; R528-N706 WeakPolarHBondContact CD-OD1 3.43Å; R528-V709 HydrophobicContact CG-CG1 3.94Å; R528-E713 IonicContact CZ-OE1 2.73Å; R528-E713 IonicContact CZ-OE2 3.19Å; R528-E713 IonicContact NE-OE1 2.94Å; R528-E713 PolarHBondContact NE-OE1 3.32Å; R528-E713 IonicContact NE-OE2 3.86Å; R528-E713 IonicContact NH2-OE1 2.62Å; R528-E713 IonicContact NH2-OE2 3.16Å; R528-E713 PolarHBondContact NH2-OE2 2.98Å | ||
| 529 | P | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -56 | 135.9 | 178.4 | -28.5 | 36.5 | 0 | 0 | 0 | 112.7 | R527 R682 W683 F686 Q702 F705 | R527-P529 WeakPolarHBondContact O-CD 3.29Å; P529-R682 HydrophobicContact CG-CB 4.28Å; P529-W683 HydrophobicContact CB-CD2 4.44Å; P529-W683 HydrophobicContact CB-CE3 4.16Å; P529-W683 HydrophobicContact CB-CH2 4.32Å; P529-W683 HydrophobicContact CB-CZ3 4.1Å; P529-W683 HydrophobicContact CG-CD2 3.78Å; P529-W683 HydrophobicContact CG-CE3 3.98Å; P529-W683 HydrophobicContact CG-CG 4.18Å; P529-W683 HydrophobicContact CG-CH2 4.49Å; P529-W683 HydrophobicContact CG-CZ2 4.32Å; P529-W683 HydrophobicContact CG-CZ3 4.33Å; P529-F686 HydrophobicContact CB-CB 3.58Å; P529-F686 HydrophobicContact CB-CD1 3.71Å; P529-F686 HydrophobicContact CB-CD2 3.69Å; P529-F686 HydrophobicContact CB-CE1 4.28Å; P529-F686 HydrophobicContact CB-CE2 4.27Å; P529-F686 HydrophobicContact CB-CG 3.37Å; P529-F686 HydrophobicContact CG-CB 4.01Å; P529-F686 HydrophobicContact CG-CG 4.32Å; P529-Q702 PolarHBondContact O-NE2 2.86Å; P529-F705 HydrophobicContact CB-CE1 4.23Å; P529-F705 HydrophobicContact CB-CZ 4.09Å; P529-F705 HydrophobicContact CG-CZ 4.35Å; P529-F705 VanDerWaalsContact O-CE1 3.22Å; P529-F705 WeakPolarHBondContact O-CE1 3.47Å | ||
| 530 | S | 97.8 | Very high | 95.9 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | trans | -161.3 | 172.6 | 174.9 | 70.4 | 0 | 0 | 0 | 0 | 109.7 | R528 R532 M533 Y584 Q702 | R528-S530 PolarHBondContact O-N 3.43Å; S530-R532 PolarHBondContact O-N 3.23Å; S530-R532 PolarHBondContact OG-N 3.19Å; S530-M533 VanDerWaalsContact O-CG 3.27Å; S530-M533 WeakPolarHBondContact O-CG 3.49Å; S530-Y584 WeakPolarHBondContact O-CE2 3.41Å; S530-Y584 PolarHBondContact O-OH 3.21Å; S530-Q702 VanDerWaalsContact CB-OE1 3.24Å | ||
| 531 | F | 96.6 | Very high | 96.1 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -82 | 4.3 | 172.3 | -71.9 | -75 | 0 | 0 | 0 | 114.3 | Y584 A588 F591 F686 L690 Y700 | F531-Y584 PolarHBondContact O-OH 3.36Å; F531-A588 HydrophobicContact CD1-CB 4.04Å; F531-A588 HydrophobicContact CE1-CB 4.2Å; F531-F591 HydrophobicContact CE1-CB 4.27Å; F531-F591 AromaticContact CE1-CD1 3.79Å; F531-F591 HydrophobicContact CE1-CD1 3.79Å; F531-F591 HydrophobicContact CE1-CG 4.31Å; F531-F591 HydrophobicContact CE2-CD1 4.07Å; F531-F591 HydrophobicContact CE2-CE1 4.09Å; F531-F591 HydrophobicContact CZ-CB 4.24Å; F531-F591 AromaticContact CZ-CD1 3.23Å; F531-F591 HydrophobicContact CZ-CD1 3.23Å; F531-F591 AromaticContact CZ-CE1 3.69Å; F531-F591 HydrophobicContact CZ-CE1 3.69Å; F531-F591 AromaticContact CZ-CG 3.84Å; F531-F591 HydrophobicContact CZ-CG 3.84Å; F531-F686 HydrophobicContact CE2-CE2 4.47Å; F531-F686 HydrophobicContact CE2-CZ 4.25Å; F531-F686 HydrophobicContact CZ-CZ 4.23Å; F531-L690 HydrophobicContact CE1-CD1 4.42Å; F531-L690 HydrophobicContact CE2-CD2 3.76Å; F531-L690 HydrophobicContact CZ-CD1 3.88Å; F531-L690 HydrophobicContact CZ-CD2 3.5Å; F531-L690 HydrophobicContact CZ-CG 4.35Å; F531-Y700 AromaticContact CD2-CD1 3.68Å; F531-Y700 HydrophobicContact CD2-CD1 3.68Å; F531-Y700 AromaticContact CD2-CE1 3.72Å; F531-Y700 HydrophobicContact CD2-CE1 3.72Å; F531-Y700 HydrophobicContact CD2-CG 4.47Å; F531-Y700 AromaticContact CE2-CD1 3.39Å; F531-Y700 HydrophobicContact CE2-CD1 3.39Å; F531-Y700 HydrophobicContact CE2-CD2 4.37Å; F531-Y700 AromaticContact CE2-CE1 3.71Å; F531-Y700 HydrophobicContact CE2-CE1 3.71Å; F531-Y700 AromaticContact CE2-CG 3.74Å; F531-Y700 HydrophobicContact CE2-CG 3.74Å |
| 532 | R | 94 | Very high | 96.2 | Very high | 234 Ų | 234 | 54.4 Ų | 54.4 | 88% | 0.883 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -122.9 | 41.1 | -176.5 | -60.9 | -174.6 | -175.5 | -174.8 | 1.5 | 111.6 | S530 | S530-R532 PolarHBondContact O-N 3.23Å; S530-R532 PolarHBondContact OG-N 3.19Å |
| 533 | M | 96.1 | Very high | 96.4 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | trans | -85.9 | 147.1 | 178.8 | -52.6 | 179.4 | 90.2 | 0 | 0 | 111.2 | P524 R527 S530 Y584 W683 | P524-M533 VanDerWaalsContact CA-CE 3.41Å; P524-M533 HydrophobicContact CB-CE 3.73Å; P524-M533 HydrophobicContact CB-SD 3.95Å; P524-M533 HydrophobicContact CG-CB 4.17Å; P524-M533 WeakPolarHBondContact O-CE 3.4Å; R527-M533 HydrophobicContact CB-CE 3.93Å; S530-M533 VanDerWaalsContact O-CG 3.27Å; S530-M533 WeakPolarHBondContact O-CG 3.49Å; M533-Y584 HydrophobicContact CB-CD1 4.38Å; M533-Y584 HydrophobicContact CB-CE1 3.78Å; M533-Y584 HydrophobicContact CB-CE2 4.23Å; M533-Y584 HydrophobicContact CG-CE1 4.45Å; M533-Y584 HydrophobicContact CG-CE2 4.01Å; M533-Y584 PolarHBondContact N-OH 2.85Å; M533-Y584 HydrophobicContact SD-CD2 3.78Å; M533-Y584 HydrophobicContact SD-CE2 3.69Å; M533-Y584 HydrophobicContact SD-CG 4.29Å; M533-W683 HydrophobicContact CE-CH2 4.19Å; M533-W683 HydrophobicContact CE-CZ2 3.86Å; M533-W683 HydrophobicContact SD-CH2 3.65Å; M533-W683 HydrophobicContact SD-CZ2 3.95Å | ||
| 534 | R | 90.3 | Very high | 96.4 | Very high | 166 Ų | 166 | 52.9 Ų | 52.9 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | trans | -82.2 | 129.1 | 175.9 | -69.8 | -173.3 | -172.5 | -180 | 2.5 | 109.9 | P524 D536 | P524-R534 WeakPolarHBondContact CD-O 3.41Å; R534-D536 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 535 | T | 93.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | trans | -126.5 | 2 | 179.1 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | P524 Y584 Q585 | P524-T535 HydrophobicContact CG-CG2 3.96Å; T535-Y584 HydrophobicContact CG2-CD1 3.56Å; T535-Y584 HydrophobicContact CG2-CE1 3.7Å; T535-Q585 HydrophobicContact CG2-CG 4.15Å; T535-Q585 PolarHBondContact OG1-NE2 3.4Å; T535-Q585 VanDerWaalsContact OG1-NE2 3.1Å | ||
| 536 | D | 91.7 | Very high | 96.4 | Very high | 99 Ų | 99 | 56.1 Ų | 56.1 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | trans | -65.2 | 144.3 | 177.2 | 53.2 | -66.2 | 0 | 0 | 0 | 111.4 | R534 | R534-D536 WeakPolarHBondContact CB-OD1 3.38Š| ||
| 537 | L | 94.1 | Very high | 96.4 | Very high | 61 Ų | 61 | 56.1 Ų | 56.1 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | trans | -126.3 | 142.8 | 176.2 | -61.1 | 173.1 | 0 | 0 | 0 | 107.8 | Y539 P541 V578 | L537-Y539 HydrophobicContact CB-CD1 4.33Å; L537-Y539 HydrophobicContact CB-CE1 4.26Å; L537-Y539 HydrophobicContact CD1-CE2 4.35Å; L537-Y539 HydrophobicContact CD2-CE1 3.94Å; L537-Y539 PolarHBondContact O-N 3.26Å; L537-P541 HydrophobicContact CD1-CG 3.73Å; L537-V578 HydrophobicContact CD1-CG1 4.19Å; L537-V578 HydrophobicContact CD1-CG2 4.28Å | ||
| 538 | W | 95.4 | Very high | 96.5 | Very high | 50 Ų | 50 | 54.3 Ų | 54.3 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -86.4 | 7.8 | 175.1 | 62.4 | 85.1 | 0 | 0 | 0 | 112.8 | F425 F426 V509 C512 I514 Y517 | F425-W538 WeakPolarHBondContact O-CZ2 3.47Å; F426-W538 HydrophobicContact CB-CH2 4.45Å; F426-W538 HydrophobicContact CB-CZ2 4.18Å; F426-W538 HydrophobicContact CD2-CH2 4Å; F426-W538 AromaticContact CD2-CZ2 3.68Å; F426-W538 HydrophobicContact CD2-CZ2 3.68Å; F426-W538 HydrophobicContact CG-CZ2 4.42Å; V509-W538 PolarHBondContact O-NE1 3.25Å; C512-W538 HydrophobicContact CB-CD2 4.29Å; C512-W538 HydrophobicContact CB-CG 3.92Å; I514-W538 HydrophobicContact CD1-CB 3.58Å; I514-W538 HydrophobicContact CG1-CB 4.19Å; Y517-W538 HydrophobicContact CE1-CE3 4.1Å; Y517-W538 HydrophobicContact CE1-CH2 4.48Å; Y517-W538 AromaticContact CE1-CZ3 3.96Å; Y517-W538 HydrophobicContact CE1-CZ3 3.96Å; Y517-W538 AromaticContact CE2-CE3 3.91Å; Y517-W538 HydrophobicContact CE2-CE3 3.91Å; Y517-W538 HydrophobicContact CE2-CZ3 4.4Å; Y517-W538 AromaticContact CZ-CE3 3.5Å; Y517-W538 VanDerWaalsContact CZ-CE3 3.5Å; Y517-W538 AromaticContact CZ-CZ3 3.55Å; Y517-W538 VanDerWaalsContact OH-CE3 3.3Å; Y517-W538 WeakPolarHBondContact OH-CZ3 3.44Å |
| 539 | Y | 96.6 | Very high | 96.5 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -145.1 | 157.7 | -173.2 | 65.6 | -92.6 | 0 | 0 | 0 | 110.3 | V509 L537 P541 L544 Q574 V578 | V509-Y539 HydrophobicContact CB-CD1 4.46Å; V509-Y539 HydrophobicContact CB-CE1 4.44Å; V509-Y539 HydrophobicContact CG1-CD1 3.97Å; V509-Y539 HydrophobicContact CG1-CD2 3.78Å; V509-Y539 HydrophobicContact CG1-CE1 3.75Å; V509-Y539 HydrophobicContact CG1-CE2 3.58Å; V509-Y539 HydrophobicContact CG1-CG 3.99Å; L537-Y539 HydrophobicContact CB-CD1 4.33Å; L537-Y539 HydrophobicContact CB-CE1 4.26Å; L537-Y539 HydrophobicContact CD1-CE2 4.35Å; L537-Y539 HydrophobicContact CD2-CE1 3.94Å; L537-Y539 PolarHBondContact O-N 3.26Å; Y539-P541 WeakPolarHBondContact O-CD 3.37Å; Y539-L544 HydrophobicContact CE2-CB 4.18Å; Y539-L544 HydrophobicContact CE2-CD2 4.2Å; Y539-Q574 PolarHBondContact OH-NE2 2.89Å; Y539-V578 WeakPolarHBondContact OH-CG2 2.95Å |
| 540 | E | 95.9 | Very high | 96.5 | Very high | 133 Ų | 133 | 55.3 Ų | 55.3 | 62% | 0.621 | 26% | 0.258 | S | S | * | . | trans | -75.9 | 122.8 | 176.4 | -66.2 | -56.5 | 146.5 | 0 | 0 | 111.1 | A542 D543 | E540-A542 PolarHBondContact O-N 2.92Å; E540-A542 VanDerWaalsContact O-N 3.14Å; E540-D543 PolarHBondContact O-N 3.36Å | ||
| 541 | P | 96.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 14% | 0.143 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.4 | -24.4 | -179.6 | -21.4 | 31.6 | 0 | 0 | 0 | 113.7 | L537 Y539 D543 L544 F545 V578 L750 | L537-P541 HydrophobicContact CD1-CG 3.73Å; Y539-P541 WeakPolarHBondContact O-CD 3.37Å; P541-D543 VanDerWaalsContact C-N 3.31Å; P541-D543 PolarHBondContact O-N 2.91Å; P541-L544 PolarHBondContact O-N 3.38Å; P541-F545 HydrophobicContact CB-CE2 4.02Å; P541-F545 HydrophobicContact CB-CZ 3.97Å; P541-F545 VanDerWaalsContact O-CG 3.29Å; P541-F545 WeakPolarHBondContact O-CG 3.23Å; P541-F545 PolarHBondContact O-N 3.46Å; P541-V578 HydrophobicContact CB-CG1 4.44Å; P541-L750 HydrophobicContact CB-CD2 4.18Å |
| 542 | A | 97.8 | Very high | 96.6 | Very high | 39 Ų | 39 | 51.5 Ų | 51.5 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.9 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E540 L544 F545 E546 L750 | E540-A542 PolarHBondContact O-N 2.92Å; E540-A542 VanDerWaalsContact O-N 3.14Å; A542-L544 VanDerWaalsContact C-N 3.33Å; A542-L544 PolarHBondContact O-N 3.4Å; A542-F545 PolarHBondContact O-N 2.86Å; A542-E546 PolarHBondContact O-N 2.69Å; A542-L750 HydrophobicContact CB-CD1 3.84Å; A542-L750 HydrophobicContact CB-CD2 4.46Å |
| 543 | D | 98.4 | Very high | 96.9 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 27% | 0.267 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64 | -40 | 178.9 | -73.1 | -13.8 | 0 | 0 | 0 | 111.7 | L504 E540 P541 A547 | L504-D543 HydrophobicContact CD2-CB 4.39Å; E540-D543 PolarHBondContact O-N 3.36Å; P541-D543 VanDerWaalsContact C-N 3.31Å; P541-D543 PolarHBondContact O-N 2.91Å; D543-A547 VanDerWaalsContact O-CB 3.3Å; D543-A547 WeakPolarHBondContact O-CB 3.5Å; D543-A547 PolarHBondContact O-N 2.81Å |
| 544 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -43.1 | 176.2 | 174.1 | 66.5 | 0 | 0 | 0 | 111.4 | F425 L505 V509 Y539 P541 A542 A547 W548 Q574 V575 V578 | F425-L544 HydrophobicContact CD2-CD1 4.18Å; F425-L544 HydrophobicContact CE2-CD1 4.32Å; L505-L544 HydrophobicContact CD2-CD1 3.95Å; V509-L544 HydrophobicContact CG1-CD1 4.4Å; Y539-L544 HydrophobicContact CE2-CB 4.18Å; Y539-L544 HydrophobicContact CE2-CD2 4.2Å; P541-L544 PolarHBondContact O-N 3.38Å; A542-L544 VanDerWaalsContact C-N 3.33Å; A542-L544 PolarHBondContact O-N 3.4Å; L544-A547 PolarHBondContact O-N 3.14Å; L544-W548 WeakPolarHBondContact O-CB 3.22Å; L544-W548 PolarHBondContact O-N 2.83Å; L544-Q574 HydrophobicContact CD1-CB 4.27Å; L544-Q574 HydrophobicContact CD1-CG 3.93Å; L544-Q574 HydrophobicContact CD2-CB 4.41Å; L544-Q574 HydrophobicContact CD2-CG 3.66Å; L544-Q574 HydrophobicContact CG-CG 4.46Å; L544-V575 HydrophobicContact CD1-CG2 4.35Å; L544-V575 HydrophobicContact CD2-CG2 4.11Å; L544-V575 HydrophobicContact CG-CG2 3.91Å; L544-V578 HydrophobicContact CD2-CG2 3.85Å |
| 545 | F | 98.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.2 | -38 | -179.3 | -60.5 | -16.7 | 0 | 0 | 0 | 111.7 | P541 A542 W548 K549 V575 V578 Y743 A746 M747 L750 | P541-F545 HydrophobicContact CB-CE2 4.02Å; P541-F545 HydrophobicContact CB-CZ 3.97Å; P541-F545 VanDerWaalsContact O-CG 3.29Å; P541-F545 WeakPolarHBondContact O-CG 3.23Å; P541-F545 PolarHBondContact O-N 3.46Å; A542-F545 PolarHBondContact O-N 2.86Å; F545-W548 WeakPolarHBondContact O-CB 3.35Å; F545-W548 PolarHBondContact O-N 3.41Å; F545-K549 PolarHBondContact O-N 2.73Å; F545-V575 HydrophobicContact CD1-CB 4.48Å; F545-V575 HydrophobicContact CD1-CG1 3.9Å; F545-V575 HydrophobicContact CD1-CG2 3.92Å; F545-V575 HydrophobicContact CE1-CB 4.42Å; F545-V575 HydrophobicContact CE1-CG1 3.74Å; F545-V575 HydrophobicContact CE1-CG2 4.26Å; F545-V578 HydrophobicContact CE1-CB 4.43Å; F545-V578 HydrophobicContact CE1-CG1 4.17Å; F545-V578 HydrophobicContact CZ-CG1 3.87Å; F545-Y743 HydrophobicContact CB-CE2 4.27Å; F545-Y743 WeakPolarHBondContact O-CE2 3.27Å; F545-A746 HydrophobicContact CD1-CB 4.49Å; F545-A746 HydrophobicContact CD2-CB 3.73Å; F545-A746 HydrophobicContact CE1-CB 4.41Å; F545-A746 HydrophobicContact CE2-CB 3.65Å; F545-A746 HydrophobicContact CG-CB 4.2Å; F545-A746 HydrophobicContact CZ-CB 4Å; F545-M747 HydrophobicContact CB-SD 4.4Å; F545-L750 HydrophobicContact CD2-CD1 3.55Å; F545-L750 HydrophobicContact CD2-CG 4.03Å; F545-L750 HydrophobicContact CE2-CD1 4.04Å; F545-L750 HydrophobicContact CE2-CD2 4.32Å; F545-L750 HydrophobicContact CE2-CG 4.01Å |
| 546 | E | 98.7 | Very high | 97.5 | Very high | 62 Ų | 62 | 38.4 Ų | 38.4 | 29% | 0.29 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.9 | -41.5 | 173.7 | -172.6 | 60.7 | -166.1 | 0 | 0 | 111.3 | L504 A542 W548 K549 L550 | L504-E546 HydrophobicContact CD1-CB 4.02Å; L504-E546 HydrophobicContact CD1-CG 3.89Å; A542-E546 PolarHBondContact O-N 2.69Å; E546-W548 VanDerWaalsContact C-N 3.27Å; E546-W548 PolarHBondContact O-N 2.65Å; E546-K549 PolarHBondContact O-N 3.15Å; E546-K549 IonicContact OE1-NZ 3.32Å; E546-K549 PolarHBondContact OE1-NZ 2.88Å; E546-K549 IonicContact OE2-NZ 3.38Å; E546-K549 PolarHBondContact OE2-NZ 2.77Å; E546-L550 HydrophobicContact CG-CD1 4.27Å; E546-L550 VanDerWaalsContact O-CG 3.31Å; E546-L550 WeakPolarHBondContact O-CG 3.47Å; E546-L550 PolarHBondContact O-N 2.82Å |
| 547 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.9 | -43.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A501 L504 L505 D543 L544 K549 L550 F551 | A501-A547 HydrophobicContact CB-CB 4.15Å; L504-A547 HydrophobicContact CB-CB 4.29Å; L505-A547 HydrophobicContact CD2-CB 3.79Å; L505-A547 HydrophobicContact CG-CB 3.87Å; D543-A547 VanDerWaalsContact O-CB 3.3Å; D543-A547 WeakPolarHBondContact O-CB 3.5Å; D543-A547 PolarHBondContact O-N 2.81Å; L544-A547 PolarHBondContact O-N 3.14Å; A547-K549 PolarHBondContact O-N 3.1Å; A547-L550 PolarHBondContact O-N 3.18Å; A547-F551 WeakPolarHBondContact O-CD2 3.42Å; A547-F551 PolarHBondContact O-N 2.67Å |
| 548 | W | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 176.6 | -178.9 | 35.5 | 0 | 0 | 0 | 112.9 | L544 F545 E546 L550 F551 M552 V571 T572 V575 I738 F739 Y743 | L544-W548 WeakPolarHBondContact O-CB 3.22Å; L544-W548 PolarHBondContact O-N 2.83Å; F545-W548 WeakPolarHBondContact O-CB 3.35Å; F545-W548 PolarHBondContact O-N 3.41Å; E546-W548 VanDerWaalsContact C-N 3.27Å; E546-W548 PolarHBondContact O-N 2.65Å; W548-L550 PolarHBondContact O-N 3.38Å; W548-F551 PolarHBondContact O-N 2.87Å; W548-M552 WeakPolarHBondContact O-CG 3.23Å; W548-M552 PolarHBondContact O-N 3.49Å; W548-V571 HydrophobicContact CB-CG1 3.77Å; W548-V571 HydrophobicContact CG-CG1 4.14Å; W548-T572 HydrophobicContact CZ2-CG2 3.99Å; W548-T572 PolarHBondContact NE1-OG1 3.01Å; W548-V575 HydrophobicContact CB-CG2 3.87Å; W548-V575 HydrophobicContact CD2-CB 4.23Å; W548-V575 HydrophobicContact CD2-CG1 4.26Å; W548-V575 HydrophobicContact CD2-CG2 3.81Å; W548-V575 HydrophobicContact CE3-CB 4.05Å; W548-V575 HydrophobicContact CE3-CG1 3.59Å; W548-V575 HydrophobicContact CE3-CG2 3.8Å; W548-V575 HydrophobicContact CG-CG2 3.89Å; W548-V575 HydrophobicContact CH2-CG1 4.13Å; W548-V575 HydrophobicContact CZ3-CB 4.33Å; W548-V575 HydrophobicContact CZ3-CG1 3.52Å; W548-I738 HydrophobicContact CH2-CG2 4.39Å; W548-I738 HydrophobicContact CZ2-CG2 4.07Å; W548-F739 AromaticContact CD2-CD2 3.78Å; W548-F739 HydrophobicContact CD2-CD2 3.78Å; W548-F739 HydrophobicContact CD2-CE2 4.24Å; W548-F739 AromaticContact CE2-CD2 3.61Å; W548-F739 HydrophobicContact CE3-CD2 4.01Å; W548-F739 HydrophobicContact CE3-CE2 4.3Å; W548-F739 HydrophobicContact CG-CD2 4.42Å; W548-F739 HydrophobicContact CH2-CB 4.33Å; W548-F739 AromaticContact CH2-CD2 3.98Å; W548-F739 HydrophobicContact CH2-CD2 3.98Å; W548-F739 VanDerWaalsContact CZ2-CA 3.47Å; W548-F739 HydrophobicContact CZ2-CB 3.81Å; W548-F739 AromaticContact CZ2-CD2 3.72Å; W548-F739 HydrophobicContact CZ2-CD2 3.72Å; W548-F739 HydrophobicContact CZ2-CG 4.26Å; W548-F739 HydrophobicContact CZ3-CD2 4.11Å; W548-Y743 AromaticContact CE3-CD2 3.73Å; W548-Y743 HydrophobicContact CE3-CD2 3.73Å; W548-Y743 AromaticContact CZ3-CD2 3.93Å; W548-Y743 HydrophobicContact CZ3-CD2 3.93Å; W548-Y743 HydrophobicContact CZ3-CG 4.33Å |
| 549 | K | 98.9 | Very high | 97.9 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 25% | 0.248 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -47.2 | 174.3 | 172.4 | -179.1 | 149.8 | -138.6 | 0 | 111.8 | F545 E546 A547 F551 M552 E553 F739 Y743 | F545-K549 PolarHBondContact O-N 2.73Å; E546-K549 PolarHBondContact O-N 3.15Å; E546-K549 IonicContact OE1-NZ 3.32Å; E546-K549 PolarHBondContact OE1-NZ 2.88Å; E546-K549 IonicContact OE2-NZ 3.38Å; E546-K549 PolarHBondContact OE2-NZ 2.77Å; A547-K549 PolarHBondContact O-N 3.1Å; K549-F551 VanDerWaalsContact C-N 3.31Å; K549-F551 PolarHBondContact O-N 2.84Å; K549-M552 WeakPolarHBondContact O-CB 3.38Å; K549-M552 PolarHBondContact O-N 3.22Å; K549-M552 VanDerWaalsContact O-N 3.1Å; K549-E553 WeakPolarHBondContact CE-OE1 3.44Å; K549-E553 HydrophobicContact CG-CG 4.47Å; K549-E553 WeakPolarHBondContact O-CG 3.35Å; K549-E553 PolarHBondContact O-N 2.98Å; K549-F739 HydrophobicContact CB-CE2 4.04Å; K549-F739 HydrophobicContact CB-CZ 4.07Å; K549-F739 HydrophobicContact CG-CZ 4.13Å; K549-Y743 HydrophobicContact CB-CE2 3.9Å; K549-Y743 HydrophobicContact CD-CE1 4.2Å; K549-Y743 WeakPolarHBondContact CD-OH 3.43Å |
| 550 | L | 98.9 | Very high | 97.8 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 180 | -69 | 171.1 | 0 | 0 | 0 | 112.5 | N497 A500 A501 L504 E546 A547 W548 A554 | N497-L550 HydrophobicContact CB-CB 4.14Å; N497-L550 HydrophobicContact CB-CD2 3.92Å; A500-L550 HydrophobicContact CB-CD1 3.85Å; A501-L550 HydrophobicContact CB-CB 3.83Å; A501-L550 HydrophobicContact CB-CD1 4.12Å; L504-L550 HydrophobicContact CD1-CD1 3.97Å; E546-L550 HydrophobicContact CG-CD1 4.27Å; E546-L550 VanDerWaalsContact O-CG 3.31Å; E546-L550 WeakPolarHBondContact O-CG 3.47Å; E546-L550 PolarHBondContact O-N 2.82Å; A547-L550 PolarHBondContact O-N 3.18Å; W548-L550 PolarHBondContact O-N 3.38Å; L550-A554 PolarHBondContact O-N 3.2Å; L550-A554 VanDerWaalsContact O-N 3.15Å |
| 551 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 171 | -95.9 | -95.9 | 0 | 0 | 0 | 111.8 | Y491 L498 A501 W502 L505 A547 W548 K549 E553 A554 A555 F564 D567 L568 V571 | Y491-F551 WeakPolarHBondContact OH-CE1 3.18Å; Y491-F551 VanDerWaalsContact OH-CZ 3.23Å; Y491-F551 WeakPolarHBondContact OH-CZ 3.33Å; L498-F551 HydrophobicContact CD2-CD1 3.89Å; L498-F551 HydrophobicContact CD2-CD2 4.27Å; L498-F551 HydrophobicContact CD2-CE1 4.04Å; L498-F551 HydrophobicContact CD2-CE2 4.4Å; L498-F551 HydrophobicContact CD2-CG 4.03Å; L498-F551 HydrophobicContact CD2-CZ 4.31Å; A501-F551 HydrophobicContact CB-CD2 3.64Å; A501-F551 HydrophobicContact CB-CE2 3.7Å; W502-F551 HydrophobicContact CZ2-CZ 4.29Å; W502-F551 AromaticContact NE1-CZ 3.74Å; L505-F551 HydrophobicContact CD1-CE2 4.04Å; A547-F551 WeakPolarHBondContact O-CD2 3.42Å; A547-F551 PolarHBondContact O-N 2.67Å; W548-F551 PolarHBondContact O-N 2.87Å; K549-F551 VanDerWaalsContact C-N 3.31Å; K549-F551 PolarHBondContact O-N 2.84Å; F551-E553 PolarHBondContact O-N 2.75Å; F551-A554 PolarHBondContact O-N 2.64Å; F551-A555 PolarHBondContact O-N 2.82Å; F551-F564 AromaticContact CD1-CE2 3.89Å; F551-F564 HydrophobicContact CD1-CE2 3.89Å; F551-F564 HydrophobicContact CD1-CZ 4.24Å; F551-F564 HydrophobicContact CE1-CE2 4.27Å; F551-D567 HydrophobicContact CE1-CB 3.67Å; F551-D567 HydrophobicContact CZ-CB 4.18Å; F551-L568 HydrophobicContact CB-CD1 4.21Å; F551-V571 HydrophobicContact CD2-CG2 4.12Å; F551-V571 HydrophobicContact CE1-CG2 4.38Å; F551-V571 HydrophobicContact CE2-CG2 4Å; F551-V571 HydrophobicContact CG-CG2 4.37Å; F551-V571 HydrophobicContact CZ-CG2 4.12Å |
| 552 | M | 98.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.054 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 177.8 | -72.5 | -59.7 | -46 | 0 | 0 | 112.5 | W548 K549 A554 A555 L568 Y732 A735 H736 F739 | W548-M552 WeakPolarHBondContact O-CG 3.23Å; W548-M552 PolarHBondContact O-N 3.49Å; K549-M552 WeakPolarHBondContact O-CB 3.38Å; K549-M552 PolarHBondContact O-N 3.22Å; K549-M552 VanDerWaalsContact O-N 3.1Å; M552-A554 VanDerWaalsContact C-N 3.32Å; M552-A554 PolarHBondContact O-N 3.43Å; M552-A555 WeakPolarHBondContact O-CB 3.42Å; M552-A555 PolarHBondContact O-N 3.14Å; M552-L568 HydrophobicContact SD-CD1 3.7Å; M552-Y732 HydrophobicContact CE-CE2 4.25Å; M552-A735 HydrophobicContact SD-CB 4.2Å; M552-H736 VanDerWaalsContact CE-CA 3.48Å; M552-H736 HydrophobicContact CE-CB 3.79Å; M552-F739 HydrophobicContact CB-CD1 4.5Å; M552-F739 HydrophobicContact CB-CD2 4.24Å; M552-F739 HydrophobicContact CB-CE2 4.31Å; M552-F739 HydrophobicContact CB-CG 4.33Å; M552-F739 HydrophobicContact CB-CZ 4.48Å; M552-F739 HydrophobicContact CE-CB 4.15Å; M552-F739 HydrophobicContact CE-CG 4.48Å; M552-F739 HydrophobicContact CG-CB 4.04Å; M552-F739 HydrophobicContact CG-CD1 4.34Å; M552-F739 HydrophobicContact CG-CD2 3.54Å; M552-F739 HydrophobicContact CG-CE2 4.03Å; M552-F739 HydrophobicContact CG-CG 3.71Å; M552-F739 HydrophobicContact SD-CB 4.17Å; M552-F739 HydrophobicContact SD-CG 4.47Å |
| 553 | E | 98.6 | Very high | 97.8 | Very high | 99 Ų | 99 | 36 Ų | 36 | 46% | 0.463 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.3 | -35.4 | 176.2 | -72.2 | 177 | -178.2 | 0 | 0 | 112.6 | N497 K549 F551 | N497-E553 VanDerWaalsContact ND2-CB 3.34Å; N497-E553 WeakPolarHBondContact ND2-CB 3.34Å; N497-E553 PolarHBondContact ND2-OE2 3.4Å; K549-E553 WeakPolarHBondContact CE-OE1 3.44Å; K549-E553 HydrophobicContact CG-CG 4.47Å; K549-E553 WeakPolarHBondContact O-CG 3.35Å; K549-E553 PolarHBondContact O-N 2.98Å; F551-E553 PolarHBondContact O-N 2.75Å |
| 554 | A | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -79.7 | -21.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L498 L550 F551 M552 P556 S557 F558 | L498-A554 HydrophobicContact CD1-CB 3.9Å; L498-A554 HydrophobicContact CD2-CB 3.77Å; L498-A554 HydrophobicContact CG-CB 3.62Å; L550-A554 PolarHBondContact O-N 3.2Å; L550-A554 VanDerWaalsContact O-N 3.15Å; F551-A554 PolarHBondContact O-N 2.64Å; M552-A554 VanDerWaalsContact C-N 3.32Å; M552-A554 PolarHBondContact O-N 3.43Å; A554-P556 VanDerWaalsContact C-CD 3.47Å; A554-S557 PolarHBondContact O-N 3.21Å; A554-S557 VanDerWaalsContact O-N 3.1Å; A554-F558 HydrophobicContact CB-CD2 4.35Å; A554-F558 WeakPolarHBondContact O-CD2 3.29Å |
| 555 | A | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.2 | -45.2 | -169 | 0 | 0 | 0 | 0 | 0 | 115 | F551 M552 S557 F558 M559 F564 L568 Y732 | F551-A555 PolarHBondContact O-N 2.82Å; M552-A555 WeakPolarHBondContact O-CB 3.42Å; M552-A555 PolarHBondContact O-N 3.14Å; A555-S557 PolarHBondContact O-N 2.92Å; A555-F558 PolarHBondContact O-N 3.1Å; A555-M559 HydrophobicContact CB-CG 4.49Å; A555-M559 HydrophobicContact CB-SD 4.42Å; A555-M559 VanDerWaalsContact O-CG 3.31Å; A555-M559 WeakPolarHBondContact O-CG 3.4Å; A555-M559 PolarHBondContact O-N 3.49Å; A555-M559 VanDerWaalsContact O-N 3.11Å; A555-F564 VanDerWaalsContact CA-CE1 3.49Å; A555-F564 VanDerWaalsContact CA-CZ 3.45Å; A555-F564 HydrophobicContact CB-CE1 3.72Å; A555-F564 HydrophobicContact CB-CZ 3.83Å; A555-L568 HydrophobicContact CB-CD2 4.15Å; A555-Y732 HydrophobicContact CB-CD2 3.76Å; A555-Y732 HydrophobicContact CB-CE2 3.68Å |
| 556 | P | 96.4 | Very high | 97.8 | Very high | 87 Ų | 87 | 36.4 Ų | 36.4 | 57% | 0.565 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -53 | -28.7 | -179.8 | -28.3 | 36.1 | 0 | 0 | 0 | 114.6 | A554 Y732 | A554-P556 VanDerWaalsContact C-CD 3.47Å; P556-Y732 HydrophobicContact CG-CE2 4.37Å |
| 557 | S | 96.5 | Very high | 97.8 | Very high | 92 Ų | 92 | 33.7 Ų | 33.7 | 64% | 0.643 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -88.6 | -19.1 | -179.9 | -60.3 | 0 | 0 | 0 | 0 | 114.7 | A554 A555 | A554-S557 PolarHBondContact O-N 3.21Å; A554-S557 VanDerWaalsContact O-N 3.1Å; A555-S557 PolarHBondContact O-N 2.92Å |
| 558 | F | 97.1 | Very high | 97.8 | Very high | 20 Ų | 20 | 33.7 Ų | 33.7 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -122 | -1.9 | -168.6 | -69.5 | -81.8 | 0 | 0 | 0 | 115 | N495 L498 A554 A555 S560 K561 F564 | N495-F558 HydrophobicContact CB-CE2 3.73Å; N495-F558 HydrophobicContact CB-CZ 3.87Å; L498-F558 HydrophobicContact CD1-CD2 3.75Å; L498-F558 HydrophobicContact CD1-CE2 3.82Å; L498-F558 HydrophobicContact CD1-CG 4.2Å; L498-F558 HydrophobicContact CD1-CZ 4.3Å; A554-F558 HydrophobicContact CB-CD2 4.35Å; A554-F558 WeakPolarHBondContact O-CD2 3.29Å; A555-F558 PolarHBondContact O-N 3.1Å; F558-S560 PolarHBondContact O-N 3.26Å; F558-K561 HydrophobicContact CD1-CG 4.42Å; F558-K561 WeakPolarHBondContact O-CB 3.46Å; F558-K561 PolarHBondContact O-N 2.85Å; F558-F564 HydrophobicContact CB-CB 3.97Å; F558-F564 HydrophobicContact CB-CD1 3.7Å; F558-F564 HydrophobicContact CB-CD2 3.53Å; F558-F564 HydrophobicContact CB-CE1 4.1Å; F558-F564 HydrophobicContact CB-CE2 3.92Å; F558-F564 HydrophobicContact CB-CG 3.41Å; F558-F564 VanDerWaalsContact CB-CG 3.41Å; F558-F564 HydrophobicContact CB-CZ 4.21Å; F558-F564 HydrophobicContact CG-CD2 4.26Å; F558-F564 WeakPolarHBondContact O-CB 3.4Å |
| 559 | M | 96.4 | Very high | 97.8 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 16% | 0.158 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.5 | 178.9 | -76.7 | -50.9 | -61.7 | 0 | 0 | 115 | A555 K561 F564 Q565 L568 T731 Y732 | A555-M559 HydrophobicContact CB-CG 4.49Å; A555-M559 HydrophobicContact CB-SD 4.42Å; A555-M559 VanDerWaalsContact O-CG 3.31Å; A555-M559 WeakPolarHBondContact O-CG 3.4Å; A555-M559 PolarHBondContact O-N 3.49Å; A555-M559 VanDerWaalsContact O-N 3.11Å; M559-K561 PolarHBondContact O-N 3.23Å; M559-F564 HydrophobicContact SD-CD1 3.94Å; M559-F564 HydrophobicContact SD-CE1 3.8Å; M559-Q565 HydrophobicContact CE-CB 4.48Å; M559-Q565 HydrophobicContact CE-CG 3.72Å; M559-Q565 WeakPolarHBondContact O-CG 3.43Å; M559-Q565 PolarHBondContact O-NE2 3.27Å; M559-L568 HydrophobicContact CE-CD2 4.46Å; M559-L568 HydrophobicContact SD-CD2 3.6Å; M559-T731 HydrophobicContact CE-CG2 3.98Å; M559-Y732 HydrophobicContact CG-CD2 4.08Å; M559-Y732 HydrophobicContact CG-CG 4.16Å; M559-Y732 HydrophobicContact SD-CD2 4.33Å |
| 560 | S | 95.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 31.1 Ų | 31.1 | 70% | 0.699 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -13.6 | 172.9 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | F558 | F558-S560 PolarHBondContact O-N 3.26Š|
| 561 | K | 96.4 | Very high | 97.8 | Very high | 39 Ų | 39 | 30.5 Ų | 30.5 | 17% | 0.17 | 17% | 0.171 | C | C | . | . | trans | -94.6 | 119.6 | -178.5 | -51.1 | -62.3 | 178.7 | 179.6 | 0 | 109.9 | E118 F558 M559 T563 F564 Q565 | E118-K561 IonicContact OE1-NZ 3.83Å; E118-K561 PolarHBondContact OE1-NZ 3.25Å; E118-K561 IonicContact OE2-NZ 2.76Å; E118-K561 PolarHBondContact OE2-NZ 3.26Å; F558-K561 HydrophobicContact CD1-CG 4.42Å; F558-K561 WeakPolarHBondContact O-CB 3.46Å; F558-K561 PolarHBondContact O-N 2.85Å; M559-K561 PolarHBondContact O-N 3.23Å; K561-T563 PolarHBondContact O-N 2.96Å; K561-F564 HydrophobicContact CB-CB 3.99Å; K561-F564 WeakPolarHBondContact O-CB 3.11Å; K561-F564 PolarHBondContact O-N 3.42Å; K561-Q565 WeakPolarHBondContact O-CG 3.21Å; K561-Q565 PolarHBondContact O-N 2.99Å | ||
| 562 | E | 96.1 | Very high | 97.8 | Very high | 83 Ų | 83 | 30.5 Ų | 30.5 | 39% | 0.388 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.4 | -35.9 | 179.8 | 60.1 | 176.3 | -172.4 | 0 | 0 | 113.2 | G114 N115 F564 Q565 Y566 | G114-E562 WeakPolarHBondContact CA-OE1 3.28Å; N115-E562 PolarHBondContact N-OE1 3.38Å; E562-F564 VanDerWaalsContact C-N 3.33Å; E562-F564 PolarHBondContact O-N 2.88Å; E562-Q565 PolarHBondContact O-N 3Å; E562-Y566 PolarHBondContact O-N 2.87Å |
| 563 | T | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -38.7 | 175.8 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | R490 K561 D567 | R490-T563 HydrophobicContact CG-CG2 4.24Å; R490-T563 WeakPolarHBondContact O-CB 3.45Å; R490-T563 PolarHBondContact O-OG1 3.34Å; K561-T563 PolarHBondContact O-N 2.96Å; T563-D567 PolarHBondContact O-N 3.46Å; T563-D567 VanDerWaalsContact O-N 3.15Å |
| 564 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.9 | -43.2 | 175.9 | -176.9 | -91.3 | 0 | 0 | 0 | 111.7 | Y491 L498 F551 A555 F558 M559 K561 E562 Y566 D567 L568 | Y491-F564 HydrophobicContact CD1-CB 3.83Å; Y491-F564 HydrophobicContact CD1-CD2 4.1Å; Y491-F564 HydrophobicContact CD1-CG 4.5Å; Y491-F564 HydrophobicContact CE1-CB 3.99Å; Y491-F564 AromaticContact CE1-CD2 3.95Å; Y491-F564 HydrophobicContact CE1-CD2 3.95Å; Y491-F564 HydrophobicContact CE1-CG 4.48Å; Y491-F564 HydrophobicContact CE2-CD2 4.39Å; Y491-F564 HydrophobicContact CG-CD2 4.39Å; L498-F564 HydrophobicContact CD1-CD2 4.15Å; L498-F564 HydrophobicContact CD1-CE2 3.89Å; L498-F564 HydrophobicContact CD2-CD2 4.46Å; L498-F564 HydrophobicContact CD2-CE2 3.7Å; L498-F564 HydrophobicContact CG-CE2 4.44Å; F551-F564 AromaticContact CD1-CE2 3.89Å; F551-F564 HydrophobicContact CD1-CE2 3.89Å; F551-F564 HydrophobicContact CD1-CZ 4.24Å; F551-F564 HydrophobicContact CE1-CE2 4.27Å; A555-F564 VanDerWaalsContact CA-CE1 3.49Å; A555-F564 VanDerWaalsContact CA-CZ 3.45Å; A555-F564 HydrophobicContact CB-CE1 3.72Å; A555-F564 HydrophobicContact CB-CZ 3.83Å; F558-F564 HydrophobicContact CB-CB 3.97Å; F558-F564 HydrophobicContact CB-CD1 3.7Å; F558-F564 HydrophobicContact CB-CD2 3.53Å; F558-F564 HydrophobicContact CB-CE1 4.1Å; F558-F564 HydrophobicContact CB-CE2 3.92Å; F558-F564 HydrophobicContact CB-CG 3.41Å; F558-F564 VanDerWaalsContact CB-CG 3.41Å; F558-F564 HydrophobicContact CB-CZ 4.21Å; F558-F564 HydrophobicContact CG-CD2 4.26Å; F558-F564 WeakPolarHBondContact O-CB 3.4Å; M559-F564 HydrophobicContact SD-CD1 3.94Å; M559-F564 HydrophobicContact SD-CE1 3.8Å; K561-F564 HydrophobicContact CB-CB 3.99Å; K561-F564 WeakPolarHBondContact O-CB 3.11Å; K561-F564 PolarHBondContact O-N 3.42Å; E562-F564 VanDerWaalsContact C-N 3.33Å; E562-F564 PolarHBondContact O-N 2.88Å; F564-Y566 VanDerWaalsContact C-N 3.26Å; F564-Y566 PolarHBondContact O-N 2.87Å; F564-D567 PolarHBondContact O-N 3.46Å; F564-L568 HydrophobicContact CE1-CB 4.23Å; F564-L568 HydrophobicContact CE1-CD2 4.14Å; F564-L568 WeakPolarHBondContact O-CB 3.47Å; F564-L568 PolarHBondContact O-N 3.02Å |
| 565 | Q | 98.5 | Very high | 97.9 | Very high | 59 Ų | 59 | 25.2 Ų | 25.2 | 28% | 0.276 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.3 | -42.5 | 175.7 | -63.5 | -176.2 | 16.5 | 0 | 0 | 111.6 | M559 K561 E562 V569 | M559-Q565 HydrophobicContact CE-CB 4.48Å; M559-Q565 HydrophobicContact CE-CG 3.72Å; M559-Q565 WeakPolarHBondContact O-CG 3.43Å; M559-Q565 PolarHBondContact O-NE2 3.27Å; K561-Q565 WeakPolarHBondContact O-CG 3.21Å; K561-Q565 PolarHBondContact O-N 2.99Å; E562-Q565 PolarHBondContact O-N 3Å; Q565-V569 WeakPolarHBondContact O-CG2 3.3Å; Q565-V569 PolarHBondContact O-N 2.81Å |
| 566 | Y | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.4 | -51.7 | 175.6 | 175.5 | -83.5 | 0 | 0 | 0 | 111.4 | S113 E562 F564 L568 V569 D570 N623 F624 | S113-Y566 VanDerWaalsContact CB-CD2 3.44Å; S113-Y566 VanDerWaalsContact CB-CG 3.42Å; E562-Y566 PolarHBondContact O-N 2.87Å; F564-Y566 VanDerWaalsContact C-N 3.26Å; F564-Y566 PolarHBondContact O-N 2.87Å; Y566-L568 VanDerWaalsContact C-N 3.33Å; Y566-L568 PolarHBondContact O-N 3Å; Y566-V569 PolarHBondContact O-N 3.29Å; Y566-D570 HydrophobicContact CE1-CB 4.27Å; Y566-D570 PolarHBondContact O-N 3.41Å; Y566-D570 PolarHBondContact OH-OD2 3.28Å; Y566-N623 HydrophobicContact CD2-CB 3.71Å; Y566-N623 HydrophobicContact CE2-CB 3.78Å; Y566-F624 AromaticContact CD2-CE2 3.63Å; Y566-F624 HydrophobicContact CD2-CE2 3.63Å; Y566-F624 HydrophobicContact CD2-CZ 4.01Å; Y566-F624 AromaticContact CE2-CE2 3.57Å; Y566-F624 HydrophobicContact CE2-CE2 3.57Å; Y566-F624 AromaticContact CE2-CZ 3.51Å; Y566-F624 HydrophobicContact CE2-CZ 3.51Å; Y566-F624 HydrophobicContact CG-CE2 4.4Å; Y566-F624 AromaticContact CZ-CZ 3.79Å |
| 567 | D | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 21.8 Ų | 21.8 | 3% | 0.032 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.7 | -34.7 | -175.8 | -66.8 | -25.1 | 0 | 0 | 0 | 111.9 | R490 Y491 F551 T563 F564 V569 D570 V571 | R490-D567 WeakPolarHBondContact CD-OD2 3.4Å; R490-D567 IonicContact CZ-OD1 2.79Å; R490-D567 IonicContact CZ-OD2 2.82Å; R490-D567 IonicContact NE-OD1 2.71Å; R490-D567 PolarHBondContact NE-OD1 3.48Å; R490-D567 IonicContact NE-OD2 3.32Å; R490-D567 PolarHBondContact NE-OD2 3.05Å; R490-D567 IonicContact NH2-OD1 2.87Å; R490-D567 PolarHBondContact NH2-OD1 3.2Å; R490-D567 IonicContact NH2-OD2 3.66Å; R490-D567 PolarHBondContact NH2-OD2 2.98Å; Y491-D567 VanDerWaalsContact CE1-OD2 3.28Å; Y491-D567 WeakPolarHBondContact CE1-OD2 3.29Å; Y491-D567 PolarHBondContact OH-OD2 3.47Å; F551-D567 HydrophobicContact CE1-CB 3.67Å; F551-D567 HydrophobicContact CZ-CB 4.18Å; T563-D567 PolarHBondContact O-N 3.46Å; T563-D567 VanDerWaalsContact O-N 3.15Å; F564-D567 PolarHBondContact O-N 3.46Å; D567-V569 VanDerWaalsContact C-N 3.34Å; D567-V569 PolarHBondContact O-N 3.37Å; D567-D570 PolarHBondContact O-N 3.19Å; D567-V571 WeakPolarHBondContact O-CB 3.4Å; D567-V571 VanDerWaalsContact O-CG2 3.22Å; D567-V571 WeakPolarHBondContact O-CG2 3.1Å; D567-V571 PolarHBondContact O-N 3.13Å |
| 568 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.4 | -178 | 63.3 | 0 | 0 | 0 | 111.8 | F551 M552 A555 M559 F564 Y566 T572 A735 | F551-L568 HydrophobicContact CB-CD1 4.21Å; M552-L568 HydrophobicContact SD-CD1 3.7Å; A555-L568 HydrophobicContact CB-CD2 4.15Å; M559-L568 HydrophobicContact CE-CD2 4.46Å; M559-L568 HydrophobicContact SD-CD2 3.6Å; F564-L568 HydrophobicContact CE1-CB 4.23Å; F564-L568 HydrophobicContact CE1-CD2 4.14Å; F564-L568 WeakPolarHBondContact O-CB 3.47Å; F564-L568 PolarHBondContact O-N 3.02Å; Y566-L568 VanDerWaalsContact C-N 3.33Å; Y566-L568 PolarHBondContact O-N 3Å; L568-T572 VanDerWaalsContact O-CB 3.3Å; L568-T572 WeakPolarHBondContact O-CB 3.41Å; L568-T572 PolarHBondContact O-N 3.24Å; L568-T572 VanDerWaalsContact O-N 3.1Å; L568-T572 PolarHBondContact O-OG1 3.49Å; L568-A735 HydrophobicContact CD2-CB 4.09Å; L568-A735 HydrophobicContact CG-CB 4.2Å |
| 569 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.1 | -47.4 | 174.1 | 168.3 | 0 | 0 | 0 | 0 | 110.6 | Q565 Y566 D567 T572 R573 L617 L618 N621 F624 T731 | Q565-V569 WeakPolarHBondContact O-CG2 3.3Å; Q565-V569 PolarHBondContact O-N 2.81Å; Y566-V569 PolarHBondContact O-N 3.29Å; D567-V569 VanDerWaalsContact C-N 3.34Å; D567-V569 PolarHBondContact O-N 3.37Å; V569-T572 PolarHBondContact O-N 3.48Å; V569-R573 WeakPolarHBondContact O-CB 3.37Å; V569-R573 PolarHBondContact O-N 2.82Å; V569-L617 HydrophobicContact CG1-CG 4.22Å; V569-L617 HydrophobicContact CG2-CD1 4.13Å; V569-L617 HydrophobicContact CG2-CG 4.5Å; V569-L618 HydrophobicContact CG1-CD2 4.17Å; V569-N621 HydrophobicContact CG2-CB 4.04Å; V569-F624 HydrophobicContact CB-CE2 4.15Å; V569-F624 HydrophobicContact CG1-CD2 3.67Å; V569-F624 HydrophobicContact CG1-CE2 3.59Å; V569-F624 HydrophobicContact CG1-CG 4.24Å; V569-F624 HydrophobicContact CG1-CZ 4.11Å; V569-T731 HydrophobicContact CG2-CG2 3.52Å |
| 570 | D | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 15.4 Ų | 15.4 | 2% | 0.016 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.9 | -39.5 | -175 | -154.6 | -1.3 | 0 | 0 | 0 | 112.6 | F425 Y566 D567 R573 Q574 F624 | F425-D570 HydrophobicContact CE1-CB 3.88Å; F425-D570 WeakPolarHBondContact CE1-OD2 3.35Å; F425-D570 HydrophobicContact CZ-CB 4.08Å; Y566-D570 HydrophobicContact CE1-CB 4.27Å; Y566-D570 PolarHBondContact O-N 3.41Å; Y566-D570 PolarHBondContact OH-OD2 3.28Å; D567-D570 PolarHBondContact O-N 3.19Å; D570-R573 PolarHBondContact O-N 3.03Å; D570-R573 IonicContact OD1-CZ 2.76Å; D570-R573 VanDerWaalsContact OD1-CZ 3.32Å; D570-R573 IonicContact OD1-NE 3.25Å; D570-R573 PolarHBondContact OD1-NE 2.99Å; D570-R573 IonicContact OD1-NH2 3.83Å; D570-R573 PolarHBondContact OD1-NH2 3.47Å; D570-Q574 WeakPolarHBondContact O-CB 3.49Å; D570-Q574 PolarHBondContact O-N 2.92Å; D570-F624 HydrophobicContact CB-CZ 4.07Å |
| 571 | V | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.006 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 173.6 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | F425 L505 W548 F551 D567 R573 Q574 V575 | F425-V571 HydrophobicContact CE2-CB 4.23Å; F425-V571 HydrophobicContact CE2-CG2 3.72Å; F425-V571 HydrophobicContact CZ-CB 4.26Å; F425-V571 HydrophobicContact CZ-CG2 3.63Å; L505-V571 HydrophobicContact CD1-CG2 4.29Å; W548-V571 HydrophobicContact CB-CG1 3.77Å; W548-V571 HydrophobicContact CG-CG1 4.14Å; F551-V571 HydrophobicContact CD2-CG2 4.12Å; F551-V571 HydrophobicContact CE1-CG2 4.38Å; F551-V571 HydrophobicContact CE2-CG2 4Å; F551-V571 HydrophobicContact CG-CG2 4.37Å; F551-V571 HydrophobicContact CZ-CG2 4.12Å; D567-V571 WeakPolarHBondContact O-CB 3.4Å; D567-V571 VanDerWaalsContact O-CG2 3.22Å; D567-V571 WeakPolarHBondContact O-CG2 3.1Å; D567-V571 PolarHBondContact O-N 3.13Å; V571-R573 VanDerWaalsContact C-N 3.35Å; V571-R573 PolarHBondContact O-N 3.06Å; V571-Q574 PolarHBondContact O-N 2.95Å; V571-V575 PolarHBondContact O-N 3.44Å |
| 572 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 179.4 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | W548 L568 V569 Q574 V575 L576 L617 I738 | W548-T572 HydrophobicContact CZ2-CG2 3.99Å; W548-T572 PolarHBondContact NE1-OG1 3.01Å; L568-T572 VanDerWaalsContact O-CB 3.3Å; L568-T572 WeakPolarHBondContact O-CB 3.41Å; L568-T572 PolarHBondContact O-N 3.24Å; L568-T572 VanDerWaalsContact O-N 3.1Å; L568-T572 PolarHBondContact O-OG1 3.49Å; V569-T572 PolarHBondContact O-N 3.48Å; T572-Q574 PolarHBondContact O-N 3.01Å; T572-V575 PolarHBondContact O-N 3.45Å; T572-L576 HydrophobicContact CG2-CD1 4.49Å; T572-L576 WeakPolarHBondContact O-CG 3.32Å; T572-L576 PolarHBondContact O-N 3.48Å; T572-L617 HydrophobicContact CG2-CD1 4.32Å; T572-L617 HydrophobicContact CG2-CD2 3.56Å; T572-I738 HydrophobicContact CG2-CB 4.38Å; T572-I738 HydrophobicContact CG2-CD1 4.45Å; T572-I738 HydrophobicContact CG2-CG2 3.76Å |
| 573 | R | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -57.5 | -45.7 | 172.9 | 177.2 | -146.4 | 62.7 | 61.5 | 5.6 | 111.4 | V569 D570 V571 V575 L576 Q577 L614 L617 L618 Q670 | V569-R573 WeakPolarHBondContact O-CB 3.37Å; V569-R573 PolarHBondContact O-N 2.82Å; D570-R573 PolarHBondContact O-N 3.03Å; D570-R573 IonicContact OD1-CZ 2.76Å; D570-R573 VanDerWaalsContact OD1-CZ 3.32Å; D570-R573 IonicContact OD1-NE 3.25Å; D570-R573 PolarHBondContact OD1-NE 2.99Å; D570-R573 IonicContact OD1-NH2 3.83Å; D570-R573 PolarHBondContact OD1-NH2 3.47Å; V571-R573 VanDerWaalsContact C-N 3.35Å; V571-R573 PolarHBondContact O-N 3.06Å; R573-V575 VanDerWaalsContact C-N 3.31Å; R573-V575 PolarHBondContact O-N 3.49Å; R573-L576 PolarHBondContact O-N 3.22Å; R573-Q577 PolarHBondContact O-N 3.44Å; R573-L614 HydrophobicContact CB-CD1 4.2Å; R573-L614 HydrophobicContact CG-CD1 3.9Å; R573-L617 HydrophobicContact CB-CD2 4.44Å; R573-L618 HydrophobicContact CB-CD2 4.27Å; R573-L618 HydrophobicContact CG-CD2 3.96Å; R573-Q670 HydrophobicContact CG-CB 4.42Å |
| 574 | Q | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.009 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -61 | -40.9 | 178.6 | -173.2 | 62.9 | 26.8 | 0 | 0 | 111.7 | F425 Y539 L544 D570 V571 T572 Q577 V578 | F425-Q574 HydrophobicContact CB-CG 4.16Å; F425-Q574 HydrophobicContact CD2-CB 3.84Å; F425-Q574 HydrophobicContact CD2-CG 3.7Å; F425-Q574 HydrophobicContact CE2-CB 4.06Å; F425-Q574 HydrophobicContact CE2-CG 4.39Å; F425-Q574 HydrophobicContact CG-CB 4.28Å; F425-Q574 HydrophobicContact CG-CG 4.04Å; Y539-Q574 PolarHBondContact OH-NE2 2.89Å; L544-Q574 HydrophobicContact CD1-CB 4.27Å; L544-Q574 HydrophobicContact CD1-CG 3.93Å; L544-Q574 HydrophobicContact CD2-CB 4.41Å; L544-Q574 HydrophobicContact CD2-CG 3.66Å; L544-Q574 HydrophobicContact CG-CG 4.46Å; D570-Q574 WeakPolarHBondContact O-CB 3.49Å; D570-Q574 PolarHBondContact O-N 2.92Å; V571-Q574 PolarHBondContact O-N 2.95Å; T572-Q574 PolarHBondContact O-N 3.01Å; Q574-Q577 WeakPolarHBondContact O-CB 3.45Å; Q574-Q577 PolarHBondContact O-N 2.97Å; Q574-V578 PolarHBondContact O-N 3.42Å; Q574-V578 VanDerWaalsContact O-N 3.1Å |
| 575 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | L544 F545 W548 V571 T572 R573 Q577 V578 L579 | L544-V575 HydrophobicContact CD1-CG2 4.35Å; L544-V575 HydrophobicContact CD2-CG2 4.11Å; L544-V575 HydrophobicContact CG-CG2 3.91Å; F545-V575 HydrophobicContact CD1-CB 4.48Å; F545-V575 HydrophobicContact CD1-CG1 3.9Å; F545-V575 HydrophobicContact CD1-CG2 3.92Å; F545-V575 HydrophobicContact CE1-CB 4.42Å; F545-V575 HydrophobicContact CE1-CG1 3.74Å; F545-V575 HydrophobicContact CE1-CG2 4.26Å; W548-V575 HydrophobicContact CB-CG2 3.87Å; W548-V575 HydrophobicContact CD2-CB 4.23Å; W548-V575 HydrophobicContact CD2-CG1 4.26Å; W548-V575 HydrophobicContact CD2-CG2 3.81Å; W548-V575 HydrophobicContact CE3-CB 4.05Å; W548-V575 HydrophobicContact CE3-CG1 3.59Å; W548-V575 HydrophobicContact CE3-CG2 3.8Å; W548-V575 HydrophobicContact CG-CG2 3.89Å; W548-V575 HydrophobicContact CH2-CG1 4.13Å; W548-V575 HydrophobicContact CZ3-CB 4.33Å; W548-V575 HydrophobicContact CZ3-CG1 3.52Å; V571-V575 PolarHBondContact O-N 3.44Å; T572-V575 PolarHBondContact O-N 3.45Å; R573-V575 VanDerWaalsContact C-N 3.31Å; R573-V575 PolarHBondContact O-N 3.49Å; V575-Q577 VanDerWaalsContact C-N 3.27Å; V575-Q577 PolarHBondContact O-N 3.27Å; V575-V578 PolarHBondContact O-N 2.93Å; V575-V578 VanDerWaalsContact O-N 3.11Å; V575-L579 HydrophobicContact CG1-CD1 4.05Å; V575-L579 HydrophobicContact CG1-CG 4.34Å; V575-L579 WeakPolarHBondContact O-CG 3.46Å; V575-L579 PolarHBondContact O-N 3.2Å |
| 576 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.9 | -31.5 | 177.9 | -64.9 | 178.3 | 0 | 0 | 0 | 112.6 | T572 R573 L579 T580 L610 L614 L617 I738 Y742 | T572-L576 HydrophobicContact CG2-CD1 4.49Å; T572-L576 WeakPolarHBondContact O-CG 3.32Å; T572-L576 PolarHBondContact O-N 3.48Å; R573-L576 PolarHBondContact O-N 3.22Å; L576-L579 HydrophobicContact CD2-CD1 4.34Å; L576-L579 PolarHBondContact O-N 3.4Å; L576-T580 WeakPolarHBondContact O-CB 3.5Å; L576-T580 PolarHBondContact O-N 3Å; L576-T580 PolarHBondContact O-OG1 3.39Å; L576-L610 HydrophobicContact CB-CD2 4.37Å; L576-L610 HydrophobicContact CD2-CD1 4.46Å; L576-L610 HydrophobicContact CD2-CG 4.21Å; L576-L614 HydrophobicContact CB-CD1 4.21Å; L576-L614 HydrophobicContact CD1-CB 3.97Å; L576-L614 HydrophobicContact CD1-CD1 3.9Å; L576-L617 HydrophobicContact CD1-CD2 4.38Å; L576-I738 HydrophobicContact CD1-CD1 4.26Å; L576-I738 HydrophobicContact CD1-CG2 3.97Å; L576-I738 HydrophobicContact CD2-CG2 3.86Å; L576-I738 HydrophobicContact CG-CG2 4.22Å; L576-Y742 HydrophobicContact CD2-CD2 4.05Å; L576-Y742 HydrophobicContact CD2-CE2 4.46Å; L576-Y742 HydrophobicContact CD2-CG 4.26Å |
| 577 | Q | 98.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 9.7 Ų | 9.7 | 7% | 0.07 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 170 | -178.8 | -175.4 | -68.3 | 0 | 0 | 111.5 | N521 S523 L525 R573 Q574 V575 L579 T580 S581 | N521-Q577 PolarHBondContact ND2-OE1 3.13Å; S523-Q577 VanDerWaalsContact OG-CD 3.26Å; S523-Q577 WeakPolarHBondContact OG-CG 3.23Å; L525-Q577 HydrophobicContact CB-CG 4.25Å; L525-Q577 HydrophobicContact CD2-CB 3.98Å; L525-Q577 HydrophobicContact CD2-CG 4.09Å; R573-Q577 PolarHBondContact O-N 3.44Å; Q574-Q577 WeakPolarHBondContact O-CB 3.45Å; Q574-Q577 PolarHBondContact O-N 2.97Å; V575-Q577 VanDerWaalsContact C-N 3.27Å; V575-Q577 PolarHBondContact O-N 3.27Å; Q577-L579 VanDerWaalsContact C-N 3.34Å; Q577-L579 PolarHBondContact O-N 2.88Å; Q577-T580 WeakPolarHBondContact O-CB 3.42Å; Q577-T580 PolarHBondContact O-N 2.87Å; Q577-S581 PolarHBondContact O-N 3.03Å |
| 578 | V | 98.4 | Very high | 98.5 | Very high | 8 Ų | 8 | 10.1 Ų | 10.1 | 5% | 0.048 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L537 Y539 P541 L544 F545 Q574 V575 T580 S581 S582 | L537-V578 HydrophobicContact CD1-CG1 4.19Å; L537-V578 HydrophobicContact CD1-CG2 4.28Å; Y539-V578 WeakPolarHBondContact OH-CG2 2.95Å; P541-V578 HydrophobicContact CB-CG1 4.44Å; L544-V578 HydrophobicContact CD2-CG2 3.85Å; F545-V578 HydrophobicContact CE1-CB 4.43Å; F545-V578 HydrophobicContact CE1-CG1 4.17Å; F545-V578 HydrophobicContact CZ-CG1 3.87Å; Q574-V578 PolarHBondContact O-N 3.42Å; Q574-V578 VanDerWaalsContact O-N 3.1Å; V575-V578 PolarHBondContact O-N 2.93Å; V575-V578 VanDerWaalsContact O-N 3.11Å; V578-T580 VanDerWaalsContact C-N 3.3Å; V578-T580 PolarHBondContact O-N 3.37Å; V578-S581 VanDerWaalsContact O-CB 3.28Å; V578-S581 WeakPolarHBondContact O-CB 3.42Å; V578-S581 PolarHBondContact O-N 3.32Å; V578-S581 VanDerWaalsContact O-N 3.11Å; V578-S582 PolarHBondContact O-N 3.08Å |
| 579 | L | 98.3 | Very high | 98.5 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65 | -33.7 | 177 | -70.2 | 176 | 0 | 0 | 0 | 112.6 | V575 L576 Q577 S581 S582 F583 L610 Y742 A746 | V575-L579 HydrophobicContact CG1-CD1 4.05Å; V575-L579 HydrophobicContact CG1-CG 4.34Å; V575-L579 WeakPolarHBondContact O-CG 3.46Å; V575-L579 PolarHBondContact O-N 3.2Å; L576-L579 HydrophobicContact CD2-CD1 4.34Å; L576-L579 PolarHBondContact O-N 3.4Å; Q577-L579 VanDerWaalsContact C-N 3.34Å; Q577-L579 PolarHBondContact O-N 2.88Å; L579-S581 VanDerWaalsContact C-N 3.26Å; L579-S581 PolarHBondContact O-N 3.41Å; L579-S582 WeakPolarHBondContact O-CB 3.4Å; L579-S582 PolarHBondContact O-N 2.82Å; L579-S582 VanDerWaalsContact O-N 3.11Å; L579-F583 HydrophobicContact CB-CE2 4.46Å; L579-F583 WeakPolarHBondContact O-CD2 3.42Å; L579-F583 PolarHBondContact O-N 3.34Å; L579-L610 HydrophobicContact CB-CD1 3.85Å; L579-Y742 HydrophobicContact CD1-CD1 4.2Å; L579-Y742 HydrophobicContact CD1-CG 4.26Å; L579-A746 HydrophobicContact CD2-CB 4.07Å |
| 580 | T | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.5 | -40.3 | 172.5 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | L525 L576 Q577 V578 S582 F583 Y584 L606 L610 | L525-T580 HydrophobicContact CB-CG2 3.96Å; L525-T580 HydrophobicContact CD1-CG2 4.4Å; L576-T580 WeakPolarHBondContact O-CB 3.5Å; L576-T580 PolarHBondContact O-N 3Å; L576-T580 PolarHBondContact O-OG1 3.39Å; Q577-T580 WeakPolarHBondContact O-CB 3.42Å; Q577-T580 PolarHBondContact O-N 2.87Å; V578-T580 VanDerWaalsContact C-N 3.3Å; V578-T580 PolarHBondContact O-N 3.37Å; T580-S582 PolarHBondContact O-N 3.37Å; T580-F583 PolarHBondContact O-N 3.09Å; T580-Y584 WeakPolarHBondContact O-CB 3.47Å; T580-Y584 PolarHBondContact O-N 2.84Å; T580-L606 HydrophobicContact CG2-CD1 3.79Å; T580-L610 VanDerWaalsContact OG1-CD2 3.29Å; T580-L610 WeakPolarHBondContact OG1-CD2 3.13Å |
| 581 | S | 98.1 | Very high | 98.4 | Very high | 10 Ų | 10 | 16.3 Ų | 16.3 | 7% | 0.07 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 173.7 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | P524 Q577 V578 L579 Y584 Q585 | P524-S581 WeakPolarHBondContact CD-OG 3.34Å; Q577-S581 PolarHBondContact O-N 3.03Å; V578-S581 VanDerWaalsContact O-CB 3.28Å; V578-S581 WeakPolarHBondContact O-CB 3.42Å; V578-S581 PolarHBondContact O-N 3.32Å; V578-S581 VanDerWaalsContact O-N 3.11Å; L579-S581 VanDerWaalsContact C-N 3.26Å; L579-S581 PolarHBondContact O-N 3.41Å; S581-Y584 WeakPolarHBondContact O-CB 3.46Å; S581-Y584 PolarHBondContact O-N 3.39Å; S581-Q585 WeakPolarHBondContact O-CG 3.39Å; S581-Q585 PolarHBondContact O-N 2.97Å |
| 582 | S | 97.2 | Very high | 98.3 | Very high | 14 Ų | 14 | 19.6 Ų | 19.6 | 10% | 0.098 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 177.5 | -54.1 | 0 | 0 | 0 | 0 | 112.4 | V578 L579 T580 Y584 Q585 D586 | V578-S582 PolarHBondContact O-N 3.08Å; L579-S582 WeakPolarHBondContact O-CB 3.4Å; L579-S582 PolarHBondContact O-N 2.82Å; L579-S582 VanDerWaalsContact O-N 3.11Å; T580-S582 PolarHBondContact O-N 3.37Å; S582-Y584 VanDerWaalsContact C-N 3.31Å; S582-Y584 PolarHBondContact O-N 2.69Å; S582-Q585 WeakPolarHBondContact O-CB 3.23Å; S582-Q585 PolarHBondContact O-N 3.21Å; S582-D586 PolarHBondContact O-N 3.48Å |
| 583 | F | 98.3 | Very high | 98.3 | Very high | 8 Ų | 8 | 24.6 Ų | 24.6 | 4% | 0.035 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.2 | -34.4 | 175.8 | -76.8 | -67.8 | 0 | 0 | 0 | 112.2 | L579 T580 D586 I587 A602 V605 L606 L610 | L579-F583 HydrophobicContact CB-CE2 4.46Å; L579-F583 WeakPolarHBondContact O-CD2 3.42Å; L579-F583 PolarHBondContact O-N 3.34Å; T580-F583 PolarHBondContact O-N 3.09Å; F583-D586 PolarHBondContact O-N 3.49Å; F583-I587 WeakPolarHBondContact O-CB 3.37Å; F583-I587 WeakPolarHBondContact O-CD1 3.35Å; F583-I587 WeakPolarHBondContact O-CG1 3.21Å; F583-I587 PolarHBondContact O-N 2.8Å; F583-A602 HydrophobicContact CD1-CB 4.42Å; F583-V605 HydrophobicContact CD1-CB 4.47Å; F583-V605 HydrophobicContact CD1-CG1 4.38Å; F583-V605 HydrophobicContact CE1-CB 3.96Å; F583-V605 HydrophobicContact CE1-CG1 3.63Å; F583-V605 HydrophobicContact CE2-CG1 4.01Å; F583-V605 HydrophobicContact CZ-CB 4.28Å; F583-V605 HydrophobicContact CZ-CG1 3.42Å; F583-V605 VanDerWaalsContact CZ-CG1 3.42Å; F583-L606 HydrophobicContact CB-CB 4.25Å; F583-L610 HydrophobicContact CD2-CD1 3.66Å; F583-L610 HydrophobicContact CE2-CD1 3.68Å |
| 584 | Y | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 170.3 | 157.4 | -105.1 | 0 | 0 | 0 | 111.9 | P524 S530 F531 M533 T535 T580 S581 S582 I587 A588 W683 | P524-Y584 HydrophobicContact CB-CD1 4.44Å; P524-Y584 HydrophobicContact CB-CG 4.25Å; P524-Y584 HydrophobicContact CG-CD1 4.02Å; P524-Y584 HydrophobicContact CG-CG 4.33Å; S530-Y584 WeakPolarHBondContact O-CE2 3.41Å; S530-Y584 PolarHBondContact O-OH 3.21Å; F531-Y584 PolarHBondContact O-OH 3.36Å; M533-Y584 HydrophobicContact CB-CD1 4.38Å; M533-Y584 HydrophobicContact CB-CE1 3.78Å; M533-Y584 HydrophobicContact CB-CE2 4.23Å; M533-Y584 HydrophobicContact CG-CE1 4.45Å; M533-Y584 HydrophobicContact CG-CE2 4.01Å; M533-Y584 PolarHBondContact N-OH 2.85Å; M533-Y584 HydrophobicContact SD-CD2 3.78Å; M533-Y584 HydrophobicContact SD-CE2 3.69Å; M533-Y584 HydrophobicContact SD-CG 4.29Å; T535-Y584 HydrophobicContact CG2-CD1 3.56Å; T535-Y584 HydrophobicContact CG2-CE1 3.7Å; T580-Y584 WeakPolarHBondContact O-CB 3.47Å; T580-Y584 PolarHBondContact O-N 2.84Å; S581-Y584 WeakPolarHBondContact O-CB 3.46Å; S581-Y584 PolarHBondContact O-N 3.39Å; S582-Y584 VanDerWaalsContact C-N 3.31Å; S582-Y584 PolarHBondContact O-N 2.69Å; Y584-I587 PolarHBondContact O-N 3.43Å; Y584-A588 HydrophobicContact CE2-CB 4.36Å; Y584-A588 WeakPolarHBondContact O-CB 3.31Å; Y584-A588 PolarHBondContact O-N 3.38Å; Y584-W683 AromaticContact CD2-CH2 3.7Å; Y584-W683 HydrophobicContact CD2-CH2 3.7Å; Y584-W683 HydrophobicContact CD2-CZ3 4.19Å; Y584-W683 HydrophobicContact CG-CH2 4.08Å |
| 585 | Q | 97.9 | Very high | 98.2 | Very high | 67 Ų | 67 | 37.5 Ų | 37.5 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 176.6 | -70.7 | 171.7 | -37.7 | 0 | 0 | 111.2 | T535 S581 S582 I587 A588 D589 | T535-Q585 HydrophobicContact CG2-CG 4.15Å; T535-Q585 PolarHBondContact OG1-NE2 3.4Å; T535-Q585 VanDerWaalsContact OG1-NE2 3.1Å; S581-Q585 WeakPolarHBondContact O-CG 3.39Å; S581-Q585 PolarHBondContact O-N 2.97Å; S582-Q585 WeakPolarHBondContact O-CB 3.23Å; S582-Q585 PolarHBondContact O-N 3.21Å; Q585-I587 VanDerWaalsContact C-N 3.34Å; Q585-I587 PolarHBondContact O-N 3.29Å; Q585-A588 PolarHBondContact O-N 3.16Å; Q585-A588 VanDerWaalsContact O-N 3.16Å; Q585-D589 WeakPolarHBondContact O-CB 3.26Å; Q585-D589 PolarHBondContact O-N 3.13Å |
| 586 | D | 97.8 | Very high | 98.1 | Very high | 54 Ų | 54 | 39.8 Ų | 39.8 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.7 | -63 | -16.8 | 0 | 0 | 0 | 112.4 | S582 F583 A590 A602 R749 | S582-D586 PolarHBondContact O-N 3.48Å; F583-D586 PolarHBondContact O-N 3.49Å; D586-A590 WeakPolarHBondContact O-CB 3.16Å; D586-A590 PolarHBondContact O-N 3.13Å; D586-A602 HydrophobicContact CB-CB 3.72Å; D586-R749 IonicContact OD1-NH1 2.71Å; D586-R749 PolarHBondContact OD1-NH1 3.43Å; D586-R749 IonicContact OD2-CZ 2.74Å; D586-R749 IonicContact OD2-NH1 3.6Å; D586-R749 PolarHBondContact OD2-NH1 3.1Å; D586-R749 IonicContact OD2-NH2 3.28Å; D586-R749 PolarHBondContact OD2-NH2 3.44Å |
| 587 | I | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 175.4 | -72.7 | 162.3 | 0 | 0 | 0 | 110.2 | F583 Y584 Q585 F591 L599 A602 L606 F686 V687 L690 | F583-I587 WeakPolarHBondContact O-CB 3.37Å; F583-I587 WeakPolarHBondContact O-CD1 3.35Å; F583-I587 WeakPolarHBondContact O-CG1 3.21Å; F583-I587 PolarHBondContact O-N 2.8Å; Y584-I587 PolarHBondContact O-N 3.43Å; Q585-I587 VanDerWaalsContact C-N 3.34Å; Q585-I587 PolarHBondContact O-N 3.29Å; I587-F591 WeakPolarHBondContact O-CB 3.24Å; I587-F591 PolarHBondContact O-N 3.33Å; I587-L599 HydrophobicContact CB-CD1 4.4Å; I587-L599 HydrophobicContact CG2-CD1 3.77Å; I587-A602 HydrophobicContact CG1-CB 3.8Å; I587-L606 HydrophobicContact CD1-CB 4.34Å; I587-L606 HydrophobicContact CD1-CD2 3.67Å; I587-F686 HydrophobicContact CG2-CE1 4.24Å; I587-V687 HydrophobicContact CD1-CG2 4.07Å; I587-L690 HydrophobicContact CG2-CD1 3.65Å |
| 588 | A | 98.3 | Very high | 98.1 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 12% | 0.124 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -46.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F531 Y584 Q585 F591 A592 | F531-A588 HydrophobicContact CD1-CB 4.04Å; F531-A588 HydrophobicContact CE1-CB 4.2Å; Y584-A588 HydrophobicContact CE2-CB 4.36Å; Y584-A588 WeakPolarHBondContact O-CB 3.31Å; Y584-A588 PolarHBondContact O-N 3.38Å; Q585-A588 PolarHBondContact O-N 3.16Å; Q585-A588 VanDerWaalsContact O-N 3.16Å; A588-F591 PolarHBondContact O-N 2.78Å; A588-A592 WeakPolarHBondContact O-CB 3.25Å; A588-A592 PolarHBondContact O-N 3.45Å |
| 589 | D | 98 | Very high | 98.1 | Very high | 98 Ų | 98 | 46.9 Ų | 46.9 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.6 | -43 | 178.6 | -73.1 | -17.2 | 0 | 0 | 0 | 111.7 | Q585 F591 A592 N593 | Q585-D589 WeakPolarHBondContact O-CB 3.26Å; Q585-D589 PolarHBondContact O-N 3.13Å; D589-F591 VanDerWaalsContact C-N 3.35Å; D589-F591 PolarHBondContact O-N 3.31Å; D589-A592 PolarHBondContact O-N 2.92Å; D589-N593 WeakPolarHBondContact O-CB 3.14Å; D589-N593 PolarHBondContact O-N 2.79Å; D589-N593 PolarHBondContact O-ND2 2.71Å |
| 590 | A | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D586 N593 K594 K595 E598 L599 | D586-A590 WeakPolarHBondContact O-CB 3.16Å; D586-A590 PolarHBondContact O-N 3.13Å; A590-N593 CarbonylContact O-C 3.6Å; A590-N593 PolarHBondContact O-N 3.25Å; A590-K594 PolarHBondContact O-N 2.82Å; A590-K595 HydrophobicContact CB-CB 4.35Å; A590-K595 PolarHBondContact O-N 3.3Å; A590-E598 HydrophobicContact CB-CB 3.81Å; A590-L599 HydrophobicContact CB-CB 3.94Å |
| 591 | F | 98.4 | Very high | 98.1 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 13% | 0.127 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 176.1 | -176.3 | -98.8 | 0 | 0 | 0 | 112.1 | F531 I587 A588 D589 N593 K594 L599 L690 C693 L694 | F531-F591 HydrophobicContact CE1-CB 4.27Å; F531-F591 AromaticContact CE1-CD1 3.79Å; F531-F591 HydrophobicContact CE1-CD1 3.79Å; F531-F591 HydrophobicContact CE1-CG 4.31Å; F531-F591 HydrophobicContact CE2-CD1 4.07Å; F531-F591 HydrophobicContact CE2-CE1 4.09Å; F531-F591 HydrophobicContact CZ-CB 4.24Å; F531-F591 AromaticContact CZ-CD1 3.23Å; F531-F591 HydrophobicContact CZ-CD1 3.23Å; F531-F591 AromaticContact CZ-CE1 3.69Å; F531-F591 HydrophobicContact CZ-CE1 3.69Å; F531-F591 AromaticContact CZ-CG 3.84Å; F531-F591 HydrophobicContact CZ-CG 3.84Å; I587-F591 WeakPolarHBondContact O-CB 3.24Å; I587-F591 PolarHBondContact O-N 3.33Å; A588-F591 PolarHBondContact O-N 2.78Å; D589-F591 VanDerWaalsContact C-N 3.35Å; D589-F591 PolarHBondContact O-N 3.31Å; F591-N593 PolarHBondContact O-N 3.5Å; F591-K594 PolarHBondContact O-N 3.44Å; F591-L599 HydrophobicContact CD2-CD2 4.29Å; F591-L690 HydrophobicContact CB-CD1 4.22Å; F591-L690 HydrophobicContact CD1-CD2 4.32Å; F591-L690 HydrophobicContact CD2-CB 3.71Å; F591-L690 HydrophobicContact CD2-CD1 4.33Å; F591-L690 HydrophobicContact CD2-CD2 3.94Å; F591-L690 HydrophobicContact CD2-CG 4.19Å; F591-L690 HydrophobicContact CE1-CD2 4.26Å; F591-L690 HydrophobicContact CE2-CB 4.02Å; F591-L690 HydrophobicContact CE2-CD2 3.9Å; F591-L690 HydrophobicContact CE2-CG 4.49Å; F591-L690 WeakPolarHBondContact CE2-O 3.38Å; F591-L690 HydrophobicContact CG-CB 4.43Å; F591-L690 HydrophobicContact CG-CD1 4.24Å; F591-L690 HydrophobicContact CG-CD2 4.15Å; F591-L690 HydrophobicContact CZ-CD2 4.06Å; F591-C693 HydrophobicContact CE2-CB 3.81Å; F591-C693 HydrophobicContact CZ-CB 3.97Å; F591-L694 HydrophobicContact CD2-CD1 4.05Å; F591-L694 HydrophobicContact CD2-CD2 3.82Å; F591-L694 HydrophobicContact CD2-CG 3.64Å; F591-L694 HydrophobicContact CE2-CD2 3.74Å; F591-L694 HydrophobicContact CE2-CG 3.71Å |
| 592 | A | 97.2 | Very high | 98.1 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 59% | 0.587 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.8 | -37.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A588 D589 K594 | A588-A592 WeakPolarHBondContact O-CB 3.25Å; A588-A592 PolarHBondContact O-N 3.45Å; D589-A592 PolarHBondContact O-N 2.92Å; A592-K594 VanDerWaalsContact C-N 3.34Å |
| 593 | N | 97.8 | Very high | 98.2 | Very high | 105 Ų | 105 | 55 Ų | 55 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 5.7 | 178.5 | -67.4 | -71.2 | 0 | 0 | 0 | 114 | D589 A590 F591 K595 | D589-N593 WeakPolarHBondContact O-CB 3.14Å; D589-N593 PolarHBondContact O-N 2.79Å; D589-N593 PolarHBondContact O-ND2 2.71Å; A590-N593 CarbonylContact O-C 3.6Å; A590-N593 PolarHBondContact O-N 3.25Å; F591-N593 PolarHBondContact O-N 3.5Å; N593-K595 HydrophobicContact CB-CD 4.05Å; N593-K595 HydrophobicContact CB-CG 3.99Å; N593-K595 PolarHBondContact O-N 2.85Å |
| 594 | K | 97.4 | Very high | 98.2 | Very high | 170 Ų | 170 | 55.6 Ų | 55.6 | 74% | 0.739 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 34.1 | -179.2 | -53.1 | -178.4 | -178.5 | -178.5 | 0 | 113.9 | A590 F591 A592 M596 L694 | A590-K594 PolarHBondContact O-N 2.82Å; F591-K594 PolarHBondContact O-N 3.44Å; A592-K594 VanDerWaalsContact C-N 3.34Å; K594-M596 PolarHBondContact O-N 2.81Å; K594-L694 HydrophobicContact CB-CD2 4.23Å; K594-L694 HydrophobicContact CG-CD2 4.15Å |
| 595 | K | 98.2 | Very high | 98.2 | Very high | 103 Ų | 103 | 56.6 Ų | 56.6 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | trans | -93 | 84.8 | -177.6 | -76 | -174.8 | 176.3 | -168.6 | 0 | 110.5 | A590 N593 E598 L599 | A590-K595 HydrophobicContact CB-CB 4.35Å; A590-K595 PolarHBondContact O-N 3.3Å; N593-K595 HydrophobicContact CB-CD 4.05Å; N593-K595 HydrophobicContact CB-CG 3.99Å; N593-K595 PolarHBondContact O-N 2.85Å; K595-E598 HydrophobicContact CB-CB 4.07Å; K595-E598 HydrophobicContact CB-CG 4.3Å; K595-E598 WeakPolarHBondContact CB-OE2 3.45Å; K595-E598 HydrophobicContact CD-CG 4.38Å; K595-E598 PolarHBondContact O-N 3.06Å; K595-L599 WeakPolarHBondContact O-CB 3.4Å; K595-L599 PolarHBondContact O-N 3.25Å | ||
| 596 | M | 98 | Very high | 98.2 | Very high | 48 Ų | 48 | 53.4 Ų | 53.4 | 24% | 0.236 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.1 | -47.4 | -176.1 | -178.7 | 67 | 83.4 | 0 | 0 | 113.7 | K594 E598 L599 L600 V691 L694 D695 | K594-M596 PolarHBondContact O-N 2.81Å; M596-E598 VanDerWaalsContact C-N 3.32Å; M596-E598 PolarHBondContact O-N 3.37Å; M596-L599 PolarHBondContact O-N 3.19Å; M596-L600 HydrophobicContact CG-CD1 3.99Å; M596-L600 HydrophobicContact CG-CG 4.35Å; M596-L600 WeakPolarHBondContact O-CG 3.35Å; M596-L600 PolarHBondContact O-N 3.19Å; M596-L600 HydrophobicContact SD-CD1 4.21Å; M596-L600 HydrophobicContact SD-CG 4.08Å; M596-V691 HydrophobicContact CE-CG1 4.21Å; M596-V691 HydrophobicContact SD-CG1 4.05Å; M596-V691 HydrophobicContact SD-CG2 4.38Å; M596-L694 HydrophobicContact CE-CB 3.57Å; M596-L694 HydrophobicContact CE-CD1 4.45Å; M596-D695 HydrophobicContact CE-CB 4.18Å |
| 597 | P | 98.4 | Very high | 98.2 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 56% | 0.558 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.1 | -40.2 | 179.7 | -24.2 | 35.6 | 0 | 0 | 0 | 113.3 | T601 | P597-T601 WeakPolarHBondContact O-CB 3.44Å; P597-T601 PolarHBondContact O-N 3.43Å; P597-T601 PolarHBondContact O-OG1 2.86Å |
| 598 | E | 98.4 | Very high | 98.2 | Very high | 86 Ų | 86 | 60.4 Ų | 60.4 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 178.3 | -66.7 | 87.9 | 149.5 | 0 | 0 | 111.2 | A590 K595 M596 T601 A602 | A590-E598 HydrophobicContact CB-CB 3.81Å; K595-E598 HydrophobicContact CB-CB 4.07Å; K595-E598 HydrophobicContact CB-CG 4.3Å; K595-E598 WeakPolarHBondContact CB-OE2 3.45Å; K595-E598 HydrophobicContact CD-CG 4.38Å; K595-E598 PolarHBondContact O-N 3.06Å; M596-E598 VanDerWaalsContact C-N 3.32Å; M596-E598 PolarHBondContact O-N 3.37Å; E598-T601 PolarHBondContact O-N 3.33Å; E598-A602 WeakPolarHBondContact O-CB 3.4Å; E598-A602 PolarHBondContact O-N 3.17Å |
| 599 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 175 | 175.8 | 62.6 | 0 | 0 | 0 | 111.3 | I587 A590 F591 K595 M596 T601 G603 L690 V691 L694 | I587-L599 HydrophobicContact CB-CD1 4.4Å; I587-L599 HydrophobicContact CG2-CD1 3.77Å; A590-L599 HydrophobicContact CB-CB 3.94Å; F591-L599 HydrophobicContact CD2-CD2 4.29Å; K595-L599 WeakPolarHBondContact O-CB 3.4Å; K595-L599 PolarHBondContact O-N 3.25Å; M596-L599 PolarHBondContact O-N 3.19Å; L599-T601 VanDerWaalsContact C-N 3.3Å; L599-T601 PolarHBondContact O-N 3.47Å; L599-G603 WeakPolarHBondContact O-CA 3.45Å; L599-G603 PolarHBondContact O-N 3.09Å; L599-L690 HydrophobicContact CD1-CB 4.37Å; L599-L690 HydrophobicContact CD1-CD1 4.26Å; L599-L690 HydrophobicContact CD2-CB 4.01Å; L599-V691 HydrophobicContact CD2-CG2 3.84Å; L599-V691 HydrophobicContact CG-CG2 4.16Å; L599-L694 HydrophobicContact CD2-CD1 3.58Å; L599-L694 HydrophobicContact CD2-CG 4.31Å |
| 600 | L | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 48% | 0.482 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 177.5 | -71.2 | 173.5 | 0 | 0 | 0 | 111.8 | M596 G604 V691 | M596-L600 HydrophobicContact CG-CD1 3.99Å; M596-L600 HydrophobicContact CG-CG 4.35Å; M596-L600 WeakPolarHBondContact O-CG 3.35Å; M596-L600 PolarHBondContact O-N 3.19Å; M596-L600 HydrophobicContact SD-CD1 4.21Å; M596-L600 HydrophobicContact SD-CG 4.08Å; L600-G604 VanDerWaalsContact O-CA 3.31Å; L600-G604 WeakPolarHBondContact O-CA 3.34Å; L600-G604 PolarHBondContact O-N 3.09Å; L600-V691 HydrophobicContact CD2-CG1 4.28Å; L600-V691 HydrophobicContact CD2-CG2 3.74Å |
| 601 | T | 98.3 | Very high | 98.3 | Very high | 95 Ų | 95 | 56.4 Ų | 56.4 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.1 | -54.5 | 178.8 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | P597 E598 L599 G604 V605 | P597-T601 WeakPolarHBondContact O-CB 3.44Å; P597-T601 PolarHBondContact O-N 3.43Å; P597-T601 PolarHBondContact O-OG1 2.86Å; E598-T601 PolarHBondContact O-N 3.33Å; L599-T601 VanDerWaalsContact C-N 3.3Å; L599-T601 PolarHBondContact O-N 3.47Å; T601-G604 PolarHBondContact O-N 3.29Å; T601-V605 WeakPolarHBondContact O-CG2 3.31Å; T601-V605 PolarHBondContact O-N 2.89Å |
| 602 | A | 98.3 | Very high | 98.3 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.7 | -44.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F583 D586 I587 E598 V605 L606 | F583-A602 HydrophobicContact CD1-CB 4.42Å; D586-A602 HydrophobicContact CB-CB 3.72Å; I587-A602 HydrophobicContact CG1-CB 3.8Å; E598-A602 WeakPolarHBondContact O-CB 3.4Å; E598-A602 PolarHBondContact O-N 3.17Å; A602-V605 PolarHBondContact O-N 2.83Å; A602-L606 WeakPolarHBondContact O-CB 3.43Å; A602-L606 PolarHBondContact O-N 3.11Å |
| 603 | G | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L599 L606 V607 | L599-G603 WeakPolarHBondContact O-CA 3.45Å; L599-G603 PolarHBondContact O-N 3.09Å; G603-L606 PolarHBondContact O-N 3.28Å; G603-V607 WeakPolarHBondContact O-CB 3.5Å; G603-V607 WeakPolarHBondContact O-CG2 3.34Å; G603-V607 PolarHBondContact O-N 2.92Å |
| 604 | G | 98.2 | Very high | 98.4 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L600 T601 Y608 | L600-G604 VanDerWaalsContact O-CA 3.31Å; L600-G604 WeakPolarHBondContact O-CA 3.34Å; L600-G604 PolarHBondContact O-N 3.09Å; T601-G604 PolarHBondContact O-N 3.29Å; G604-Y608 WeakPolarHBondContact O-CB 3.42Å; G604-Y608 PolarHBondContact O-N 3.43Å |
| 605 | V | 98.3 | Very high | 98.5 | Very high | 35 Ų | 35 | 42 Ų | 42 | 21% | 0.212 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 175.5 | 174.2 | 0 | 0 | 0 | 0 | 111 | F583 T601 A602 D609 L610 Y742 | F583-V605 HydrophobicContact CD1-CB 4.47Å; F583-V605 HydrophobicContact CD1-CG1 4.38Å; F583-V605 HydrophobicContact CE1-CB 3.96Å; F583-V605 HydrophobicContact CE1-CG1 3.63Å; F583-V605 HydrophobicContact CE2-CG1 4.01Å; F583-V605 HydrophobicContact CZ-CB 4.28Å; F583-V605 HydrophobicContact CZ-CG1 3.42Å; F583-V605 VanDerWaalsContact CZ-CG1 3.42Å; T601-V605 WeakPolarHBondContact O-CG2 3.31Å; T601-V605 PolarHBondContact O-N 2.89Å; A602-V605 PolarHBondContact O-N 2.83Å; V605-D609 VanDerWaalsContact O-CB 3.28Å; V605-D609 WeakPolarHBondContact O-CB 3.3Å; V605-D609 PolarHBondContact O-N 3.39Å; V605-L610 PolarHBondContact O-N 2.93Å; V605-Y742 HydrophobicContact CG1-CE1 4.38Å |
| 606 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -61.2 | -53.3 | 178.5 | 178.1 | 58.4 | 0 | 0 | 0 | 111.7 | T580 F583 I587 A602 G603 L610 L611 W683 | T580-L606 HydrophobicContact CG2-CD1 3.79Å; F583-L606 HydrophobicContact CB-CB 4.25Å; I587-L606 HydrophobicContact CD1-CB 4.34Å; I587-L606 HydrophobicContact CD1-CD2 3.67Å; A602-L606 WeakPolarHBondContact O-CB 3.43Å; A602-L606 PolarHBondContact O-N 3.11Å; G603-L606 PolarHBondContact O-N 3.28Å; L606-L610 HydrophobicContact CD1-CD2 4.3Å; L606-L611 HydrophobicContact CD1-CD1 4.15Å; L606-L611 HydrophobicContact CD1-CD2 4.3Å; L606-L611 HydrophobicContact CD1-CG 3.93Å; L606-L611 HydrophobicContact CG-CD1 4.26Å; L606-L611 HydrophobicContact CG-CG 4.48Å; L606-L611 VanDerWaalsContact O-CG 3.3Å; L606-L611 WeakPolarHBondContact O-CG 3.4Å; L606-L611 PolarHBondContact O-N 3.33Å; L606-L611 VanDerWaalsContact O-N 3.09Å; L606-W683 HydrophobicContact CD2-CD2 3.8Å; L606-W683 HydrophobicContact CD2-CE3 3.59Å; L606-W683 HydrophobicContact CD2-CG 4.3Å; L606-W683 HydrophobicContact CD2-CZ3 3.99Å |
| 607 | V | 98.6 | Very high | 98.6 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 9% | 0.085 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -79.6 | -42.1 | -168.5 | 175.2 | 0 | 0 | 0 | 0 | 112.8 | G603 P612 W683 V687 | G603-V607 WeakPolarHBondContact O-CB 3.5Å; G603-V607 WeakPolarHBondContact O-CG2 3.34Å; G603-V607 PolarHBondContact O-N 2.92Å; V607-P612 VanDerWaalsContact O-CD 3.24Å; V607-P612 WeakPolarHBondContact O-CD 3.37Å; V607-P612 WeakPolarHBondContact O-CG 3.18Å; V607-W683 HydrophobicContact CG2-CB 4.24Å; V607-V687 HydrophobicContact CG2-CB 4.41Å; V607-V687 HydrophobicContact CG2-CG2 4.01Å |
| 608 | Y | 98.3 | Very high | 98.6 | Very high | 187 Ų | 187 | 36.7 Ų | 36.7 | 73% | 0.733 | 18% | 0.184 | S | C | * | . | I | π-helix | trans | -101 | 0 | -170.7 | -56.6 | -65.1 | 0 | 0 | 0 | 113.8 | G604 | G604-Y608 WeakPolarHBondContact O-CB 3.42Å; G604-Y608 PolarHBondContact O-N 3.43Å |
| 609 | D | 98.3 | Very high | 98.6 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -138.6 | -65.2 | -173.9 | -169 | 6.9 | 0 | 0 | 0 | 113 | V605 P612 E613 K741 Y742 | V605-D609 VanDerWaalsContact O-CB 3.28Å; V605-D609 WeakPolarHBondContact O-CB 3.3Å; V605-D609 PolarHBondContact O-N 3.39Å; D609-P612 WeakPolarHBondContact O-CD 3.12Å; D609-E613 WeakPolarHBondContact O-CB 3.3Å; D609-E613 WeakPolarHBondContact O-CG 3.22Å; D609-E613 PolarHBondContact O-N 3.5Å; D609-K741 WeakPolarHBondContact OD1-CE 3.47Å; D609-K741 IonicContact OD1-NZ 2.92Å; D609-K741 PolarHBondContact OD1-NZ 3.25Å; D609-K741 WeakPolarHBondContact OD2-CE 3.37Å; D609-K741 IonicContact OD2-NZ 2.68Å; D609-K741 PolarHBondContact OD2-NZ 3.43Å; D609-Y742 PolarHBondContact OD1-OH 3.5Å; D609-Y742 PolarHBondContact OD2-OH 2.77Å |
| 610 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -62.5 | -51.8 | -176.4 | -173.2 | 155 | 0 | 0 | 0 | 112.1 | L576 L579 T580 F583 V605 L606 E613 L614 Y742 | L576-L610 HydrophobicContact CB-CD2 4.37Å; L576-L610 HydrophobicContact CD2-CD1 4.46Å; L576-L610 HydrophobicContact CD2-CG 4.21Å; L579-L610 HydrophobicContact CB-CD1 3.85Å; T580-L610 VanDerWaalsContact OG1-CD2 3.29Å; T580-L610 WeakPolarHBondContact OG1-CD2 3.13Å; F583-L610 HydrophobicContact CD2-CD1 3.66Å; F583-L610 HydrophobicContact CE2-CD1 3.68Å; V605-L610 PolarHBondContact O-N 2.93Å; L606-L610 HydrophobicContact CD1-CD2 4.3Å; L610-E613 PolarHBondContact O-N 2.79Å; L610-L614 WeakPolarHBondContact O-CB 3.2Å; L610-L614 PolarHBondContact O-N 3.01Å; L610-Y742 VanDerWaalsContact CA-OH 3.28Å; L610-Y742 WeakPolarHBondContact CA-OH 3.38Å; L610-Y742 HydrophobicContact CB-CE1 4.34Å; L610-Y742 HydrophobicContact CD1-CE1 4.31Å; L610-Y742 PolarHBondContact N-OH 3.37Å; L610-Y742 VanDerWaalsContact N-OH 3.15Å |
| 611 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | -179.5 | -64.6 | 176.8 | 0 | 0 | 0 | 112.8 | L525 L606 L614 N615 I675 A680 W683 | L525-L611 HydrophobicContact CD1-CD2 3.36Å; L606-L611 HydrophobicContact CD1-CD1 4.15Å; L606-L611 HydrophobicContact CD1-CD2 4.3Å; L606-L611 HydrophobicContact CD1-CG 3.93Å; L606-L611 HydrophobicContact CG-CD1 4.26Å; L606-L611 HydrophobicContact CG-CG 4.48Å; L606-L611 VanDerWaalsContact O-CG 3.3Å; L606-L611 WeakPolarHBondContact O-CG 3.4Å; L606-L611 PolarHBondContact O-N 3.33Å; L606-L611 VanDerWaalsContact O-N 3.09Å; L611-L614 HydrophobicContact CD2-CD2 4.44Å; L611-L614 PolarHBondContact O-N 3.24Å; L611-N615 WeakPolarHBondContact O-CB 3.47Å; L611-N615 PolarHBondContact O-N 3.46Å; L611-I675 HydrophobicContact CB-CG2 4.33Å; L611-I675 HydrophobicContact CD2-CG2 4.46Å; L611-I675 WeakPolarHBondContact O-CG2 3.43Å; L611-A680 HydrophobicContact CB-CB 4.12Å; L611-A680 HydrophobicContact CD1-CB 3.96Å; L611-W683 HydrophobicContact CD1-CB 3.95Å; L611-W683 HydrophobicContact CD1-CG 4.09Å |
| 612 | P | 98.8 | Very high | 98.6 | Very high | 45 Ų | 45 | 30.4 Ų | 30.4 | 29% | 0.292 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 170.3 | -30 | 37.8 | 0 | 0 | 0 | 114.3 | V607 D609 N615 R616 | V607-P612 VanDerWaalsContact O-CD 3.24Å; V607-P612 WeakPolarHBondContact O-CD 3.37Å; V607-P612 WeakPolarHBondContact O-CG 3.18Å; D609-P612 WeakPolarHBondContact O-CD 3.12Å; P612-N615 PolarHBondContact O-N 3.25Å; P612-R616 WeakPolarHBondContact O-CG 3.43Å; P612-R616 PolarHBondContact O-N 3.42Å |
| 613 | E | 98.7 | Very high | 98.5 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 175.7 | -75.9 | -60.9 | 129.7 | 0 | 0 | 111.9 | D609 L610 N615 R616 L617 R737 I738 | D609-E613 WeakPolarHBondContact O-CB 3.3Å; D609-E613 WeakPolarHBondContact O-CG 3.22Å; D609-E613 PolarHBondContact O-N 3.5Å; L610-E613 PolarHBondContact O-N 2.79Å; E613-N615 VanDerWaalsContact C-N 3.34Å; E613-N615 PolarHBondContact O-N 2.87Å; E613-R616 PolarHBondContact O-N 3.05Å; E613-R616 IonicContact OE1-CZ 2.8Å; E613-R616 IonicContact OE1-NH1 2.93Å; E613-R616 PolarHBondContact OE1-NH1 3.24Å; E613-L617 WeakPolarHBondContact O-CB 3.45Å; E613-L617 PolarHBondContact O-N 2.9Å; E613-R737 IonicContact OE1-CZ 3.17Å; E613-R737 IonicContact OE1-NE 3.43Å; E613-R737 PolarHBondContact OE1-NE 2.95Å; E613-R737 IonicContact OE1-NH2 2.56Å; E613-R737 PolarHBondContact OE1-NH2 3.3Å; E613-R737 IonicContact OE2-CZ 2.72Å; E613-R737 IonicContact OE2-NE 3.21Å; E613-R737 PolarHBondContact OE2-NE 3.23Å; E613-R737 IonicContact OE2-NH2 3.43Å; E613-R737 PolarHBondContact OE2-NH2 3.42Å; E613-I738 HydrophobicContact CB-CD1 4.16Å; E613-I738 HydrophobicContact CB-CG1 4.02Å; E613-I738 HydrophobicContact CG-CG1 4.44Å |
| 614 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 172.4 | 178.6 | 61.2 | 0 | 0 | 0 | 111.4 | L525 R573 L576 L610 L611 R616 L617 L618 I675 | L525-L614 HydrophobicContact CD1-CD2 3.75Å; L525-L614 HydrophobicContact CD2-CD2 3.76Å; L525-L614 HydrophobicContact CG-CD2 4.4Å; R573-L614 HydrophobicContact CB-CD1 4.2Å; R573-L614 HydrophobicContact CG-CD1 3.9Å; L576-L614 HydrophobicContact CB-CD1 4.21Å; L576-L614 HydrophobicContact CD1-CB 3.97Å; L576-L614 HydrophobicContact CD1-CD1 3.9Å; L610-L614 WeakPolarHBondContact O-CB 3.2Å; L610-L614 PolarHBondContact O-N 3.01Å; L611-L614 HydrophobicContact CD2-CD2 4.44Å; L611-L614 PolarHBondContact O-N 3.24Å; L614-R616 VanDerWaalsContact C-N 3.34Å; L614-R616 PolarHBondContact O-N 3.35Å; L614-L617 PolarHBondContact O-N 3.34Å; L614-L618 HydrophobicContact CD1-CD1 3.86Å; L614-L618 HydrophobicContact CD1-CG 4.09Å; L614-L618 HydrophobicContact CG-CD1 3.88Å; L614-L618 HydrophobicContact CG-CG 4.5Å; L614-L618 VanDerWaalsContact O-CG 3.28Å; L614-L618 WeakPolarHBondContact O-CG 3.34Å; L614-L618 PolarHBondContact O-N 3.11Å; L614-I675 HydrophobicContact CB-CG2 4.47Å; L614-I675 HydrophobicContact CD2-CD1 4.02Å; L614-I675 HydrophobicContact CD2-CG1 4.2Å; L614-I675 HydrophobicContact CD2-CG2 4.27Å; L614-I675 HydrophobicContact CG-CG1 4.25Å; L614-I675 HydrophobicContact CG-CG2 4.38Å |
| 615 | N | 98.9 | Very high | 98.6 | Very high | 14 Ų | 14 | 31.9 Ų | 31.9 | 8% | 0.075 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 176.2 | -176.9 | 62.7 | 0 | 0 | 0 | 112 | L611 P612 E613 S619 G672 G673 I675 E676 | L611-N615 WeakPolarHBondContact O-CB 3.47Å; L611-N615 PolarHBondContact O-N 3.46Å; P612-N615 PolarHBondContact O-N 3.25Å; E613-N615 VanDerWaalsContact C-N 3.34Å; E613-N615 PolarHBondContact O-N 2.87Å; N615-S619 VanDerWaalsContact O-CB 3.23Å; N615-S619 WeakPolarHBondContact O-CB 3.46Å; N615-S619 PolarHBondContact O-N 3.26Å; N615-S619 PolarHBondContact O-OG 2.9Å; N615-G672 WeakPolarHBondContact OD1-CA 3.28Å; N615-G673 PolarHBondContact OD1-N 3.19Å; N615-I675 HydrophobicContact CB-CB 4.07Å; N615-I675 HydrophobicContact CB-CG2 3.98Å; N615-E676 PolarHBondContact ND2-OE2 3.19Å |
| 616 | R | 98.8 | Very high | 98.6 | Very high | 126 Ų | 126 | 30.2 Ų | 30.2 | 48% | 0.475 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.8 | -46 | 176.7 | -72.8 | 171 | -179.2 | 174.7 | -0.4 | 111.9 | P612 E613 L614 S619 S620 I734 | P612-R616 WeakPolarHBondContact O-CG 3.43Å; P612-R616 PolarHBondContact O-N 3.42Å; E613-R616 PolarHBondContact O-N 3.05Å; E613-R616 IonicContact OE1-CZ 2.8Å; E613-R616 IonicContact OE1-NH1 2.93Å; E613-R616 PolarHBondContact OE1-NH1 3.24Å; L614-R616 VanDerWaalsContact C-N 3.34Å; L614-R616 PolarHBondContact O-N 3.35Å; R616-S619 PolarHBondContact O-N 3.06Å; R616-S620 PolarHBondContact O-N 3.11Å; R616-I734 HydrophobicContact CB-CG2 4.34Å |
| 617 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 177.1 | 177.6 | 74.7 | 0 | 0 | 0 | 111.5 | V569 T572 R573 L576 E613 L614 S619 S620 I734 A735 I738 | V569-L617 HydrophobicContact CG1-CG 4.22Å; V569-L617 HydrophobicContact CG2-CD1 4.13Å; V569-L617 HydrophobicContact CG2-CG 4.5Å; T572-L617 HydrophobicContact CG2-CD1 4.32Å; T572-L617 HydrophobicContact CG2-CD2 3.56Å; R573-L617 HydrophobicContact CB-CD2 4.44Å; L576-L617 HydrophobicContact CD1-CD2 4.38Å; E613-L617 WeakPolarHBondContact O-CB 3.45Å; E613-L617 PolarHBondContact O-N 2.9Å; L614-L617 PolarHBondContact O-N 3.34Å; L617-S619 VanDerWaalsContact C-N 3.26Å; L617-S619 PolarHBondContact O-N 3.19Å; L617-S620 PolarHBondContact O-N 3.46Å; L617-S620 VanDerWaalsContact O-N 3.16Å; L617-S620 PolarHBondContact O-OG 3.4Å; L617-I734 HydrophobicContact CB-CG2 4.02Å; L617-I734 HydrophobicContact CD1-CG2 4.24Å; L617-A735 HydrophobicContact CD1-CB 4.09Å; L617-I738 HydrophobicContact CB-CD1 3.85Å; L617-I738 HydrophobicContact CD1-CD1 4.31Å; L617-I738 HydrophobicContact CD2-CD1 4.35Å; L617-I738 HydrophobicContact CG-CD1 4.39Å |
| 618 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.3 | -32.1 | 179.6 | -64.7 | 169.1 | 0 | 0 | 0 | 111.6 | V569 R573 L614 S620 F624 Q670 I675 | V569-L618 HydrophobicContact CG1-CD2 4.17Å; R573-L618 HydrophobicContact CB-CD2 4.27Å; R573-L618 HydrophobicContact CG-CD2 3.96Å; L614-L618 HydrophobicContact CD1-CD1 3.86Å; L614-L618 HydrophobicContact CD1-CG 4.09Å; L614-L618 HydrophobicContact CG-CD1 3.88Å; L614-L618 HydrophobicContact CG-CG 4.5Å; L614-L618 VanDerWaalsContact O-CG 3.28Å; L614-L618 WeakPolarHBondContact O-CG 3.34Å; L614-L618 PolarHBondContact O-N 3.11Å; L618-S620 PolarHBondContact O-N 3.1Å; L618-F624 HydrophobicContact CB-CB 4.01Å; L618-F624 HydrophobicContact CD2-CB 3.81Å; L618-F624 HydrophobicContact CD2-CD1 3.62Å; L618-F624 HydrophobicContact CD2-CE1 4.35Å; L618-F624 HydrophobicContact CD2-CG 3.79Å; L618-F624 WeakPolarHBondContact O-CB 3.37Å; L618-Q670 HydrophobicContact CD1-CB 4.23Å; L618-Q670 WeakPolarHBondContact CD1-O 3.34Å; L618-I675 HydrophobicContact CD1-CD1 4.26Å; L618-I675 HydrophobicContact CD1-CG1 3.55Å |
| 619 | S | 98.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 23.1 Ų | 23.1 | 12% | 0.119 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.7 | -13.9 | 175.7 | -59.3 | 0 | 0 | 0 | 0 | 113.6 | N615 R616 L617 G672 P727 Q728 | N615-S619 VanDerWaalsContact O-CB 3.23Å; N615-S619 WeakPolarHBondContact O-CB 3.46Å; N615-S619 PolarHBondContact O-N 3.26Å; N615-S619 PolarHBondContact O-OG 2.9Å; R616-S619 PolarHBondContact O-N 3.06Å; L617-S619 VanDerWaalsContact C-N 3.26Å; L617-S619 PolarHBondContact O-N 3.19Å; S619-G672 WeakPolarHBondContact OG-CA 3.43Å; S619-P727 CarbonylContact O-C 3.59Å; S619-P727 WeakPolarHBondContact O-CA 3.41Å; S619-Q728 PolarHBondContact O-N 2.98Å |
| 620 | S | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 4% | 0.035 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1 | -178.7 | 81 | 0 | 0 | 0 | 0 | 114.2 | R616 L617 L618 P727 Q728 T731 | R616-S620 PolarHBondContact O-N 3.11Å; L617-S620 PolarHBondContact O-N 3.46Å; L617-S620 VanDerWaalsContact O-N 3.16Å; L617-S620 PolarHBondContact O-OG 3.4Å; L618-S620 PolarHBondContact O-N 3.1Å; S620-P727 WeakPolarHBondContact O-CB 3.33Å; S620-Q728 VanDerWaalsContact CA-O 3.26Å; S620-Q728 WeakPolarHBondContact CA-O 3.47Å; S620-Q728 WeakPolarHBondContact CB-O 3.48Å; S620-T731 WeakPolarHBondContact CB-OG1 3.41Å; S620-T731 PolarHBondContact O-OG1 3.1Å; S620-T731 WeakPolarHBondContact OG-CA 3.48Å; S620-T731 PolarHBondContact OG-OG1 3.45Å |
| 621 | N | 98.5 | Very high | 98.6 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -136.8 | 135.6 | 179.7 | -171 | -64.8 | 0 | 0 | 0 | 111.9 | V569 N623 F624 L625 | V569-N621 HydrophobicContact CG2-CB 4.04Å; N621-N623 PolarHBondContact O-N 3.48Å; N621-N623 VanDerWaalsContact O-N 3.09Å; N621-N623 WeakPolarHBondContact OD1-CB 3.44Å; N621-N623 PolarHBondContact OD1-N 2.88Å; N621-N623 VanDerWaalsContact OD1-N 3.09Å; N621-N623 PolarHBondContact OD1-ND2 3.49Å; N621-F624 HydrophobicContact CB-CD2 4.13Å; N621-F624 PolarHBondContact O-N 3.22Å; N621-F624 VanDerWaalsContact O-N 3.17Å; N621-L625 WeakPolarHBondContact O-CG 3.48Å |
| 622 | Q | 97.4 | Very high | 98.6 | Very high | 112 Ų | 112 | 30.7 Ų | 30.7 | 52% | 0.523 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -62.9 | -22.2 | -171.8 | 67.7 | -174.4 | 5.9 | 0 | 0 | 114.2 | F624 P727 | Q622-F624 VanDerWaalsContact C-N 3.27Å; Q622-F624 PolarHBondContact O-N 2.87Å; Q622-P727 HydrophobicContact CB-CG 3.94Å |
| 623 | N | 97.8 | Very high | 98.6 | Very high | 52 Ų | 52 | 28.5 Ų | 28.5 | 28% | 0.278 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -80.3 | -6.8 | -177.2 | -59.1 | -68.7 | 0 | 0 | 0 | 113.1 | Y566 N621 | Y566-N623 HydrophobicContact CD2-CB 3.71Å; Y566-N623 HydrophobicContact CE2-CB 3.78Å; N621-N623 PolarHBondContact O-N 3.48Å; N621-N623 VanDerWaalsContact O-N 3.09Å; N621-N623 WeakPolarHBondContact OD1-CB 3.44Å; N621-N623 PolarHBondContact OD1-N 2.88Å; N621-N623 VanDerWaalsContact OD1-N 3.09Å; N621-N623 PolarHBondContact OD1-ND2 3.49Å |
| 624 | F | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -125.4 | 28.3 | -174.6 | -60.8 | -88.5 | 0 | 0 | 0 | 112.9 | Y566 V569 D570 L618 N621 Q622 W671 G672 | Y566-F624 AromaticContact CD2-CE2 3.63Å; Y566-F624 HydrophobicContact CD2-CE2 3.63Å; Y566-F624 HydrophobicContact CD2-CZ 4.01Å; Y566-F624 AromaticContact CE2-CE2 3.57Å; Y566-F624 HydrophobicContact CE2-CE2 3.57Å; Y566-F624 AromaticContact CE2-CZ 3.51Å; Y566-F624 HydrophobicContact CE2-CZ 3.51Å; Y566-F624 HydrophobicContact CG-CE2 4.4Å; Y566-F624 AromaticContact CZ-CZ 3.79Å; V569-F624 HydrophobicContact CB-CE2 4.15Å; V569-F624 HydrophobicContact CG1-CD2 3.67Å; V569-F624 HydrophobicContact CG1-CE2 3.59Å; V569-F624 HydrophobicContact CG1-CG 4.24Å; V569-F624 HydrophobicContact CG1-CZ 4.11Å; D570-F624 HydrophobicContact CB-CZ 4.07Å; L618-F624 HydrophobicContact CB-CB 4.01Å; L618-F624 HydrophobicContact CD2-CB 3.81Å; L618-F624 HydrophobicContact CD2-CD1 3.62Å; L618-F624 HydrophobicContact CD2-CE1 4.35Å; L618-F624 HydrophobicContact CD2-CG 3.79Å; L618-F624 WeakPolarHBondContact O-CB 3.37Å; N621-F624 HydrophobicContact CB-CD2 4.13Å; N621-F624 PolarHBondContact O-N 3.22Å; N621-F624 VanDerWaalsContact O-N 3.17Å; Q622-F624 VanDerWaalsContact C-N 3.27Å; Q622-F624 PolarHBondContact O-N 2.87Å; F624-W671 CarbonylContact O-C 3.54Å; F624-W671 WeakPolarHBondContact O-CA 3.3Å; F624-W671 WeakPolarHBondContact O-CB 3.35Å; F624-G672 PolarHBondContact O-N 3.45Å |
| 625 | L | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -104.4 | 122.7 | -175.7 | -55.3 | -177.2 | 0 | 0 | 0 | 112.4 | N621 G627 T628 | N621-L625 WeakPolarHBondContact O-CG 3.48Å; L625-G627 PolarHBondContact O-N 3.15Å; L625-T628 PolarHBondContact O-N 3.05Å |
| 626 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.3 | -37.5 | 170.2 | 174.1 | 63.1 | 0 | 0 | 0 | 111.1 | T628 W629 L630 W671 G672 L674 F716 Y723 | L626-T628 VanDerWaalsContact C-N 3.26Å; L626-T628 PolarHBondContact O-N 3.17Å; L626-W629 WeakPolarHBondContact O-CB 3.45Å; L626-W629 PolarHBondContact O-N 2.71Å; L626-L630 HydrophobicContact CD1-CD1 4.01Å; L626-L630 HydrophobicContact CD1-CD2 4.27Å; L626-L630 HydrophobicContact CD1-CG 3.93Å; L626-L630 HydrophobicContact CD2-CD1 4.16Å; L626-L630 HydrophobicContact CG-CD1 3.78Å; L626-L630 HydrophobicContact CG-CG 4.12Å; L626-L630 PolarHBondContact O-N 2.9Å; L626-L630 VanDerWaalsContact O-N 3.1Å; L626-W671 HydrophobicContact CB-CB 4.23Å; L626-W671 HydrophobicContact CB-CE3 4.34Å; L626-W671 HydrophobicContact CD1-CE3 3.92Å; L626-W671 HydrophobicContact CD1-CZ3 4.24Å; L626-G672 WeakPolarHBondContact CB-O 3.43Å; L626-G672 PolarHBondContact N-O 2.78Å; L626-G672 VanDerWaalsContact N-O 3.12Å; L626-L674 HydrophobicContact CB-CB 4.48Å; L626-L674 HydrophobicContact CD2-CB 4.13Å; L626-F716 HydrophobicContact CD2-CE2 3.97Å; L626-F716 HydrophobicContact CD2-CZ 3.78Å; L626-Y723 HydrophobicContact CD2-CD1 4.24Å; L626-Y723 HydrophobicContact CD2-CD2 3.75Å; L626-Y723 HydrophobicContact CD2-CE1 4.13Å; L626-Y723 HydrophobicContact CD2-CE2 3.61Å; L626-Y723 HydrophobicContact CD2-CG 4.05Å; L626-Y723 HydrophobicContact CG-CD2 4.18Å; L626-Y723 HydrophobicContact CG-CE2 4.48Å; L626-Y723 HydrophobicContact CG-CG 4.4Å |
| 627 | G | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.3 | -37.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L625 W629 L630 E631 P724 | L625-G627 PolarHBondContact O-N 3.15Å; G627-W629 VanDerWaalsContact C-N 3.33Å; G627-W629 PolarHBondContact O-N 2.66Å; G627-L630 PolarHBondContact O-N 3.34Å; G627-E631 WeakPolarHBondContact O-CB 3.48Å; G627-E631 PolarHBondContact O-N 3.42Å; G627-P724 WeakPolarHBondContact CA-O 3.19Å |
| 628 | T | 98.4 | Very high | 98.1 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 18% | 0.184 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 112 | L625 L626 R632 | L625-T628 PolarHBondContact O-N 3.05Å; L626-T628 VanDerWaalsContact C-N 3.26Å; L626-T628 PolarHBondContact O-N 3.17Å; T628-R632 WeakPolarHBondContact O-CB 3.5Å; T628-R632 WeakPolarHBondContact O-CD 3.44Å; T628-R632 WeakPolarHBondContact O-CG 3.19Å; T628-R632 PolarHBondContact O-N 2.96Å; T628-R632 VanDerWaalsContact O-N 3.16Å |
| 629 | W | 98.6 | Very high | 98 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -47.9 | 177.3 | 177.5 | -111.7 | 0 | 0 | 0 | 112 | V152 W153 L626 G627 R632 A633 A650 Q653 W671 | V152-W629 HydrophobicContact CG1-CH2 3.55Å; V152-W629 HydrophobicContact CG1-CZ2 4.08Å; V152-W629 HydrophobicContact CG1-CZ3 4.41Å; W153-W629 AromaticContact CD1-CD2 3.77Å; W153-W629 AromaticContact CD1-CE2 3.66Å; W153-W629 AromaticContact CD1-CE3 3.7Å; W153-W629 AromaticContact CD1-CH2 3.45Å; W153-W629 VanDerWaalsContact CD1-CH2 3.45Å; W153-W629 AromaticContact CD1-CZ2 3.5Å; W153-W629 AromaticContact CD1-CZ3 3.54Å; W153-W629 AromaticContact NE1-CE2 3.45Å; W153-W629 AromaticContact NE1-CH2 3.59Å; W153-W629 AromaticContact NE1-CZ2 3.2Å; L626-W629 WeakPolarHBondContact O-CB 3.45Å; L626-W629 PolarHBondContact O-N 2.71Å; G627-W629 VanDerWaalsContact C-N 3.33Å; G627-W629 PolarHBondContact O-N 2.66Å; W629-R632 PolarHBondContact O-N 3.27Å; W629-A633 PolarHBondContact O-N 3.28Å; W629-A633 VanDerWaalsContact O-N 3.13Å; W629-A650 PolarHBondContact NE1-O 3.45Å; W629-Q653 VanDerWaalsContact CZ2-OE1 3.32Å; W629-W671 HydrophobicContact CB-CE3 4.44Å; W629-W671 HydrophobicContact CB-CH2 3.91Å; W629-W671 HydrophobicContact CB-CZ3 3.67Å; W629-W671 AromaticContact CD1-CZ3 3.81Å; W629-W671 AromaticContact CD2-CH2 3.98Å; W629-W671 HydrophobicContact CD2-CH2 3.98Å; W629-W671 HydrophobicContact CD2-CZ3 4.26Å; W629-W671 HydrophobicContact CE3-CH2 4.3Å; W629-W671 AromaticContact CG-CH2 3.81Å; W629-W671 HydrophobicContact CG-CH2 3.81Å; W629-W671 AromaticContact CG-CZ3 3.65Å; W629-W671 HydrophobicContact CG-CZ3 3.65Å |
| 630 | L | 98.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.9 | -40.3 | -178.1 | -59.9 | 179.1 | 0 | 0 | 0 | 112.5 | L626 G627 R632 A633 Q634 A650 R651 Y723 | L626-L630 HydrophobicContact CD1-CD1 4.01Å; L626-L630 HydrophobicContact CD1-CD2 4.27Å; L626-L630 HydrophobicContact CD1-CG 3.93Å; L626-L630 HydrophobicContact CD2-CD1 4.16Å; L626-L630 HydrophobicContact CG-CD1 3.78Å; L626-L630 HydrophobicContact CG-CG 4.12Å; L626-L630 PolarHBondContact O-N 2.9Å; L626-L630 VanDerWaalsContact O-N 3.1Å; G627-L630 PolarHBondContact O-N 3.34Å; L630-R632 VanDerWaalsContact C-N 3.34Å; L630-R632 PolarHBondContact O-N 3.3Å; L630-A633 WeakPolarHBondContact O-CB 3.28Å; L630-A633 PolarHBondContact O-N 3.49Å; L630-Q634 WeakPolarHBondContact O-CG 3.48Å; L630-Q634 PolarHBondContact O-N 3.02Å; L630-A650 HydrophobicContact CD2-CB 3.72Å; L630-R651 HydrophobicContact CD2-CG 3.7Å; L630-Y723 HydrophobicContact CD1-CD2 3.69Å; L630-Y723 HydrophobicContact CD1-CE2 4.05Å |
| 631 | E | 98.3 | Very high | 97.8 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 175.7 | -177.3 | 65.4 | -161.2 | 0 | 0 | 111 | G627 A633 Q634 S635 T725 | G627-E631 WeakPolarHBondContact O-CB 3.48Å; G627-E631 PolarHBondContact O-N 3.42Å; E631-A633 VanDerWaalsContact C-N 3.3Å; E631-A633 PolarHBondContact O-N 3.21Å; E631-Q634 PolarHBondContact O-N 3.42Å; E631-S635 VanDerWaalsContact O-CB 3.24Å; E631-S635 WeakPolarHBondContact O-CB 3.47Å; E631-S635 PolarHBondContact O-N 3Å; E631-S635 PolarHBondContact O-OG 3.35Å; E631-T725 HydrophobicContact CB-CG2 3.61Å; E631-T725 HydrophobicContact CG-CG2 3.94Å |
| 632 | R | 98.2 | Very high | 97.8 | Very high | 85 Ų | 85 | 56.5 Ų | 56.5 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59 | -43.2 | 174.7 | -76.4 | 174.1 | -177.9 | 175.6 | 4.7 | 111.1 | W153 T628 W629 L630 S635 K636 | W153-R632 HydrophobicContact CB-CB 3.7Å; T628-R632 WeakPolarHBondContact O-CB 3.5Å; T628-R632 WeakPolarHBondContact O-CD 3.44Å; T628-R632 WeakPolarHBondContact O-CG 3.19Å; T628-R632 PolarHBondContact O-N 2.96Å; T628-R632 VanDerWaalsContact O-N 3.16Å; W629-R632 PolarHBondContact O-N 3.27Å; L630-R632 VanDerWaalsContact C-N 3.34Å; L630-R632 PolarHBondContact O-N 3.3Å; R632-S635 PolarHBondContact O-OG 3.28Å; R632-K636 WeakPolarHBondContact O-CG 3.22Å |
| 633 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -53 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W153 W629 L630 E631 S635 K636 Y646 A650 | W153-A633 HydrophobicContact CD2-CB 3.55Å; W153-A633 VanDerWaalsContact CE2-CB 3.48Å; W153-A633 HydrophobicContact CE3-CB 4.02Å; W153-A633 HydrophobicContact CG-CB 3.87Å; W153-A633 HydrophobicContact CH2-CB 4.3Å; W153-A633 HydrophobicContact CZ2-CB 3.89Å; W153-A633 HydrophobicContact CZ3-CB 4.36Å; W629-A633 PolarHBondContact O-N 3.28Å; W629-A633 VanDerWaalsContact O-N 3.13Å; L630-A633 WeakPolarHBondContact O-CB 3.28Å; L630-A633 PolarHBondContact O-N 3.49Å; E631-A633 VanDerWaalsContact C-N 3.3Å; E631-A633 PolarHBondContact O-N 3.21Å; A633-S635 VanDerWaalsContact C-N 3.32Å; A633-S635 PolarHBondContact O-N 3Å; A633-K636 WeakPolarHBondContact O-CB 3.41Å; A633-K636 PolarHBondContact O-N 3.08Å; A633-Y646 WeakPolarHBondContact O-CD2 3.4Å; A633-A650 HydrophobicContact CB-CB 3.77Å |
| 634 | Q | 97.7 | Very high | 97.9 | Very high | 55 Ų | 55 | 55 Ų | 55 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | -178.3 | -67.4 | 179.6 | 2.2 | 0 | 0 | 112.5 | L630 E631 K636 A637 A643 D647 | L630-Q634 WeakPolarHBondContact O-CG 3.48Å; L630-Q634 PolarHBondContact O-N 3.02Å; E631-Q634 PolarHBondContact O-N 3.42Å; Q634-K636 PolarHBondContact O-N 3.13Å; Q634-K636 VanDerWaalsContact O-N 3.09Å; Q634-A637 VanDerWaalsContact O-CB 3.23Å; Q634-A637 WeakPolarHBondContact O-CB 3.44Å; Q634-A637 PolarHBondContact O-N 2.9Å; Q634-A643 HydrophobicContact CB-CB 4.42Å; Q634-A643 HydrophobicContact CG-CB 4.43Å; Q634-D647 HydrophobicContact CG-CB 4.26Å; Q634-D647 PolarHBondContact NE2-OD1 3.32Å |
| 635 | S | 96.9 | Very high | 97.9 | Very high | 78 Ų | 78 | 56.6 Ų | 56.6 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -13.7 | 178.2 | 73.2 | 0 | 0 | 0 | 0 | 114.5 | E631 R632 A633 | E631-S635 VanDerWaalsContact O-CB 3.24Å; E631-S635 WeakPolarHBondContact O-CB 3.47Å; E631-S635 PolarHBondContact O-N 3Å; E631-S635 PolarHBondContact O-OG 3.35Å; R632-S635 PolarHBondContact O-OG 3.28Å; A633-S635 VanDerWaalsContact C-N 3.32Å; A633-S635 PolarHBondContact O-N 3Å |
| 636 | K | 95.7 | Very high | 97.8 | Very high | 37 Ų | 37 | 56.2 Ų | 56.2 | 16% | 0.161 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.6 | 174 | -60.3 | -61.5 | 176 | 179.4 | 0 | 113.5 | W153 W154 R632 A633 Q634 Y646 | W153-K636 VanDerWaalsContact C-CE 3.48Å; W153-K636 HydrophobicContact CE3-CG 4.29Å; W153-K636 WeakPolarHBondContact O-CE 3.39Å; W154-K636 WeakPolarHBondContact O-CE 3.45Å; W154-K636 PolarHBondContact O-NZ 3.3Å; R632-K636 WeakPolarHBondContact O-CG 3.22Å; A633-K636 WeakPolarHBondContact O-CB 3.41Å; A633-K636 PolarHBondContact O-N 3.08Å; Q634-K636 PolarHBondContact O-N 3.13Å; Q634-K636 VanDerWaalsContact O-N 3.09Å; K636-Y646 HydrophobicContact CB-CD2 4.03Å; K636-Y646 HydrophobicContact CB-CE2 3.84Å |
| 637 | A | 96.9 | Very high | 97.8 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -77.4 | 143.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q634 E642 A643 Y646 | Q634-A637 VanDerWaalsContact O-CB 3.23Å; Q634-A637 WeakPolarHBondContact O-CB 3.44Å; Q634-A637 PolarHBondContact O-N 2.9Å; A637-E642 HydrophobicContact CB-CB 3.58Å; A637-A643 VanDerWaalsContact CB-CA 3.48Å; A637-A643 HydrophobicContact CB-CB 3.72Å; A637-Y646 HydrophobicContact CB-CD2 4Å; A637-Y646 HydrophobicContact CB-CE2 4.16Å | ||
| 638 | L | 96.7 | Very high | 97.8 | Very high | 125 Ų | 125 | 58.1 Ų | 58.1 | 65% | 0.654 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -84.4 | -20.6 | 170.9 | -66.7 | -174.1 | 0 | 0 | 0 | 113.4 | E642 | L638-E642 PolarHBondContact N-OE2 3.38Š|
| 639 | N | 97.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 43% | 0.433 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -153.4 | 172.3 | -175 | 59.4 | 66.7 | 0 | 0 | 0 | 110.9 | R641 E642 A643 | N639-R641 VanDerWaalsContact C-N 3.31Å; N639-R641 PolarHBondContact O-N 2.98Å; N639-R641 WeakPolarHBondContact OD1-CB 3.42Å; N639-R641 PolarHBondContact OD1-N 3.23Å; N639-R641 VanDerWaalsContact OD1-N 3.13Å; N639-E642 PolarHBondContact ND2-OE1 3.27Å; N639-E642 PolarHBondContact O-N 3.39Å; N639-E642 PolarHBondContact OD1-N 2.92Å; N639-A643 PolarHBondContact O-N 2.94Å |
| 640 | E | 96.8 | Very high | 97.9 | Very high | 146 Ų | 146 | 55.8 Ų | 55.8 | 68% | 0.682 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.5 | -35.9 | -176 | -171.3 | 176.5 | -179.2 | 0 | 0 | 113.4 | A643 Q644 | E640-A643 PolarHBondContact O-N 3.33Å; E640-Q644 VanDerWaalsContact O-CG 3.32Å; E640-Q644 WeakPolarHBondContact O-CG 3.23Å; E640-Q644 PolarHBondContact O-N 3.43Å; E640-Q644 PolarHBondContact OE1-NE2 3.35Å |
| 641 | R | 97.3 | Very high | 97.9 | Very high | 201 Ų | 201 | 55.5 Ų | 55.5 | 76% | 0.758 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.3 | -43.7 | 178.7 | -176.6 | 179.8 | 178.6 | -174.6 | -2.1 | 111.4 | N639 A643 Q644 L645 | N639-R641 VanDerWaalsContact C-N 3.31Å; N639-R641 PolarHBondContact O-N 2.98Å; N639-R641 WeakPolarHBondContact OD1-CB 3.42Å; N639-R641 PolarHBondContact OD1-N 3.23Å; N639-R641 VanDerWaalsContact OD1-N 3.13Å; R641-A643 VanDerWaalsContact C-N 3.33Å; R641-Q644 PolarHBondContact O-N 3.02Å; R641-L645 PolarHBondContact O-N 3.46Å |
| 642 | E | 98.2 | Very high | 97.9 | Very high | 24 Ų | 24 | 50.7 Ų | 50.7 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 173.2 | -73.7 | -179.8 | -155.4 | 0 | 0 | 111.5 | P224 S226 A637 L638 N639 Q644 L645 Y646 | P224-E642 HydrophobicContact CB-CG 3.94Å; P224-E642 HydrophobicContact CG-CG 3.99Å; S226-E642 PolarHBondContact OG-OE1 2.93Å; S226-E642 PolarHBondContact OG-OE2 2.83Å; A637-E642 HydrophobicContact CB-CB 3.58Å; L638-E642 PolarHBondContact N-OE2 3.38Å; N639-E642 PolarHBondContact ND2-OE1 3.27Å; N639-E642 PolarHBondContact O-N 3.39Å; N639-E642 PolarHBondContact OD1-N 2.92Å; E642-Q644 PolarHBondContact O-N 3.09Å; E642-L645 WeakPolarHBondContact O-CB 3.11Å; E642-L645 PolarHBondContact O-N 3Å; E642-Y646 HydrophobicContact CB-CE2 4.44Å; E642-Y646 VanDerWaalsContact O-CG 3.27Å; E642-Y646 PolarHBondContact O-N 2.95Å |
| 643 | A | 98.1 | Very high | 97.9 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q634 A637 N639 E640 R641 Y646 D647 | Q634-A643 HydrophobicContact CB-CB 4.42Å; Q634-A643 HydrophobicContact CG-CB 4.43Å; A637-A643 VanDerWaalsContact CB-CA 3.48Å; A637-A643 HydrophobicContact CB-CB 3.72Å; N639-A643 PolarHBondContact O-N 2.94Å; E640-A643 PolarHBondContact O-N 3.33Å; R641-A643 VanDerWaalsContact C-N 3.33Å; A643-Y646 PolarHBondContact O-N 3.26Å; A643-D647 VanDerWaalsContact O-CB 3.31Å; A643-D647 WeakPolarHBondContact O-CB 3.46Å; A643-D647 PolarHBondContact O-N 3.29Å |
| 644 | Q | 98.1 | Very high | 97.9 | Very high | 112 Ų | 112 | 46.7 Ų | 46.7 | 52% | 0.523 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 174.6 | -70.7 | 171.6 | 3.8 | 0 | 0 | 112 | E640 R641 E642 D647 M648 | E640-Q644 VanDerWaalsContact O-CG 3.32Å; E640-Q644 WeakPolarHBondContact O-CG 3.23Å; E640-Q644 PolarHBondContact O-N 3.43Å; E640-Q644 PolarHBondContact OE1-NE2 3.35Å; R641-Q644 PolarHBondContact O-N 3.02Å; E642-Q644 PolarHBondContact O-N 3.09Å; Q644-D647 PolarHBondContact O-N 2.91Å; Q644-M648 WeakPolarHBondContact O-CB 3.45Å; Q644-M648 PolarHBondContact O-N 3.1Å |
| 645 | L | 98.4 | Very high | 98 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 17% | 0.173 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 175.4 | -178.8 | 66.4 | 0 | 0 | 0 | 111.4 | G220 P222 R641 E642 M648 N649 | G220-L645 WeakPolarHBondContact O-CD1 3.34Å; P222-L645 WeakPolarHBondContact O-CD2 3.4Å; R641-L645 PolarHBondContact O-N 3.46Å; E642-L645 WeakPolarHBondContact O-CB 3.11Å; E642-L645 PolarHBondContact O-N 3Å; L645-M648 HydrophobicContact CD1-CE 4Å; L645-M648 PolarHBondContact O-N 3.15Å; L645-N649 PolarHBondContact O-N 3.29Å; L645-N649 PolarHBondContact O-ND2 3.24Å |
| 646 | Y | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71 | -35.1 | -179.3 | -63.1 | -17.3 | 0 | 0 | 0 | 112.5 | W153 P205 P224 A633 K636 A637 E642 A643 N649 A650 | W153-Y646 HydrophobicContact CH2-CD1 4.07Å; W153-Y646 HydrophobicContact CH2-CG 4.07Å; W153-Y646 HydrophobicContact CZ3-CD1 4.06Å; W153-Y646 HydrophobicContact CZ3-CD2 4.32Å; W153-Y646 AromaticContact CZ3-CG 3.9Å; W153-Y646 HydrophobicContact CZ3-CG 3.9Å; P205-Y646 HydrophobicContact CG-CD1 3.92Å; P205-Y646 HydrophobicContact CG-CE1 3.58Å; P224-Y646 HydrophobicContact CG-CE1 4.17Å; P224-Y646 WeakPolarHBondContact CG-OH 3.45Å; A633-Y646 WeakPolarHBondContact O-CD2 3.4Å; K636-Y646 HydrophobicContact CB-CD2 4.03Å; K636-Y646 HydrophobicContact CB-CE2 3.84Å; A637-Y646 HydrophobicContact CB-CD2 4Å; A637-Y646 HydrophobicContact CB-CE2 4.16Å; E642-Y646 HydrophobicContact CB-CE2 4.44Å; E642-Y646 VanDerWaalsContact O-CG 3.27Å; E642-Y646 PolarHBondContact O-N 2.95Å; A643-Y646 PolarHBondContact O-N 3.26Å; Y646-N649 PolarHBondContact O-N 3.36Å; Y646-A650 WeakPolarHBondContact O-CB 3.36Å; Y646-A650 PolarHBondContact O-N 3.47Å |
| 647 | D | 98.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.064 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 171.8 | -172.7 | 77.1 | 0 | 0 | 0 | 111.4 | Q634 A643 Q644 N649 A650 R651 | Q634-D647 HydrophobicContact CG-CB 4.26Å; Q634-D647 PolarHBondContact NE2-OD1 3.32Å; A643-D647 VanDerWaalsContact O-CB 3.31Å; A643-D647 WeakPolarHBondContact O-CB 3.46Å; A643-D647 PolarHBondContact O-N 3.29Å; Q644-D647 PolarHBondContact O-N 2.91Å; D647-N649 PolarHBondContact O-N 3.04Å; D647-A650 PolarHBondContact O-N 2.76Å; D647-R651 VanDerWaalsContact CG-NE 3.33Å; D647-R651 WeakPolarHBondContact O-CG 3.31Å; D647-R651 PolarHBondContact O-N 3.38Å; D647-R651 IonicContact OD1-CZ 3.18Å; D647-R651 IonicContact OD1-NE 3.95Å; D647-R651 PolarHBondContact OD1-NE 2.9Å; D647-R651 IonicContact OD1-NH2 3.1Å; D647-R651 PolarHBondContact OD1-NH2 3.15Å; D647-R651 IonicContact OD2-CZ 3.2Å; D647-R651 IonicContact OD2-NE 2.87Å; D647-R651 PolarHBondContact OD2-NE 3.11Å; D647-R651 IonicContact OD2-NH2 2.64Å |
| 648 | M | 98.5 | Very high | 98.3 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 15% | 0.148 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 175.2 | -179.1 | -82.8 | -66.7 | 0 | 0 | 111.7 | Q644 L645 A650 R651 N652 I717 Y718 | Q644-M648 WeakPolarHBondContact O-CB 3.45Å; Q644-M648 PolarHBondContact O-N 3.1Å; L645-M648 HydrophobicContact CD1-CE 4Å; L645-M648 PolarHBondContact O-N 3.15Å; M648-A650 VanDerWaalsContact C-N 3.34Å; M648-A650 PolarHBondContact O-N 2.96Å; M648-R651 PolarHBondContact O-N 3.04Å; M648-N652 WeakPolarHBondContact O-CB 3.41Å; M648-N652 PolarHBondContact O-N 2.86Å; M648-N652 HydrophobicContact SD-CB 4.33Å; M648-I717 HydrophobicContact CG-CG2 3.85Å; M648-Y718 HydrophobicContact CG-CE1 3.73Å |
| 649 | N | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.1 | -48.4 | 176.1 | -89.6 | -102.2 | 0 | 0 | 0 | 111.3 | W153 G204 A206 G220 L645 Y646 D647 R651 Q653 | W153-N649 HydrophobicContact CH2-CB 4.16Å; W153-N649 HydrophobicContact CZ2-CB 4.11Å; G204-N649 WeakPolarHBondContact CA-OD1 3.26Å; A206-N649 HydrophobicContact CB-CB 3.83Å; A206-N649 PolarHBondContact N-OD1 2.95Å; G220-N649 PolarHBondContact O-ND2 3.18Å; L645-N649 PolarHBondContact O-N 3.29Å; L645-N649 PolarHBondContact O-ND2 3.24Å; Y646-N649 PolarHBondContact O-N 3.36Å; D647-N649 PolarHBondContact O-N 3.04Å; N649-R651 PolarHBondContact O-N 3.3Å; N649-Q653 WeakPolarHBondContact O-CB 3.48Å; N649-Q653 PolarHBondContact O-N 3.12Å |
| 650 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | W153 W629 L630 A633 Y646 D647 M648 | W153-A650 HydrophobicContact CZ2-CB 4.1Å; W629-A650 PolarHBondContact NE1-O 3.45Å; L630-A650 HydrophobicContact CD2-CB 3.72Å; A633-A650 HydrophobicContact CB-CB 3.77Å; Y646-A650 WeakPolarHBondContact O-CB 3.36Å; Y646-A650 PolarHBondContact O-N 3.47Å; D647-A650 PolarHBondContact O-N 2.76Å; M648-A650 VanDerWaalsContact C-N 3.34Å; M648-A650 PolarHBondContact O-N 2.96Å |
| 651 | R | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -75 | -46.1 | 175.9 | -67.9 | 170.4 | -172.9 | -94.5 | -3.2 | 112.3 | L630 D647 M648 N649 Q653 V654 T655 F716 I717 N719 R721 | L630-R651 HydrophobicContact CD2-CG 3.7Å; D647-R651 VanDerWaalsContact CG-NE 3.33Å; D647-R651 WeakPolarHBondContact O-CG 3.31Å; D647-R651 PolarHBondContact O-N 3.38Å; D647-R651 IonicContact OD1-CZ 3.18Å; D647-R651 IonicContact OD1-NE 3.95Å; D647-R651 PolarHBondContact OD1-NE 2.9Å; D647-R651 IonicContact OD1-NH2 3.1Å; D647-R651 PolarHBondContact OD1-NH2 3.15Å; D647-R651 IonicContact OD2-CZ 3.2Å; D647-R651 IonicContact OD2-NE 2.87Å; D647-R651 PolarHBondContact OD2-NE 3.11Å; D647-R651 IonicContact OD2-NH2 2.64Å; M648-R651 PolarHBondContact O-N 3.04Å; N649-R651 PolarHBondContact O-N 3.3Å; R651-Q653 PolarHBondContact O-N 3.13Å; R651-V654 WeakPolarHBondContact O-CG2 3.31Å; R651-V654 PolarHBondContact O-N 2.94Å; R651-T655 PolarHBondContact O-N 2.74Å; R651-T655 PolarHBondContact O-OG1 3.24Å; R651-F716 HydrophobicContact CB-CE1 4Å; R651-F716 HydrophobicContact CG-CE1 4.15Å; R651-F716 HydrophobicContact CG-CZ 4.37Å; R651-F716 PolarHBondContact NH1-O 3.27Å; R651-I717 HydrophobicContact CB-CD1 3.89Å; R651-I717 WeakPolarHBondContact CD-O 3.24Å; R651-N719 PolarHBondContact NH1-OD1 2.88Å; R651-R721 PolarHBondContact NH2-O 3.12Å |
| 652 | N | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | -175.1 | -174.3 | -76.3 | 0 | 0 | 0 | 110.6 | F207 F219 M648 V654 T655 L656 W657 G658 I717 | F207-N652 HydrophobicContact CZ-CB 4.37Å; F219-N652 WeakPolarHBondContact CE1-OD1 3.02Å; M648-N652 WeakPolarHBondContact O-CB 3.41Å; M648-N652 PolarHBondContact O-N 2.86Å; M648-N652 HydrophobicContact SD-CB 4.33Å; N652-V654 VanDerWaalsContact C-N 3.29Å; N652-V654 PolarHBondContact O-N 3.27Å; N652-T655 CarbonylContact O-C 3.57Å; N652-T655 PolarHBondContact O-N 3.31Å; N652-T655 PolarHBondContact O-OG1 3.36Å; N652-L656 PolarHBondContact O-N 3Å; N652-W657 WeakPolarHBondContact O-CA 3.2Å; N652-W657 PolarHBondContact O-N 3.42Å; N652-W657 WeakPolarHBondContact OD1-CA 3.36Å; N652-W657 PolarHBondContact OD1-N 3.01Å; N652-W657 PolarHBondContact OD1-O 3.19Å; N652-G658 PolarHBondContact ND2-O 3.47Å; N652-G658 PolarHBondContact OD1-N 3.39Å; N652-I717 HydrophobicContact CB-CD1 4.14Å; N652-I717 HydrophobicContact CB-CG2 4.41Å |
| 653 | Q | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54 | -44 | 179.5 | -172.5 | -163.2 | 68.2 | 0 | 0 | 112.6 | S148 Y149 A206 F207 W629 N649 R651 T655 A667 | S148-Q653 PolarHBondContact O-NE2 2.98Å; Y149-Q653 HydrophobicContact CD1-CG 3.97Å; Y149-Q653 HydrophobicContact CE1-CG 3.9Å; A206-Q653 HydrophobicContact CB-CB 4.03Å; A206-Q653 HydrophobicContact CB-CG 4.31Å; A206-Q653 PolarHBondContact O-NE2 3.38Å; F207-Q653 HydrophobicContact CE1-CB 4.28Å; F207-Q653 HydrophobicContact CZ-CB 4.21Å; W629-Q653 VanDerWaalsContact CZ2-OE1 3.32Å; N649-Q653 WeakPolarHBondContact O-CB 3.48Å; N649-Q653 PolarHBondContact O-N 3.12Å; R651-Q653 PolarHBondContact O-N 3.13Å; Q653-T655 VanDerWaalsContact C-N 3.27Å; Q653-T655 PolarHBondContact O-N 3.41Å; Q653-A667 WeakPolarHBondContact O-CB 3.5Å |
| 654 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 6.2 | -176.6 | -56.5 | 0 | 0 | 0 | 0 | 114 | R651 N652 A667 K669 W671 L674 | R651-V654 WeakPolarHBondContact O-CG2 3.31Å; R651-V654 PolarHBondContact O-N 2.94Å; N652-V654 VanDerWaalsContact C-N 3.29Å; N652-V654 PolarHBondContact O-N 3.27Å; V654-A667 WeakPolarHBondContact CA-O 3.25Å; V654-K669 HydrophobicContact CB-CG 4.24Å; V654-K669 HydrophobicContact CG1-CG 4.07Å; V654-W671 HydrophobicContact CG1-CZ3 4.28Å; V654-L674 HydrophobicContact CG2-CD2 4.44Å |
| 655 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.4 | -94.4 | -178.1 | 55.1 | 0 | 0 | 0 | 0 | 112 | R651 N652 Q653 W657 D665 L674 Y678 F716 I717 | R651-T655 PolarHBondContact O-N 2.74Å; R651-T655 PolarHBondContact O-OG1 3.24Å; N652-T655 CarbonylContact O-C 3.57Å; N652-T655 PolarHBondContact O-N 3.31Å; N652-T655 PolarHBondContact O-OG1 3.36Å; Q653-T655 VanDerWaalsContact C-N 3.27Å; Q653-T655 PolarHBondContact O-N 3.41Å; T655-W657 VanDerWaalsContact C-N 3.34Å; T655-W657 PolarHBondContact O-N 3.21Å; T655-D665 PolarHBondContact O-N 2.97Å; T655-L674 HydrophobicContact CG2-CD1 3.96Å; T655-Y678 HydrophobicContact CG2-CD1 3.91Å; T655-Y678 HydrophobicContact CG2-CD2 3.76Å; T655-Y678 HydrophobicContact CG2-CE1 3.75Å; T655-Y678 HydrophobicContact CG2-CE2 3.58Å; T655-Y678 HydrophobicContact CG2-CG 3.91Å; T655-F716 HydrophobicContact CG2-CD1 3.9Å; T655-F716 HydrophobicContact CG2-CE1 3.73Å; T655-I717 WeakPolarHBondContact OG1-CD1 3.42Å |
| 656 | L | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.016 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -28.7 | -173.9 | -67.2 | -177.2 | 0 | 0 | 0 | 113.7 | N652 G658 G661 L664 F710 E713 I717 | N652-L656 PolarHBondContact O-N 3Å; L656-G658 WeakPolarHBondContact CB-O 3.36Å; L656-G658 PolarHBondContact O-N 3.26Å; L656-G661 CarbonylContact O-C 3.36Å; L656-G661 VanDerWaalsContact O-CA 3.23Å; L656-G661 WeakPolarHBondContact O-CA 3.4Å; L656-L664 HydrophobicContact CD2-CD1 3.6Å; L656-F710 HydrophobicContact CD1-CE2 4.04Å; L656-F710 HydrophobicContact CD2-CD2 4.24Å; L656-F710 HydrophobicContact CD2-CE2 4.08Å; L656-E713 HydrophobicContact CD2-CB 3.7Å; L656-E713 HydrophobicContact CG-CB 4.42Å; L656-I717 HydrophobicContact CD1-CG1 3.95Å; L656-I717 HydrophobicContact CG-CG1 4.45Å |
| 657 | W | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 63.9 | -19.8 | -178.2 | -152.6 | 96.6 | 0 | 0 | 0 | 115.7 | Y149 F207 W210 M216 W277 F280 N652 T655 I663 | Y149-W657 AromaticContact CE1-NE1 3.82Å; Y149-W657 AromaticContact CZ-NE1 3.76Å; Y149-W657 PolarHBondContact OH-NE1 2.84Å; F207-W657 VanDerWaalsContact CE1-O 3.31Å; F207-W657 WeakPolarHBondContact CE1-O 3.32Å; W210-W657 HydrophobicContact CB-CH2 4.37Å; W210-W657 AromaticContact CD2-CH2 3.56Å; W210-W657 HydrophobicContact CD2-CH2 3.56Å; W210-W657 AromaticContact CD2-CZ2 3.31Å; W210-W657 HydrophobicContact CD2-CZ2 3.31Å; W210-W657 AromaticContact CE2-CZ2 3.4Å; W210-W657 AromaticContact CE3-CH2 3.79Å; W210-W657 HydrophobicContact CE3-CH2 3.79Å; W210-W657 AromaticContact CE3-CZ2 3.45Å; W210-W657 HydrophobicContact CE3-CZ2 3.45Å; W210-W657 VanDerWaalsContact CE3-CZ2 3.45Å; W210-W657 AromaticContact CG-CH2 3.75Å; W210-W657 HydrophobicContact CG-CH2 3.75Å; W210-W657 AromaticContact CG-CZ2 3.94Å; W210-W657 HydrophobicContact CG-CZ2 3.94Å; W210-W657 AromaticContact CH2-CZ2 3.9Å; W210-W657 HydrophobicContact CH2-CZ2 3.9Å; W210-W657 AromaticContact CZ2-CZ2 3.73Å; W210-W657 HydrophobicContact CZ2-CZ2 3.73Å; W210-W657 HydrophobicContact CZ3-CH2 4.46Å; W210-W657 AromaticContact CZ3-CZ2 3.73Å; W210-W657 HydrophobicContact CZ3-CZ2 3.73Å; W210-W657 AromaticContact NE1-CZ2 3.85Å; M216-W657 HydrophobicContact SD-CH2 3.81Å; M216-W657 HydrophobicContact SD-CZ3 3.97Å; W277-W657 AromaticContact CH2-CH2 3.16Å; W277-W657 HydrophobicContact CH2-CH2 3.16Å; W277-W657 AromaticContact CH2-CZ2 3.84Å; W277-W657 HydrophobicContact CH2-CZ2 3.84Å; W277-W657 AromaticContact CH2-CZ3 3.67Å; W277-W657 HydrophobicContact CH2-CZ3 3.67Å; W277-W657 HydrophobicContact CZ2-CH2 4.47Å; W277-W657 HydrophobicContact CZ3-CE3 4.49Å; W277-W657 AromaticContact CZ3-CH2 3.26Å; W277-W657 HydrophobicContact CZ3-CH2 3.26Å; W277-W657 HydrophobicContact CZ3-CZ2 4.34Å; W277-W657 AromaticContact CZ3-CZ3 3.36Å; W277-W657 HydrophobicContact CZ3-CZ3 3.36Å; F280-W657 HydrophobicContact CD2-CZ3 4.39Å; F280-W657 AromaticContact CE2-CE3 3.54Å; F280-W657 HydrophobicContact CE2-CE3 3.54Å; F280-W657 AromaticContact CE2-CZ3 3.29Å; F280-W657 HydrophobicContact CE2-CZ3 3.29Å; F280-W657 AromaticContact CZ-CE3 3.58Å; F280-W657 HydrophobicContact CZ-CE3 3.58Å; F280-W657 AromaticContact CZ-CZ3 3.49Å; F280-W657 HydrophobicContact CZ-CZ3 3.49Å; F280-W657 VanDerWaalsContact CZ-CZ3 3.49Å; N652-W657 WeakPolarHBondContact O-CA 3.2Å; N652-W657 PolarHBondContact O-N 3.42Å; N652-W657 WeakPolarHBondContact OD1-CA 3.36Å; N652-W657 PolarHBondContact OD1-N 3.01Å; N652-W657 PolarHBondContact OD1-O 3.19Å; T655-W657 VanDerWaalsContact C-N 3.34Å; T655-W657 PolarHBondContact O-N 3.21Å; W657-I663 HydrophobicContact CB-CB 3.98Å; W657-I663 WeakPolarHBondContact CB-O 3.45Å; W657-I663 HydrophobicContact CD2-CB 3.87Å; W657-I663 HydrophobicContact CD2-CD1 3.65Å; W657-I663 HydrophobicContact CD2-CG1 3.85Å; W657-I663 HydrophobicContact CE3-CB 3.94Å; W657-I663 HydrophobicContact CE3-CD1 3.24Å; W657-I663 HydrophobicContact CE3-CG1 3.41Å; W657-I663 VanDerWaalsContact CE3-CG1 3.41Å; W657-I663 HydrophobicContact CG-CB 3.93Å; W657-I663 HydrophobicContact CG-CG1 4.42Å; W657-I663 HydrophobicContact CH2-CD1 3.69Å; W657-I663 HydrophobicContact CZ2-CD1 3.93Å; W657-I663 HydrophobicContact CZ3-CD1 3.35Å; W657-I663 HydrophobicContact CZ3-CG1 3.98Å |
| 658 | G | 97.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -144.9 | -174.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F219 N652 L656 S660 E662 | F219-G658 VanDerWaalsContact CZ-C 3.45Å; N652-G658 PolarHBondContact ND2-O 3.47Å; N652-G658 PolarHBondContact OD1-N 3.39Å; L656-G658 WeakPolarHBondContact CB-O 3.36Å; L656-G658 PolarHBondContact O-N 3.26Å; G658-S660 VanDerWaalsContact C-N 3.29Å; G658-S660 PolarHBondContact O-N 2.99Å; G658-E662 WeakPolarHBondContact CA-OE2 3.33Å |
| 659 | P | 96.6 | Very high | 98.3 | Very high | 40 Ų | 40 | 13.5 Ų | 13.5 | 26% | 0.26 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.1 | -177.4 | 26 | -32.8 | 0 | 0 | 0 | 114 | F219 F284 E662 | F219-P659 HydrophobicContact CD2-CB 4.47Å; F219-P659 HydrophobicContact CD2-CG 4.27Å; F219-P659 HydrophobicContact CE2-CB 3.9Å; F219-P659 VanDerWaalsContact CE2-CD 3.43Å; F219-P659 HydrophobicContact CE2-CG 4.08Å; F284-P659 HydrophobicContact CD2-CG 4.18Å; F284-P659 HydrophobicContact CE2-CG 3.79Å; P659-E662 VanDerWaalsContact CD-CD 3.47Å; P659-E662 WeakPolarHBondContact CD-OE1 3.29Å; P659-E662 WeakPolarHBondContact CD-OE2 3.15Å; P659-E662 WeakPolarHBondContact CG-OE1 3.48Å |
| 660 | S | 96.2 | Very high | 98.2 | Very high | 81 Ų | 81 | 13.5 Ų | 13.5 | 57% | 0.566 | 8% | 0.08 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | 14.6 | -175.4 | -46.9 | 0 | 0 | 0 | 0 | 113.6 | G658 E662 | G658-S660 VanDerWaalsContact C-N 3.29Å; G658-S660 PolarHBondContact O-N 2.99Å; S660-E662 VanDerWaalsContact CB-OE1 3.32Å; S660-E662 WeakPolarHBondContact CB-OE1 3.2Å; S660-E662 PolarHBondContact N-OE1 3.4Å; S660-E662 PolarHBondContact N-OE2 3.36Å; S660-E662 PolarHBondContact OG-OE1 3.12Å |
| 661 | G | 97.3 | Very high | 98.3 | Very high | 16 Ų | 16 | 14.9 Ų | 14.9 | 17% | 0.165 | 9% | 0.085 | C | C | . | . | trans | 83.3 | 33 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L656 I663 L664 | L656-G661 CarbonylContact O-C 3.36Å; L656-G661 VanDerWaalsContact O-CA 3.23Å; L656-G661 WeakPolarHBondContact O-CA 3.4Å; G661-I663 PolarHBondContact O-N 3.06Å; G661-L664 WeakPolarHBondContact O-CB 3.41Å; G661-L664 PolarHBondContact O-N 2.98Å | ||
| 662 | E | 97.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 15.1 Ų | 15.1 | 11% | 0.112 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -38 | -173.3 | -75.5 | 72.6 | -171.7 | 0 | 0 | 112.3 | H279 F280 G658 P659 S660 | H279-E662 HydrophobicContact CB-CB 4.48Å; H279-E662 PolarHBondContact CD2-O 2.94Å; F280-E662 HydrophobicContact CD1-CG 4.09Å; F280-E662 HydrophobicContact CD2-CB 3.83Å; F280-E662 HydrophobicContact CD2-CG 3.98Å; F280-E662 HydrophobicContact CE1-CB 4.35Å; F280-E662 HydrophobicContact CE1-CG 4.11Å; F280-E662 HydrophobicContact CE2-CB 3.43Å; F280-E662 VanDerWaalsContact CE2-CB 3.43Å; F280-E662 HydrophobicContact CE2-CG 3.93Å; F280-E662 HydrophobicContact CG-CB 4.4Å; F280-E662 HydrophobicContact CG-CG 4.05Å; F280-E662 HydrophobicContact CZ-CB 3.75Å; F280-E662 HydrophobicContact CZ-CG 4.03Å; G658-E662 WeakPolarHBondContact CA-OE2 3.33Å; P659-E662 VanDerWaalsContact CD-CD 3.47Å; P659-E662 WeakPolarHBondContact CD-OE1 3.29Å; P659-E662 WeakPolarHBondContact CD-OE2 3.15Å; P659-E662 WeakPolarHBondContact CG-OE1 3.48Å; S660-E662 VanDerWaalsContact CB-OE1 3.32Å; S660-E662 WeakPolarHBondContact CB-OE1 3.2Å; S660-E662 PolarHBondContact N-OE1 3.4Å; S660-E662 PolarHBondContact N-OE2 3.36Å; S660-E662 PolarHBondContact OG-OE1 3.12Å |
| 663 | I | 97.3 | Very high | 98.2 | Very high | 30 Ų | 30 | 15.2 Ų | 15.2 | 15% | 0.154 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | 51.6 | 174.8 | -32.3 | -175.6 | 0 | 0 | 0 | 110.3 | W277 A278 F280 W657 G661 D665 Y666 | W277-I663 HydrophobicContact CH2-CD1 3.23Å; W277-I663 HydrophobicContact CZ2-CD1 4.03Å; W277-I663 HydrophobicContact CZ3-CD1 3.6Å; A278-I663 HydrophobicContact CB-CD1 3.42Å; A278-I663 VanDerWaalsContact CB-CD1 3.42Å; A278-I663 HydrophobicContact CB-CG1 3.88Å; F280-I663 HydrophobicContact CE2-CD1 4.32Å; F280-I663 HydrophobicContact CE2-CG1 4.16Å; W657-I663 HydrophobicContact CB-CB 3.98Å; W657-I663 WeakPolarHBondContact CB-O 3.45Å; W657-I663 HydrophobicContact CD2-CB 3.87Å; W657-I663 HydrophobicContact CD2-CD1 3.65Å; W657-I663 HydrophobicContact CD2-CG1 3.85Å; W657-I663 HydrophobicContact CE3-CB 3.94Å; W657-I663 HydrophobicContact CE3-CD1 3.24Å; W657-I663 HydrophobicContact CE3-CG1 3.41Å; W657-I663 VanDerWaalsContact CE3-CG1 3.41Å; W657-I663 HydrophobicContact CG-CB 3.93Å; W657-I663 HydrophobicContact CG-CG1 4.42Å; W657-I663 HydrophobicContact CH2-CD1 3.69Å; W657-I663 HydrophobicContact CZ2-CD1 3.93Å; W657-I663 HydrophobicContact CZ3-CD1 3.35Å; W657-I663 HydrophobicContact CZ3-CG1 3.98Å; G661-I663 PolarHBondContact O-N 3.06Å; I663-D665 PolarHBondContact O-N 2.78Å; I663-Y666 HydrophobicContact CG2-CD2 3.69Å; I663-Y666 HydrophobicContact CG2-CG 3.88Å; I663-Y666 WeakPolarHBondContact O-CB 3.46Å; I663-Y666 PolarHBondContact O-N 3.3Å |
| 664 | L | 98.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 15.2 Ų | 15.2 | 18% | 0.178 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | 126.5 | -175.8 | -177.3 | 69.4 | 0 | 0 | 0 | 113.6 | R527 R528 L656 G661 Y666 | R527-L664 PolarHBondContact NH1-O 3.45Å; R527-L664 VanDerWaalsContact NH1-O 3.15Å; R528-L664 HydrophobicContact CB-CD2 4.05Å; R528-L664 VanDerWaalsContact NE-CD2 3.34Å; R528-L664 VanDerWaalsContact NH2-CD2 3.32Å; L656-L664 HydrophobicContact CD2-CD1 3.6Å; G661-L664 WeakPolarHBondContact O-CB 3.41Å; G661-L664 PolarHBondContact O-N 2.98Å; L664-Y666 PolarHBondContact O-N 2.83Å |
| 665 | D | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 20 | 177.4 | -51.1 | -41.8 | 0 | 0 | 0 | 113.7 | V526 R527 R528 T655 I663 N668 Y678 R682 | V526-D665 WeakPolarHBondContact O-CB 3.37Å; R527-D665 PolarHBondContact NH1-O 3.44Å; R528-D665 PolarHBondContact N-OD2 3.05Å; T655-D665 PolarHBondContact O-N 2.97Å; I663-D665 PolarHBondContact O-N 2.78Å; D665-N668 HydrophobicContact CB-CB 4.35Å; D665-N668 WeakPolarHBondContact O-CB 3.35Å; D665-N668 PolarHBondContact O-N 3.45Å; D665-N668 PolarHBondContact O-ND2 3.35Å; D665-Y678 VanDerWaalsContact OD1-CE1 3.29Å; D665-Y678 WeakPolarHBondContact OD1-CE1 3.21Å; D665-Y678 PolarHBondContact OD1-OH 3.32Å; D665-R682 VanDerWaalsContact CG-NH1 3.29Å; D665-R682 IonicContact OD1-CZ 3.51Å; D665-R682 IonicContact OD1-NH1 3.54Å; D665-R682 PolarHBondContact OD1-NH1 3.03Å; D665-R682 VanDerWaalsContact OD1-NH1 3.1Å; D665-R682 IonicContact OD1-NH2 2.67Å; D665-R682 IonicContact OD2-CZ 3.41Å; D665-R682 VanDerWaalsContact OD2-CZ 3.27Å; D665-R682 IonicContact OD2-NH1 2.82Å; D665-R682 PolarHBondContact OD2-NH1 3.4Å; D665-R682 IonicContact OD2-NH2 3.64Å; D665-R682 PolarHBondContact OD2-NH2 2.92Å |
| 666 | Y | 98.6 | Very high | 98.2 | Very high | 42 Ų | 42 | 18.7 Ų | 18.7 | 17% | 0.165 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -47.7 | 178.5 | -178.7 | -85.8 | 0 | 0 | 0 | 112.3 | Y149 N422 E455 H520 I663 L664 N668 | Y149-Y666 HydrophobicContact CE2-CD1 4.49Å; Y149-Y666 AromaticContact CE2-CE1 3.99Å; Y149-Y666 HydrophobicContact CE2-CE1 3.99Å; Y149-Y666 AromaticContact CZ-CD1 3.88Å; Y149-Y666 AromaticContact CZ-CE1 3.81Å; Y149-Y666 WeakPolarHBondContact OH-CD1 3.34Å; Y149-Y666 WeakPolarHBondContact OH-CE1 3.43Å; N422-Y666 PolarHBondContact ND2-O 3.47Å; N422-Y666 PolarHBondContact OD1-O 3.44Å; E455-Y666 VanDerWaalsContact CD-OH 3.27Å; E455-Y666 PolarHBondContact OE1-OH 2.99Å; E455-Y666 VanDerWaalsContact OE2-CE1 3.24Å; E455-Y666 WeakPolarHBondContact OE2-CE1 3.34Å; E455-Y666 PolarHBondContact OE2-OH 3.48Å; H520-Y666 AromaticContact CE1-CD2 3.97Å; H520-Y666 AromaticContact CE1-CE2 3.21Å; H520-Y666 WeakPolarHBondContact CE1-CE2 3.38Å; H520-Y666 AromaticContact CE1-CZ 3.43Å; H520-Y666 VanDerWaalsContact CE1-CZ 3.43Å; H520-Y666 PolarHBondContact CE1-OH 3.16Å; H520-Y666 AromaticContact ND1-CE2 3.92Å; H520-Y666 AromaticContact NE2-CE2 3.99Å; I663-Y666 HydrophobicContact CG2-CD2 3.69Å; I663-Y666 HydrophobicContact CG2-CG 3.88Å; I663-Y666 WeakPolarHBondContact O-CB 3.46Å; I663-Y666 PolarHBondContact O-N 3.3Å; L664-Y666 PolarHBondContact O-N 2.83Å; Y666-N668 VanDerWaalsContact C-N 3.32Å |
| 667 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 38.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y149 G420 N422 Q653 V654 K669 | Y149-A667 HydrophobicContact CD1-CB 3.69Å; Y149-A667 HydrophobicContact CE1-CB 3.24Å; G420-A667 VanDerWaalsContact O-CA 3.29Å; G420-A667 WeakPolarHBondContact O-CA 3.46Å; G420-A667 VanDerWaalsContact O-CB 3.25Å; G420-A667 WeakPolarHBondContact O-CB 3.16Å; N422-A667 WeakPolarHBondContact OD1-CA 3.22Å; Q653-A667 WeakPolarHBondContact O-CB 3.5Å; V654-A667 WeakPolarHBondContact CA-O 3.25Å; A667-K669 PolarHBondContact O-NZ 2.92Å |
| 668 | N | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -54.2 | 149.7 | 177.4 | 65.4 | 82.1 | 0 | 0 | 0 | 111.7 | N422 N521 V526 D665 Y666 Y679 | N422-N668 WeakPolarHBondContact CA-O 3.39Å; N422-N668 PolarHBondContact OD1-N 2.78Å; N422-N668 VanDerWaalsContact OD1-N 3.08Å; N422-N668 PolarHBondContact OD1-ND2 2.9Å; N422-N668 PolarHBondContact OD1-O 3.34Å; N521-N668 PolarHBondContact O-ND2 3.39Å; V526-N668 HydrophobicContact CB-CB 3.93Å; V526-N668 HydrophobicContact CG1-CB 4.46Å; V526-N668 HydrophobicContact CG2-CB 4.35Å; V526-N668 WeakPolarHBondContact CG2-OD1 3.44Å; D665-N668 HydrophobicContact CB-CB 4.35Å; D665-N668 WeakPolarHBondContact O-CB 3.35Å; D665-N668 PolarHBondContact O-N 3.45Å; D665-N668 PolarHBondContact O-ND2 3.35Å; Y666-N668 VanDerWaalsContact C-N 3.32Å; N668-Y679 WeakPolarHBondContact CB-OH 3.48Å | ||
| 669 | K | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 19.3 Ų | 19.3 | 4% | 0.039 | 11% | 0.109 | C | C | . | . | trans | -132 | 153 | 176.1 | -58.6 | -70.6 | 172.3 | -71.6 | 0 | 109.7 | G420 G421 V654 A667 W671 L674 Y679 | G420-K669 PolarHBondContact O-NZ 3.17Å; G421-K669 VanDerWaalsContact O-CD 3.23Å; G421-K669 WeakPolarHBondContact O-CD 3.15Å; G421-K669 WeakPolarHBondContact O-CE 3.48Å; G421-K669 PolarHBondContact O-NZ 3.37Å; V654-K669 HydrophobicContact CB-CG 4.24Å; V654-K669 HydrophobicContact CG1-CG 4.07Å; A667-K669 PolarHBondContact O-NZ 2.92Å; K669-W671 HydrophobicContact CB-CD2 3.54Å; K669-W671 HydrophobicContact CB-CE3 3.78Å; K669-W671 HydrophobicContact CB-CG 3.95Å; K669-W671 HydrophobicContact CB-CH2 4.33Å; K669-W671 HydrophobicContact CB-CZ2 4.1Å; K669-W671 HydrophobicContact CB-CZ3 4.17Å; K669-W671 HydrophobicContact CD-CH2 3.96Å; K669-W671 HydrophobicContact CD-CZ2 3.56Å; K669-W671 HydrophobicContact CG-CD2 3.98Å; K669-W671 HydrophobicContact CG-CE3 3.96Å; K669-W671 HydrophobicContact CG-CH2 3.65Å; K669-W671 HydrophobicContact CG-CZ2 3.64Å; K669-W671 HydrophobicContact CG-CZ3 3.8Å; K669-L674 HydrophobicContact CB-CD2 3.93Å; K669-L674 WeakPolarHBondContact O-CD2 3.36Å; K669-Y679 PolarHBondContact N-OH 3.39Å; K669-Y679 VanDerWaalsContact N-OH 3.17Å; K669-Y679 WeakPolarHBondContact O-CE2 3.33Å; K669-Y679 PolarHBondContact O-OH 3.02Å | ||
| 670 | Q | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -108.2 | 84 | 169.9 | -71.2 | 174.6 | 48.3 | 0 | 0 | 108.2 | N423 N521 L525 V526 R573 L618 I675 | N423-Q670 HydrophobicContact CB-CB 4.08Å; N423-Q670 HydrophobicContact CB-CG 4.38Å; N423-Q670 PolarHBondContact OD1-N 3.28Å; N521-Q670 PolarHBondContact ND2-NE2 3.09Å; L525-Q670 HydrophobicContact CD2-CG 4.02Å; V526-Q670 HydrophobicContact CG1-CG 3.88Å; R573-Q670 HydrophobicContact CG-CB 4.42Å; L618-Q670 HydrophobicContact CD1-CB 4.23Å; L618-Q670 WeakPolarHBondContact CD1-O 3.34Å; Q670-I675 HydrophobicContact CB-CD1 4.5Å; Q670-I675 HydrophobicContact CG-CD1 4.46Å | ||
| 671 | W | 98.9 | Very high | 98.5 | Very high | 29 Ų | 29 | 18.7 Ų | 18.7 | 11% | 0.11 | 10% | 0.095 | C | C | . | . | trans | -120.9 | 144.6 | -178.5 | -66.3 | -23.3 | 0 | 0 | 0 | 111.9 | F624 L626 W629 V654 K669 L674 I675 | F624-W671 CarbonylContact O-C 3.54Å; F624-W671 WeakPolarHBondContact O-CA 3.3Å; F624-W671 WeakPolarHBondContact O-CB 3.35Å; L626-W671 HydrophobicContact CB-CB 4.23Å; L626-W671 HydrophobicContact CB-CE3 4.34Å; L626-W671 HydrophobicContact CD1-CE3 3.92Å; L626-W671 HydrophobicContact CD1-CZ3 4.24Å; W629-W671 HydrophobicContact CB-CE3 4.44Å; W629-W671 HydrophobicContact CB-CH2 3.91Å; W629-W671 HydrophobicContact CB-CZ3 3.67Å; W629-W671 AromaticContact CD1-CZ3 3.81Å; W629-W671 AromaticContact CD2-CH2 3.98Å; W629-W671 HydrophobicContact CD2-CH2 3.98Å; W629-W671 HydrophobicContact CD2-CZ3 4.26Å; W629-W671 HydrophobicContact CE3-CH2 4.3Å; W629-W671 AromaticContact CG-CH2 3.81Å; W629-W671 HydrophobicContact CG-CH2 3.81Å; W629-W671 AromaticContact CG-CZ3 3.65Å; W629-W671 HydrophobicContact CG-CZ3 3.65Å; V654-W671 HydrophobicContact CG1-CZ3 4.28Å; K669-W671 HydrophobicContact CB-CD2 3.54Å; K669-W671 HydrophobicContact CB-CE3 3.78Å; K669-W671 HydrophobicContact CB-CG 3.95Å; K669-W671 HydrophobicContact CB-CH2 4.33Å; K669-W671 HydrophobicContact CB-CZ2 4.1Å; K669-W671 HydrophobicContact CB-CZ3 4.17Å; K669-W671 HydrophobicContact CD-CH2 3.96Å; K669-W671 HydrophobicContact CD-CZ2 3.56Å; K669-W671 HydrophobicContact CG-CD2 3.98Å; K669-W671 HydrophobicContact CG-CE3 3.96Å; K669-W671 HydrophobicContact CG-CH2 3.65Å; K669-W671 HydrophobicContact CG-CZ2 3.64Å; K669-W671 HydrophobicContact CG-CZ3 3.8Å; W671-L674 HydrophobicContact CB-CB 4.25Å; W671-L674 WeakPolarHBondContact O-CB 3.39Å; W671-L674 PolarHBondContact O-N 2.82Å; W671-I675 PolarHBondContact O-N 2.89Å | ||
| 672 | G | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 18 Ų | 18 | 5% | 0.052 | 9% | 0.088 | C | C | . | . | B | Isolated β-bridge | trans | -55.9 | 136.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N615 S619 F624 L626 L674 | N615-G672 WeakPolarHBondContact OD1-CA 3.28Å; S619-G672 WeakPolarHBondContact OG-CA 3.43Å; F624-G672 PolarHBondContact O-N 3.45Å; L626-G672 WeakPolarHBondContact CB-O 3.43Å; L626-G672 PolarHBondContact N-O 2.78Å; L626-G672 VanDerWaalsContact N-O 3.12Å; G672-L674 VanDerWaalsContact C-N 3.3Å; G672-L674 PolarHBondContact O-N 3.39Å |
| 673 | G | 98.4 | Very high | 98.6 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 4% | 0.041 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -48.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N615 E676 D677 | N615-G673 PolarHBondContact OD1-N 3.19Å; G673-E676 PolarHBondContact O-N 2.9Å; G673-D677 WeakPolarHBondContact O-CB 3.29Å; G673-D677 PolarHBondContact O-N 3.49Å |
| 674 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.5 | -37.6 | 178 | -170 | 65.4 | 0 | 0 | 0 | 111.8 | L626 V654 T655 K669 W671 G672 E676 Y678 Y679 F716 | L626-L674 HydrophobicContact CB-CB 4.48Å; L626-L674 HydrophobicContact CD2-CB 4.13Å; V654-L674 HydrophobicContact CG2-CD2 4.44Å; T655-L674 HydrophobicContact CG2-CD1 3.96Å; K669-L674 HydrophobicContact CB-CD2 3.93Å; K669-L674 WeakPolarHBondContact O-CD2 3.36Å; W671-L674 HydrophobicContact CB-CB 4.25Å; W671-L674 WeakPolarHBondContact O-CB 3.39Å; W671-L674 PolarHBondContact O-N 2.82Å; G672-L674 VanDerWaalsContact C-N 3.3Å; G672-L674 PolarHBondContact O-N 3.39Å; L674-E676 VanDerWaalsContact C-N 3.35Å; L674-Y678 HydrophobicContact CD1-CD1 4.34Å; L674-Y678 HydrophobicContact CD1-CG 4.15Å; L674-Y678 WeakPolarHBondContact O-CB 3.49Å; L674-Y678 PolarHBondContact O-N 2.87Å; L674-Y678 VanDerWaalsContact O-N 3.12Å; L674-Y679 HydrophobicContact CB-CE2 4.4Å; L674-Y679 HydrophobicContact CD2-CE2 3.7Å; L674-Y679 HydrophobicContact CG-CD2 4.18Å; L674-Y679 HydrophobicContact CG-CE2 3.55Å; L674-Y679 WeakPolarHBondContact O-CD2 3.39Å; L674-Y679 PolarHBondContact O-N 2.87Å; L674-F716 HydrophobicContact CD1-CE1 3.67Å; L674-F716 HydrophobicContact CD1-CE2 3.99Å; L674-F716 HydrophobicContact CD1-CZ 3.35Å |
| 675 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -57 | -48.4 | 170.2 | -62.3 | -52.1 | 0 | 0 | 0 | 111.3 | L525 L611 L614 N615 L618 Q670 W671 Y679 A680 | L525-I675 HydrophobicContact CD1-CD1 4.42Å; L611-I675 HydrophobicContact CB-CG2 4.33Å; L611-I675 HydrophobicContact CD2-CG2 4.46Å; L611-I675 WeakPolarHBondContact O-CG2 3.43Å; L614-I675 HydrophobicContact CB-CG2 4.47Å; L614-I675 HydrophobicContact CD2-CD1 4.02Å; L614-I675 HydrophobicContact CD2-CG1 4.2Å; L614-I675 HydrophobicContact CD2-CG2 4.27Å; L614-I675 HydrophobicContact CG-CG1 4.25Å; L614-I675 HydrophobicContact CG-CG2 4.38Å; N615-I675 HydrophobicContact CB-CB 4.07Å; N615-I675 HydrophobicContact CB-CG2 3.98Å; L618-I675 HydrophobicContact CD1-CD1 4.26Å; L618-I675 HydrophobicContact CD1-CG1 3.55Å; Q670-I675 HydrophobicContact CB-CD1 4.5Å; Q670-I675 HydrophobicContact CG-CD1 4.46Å; W671-I675 PolarHBondContact O-N 2.89Å; I675-Y679 HydrophobicContact CD1-CD2 3.66Å; I675-Y679 HydrophobicContact CD1-CE2 4.07Å; I675-A680 WeakPolarHBondContact O-CB 3.17Å; I675-A680 PolarHBondContact O-N 2.9Å |
| 676 | E | 98.2 | Very high | 98.7 | Very high | 73 Ų | 73 | 16.5 Ų | 16.5 | 34% | 0.341 | 8% | 0.084 | S | C | . | . | I | π-helix | trans | -68.3 | -48.4 | -175.5 | -172 | -176.9 | 151.7 | 0 | 0 | 113.2 | N615 G673 L674 Q681 R721 | N615-E676 PolarHBondContact ND2-OE2 3.19Å; G673-E676 PolarHBondContact O-N 2.9Å; L674-E676 VanDerWaalsContact C-N 3.35Å; E676-Q681 PolarHBondContact O-NE2 3.04Å; E676-R721 IonicContact OE1-CZ 3.74Å; E676-R721 IonicContact OE1-NH1 3.21Å; E676-R721 IonicContact OE1-NH2 3.83Å; E676-R721 PolarHBondContact OE1-NH2 3.42Å |
| 677 | D | 98.4 | Very high | 98.7 | Very high | 17 Ų | 17 | 15.1 Ų | 15.1 | 9% | 0.091 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -101.6 | -9 | -165.3 | -73.7 | -13.2 | 0 | 0 | 0 | 114.7 | G673 Q681 F716 R721 Y723 | G673-D677 WeakPolarHBondContact O-CB 3.29Å; G673-D677 PolarHBondContact O-N 3.49Å; D677-Q681 WeakPolarHBondContact O-CG 3.42Å; D677-F716 HydrophobicContact CB-CD2 4.09Å; D677-F716 HydrophobicContact CB-CE2 4.32Å; D677-R721 IonicContact OD1-CZ 2.63Å; D677-R721 IonicContact OD1-NH1 2.72Å; D677-R721 PolarHBondContact OD1-NH1 2.73Å; D677-R721 WeakPolarHBondContact OD2-CD 3.26Å; D677-R721 IonicContact OD2-CZ 3.95Å; D677-R721 IonicContact OD2-NE 3.7Å; D677-R721 PolarHBondContact OD2-NE 2.78Å; D677-R721 IonicContact OD2-NH1 3.95Å; D677-R721 PolarHBondContact OD2-NH1 2.95Å; D677-R721 IonicContact OD2-NH2 3.06Å; D677-Y723 HydrophobicContact CB-CE1 4.44Å; D677-Y723 WeakPolarHBondContact CB-OH 3.36Å; D677-Y723 WeakPolarHBondContact OD2-CE1 3.37Å; D677-Y723 PolarHBondContact OD2-OH 2.89Å |
| 678 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -119.3 | -66.4 | 176 | -175.6 | -101.7 | 0 | 0 | 0 | 110.8 | T655 D665 L674 Q681 R682 E713 F716 | T655-Y678 HydrophobicContact CG2-CD1 3.91Å; T655-Y678 HydrophobicContact CG2-CD2 3.76Å; T655-Y678 HydrophobicContact CG2-CE1 3.75Å; T655-Y678 HydrophobicContact CG2-CE2 3.58Å; T655-Y678 HydrophobicContact CG2-CG 3.91Å; D665-Y678 VanDerWaalsContact OD1-CE1 3.29Å; D665-Y678 WeakPolarHBondContact OD1-CE1 3.21Å; D665-Y678 PolarHBondContact OD1-OH 3.32Å; L674-Y678 HydrophobicContact CD1-CD1 4.34Å; L674-Y678 HydrophobicContact CD1-CG 4.15Å; L674-Y678 WeakPolarHBondContact O-CB 3.49Å; L674-Y678 PolarHBondContact O-N 2.87Å; L674-Y678 VanDerWaalsContact O-N 3.12Å; Y678-Q681 PolarHBondContact O-N 2.64Å; Y678-R682 WeakPolarHBondContact O-CD 3.17Å; Y678-R682 VanDerWaalsContact O-CG 3.22Å; Y678-R682 WeakPolarHBondContact O-CG 3.17Å; Y678-R682 PolarHBondContact O-N 3.06Å; Y678-E713 HydrophobicContact CE2-CB 3.71Å; Y678-E713 HydrophobicContact CE2-CG 3.64Å; Y678-F716 HydrophobicContact CD2-CB 3.95Å; Y678-F716 AromaticContact CD2-CD1 3.85Å; Y678-F716 HydrophobicContact CD2-CD1 3.85Å; Y678-F716 AromaticContact CD2-CG 3.92Å; Y678-F716 HydrophobicContact CD2-CG 3.92Å; Y678-F716 HydrophobicContact CG-CD1 4.42Å; Y678-F716 HydrophobicContact CG-CG 4.47Å |
| 679 | Y | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -70.5 | -45.1 | -172.7 | -54.7 | -70.9 | 0 | 0 | 0 | 113.2 | V526 N668 K669 L674 I675 Q681 R682 W683 | V526-Y679 HydrophobicContact CB-CE1 4.02Å; V526-Y679 HydrophobicContact CG1-CE1 4.41Å; V526-Y679 WeakPolarHBondContact O-CE1 3.46Å; N668-Y679 WeakPolarHBondContact CB-OH 3.48Å; K669-Y679 PolarHBondContact N-OH 3.39Å; K669-Y679 VanDerWaalsContact N-OH 3.17Å; K669-Y679 WeakPolarHBondContact O-CE2 3.33Å; K669-Y679 PolarHBondContact O-OH 3.02Å; L674-Y679 HydrophobicContact CB-CE2 4.4Å; L674-Y679 HydrophobicContact CD2-CE2 3.7Å; L674-Y679 HydrophobicContact CG-CD2 4.18Å; L674-Y679 HydrophobicContact CG-CE2 3.55Å; L674-Y679 WeakPolarHBondContact O-CD2 3.39Å; L674-Y679 PolarHBondContact O-N 2.87Å; I675-Y679 HydrophobicContact CD1-CD2 3.66Å; I675-Y679 HydrophobicContact CD1-CE2 4.07Å; Y679-Q681 VanDerWaalsContact C-N 3.29Å; Y679-Q681 PolarHBondContact O-N 3.18Å; Y679-R682 PolarHBondContact O-N 2.76Å; Y679-W683 PolarHBondContact O-N 3.01Å |
| 680 | A | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 21.2 Ų | 21.2 | 10% | 0.099 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -33.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L611 I675 W683 G684 | L611-A680 HydrophobicContact CB-CB 4.12Å; L611-A680 HydrophobicContact CD1-CB 3.96Å; I675-A680 WeakPolarHBondContact O-CB 3.17Å; I675-A680 PolarHBondContact O-N 2.9Å; A680-W683 PolarHBondContact O-N 3.42Å; A680-G684 PolarHBondContact O-N 2.91Å |
| 681 | Q | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 22.9 Ų | 22.9 | 45% | 0.449 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -64.8 | -41 | 174.7 | -56.9 | -54.6 | -47.9 | 0 | 0 | 111.7 | E676 D677 Y678 Y679 G684 L685 V712 | E676-Q681 PolarHBondContact O-NE2 3.04Å; D677-Q681 WeakPolarHBondContact O-CG 3.42Å; Y678-Q681 PolarHBondContact O-N 2.64Å; Y679-Q681 VanDerWaalsContact C-N 3.29Å; Y679-Q681 PolarHBondContact O-N 3.18Å; Q681-G684 PolarHBondContact O-N 3.02Å; Q681-L685 WeakPolarHBondContact O-CB 3.3Å; Q681-L685 PolarHBondContact O-N 3.18Å; Q681-V712 HydrophobicContact CB-CG1 3.49Å; Q681-V712 VanDerWaalsContact CB-CG1 3.49Å; Q681-V712 HydrophobicContact CG-CG1 4.49Å |
| 682 | R | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 176.1 | -63.4 | 165.8 | 83 | -166.9 | 16 | 111.4 | R528 P529 D665 Y678 Y679 F686 V709 E713 | R528-R682 VanDerWaalsContact CA-CZ 3.5Å; P529-R682 HydrophobicContact CG-CB 4.28Å; D665-R682 VanDerWaalsContact CG-NH1 3.29Å; D665-R682 IonicContact OD1-CZ 3.51Å; D665-R682 IonicContact OD1-NH1 3.54Å; D665-R682 PolarHBondContact OD1-NH1 3.03Å; D665-R682 VanDerWaalsContact OD1-NH1 3.1Å; D665-R682 IonicContact OD1-NH2 2.67Å; D665-R682 IonicContact OD2-CZ 3.41Å; D665-R682 VanDerWaalsContact OD2-CZ 3.27Å; D665-R682 IonicContact OD2-NH1 2.82Å; D665-R682 PolarHBondContact OD2-NH1 3.4Å; D665-R682 IonicContact OD2-NH2 3.64Å; D665-R682 PolarHBondContact OD2-NH2 2.92Å; Y678-R682 WeakPolarHBondContact O-CD 3.17Å; Y678-R682 VanDerWaalsContact O-CG 3.22Å; Y678-R682 WeakPolarHBondContact O-CG 3.17Å; Y678-R682 PolarHBondContact O-N 3.06Å; Y679-R682 PolarHBondContact O-N 2.76Å; R682-F686 WeakPolarHBondContact O-CB 3.39Å; R682-F686 PolarHBondContact O-N 3.24Å; R682-V709 HydrophobicContact CB-CG2 3.86Å; R682-V709 HydrophobicContact CG-CG2 3.59Å; R682-E713 HydrophobicContact CG-CG 4.24Å; R682-E713 IonicContact CZ-OE1 2.94Å; R682-E713 IonicContact NE-OE1 3.54Å; R682-E713 PolarHBondContact NE-OE1 2.98Å; R682-E713 IonicContact NH2-OE1 3.58Å; R682-E713 PolarHBondContact NH2-OE1 3.23Å |
| 683 | W | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 177 | -83.2 | 109.8 | 0 | 0 | 0 | 112.8 | P524 P529 M533 Y584 L606 V607 L611 Y679 A680 F686 V687 | P524-W683 HydrophobicContact CB-CH2 4.2Å; P524-W683 HydrophobicContact CB-CZ2 3.75Å; P524-W683 WeakPolarHBondContact O-CZ2 3.41Å; P524-W683 PolarHBondContact O-NE1 3.09Å; P529-W683 HydrophobicContact CB-CD2 4.44Å; P529-W683 HydrophobicContact CB-CE3 4.16Å; P529-W683 HydrophobicContact CB-CH2 4.32Å; P529-W683 HydrophobicContact CB-CZ3 4.1Å; P529-W683 HydrophobicContact CG-CD2 3.78Å; P529-W683 HydrophobicContact CG-CE3 3.98Å; P529-W683 HydrophobicContact CG-CG 4.18Å; P529-W683 HydrophobicContact CG-CH2 4.49Å; P529-W683 HydrophobicContact CG-CZ2 4.32Å; P529-W683 HydrophobicContact CG-CZ3 4.33Å; M533-W683 HydrophobicContact CE-CH2 4.19Å; M533-W683 HydrophobicContact CE-CZ2 3.86Å; M533-W683 HydrophobicContact SD-CH2 3.65Å; M533-W683 HydrophobicContact SD-CZ2 3.95Å; Y584-W683 AromaticContact CD2-CH2 3.7Å; Y584-W683 HydrophobicContact CD2-CH2 3.7Å; Y584-W683 HydrophobicContact CD2-CZ3 4.19Å; Y584-W683 HydrophobicContact CG-CH2 4.08Å; L606-W683 HydrophobicContact CD2-CD2 3.8Å; L606-W683 HydrophobicContact CD2-CE3 3.59Å; L606-W683 HydrophobicContact CD2-CG 4.3Å; L606-W683 HydrophobicContact CD2-CZ3 3.99Å; V607-W683 HydrophobicContact CG2-CB 4.24Å; L611-W683 HydrophobicContact CD1-CB 3.95Å; L611-W683 HydrophobicContact CD1-CG 4.09Å; Y679-W683 PolarHBondContact O-N 3.01Å; A680-W683 PolarHBondContact O-N 3.42Å; W683-F686 AromaticContact CE3-CD1 3.98Å; W683-F686 HydrophobicContact CE3-CD1 3.98Å; W683-F686 AromaticContact CZ3-CD1 3.77Å; W683-F686 HydrophobicContact CZ3-CD1 3.77Å; W683-F686 HydrophobicContact CZ3-CE1 4.08Å; W683-F686 PolarHBondContact O-N 3.3Å; W683-V687 WeakPolarHBondContact O-CG2 3.42Å; W683-V687 PolarHBondContact O-N 3.28Å |
| 684 | G | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 17% | 0.165 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.4 | -48.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A680 Q681 F686 V687 Q688 | A680-G684 PolarHBondContact O-N 2.91Å; Q681-G684 PolarHBondContact O-N 3.02Å; G684-F686 VanDerWaalsContact C-N 3.32Å; G684-F686 PolarHBondContact O-N 3.47Å; G684-V687 PolarHBondContact O-N 2.87Å; G684-Q688 VanDerWaalsContact O-CB 3.32Å; G684-Q688 WeakPolarHBondContact O-CB 3.45Å; G684-Q688 PolarHBondContact O-N 2.98Å |
| 685 | L | 98.9 | Very high | 98.5 | Very high | 40 Ų | 40 | 33 Ų | 33 | 21% | 0.209 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 176 | -178.8 | 62.5 | 0 | 0 | 0 | 112 | Q681 T689 F705 A708 V709 V712 | Q681-L685 WeakPolarHBondContact O-CB 3.3Å; Q681-L685 PolarHBondContact O-N 3.18Å; L685-T689 WeakPolarHBondContact O-CB 3.46Å; L685-T689 PolarHBondContact O-N 3.11Å; L685-T689 PolarHBondContact O-OG1 3.42Å; L685-F705 HydrophobicContact CB-CE2 4.32Å; L685-F705 HydrophobicContact CD2-CE2 4.14Å; L685-F705 HydrophobicContact CG-CD2 4.4Å; L685-F705 HydrophobicContact CG-CE2 3.92Å; L685-A708 HydrophobicContact CD2-CB 4.09Å; L685-V709 HydrophobicContact CD2-CB 3.92Å; L685-V709 HydrophobicContact CD2-CG2 4.31Å; L685-V712 HydrophobicContact CD2-CG2 3.99Å |
| 686 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -53.7 | 178.9 | -177.8 | -113 | 0 | 0 | 0 | 111.3 | P529 F531 I587 R682 W683 G684 Q688 T689 L690 Y700 F705 | P529-F686 HydrophobicContact CB-CB 3.58Å; P529-F686 HydrophobicContact CB-CD1 3.71Å; P529-F686 HydrophobicContact CB-CD2 3.69Å; P529-F686 HydrophobicContact CB-CE1 4.28Å; P529-F686 HydrophobicContact CB-CE2 4.27Å; P529-F686 HydrophobicContact CB-CG 3.37Å; P529-F686 HydrophobicContact CG-CB 4.01Å; P529-F686 HydrophobicContact CG-CG 4.32Å; F531-F686 HydrophobicContact CE2-CE2 4.47Å; F531-F686 HydrophobicContact CE2-CZ 4.25Å; F531-F686 HydrophobicContact CZ-CZ 4.23Å; I587-F686 HydrophobicContact CG2-CE1 4.24Å; R682-F686 WeakPolarHBondContact O-CB 3.39Å; R682-F686 PolarHBondContact O-N 3.24Å; W683-F686 AromaticContact CE3-CD1 3.98Å; W683-F686 HydrophobicContact CE3-CD1 3.98Å; W683-F686 AromaticContact CZ3-CD1 3.77Å; W683-F686 HydrophobicContact CZ3-CD1 3.77Å; W683-F686 HydrophobicContact CZ3-CE1 4.08Å; W683-F686 PolarHBondContact O-N 3.3Å; G684-F686 VanDerWaalsContact C-N 3.32Å; G684-F686 PolarHBondContact O-N 3.47Å; F686-Q688 VanDerWaalsContact C-N 3.32Å; F686-Q688 PolarHBondContact O-N 3Å; F686-T689 WeakPolarHBondContact O-CB 3.37Å; F686-T689 PolarHBondContact O-N 3.1Å; F686-T689 VanDerWaalsContact O-N 3.13Å; F686-L690 HydrophobicContact CD1-CD1 4.15Å; F686-L690 HydrophobicContact CE1-CD1 3.62Å; F686-L690 HydrophobicContact CE1-CG 4.32Å; F686-L690 HydrophobicContact CE2-CD1 4.41Å; F686-L690 HydrophobicContact CE2-CD2 4.22Å; F686-L690 HydrophobicContact CE2-CG 4.39Å; F686-L690 HydrophobicContact CZ-CD1 3.77Å; F686-L690 HydrophobicContact CZ-CD2 4.27Å; F686-L690 HydrophobicContact CZ-CG 4.23Å; F686-L690 WeakPolarHBondContact O-CG 3.38Å; F686-L690 PolarHBondContact O-N 3.5Å; F686-Y700 HydrophobicContact CD2-CE2 4.23Å; F686-Y700 HydrophobicContact CE2-CE1 4.5Å; F686-Y700 AromaticContact CE2-CE2 3.95Å; F686-Y700 HydrophobicContact CE2-CE2 3.95Å; F686-Y700 AromaticContact CE2-CZ 3.72Å; F686-Y700 WeakPolarHBondContact CE2-OH 3.4Å; F686-F705 VanDerWaalsContact CA-CE2 3.46Å; F686-F705 HydrophobicContact CB-CE2 3.71Å; F686-F705 HydrophobicContact CB-CZ 3.72Å; F686-F705 HydrophobicContact CD2-CD1 4.45Å; F686-F705 HydrophobicContact CD2-CD2 4.3Å; F686-F705 HydrophobicContact CD2-CE1 4.14Å; F686-F705 AromaticContact CD2-CE2 4Å; F686-F705 HydrophobicContact CD2-CE2 4Å; F686-F705 AromaticContact CD2-CZ 3.9Å; F686-F705 HydrophobicContact CD2-CZ 3.9Å; F686-F705 HydrophobicContact CG-CE2 4.37Å; F686-F705 HydrophobicContact CG-CZ 4.26Å |
| 687 | V | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 111 | I587 V607 W683 G684 T689 L690 V691 | I587-V687 HydrophobicContact CD1-CG2 4.07Å; V607-V687 HydrophobicContact CG2-CB 4.41Å; V607-V687 HydrophobicContact CG2-CG2 4.01Å; W683-V687 WeakPolarHBondContact O-CG2 3.42Å; W683-V687 PolarHBondContact O-N 3.28Å; G684-V687 PolarHBondContact O-N 2.87Å; V687-T689 VanDerWaalsContact C-N 3.34Å; V687-T689 PolarHBondContact O-N 2.96Å; V687-L690 PolarHBondContact O-N 3.31Å; V687-V691 WeakPolarHBondContact O-CG2 3.45Å; V687-V691 PolarHBondContact O-N 3.02Å |
| 688 | Q | 98.6 | Very high | 98.1 | Very high | 108 Ų | 108 | 44.5 Ų | 44.5 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 175.8 | -179.2 | -178.2 | -9.7 | 0 | 0 | 111.5 | G684 F686 L690 V691 E692 | G684-Q688 VanDerWaalsContact O-CB 3.32Å; G684-Q688 WeakPolarHBondContact O-CB 3.45Å; G684-Q688 PolarHBondContact O-N 2.98Å; F686-Q688 VanDerWaalsContact C-N 3.32Å; F686-Q688 PolarHBondContact O-N 3Å; Q688-L690 VanDerWaalsContact C-N 3.28Å; Q688-L690 PolarHBondContact O-N 3.27Å; Q688-V691 PolarHBondContact O-N 3.1Å; Q688-E692 HydrophobicContact CG-CG 4.47Å; Q688-E692 WeakPolarHBondContact CG-OE1 3.41Å; Q688-E692 PolarHBondContact NE2-OE1 2.98Å; Q688-E692 WeakPolarHBondContact O-CG 3.42Å; Q688-E692 PolarHBondContact O-N 3.11Å |
| 689 | T | 98.6 | Very high | 97.9 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 18% | 0.184 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.4 | -41 | 178.6 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | L685 F686 V687 E692 C693 Y700 | L685-T689 WeakPolarHBondContact O-CB 3.46Å; L685-T689 PolarHBondContact O-N 3.11Å; L685-T689 PolarHBondContact O-OG1 3.42Å; F686-T689 WeakPolarHBondContact O-CB 3.37Å; F686-T689 PolarHBondContact O-N 3.1Å; F686-T689 VanDerWaalsContact O-N 3.13Å; V687-T689 VanDerWaalsContact C-N 3.34Å; V687-T689 PolarHBondContact O-N 2.96Å; T689-E692 PolarHBondContact O-N 3.39Å; T689-C693 WeakPolarHBondContact O-CB 3.17Å; T689-C693 PolarHBondContact O-N 3.13Å; T689-C693 PolarHBondContact O-SG 2.9Å; T689-Y700 HydrophobicContact CG2-CD2 3.98Å; T689-Y700 HydrophobicContact CG2-CE2 4.02Å |
| 690 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 177.4 | -64.3 | -169.2 | 0 | 0 | 0 | 112.3 | F531 I587 F591 L599 F686 V687 Q688 C693 L694 Y700 | F531-L690 HydrophobicContact CE1-CD1 4.42Å; F531-L690 HydrophobicContact CE2-CD2 3.76Å; F531-L690 HydrophobicContact CZ-CD1 3.88Å; F531-L690 HydrophobicContact CZ-CD2 3.5Å; F531-L690 HydrophobicContact CZ-CG 4.35Å; I587-L690 HydrophobicContact CG2-CD1 3.65Å; F591-L690 HydrophobicContact CB-CD1 4.22Å; F591-L690 HydrophobicContact CD1-CD2 4.32Å; F591-L690 HydrophobicContact CD2-CB 3.71Å; F591-L690 HydrophobicContact CD2-CD1 4.33Å; F591-L690 HydrophobicContact CD2-CD2 3.94Å; F591-L690 HydrophobicContact CD2-CG 4.19Å; F591-L690 HydrophobicContact CE1-CD2 4.26Å; F591-L690 HydrophobicContact CE2-CB 4.02Å; F591-L690 HydrophobicContact CE2-CD2 3.9Å; F591-L690 HydrophobicContact CE2-CG 4.49Å; F591-L690 WeakPolarHBondContact CE2-O 3.38Å; F591-L690 HydrophobicContact CG-CB 4.43Å; F591-L690 HydrophobicContact CG-CD1 4.24Å; F591-L690 HydrophobicContact CG-CD2 4.15Å; F591-L690 HydrophobicContact CZ-CD2 4.06Å; L599-L690 HydrophobicContact CD1-CB 4.37Å; L599-L690 HydrophobicContact CD1-CD1 4.26Å; L599-L690 HydrophobicContact CD2-CB 4.01Å; F686-L690 HydrophobicContact CD1-CD1 4.15Å; F686-L690 HydrophobicContact CE1-CD1 3.62Å; F686-L690 HydrophobicContact CE1-CG 4.32Å; F686-L690 HydrophobicContact CE2-CD1 4.41Å; F686-L690 HydrophobicContact CE2-CD2 4.22Å; F686-L690 HydrophobicContact CE2-CG 4.39Å; F686-L690 HydrophobicContact CZ-CD1 3.77Å; F686-L690 HydrophobicContact CZ-CD2 4.27Å; F686-L690 HydrophobicContact CZ-CG 4.23Å; F686-L690 WeakPolarHBondContact O-CG 3.38Å; F686-L690 PolarHBondContact O-N 3.5Å; V687-L690 PolarHBondContact O-N 3.31Å; Q688-L690 VanDerWaalsContact C-N 3.28Å; Q688-L690 PolarHBondContact O-N 3.27Å; L690-C693 WeakPolarHBondContact O-CB 3.44Å; L690-C693 PolarHBondContact O-N 2.97Å; L690-L694 PolarHBondContact O-N 3.45Å; L690-Y700 HydrophobicContact CD2-CD2 3.52Å; L690-Y700 HydrophobicContact CD2-CE2 3.98Å; L690-Y700 HydrophobicContact CD2-CG 3.98Å |
| 691 | V | 98.5 | Very high | 97.8 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 21% | 0.212 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 176 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | M596 L599 L600 V687 Q688 C693 L694 D695 | M596-V691 HydrophobicContact CE-CG1 4.21Å; M596-V691 HydrophobicContact SD-CG1 4.05Å; M596-V691 HydrophobicContact SD-CG2 4.38Å; L599-V691 HydrophobicContact CD2-CG2 3.84Å; L599-V691 HydrophobicContact CG-CG2 4.16Å; L600-V691 HydrophobicContact CD2-CG1 4.28Å; L600-V691 HydrophobicContact CD2-CG2 3.74Å; V687-V691 WeakPolarHBondContact O-CG2 3.45Å; V687-V691 PolarHBondContact O-N 3.02Å; Q688-V691 PolarHBondContact O-N 3.1Å; V691-C693 VanDerWaalsContact C-N 3.31Å; V691-C693 PolarHBondContact O-N 3.28Å; V691-L694 PolarHBondContact O-N 3.15Å; V691-D695 WeakPolarHBondContact O-CB 3.34Å; V691-D695 PolarHBondContact O-N 2.83Å |
| 692 | E | 98.3 | Very high | 97.8 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 177.4 | -71.9 | 177.6 | -167 | 0 | 0 | 112.6 | Q688 T689 R696 | Q688-E692 HydrophobicContact CG-CG 4.47Å; Q688-E692 WeakPolarHBondContact CG-OE1 3.41Å; Q688-E692 PolarHBondContact NE2-OE1 2.98Å; Q688-E692 WeakPolarHBondContact O-CG 3.42Å; Q688-E692 PolarHBondContact O-N 3.11Å; T689-E692 PolarHBondContact O-N 3.39Å; E692-R696 WeakPolarHBondContact O-CB 3.37Å; E692-R696 WeakPolarHBondContact O-CG 3.48Å; E692-R696 PolarHBondContact O-N 3.36Å |
| 693 | C | 98.3 | Very high | 97.7 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 10% | 0.101 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 175 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | F591 T689 L690 V691 G697 L698 | F591-C693 HydrophobicContact CE2-CB 3.81Å; F591-C693 HydrophobicContact CZ-CB 3.97Å; T689-C693 WeakPolarHBondContact O-CB 3.17Å; T689-C693 PolarHBondContact O-N 3.13Å; T689-C693 PolarHBondContact O-SG 2.9Å; L690-C693 WeakPolarHBondContact O-CB 3.44Å; L690-C693 PolarHBondContact O-N 2.97Å; V691-C693 VanDerWaalsContact C-N 3.31Å; V691-C693 PolarHBondContact O-N 3.28Å; C693-G697 CarbonylContact O-C 3.53Å; C693-G697 WeakPolarHBondContact O-CA 3.05Å; C693-G697 PolarHBondContact O-N 3.45Å; C693-L698 WeakPolarHBondContact CB-O 3.18Å; C693-L698 PolarHBondContact O-N 2.56Å |
| 694 | L | 97.5 | Very high | 97.6 | Very high | 37 Ų | 37 | 63.8 Ų | 63.8 | 19% | 0.194 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 177.7 | -71.3 | -171.2 | 0 | 0 | 0 | 112.3 | F591 K594 M596 L599 L690 V691 R696 G697 | F591-L694 HydrophobicContact CD2-CD1 4.05Å; F591-L694 HydrophobicContact CD2-CD2 3.82Å; F591-L694 HydrophobicContact CD2-CG 3.64Å; F591-L694 HydrophobicContact CE2-CD2 3.74Å; F591-L694 HydrophobicContact CE2-CG 3.71Å; K594-L694 HydrophobicContact CB-CD2 4.23Å; K594-L694 HydrophobicContact CG-CD2 4.15Å; M596-L694 HydrophobicContact CE-CB 3.57Å; M596-L694 HydrophobicContact CE-CD1 4.45Å; L599-L694 HydrophobicContact CD2-CD1 3.58Å; L599-L694 HydrophobicContact CD2-CG 4.31Å; L690-L694 PolarHBondContact O-N 3.45Å; V691-L694 PolarHBondContact O-N 3.15Å; L694-R696 VanDerWaalsContact C-N 3.35Å; L694-R696 PolarHBondContact O-N 3.04Å; L694-G697 PolarHBondContact O-N 2.88Å |
| 695 | D | 97.4 | Very high | 97.6 | Very high | 124 Ų | 124 | 63.2 Ų | 63.2 | 66% | 0.663 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.8 | -42.9 | -179.5 | -177.4 | 65.1 | 0 | 0 | 0 | 111.9 | M596 V691 | M596-D695 HydrophobicContact CE-CB 4.18Å; V691-D695 WeakPolarHBondContact O-CB 3.34Å; V691-D695 PolarHBondContact O-N 2.83Å |
| 696 | R | 96.8 | Very high | 97.6 | Very high | 165 Ų | 165 | 63.2 Ų | 63.2 | 62% | 0.623 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -88.2 | -4.1 | -179.5 | -61.4 | -179.7 | -179.3 | -178.9 | 4.5 | 114.2 | E692 L694 L698 | E692-R696 WeakPolarHBondContact O-CB 3.37Å; E692-R696 WeakPolarHBondContact O-CG 3.48Å; E692-R696 PolarHBondContact O-N 3.36Å; L694-R696 VanDerWaalsContact C-N 3.35Å; L694-R696 PolarHBondContact O-N 3.04Å; R696-L698 VanDerWaalsContact C-N 3.26Å; R696-L698 HydrophobicContact CB-CD1 3.95Å; R696-L698 HydrophobicContact CB-CG 3.89Å; R696-L698 PolarHBondContact O-N 2.74Å |
| 697 | G | 94.6 | Very high | 97.6 | Very high | 67 Ų | 67 | 69.8 Ų | 69.8 | 69% | 0.691 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 28.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | C693 L694 | C693-G697 CarbonylContact O-C 3.53Å; C693-G697 WeakPolarHBondContact O-CA 3.05Å; C693-G697 PolarHBondContact O-N 3.45Å; L694-G697 PolarHBondContact O-N 2.88Å |
| 698 | L | 94.8 | Very high | 97.6 | Very high | 99 Ų | 99 | 71.2 Ų | 71.2 | 52% | 0.518 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -96.4 | 146.3 | -179.8 | -65.5 | 176.5 | 0 | 0 | 0 | 111.5 | C693 R696 | C693-L698 WeakPolarHBondContact CB-O 3.18Å; C693-L698 PolarHBondContact O-N 2.56Å; R696-L698 VanDerWaalsContact C-N 3.26Å; R696-L698 HydrophobicContact CB-CD1 3.95Å; R696-L698 HydrophobicContact CB-CG 3.89Å; R696-L698 PolarHBondContact O-N 2.74Å |
| 699 | P | 95.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 66.1 Ų | 66.1 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 139.5 | 173.4 | 30.2 | -33.8 | 0 | 0 | 0 | 111 | ||
| 700 | Y | 97.4 | Very high | 97.6 | Very high | 33 Ų | 33 | 66.5 Ų | 66.5 | 13% | 0.129 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 134.1 | 169.7 | 173.8 | -95.3 | 0 | 0 | 0 | 110.9 | F531 F686 T689 L690 Q702 F705 | F531-Y700 AromaticContact CD2-CD1 3.68Å; F531-Y700 HydrophobicContact CD2-CD1 3.68Å; F531-Y700 AromaticContact CD2-CE1 3.72Å; F531-Y700 HydrophobicContact CD2-CE1 3.72Å; F531-Y700 HydrophobicContact CD2-CG 4.47Å; F531-Y700 AromaticContact CE2-CD1 3.39Å; F531-Y700 HydrophobicContact CE2-CD1 3.39Å; F531-Y700 HydrophobicContact CE2-CD2 4.37Å; F531-Y700 AromaticContact CE2-CE1 3.71Å; F531-Y700 HydrophobicContact CE2-CE1 3.71Å; F531-Y700 AromaticContact CE2-CG 3.74Å; F531-Y700 HydrophobicContact CE2-CG 3.74Å; F686-Y700 HydrophobicContact CD2-CE2 4.23Å; F686-Y700 HydrophobicContact CE2-CE1 4.5Å; F686-Y700 AromaticContact CE2-CE2 3.95Å; F686-Y700 HydrophobicContact CE2-CE2 3.95Å; F686-Y700 AromaticContact CE2-CZ 3.72Å; F686-Y700 WeakPolarHBondContact CE2-OH 3.4Å; T689-Y700 HydrophobicContact CG2-CD2 3.98Å; T689-Y700 HydrophobicContact CG2-CE2 4.02Å; L690-Y700 HydrophobicContact CD2-CD2 3.52Å; L690-Y700 HydrophobicContact CD2-CE2 3.98Å; L690-Y700 HydrophobicContact CD2-CG 3.98Å; Y700-Q702 HydrophobicContact CE1-CB 4.01Å; Y700-Q702 VanDerWaalsContact CE1-OE1 3.3Å; Y700-Q702 VanDerWaalsContact OH-CD 3.24Å; Y700-Q702 PolarHBondContact OH-NE2 3.39Å; Y700-Q702 PolarHBondContact OH-OE1 3.28Å; Y700-F705 HydrophobicContact CE2-CB 3.84Å; Y700-F705 HydrophobicContact CE2-CG 4.19Å; Y700-F705 WeakPolarHBondContact OH-CB 3.36Å; Y700-F705 VanDerWaalsContact OH-CD1 3.3Å; Y700-F705 WeakPolarHBondContact OH-CD1 3.36Å; Y700-F705 WeakPolarHBondContact OH-CG 3.27Å |
| 701 | K | 97.6 | Very high | 97.5 | Very high | 135 Ų | 135 | 72.1 Ų | 72.1 | 59% | 0.587 | 38% | 0.382 | S | S | * | . | trans | -121.9 | 112.4 | 176.5 | -66.5 | -177.6 | -179.4 | 179.8 | 0 | 110 | D703 T704 F705 | K701-D703 VanDerWaalsContact C-N 3.29Å; K701-D703 PolarHBondContact O-N 3.28Å; K701-T704 PolarHBondContact O-N 2.71Å; K701-F705 PolarHBondContact O-N 3.46Å; K701-F705 VanDerWaalsContact O-N 3.13Å | ||
| 702 | Q | 97.6 | Very high | 97.5 | Very high | 51 Ų | 51 | 72.6 Ų | 72.6 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.1 | -38.1 | -177.8 | -173.3 | 67.4 | 46.4 | 0 | 0 | 112.4 | P529 S530 Y700 T704 F705 N706 | P529-Q702 PolarHBondContact O-NE2 2.86Å; S530-Q702 VanDerWaalsContact CB-OE1 3.24Å; Y700-Q702 HydrophobicContact CE1-CB 4.01Å; Y700-Q702 VanDerWaalsContact CE1-OE1 3.3Å; Y700-Q702 VanDerWaalsContact OH-CD 3.24Å; Y700-Q702 PolarHBondContact OH-NE2 3.39Å; Y700-Q702 PolarHBondContact OH-OE1 3.28Å; Q702-T704 PolarHBondContact O-N 2.96Å; Q702-F705 PolarHBondContact O-N 3.04Å; Q702-N706 PolarHBondContact NE2-OD1 2.92Å; Q702-N706 WeakPolarHBondContact O-CB 3.49Å; Q702-N706 PolarHBondContact O-N 2.92Å; Q702-N706 PolarHBondContact O-ND2 3.45Å; Q702-N706 PolarHBondContact O-OD1 3.39Å |
| 703 | D | 97.7 | Very high | 97.6 | Very high | 121 Ų | 121 | 69 Ų | 69 | 65% | 0.647 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | -178.8 | -63.6 | -28.9 | 0 | 0 | 0 | 112.4 | K701 N706 Q707 | K701-D703 VanDerWaalsContact C-N 3.29Å; K701-D703 PolarHBondContact O-N 3.28Å; D703-N706 PolarHBondContact O-N 2.69Å; D703-Q707 WeakPolarHBondContact O-CG 3.38Å; D703-Q707 PolarHBondContact O-N 3.22Å |
| 704 | T | 97.7 | Very high | 97.6 | Very high | 84 Ų | 84 | 71.4 Ų | 71.4 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 174.5 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | K701 Q702 Q707 A708 | K701-T704 PolarHBondContact O-N 2.71Å; Q702-T704 PolarHBondContact O-N 2.96Å; T704-Q707 PolarHBondContact O-N 3.35Å; T704-A708 PolarHBondContact O-N 3.01Å; T704-A708 VanDerWaalsContact O-N 3.15Å |
| 705 | F | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 71.4 Ų | 71.4 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 173.3 | 173.1 | -99.1 | 0 | 0 | 0 | 111.8 | R528 P529 L685 F686 Y700 K701 Q702 Q707 A708 V709 | R528-F705 HydrophobicContact CG-CE1 4.26Å; P529-F705 HydrophobicContact CB-CE1 4.23Å; P529-F705 HydrophobicContact CB-CZ 4.09Å; P529-F705 HydrophobicContact CG-CZ 4.35Å; P529-F705 VanDerWaalsContact O-CE1 3.22Å; P529-F705 WeakPolarHBondContact O-CE1 3.47Å; L685-F705 HydrophobicContact CB-CE2 4.32Å; L685-F705 HydrophobicContact CD2-CE2 4.14Å; L685-F705 HydrophobicContact CG-CD2 4.4Å; L685-F705 HydrophobicContact CG-CE2 3.92Å; F686-F705 VanDerWaalsContact CA-CE2 3.46Å; F686-F705 HydrophobicContact CB-CE2 3.71Å; F686-F705 HydrophobicContact CB-CZ 3.72Å; F686-F705 HydrophobicContact CD2-CD1 4.45Å; F686-F705 HydrophobicContact CD2-CD2 4.3Å; F686-F705 HydrophobicContact CD2-CE1 4.14Å; F686-F705 AromaticContact CD2-CE2 4Å; F686-F705 HydrophobicContact CD2-CE2 4Å; F686-F705 AromaticContact CD2-CZ 3.9Å; F686-F705 HydrophobicContact CD2-CZ 3.9Å; F686-F705 HydrophobicContact CG-CE2 4.37Å; F686-F705 HydrophobicContact CG-CZ 4.26Å; Y700-F705 HydrophobicContact CE2-CB 3.84Å; Y700-F705 HydrophobicContact CE2-CG 4.19Å; Y700-F705 WeakPolarHBondContact OH-CB 3.36Å; Y700-F705 VanDerWaalsContact OH-CD1 3.3Å; Y700-F705 WeakPolarHBondContact OH-CD1 3.36Å; Y700-F705 WeakPolarHBondContact OH-CG 3.27Å; K701-F705 PolarHBondContact O-N 3.46Å; K701-F705 VanDerWaalsContact O-N 3.13Å; Q702-F705 PolarHBondContact O-N 3.04Å; F705-Q707 VanDerWaalsContact C-N 3.28Å; F705-Q707 PolarHBondContact O-N 2.95Å; F705-A708 PolarHBondContact O-N 3.47Å; F705-A708 VanDerWaalsContact O-N 3.11Å; F705-V709 HydrophobicContact CD1-CG1 4.18Å; F705-V709 HydrophobicContact CE1-CB 4.01Å; F705-V709 HydrophobicContact CE1-CG1 3.84Å; F705-V709 HydrophobicContact CE1-CG2 4.3Å; F705-V709 HydrophobicContact CE2-CB 4.13Å; F705-V709 HydrophobicContact CE2-CG2 4.46Å; F705-V709 HydrophobicContact CZ-CB 3.8Å; F705-V709 HydrophobicContact CZ-CG1 4.16Å; F705-V709 HydrophobicContact CZ-CG2 3.87Å; F705-V709 WeakPolarHBondContact O-CB 3.14Å; F705-V709 VanDerWaalsContact O-CG1 3.31Å; F705-V709 WeakPolarHBondContact O-CG1 3.35Å; F705-V709 PolarHBondContact O-N 3.49Å |
| 706 | N | 98.5 | Very high | 97.6 | Very high | 40 Ų | 40 | 65.7 Ų | 65.7 | 21% | 0.214 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.3 | -39.6 | 178.4 | -75.5 | -15.1 | 0 | 0 | 0 | 111.9 | R528 Q702 D703 F710 | R528-N706 WeakPolarHBondContact CD-OD1 3.43Å; Q702-N706 PolarHBondContact NE2-OD1 2.92Å; Q702-N706 WeakPolarHBondContact O-CB 3.49Å; Q702-N706 PolarHBondContact O-N 2.92Å; Q702-N706 PolarHBondContact O-ND2 3.45Å; Q702-N706 PolarHBondContact O-OD1 3.39Å; D703-N706 PolarHBondContact O-N 2.69Å; N706-F710 VanDerWaalsContact O-CB 3.25Å; N706-F710 WeakPolarHBondContact O-CB 3.4Å; N706-F710 PolarHBondContact O-N 2.81Å; N706-F710 VanDerWaalsContact O-N 3.08Å |
| 707 | Q | 98.1 | Very high | 97.7 | Very high | 138 Ų | 138 | 57.9 Ų | 57.9 | 65% | 0.645 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.8 | -43.7 | 174.9 | -71.6 | 172 | -2.8 | 0 | 0 | 112 | D703 T704 F705 | D703-Q707 WeakPolarHBondContact O-CG 3.38Å; D703-Q707 PolarHBondContact O-N 3.22Å; T704-Q707 PolarHBondContact O-N 3.35Å; F705-Q707 VanDerWaalsContact C-N 3.28Å; F705-Q707 PolarHBondContact O-N 2.95Å |
| 708 | A | 98.5 | Very high | 97.8 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68 | -47.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L685 T704 F705 F710 Q711 | L685-A708 HydrophobicContact CD2-CB 4.09Å; T704-A708 PolarHBondContact O-N 3.01Å; T704-A708 VanDerWaalsContact O-N 3.15Å; F705-A708 PolarHBondContact O-N 3.47Å; F705-A708 VanDerWaalsContact O-N 3.11Å; A708-F710 VanDerWaalsContact C-N 3.3Å; A708-F710 PolarHBondContact O-N 2.96Å; A708-Q711 WeakPolarHBondContact O-CB 3.32Å; A708-Q711 PolarHBondContact O-N 3.49Å; A708-Q711 VanDerWaalsContact O-N 3.15Å |
| 709 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.6 | -29.7 | -178.8 | 75.8 | 0 | 0 | 0 | 0 | 112.1 | R528 R682 L685 F705 Q711 V712 E713 | R528-V709 HydrophobicContact CG-CG1 3.94Å; R682-V709 HydrophobicContact CB-CG2 3.86Å; R682-V709 HydrophobicContact CG-CG2 3.59Å; L685-V709 HydrophobicContact CD2-CB 3.92Å; L685-V709 HydrophobicContact CD2-CG2 4.31Å; F705-V709 HydrophobicContact CD1-CG1 4.18Å; F705-V709 HydrophobicContact CE1-CB 4.01Å; F705-V709 HydrophobicContact CE1-CG1 3.84Å; F705-V709 HydrophobicContact CE1-CG2 4.3Å; F705-V709 HydrophobicContact CE2-CB 4.13Å; F705-V709 HydrophobicContact CE2-CG2 4.46Å; F705-V709 HydrophobicContact CZ-CB 3.8Å; F705-V709 HydrophobicContact CZ-CG1 4.16Å; F705-V709 HydrophobicContact CZ-CG2 3.87Å; F705-V709 WeakPolarHBondContact O-CB 3.14Å; F705-V709 VanDerWaalsContact O-CG1 3.31Å; F705-V709 WeakPolarHBondContact O-CG1 3.35Å; F705-V709 PolarHBondContact O-N 3.49Å; V709-Q711 PolarHBondContact O-N 2.69Å; V709-V712 WeakPolarHBondContact O-CB 3.45Å; V709-V712 PolarHBondContact O-N 3.03Å; V709-E713 VanDerWaalsContact O-CG 3.3Å; V709-E713 WeakPolarHBondContact O-CG 3.39Å; V709-E713 PolarHBondContact O-N 3.01Å |
| 710 | F | 98.6 | Very high | 97.6 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 17% | 0.167 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -32.7 | 172.9 | 180 | -107.8 | 0 | 0 | 0 | 112.3 | L656 N706 A708 V712 E713 Q714 | L656-F710 HydrophobicContact CD1-CE2 4.04Å; L656-F710 HydrophobicContact CD2-CD2 4.24Å; L656-F710 HydrophobicContact CD2-CE2 4.08Å; N706-F710 VanDerWaalsContact O-CB 3.25Å; N706-F710 WeakPolarHBondContact O-CB 3.4Å; N706-F710 PolarHBondContact O-N 2.81Å; N706-F710 VanDerWaalsContact O-N 3.08Å; A708-F710 VanDerWaalsContact C-N 3.3Å; A708-F710 PolarHBondContact O-N 2.96Å; F710-V712 VanDerWaalsContact C-N 3.33Å; F710-V712 PolarHBondContact O-N 2.88Å; F710-E713 PolarHBondContact O-N 2.81Å; F710-Q714 VanDerWaalsContact O-CB 3.26Å; F710-Q714 WeakPolarHBondContact O-CB 3.44Å; F710-Q714 PolarHBondContact O-N 2.94Å |
| 711 | Q | 98.3 | Very high | 97.6 | Very high | 119 Ų | 119 | 61.8 Ų | 61.8 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.9 | -35 | 174.2 | -60.6 | -56.7 | -60.5 | 0 | 0 | 112.2 | A708 V709 G715 | A708-Q711 WeakPolarHBondContact O-CB 3.32Å; A708-Q711 PolarHBondContact O-N 3.49Å; A708-Q711 VanDerWaalsContact O-N 3.15Å; V709-Q711 PolarHBondContact O-N 2.69Å; Q711-G715 WeakPolarHBondContact O-CA 3.46Å; Q711-G715 PolarHBondContact O-N 3.29Å |
| 712 | V | 98.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 63.9 Ų | 63.9 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | Q681 L685 V709 F710 G715 F716 | Q681-V712 HydrophobicContact CB-CG1 3.49Å; Q681-V712 VanDerWaalsContact CB-CG1 3.49Å; Q681-V712 HydrophobicContact CG-CG1 4.49Å; L685-V712 HydrophobicContact CD2-CG2 3.99Å; V709-V712 WeakPolarHBondContact O-CB 3.45Å; V709-V712 PolarHBondContact O-N 3.03Å; F710-V712 VanDerWaalsContact C-N 3.33Å; F710-V712 PolarHBondContact O-N 2.88Å; V712-G715 PolarHBondContact O-N 3.01Å; V712-F716 PolarHBondContact O-N 3.36Å |
| 713 | E | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | -179.1 | -64.2 | 164.2 | 175.9 | 0 | 0 | 111.7 | R528 L656 Y678 R682 V709 F710 F716 | R528-E713 IonicContact CZ-OE1 2.73Å; R528-E713 IonicContact CZ-OE2 3.19Å; R528-E713 IonicContact NE-OE1 2.94Å; R528-E713 PolarHBondContact NE-OE1 3.32Å; R528-E713 IonicContact NE-OE2 3.86Å; R528-E713 IonicContact NH2-OE1 2.62Å; R528-E713 IonicContact NH2-OE2 3.16Å; R528-E713 PolarHBondContact NH2-OE2 2.98Å; L656-E713 HydrophobicContact CD2-CB 3.7Å; L656-E713 HydrophobicContact CG-CB 4.42Å; Y678-E713 HydrophobicContact CE2-CB 3.71Å; Y678-E713 HydrophobicContact CE2-CG 3.64Å; R682-E713 HydrophobicContact CG-CG 4.24Å; R682-E713 IonicContact CZ-OE1 2.94Å; R682-E713 IonicContact NE-OE1 3.54Å; R682-E713 PolarHBondContact NE-OE1 2.98Å; R682-E713 IonicContact NH2-OE1 3.58Å; R682-E713 PolarHBondContact NH2-OE1 3.23Å; V709-E713 VanDerWaalsContact O-CG 3.3Å; V709-E713 WeakPolarHBondContact O-CG 3.39Å; V709-E713 PolarHBondContact O-N 3.01Å; F710-E713 PolarHBondContact O-N 2.81Å; E713-F716 PolarHBondContact O-N 3.23Å |
| 714 | Q | 98.1 | Very high | 97.6 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 30% | 0.304 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 175.1 | -170.7 | 180 | 15.9 | 0 | 0 | 111.6 | F710 F716 I717 Y718 | F710-Q714 VanDerWaalsContact O-CB 3.26Å; F710-Q714 WeakPolarHBondContact O-CB 3.44Å; F710-Q714 PolarHBondContact O-N 2.94Å; Q714-F716 VanDerWaalsContact C-N 3.27Å; Q714-F716 PolarHBondContact O-N 3.36Å; Q714-I717 WeakPolarHBondContact O-CB 3.42Å; Q714-I717 PolarHBondContact O-N 2.9Å; Q714-I717 VanDerWaalsContact O-N 3.1Å; Q714-Y718 HydrophobicContact CG-CD2 4.06Å; Q714-Y718 HydrophobicContact CG-CE2 3.97Å; Q714-Y718 WeakPolarHBondContact O-CD2 3.46Å; Q714-Y718 PolarHBondContact O-N 3.47Å |
| 715 | G | 98.1 | Very high | 97.6 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 38% | 0.381 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q711 V712 I717 Y718 N719 | Q711-G715 WeakPolarHBondContact O-CA 3.46Å; Q711-G715 PolarHBondContact O-N 3.29Å; V712-G715 PolarHBondContact O-N 3.01Å; G715-I717 VanDerWaalsContact C-N 3.3Å; G715-I717 PolarHBondContact O-N 3.39Å; G715-Y718 PolarHBondContact O-N 3.19Å; G715-N719 VanDerWaalsContact O-CB 3.29Å; G715-N719 WeakPolarHBondContact O-CB 3.37Å; G715-N719 PolarHBondContact O-N 3.16Å |
| 716 | F | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 66 Ų | 66 | 1% | 0.013 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 175.8 | 171.3 | -99.7 | 0 | 0 | 0 | 113.4 | L626 R651 T655 L674 D677 Y678 V712 E713 Q714 Y718 N719 | L626-F716 HydrophobicContact CD2-CE2 3.97Å; L626-F716 HydrophobicContact CD2-CZ 3.78Å; R651-F716 HydrophobicContact CB-CE1 4Å; R651-F716 HydrophobicContact CG-CE1 4.15Å; R651-F716 HydrophobicContact CG-CZ 4.37Å; R651-F716 PolarHBondContact NH1-O 3.27Å; T655-F716 HydrophobicContact CG2-CD1 3.9Å; T655-F716 HydrophobicContact CG2-CE1 3.73Å; L674-F716 HydrophobicContact CD1-CE1 3.67Å; L674-F716 HydrophobicContact CD1-CE2 3.99Å; L674-F716 HydrophobicContact CD1-CZ 3.35Å; D677-F716 HydrophobicContact CB-CD2 4.09Å; D677-F716 HydrophobicContact CB-CE2 4.32Å; Y678-F716 HydrophobicContact CD2-CB 3.95Å; Y678-F716 AromaticContact CD2-CD1 3.85Å; Y678-F716 HydrophobicContact CD2-CD1 3.85Å; Y678-F716 AromaticContact CD2-CG 3.92Å; Y678-F716 HydrophobicContact CD2-CG 3.92Å; Y678-F716 HydrophobicContact CG-CD1 4.42Å; Y678-F716 HydrophobicContact CG-CG 4.47Å; V712-F716 PolarHBondContact O-N 3.36Å; E713-F716 PolarHBondContact O-N 3.23Å; Q714-F716 VanDerWaalsContact C-N 3.27Å; Q714-F716 PolarHBondContact O-N 3.36Å; F716-Y718 VanDerWaalsContact C-N 3.33Å; F716-Y718 PolarHBondContact O-N 3.24Å; F716-N719 PolarHBondContact O-OD1 2.91Å |
| 717 | I | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 179.3 | -54.2 | -54.3 | 0 | 0 | 0 | 111.7 | M648 R651 N652 T655 L656 Q714 G715 | M648-I717 HydrophobicContact CG-CG2 3.85Å; R651-I717 HydrophobicContact CB-CD1 3.89Å; R651-I717 WeakPolarHBondContact CD-O 3.24Å; N652-I717 HydrophobicContact CB-CD1 4.14Å; N652-I717 HydrophobicContact CB-CG2 4.41Å; T655-I717 WeakPolarHBondContact OG1-CD1 3.42Å; L656-I717 HydrophobicContact CD1-CG1 3.95Å; L656-I717 HydrophobicContact CG-CG1 4.45Å; Q714-I717 WeakPolarHBondContact O-CB 3.42Å; Q714-I717 PolarHBondContact O-N 2.9Å; Q714-I717 VanDerWaalsContact O-N 3.1Å; G715-I717 VanDerWaalsContact C-N 3.3Å; G715-I717 PolarHBondContact O-N 3.39Å |
| 718 | Y | 96.1 | Very high | 97.6 | Very high | 144 Ų | 144 | 65.8 Ų | 65.8 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -110.5 | 7.9 | -169 | -58.8 | -70.6 | 0 | 0 | 0 | 113.8 | M648 Q714 G715 F716 G720 | M648-Y718 HydrophobicContact CG-CE1 3.73Å; Q714-Y718 HydrophobicContact CG-CD2 4.06Å; Q714-Y718 HydrophobicContact CG-CE2 3.97Å; Q714-Y718 WeakPolarHBondContact O-CD2 3.46Å; Q714-Y718 PolarHBondContact O-N 3.47Å; G715-Y718 PolarHBondContact O-N 3.19Å; F716-Y718 VanDerWaalsContact C-N 3.33Å; F716-Y718 PolarHBondContact O-N 3.24Å; Y718-G720 PolarHBondContact O-N 2.82Å |
| 719 | N | 93.7 | Very high | 97.5 | Very high | 69 Ų | 69 | 66.8 Ų | 66.8 | 37% | 0.369 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -69.7 | -16.7 | -176.4 | 67.8 | 19.5 | 0 | 0 | 0 | 114.3 | R651 G715 F716 R721 | R651-N719 PolarHBondContact NH1-OD1 2.88Å; G715-N719 VanDerWaalsContact O-CB 3.29Å; G715-N719 WeakPolarHBondContact O-CB 3.37Å; G715-N719 PolarHBondContact O-N 3.16Å; F716-N719 PolarHBondContact O-OD1 2.91Å; N719-R721 PolarHBondContact O-N 2.96Å; N719-R721 WeakPolarHBondContact OD1-CB 3.49Å; N719-R721 PolarHBondContact OD1-N 2.87Å |
| 720 | G | 93.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 71 Ų | 71 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | trans | 60.4 | 12.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y718 K722 | Y718-G720 PolarHBondContact O-N 2.82Å; G720-K722 PolarHBondContact O-N 3.38Å | ||
| 721 | R | 96.8 | Very high | 97.5 | Very high | 111 Ų | 111 | 69.5 Ų | 69.5 | 42% | 0.419 | 37% | 0.373 | S | S | . | . | trans | -68.3 | 130.7 | -175.8 | -176.6 | 167.9 | 173.3 | -176.1 | -2.5 | 110 | R651 E676 D677 N719 Y723 | R651-R721 PolarHBondContact NH2-O 3.12Å; E676-R721 IonicContact OE1-CZ 3.74Å; E676-R721 IonicContact OE1-NH1 3.21Å; E676-R721 IonicContact OE1-NH2 3.83Å; E676-R721 PolarHBondContact OE1-NH2 3.42Å; D677-R721 IonicContact OD1-CZ 2.63Å; D677-R721 IonicContact OD1-NH1 2.72Å; D677-R721 PolarHBondContact OD1-NH1 2.73Å; D677-R721 WeakPolarHBondContact OD2-CD 3.26Å; D677-R721 IonicContact OD2-CZ 3.95Å; D677-R721 IonicContact OD2-NE 3.7Å; D677-R721 PolarHBondContact OD2-NE 2.78Å; D677-R721 IonicContact OD2-NH1 3.95Å; D677-R721 PolarHBondContact OD2-NH1 2.95Å; D677-R721 IonicContact OD2-NH2 3.06Å; N719-R721 PolarHBondContact O-N 2.96Å; N719-R721 WeakPolarHBondContact OD1-CB 3.49Å; N719-R721 PolarHBondContact OD1-N 2.87Å; R721-Y723 HydrophobicContact CB-CE2 4.21Å; R721-Y723 HydrophobicContact CG-CE1 4.47Å; R721-Y723 HydrophobicContact CG-CE2 4.32Å; R721-Y723 WeakPolarHBondContact O-CD2 3.35Å; R721-Y723 VanDerWaalsContact O-CE2 3.27Å; R721-Y723 WeakPolarHBondContact O-CE2 3.23Å | ||
| 722 | K | 96.7 | Very high | 97.5 | Very high | 179 Ų | 179 | 66.3 Ų | 66.3 | 78% | 0.778 | 36% | 0.356 | S | S | * | . | trans | -84.9 | 141.5 | 173.5 | -63.5 | -172 | 178 | -172.9 | 0 | 110.3 | G720 | G720-K722 PolarHBondContact O-N 3.38Š| ||
| 723 | Y | 98.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 9% | 0.086 | 37% | 0.369 | C | S | . | . | trans | -118.1 | 151.3 | 178.5 | -63.7 | -88.7 | 0 | 0 | 0 | 110.7 | L626 L630 D677 R721 T725 | L626-Y723 HydrophobicContact CD2-CD1 4.24Å; L626-Y723 HydrophobicContact CD2-CD2 3.75Å; L626-Y723 HydrophobicContact CD2-CE1 4.13Å; L626-Y723 HydrophobicContact CD2-CE2 3.61Å; L626-Y723 HydrophobicContact CD2-CG 4.05Å; L626-Y723 HydrophobicContact CG-CD2 4.18Å; L626-Y723 HydrophobicContact CG-CE2 4.48Å; L626-Y723 HydrophobicContact CG-CG 4.4Å; L630-Y723 HydrophobicContact CD1-CD2 3.69Å; L630-Y723 HydrophobicContact CD1-CE2 4.05Å; D677-Y723 HydrophobicContact CB-CE1 4.44Å; D677-Y723 WeakPolarHBondContact CB-OH 3.36Å; D677-Y723 WeakPolarHBondContact OD2-CE1 3.37Å; D677-Y723 PolarHBondContact OD2-OH 2.89Å; R721-Y723 HydrophobicContact CB-CE2 4.21Å; R721-Y723 HydrophobicContact CG-CE1 4.47Å; R721-Y723 HydrophobicContact CG-CE2 4.32Å; R721-Y723 WeakPolarHBondContact O-CD2 3.35Å; R721-Y723 VanDerWaalsContact O-CE2 3.27Å; R721-Y723 WeakPolarHBondContact O-CE2 3.23Å; Y723-T725 PolarHBondContact O-N 3.45Å | ||
| 724 | P | 97.5 | Very high | 97.5 | Very high | 59 Ų | 59 | 70.4 Ų | 70.4 | 38% | 0.383 | 37% | 0.373 | S | S | . | . | trans | -58.2 | 135.2 | 176.7 | -23.6 | 34.1 | 0 | 0 | 0 | 112.6 | G627 Q728 | G627-P724 WeakPolarHBondContact CA-O 3.19Å; P724-Q728 HydrophobicContact CB-CG 4.44Å | ||
| 725 | T | 98.1 | Very high | 97.5 | Very high | 64 Ų | 64 | 67.3 Ų | 67.3 | 39% | 0.393 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -97.9 | -0.5 | 173.8 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | E631 Y723 | E631-T725 HydrophobicContact CB-CG2 3.61Å; E631-T725 HydrophobicContact CG-CG2 3.94Å; Y723-T725 PolarHBondContact O-N 3.45Å |
| 726 | K | 98.4 | Very high | 97.6 | Very high | 160 Ų | 160 | 68.4 Ų | 68.4 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -124.2 | 146.3 | 178.7 | -66.5 | -175.3 | 179.6 | 180 | 0 | 109.7 | ||
| 727 | P | 98.3 | Very high | 97.6 | Very high | 63 Ų | 63 | 73.3 Ų | 73.3 | 41% | 0.409 | 37% | 0.372 | S | S | . | . | trans | -53.6 | 146.5 | 174.7 | -28.7 | 37.1 | 0 | 0 | 0 | 113.5 | S619 S620 Q622 | S619-P727 CarbonylContact O-C 3.59Å; S619-P727 WeakPolarHBondContact O-CA 3.41Å; S620-P727 WeakPolarHBondContact O-CB 3.33Å; Q622-P727 HydrophobicContact CB-CG 3.94Å | ||
| 728 | Q | 97.9 | Very high | 97.6 | Very high | 110 Ų | 110 | 73.3 Ų | 73.3 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | trans | -128.1 | 133.7 | 176.5 | -62.5 | -171 | -10.5 | 0 | 0 | 111.3 | S619 S620 P724 | S619-Q728 PolarHBondContact O-N 2.98Å; S620-Q728 VanDerWaalsContact CA-O 3.26Å; S620-Q728 WeakPolarHBondContact CA-O 3.47Å; S620-Q728 WeakPolarHBondContact CB-O 3.48Å; P724-Q728 HydrophobicContact CB-CG 4.44Å | ||
| 729 | G | 97.3 | Very high | 97.7 | Very high | 64 Ų | 64 | 68 Ų | 68 | 66% | 0.66 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 80.6 | 171.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 730 | D | 98.2 | Very high | 97.9 | Very high | 87 Ų | 87 | 69.9 Ų | 69.9 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | trans | -90.4 | 124.6 | 174.8 | -178.2 | -86.8 | 0 | 0 | 0 | 110.1 | Y732 E733 I734 | D730-Y732 VanDerWaalsContact C-N 3.33Å; D730-Y732 PolarHBondContact O-N 3.42Å; D730-Y732 WeakPolarHBondContact OD1-CA 3.48Å; D730-Y732 WeakPolarHBondContact OD1-CB 3.28Å; D730-Y732 PolarHBondContact OD1-N 3.5Å; D730-E733 HydrophobicContact CB-CB 4.15Å; D730-E733 HydrophobicContact CB-CG 4.12Å; D730-E733 PolarHBondContact OD1-N 2.84Å; D730-I734 WeakPolarHBondContact O-CB 3.38Å; D730-I734 WeakPolarHBondContact O-CD1 3.48Å; D730-I734 VanDerWaalsContact O-CG1 3.24Å; D730-I734 WeakPolarHBondContact O-CG1 3.28Å; D730-I734 PolarHBondContact O-N 3.02Å; D730-I734 VanDerWaalsContact O-N 3.11Å | ||
| 731 | T | 98.3 | Very high | 98.2 | Very high | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | -175.9 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | M559 V569 S620 A735 | M559-T731 HydrophobicContact CE-CG2 3.98Å; V569-T731 HydrophobicContact CG2-CG2 3.52Å; S620-T731 WeakPolarHBondContact CB-OG1 3.41Å; S620-T731 PolarHBondContact O-OG1 3.1Å; S620-T731 WeakPolarHBondContact OG-CA 3.48Å; S620-T731 PolarHBondContact OG-OG1 3.45Å; T731-A735 VanDerWaalsContact O-CB 3.25Å; T731-A735 WeakPolarHBondContact O-CB 3.48Å; T731-A735 PolarHBondContact O-N 3.35Å |
| 732 | Y | 98.4 | Very high | 98.2 | Very high | 52 Ų | 52 | 66 Ų | 66 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71 | -48.3 | -178 | 174.4 | -107.6 | 0 | 0 | 0 | 111.1 | M552 A555 P556 M559 D730 I734 A735 H736 | M552-Y732 HydrophobicContact CE-CE2 4.25Å; A555-Y732 HydrophobicContact CB-CD2 3.76Å; A555-Y732 HydrophobicContact CB-CE2 3.68Å; P556-Y732 HydrophobicContact CG-CE2 4.37Å; M559-Y732 HydrophobicContact CG-CD2 4.08Å; M559-Y732 HydrophobicContact CG-CG 4.16Å; M559-Y732 HydrophobicContact SD-CD2 4.33Å; D730-Y732 VanDerWaalsContact C-N 3.33Å; D730-Y732 PolarHBondContact O-N 3.42Å; D730-Y732 WeakPolarHBondContact OD1-CA 3.48Å; D730-Y732 WeakPolarHBondContact OD1-CB 3.28Å; D730-Y732 PolarHBondContact OD1-N 3.5Å; Y732-I734 VanDerWaalsContact C-N 3.28Å; Y732-I734 PolarHBondContact O-N 3.09Å; Y732-A735 PolarHBondContact O-N 2.9Å; Y732-H736 WeakPolarHBondContact O-CB 3.35Å; Y732-H736 PolarHBondContact O-N 2.93Å |
| 733 | E | 98.5 | Very high | 98.3 | Very high | 115 Ų | 115 | 59.2 Ų | 59.2 | 54% | 0.537 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 179.5 | -67.5 | -58.3 | 141.7 | 0 | 0 | 111.8 | D730 R737 | D730-E733 HydrophobicContact CB-CB 4.15Å; D730-E733 HydrophobicContact CB-CG 4.12Å; D730-E733 PolarHBondContact OD1-N 2.84Å; E733-R737 WeakPolarHBondContact O-CB 3.36Å; E733-R737 PolarHBondContact O-N 2.8Å |
| 734 | I | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -51.4 | 175.9 | -66.4 | 165.7 | 0 | 0 | 0 | 110.7 | R616 L617 D730 Y732 H736 R737 I738 | R616-I734 HydrophobicContact CB-CG2 4.34Å; L617-I734 HydrophobicContact CB-CG2 4.02Å; L617-I734 HydrophobicContact CD1-CG2 4.24Å; D730-I734 WeakPolarHBondContact O-CB 3.38Å; D730-I734 WeakPolarHBondContact O-CD1 3.48Å; D730-I734 VanDerWaalsContact O-CG1 3.24Å; D730-I734 WeakPolarHBondContact O-CG1 3.28Å; D730-I734 PolarHBondContact O-N 3.02Å; D730-I734 VanDerWaalsContact O-N 3.11Å; Y732-I734 VanDerWaalsContact C-N 3.28Å; Y732-I734 PolarHBondContact O-N 3.09Å; I734-H736 VanDerWaalsContact C-N 3.31Å; I734-H736 PolarHBondContact O-N 3.15Å; I734-R737 PolarHBondContact O-N 2.94Å; I734-I738 HydrophobicContact CG2-CD1 3.79Å; I734-I738 VanDerWaalsContact O-CG1 3.27Å; I734-I738 WeakPolarHBondContact O-CG1 3.32Å; I734-I738 PolarHBondContact O-N 2.99Å |
| 735 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M552 L568 L617 T731 Y732 I738 F739 | M552-A735 HydrophobicContact SD-CB 4.2Å; L568-A735 HydrophobicContact CD2-CB 4.09Å; L568-A735 HydrophobicContact CG-CB 4.2Å; L617-A735 HydrophobicContact CD1-CB 4.09Å; T731-A735 VanDerWaalsContact O-CB 3.25Å; T731-A735 WeakPolarHBondContact O-CB 3.48Å; T731-A735 PolarHBondContact O-N 3.35Å; Y732-A735 PolarHBondContact O-N 2.9Å; A735-I738 PolarHBondContact O-N 3.4Å; A735-F739 WeakPolarHBondContact O-CB 3.47Å; A735-F739 PolarHBondContact O-N 3.34Å |
| 736 | H | 98.7 | Very high | 98 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 28% | 0.282 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 177.8 | -176.4 | -115.3 | 0 | 0 | 0 | 112.1 | M552 Y732 I734 I738 F739 L740 | M552-H736 VanDerWaalsContact CE-CA 3.48Å; M552-H736 HydrophobicContact CE-CB 3.79Å; Y732-H736 WeakPolarHBondContact O-CB 3.35Å; Y732-H736 PolarHBondContact O-N 2.93Å; I734-H736 VanDerWaalsContact C-N 3.31Å; I734-H736 PolarHBondContact O-N 3.15Å; H736-I738 VanDerWaalsContact C-N 3.32Å; H736-I738 PolarHBondContact O-N 2.9Å; H736-F739 PolarHBondContact O-N 3.33Å; H736-L740 WeakPolarHBondContact O-CG 3.42Å; H736-L740 PolarHBondContact O-N 3.01Å |
| 737 | R | 98.5 | Very high | 97.9 | Very high | 106 Ų | 106 | 54 Ų | 54 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 172.9 | 180 | -179.7 | 65.6 | -149.6 | -6.5 | 111.7 | E613 E733 I734 F739 K741 | E613-R737 IonicContact OE1-CZ 3.17Å; E613-R737 IonicContact OE1-NE 3.43Å; E613-R737 PolarHBondContact OE1-NE 2.95Å; E613-R737 IonicContact OE1-NH2 2.56Å; E613-R737 PolarHBondContact OE1-NH2 3.3Å; E613-R737 IonicContact OE2-CZ 2.72Å; E613-R737 IonicContact OE2-NE 3.21Å; E613-R737 PolarHBondContact OE2-NE 3.23Å; E613-R737 IonicContact OE2-NH2 3.43Å; E613-R737 PolarHBondContact OE2-NH2 3.42Å; E733-R737 WeakPolarHBondContact O-CB 3.36Å; E733-R737 PolarHBondContact O-N 2.8Å; I734-R737 PolarHBondContact O-N 2.94Å; R737-F739 VanDerWaalsContact C-N 3.35Å; R737-K741 WeakPolarHBondContact O-CB 3.49Å; R737-K741 PolarHBondContact O-N 3.25Å |
| 738 | I | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 176.8 | -69.3 | 168.4 | 0 | 0 | 0 | 110.1 | W548 T572 L576 E613 L617 I734 A735 H736 K741 Y742 | W548-I738 HydrophobicContact CH2-CG2 4.39Å; W548-I738 HydrophobicContact CZ2-CG2 4.07Å; T572-I738 HydrophobicContact CG2-CB 4.38Å; T572-I738 HydrophobicContact CG2-CD1 4.45Å; T572-I738 HydrophobicContact CG2-CG2 3.76Å; L576-I738 HydrophobicContact CD1-CD1 4.26Å; L576-I738 HydrophobicContact CD1-CG2 3.97Å; L576-I738 HydrophobicContact CD2-CG2 3.86Å; L576-I738 HydrophobicContact CG-CG2 4.22Å; E613-I738 HydrophobicContact CB-CD1 4.16Å; E613-I738 HydrophobicContact CB-CG1 4.02Å; E613-I738 HydrophobicContact CG-CG1 4.44Å; L617-I738 HydrophobicContact CB-CD1 3.85Å; L617-I738 HydrophobicContact CD1-CD1 4.31Å; L617-I738 HydrophobicContact CD2-CD1 4.35Å; L617-I738 HydrophobicContact CG-CD1 4.39Å; I734-I738 HydrophobicContact CG2-CD1 3.79Å; I734-I738 VanDerWaalsContact O-CG1 3.27Å; I734-I738 WeakPolarHBondContact O-CG1 3.32Å; I734-I738 PolarHBondContact O-N 2.99Å; A735-I738 PolarHBondContact O-N 3.4Å; H736-I738 VanDerWaalsContact C-N 3.32Å; H736-I738 PolarHBondContact O-N 2.9Å; I738-K741 PolarHBondContact O-N 3.26Å; I738-Y742 HydrophobicContact CG2-CD2 3.88Å; I738-Y742 WeakPolarHBondContact O-CB 3.25Å; I738-Y742 WeakPolarHBondContact O-CD2 3.15Å; I738-Y742 PolarHBondContact O-N 2.83Å |
| 739 | F | 98.8 | Very high | 97.2 | Very high | 31 Ų | 31 | 53.8 Ų | 53.8 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.5 | -53.2 | 179.3 | -179.1 | -99.8 | 0 | 0 | 0 | 112.3 | W548 K549 M552 A735 H736 R737 K741 Y742 Y743 | W548-F739 AromaticContact CD2-CD2 3.78Å; W548-F739 HydrophobicContact CD2-CD2 3.78Å; W548-F739 HydrophobicContact CD2-CE2 4.24Å; W548-F739 AromaticContact CE2-CD2 3.61Å; W548-F739 HydrophobicContact CE3-CD2 4.01Å; W548-F739 HydrophobicContact CE3-CE2 4.3Å; W548-F739 HydrophobicContact CG-CD2 4.42Å; W548-F739 HydrophobicContact CH2-CB 4.33Å; W548-F739 AromaticContact CH2-CD2 3.98Å; W548-F739 HydrophobicContact CH2-CD2 3.98Å; W548-F739 VanDerWaalsContact CZ2-CA 3.47Å; W548-F739 HydrophobicContact CZ2-CB 3.81Å; W548-F739 AromaticContact CZ2-CD2 3.72Å; W548-F739 HydrophobicContact CZ2-CD2 3.72Å; W548-F739 HydrophobicContact CZ2-CG 4.26Å; W548-F739 HydrophobicContact CZ3-CD2 4.11Å; K549-F739 HydrophobicContact CB-CE2 4.04Å; K549-F739 HydrophobicContact CB-CZ 4.07Å; K549-F739 HydrophobicContact CG-CZ 4.13Å; M552-F739 HydrophobicContact CB-CD1 4.5Å; M552-F739 HydrophobicContact CB-CD2 4.24Å; M552-F739 HydrophobicContact CB-CE2 4.31Å; M552-F739 HydrophobicContact CB-CG 4.33Å; M552-F739 HydrophobicContact CB-CZ 4.48Å; M552-F739 HydrophobicContact CE-CB 4.15Å; M552-F739 HydrophobicContact CE-CG 4.48Å; M552-F739 HydrophobicContact CG-CB 4.04Å; M552-F739 HydrophobicContact CG-CD1 4.34Å; M552-F739 HydrophobicContact CG-CD2 3.54Å; M552-F739 HydrophobicContact CG-CE2 4.03Å; M552-F739 HydrophobicContact CG-CG 3.71Å; M552-F739 HydrophobicContact SD-CB 4.17Å; M552-F739 HydrophobicContact SD-CG 4.47Å; A735-F739 WeakPolarHBondContact O-CB 3.47Å; A735-F739 PolarHBondContact O-N 3.34Å; H736-F739 PolarHBondContact O-N 3.33Å; R737-F739 VanDerWaalsContact C-N 3.35Å; F739-K741 PolarHBondContact O-N 3.35Å; F739-K741 VanDerWaalsContact O-N 3.1Å; F739-Y742 PolarHBondContact O-N 3.32Å; F739-Y743 HydrophobicContact CD2-CD2 4.22Å; F739-Y743 HydrophobicContact CD2-CG 4.04Å; F739-Y743 HydrophobicContact CE1-CD1 4.37Å; F739-Y743 HydrophobicContact CE1-CG 4.44Å; F739-Y743 AromaticContact CE2-CD1 3.95Å; F739-Y743 HydrophobicContact CE2-CD1 3.95Å; F739-Y743 AromaticContact CE2-CD2 3.48Å; F739-Y743 HydrophobicContact CE2-CD2 3.48Å; F739-Y743 VanDerWaalsContact CE2-CD2 3.48Å; F739-Y743 HydrophobicContact CE2-CE1 4.5Å; F739-Y743 HydrophobicContact CE2-CE2 4.09Å; F739-Y743 AromaticContact CE2-CG 3.39Å; F739-Y743 HydrophobicContact CE2-CG 3.39Å; F739-Y743 AromaticContact CZ-CD1 3.67Å; F739-Y743 HydrophobicContact CZ-CD1 3.67Å; F739-Y743 HydrophobicContact CZ-CD2 4.05Å; F739-Y743 HydrophobicContact CZ-CE1 4.12Å; F739-Y743 HydrophobicContact CZ-CE2 4.46Å; F739-Y743 AromaticContact CZ-CG 3.63Å; F739-Y743 HydrophobicContact CZ-CG 3.63Å; F739-Y743 WeakPolarHBondContact O-CB 3.41Å; F739-Y743 PolarHBondContact O-N 3.25Å |
| 740 | L | 98.4 | Very high | 96.9 | Very high | 109 Ų | 109 | 51.6 Ų | 51.6 | 57% | 0.571 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -56.9 | -31.2 | 178.9 | -69.8 | 178.9 | 0 | 0 | 0 | 112.8 | H736 P744 | H736-L740 WeakPolarHBondContact O-CG 3.42Å; H736-L740 PolarHBondContact O-N 3.01Å; L740-P744 WeakPolarHBondContact O-CD 3.27Å |
| 741 | K | 97.9 | Very high | 96.3 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -83.7 | -46.4 | -177.4 | -175.3 | 168.4 | -171.5 | 165.1 | 0 | 113.6 | D609 R737 I738 F739 Q745 | D609-K741 WeakPolarHBondContact OD1-CE 3.47Å; D609-K741 IonicContact OD1-NZ 2.92Å; D609-K741 PolarHBondContact OD1-NZ 3.25Å; D609-K741 WeakPolarHBondContact OD2-CE 3.37Å; D609-K741 IonicContact OD2-NZ 2.68Å; D609-K741 PolarHBondContact OD2-NZ 3.43Å; R737-K741 WeakPolarHBondContact O-CB 3.49Å; R737-K741 PolarHBondContact O-N 3.25Å; I738-K741 PolarHBondContact O-N 3.26Å; F739-K741 PolarHBondContact O-N 3.35Å; F739-K741 VanDerWaalsContact O-N 3.1Å; K741-Q745 PolarHBondContact O-NE2 3.34Å |
| 742 | Y | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -104.7 | -22.9 | -166.7 | -68.7 | -72.1 | 0 | 0 | 0 | 113.6 | L576 L579 V605 D609 L610 I738 F739 Q745 A746 | L576-Y742 HydrophobicContact CD2-CD2 4.05Å; L576-Y742 HydrophobicContact CD2-CE2 4.46Å; L576-Y742 HydrophobicContact CD2-CG 4.26Å; L579-Y742 HydrophobicContact CD1-CD1 4.2Å; L579-Y742 HydrophobicContact CD1-CG 4.26Å; V605-Y742 HydrophobicContact CG1-CE1 4.38Å; D609-Y742 PolarHBondContact OD1-OH 3.5Å; D609-Y742 PolarHBondContact OD2-OH 2.77Å; L610-Y742 VanDerWaalsContact CA-OH 3.28Å; L610-Y742 WeakPolarHBondContact CA-OH 3.38Å; L610-Y742 HydrophobicContact CB-CE1 4.34Å; L610-Y742 HydrophobicContact CD1-CE1 4.31Å; L610-Y742 PolarHBondContact N-OH 3.37Å; L610-Y742 VanDerWaalsContact N-OH 3.15Å; I738-Y742 HydrophobicContact CG2-CD2 3.88Å; I738-Y742 WeakPolarHBondContact O-CB 3.25Å; I738-Y742 WeakPolarHBondContact O-CD2 3.15Å; I738-Y742 PolarHBondContact O-N 2.83Å; F739-Y742 PolarHBondContact O-N 3.32Å; Y742-Q745 PolarHBondContact O-N 3.39Å; Y742-A746 WeakPolarHBondContact O-CB 3.38Å; Y742-A746 PolarHBondContact O-N 2.91Å |
| 743 | Y | 98.4 | Very high | 94.8 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 14% | 0.137 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 176.4 | -176 | -103.2 | 0 | 0 | 0 | 112.8 | F545 W548 K549 F739 Q745 A746 M747 | F545-Y743 HydrophobicContact CB-CE2 4.27Å; F545-Y743 WeakPolarHBondContact O-CE2 3.27Å; W548-Y743 AromaticContact CE3-CD2 3.73Å; W548-Y743 HydrophobicContact CE3-CD2 3.73Å; W548-Y743 AromaticContact CZ3-CD2 3.93Å; W548-Y743 HydrophobicContact CZ3-CD2 3.93Å; W548-Y743 HydrophobicContact CZ3-CG 4.33Å; K549-Y743 HydrophobicContact CB-CE2 3.9Å; K549-Y743 HydrophobicContact CD-CE1 4.2Å; K549-Y743 WeakPolarHBondContact CD-OH 3.43Å; F739-Y743 HydrophobicContact CD2-CD2 4.22Å; F739-Y743 HydrophobicContact CD2-CG 4.04Å; F739-Y743 HydrophobicContact CE1-CD1 4.37Å; F739-Y743 HydrophobicContact CE1-CG 4.44Å; F739-Y743 AromaticContact CE2-CD1 3.95Å; F739-Y743 HydrophobicContact CE2-CD1 3.95Å; F739-Y743 AromaticContact CE2-CD2 3.48Å; F739-Y743 HydrophobicContact CE2-CD2 3.48Å; F739-Y743 VanDerWaalsContact CE2-CD2 3.48Å; F739-Y743 HydrophobicContact CE2-CE1 4.5Å; F739-Y743 HydrophobicContact CE2-CE2 4.09Å; F739-Y743 AromaticContact CE2-CG 3.39Å; F739-Y743 HydrophobicContact CE2-CG 3.39Å; F739-Y743 AromaticContact CZ-CD1 3.67Å; F739-Y743 HydrophobicContact CZ-CD1 3.67Å; F739-Y743 HydrophobicContact CZ-CD2 4.05Å; F739-Y743 HydrophobicContact CZ-CE1 4.12Å; F739-Y743 HydrophobicContact CZ-CE2 4.46Å; F739-Y743 AromaticContact CZ-CG 3.63Å; F739-Y743 HydrophobicContact CZ-CG 3.63Å; F739-Y743 WeakPolarHBondContact O-CB 3.41Å; F739-Y743 PolarHBondContact O-N 3.25Å; Y743-Q745 VanDerWaalsContact C-N 3.26Å; Y743-Q745 PolarHBondContact O-N 2.98Å; Y743-A746 WeakPolarHBondContact O-CB 3.31Å; Y743-A746 PolarHBondContact O-N 2.94Å; Y743-M747 HydrophobicContact CD1-CG 4.23Å; Y743-M747 HydrophobicContact CD2-CG 4.47Å; Y743-M747 HydrophobicContact CE1-CG 3.81Å; Y743-M747 HydrophobicContact CE1-SD 4.5Å; Y743-M747 HydrophobicContact CE2-CG 4.09Å; Y743-M747 HydrophobicContact CE2-SD 3.97Å; Y743-M747 WeakPolarHBondContact O-CG 3.12Å; Y743-M747 PolarHBondContact O-N 2.93Å |
| 744 | P | 97.6 | Very high | 93.8 | Very high | 74 Ų | 74 | 59 Ų | 59 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -35.3 | 175.5 | -23.6 | 35 | 0 | 0 | 0 | 113 | L740 K748 | L740-P744 WeakPolarHBondContact O-CD 3.27Å; P744-K748 WeakPolarHBondContact O-CB 3.42Å; P744-K748 PolarHBondContact O-N 2.88Å |
| 745 | Q | 94.5 | Very high | 92.6 | Very high | 62 Ų | 62 | 64 Ų | 64 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69 | -42.5 | 176.9 | -62.3 | -178.7 | 46.2 | 0 | 0 | 111.4 | K741 Y742 Y743 K748 R749 | K741-Q745 PolarHBondContact O-NE2 3.34Å; Y742-Q745 PolarHBondContact O-N 3.39Å; Y743-Q745 VanDerWaalsContact C-N 3.26Å; Y743-Q745 PolarHBondContact O-N 2.98Å; Q745-K748 PolarHBondContact O-N 3.1Å; Q745-R749 WeakPolarHBondContact O-CG 3.41Å; Q745-R749 PolarHBondContact O-N 3.22Å |
| 746 | A | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | F545 L579 Y742 Y743 R749 L750 | F545-A746 HydrophobicContact CD1-CB 4.49Å; F545-A746 HydrophobicContact CD2-CB 3.73Å; F545-A746 HydrophobicContact CE1-CB 4.41Å; F545-A746 HydrophobicContact CE2-CB 3.65Å; F545-A746 HydrophobicContact CG-CB 4.2Å; F545-A746 HydrophobicContact CZ-CB 4Å; L579-A746 HydrophobicContact CD2-CB 4.07Å; Y742-A746 WeakPolarHBondContact O-CB 3.38Å; Y742-A746 PolarHBondContact O-N 2.91Å; Y743-A746 WeakPolarHBondContact O-CB 3.31Å; Y743-A746 PolarHBondContact O-N 2.94Å; A746-R749 PolarHBondContact O-N 2.95Å; A746-L750 PolarHBondContact O-N 2.85Å; A746-L750 VanDerWaalsContact O-N 3.13Å |
| 747 | M | 96 | Very high | 89.4 | Confident | 60 Ų | 60 | 70.5 Ų | 70.5 | 30% | 0.296 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 177.3 | -64.7 | -51.1 | -61.4 | 0 | 0 | 112.8 | F545 Y743 R749 L750 Q751 | F545-M747 HydrophobicContact CB-SD 4.4Å; Y743-M747 HydrophobicContact CD1-CG 4.23Å; Y743-M747 HydrophobicContact CD2-CG 4.47Å; Y743-M747 HydrophobicContact CE1-CG 3.81Å; Y743-M747 HydrophobicContact CE1-SD 4.5Å; Y743-M747 HydrophobicContact CE2-CG 4.09Å; Y743-M747 HydrophobicContact CE2-SD 3.97Å; Y743-M747 WeakPolarHBondContact O-CG 3.12Å; Y743-M747 PolarHBondContact O-N 2.93Å; M747-R749 VanDerWaalsContact C-N 3.31Å; M747-R749 PolarHBondContact O-N 3.06Å; M747-L750 HydrophobicContact CE-CD1 4.28Å; M747-L750 PolarHBondContact O-N 2.89Å; M747-L750 HydrophobicContact SD-CD1 4.09Å; M747-Q751 WeakPolarHBondContact O-CG 3.5Å; M747-Q751 PolarHBondContact O-N 3.39Å; M747-Q751 VanDerWaalsContact O-N 3.13Å |
| 748 | K | 92.9 | Very high | 87.3 | Confident | 125 Ų | 125 | 70 Ų | 70 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 175.5 | -175.8 | -178.4 | 178.2 | -176.1 | 0 | 111.8 | P744 Q745 Q751 Q752 | P744-K748 WeakPolarHBondContact O-CB 3.42Å; P744-K748 PolarHBondContact O-N 2.88Å; Q745-K748 PolarHBondContact O-N 3.1Å; K748-Q751 PolarHBondContact O-N 3.22Å; K748-Q752 WeakPolarHBondContact O-CG 3.36Å; K748-Q752 PolarHBondContact O-N 2.95Å; K748-Q752 VanDerWaalsContact O-N 3.11Å |
| 749 | R | 89.9 | Confident | 85 | Confident | 43 Ų | 43 | 76 Ų | 76 | 16% | 0.162 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 177.6 | -73.6 | -179.7 | -177 | -83.4 | 3.6 | 112.1 | D586 Q745 A746 M747 Q752 M753 | D586-R749 IonicContact OD1-NH1 2.71Å; D586-R749 PolarHBondContact OD1-NH1 3.43Å; D586-R749 IonicContact OD2-CZ 2.74Å; D586-R749 IonicContact OD2-NH1 3.6Å; D586-R749 PolarHBondContact OD2-NH1 3.1Å; D586-R749 IonicContact OD2-NH2 3.28Å; D586-R749 PolarHBondContact OD2-NH2 3.44Å; Q745-R749 WeakPolarHBondContact O-CG 3.41Å; Q745-R749 PolarHBondContact O-N 3.22Å; A746-R749 PolarHBondContact O-N 2.95Å; M747-R749 VanDerWaalsContact C-N 3.31Å; M747-R749 PolarHBondContact O-N 3.06Å; R749-Q752 PolarHBondContact O-N 3.46Å; R749-M753 WeakPolarHBondContact O-CG 3.31Å; R749-M753 PolarHBondContact O-N 3.28Å |
| 750 | L | 90.1 | Very high | 82 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 174 | -74 | 178.4 | 0 | 0 | 0 | 111.7 | P541 A542 F545 A746 M747 Q752 M753 E754 | P541-L750 HydrophobicContact CB-CD2 4.18Å; A542-L750 HydrophobicContact CB-CD1 3.84Å; A542-L750 HydrophobicContact CB-CD2 4.46Å; F545-L750 HydrophobicContact CD2-CD1 3.55Å; F545-L750 HydrophobicContact CD2-CG 4.03Å; F545-L750 HydrophobicContact CE2-CD1 4.04Å; F545-L750 HydrophobicContact CE2-CD2 4.32Å; F545-L750 HydrophobicContact CE2-CG 4.01Å; A746-L750 PolarHBondContact O-N 2.85Å; A746-L750 VanDerWaalsContact O-N 3.13Å; M747-L750 HydrophobicContact CE-CD1 4.28Å; M747-L750 PolarHBondContact O-N 2.89Å; M747-L750 HydrophobicContact SD-CD1 4.09Å; L750-Q752 VanDerWaalsContact C-N 3.3Å; L750-Q752 PolarHBondContact O-N 2.95Å; L750-M753 WeakPolarHBondContact O-CB 3.41Å; L750-M753 PolarHBondContact O-N 2.99Å; L750-M753 VanDerWaalsContact O-N 3.08Å; L750-E754 PolarHBondContact O-N 2.96Å |
| 751 | Q | 86.9 | Confident | 79.2 | Confident | 109 Ų | 109 | 79.2 Ų | 79.2 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 177.5 | -69.6 | 171.2 | -14 | 0 | 0 | 111.9 | M747 K748 M753 E754 E755 | M747-Q751 WeakPolarHBondContact O-CG 3.5Å; M747-Q751 PolarHBondContact O-N 3.39Å; M747-Q751 VanDerWaalsContact O-N 3.13Å; K748-Q751 PolarHBondContact O-N 3.22Å; Q751-M753 VanDerWaalsContact C-N 3.32Å; Q751-M753 PolarHBondContact O-N 2.63Å; Q751-E754 PolarHBondContact O-N 2.92Å; Q751-E755 WeakPolarHBondContact O-CG 3.24Å; Q751-E755 PolarHBondContact O-N 3.43Å |
| 752 | Q | 84.4 | Confident | 76.3 | Confident | 83 Ų | 83 | 82.9 Ų | 82.9 | 39% | 0.388 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 176.9 | -70.4 | 175.4 | -26.7 | 0 | 0 | 112.9 | K748 R749 L750 N756 | K748-Q752 WeakPolarHBondContact O-CG 3.36Å; K748-Q752 PolarHBondContact O-N 2.95Å; K748-Q752 VanDerWaalsContact O-N 3.11Å; R749-Q752 PolarHBondContact O-N 3.46Å; L750-Q752 VanDerWaalsContact C-N 3.3Å; L750-Q752 PolarHBondContact O-N 2.95Å; Q752-N756 WeakPolarHBondContact O-CB 3.41Å; Q752-N756 VanDerWaalsContact O-CG 3.22Å; Q752-N756 PolarHBondContact O-N 3.37Å; Q752-N756 PolarHBondContact O-ND2 3.11Å |
| 753 | M | 79.9 | Confident | 73.5 | Confident | 102 Ų | 102 | 92.1 Ų | 92.1 | 50% | 0.502 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 174.8 | -73 | 176.2 | 155.9 | 0 | 0 | 111.9 | R749 L750 Q751 S757 | R749-M753 WeakPolarHBondContact O-CG 3.31Å; R749-M753 PolarHBondContact O-N 3.28Å; L750-M753 WeakPolarHBondContact O-CB 3.41Å; L750-M753 PolarHBondContact O-N 2.99Å; L750-M753 VanDerWaalsContact O-N 3.08Å; Q751-M753 VanDerWaalsContact C-N 3.32Å; Q751-M753 PolarHBondContact O-N 2.63Å; M753-S757 WeakPolarHBondContact O-CB 3.37Å; M753-S757 PolarHBondContact O-N 3.03Å; M753-S757 PolarHBondContact O-OG 2.72Å |
| 754 | E | 77 | Confident | 72.2 | Confident | 123 Ų | 123 | 95 Ų | 95 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.5 | -42.1 | 175 | -69.7 | 174.1 | 178.8 | 0 | 0 | 111.8 | L750 Q751 S757 S758 | L750-E754 PolarHBondContact O-N 2.96Å; Q751-E754 PolarHBondContact O-N 2.92Å; E754-S757 WeakPolarHBondContact CA-OG 2.91Å; E754-S757 PolarHBondContact O-N 3.4Å; E754-S757 PolarHBondContact O-OG 2.76Å; E754-S758 WeakPolarHBondContact O-CB 3.41Å; E754-S758 PolarHBondContact O-N 2.98Å; E754-S758 PolarHBondContact O-OG 2.72Å |
| 755 | E | 73.3 | Confident | 70.9 | Confident | 118 Ų | 118 | 96.1 Ų | 96.1 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 175 | -73.3 | 174.3 | -177.4 | 0 | 0 | 111.8 | Q751 S758 I759 | Q751-E755 WeakPolarHBondContact O-CG 3.24Å; Q751-E755 PolarHBondContact O-N 3.43Å; E755-S758 WeakPolarHBondContact CA-OG 3.41Å; E755-S758 PolarHBondContact O-N 2.56Å; E755-S758 PolarHBondContact O-OG 3.17Å; E755-I759 VanDerWaalsContact O-CD1 3.25Å; E755-I759 WeakPolarHBondContact O-CD1 3.32Å; E755-I759 WeakPolarHBondContact O-CG1 3.4Å; E755-I759 PolarHBondContact O-N 3.27Å |
| 756 | N | 69.5 | Low | 69.6 | Low | 114 Ų | 114 | 97.9 Ų | 97.9 | 61% | 0.61 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.5 | -31.9 | 179.6 | -73 | -25.2 | 0 | 0 | 0 | 113.3 | Q752 | Q752-N756 WeakPolarHBondContact O-CB 3.41Å; Q752-N756 VanDerWaalsContact O-CG 3.22Å; Q752-N756 PolarHBondContact O-N 3.37Å; Q752-N756 PolarHBondContact O-ND2 3.11Å |
| 757 | S | 62 | Low | 68.1 | Low | 84 Ų | 84 | 103.7 Ų | 103.7 | 59% | 0.587 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -75.3 | -30.2 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | M753 E754 I759 | M753-S757 WeakPolarHBondContact O-CB 3.37Å; M753-S757 PolarHBondContact O-N 3.03Å; M753-S757 PolarHBondContact O-OG 2.72Å; E754-S757 WeakPolarHBondContact CA-OG 2.91Å; E754-S757 PolarHBondContact O-N 3.4Å; E754-S757 PolarHBondContact O-OG 2.76Å; S757-I759 VanDerWaalsContact C-N 3.31Å; S757-I759 PolarHBondContact O-N 2.99Å |
| 758 | S | 53.9 | Low | 66.4 | Low | 96 Ų | 96 | 106.4 Ų | 106.4 | 67% | 0.671 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -76.6 | -12.3 | 174.4 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | E754 E755 | E754-S758 WeakPolarHBondContact O-CB 3.41Å; E754-S758 PolarHBondContact O-N 2.98Å; E754-S758 PolarHBondContact O-OG 2.72Å; E755-S758 WeakPolarHBondContact CA-OG 3.41Å; E755-S758 PolarHBondContact O-N 2.56Å; E755-S758 PolarHBondContact O-OG 3.17Å |
| 759 | I | 50.4 | Low | 64.6 | Low | 128 Ų | 128 | 105.2 Ų | 105.2 | 66% | 0.656 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -4.6 | 178.4 | -64.2 | 165.4 | 0 | 0 | 0 | 112.8 | E755 S757 P761 | E755-I759 VanDerWaalsContact O-CD1 3.25Å; E755-I759 WeakPolarHBondContact O-CD1 3.32Å; E755-I759 WeakPolarHBondContact O-CG1 3.4Å; E755-I759 PolarHBondContact O-N 3.27Å; S757-I759 VanDerWaalsContact C-N 3.31Å; S757-I759 PolarHBondContact O-N 2.99Å; I759-P761 VanDerWaalsContact O-CD 3.27Å; I759-P761 WeakPolarHBondContact O-CD 3.5Å |
| 760 | S | 36 | Very low | 62.8 | Low | 89 Ų | 89 | 109.6 Ų | 109.6 | 62% | 0.622 | 62% | 0.615 | S | S | * | * | trans | -86.2 | 109.1 | 170.6 | -75.6 | 0 | 0 | 0 | 0 | 110.9 | I762 | S760-I762 PolarHBondContact O-N 2.87Š| ||
| 761 | P | 40.4 | Very low | 60.7 | Low | 118 Ų | 118 | 116.6 Ų | 116.6 | 77% | 0.766 | 65% | 0.654 | S | S | * | * | trans | -68.7 | 128.3 | 163.4 | 11.7 | 3.4 | 0 | 0 | 0 | 107.3 | I759 | I759-P761 VanDerWaalsContact O-CD 3.27Å; I759-P761 WeakPolarHBondContact O-CD 3.5Å | ||
| 762 | I | 37 | Very low | 58.5 | Low | 159 Ų | 159 | 117.3 Ų | 117.3 | 82% | 0.815 | 67% | 0.667 | S | S | * | * | trans | -50.8 | 132.9 | 168.5 | -57.3 | 169.7 | 0 | 0 | 0 | 107.9 | S760 | S760-I762 PolarHBondContact O-N 2.87Š| ||
| 763 | P | 38.5 | Very low | 56.2 | Low | 193 Ų | 193 | 120.4 Ų | 120.4 | 100% | 1.253 | 69% | 0.692 | S | S | * | * | trans | -62.5 | 0 | 175.1 | 25.2 | -32.3 | 0 | 0 | 0 | 113 |
Retrieved 763 of 763 residues in 488.8 ms
(Link to these results)