| 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 | 38.7 | Very low | 55.7 | Low | 230 Ų | 230 | 145 Ų | 145 | 100% | 1.133 | 78% | 0.781 | S | S | * | * | 0 | 145.3 | 0 | -81.3 | 177.7 | 148.1 | 0 | 0 | 107.9 | |||||
| 2 | H | 39.7 | Very low | 57.5 | Low | 155 Ų | 155 | 137.5 Ų | 137.5 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | trans | 37.1 | 88.9 | 173.2 | -60.2 | -72.5 | 0 | 0 | 0 | 117.3 | E4 | H2-E4 HydrophobicContact CB-CG 4.38Å; H2-E4 PolarHBondContact O-N 3.18Å | ||
| 3 | S | 39.2 | Very low | 59 | Low | 133 Ų | 133 | 141.2 Ų | 141.2 | 93% | 0.93 | 75% | 0.746 | S | S | * | * | trans | -81.3 | 85.2 | 150.2 | -57.1 | 0 | 0 | 0 | 0 | 108 | A5 | S3-A5 PolarHBondContact O-N 2.9Š| ||
| 4 | E | 40.7 | Very low | 60.1 | Low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 72% | 0.723 | S | S | * | * | trans | -80.3 | 102.1 | 169.6 | -77.3 | 176.1 | 146.2 | 0 | 0 | 109 | H2 | H2-E4 HydrophobicContact CB-CG 4.38Å; H2-E4 PolarHBondContact O-N 3.18Å | ||
| 5 | A | 45.4 | Very low | 60.8 | Low | 84 Ų | 84 | 135 Ų | 135 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | trans | -74.1 | 130.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S3 E7 | S3-A5 PolarHBondContact O-N 2.9Å; A5-E7 VanDerWaalsContact C-N 3.29Å; A5-E7 PolarHBondContact O-N 3.02Å | ||
| 6 | N | 48.1 | Very low | 61.5 | Low | 157 Ų | 157 | 133.9 Ų | 133.9 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | trans | -71.5 | 85.4 | 174.9 | -78.7 | -44.5 | 0 | 0 | 0 | 110.1 | K8 | N6-K8 PolarHBondContact O-N 3.4Š| ||
| 7 | E | 55.2 | Low | 62 | Low | 183 Ų | 183 | 130.1 Ų | 130.1 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | trans | -65.5 | 97 | 167.9 | -69.5 | -170.1 | 142.9 | 0 | 0 | 109.4 | A5 T9 | A5-E7 VanDerWaalsContact C-N 3.29Å; A5-E7 PolarHBondContact O-N 3.02Å; E7-T9 PolarHBondContact O-N 3.34Å | ||
| 8 | K | 73.4 | Confident | 62.5 | Low | 187 Ų | 187 | 132.9 Ų | 132.9 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -77.5 | 98 | 169.3 | -71.8 | -172.6 | 175.5 | -173.3 | 0 | 109 | N6 V10 | N6-K8 PolarHBondContact O-N 3.4Å; K8-V10 PolarHBondContact O-N 3.48Å | ||
| 9 | T | 78.2 | Confident | 62.8 | Low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | -60.3 | 122.3 | 168 | -48 | 0 | 0 | 0 | 0 | 109.7 | E7 V11 | E7-T9 PolarHBondContact O-N 3.34Å; T9-V11 HydrophobicContact CG2-CG2 4.49Å | ||
| 10 | V | 74.3 | Confident | 62.9 | Low | 42 Ų | 42 | 136.3 Ų | 136.3 | 26% | 0.255 | 73% | 0.727 | S | S | . | * | trans | -101.2 | 128.4 | 170.1 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | K8 F12 H34 | K8-V10 PolarHBondContact O-N 3.48Å; V10-F12 HydrophobicContact CB-CE2 4.23Å; V10-F12 HydrophobicContact CB-CZ 4.11Å; V10-F12 HydrophobicContact CG1-CD1 4.2Å; V10-F12 HydrophobicContact CG1-CD2 4.39Å; V10-F12 HydrophobicContact CG1-CE1 3.6Å; V10-F12 HydrophobicContact CG1-CE2 3.81Å; V10-F12 HydrophobicContact CG1-CZ 3.39Å; V10-H34 HydrophobicContact CG1-CB 4.45Å | ||
| 11 | V | 79.5 | Confident | 62.8 | Low | 130 Ų | 130 | 131.6 Ų | 131.6 | 79% | 0.788 | 71% | 0.711 | S | S | * | * | trans | -106.8 | 129.3 | 174.4 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | T9 | T9-V11 HydrophobicContact CG2-CG2 4.49Š| ||
| 12 | F | 78.2 | Confident | 63.5 | Low | 55 Ų | 55 | 126.3 Ų | 126.3 | 24% | 0.241 | 70% | 0.696 | C | S | . | * | trans | -107.9 | 126.4 | 176.3 | -55.8 | -79.8 | 0 | 0 | 0 | 109.1 | V10 I14 Y27 L30 F31 H34 | V10-F12 HydrophobicContact CB-CE2 4.23Å; V10-F12 HydrophobicContact CB-CZ 4.11Å; V10-F12 HydrophobicContact CG1-CD1 4.2Å; V10-F12 HydrophobicContact CG1-CD2 4.39Å; V10-F12 HydrophobicContact CG1-CE1 3.6Å; V10-F12 HydrophobicContact CG1-CE2 3.81Å; V10-F12 HydrophobicContact CG1-CZ 3.39Å; F12-I14 HydrophobicContact CB-CG1 4.36Å; F12-I14 PolarHBondContact O-N 2.75Å; F12-Y27 HydrophobicContact CE2-CD2 4.14Å; F12-Y27 AromaticContact CE2-CE2 3.91Å; F12-Y27 HydrophobicContact CE2-CE2 3.91Å; F12-Y27 HydrophobicContact CZ-CE2 4.37Å; F12-L30 HydrophobicContact CB-CD1 4.3Å; F12-L30 HydrophobicContact CD1-CB 3.73Å; F12-L30 VanDerWaalsContact CE1-C 3.46Å; F12-L30 HydrophobicContact CE1-CB 3.85Å; F12-L30 WeakPolarHBondContact CE1-O 3.34Å; F12-L30 HydrophobicContact CG-CB 4.21Å; F12-L30 HydrophobicContact CG-CD1 4.41Å; F12-L30 HydrophobicContact CZ-CB 4.43Å; F12-F31 HydrophobicContact CZ-CB 4.11Å; F12-F31 HydrophobicContact CZ-CD2 4.17Å; F12-H34 HydrophobicContact CE1-CB 3.91Å | ||
| 13 | E | 76.9 | Confident | 64.7 | Low | 185 Ų | 185 | 123 Ų | 123 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | trans | -87.6 | 105.2 | 171.9 | -170.6 | 163.9 | -140 | 0 | 0 | 108.1 | S15 | E13-S15 PolarHBondContact O-N 3.33Š| ||
| 14 | I | 74.5 | Confident | 66 | Low | 83 Ų | 83 | 125 Ų | 125 | 43% | 0.426 | 68% | 0.675 | S | S | . | * | trans | -96.6 | 94 | -176.4 | -54 | 176.5 | 0 | 0 | 0 | 108.2 | F12 L16 C25 L30 | F12-I14 HydrophobicContact CB-CG1 4.36Å; F12-I14 PolarHBondContact O-N 2.75Å; I14-L16 VanDerWaalsContact C-N 3.29Å; I14-L16 HydrophobicContact CG2-CD2 4.27Å; I14-L16 HydrophobicContact CG2-CG 4.22Å; I14-L16 PolarHBondContact O-N 2.79Å; I14-C25 HydrophobicContact CG2-CB 4.3Å; I14-L30 HydrophobicContact CD1-CD1 4.08Å; I14-L30 HydrophobicContact CG1-CD1 4.14Å | ||
| 15 | S | 70.6 | Confident | 67.3 | Low | 107 Ų | 107 | 120.2 Ų | 120.2 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | trans | -70.6 | 83.3 | 173 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | E13 P17 | E13-S15 PolarHBondContact O-N 3.33Å; S15-P17 WeakPolarHBondContact O-CD 3.4Å | ||
| 16 | L | 70.8 | Confident | 68.6 | Low | 117 Ų | 117 | 118.7 Ų | 118.7 | 61% | 0.613 | 64% | 0.644 | S | S | * | * | trans | -66.3 | 122.9 | 166.3 | -67.2 | 170.2 | 0 | 0 | 0 | 108.8 | I14 H23 | I14-L16 VanDerWaalsContact C-N 3.29Å; I14-L16 HydrophobicContact CG2-CD2 4.27Å; I14-L16 HydrophobicContact CG2-CG 4.22Å; I14-L16 PolarHBondContact O-N 2.79Å; L16-H23 HydrophobicContact CD2-CB 3.88Å | ||
| 17 | P | 71 | Confident | 70 | Confident | 70 Ų | 70 | 118 Ų | 118 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | trans | -64.3 | 152.8 | 166.1 | -19.1 | 33.7 | 0 | 0 | 0 | 110.8 | S15 D19 | S15-P17 WeakPolarHBondContact O-CD 3.4Å; P17-D19 HydrophobicContact CB-CB 4.27Å; P17-D19 PolarHBondContact O-N 2.76Å | ||
| 18 | D | 71.5 | Confident | 71.2 | Confident | 180 Ų | 180 | 115.2 Ų | 115.2 | 96% | 0.963 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -73.5 | 14.8 | 171.4 | -61.2 | -56.6 | 0 | 0 | 0 | 113.4 | ||
| 19 | D | 67.9 | Low | 71.4 | Confident | 128 Ų | 128 | 112.9 Ų | 112.9 | 68% | 0.684 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -86.6 | 136.3 | 176.5 | -143 | -9 | 0 | 0 | 0 | 108 | P17 G21 | P17-D19 HydrophobicContact CB-CB 4.27Å; P17-D19 PolarHBondContact O-N 2.76Å; D19-G21 PolarHBondContact O-N 3.17Å |
| 20 | E | 64.4 | Low | 71.6 | Confident | 205 Ų | 205 | 108.6 Ų | 108.6 | 96% | 0.958 | 59% | 0.585 | S | S | * | * | trans | -74.7 | 30.5 | -178.2 | -64.8 | -163.9 | 165 | 0 | 0 | 113.3 | ||||
| 21 | G | 61.8 | Low | 71.9 | Confident | 39 Ų | 39 | 110.1 Ų | 110.1 | 40% | 0.402 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -71.6 | 143.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D19 H23 | D19-G21 PolarHBondContact O-N 3.17Å; G21-H23 VanDerWaalsContact C-N 3.28Å; G21-H23 PolarHBondContact O-CD2 3.29Å; G21-H23 PolarHBondContact O-N 3.24Å |
| 22 | C | 52 | Low | 71.8 | Confident | 119 Ų | 119 | 109.4 Ų | 109.4 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | trans | -73.4 | 85.3 | 171 | -163.8 | 0 | 0 | 0 | 0 | 109.5 | E24 | C22-E24 VanDerWaalsContact C-N 3.3Å; C22-E24 PolarHBondContact O-N 3.08Å | ||
| 23 | H | 64.5 | Low | 71.7 | Confident | 84 Ų | 84 | 113 Ų | 113 | 39% | 0.389 | 59% | 0.593 | S | S | . | * | trans | -76.3 | 76.1 | -177.4 | -70.9 | -67.5 | 0 | 0 | 0 | 111.8 | L16 G21 C25 | L16-H23 HydrophobicContact CD2-CB 3.88Å; G21-H23 VanDerWaalsContact C-N 3.28Å; G21-H23 PolarHBondContact O-CD2 3.29Å; G21-H23 PolarHBondContact O-N 3.24Å; H23-C25 PolarHBondContact O-N 3.16Å | ||
| 24 | E | 67 | Low | 71.8 | Confident | 175 Ų | 175 | 107.1 Ų | 107.1 | 82% | 0.818 | 57% | 0.566 | S | S | * | * | trans | -65.9 | 96.6 | 174.1 | -68.9 | -171.7 | -178.8 | 0 | 0 | 111.6 | C22 | C22-E24 VanDerWaalsContact C-N 3.3Å; C22-E24 PolarHBondContact O-N 3.08Å | ||
| 25 | C | 67.5 | Low | 71.9 | Confident | 65 Ų | 65 | 107.5 Ų | 107.5 | 44% | 0.439 | 57% | 0.568 | S | S | . | * | trans | -92.5 | 108.7 | 173.1 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | I14 H23 Y27 L30 | I14-C25 HydrophobicContact CG2-CB 4.3Å; H23-C25 PolarHBondContact O-N 3.16Å; C25-Y27 PolarHBondContact O-N 3.46Å; C25-L30 HydrophobicContact CB-CD1 4.35Å | ||
| 26 | S | 74.1 | Confident | 72.1 | Confident | 53 Ų | 53 | 107.4 Ų | 107.4 | 37% | 0.371 | 56% | 0.556 | S | S | . | * | trans | -73.3 | 120.2 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | L28 E29 L30 | S26-L28 PolarHBondContact O-N 2.88Å; S26-L28 PolarHBondContact OG-N 3Å; S26-E29 PolarHBondContact O-N 3.22Å; S26-L30 PolarHBondContact O-N 3.16Å | ||
| 27 | Y | 76.9 | Confident | 71.9 | Confident | 142 Ų | 142 | 104.6 Ų | 104.6 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -54.4 | -37.1 | 172.2 | 164.4 | -96.8 | 0 | 0 | 0 | 112.3 | F12 C25 E29 F31 | F12-Y27 HydrophobicContact CE2-CD2 4.14Å; F12-Y27 AromaticContact CE2-CE2 3.91Å; F12-Y27 HydrophobicContact CE2-CE2 3.91Å; F12-Y27 HydrophobicContact CZ-CE2 4.37Å; C25-Y27 PolarHBondContact O-N 3.46Å; Y27-E29 VanDerWaalsContact C-N 3.32Å; Y27-E29 PolarHBondContact O-N 3Å; Y27-F31 HydrophobicContact CE2-CB 4.45Å; Y27-F31 WeakPolarHBondContact O-CB 3.3Å; Y27-F31 PolarHBondContact O-N 3.2Å |
| 28 | L | 79.7 | Confident | 71.9 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 178.3 | -72.7 | 166.7 | 0 | 0 | 0 | 111.6 | S26 Q32 | S26-L28 PolarHBondContact O-N 2.88Å; S26-L28 PolarHBondContact OG-N 3Å; L28-Q32 WeakPolarHBondContact O-CB 3.45Å; L28-Q32 PolarHBondContact O-N 2.83Å |
| 29 | E | 79 | Confident | 71.4 | Confident | 138 Ų | 138 | 104 Ų | 104 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.5 | -43.7 | -179.5 | -168.8 | 165.6 | -148.6 | 0 | 0 | 111.5 | S26 Y27 F31 Q32 Q33 | S26-E29 PolarHBondContact O-N 3.22Å; Y27-E29 VanDerWaalsContact C-N 3.32Å; Y27-E29 PolarHBondContact O-N 3Å; E29-F31 PolarHBondContact O-N 2.89Å; E29-Q32 PolarHBondContact O-N 2.79Å; E29-Q33 WeakPolarHBondContact O-CB 3.34Å; E29-Q33 PolarHBondContact O-N 3.12Å |
| 30 | L | 81.8 | Confident | 71 | Confident | 39 Ų | 39 | 104.1 Ų | 104.1 | 20% | 0.204 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 171.1 | -70.6 | 173.4 | 0 | 0 | 0 | 111.7 | F12 I14 C25 S26 Q32 Q33 H34 | F12-L30 HydrophobicContact CB-CD1 4.3Å; F12-L30 HydrophobicContact CD1-CB 3.73Å; F12-L30 VanDerWaalsContact CE1-C 3.46Å; F12-L30 HydrophobicContact CE1-CB 3.85Å; F12-L30 WeakPolarHBondContact CE1-O 3.34Å; F12-L30 HydrophobicContact CG-CB 4.21Å; F12-L30 HydrophobicContact CG-CD1 4.41Å; F12-L30 HydrophobicContact CZ-CB 4.43Å; I14-L30 HydrophobicContact CD1-CD1 4.08Å; I14-L30 HydrophobicContact CG1-CD1 4.14Å; C25-L30 HydrophobicContact CB-CD1 4.35Å; S26-L30 PolarHBondContact O-N 3.16Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; L30-Q33 PolarHBondContact O-N 3.32Å; L30-H34 WeakPolarHBondContact O-CB 3.26Å; L30-H34 PolarHBondContact O-N 3.11Å |
| 31 | F | 81.1 | Confident | 70.5 | Confident | 73 Ų | 73 | 102 Ų | 102 | 32% | 0.32 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -36.5 | 176.7 | -172.9 | -96.3 | 0 | 0 | 0 | 112 | F12 Y27 E29 H34 L35 | F12-F31 HydrophobicContact CZ-CB 4.11Å; F12-F31 HydrophobicContact CZ-CD2 4.17Å; Y27-F31 HydrophobicContact CE2-CB 4.45Å; Y27-F31 WeakPolarHBondContact O-CB 3.3Å; Y27-F31 PolarHBondContact O-N 3.2Å; E29-F31 PolarHBondContact O-N 2.89Å; F31-H34 PolarHBondContact O-N 3.25Å; F31-L35 HydrophobicContact CD1-CD1 3.96Å; F31-L35 HydrophobicContact CD1-CG 4.24Å; F31-L35 HydrophobicContact CE1-CD1 3.67Å; F31-L35 HydrophobicContact CE1-CD2 4.37Å; F31-L35 HydrophobicContact CE1-CG 4Å; F31-L35 WeakPolarHBondContact O-CG 3.3Å; F31-L35 PolarHBondContact O-N 3.36Å |
| 32 | Q | 76.9 | Confident | 69.4 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 174.7 | -173.8 | 165.4 | -10.6 | 0 | 0 | 111.7 | L28 E29 L30 H34 L35 E36 | L28-Q32 WeakPolarHBondContact O-CB 3.45Å; L28-Q32 PolarHBondContact O-N 2.83Å; E29-Q32 PolarHBondContact O-N 2.79Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; Q32-H34 VanDerWaalsContact C-N 3.27Å; Q32-H34 PolarHBondContact O-N 3.37Å; Q32-L35 PolarHBondContact O-N 2.95Å; Q32-E36 WeakPolarHBondContact O-CG 3.37Å; Q32-E36 PolarHBondContact O-N 3.46Å |
| 33 | Q | 75.6 | Confident | 69.1 | Low | 130 Ų | 130 | 106.1 Ų | 106.1 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -31.8 | 172.3 | -165.8 | -179.6 | 17.6 | 0 | 0 | 112.1 | E29 L30 S37 | E29-Q33 WeakPolarHBondContact O-CB 3.34Å; E29-Q33 PolarHBondContact O-N 3.12Å; L30-Q33 PolarHBondContact O-N 3.32Å; Q33-S37 WeakPolarHBondContact O-CB 3.33Å; Q33-S37 PolarHBondContact O-N 3.39Å; Q33-S37 PolarHBondContact O-OG 3.09Å |
| 34 | H | 78.6 | Confident | 68.2 | Low | 62 Ų | 62 | 107.9 Ų | 107.9 | 29% | 0.287 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 171.7 | -170.5 | 72 | 0 | 0 | 0 | 112.5 | V10 F12 L30 F31 Q32 E36 S37 I38 | V10-H34 HydrophobicContact CG1-CB 4.45Å; F12-H34 HydrophobicContact CE1-CB 3.91Å; L30-H34 WeakPolarHBondContact O-CB 3.26Å; L30-H34 PolarHBondContact O-N 3.11Å; F31-H34 PolarHBondContact O-N 3.25Å; Q32-H34 VanDerWaalsContact C-N 3.27Å; Q32-H34 PolarHBondContact O-N 3.37Å; H34-E36 PolarHBondContact O-N 3.35Å; H34-S37 WeakPolarHBondContact CA-OG 3.43Å; H34-S37 PolarHBondContact O-N 3.47Å; H34-S37 PolarHBondContact O-OG 3.47Å; H34-S37 VanDerWaalsContact O-OG 3.12Å; H34-I38 WeakPolarHBondContact NE2-CD1 3.31Å; H34-I38 VanDerWaalsContact O-CG1 3.29Å; H34-I38 WeakPolarHBondContact O-CG1 3.35Å; H34-I38 PolarHBondContact O-N 2.86Å |
| 35 | L | 77.1 | Confident | 67.3 | Low | 92 Ų | 92 | 107.3 Ų | 107.3 | 48% | 0.482 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 171.8 | -71.8 | 176.9 | 0 | 0 | 0 | 111.9 | F31 Q32 I38 N39 | F31-L35 HydrophobicContact CD1-CD1 3.96Å; F31-L35 HydrophobicContact CD1-CG 4.24Å; F31-L35 HydrophobicContact CE1-CD1 3.67Å; F31-L35 HydrophobicContact CE1-CD2 4.37Å; F31-L35 HydrophobicContact CE1-CG 4Å; F31-L35 WeakPolarHBondContact O-CG 3.3Å; F31-L35 PolarHBondContact O-N 3.36Å; Q32-L35 PolarHBondContact O-N 2.95Å; L35-I38 PolarHBondContact O-N 3.49Å; L35-N39 VanDerWaalsContact O-CB 3.3Å; L35-N39 WeakPolarHBondContact O-CB 3.38Å; L35-N39 PolarHBondContact O-N 2.87Å |
| 36 | E | 74.1 | Confident | 66.6 | Low | 105 Ų | 105 | 108.9 Ų | 108.9 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 177 | -74.1 | -178.9 | -169.7 | 0 | 0 | 112.2 | Q32 H34 N39 N40 | Q32-E36 WeakPolarHBondContact O-CG 3.37Å; Q32-E36 PolarHBondContact O-N 3.46Å; H34-E36 PolarHBondContact O-N 3.35Å; E36-N39 PolarHBondContact O-N 3.39Å; E36-N40 VanDerWaalsContact O-CB 3.29Å; E36-N40 WeakPolarHBondContact O-CB 3.27Å; E36-N40 PolarHBondContact O-N 3.08Å; E36-N40 PolarHBondContact O-ND2 3.29Å |
| 37 | S | 68.2 | Low | 65.8 | Low | 58 Ų | 58 | 111.2 Ų | 111.2 | 41% | 0.406 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72 | -33.9 | 175.7 | 50.4 | 0 | 0 | 0 | 0 | 113 | Q33 H34 N40 Q41 | Q33-S37 WeakPolarHBondContact O-CB 3.33Å; Q33-S37 PolarHBondContact O-N 3.39Å; Q33-S37 PolarHBondContact O-OG 3.09Å; H34-S37 WeakPolarHBondContact CA-OG 3.43Å; H34-S37 PolarHBondContact O-N 3.47Å; H34-S37 PolarHBondContact O-OG 3.47Å; H34-S37 VanDerWaalsContact O-OG 3.12Å; S37-N40 PolarHBondContact O-N 2.92Å; S37-Q41 PolarHBondContact O-N 3.03Å; S37-Q41 VanDerWaalsContact O-N 3.14Å |
| 38 | I | 70.6 | Confident | 64.6 | Low | 95 Ų | 95 | 112.3 Ų | 112.3 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.6 | -48.3 | 166.8 | -70 | 166.1 | 0 | 0 | 0 | 110.3 | H34 L35 N40 Q41 | H34-I38 WeakPolarHBondContact NE2-CD1 3.31Å; H34-I38 VanDerWaalsContact O-CG1 3.29Å; H34-I38 WeakPolarHBondContact O-CG1 3.35Å; H34-I38 PolarHBondContact O-N 2.86Å; L35-I38 PolarHBondContact O-N 3.49Å; I38-N40 VanDerWaalsContact C-N 3.27Å; I38-N40 PolarHBondContact O-N 3.49Å; I38-Q41 PolarHBondContact O-N 2.68Å; I38-Q41 VanDerWaalsContact O-N 3.13Å |
| 39 | N | 60 | Low | 63.5 | Low | 141 Ų | 141 | 108.6 Ų | 108.6 | 75% | 0.754 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.3 | -23.8 | -176.3 | -157.6 | 30.1 | 0 | 0 | 0 | 112.9 | L35 E36 | L35-N39 VanDerWaalsContact O-CB 3.3Å; L35-N39 WeakPolarHBondContact O-CB 3.38Å; L35-N39 PolarHBondContact O-N 2.87Å; E36-N39 PolarHBondContact O-N 3.39Å |
| 40 | N | 59.3 | Low | 62.4 | Low | 132 Ų | 132 | 107 Ų | 107 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -88.1 | -6.2 | 172.8 | -74.9 | -58.3 | 0 | 0 | 0 | 113.9 | E36 S37 I38 K42 | E36-N40 VanDerWaalsContact O-CB 3.29Å; E36-N40 WeakPolarHBondContact O-CB 3.27Å; E36-N40 PolarHBondContact O-N 3.08Å; E36-N40 PolarHBondContact O-ND2 3.29Å; S37-N40 PolarHBondContact O-N 2.92Å; I38-N40 VanDerWaalsContact C-N 3.27Å; I38-N40 PolarHBondContact O-N 3.49Å; N40-K42 VanDerWaalsContact C-N 3.27Å; N40-K42 PolarHBondContact O-N 3Å |
| 41 | Q | 53.7 | Low | 61.6 | Low | 160 Ų | 160 | 109 Ų | 109 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -73.1 | 86.3 | 168.5 | -80.6 | -165.8 | 11.7 | 0 | 0 | 110.7 | S37 I38 | S37-Q41 PolarHBondContact O-N 3.03Å; S37-Q41 VanDerWaalsContact O-N 3.14Å; I38-Q41 PolarHBondContact O-N 2.68Å; I38-Q41 VanDerWaalsContact O-N 3.13Å |
| 42 | K | 39.1 | Very low | 61.3 | Low | 146 Ų | 146 | 112.5 Ų | 112.5 | 64% | 0.635 | 59% | 0.588 | S | S | * | * | trans | -3.5 | 99.3 | 161.5 | -165.7 | -165.5 | -166.6 | -147.7 | 0 | 114.1 | N40 E44 | N40-K42 VanDerWaalsContact C-N 3.27Å; N40-K42 PolarHBondContact O-N 3Å; K42-E44 VanDerWaalsContact C-N 3.27Å; K42-E44 HydrophobicContact CD-CG 4.1Å; K42-E44 WeakPolarHBondContact CD-OE1 3.35Å; K42-E44 WeakPolarHBondContact CE-OE1 3.26Å; K42-E44 HydrophobicContact CG-CG 4.44Å; K42-E44 IonicContact NZ-OE1 3.51Å; K42-E44 PolarHBondContact NZ-OE1 3.36Å; K42-E44 IonicContact NZ-OE2 2.69Å; K42-E44 PolarHBondContact NZ-OE2 2.71Å; K42-E44 PolarHBondContact O-N 3.43Å | ||
| 43 | P | 46.1 | Very low | 61.3 | Low | 98 Ų | 98 | 110.6 Ų | 110.6 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | trans | -73.4 | 82.5 | 172.2 | 29.9 | -34.4 | 0 | 0 | 0 | 110.4 | ||||
| 44 | E | 45.9 | Very low | 61.4 | Low | 122 Ų | 122 | 106.5 Ų | 106.5 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 146.7 | 158.8 | -58 | -77.3 | 79.6 | 0 | 0 | 108.9 | K42 N46 | K42-E44 VanDerWaalsContact C-N 3.27Å; K42-E44 HydrophobicContact CD-CG 4.1Å; K42-E44 WeakPolarHBondContact CD-OE1 3.35Å; K42-E44 WeakPolarHBondContact CE-OE1 3.26Å; K42-E44 HydrophobicContact CG-CG 4.44Å; K42-E44 IonicContact NZ-OE1 3.51Å; K42-E44 PolarHBondContact NZ-OE1 3.36Å; K42-E44 IonicContact NZ-OE2 2.69Å; K42-E44 PolarHBondContact NZ-OE2 2.71Å; K42-E44 PolarHBondContact O-N 3.43Å; E44-N46 PolarHBondContact O-N 2.76Å; E44-N46 VanDerWaalsContact O-N 3.15Å |
| 45 | D | 48.4 | Very low | 61.6 | Low | 163 Ų | 163 | 108.1 Ų | 108.1 | 87% | 0.872 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.6 | 30.5 | 164.4 | -60.4 | -18.9 | 0 | 0 | 0 | 119 | P47 | D45-P47 WeakPolarHBondContact O-CD 3.48Š|
| 46 | N | 52.7 | Low | 62 | Low | 98 Ų | 98 | 110.4 Ų | 110.4 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | trans | -113.4 | 92.6 | 167.4 | -155.9 | -12.5 | 0 | 0 | 0 | 112.9 | E44 F48 A49 | E44-N46 PolarHBondContact O-N 2.76Å; E44-N46 VanDerWaalsContact O-N 3.15Å; N46-F48 PolarHBondContact O-N 3.08Å; N46-A49 PolarHBondContact O-N 2.86Å | ||
| 47 | P | 57.7 | Low | 62.6 | Low | 101 Ų | 101 | 112.1 Ų | 112.1 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -12.1 | -166.6 | 26.2 | -35.1 | 0 | 0 | 0 | 115.2 | D45 | D45-P47 WeakPolarHBondContact O-CD 3.48Š|
| 48 | F | 50.3 | Low | 63.6 | Low | 166 Ų | 166 | 115.2 Ų | 115.2 | 73% | 0.728 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -24.4 | 179.8 | -60.7 | -77.8 | 0 | 0 | 0 | 113.8 | N46 S50 N51 | N46-F48 PolarHBondContact O-N 3.08Å; F48-S50 PolarHBondContact O-N 3.22Å; F48-S50 VanDerWaalsContact O-N 3.12Å; F48-N51 PolarHBondContact O-N 2.92Å; F48-N51 VanDerWaalsContact O-N 3.15Å |
| 49 | A | 57.3 | Low | 64.5 | Low | 47 Ų | 47 | 116.1 Ų | 116.1 | 39% | 0.388 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60.8 | -28.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N46 N51 E52 | N46-A49 PolarHBondContact O-N 2.86Å; A49-N51 PolarHBondContact O-N 3.21Å; A49-N51 VanDerWaalsContact O-N 3.16Å; A49-E52 PolarHBondContact O-N 3.11Å |
| 50 | S | 56.5 | Low | 65.8 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.4 | -19.1 | 178.7 | 65.7 | 0 | 0 | 0 | 0 | 115 | F48 | F48-S50 PolarHBondContact O-N 3.22Å; F48-S50 VanDerWaalsContact O-N 3.12Å |
| 51 | N | 64 | Low | 67.2 | Low | 80 Ų | 80 | 109.5 Ų | 109.5 | 43% | 0.428 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -98.2 | -23.7 | -177.3 | -124.2 | 35.1 | 0 | 0 | 0 | 113.7 | F48 A49 A54 E55 | F48-N51 PolarHBondContact O-N 2.92Å; F48-N51 VanDerWaalsContact O-N 3.15Å; A49-N51 PolarHBondContact O-N 3.21Å; A49-N51 VanDerWaalsContact O-N 3.16Å; N51-A54 CarbonylContact O-C 3.54Å; N51-A54 WeakPolarHBondContact O-CA 3.28Å; N51-A54 WeakPolarHBondContact O-CB 3.2Å; N51-A54 PolarHBondContact O-N 2.97Å; N51-A54 VanDerWaalsContact O-N 3.08Å; N51-E55 PolarHBondContact ND2-OE1 2.98Å; N51-E55 WeakPolarHBondContact O-CG 3.45Å; N51-E55 PolarHBondContact O-N 3.43Å |
| 52 | E | 74.9 | Confident | 69 | Low | 147 Ų | 147 | 106.6 Ų | 106.6 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64 | -51.7 | -165.2 | -172.3 | 162.4 | -155.8 | 0 | 0 | 112.8 | A49 A54 E55 E56 | A49-E52 PolarHBondContact O-N 3.11Å; E52-A54 PolarHBondContact O-N 3.36Å; E52-E55 CarbonylContact O-C 3.59Å; E52-E55 WeakPolarHBondContact O-CA 3.49Å; E52-E55 PolarHBondContact O-N 2.91Å; E52-E56 PolarHBondContact O-N 2.88Å |
| 53 | A | 76.4 | Confident | 71.3 | Confident | 76 Ų | 76 | 102.3 Ų | 102.3 | 63% | 0.628 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.9 | -28.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K57 | A53-K57 WeakPolarHBondContact O-CB 3.39Å; A53-K57 PolarHBondContact O-N 3.15Å |
| 54 | A | 78.9 | Confident | 73.3 | Confident | 43 Ų | 43 | 101.7 Ų | 101.7 | 36% | 0.355 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -78 | -24.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N51 E52 K58 | N51-A54 CarbonylContact O-C 3.54Å; N51-A54 WeakPolarHBondContact O-CA 3.28Å; N51-A54 WeakPolarHBondContact O-CB 3.2Å; N51-A54 PolarHBondContact O-N 2.97Å; N51-A54 VanDerWaalsContact O-N 3.08Å; E52-A54 PolarHBondContact O-N 3.36Å; A54-K58 VanDerWaalsContact O-CD 3.27Å; A54-K58 WeakPolarHBondContact O-CD 3.48Å; A54-K58 WeakPolarHBondContact O-CE 3.19Å; A54-K58 WeakPolarHBondContact O-CG 3.39Å; A54-K58 PolarHBondContact O-N 2.79Å |
| 55 | E | 82.7 | Confident | 75.2 | Confident | 96 Ų | 96 | 98.3 Ų | 98.3 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -83.4 | -40.6 | 174.3 | -73.1 | -177.1 | -155.3 | 0 | 0 | 112.2 | N51 E52 K57 K58 L59 | N51-E55 PolarHBondContact ND2-OE1 2.98Å; N51-E55 WeakPolarHBondContact O-CG 3.45Å; N51-E55 PolarHBondContact O-N 3.43Å; E52-E55 CarbonylContact O-C 3.59Å; E52-E55 WeakPolarHBondContact O-CA 3.49Å; E52-E55 PolarHBondContact O-N 2.91Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.17Å; E55-K58 WeakPolarHBondContact O-CB 3.25Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-K58 VanDerWaalsContact O-N 3.14Å; E55-L59 WeakPolarHBondContact O-CG 3.49Å; E55-L59 PolarHBondContact O-N 3.41Å |
| 56 | E | 85.3 | Confident | 76.8 | Confident | 141 Ų | 141 | 94.5 Ų | 94.5 | 66% | 0.659 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.9 | -44.1 | 170.1 | -170.9 | -172.6 | -168.5 | 0 | 0 | 111 | E52 K58 L59 S60 | E52-E56 PolarHBondContact O-N 2.88Å; E56-K58 PolarHBondContact O-N 3.07Å; E56-L59 WeakPolarHBondContact O-CB 3.45Å; E56-L59 PolarHBondContact O-N 2.94Å; E56-L59 VanDerWaalsContact O-N 3.15Å; E56-S60 WeakPolarHBondContact O-CB 3.49Å; E56-S60 PolarHBondContact O-N 3.01Å |
| 57 | K | 87.5 | Confident | 78 | Confident | 141 Ų | 141 | 96.1 Ų | 96.1 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 174.9 | -174.3 | 172.9 | 179.9 | 177.2 | 0 | 112.3 | A53 E55 L59 S60 D61 | A53-K57 WeakPolarHBondContact O-CB 3.39Å; A53-K57 PolarHBondContact O-N 3.15Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.17Å; K57-L59 VanDerWaalsContact C-N 3.33Å; K57-L59 PolarHBondContact O-N 3.45Å; K57-S60 PolarHBondContact O-N 2.9Å; K57-D61 WeakPolarHBondContact O-CB 3.29Å; K57-D61 PolarHBondContact O-N 3.49Å |
| 58 | K | 88.9 | Confident | 79 | Confident | 122 Ų | 122 | 100.5 Ų | 100.5 | 53% | 0.53 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 174.5 | -69.6 | 161.1 | -158.5 | 154.9 | 0 | 111.5 | A54 E55 E56 L62 | A54-K58 VanDerWaalsContact O-CD 3.27Å; A54-K58 WeakPolarHBondContact O-CD 3.48Å; A54-K58 WeakPolarHBondContact O-CE 3.19Å; A54-K58 WeakPolarHBondContact O-CG 3.39Å; A54-K58 PolarHBondContact O-N 2.79Å; E55-K58 WeakPolarHBondContact O-CB 3.25Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-K58 VanDerWaalsContact O-N 3.14Å; E56-K58 PolarHBondContact O-N 3.07Å; K58-L62 WeakPolarHBondContact O-CB 3.18Å; K58-L62 PolarHBondContact O-N 2.85Å |
| 59 | L | 88 | Confident | 80.4 | Confident | 114 Ų | 114 | 98.7 Ų | 98.7 | 60% | 0.597 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 176.2 | -74.6 | 162.5 | 0 | 0 | 0 | 111.6 | E55 E56 K57 L62 A63 | E55-L59 WeakPolarHBondContact O-CG 3.49Å; E55-L59 PolarHBondContact O-N 3.41Å; E56-L59 WeakPolarHBondContact O-CB 3.45Å; E56-L59 PolarHBondContact O-N 2.94Å; E56-L59 VanDerWaalsContact O-N 3.15Å; K57-L59 VanDerWaalsContact C-N 3.33Å; K57-L59 PolarHBondContact O-N 3.45Å; L59-L62 PolarHBondContact O-N 3.44Å; L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 3.02Å |
| 60 | S | 88 | Confident | 81.3 | Confident | 49 Ų | 49 | 100.8 Ų | 100.8 | 34% | 0.343 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 176.6 | -162.9 | 0 | 0 | 0 | 0 | 112.1 | E56 K57 A63 K64 | E56-S60 WeakPolarHBondContact O-CB 3.49Å; E56-S60 PolarHBondContact O-N 3.01Å; K57-S60 PolarHBondContact O-N 2.9Å; S60-A63 PolarHBondContact O-N 3.18Å; S60-K64 WeakPolarHBondContact O-CB 3.47Å; S60-K64 WeakPolarHBondContact O-CD 3.23Å; S60-K64 VanDerWaalsContact O-CG 3.27Å; S60-K64 WeakPolarHBondContact O-CG 3.39Å; S60-K64 PolarHBondContact O-N 3.12Å; S60-K64 PolarHBondContact OG-NZ 2.86Å |
| 61 | D | 89.9 | Confident | 82 | Confident | 86 Ų | 86 | 97.6 Ų | 97.6 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.9 | -35.6 | 176.9 | -75.2 | -27.9 | 0 | 0 | 0 | 111.9 | K57 A65 | K57-D61 WeakPolarHBondContact O-CB 3.29Å; K57-D61 PolarHBondContact O-N 3.49Å; D61-A65 VanDerWaalsContact O-CB 3.28Å; D61-A65 WeakPolarHBondContact O-CB 3.47Å; D61-A65 PolarHBondContact O-N 3.23Å |
| 62 | L | 90 | Very high | 82.4 | Confident | 99 Ų | 99 | 96.2 Ų | 96.2 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 172.1 | 179.6 | 62.6 | 0 | 0 | 0 | 112 | K58 L59 A65 L66 | K58-L62 WeakPolarHBondContact O-CB 3.18Å; K58-L62 PolarHBondContact O-N 2.85Å; L59-L62 PolarHBondContact O-N 3.44Å; L62-A65 WeakPolarHBondContact O-CB 3.14Å; L62-A65 PolarHBondContact O-N 2.95Å; L62-L66 HydrophobicContact CD1-CD1 4.49Å; L62-L66 HydrophobicContact CD1-CG 4.47Å; L62-L66 HydrophobicContact CG-CD1 4.3Å; L62-L66 WeakPolarHBondContact O-CG 3.2Å; L62-L66 PolarHBondContact O-N 2.75Å |
| 63 | A | 87.3 | Confident | 82.4 | Confident | 56 Ų | 56 | 91.6 Ų | 91.6 | 46% | 0.463 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | L59 S60 A65 L66 E67 | L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 3.02Å; S60-A63 PolarHBondContact O-N 3.18Å; A63-A65 PolarHBondContact O-N 3.3Å; A63-L66 PolarHBondContact O-N 3.2Å; A63-L66 VanDerWaalsContact O-N 3.14Å; A63-E67 WeakPolarHBondContact O-CB 3.27Å; A63-E67 PolarHBondContact O-N 3.1Å |
| 64 | K | 88.4 | Confident | 82.2 | Confident | 85 Ų | 85 | 89 Ų | 89 | 37% | 0.37 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.9 | -27 | 174.8 | -68 | 161.7 | -179 | 145.6 | 0 | 112.9 | S60 R68 | S60-K64 WeakPolarHBondContact O-CB 3.47Å; S60-K64 WeakPolarHBondContact O-CD 3.23Å; S60-K64 VanDerWaalsContact O-CG 3.27Å; S60-K64 WeakPolarHBondContact O-CG 3.39Å; S60-K64 PolarHBondContact O-N 3.12Å; S60-K64 PolarHBondContact OG-NZ 2.86Å; K64-R68 VanDerWaalsContact O-CG 3.3Å; K64-R68 WeakPolarHBondContact O-CG 3.33Å; K64-R68 PolarHBondContact O-N 3.38Å; K64-R68 PolarHBondContact O-NH1 3.33Å |
| 65 | A | 85.7 | Confident | 82 | Confident | 50 Ų | 50 | 88 Ų | 88 | 41% | 0.413 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -75.9 | -38.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D61 L62 A63 K69 | D61-A65 VanDerWaalsContact O-CB 3.28Å; D61-A65 WeakPolarHBondContact O-CB 3.47Å; D61-A65 PolarHBondContact O-N 3.23Å; L62-A65 WeakPolarHBondContact O-CB 3.14Å; L62-A65 PolarHBondContact O-N 2.95Å; A63-A65 PolarHBondContact O-N 3.3Å; A65-K69 VanDerWaalsContact O-CB 3.23Å; A65-K69 WeakPolarHBondContact O-CB 3.44Å; A65-K69 PolarHBondContact O-N 3.46Å |
| 66 | L | 81.6 | Confident | 81.4 | Confident | 84 Ų | 84 | 84.4 Ų | 84.4 | 44% | 0.44 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68 | -41 | 174.2 | -70.5 | 170.3 | 0 | 0 | 0 | 111.6 | L62 A63 K69 Y70 | L62-L66 HydrophobicContact CD1-CD1 4.49Å; L62-L66 HydrophobicContact CD1-CG 4.47Å; L62-L66 HydrophobicContact CG-CD1 4.3Å; L62-L66 WeakPolarHBondContact O-CG 3.2Å; L62-L66 PolarHBondContact O-N 2.75Å; A63-L66 PolarHBondContact O-N 3.2Å; A63-L66 VanDerWaalsContact O-N 3.14Å; L66-K69 PolarHBondContact O-N 3.37Å; L66-Y70 HydrophobicContact CD2-CD2 4.15Å; L66-Y70 HydrophobicContact CD2-CE2 3.92Å; L66-Y70 WeakPolarHBondContact O-CB 3.4Å; L66-Y70 PolarHBondContact O-N 2.73Å |
| 67 | E | 78.2 | Confident | 80.7 | Confident | 131 Ų | 131 | 82.5 Ų | 82.5 | 61% | 0.612 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.4 | -52.7 | 175 | -176.2 | 176.2 | -139.9 | 0 | 0 | 111.7 | A63 K69 Y70 G71 | A63-E67 WeakPolarHBondContact O-CB 3.27Å; A63-E67 PolarHBondContact O-N 3.1Å; E67-K69 PolarHBondContact O-N 3.17Å; E67-K69 VanDerWaalsContact O-N 3.11Å; E67-Y70 PolarHBondContact O-N 3.38Å; E67-G71 WeakPolarHBondContact O-CA 3.37Å; E67-G71 PolarHBondContact O-N 2.85Å |
| 68 | R | 78.5 | Confident | 79.7 | Confident | 194 Ų | 194 | 78.7 Ų | 78.7 | 73% | 0.732 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.3 | -22.2 | 175.3 | -70 | -177.4 | -160 | 100.5 | -10.2 | 114.1 | K64 | K64-R68 VanDerWaalsContact O-CG 3.3Å; K64-R68 WeakPolarHBondContact O-CG 3.33Å; K64-R68 PolarHBondContact O-N 3.38Å; K64-R68 PolarHBondContact O-NH1 3.33Å |
| 69 | K | 79.8 | Confident | 78.3 | Confident | 128 Ų | 128 | 77.3 Ų | 77.3 | 56% | 0.557 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -91.1 | -25.8 | -178.5 | -168.2 | -179.1 | -179.4 | -163.3 | 0 | 113.3 | A65 L66 E67 | A65-K69 VanDerWaalsContact O-CB 3.23Å; A65-K69 WeakPolarHBondContact O-CB 3.44Å; A65-K69 PolarHBondContact O-N 3.46Å; L66-K69 PolarHBondContact O-N 3.37Å; E67-K69 PolarHBondContact O-N 3.17Å; E67-K69 VanDerWaalsContact O-N 3.11Å |
| 70 | Y | 77.7 | Confident | 77.3 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -140.6 | -11.4 | -168.9 | -58.2 | -52.9 | 0 | 0 | 0 | 115.7 | L66 E67 M73 | L66-Y70 HydrophobicContact CD2-CD2 4.15Å; L66-Y70 HydrophobicContact CD2-CE2 3.92Å; L66-Y70 WeakPolarHBondContact O-CB 3.4Å; L66-Y70 PolarHBondContact O-N 2.73Å; E67-Y70 PolarHBondContact O-N 3.38Å; Y70-M73 HydrophobicContact CD1-SD 4.15Å; Y70-M73 WeakPolarHBondContact O-CB 3.3Å; Y70-M73 PolarHBondContact O-N 3.36Å; Y70-M73 VanDerWaalsContact O-N 3.14Å |
| 71 | G | 69.6 | Low | 76.2 | Confident | 36 Ų | 36 | 79.9 Ų | 79.9 | 37% | 0.371 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -51.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E67 M73 | E67-G71 WeakPolarHBondContact O-CA 3.37Å; E67-G71 PolarHBondContact O-N 2.85Å; G71-M73 PolarHBondContact O-N 3.41Å |
| 72 | T | 72.7 | Confident | 75.3 | Confident | 52 Ų | 52 | 81.2 Ų | 81.2 | 32% | 0.319 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 9.8 | 174.4 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | R86 I87 D88 | T72-R86 CarbonylContact O-C 3.51Å; T72-R86 VanDerWaalsContact O-CA 3.22Å; T72-R86 WeakPolarHBondContact O-CA 3.23Å; T72-I87 PolarHBondContact O-N 3.49Å; T72-D88 WeakPolarHBondContact CB-OD1 3.25Å; T72-D88 VanDerWaalsContact CB-OD2 3.29Å; T72-D88 WeakPolarHBondContact CB-OD2 3.41Å; T72-D88 VanDerWaalsContact CG2-OD1 3.25Å; T72-D88 WeakPolarHBondContact CG2-OD1 3.44Å; T72-D88 PolarHBondContact OG1-OD2 2.73Å |
| 73 | M | 75.6 | Confident | 74.5 | Confident | 50 Ų | 50 | 82.7 Ų | 82.7 | 25% | 0.246 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 104.7 | 177.7 | -64.1 | -161.3 | 83.2 | 0 | 0 | 113.2 | Y70 G71 R84 V85 | Y70-M73 HydrophobicContact CD1-SD 4.15Å; Y70-M73 WeakPolarHBondContact O-CB 3.3Å; Y70-M73 PolarHBondContact O-N 3.36Å; Y70-M73 VanDerWaalsContact O-N 3.14Å; G71-M73 PolarHBondContact O-N 3.41Å; M73-R84 HydrophobicContact CE-CB 4.01Å; M73-R84 PolarHBondContact SD-NH2 3.42Å; M73-V85 CarbonylContact C-O 3.47Å; M73-V85 WeakPolarHBondContact CA-O 3.39Å |
| 74 | V | 72.7 | Confident | 74 | Confident | 20 Ų | 20 | 86 Ų | 86 | 12% | 0.121 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 155.1 | 177.3 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | R84 V85 I87 I142 E143 | V74-R84 WeakPolarHBondContact O-CA 3.5Å; V74-V85 PolarHBondContact N-O 3.11Å; V74-V85 PolarHBondContact O-N 3.23Å; V74-I87 HydrophobicContact CG2-CD1 3.72Å; V74-I87 HydrophobicContact CG2-CG1 3.63Å; V74-I142 HydrophobicContact CG1-CG2 3.43Å; V74-I142 VanDerWaalsContact CG1-CG2 3.43Å; V74-E143 WeakPolarHBondContact CG1-O 3.5Å |
| 75 | T | 73.3 | Confident | 73.3 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 14% | 0.141 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 109.6 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | H82 E143 | T75-H82 HydrophobicContact CG2-CB 4.44Å; T75-E143 PolarHBondContact N-O 2.73Å; T75-E143 WeakPolarHBondContact O-CA 3.35Å; T75-E143 VanDerWaalsContact O-CB 3.27Å; T75-E143 WeakPolarHBondContact O-CB 3.07Å; T75-E143 PolarHBondContact O-N 3.28Å |
| 76 | M | 70.5 | Confident | 72.9 | Confident | 21 Ų | 21 | 85.9 Ų | 85.9 | 10% | 0.103 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 135.5 | 172.4 | -63 | -60.4 | -81.5 | 0 | 0 | 109.9 | H82 K83 V85 P116 N117 I142 | M76-H82 WeakPolarHBondContact O-CA 3.4Å; M76-K83 PolarHBondContact N-O 2.87Å; M76-K83 PolarHBondContact O-N 2.88Å; M76-V85 HydrophobicContact CG-CG2 3.95Å; M76-P116 HydrophobicContact CE-CB 3.99Å; M76-P116 HydrophobicContact CE-CG 4.34Å; M76-N117 HydrophobicContact CE-CB 4.25Å; M76-I142 HydrophobicContact CE-CG1 4.06Å; M76-I142 HydrophobicContact SD-CB 4.31Å; M76-I142 HydrophobicContact SD-CG1 3.83Å; M76-I142 HydrophobicContact SD-CG2 4.31Å |
| 77 | K | 71.8 | Confident | 72.6 | Confident | 100 Ų | 100 | 85.6 Ų | 85.6 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 107.8 | 167 | -169.4 | -175.3 | -173.4 | 179.8 | 0 | 109.8 | H82 K141 | K77-H82 WeakPolarHBondContact CE-NE2 3.49Å; K77-K141 PolarHBondContact N-O 2.86Å; K77-K141 VanDerWaalsContact N-O 3.15Å; K77-K141 PolarHBondContact O-N 3.49Å |
| 78 | N | 64.7 | Low | 72.4 | Confident | 61 Ų | 61 | 83 Ų | 83 | 33% | 0.326 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.1 | 171.3 | 179.3 | -49.3 | 0 | 0 | 0 | 107.7 | G80 K81 | N78-G80 PolarHBondContact O-N 2.86Å; N78-K81 PolarHBondContact N-O 3.08Å; N78-K81 PolarHBondContact O-N 2.82Å |
| 79 | S | 61 | Low | 72.4 | Confident | 94 Ų | 94 | 77.2 Ų | 77.2 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 37.5 | 176 | 49.5 | 0 | 0 | 0 | 0 | 115.2 | K81 | S79-K81 PolarHBondContact O-N 2.7Š|
| 80 | G | 66 | Low | 72 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | -8.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | N78 | N78-G80 PolarHBondContact O-N 2.86Š|
| 81 | K | 65.8 | Low | 71.8 | Confident | 159 Ų | 159 | 74.9 Ų | 74.9 | 69% | 0.691 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 130.9 | 176.9 | -64.8 | 169.4 | -174.3 | 165.7 | 0 | 109.7 | N78 S79 | N78-K81 PolarHBondContact N-O 3.08Å; N78-K81 PolarHBondContact O-N 2.82Å; S79-K81 PolarHBondContact O-N 2.7Å |
| 82 | H | 70.3 | Confident | 71.9 | Confident | 114 Ų | 114 | 76.5 Ų | 76.5 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 116.8 | 173.1 | -72.8 | -101.4 | 0 | 0 | 0 | 109.5 | T75 M76 K77 | T75-H82 HydrophobicContact CG2-CB 4.44Å; M76-H82 WeakPolarHBondContact O-CA 3.4Å; K77-H82 WeakPolarHBondContact CE-NE2 3.49Å |
| 83 | K | 74.4 | Confident | 71.6 | Confident | 131 Ų | 131 | 79.5 Ų | 79.5 | 57% | 0.57 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.2 | 174.6 | -169.8 | -169.5 | 174.6 | -170.1 | 0 | 108.7 | M76 V85 | M76-K83 PolarHBondContact N-O 2.87Å; M76-K83 PolarHBondContact O-N 2.88Å; K83-V85 HydrophobicContact CB-CG2 4.4Å; K83-V85 HydrophobicContact CD-CG2 3.79Å; K83-V85 HydrophobicContact CG-CG2 3.9Å |
| 84 | R | 75.6 | Confident | 71.4 | Confident | 126 Ų | 126 | 78.9 Ų | 78.9 | 48% | 0.475 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 131.6 | 165.8 | -61.5 | -173.7 | 70.3 | -160.2 | 3.4 | 108.4 | M73 V74 | M73-R84 HydrophobicContact CE-CB 4.01Å; M73-R84 PolarHBondContact SD-NH2 3.42Å; V74-R84 WeakPolarHBondContact O-CA 3.5Å |
| 85 | V | 73.3 | Confident | 71.4 | Confident | 14 Ų | 14 | 84.7 Ų | 84.7 | 9% | 0.085 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 154.3 | 178.2 | -147.8 | 0 | 0 | 0 | 0 | 109.5 | M73 V74 M76 K83 F90 | M73-V85 CarbonylContact C-O 3.47Å; M73-V85 WeakPolarHBondContact CA-O 3.39Å; V74-V85 PolarHBondContact N-O 3.11Å; V74-V85 PolarHBondContact O-N 3.23Å; M76-V85 HydrophobicContact CG-CG2 3.95Å; K83-V85 HydrophobicContact CB-CG2 4.4Å; K83-V85 HydrophobicContact CD-CG2 3.79Å; K83-V85 HydrophobicContact CG-CG2 3.9Å; V85-F90 HydrophobicContact CB-CE2 3.91Å; V85-F90 HydrophobicContact CB-CZ 4.48Å; V85-F90 HydrophobicContact CG1-CD2 4.5Å; V85-F90 HydrophobicContact CG1-CE2 3.41Å; V85-F90 VanDerWaalsContact CG1-CE2 3.41Å; V85-F90 HydrophobicContact CG1-CZ 3.68Å; V85-F90 HydrophobicContact CG2-CE2 4.47Å |
| 86 | R | 78.3 | Confident | 71.3 | Confident | 117 Ų | 117 | 87.3 Ų | 87.3 | 44% | 0.442 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 140.5 | 173.5 | -169.6 | -171 | -71.8 | 114.1 | -4.6 | 108.9 | T72 D88 D89 | T72-R86 CarbonylContact O-C 3.51Å; T72-R86 VanDerWaalsContact O-CA 3.22Å; T72-R86 WeakPolarHBondContact O-CA 3.23Å; R86-D88 VanDerWaalsContact C-N 3.3Å; R86-D88 WeakPolarHBondContact CD-OD2 3.47Å; R86-D88 HydrophobicContact CG-CB 3.83Å; R86-D88 WeakPolarHBondContact CG-OD2 3.1Å; R86-D89 HydrophobicContact CB-CB 4.34Å; R86-D89 WeakPolarHBondContact CB-OD2 3.45Å; R86-D89 WeakPolarHBondContact CD-OD1 3.48Å; R86-D89 IonicContact CZ-OD1 3.7Å; R86-D89 IonicContact NH1-OD1 2.66Å; R86-D89 PolarHBondContact NH1-OD1 2.89Å; R86-D89 IonicContact NH1-OD2 3.36Å; R86-D89 PolarHBondContact NH1-OD2 3.5Å; R86-D89 PolarHBondContact O-N 2.95Å |
| 87 | I | 74.6 | Confident | 71.5 | Confident | 78 Ų | 78 | 93.9 Ų | 93.9 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -62 | -45.7 | 173.2 | -59.7 | 168.1 | 0 | 0 | 0 | 109.1 | T72 V74 D89 F90 L91 | T72-I87 PolarHBondContact O-N 3.49Å; V74-I87 HydrophobicContact CG2-CD1 3.72Å; V74-I87 HydrophobicContact CG2-CG1 3.63Å; I87-D89 PolarHBondContact O-N 3.41Å; I87-F90 PolarHBondContact O-N 3.47Å; I87-L91 HydrophobicContact CG2-CD1 4.5Å; I87-L91 HydrophobicContact CG2-CG 4.42Å; I87-L91 PolarHBondContact O-N 3.44Å |
| 88 | D | 74 | Confident | 71.7 | Confident | 76 Ų | 76 | 93.8 Ų | 93.8 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -59.7 | -7.1 | 177.9 | -22.4 | -39.8 | 0 | 0 | 0 | 114.5 | T72 R86 | T72-D88 WeakPolarHBondContact CB-OD1 3.25Å; T72-D88 VanDerWaalsContact CB-OD2 3.29Å; T72-D88 WeakPolarHBondContact CB-OD2 3.41Å; T72-D88 VanDerWaalsContact CG2-OD1 3.25Å; T72-D88 WeakPolarHBondContact CG2-OD1 3.44Å; T72-D88 PolarHBondContact OG1-OD2 2.73Å; R86-D88 VanDerWaalsContact C-N 3.3Å; R86-D88 WeakPolarHBondContact CD-OD2 3.47Å; R86-D88 HydrophobicContact CG-CB 3.83Å; R86-D88 WeakPolarHBondContact CG-OD2 3.1Å |
| 89 | D | 77.9 | Confident | 72 | Confident | 73 Ų | 73 | 95.6 Ų | 95.6 | 39% | 0.39 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -87.5 | -3.8 | 171.2 | -63 | -13.6 | 0 | 0 | 0 | 112.6 | R86 I87 | R86-D89 HydrophobicContact CB-CB 4.34Å; R86-D89 WeakPolarHBondContact CB-OD2 3.45Å; R86-D89 WeakPolarHBondContact CD-OD1 3.48Å; R86-D89 IonicContact CZ-OD1 3.7Å; R86-D89 IonicContact NH1-OD1 2.66Å; R86-D89 PolarHBondContact NH1-OD1 2.89Å; R86-D89 IonicContact NH1-OD2 3.36Å; R86-D89 PolarHBondContact NH1-OD2 3.5Å; R86-D89 PolarHBondContact O-N 2.95Å; I87-D89 PolarHBondContact O-N 3.41Å |
| 90 | F | 73 | Confident | 72.5 | Confident | 56 Ų | 56 | 98.2 Ų | 98.2 | 25% | 0.246 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -132.4 | 9.2 | -179.1 | -55.5 | -67.2 | 0 | 0 | 0 | 113.7 | V85 I87 F113 A115 P116 | V85-F90 HydrophobicContact CB-CE2 3.91Å; V85-F90 HydrophobicContact CB-CZ 4.48Å; V85-F90 HydrophobicContact CG1-CD2 4.5Å; V85-F90 HydrophobicContact CG1-CE2 3.41Å; V85-F90 VanDerWaalsContact CG1-CE2 3.41Å; V85-F90 HydrophobicContact CG1-CZ 3.68Å; V85-F90 HydrophobicContact CG2-CE2 4.47Å; I87-F90 PolarHBondContact O-N 3.47Å; F90-F113 HydrophobicContact CD1-CB 4.49Å; F90-A115 HydrophobicContact CB-CB 4.27Å; F90-A115 HydrophobicContact CG-CB 4.36Å; F90-P116 HydrophobicContact CE1-CG 3.7Å; F90-P116 HydrophobicContact CE2-CG 3.79Å; F90-P116 HydrophobicContact CZ-CG 3.22Å |
| 91 | L | 72 | Confident | 73.2 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -86.9 | 129.6 | 167.3 | -65.4 | 175.9 | 0 | 0 | 0 | 107.7 | I87 P93 | I87-L91 HydrophobicContact CG2-CD1 4.5Å; I87-L91 HydrophobicContact CG2-CG 4.42Å; I87-L91 PolarHBondContact O-N 3.44Å; L91-P93 WeakPolarHBondContact O-CD 3.41Å |
| 92 | D | 71.8 | Confident | 73.8 | Confident | 71 Ų | 71 | 97.3 Ų | 97.3 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | trans | -68.8 | 121.5 | 177 | -169.3 | -26 | 0 | 0 | 0 | 109.4 | G94 D95 | D92-G94 PolarHBondContact O-N 3.44Å; D92-G94 PolarHBondContact OD1-N 2.87Å; D92-D95 HydrophobicContact CB-CB 4.29Å; D92-D95 WeakPolarHBondContact O-CB 3.38Å; D92-D95 PolarHBondContact O-N 3Å | ||
| 93 | P | 66.9 | Low | 73.9 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 74% | 0.74 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.1 | 177.3 | 30.1 | -36.6 | 0 | 0 | 0 | 113.8 | L91 Y97 | L91-P93 WeakPolarHBondContact O-CD 3.41Å; P93-Y97 WeakPolarHBondContact O-CE2 3.41Å |
| 94 | G | 70.8 | Confident | 73.7 | Confident | 38 Ų | 38 | 97.5 Ų | 97.5 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -10.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D92 G96 Y97 | D92-G94 PolarHBondContact O-N 3.44Å; D92-G94 PolarHBondContact OD1-N 2.87Å; G94-G96 PolarHBondContact O-N 3.48Å; G94-Y97 PolarHBondContact O-N 3.33Å |
| 95 | D | 73.1 | Confident | 73.6 | Confident | 142 Ų | 142 | 96.8 Ų | 96.8 | 76% | 0.759 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 127.5 | -177.8 | -171.4 | 20.2 | 0 | 0 | 0 | 111.7 | D92 | D92-D95 HydrophobicContact CB-CB 4.29Å; D92-D95 WeakPolarHBondContact O-CB 3.38Å; D92-D95 PolarHBondContact O-N 3Å |
| 96 | G | 72.3 | Confident | 73.5 | Confident | 78 Ų | 78 | 100.7 Ų | 100.7 | 80% | 0.804 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 4.4 | -176 | 0 | 0 | 0 | 0 | 0 | 116.4 | G94 | G94-G96 PolarHBondContact O-N 3.48Š|
| 97 | Y | 74.5 | Confident | 73.2 | Confident | 159 Ų | 159 | 100 Ų | 100 | 62% | 0.624 | 56% | 0.561 | S | S | * | * | trans | -78.4 | 160.8 | 163.7 | -76.4 | -87.9 | 0 | 0 | 0 | 111.6 | P93 G94 I104 | P93-Y97 WeakPolarHBondContact O-CE2 3.41Å; G94-Y97 PolarHBondContact O-N 3.33Å; Y97-I104 HydrophobicContact CD1-CD1 3.37Å; Y97-I104 HydrophobicContact CE1-CD1 4.1Å; Y97-I104 HydrophobicContact CG-CD1 3.9Å | ||
| 98 | D | 74.8 | Confident | 73 | Confident | 98 Ų | 98 | 103.7 Ų | 103.7 | 52% | 0.524 | 58% | 0.577 | S | S | . | * | trans | -93.1 | 121.6 | 179.9 | -168.2 | -25.4 | 0 | 0 | 0 | 109.6 | Q100 D101 | D98-Q100 PolarHBondContact O-N 2.73Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.14Å; D98-Q100 PolarHBondContact OD1-N 3.02Å; D98-D101 HydrophobicContact CB-CB 4.43Å; D98-D101 WeakPolarHBondContact O-CB 3.32Å; D98-D101 PolarHBondContact O-N 2.74Å | ||
| 99 | T | 72.2 | Confident | 72.7 | Confident | 99 Ų | 99 | 104.7 Ų | 104.7 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -1.8 | 179.3 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | D106 | T99-D106 WeakPolarHBondContact CB-OD2 3.37Š|
| 100 | Q | 71.4 | Confident | 72.2 | Confident | 149 Ų | 149 | 106.7 Ų | 106.7 | 70% | 0.696 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 1.8 | 172.2 | -52 | -58.4 | -78.5 | 0 | 0 | 112.8 | D98 S102 | D98-Q100 PolarHBondContact O-N 2.73Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.14Å; D98-Q100 PolarHBondContact OD1-N 3.02Å; Q100-S102 PolarHBondContact O-N 3.03Å; Q100-S102 VanDerWaalsContact O-N 3.1Å |
| 101 | D | 80.8 | Confident | 72.2 | Confident | 70 Ų | 70 | 109.5 Ų | 109.5 | 37% | 0.374 | 62% | 0.622 | S | S | . | * | trans | -68.4 | 106.9 | 175.6 | -173.6 | -6.2 | 0 | 0 | 0 | 110.4 | D98 F103 I104 | D98-D101 HydrophobicContact CB-CB 4.43Å; D98-D101 WeakPolarHBondContact O-CB 3.32Å; D98-D101 PolarHBondContact O-N 2.74Å; D101-F103 PolarHBondContact O-N 2.66Å; D101-F103 VanDerWaalsContact OD1-CB 3.31Å; D101-F103 WeakPolarHBondContact OD1-CB 3.13Å; D101-F103 PolarHBondContact OD1-N 3.26Å; D101-I104 HydrophobicContact CB-CB 4.5Å; D101-I104 HydrophobicContact CB-CD1 4.1Å; D101-I104 HydrophobicContact CB-CG1 4.19Å; D101-I104 PolarHBondContact O-N 3.48Å | ||
| 102 | S | 76.9 | Confident | 72 | Confident | 127 Ų | 127 | 108.1 Ų | 108.1 | 89% | 0.888 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 0.6 | -179.7 | -48.2 | 0 | 0 | 0 | 0 | 114.6 | Q100 | Q100-S102 PolarHBondContact O-N 3.03Å; Q100-S102 VanDerWaalsContact O-N 3.1Å |
| 103 | F | 73.5 | Confident | 72 | Confident | 189 Ų | 189 | 111.7 Ų | 111.7 | 83% | 0.829 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -13.5 | 167.5 | -175.3 | -110.4 | 0 | 0 | 0 | 113.3 | D101 | D101-F103 PolarHBondContact O-N 2.66Å; D101-F103 VanDerWaalsContact OD1-CB 3.31Å; D101-F103 WeakPolarHBondContact OD1-CB 3.13Å; D101-F103 PolarHBondContact OD1-N 3.26Å |
| 104 | I | 71.1 | Confident | 72 | Confident | 60 Ų | 60 | 109.1 Ų | 109.1 | 31% | 0.308 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -110.6 | 125.3 | -177.3 | -56.9 | 179.2 | 0 | 0 | 0 | 108.5 | Y97 D101 D106 | Y97-I104 HydrophobicContact CD1-CD1 3.37Å; Y97-I104 HydrophobicContact CE1-CD1 4.1Å; Y97-I104 HydrophobicContact CG-CD1 3.9Å; D101-I104 HydrophobicContact CB-CB 4.5Å; D101-I104 HydrophobicContact CB-CD1 4.1Å; D101-I104 HydrophobicContact CB-CG1 4.19Å; D101-I104 PolarHBondContact O-N 3.48Å; I104-D106 PolarHBondContact O-N 2.92Å |
| 105 | D | 73.6 | Confident | 72 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | trans | -97.9 | 85.6 | -177.4 | -167.3 | -10.7 | 0 | 0 | 0 | 110.8 | S107 E108 | D105-S107 PolarHBondContact O-N 3.19Å; D105-S107 VanDerWaalsContact OD1-CB 3.23Å; D105-S107 WeakPolarHBondContact OD1-CB 3.41Å; D105-S107 PolarHBondContact OD1-N 2.86Å; D105-S107 PolarHBondContact OD1-OG 3.28Å; D105-E108 PolarHBondContact O-N 3.32Å | ||
| 106 | D | 70.5 | Confident | 71.8 | Confident | 96 Ų | 96 | 104.3 Ų | 104.3 | 51% | 0.513 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | 1 | 174.1 | -79.7 | 4.8 | 0 | 0 | 0 | 113.6 | T99 I104 | T99-D106 WeakPolarHBondContact CB-OD2 3.37Å; I104-D106 PolarHBondContact O-N 2.92Å |
| 107 | S | 71.2 | Confident | 71.7 | Confident | 101 Ų | 101 | 101.4 Ų | 101.4 | 71% | 0.706 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -11.2 | 173.6 | 82.2 | 0 | 0 | 0 | 0 | 114.7 | D105 | D105-S107 PolarHBondContact O-N 3.19Å; D105-S107 VanDerWaalsContact OD1-CB 3.23Å; D105-S107 WeakPolarHBondContact OD1-CB 3.41Å; D105-S107 PolarHBondContact OD1-N 2.86Å; D105-S107 PolarHBondContact OD1-OG 3.28Å |
| 108 | E | 69.9 | Low | 71.6 | Confident | 157 Ų | 157 | 97.1 Ų | 97.1 | 73% | 0.734 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -79 | 139.7 | 170.6 | -171.9 | 165.7 | -147.5 | 0 | 0 | 111.5 | D105 I110 | D105-E108 PolarHBondContact O-N 3.32Å; E108-I110 PolarHBondContact O-N 3.1Å |
| 109 | A | 67.9 | Low | 71.5 | Confident | 97 Ų | 97 | 95.2 Ų | 95.2 | 80% | 0.802 | 53% | 0.532 | S | S | * | . | trans | -78.3 | 107.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 110 | I | 67.8 | Low | 71.5 | Confident | 114 Ų | 114 | 91.2 Ų | 91.2 | 59% | 0.585 | 51% | 0.508 | S | S | * | . | trans | -86 | 127.3 | -179.1 | -56.1 | 177.1 | 0 | 0 | 0 | 111.4 | E108 V112 | E108-I110 PolarHBondContact O-N 3.1Å; I110-V112 PolarHBondContact O-N 2.63Å | ||
| 111 | D | 73.3 | Confident | 71.6 | Confident | 115 Ų | 115 | 89.1 Ų | 89.1 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | trans | -72.1 | 89.1 | 170.7 | -94 | -18.8 | 0 | 0 | 0 | 110.7 | F113 | D111-F113 WeakPolarHBondContact O-CD2 3.43Å; D111-F113 PolarHBondContact O-N 3.49Å | ||
| 112 | V | 68.3 | Low | 70.9 | Confident | 85 Ų | 85 | 95 Ų | 95 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | trans | -72.1 | 114.8 | 178.4 | -179 | 0 | 0 | 0 | 0 | 111.4 | I110 V114 | I110-V112 PolarHBondContact O-N 2.63Å; V112-V114 PolarHBondContact O-N 2.88Å | ||
| 113 | F | 71.1 | Confident | 70.6 | Confident | 147 Ų | 147 | 90.3 Ų | 90.3 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | trans | -77.9 | 80.1 | 179.2 | -74.6 | -81.7 | 0 | 0 | 0 | 112.8 | F90 D111 A115 | F90-F113 HydrophobicContact CD1-CB 4.49Å; D111-F113 WeakPolarHBondContact O-CD2 3.43Å; D111-F113 PolarHBondContact O-N 3.49Å; F113-A115 PolarHBondContact O-N 2.84Å | ||
| 114 | V | 68.3 | Low | 70.5 | Confident | 60 Ų | 60 | 84.6 Ų | 84.6 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | trans | -55.6 | 131.9 | 174.7 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | V112 I118 T120 | V112-V114 PolarHBondContact O-N 2.88Å; V114-I118 HydrophobicContact CG1-CB 3.67Å; V114-I118 HydrophobicContact CG1-CG2 3.68Å; V114-I118 VanDerWaalsContact CG1-O 3.28Å; V114-I118 WeakPolarHBondContact CG1-O 3.36Å; V114-T120 HydrophobicContact CG2-CG2 4.48Å | ||
| 115 | A | 69 | Low | 70.4 | Confident | 24 Ų | 24 | 93 Ų | 93 | 20% | 0.198 | 51% | 0.514 | C | S | . | . | trans | -63.3 | 147.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F90 F113 N117 I118 | F90-A115 HydrophobicContact CB-CB 4.27Å; F90-A115 HydrophobicContact CG-CB 4.36Å; F113-A115 PolarHBondContact O-N 2.84Å; A115-N117 WeakPolarHBondContact CB-OD1 3.22Å; A115-N117 PolarHBondContact O-N 3.05Å; A115-I118 PolarHBondContact O-N 3.25Å; A115-I118 VanDerWaalsContact O-O 3.07Å | ||
| 116 | P | 68.8 | Low | 70.1 | Confident | 55 Ų | 55 | 92.1 Ų | 92.1 | 36% | 0.357 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 2.6 | -167.2 | -15 | 31 | 0 | 0 | 0 | 116 | M76 F90 | M76-P116 HydrophobicContact CE-CB 3.99Å; M76-P116 HydrophobicContact CE-CG 4.34Å; F90-P116 HydrophobicContact CE1-CG 3.7Å; F90-P116 HydrophobicContact CE2-CG 3.79Å; F90-P116 HydrophobicContact CZ-CG 3.22Å |
| 117 | N | 70.8 | Confident | 70.1 | Confident | 17 Ų | 17 | 94.7 Ų | 94.7 | 9% | 0.091 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -7.2 | 166.3 | 56.7 | -55.5 | 0 | 0 | 0 | 112.4 | M76 A115 E136 D137 A140 | M76-N117 HydrophobicContact CE-CB 4.25Å; A115-N117 WeakPolarHBondContact CB-OD1 3.22Å; A115-N117 PolarHBondContact O-N 3.05Å; N117-E136 HydrophobicContact CB-CG 4.44Å; N117-E136 PolarHBondContact ND2-OE1 2.9Å; N117-E136 CarbonylContact O-C 3.47Å; N117-E136 WeakPolarHBondContact O-CA 3.46Å; N117-E136 WeakPolarHBondContact O-CG 3.25Å; N117-D137 PolarHBondContact O-N 2.89Å; N117-A140 HydrophobicContact CB-CB 3.87Å |
| 118 | I | 72.6 | Confident | 70 | Confident | 68 Ų | 68 | 95 Ų | 95 | 35% | 0.349 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.6 | -179.8 | -56.8 | 174.2 | 0 | 0 | 0 | 108.2 | V114 A115 L135 | V114-I118 HydrophobicContact CG1-CB 3.67Å; V114-I118 HydrophobicContact CG1-CG2 3.68Å; V114-I118 VanDerWaalsContact CG1-O 3.28Å; V114-I118 WeakPolarHBondContact CG1-O 3.36Å; A115-I118 PolarHBondContact O-N 3.25Å; A115-I118 VanDerWaalsContact O-O 3.07Å; I118-L135 WeakPolarHBondContact CA-O 3.46Å |
| 119 | S | 71.8 | Confident | 69.9 | Low | 58 Ų | 58 | 96.7 Ų | 96.7 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.9 | 166.4 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | L135 | S119-L135 PolarHBondContact N-O 2.95Å; S119-L135 PolarHBondContact O-N 3.15Å |
| 120 | T | 74 | Confident | 69.9 | Low | 15 Ų | 15 | 95 Ų | 95 | 9% | 0.092 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 154.8 | 171.1 | 63 | 0 | 0 | 0 | 0 | 110.6 | V114 F122 G123 F126 V132 | V114-T120 HydrophobicContact CG2-CG2 4.48Å; T120-F122 PolarHBondContact O-N 3.09Å; T120-G123 PolarHBondContact O-N 3.48Å; T120-F126 HydrophobicContact CG2-CD1 4.08Å; T120-F126 HydrophobicContact CG2-CE1 3.31Å; T120-F126 HydrophobicContact CG2-CZ 3.63Å; T120-V132 HydrophobicContact CG2-CG1 3.62Å |
| 121 | K | 72.3 | Confident | 69.9 | Low | 106 Ų | 106 | 97.4 Ų | 97.4 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -33.8 | -170.9 | -165.9 | 179.9 | -160 | 160.8 | 0 | 115.9 | E133 | K121-E133 VanDerWaalsContact CD-OE2 3.26Å; K121-E133 WeakPolarHBondContact CD-OE2 3.46Å; K121-E133 VanDerWaalsContact CE-OE2 3.24Å; K121-E133 WeakPolarHBondContact CE-OE2 3.22Å; K121-E133 PolarHBondContact N-O 3.32Å; K121-E133 IonicContact NZ-OE1 3.66Å; K121-E133 IonicContact NZ-OE2 2.64Å; K121-E133 PolarHBondContact NZ-OE2 2.68Å |
| 122 | F | 67.5 | Low | 69.5 | Low | 194 Ų | 194 | 94.8 Ų | 94.8 | 85% | 0.851 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -6.9 | -178.9 | -56.6 | -72.5 | 0 | 0 | 0 | 113.7 | T120 | T120-F122 PolarHBondContact O-N 3.09Š|
| 123 | G | 69 | Low | 69.6 | Low | 28 Ų | 28 | 96.5 Ų | 96.5 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | trans | 69.6 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T120 | T120-G123 PolarHBondContact O-N 3.48Š| ||
| 124 | G | 71.7 | Confident | 69.4 | Low | 69 Ų | 69 | 91.6 Ų | 91.6 | 71% | 0.711 | 51% | 0.508 | S | S | * | . | S | Bend | trans | 71.4 | -160.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 125 | Y | 68.7 | Low | 69.5 | Low | 236 Ų | 236 | 93.5 Ų | 93.5 | 93% | 0.925 | 52% | 0.516 | S | S | * | . | trans | -88.9 | 138.2 | 172.6 | -55.7 | -85.6 | 0 | 0 | 0 | 109.5 | ||||
| 126 | F | 68.4 | Low | 69.4 | Low | 93 Ų | 93 | 98.6 Ų | 98.6 | 41% | 0.408 | 54% | 0.535 | S | S | . | . | trans | -147.6 | 154.2 | -178.6 | 67.8 | -71.1 | 0 | 0 | 0 | 107.3 | T120 H128 V132 | T120-F126 HydrophobicContact CG2-CD1 4.08Å; T120-F126 HydrophobicContact CG2-CE1 3.31Å; T120-F126 HydrophobicContact CG2-CZ 3.63Å; F126-H128 HydrophobicContact CD2-CB 3.91Å; F126-H128 HydrophobicContact CE2-CB 3.72Å; F126-V132 HydrophobicContact CE2-CB 4.47Å; F126-V132 HydrophobicContact CE2-CG1 3.79Å; F126-V132 HydrophobicContact CE2-CG2 3.82Å; F126-V132 HydrophobicContact CZ-CB 4.4Å; F126-V132 HydrophobicContact CZ-CG1 3.54Å; F126-V132 HydrophobicContact CZ-CG2 3.88Å | ||
| 127 | V | 70.3 | Confident | 69.2 | Low | 150 Ų | 150 | 99.1 Ų | 99.1 | 91% | 0.909 | 54% | 0.535 | S | S | * | . | trans | -112.1 | 131.6 | 172.8 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 128 | H | 67.9 | Low | 68.8 | Low | 107 Ų | 107 | 107.4 Ų | 107.4 | 50% | 0.495 | 57% | 0.573 | S | S | . | * | trans | -143 | 147.1 | -178.2 | -178.8 | 63.8 | 0 | 0 | 0 | 109.9 | F126 G130 I131 | F126-H128 HydrophobicContact CD2-CB 3.91Å; F126-H128 HydrophobicContact CE2-CB 3.72Å; H128-G130 PolarHBondContact CD2-O 3.15Å; H128-G130 VanDerWaalsContact CD2-O 3.29Å; H128-I131 PolarHBondContact NE2-O 3.03Å | ||
| 129 | Q | 68.3 | Low | 68.3 | Low | 193 Ų | 193 | 107.6 Ų | 107.6 | 90% | 0.902 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -113.6 | 112.2 | 172.7 | -175.2 | -179.6 | 14.9 | 0 | 0 | 107.4 | ||
| 130 | G | 68.8 | Low | 67.8 | Low | 61 Ų | 61 | 105.1 Ų | 105.1 | 63% | 0.629 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 118.1 | -165.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H128 | H128-G130 PolarHBondContact CD2-O 3.15Å; H128-G130 VanDerWaalsContact CD2-O 3.29Å |
| 131 | I | 66.4 | Low | 67.4 | Low | 164 Ų | 164 | 112.1 Ų | 112.1 | 84% | 0.841 | 59% | 0.593 | S | S | * | * | trans | -81.2 | 121.9 | -175.1 | -57.8 | 175.2 | 0 | 0 | 0 | 110.3 | H128 | H128-I131 PolarHBondContact NE2-O 3.03Š| ||
| 132 | V | 66.3 | Low | 67 | Low | 61 Ų | 61 | 111.2 Ų | 111.2 | 37% | 0.37 | 59% | 0.592 | S | S | . | * | trans | -75 | 123.5 | -176.8 | 179.3 | 0 | 0 | 0 | 0 | 112 | T120 F126 G134 | T120-V132 HydrophobicContact CG2-CG1 3.62Å; F126-V132 HydrophobicContact CE2-CB 4.47Å; F126-V132 HydrophobicContact CE2-CG1 3.79Å; F126-V132 HydrophobicContact CE2-CG2 3.82Å; F126-V132 HydrophobicContact CZ-CB 4.4Å; F126-V132 HydrophobicContact CZ-CG1 3.54Å; F126-V132 HydrophobicContact CZ-CG2 3.88Å; V132-G134 PolarHBondContact O-N 2.92Å; V132-G134 VanDerWaalsContact O-N 3.12Å | ||
| 133 | E | 69.1 | Low | 66.9 | Low | 120 Ų | 120 | 105.2 Ų | 105.2 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | trans | -69.3 | 104.6 | 168.6 | -72.9 | -171.9 | -166.5 | 0 | 0 | 111.9 | K121 | K121-E133 VanDerWaalsContact CD-OE2 3.26Å; K121-E133 WeakPolarHBondContact CD-OE2 3.46Å; K121-E133 VanDerWaalsContact CE-OE2 3.24Å; K121-E133 WeakPolarHBondContact CE-OE2 3.22Å; K121-E133 PolarHBondContact N-O 3.32Å; K121-E133 IonicContact NZ-OE1 3.66Å; K121-E133 IonicContact NZ-OE2 2.64Å; K121-E133 PolarHBondContact NZ-OE2 2.68Å | ||
| 134 | G | 68 | Low | 66.4 | Low | 44 Ų | 44 | 106.2 Ų | 106.2 | 45% | 0.454 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 132.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V132 | V132-G134 PolarHBondContact O-N 2.92Å; V132-G134 VanDerWaalsContact O-N 3.12Å |
| 135 | L | 68.9 | Low | 65.8 | Low | 101 Ų | 101 | 104.6 Ų | 104.6 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.3 | 164.9 | -64.6 | 176.6 | 0 | 0 | 0 | 109.2 | I118 S119 D137 | I118-L135 WeakPolarHBondContact CA-O 3.46Å; S119-L135 PolarHBondContact N-O 2.95Å; S119-L135 PolarHBondContact O-N 3.15Å; L135-D137 PolarHBondContact O-N 3.38Å |
| 136 | E | 67 | Low | 65 | Low | 130 Ų | 130 | 103 Ų | 103 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 116.2 | 174.7 | -165 | 172.6 | -158.6 | 0 | 0 | 111.3 | N117 Q138 | N117-E136 HydrophobicContact CB-CG 4.44Å; N117-E136 PolarHBondContact ND2-OE1 2.9Å; N117-E136 CarbonylContact O-C 3.47Å; N117-E136 WeakPolarHBondContact O-CA 3.46Å; N117-E136 WeakPolarHBondContact O-CG 3.25Å; E136-Q138 PolarHBondContact O-N 3.02Å; E136-Q138 VanDerWaalsContact O-N 3.14Å |
| 137 | D | 65.4 | Low | 64.4 | Low | 67 Ų | 67 | 102.3 Ų | 102.3 | 36% | 0.358 | 55% | 0.548 | S | S | . | . | trans | -74.8 | 95.6 | 173.5 | 179 | 0.5 | 0 | 0 | 0 | 110 | N117 L135 S139 A140 | N117-D137 PolarHBondContact O-N 2.89Å; L135-D137 PolarHBondContact O-N 3.38Å; D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 WeakPolarHBondContact OD1-CB 3.4Å; D137-S139 PolarHBondContact OD1-N 3.16Å; D137-S139 PolarHBondContact OD1-OG 3.41Å; D137-S139 PolarHBondContact OD2-OG 3.47Å; D137-S139 VanDerWaalsContact OD2-OG 3.09Å; D137-A140 WeakPolarHBondContact O-CB 3.49Å; D137-A140 PolarHBondContact O-N 2.93Å | ||
| 138 | Q | 62.4 | Low | 63.7 | Low | 191 Ų | 191 | 97.2 Ų | 97.2 | 89% | 0.893 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -11.5 | 178.4 | -58.7 | -178 | 14.4 | 0 | 0 | 114.3 | E136 A140 | E136-Q138 PolarHBondContact O-N 3.02Å; E136-Q138 VanDerWaalsContact O-N 3.14Å; Q138-A140 VanDerWaalsContact C-N 3.34Å |
| 139 | S | 62.4 | Low | 62.9 | Low | 72 Ų | 72 | 96.2 Ų | 96.2 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -20 | 173.5 | 82.3 | 0 | 0 | 0 | 0 | 113.6 | D137 K141 | D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 WeakPolarHBondContact OD1-CB 3.4Å; D137-S139 PolarHBondContact OD1-N 3.16Å; D137-S139 PolarHBondContact OD1-OG 3.41Å; D137-S139 PolarHBondContact OD2-OG 3.47Å; D137-S139 VanDerWaalsContact OD2-OG 3.09Å; S139-K141 PolarHBondContact O-N 3Å; S139-K141 VanDerWaalsContact O-N 3.14Å |
| 140 | A | 61.1 | Low | 62 | Low | 6 Ų | 6 | 92.5 Ų | 92.5 | 5% | 0.05 | 50% | 0.499 | C | S | . | . | trans | -86.7 | 74.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.5 | N117 D137 Q138 I142 | N117-A140 HydrophobicContact CB-CB 3.87Å; D137-A140 WeakPolarHBondContact O-CB 3.49Å; D137-A140 PolarHBondContact O-N 2.93Å; Q138-A140 VanDerWaalsContact C-N 3.34Å; A140-I142 PolarHBondContact O-N 2.84Å; A140-I142 VanDerWaalsContact O-N 3.1Å | ||
| 141 | K | 65.1 | Low | 61.1 | Low | 161 Ų | 161 | 96.7 Ų | 96.7 | 70% | 0.7 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 112.7 | -177.6 | -167.7 | 159.2 | -171.8 | 162.3 | 0 | 112.4 | K77 S139 E143 | K77-K141 PolarHBondContact N-O 2.86Å; K77-K141 VanDerWaalsContact N-O 3.15Å; K77-K141 PolarHBondContact O-N 3.49Å; S139-K141 PolarHBondContact O-N 3Å; S139-K141 VanDerWaalsContact O-N 3.14Å; K141-E143 PolarHBondContact O-N 3.31Å |
| 142 | I | 63.7 | Low | 60.4 | Low | 87 Ų | 87 | 94.1 Ų | 94.1 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 119.2 | 169.5 | -50.9 | -172.1 | 0 | 0 | 0 | 108.8 | V74 M76 A140 | V74-I142 HydrophobicContact CG1-CG2 3.43Å; V74-I142 VanDerWaalsContact CG1-CG2 3.43Å; M76-I142 HydrophobicContact CE-CG1 4.06Å; M76-I142 HydrophobicContact SD-CB 4.31Å; M76-I142 HydrophobicContact SD-CG1 3.83Å; M76-I142 HydrophobicContact SD-CG2 4.31Å; A140-I142 PolarHBondContact O-N 2.84Å; A140-I142 VanDerWaalsContact O-N 3.1Å |
| 143 | E | 65.5 | Low | 59.1 | Low | 68 Ų | 68 | 95.8 Ų | 95.8 | 32% | 0.318 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 113 | -178.8 | -154.3 | -167.6 | -149.7 | 0 | 0 | 111.2 | V74 T75 K141 R149 | V74-E143 WeakPolarHBondContact CG1-O 3.5Å; T75-E143 PolarHBondContact N-O 2.73Å; T75-E143 WeakPolarHBondContact O-CA 3.35Å; T75-E143 VanDerWaalsContact O-CB 3.27Å; T75-E143 WeakPolarHBondContact O-CB 3.07Å; T75-E143 PolarHBondContact O-N 3.28Å; K141-E143 PolarHBondContact O-N 3.31Å; E143-R149 IonicContact OE1-CZ 2.68Å; E143-R149 IonicContact OE1-NH1 3.12Å; E143-R149 PolarHBondContact OE1-NH1 2.93Å; E143-R149 IonicContact OE1-NH2 3.16Å; E143-R149 IonicContact OE2-CZ 3.98Å; E143-R149 IonicContact OE2-NH1 3.57Å; E143-R149 PolarHBondContact OE2-NH1 3.21Å; E143-R149 IonicContact OE2-NH2 3.09Å; E143-R149 PolarHBondContact OE2-NH2 2.96Å |
| 144 | A | 60.1 | Low | 58 | Low | 49 Ų | 49 | 95.7 Ų | 95.7 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | trans | -52.7 | 150.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A148 R149 | A144-A148 HydrophobicContact CB-CB 4.39Å; A144-R149 VanDerWaalsContact O-CZ 3.31Å; A144-R149 PolarHBondContact O-NE 3.27Å; A144-R149 PolarHBondContact O-NH2 3.27Å | ||
| 145 | P | 57.9 | Low | 57.1 | Low | 36 Ų | 36 | 100.8 Ų | 100.8 | 23% | 0.234 | 53% | 0.53 | C | S | . | . | trans | -49.8 | 148.3 | 179.3 | -29.4 | 36.4 | 0 | 0 | 0 | 113.8 | S147 A148 | P145-S147 PolarHBondContact O-N 3.42Å; P145-S147 VanDerWaalsContact O-N 3.09Å; P145-A148 PolarHBondContact O-N 3.47Å | ||
| 146 | W | 52.4 | Low | 55.9 | Low | 201 Ų | 201 | 97.6 Ų | 97.6 | 76% | 0.761 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -53.5 | -32.9 | -176.4 | 168.5 | -80.4 | 0 | 0 | 0 | 113.5 | R149 I150 | W146-R149 PolarHBondContact O-N 3.06Å; W146-I150 PolarHBondContact O-N 3.01Å |
| 147 | S | 55.6 | Low | 55 | Low | 79 Ų | 79 | 95.7 Ų | 95.7 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.4 | -49.6 | 174.9 | 41.9 | 0 | 0 | 0 | 0 | 112.8 | P145 R149 I150 | P145-S147 PolarHBondContact O-N 3.42Å; P145-S147 VanDerWaalsContact O-N 3.09Å; S147-R149 PolarHBondContact O-N 3.08Å; S147-I150 PolarHBondContact O-N 3.1Å; S147-I150 VanDerWaalsContact O-N 3.14Å |
| 148 | A | 54.6 | Low | 54.4 | Low | 43 Ų | 43 | 98.9 Ų | 98.9 | 36% | 0.355 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -30.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A144 P145 I150 T152 | A144-A148 HydrophobicContact CB-CB 4.39Å; P145-A148 PolarHBondContact O-N 3.47Å; A148-I150 VanDerWaalsContact C-N 3.33Å; A148-I150 PolarHBondContact O-N 3.37Å; A148-T152 WeakPolarHBondContact O-CG2 3.5Å; A148-T152 PolarHBondContact O-N 3.45Å; A148-T152 PolarHBondContact O-OG1 2.96Å |
| 149 | R | 51.2 | Low | 53.9 | Low | 87 Ų | 87 | 94.1 Ų | 94.1 | 33% | 0.328 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76.3 | -12.2 | 177.7 | -80.5 | -178 | -85.6 | 175.5 | -18.2 | 115.1 | E143 A144 W146 S147 | E143-R149 IonicContact OE1-CZ 2.68Å; E143-R149 IonicContact OE1-NH1 3.12Å; E143-R149 PolarHBondContact OE1-NH1 2.93Å; E143-R149 IonicContact OE1-NH2 3.16Å; E143-R149 IonicContact OE2-CZ 3.98Å; E143-R149 IonicContact OE2-NH1 3.57Å; E143-R149 PolarHBondContact OE2-NH1 3.21Å; E143-R149 IonicContact OE2-NH2 3.09Å; E143-R149 PolarHBondContact OE2-NH2 2.96Å; A144-R149 VanDerWaalsContact O-CZ 3.31Å; A144-R149 PolarHBondContact O-NE 3.27Å; A144-R149 PolarHBondContact O-NH2 3.27Å; W146-R149 PolarHBondContact O-N 3.06Å; S147-R149 PolarHBondContact O-N 3.08Å |
| 150 | I | 51.1 | Low | 53.5 | Low | 114 Ų | 114 | 95.7 Ų | 95.7 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -83.6 | -42.1 | 171.1 | -71.5 | -179.9 | 0 | 0 | 0 | 110.7 | W146 S147 A148 T152 | W146-I150 PolarHBondContact O-N 3.01Å; S147-I150 PolarHBondContact O-N 3.1Å; S147-I150 VanDerWaalsContact O-N 3.14Å; A148-I150 VanDerWaalsContact C-N 3.33Å; A148-I150 PolarHBondContact O-N 3.37Å; I150-T152 VanDerWaalsContact C-N 3.33Å; I150-T152 PolarHBondContact O-N 3.3Å |
| 151 | L | 49.5 | Very low | 53.2 | Low | 150 Ų | 150 | 100.4 Ų | 100.4 | 79% | 0.785 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.9 | -20.6 | -176.4 | -66.8 | 170.3 | 0 | 0 | 0 | 114.1 | ||
| 152 | T | 51 | Low | 52.7 | Low | 110 Ų | 110 | 100.6 Ų | 100.6 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 2.5 | -171.5 | 47.9 | 0 | 0 | 0 | 0 | 115 | A148 I150 | A148-T152 WeakPolarHBondContact O-CG2 3.5Å; A148-T152 PolarHBondContact O-N 3.45Å; A148-T152 PolarHBondContact O-OG1 2.96Å; I150-T152 VanDerWaalsContact C-N 3.33Å; I150-T152 PolarHBondContact O-N 3.3Å |
| 153 | N | 39.5 | Very low | 52.5 | Low | 95 Ų | 95 | 104.6 Ų | 104.6 | 51% | 0.508 | 55% | 0.55 | S | S | . | * | trans | -117.7 | 60.7 | -172.2 | -166.6 | 7.8 | 0 | 0 | 0 | 113.7 | N155 | N153-N155 PolarHBondContact O-N 3.41Š| ||
| 154 | T | 45.6 | Very low | 52.5 | Low | 118 Ų | 118 | 109 Ų | 109 | 72% | 0.724 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -15.6 | 174.8 | 45 | 0 | 0 | 0 | 0 | 113.9 | S156 | T154-S156 PolarHBondContact O-N 3.37Š|
| 155 | N | 49.9 | Very low | 53 | Low | 151 Ų | 151 | 111.8 Ų | 111.8 | 81% | 0.807 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 24.8 | -171.5 | -69.3 | -27.8 | 0 | 0 | 0 | 115 | N153 | N153-N155 PolarHBondContact O-N 3.41Š|
| 156 | S | 42.9 | Very low | 53.7 | Low | 34 Ų | 34 | 116.1 Ų | 116.1 | 24% | 0.238 | 59% | 0.592 | C | S | . | * | trans | -120.4 | 30.4 | -171.8 | -135.4 | 0 | 0 | 0 | 0 | 116.8 | T154 Q158 N159 | T154-S156 PolarHBondContact O-N 3.37Å; S156-Q158 PolarHBondContact O-N 3.3Å; S156-N159 PolarHBondContact O-N 2.98Å; S156-N159 PolarHBondContact OG-ND2 2.89Å | ||
| 157 | S | 47.1 | Very low | 54.8 | Low | 90 Ų | 90 | 109.8 Ų | 109.8 | 63% | 0.629 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -51.5 | -33.4 | -179.1 | -49.6 | 0 | 0 | 0 | 0 | 114.5 | N159 | S157-N159 VanDerWaalsContact C-N 3.34Å; S157-N159 PolarHBondContact O-N 2.95Å |
| 158 | Q | 54.5 | Low | 56.1 | Low | 135 Ų | 135 | 112.4 Ų | 112.4 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.1 | -30.4 | 177.1 | -72.4 | -160.6 | 1.8 | 0 | 0 | 114.3 | S156 R162 | S156-Q158 PolarHBondContact O-N 3.3Å; Q158-R162 PolarHBondContact O-N 3.31Å |
| 159 | N | 51.3 | Low | 57.4 | Low | 91 Ų | 91 | 114.5 Ų | 114.5 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.1 | -29.8 | -177.4 | -82.8 | -47.1 | 0 | 0 | 0 | 112.8 | S156 S157 K163 | S156-N159 PolarHBondContact O-N 2.98Å; S156-N159 PolarHBondContact OG-ND2 2.89Å; S157-N159 VanDerWaalsContact C-N 3.34Å; S157-N159 PolarHBondContact O-N 2.95Å; N159-K163 PolarHBondContact O-N 3.22Å |
| 160 | V | 52.8 | Low | 58.8 | Low | 105 Ų | 105 | 115.6 Ų | 115.6 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.3 | -43.7 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | R162 K163 K164 | V160-R162 PolarHBondContact O-N 3.14Å; V160-K163 PolarHBondContact O-N 3.26Å; V160-K164 PolarHBondContact O-N 3.28Å |
| 161 | I | 55.1 | Low | 60.4 | Low | 104 Ų | 104 | 115.2 Ų | 115.2 | 53% | 0.533 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.2 | -46.2 | 178.1 | -61.1 | 169.8 | 0 | 0 | 0 | 110.8 | K163 K164 N165 | I161-K163 VanDerWaalsContact C-N 3.34Å; I161-K163 PolarHBondContact O-N 3.13Å; I161-K164 PolarHBondContact O-N 3.03Å; I161-N165 PolarHBondContact O-N 2.86Å; I161-N165 VanDerWaalsContact O-N 3.17Å |
| 162 | R | 55.5 | Low | 62 | Low | 166 Ų | 166 | 112.5 Ų | 112.5 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.8 | -37.4 | 178.5 | -67.7 | 178.1 | -173.7 | -178.6 | 4.3 | 112.6 | Q158 V160 K166 | Q158-R162 PolarHBondContact O-N 3.31Å; V160-R162 PolarHBondContact O-N 3.14Å; R162-K166 PolarHBondContact O-N 3.33Å |
| 163 | K | 59.3 | Low | 63.6 | Low | 170 Ų | 170 | 113.2 Ų | 113.2 | 74% | 0.739 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.5 | -42.9 | 173.7 | -86.9 | -174.5 | 173.3 | 180 | 0 | 112.8 | N159 V160 I161 N165 K166 S167 | N159-K163 PolarHBondContact O-N 3.22Å; V160-K163 PolarHBondContact O-N 3.26Å; I161-K163 VanDerWaalsContact C-N 3.34Å; I161-K163 PolarHBondContact O-N 3.13Å; K163-N165 PolarHBondContact O-N 3.14Å; K163-K166 PolarHBondContact O-N 3.33Å; K163-S167 PolarHBondContact O-N 3.19Å; K163-S167 VanDerWaalsContact O-N 3.14Å |
| 164 | K | 64.8 | Low | 65.5 | Low | 162 Ų | 162 | 111 Ų | 111 | 70% | 0.704 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.8 | -43.6 | -178.9 | -165.5 | 171.7 | -176.6 | 176.7 | 0 | 111.8 | V160 I161 K166 S167 K168 | V160-K164 PolarHBondContact O-N 3.28Å; I161-K164 PolarHBondContact O-N 3.03Å; K164-K166 PolarHBondContact O-N 3.33Å; K164-S167 PolarHBondContact O-N 3.36Å; K164-K168 PolarHBondContact O-N 2.71Å; K164-K168 VanDerWaalsContact O-N 3.14Å |
| 165 | N | 70.7 | Confident | 67.3 | Low | 107 Ų | 107 | 109.4 Ų | 109.4 | 57% | 0.572 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.4 | -40.9 | 177.1 | -71.4 | -1.2 | 0 | 0 | 0 | 112.7 | I161 K163 S167 K168 E169 | I161-N165 PolarHBondContact O-N 2.86Å; I161-N165 VanDerWaalsContact O-N 3.17Å; K163-N165 PolarHBondContact O-N 3.14Å; N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 3.47Å; N165-K168 PolarHBondContact O-N 3.05Å; N165-E169 PolarHBondContact O-N 2.8Å |
| 166 | K | 74 | Confident | 68.9 | Low | 126 Ų | 126 | 110 Ų | 110 | 55% | 0.548 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.8 | -35.9 | 178.6 | -155.2 | 76.3 | -179.6 | 164.7 | 0 | 112.6 | R162 K163 K164 E169 L170 | R162-K166 PolarHBondContact O-N 3.33Å; K163-K166 PolarHBondContact O-N 3.33Å; K164-K166 PolarHBondContact O-N 3.33Å; K166-E169 IonicContact NZ-OE2 2.83Å; K166-L170 WeakPolarHBondContact O-CG 3.45Å; K166-L170 PolarHBondContact O-N 3.06Å |
| 167 | S | 75.6 | Confident | 70.4 | Confident | 69 Ų | 69 | 118.4 Ų | 118.4 | 48% | 0.483 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.6 | -43.7 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | K163 K164 N165 L170 L171 | K163-S167 PolarHBondContact O-N 3.19Å; K163-S167 VanDerWaalsContact O-N 3.14Å; K164-S167 PolarHBondContact O-N 3.36Å; N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 3.47Å; S167-L170 PolarHBondContact O-N 3.12Å; S167-L171 PolarHBondContact O-N 3.03Å |
| 168 | K | 82.9 | Confident | 71.6 | Confident | 134 Ų | 134 | 121.1 Ų | 121.1 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.9 | -45.2 | 174.9 | -168.8 | -176 | 175.1 | -173.7 | 0 | 112 | K164 N165 L170 L171 D172 | K164-K168 PolarHBondContact O-N 2.71Å; K164-K168 VanDerWaalsContact O-N 3.14Å; N165-K168 PolarHBondContact O-N 3.05Å; K168-L170 VanDerWaalsContact C-N 3.29Å; K168-L170 PolarHBondContact O-N 2.81Å; K168-L171 PolarHBondContact O-N 3.31Å; K168-L171 VanDerWaalsContact O-N 3.13Å; K168-D172 WeakPolarHBondContact CE-OD2 3.23Å; K168-D172 PolarHBondContact O-N 3.32Å |
| 169 | E | 80.8 | Confident | 72.4 | Confident | 87 Ų | 87 | 118.9 Ų | 118.9 | 41% | 0.407 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -56.9 | -41.8 | 177.6 | -164.3 | -150.9 | 145.7 | 0 | 0 | 111.7 | N165 K166 K173 | N165-E169 PolarHBondContact O-N 2.8Å; K166-E169 IonicContact NZ-OE2 2.83Å; E169-K173 WeakPolarHBondContact O-CB 3.33Å; E169-K173 PolarHBondContact O-N 3.27Å; E169-K173 VanDerWaalsContact O-N 3.09Å; E169-K173 IonicContact OE1-NZ 2.66Å; E169-K173 PolarHBondContact OE1-NZ 3.47Å |
| 170 | L | 81.8 | Confident | 72.9 | Confident | 110 Ų | 110 | 119 Ų | 119 | 58% | 0.576 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70 | -36.4 | 177.3 | -72.9 | 171.9 | 0 | 0 | 0 | 112.8 | K166 S167 K168 A174 | K166-L170 WeakPolarHBondContact O-CG 3.45Å; K166-L170 PolarHBondContact O-N 3.06Å; S167-L170 PolarHBondContact O-N 3.12Å; K168-L170 VanDerWaalsContact C-N 3.29Å; K168-L170 PolarHBondContact O-N 2.81Å; L170-A174 WeakPolarHBondContact O-CB 3.36Å; L170-A174 PolarHBondContact O-N 2.95Å |
| 171 | L | 82.7 | Confident | 72.7 | Confident | 106 Ų | 106 | 119.7 Ų | 119.7 | 56% | 0.555 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.2 | -49.9 | 175 | -77.1 | 166 | 0 | 0 | 0 | 111.8 | S167 K168 K173 A174 V175 | S167-L171 PolarHBondContact O-N 3.03Å; K168-L171 PolarHBondContact O-N 3.31Å; K168-L171 VanDerWaalsContact O-N 3.13Å; L171-K173 PolarHBondContact O-N 3.33Å; L171-A174 PolarHBondContact O-N 2.85Å; L171-V175 WeakPolarHBondContact O-CG2 3.29Å; L171-V175 PolarHBondContact O-N 2.68Å |
| 172 | D | 83.6 | Confident | 72.3 | Confident | 92 Ų | 92 | 122.2 Ų | 122.2 | 49% | 0.492 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -58.3 | -37.1 | 176.6 | -73.1 | -28.8 | 0 | 0 | 0 | 111.1 | K168 K176 | K168-D172 WeakPolarHBondContact CE-OD2 3.23Å; K168-D172 PolarHBondContact O-N 3.32Å; D172-K176 VanDerWaalsContact O-CB 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.47Å; D172-K176 PolarHBondContact O-N 2.99Å |
| 173 | K | 85 | Confident | 71.6 | Confident | 125 Ų | 125 | 118.9 Ų | 118.9 | 54% | 0.543 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -74.6 | -25.8 | 177.7 | -159 | 171.7 | -152.5 | 157.6 | 0 | 113.4 | E169 L171 R177 | E169-K173 WeakPolarHBondContact O-CB 3.33Å; E169-K173 PolarHBondContact O-N 3.27Å; E169-K173 VanDerWaalsContact O-N 3.09Å; E169-K173 IonicContact OE1-NZ 2.66Å; E169-K173 PolarHBondContact OE1-NZ 3.47Å; L171-K173 PolarHBondContact O-N 3.33Å; K173-R177 WeakPolarHBondContact O-CG 3.26Å; K173-R177 PolarHBondContact O-N 3.24Å |
| 174 | A | 79 | Confident | 70.7 | Confident | 49 Ų | 49 | 119.9 Ų | 119.9 | 41% | 0.405 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -78.2 | -45.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L170 L171 K176 R177 L178 | L170-A174 WeakPolarHBondContact O-CB 3.36Å; L170-A174 PolarHBondContact O-N 2.95Å; L171-A174 PolarHBondContact O-N 2.85Å; A174-K176 PolarHBondContact O-N 3.13Å; A174-R177 WeakPolarHBondContact O-CA 3.38Å; A174-R177 WeakPolarHBondContact O-CB 3.43Å; A174-R177 PolarHBondContact O-N 2.92Å; A174-L178 PolarHBondContact O-N 2.95Å |
| 175 | V | 83.4 | Confident | 69.9 | Low | 85 Ų | 85 | 121 Ų | 121 | 52% | 0.515 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -58.2 | -48 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | L171 R177 L178 S179 | L171-V175 WeakPolarHBondContact O-CG2 3.29Å; L171-V175 PolarHBondContact O-N 2.68Å; V175-R177 PolarHBondContact O-N 3.23Å; V175-R177 VanDerWaalsContact O-N 3.12Å; V175-L178 PolarHBondContact O-N 2.97Å; V175-S179 PolarHBondContact O-N 3.17Å; V175-S179 PolarHBondContact O-OG 3.32Å; V175-S179 VanDerWaalsContact O-OG 3.11Å |
| 176 | K | 83.7 | Confident | 68.4 | Low | 164 Ų | 164 | 121.8 Ų | 121.8 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.2 | -14.9 | 176.5 | -166.3 | 164.1 | -174.3 | 169.6 | 0 | 114.3 | D172 A174 | D172-K176 VanDerWaalsContact O-CB 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.47Å; D172-K176 PolarHBondContact O-N 2.99Å; A174-K176 PolarHBondContact O-N 3.13Å |
| 177 | R | 74.6 | Confident | 66.7 | Low | 209 Ų | 209 | 125.6 Ų | 125.6 | 79% | 0.789 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -87.2 | -17.2 | 170.3 | -78.9 | -79.8 | 178.6 | 161 | -3.1 | 113.5 | K173 A174 V175 | K173-R177 WeakPolarHBondContact O-CG 3.26Å; K173-R177 PolarHBondContact O-N 3.24Å; A174-R177 WeakPolarHBondContact O-CA 3.38Å; A174-R177 WeakPolarHBondContact O-CB 3.43Å; A174-R177 PolarHBondContact O-N 2.92Å; V175-R177 PolarHBondContact O-N 3.23Å; V175-R177 VanDerWaalsContact O-N 3.12Å |
| 178 | L | 71.6 | Confident | 64.9 | Low | 148 Ų | 148 | 130.3 Ų | 130.3 | 78% | 0.775 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -95.5 | -28.8 | 177 | -66.4 | 169 | 0 | 0 | 0 | 112.3 | A174 V175 T180 | A174-L178 PolarHBondContact O-N 2.95Å; V175-L178 PolarHBondContact O-N 2.97Å; L178-T180 VanDerWaalsContact C-N 3.32Å; L178-T180 PolarHBondContact O-N 3.12Å |
| 179 | S | 73 | Confident | 62.8 | Low | 88 Ų | 88 | 133.7 Ų | 133.7 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -76.3 | -6.6 | -177.7 | -52.6 | 0 | 0 | 0 | 0 | 115.8 | V175 P181 | V175-S179 PolarHBondContact O-N 3.17Å; V175-S179 PolarHBondContact O-OG 3.32Å; V175-S179 VanDerWaalsContact O-OG 3.11Å; S179-P181 WeakPolarHBondContact O-CD 3.37Å |
| 180 | T | 61.4 | Low | 61 | Low | 92 Ų | 92 | 137.1 Ų | 137.1 | 56% | 0.564 | 71% | 0.71 | S | S | * | * | trans | -102.8 | 106.5 | -179.4 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | L178 | L178-T180 VanDerWaalsContact C-N 3.32Å; L178-T180 PolarHBondContact O-N 3.12Å | ||
| 181 | P | 48.1 | Very low | 58.9 | Low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | trans | -69.5 | 148.7 | 171.1 | 29.5 | -33.8 | 0 | 0 | 0 | 111.3 | S179 | S179-P181 WeakPolarHBondContact O-CD 3.37Š| ||
| 182 | N | 45.9 | Very low | 57.2 | Low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 64.6 | 63.4 | 163.8 | -158.1 | 19.7 | 0 | 0 | 0 | 118.3 | ||
| 183 | A | 41.9 | Very low | 55.2 | Low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 73% | 0.734 | S | S | * | * | trans | -144.7 | 127.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 184 | F | 40.8 | Very low | 52.7 | Low | 191 Ų | 191 | 145.2 Ų | 145.2 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -71.5 | 161.5 | -169.1 | -105.5 | -106.7 | 0 | 0 | 0 | 116.2 | ||||
| 185 | K | 46.5 | Very low | 50.9 | Low | 185 Ų | 185 | 147.5 Ų | 147.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 77.4 | 91.5 | 163.1 | -63 | 161.3 | -174 | 174.9 | 0 | 118.3 | ||||
| 186 | P | 40.8 | Very low | 49.2 | Very low | 125 Ų | 125 | 151 Ų | 151 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -79.6 | 121.6 | 162.5 | 31.9 | -31.6 | 0 | 0 | 0 | 112.1 | ||||
| 187 | K | 37.4 | Very low | 47.3 | Very low | 205 Ų | 205 | 150.1 Ų | 150.1 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -109.3 | 108.9 | 155.4 | -97.7 | -173.6 | 176 | 178.8 | 0 | 107.6 | ||||
| 188 | L | 39.1 | Very low | 46.3 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | trans | -136 | 126.9 | 169 | -73.5 | 177.2 | 0 | 0 | 0 | 110.3 | ||||
| 189 | F | 38.2 | Very low | 45.6 | Very low | 206 Ų | 206 | 145.2 Ų | 145.2 | 90% | 0.904 | 75% | 0.745 | S | S | * | * | trans | -88.8 | 138.2 | 157.4 | -73.9 | -107.6 | 0 | 0 | 0 | 107.4 | ||||
| 190 | L | 42.9 | Very low | 45.2 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | 163.2 | 139.2 | 112.8 | -162.2 | 63.6 | 0 | 0 | 0 | 111.6 | |||||
| 191 | S | 37 | Very low | 45.4 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | trans | 29.6 | 116.7 | 160.9 | 61.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 192 | E | 47.5 | Very low | 46.3 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | -153.6 | -169.1 | 116.1 | -133.9 | 43.9 | -86.6 | 0 | 0 | 107.6 | |||||
| 193 | P | 41.4 | Very low | 47.3 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | trans | -91.2 | 161 | -136 | -4.6 | 27.8 | 0 | 0 | 0 | 115.6 | N195 | P193-N195 PolarHBondContact O-N 3.41Š| ||
| 194 | R | 31.7 | Very low | 48.3 | Very low | 234 Ų | 234 | 140.1 Ų | 140.1 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | trans | -72.8 | 106.8 | -172.7 | -59.4 | 170.4 | -177.2 | 147.9 | -0.3 | 112.9 | ||||
| 195 | N | 43.2 | Very low | 49.4 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 52% | 0.519 | 66% | 0.664 | S | S | . | * | trans | -153.6 | 14.5 | 159.7 | -133.4 | -17.5 | 0 | 0 | 0 | 117.6 | P193 | P193-N195 PolarHBondContact O-N 3.41Š| ||
| 196 | Q | 46.7 | Very low | 50.5 | Low | 158 Ų | 158 | 131.5 Ų | 131.5 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | trans | -124.8 | 17.9 | -176.6 | -70.7 | -167.3 | -3.6 | 0 | 0 | 116 | R198 N199 | Q196-R198 PolarHBondContact O-N 2.93Å; Q196-N199 PolarHBondContact O-N 3.28Å; Q196-N199 VanDerWaalsContact O-N 3.15Å | ||
| 197 | M | 43.6 | Very low | 51.7 | Low | 147 Ų | 147 | 130.6 Ų | 130.6 | 72% | 0.724 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.5 | -25.3 | -177.1 | -69.2 | -177.8 | 67.2 | 0 | 0 | 114.2 | N199 L200 | M197-N199 VanDerWaalsContact C-N 3.3Å; M197-N199 PolarHBondContact O-N 3.17Å; M197-L200 PolarHBondContact O-N 3.5Å |
| 198 | R | 53.3 | Low | 52.9 | Low | 157 Ų | 157 | 125.1 Ų | 125.1 | 59% | 0.592 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.2 | -15 | 178.4 | 58 | -179.3 | 165.4 | 110.1 | -4.2 | 115.9 | Q196 | Q196-R198 PolarHBondContact O-N 2.93Å |
| 199 | N | 57.3 | Low | 53.9 | Low | 96 Ų | 96 | 118.3 Ų | 118.3 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -89.8 | -33.1 | 176.4 | -175.7 | -99.9 | 0 | 0 | 0 | 112.8 | Q196 M197 D201 S202 L203 | Q196-N199 PolarHBondContact O-N 3.28Å; Q196-N199 VanDerWaalsContact O-N 3.15Å; M197-N199 VanDerWaalsContact C-N 3.3Å; M197-N199 PolarHBondContact O-N 3.17Å; N199-D201 PolarHBondContact O-N 3.43Å; N199-S202 PolarHBondContact O-N 3.37Å; N199-L203 PolarHBondContact O-N 3.14Å |
| 200 | L | 64.2 | Low | 54.3 | Low | 96 Ų | 96 | 113.2 Ų | 113.2 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.7 | -32.6 | 178.3 | -67.2 | 176.7 | 0 | 0 | 0 | 112.4 | M197 S202 L203 F204 | M197-L200 PolarHBondContact O-N 3.5Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-S202 PolarHBondContact O-N 3.26Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; L200-L203 PolarHBondContact O-N 3.16Å; L200-F204 HydrophobicContact CB-CD2 4.41Å; L200-F204 HydrophobicContact CB-CE2 4.34Å; L200-F204 WeakPolarHBondContact O-CD2 3.33Å; L200-F204 PolarHBondContact O-N 2.93Å |
| 201 | D | 65.4 | Low | 54.5 | Low | 62 Ų | 62 | 110.4 Ų | 110.4 | 33% | 0.332 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.8 | -36.6 | 177.4 | -103.5 | -45 | 0 | 0 | 0 | 113 | N199 F204 D205 R330 | N199-D201 PolarHBondContact O-N 3.43Å; D201-F204 PolarHBondContact O-N 3.11Å; D201-D205 PolarHBondContact O-N 3.15Å; D201-R330 IonicContact OD1-CZ 2.82Å; D201-R330 IonicContact OD1-NH1 3.41Å; D201-R330 PolarHBondContact OD1-NH1 3.05Å; D201-R330 IonicContact OD1-NH2 2.72Å; D201-R330 PolarHBondContact OD1-NH2 2.77Å; D201-R330 IonicContact OD2-CZ 2.7Å; D201-R330 IonicContact OD2-NH1 3.42Å; D201-R330 IonicContact OD2-NH2 3.31Å; D201-R330 PolarHBondContact OD2-NH2 2.93Å |
| 202 | S | 66.8 | Low | 54.4 | Low | 77 Ų | 77 | 113.2 Ų | 113.2 | 54% | 0.538 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.2 | -41 | 172.6 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | N199 L200 F204 D205 E206 | N199-S202 PolarHBondContact O-N 3.37Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-S202 PolarHBondContact O-N 3.26Å; S202-F204 VanDerWaalsContact C-N 3.31Å; S202-F204 PolarHBondContact O-N 3.37Å; S202-D205 PolarHBondContact O-N 3.47Å; S202-E206 WeakPolarHBondContact O-CB 3.28Å; S202-E206 PolarHBondContact O-N 3.21Å |
| 203 | L | 68.8 | Low | 53.9 | Low | 84 Ų | 84 | 110 Ų | 110 | 44% | 0.44 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -34.3 | 174.5 | -71.7 | 166 | 0 | 0 | 0 | 112 | N199 L200 V207 | N199-L203 PolarHBondContact O-N 3.14Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; L200-L203 PolarHBondContact O-N 3.16Å; L203-V207 WeakPolarHBondContact O-CB 2.92Å; L203-V207 VanDerWaalsContact O-CG2 3.3Å; L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 3.16Å |
| 204 | F | 61.9 | Low | 53.7 | Low | 127 Ų | 127 | 110 Ų | 110 | 56% | 0.557 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70 | -41.7 | 173.8 | -81.1 | -61.4 | 0 | 0 | 0 | 112.7 | L200 D201 S202 E206 V207 L208 | L200-F204 HydrophobicContact CB-CD2 4.41Å; L200-F204 HydrophobicContact CB-CE2 4.34Å; L200-F204 WeakPolarHBondContact O-CD2 3.33Å; L200-F204 PolarHBondContact O-N 2.93Å; D201-F204 PolarHBondContact O-N 3.11Å; S202-F204 VanDerWaalsContact C-N 3.31Å; S202-F204 PolarHBondContact O-N 3.37Å; F204-E206 VanDerWaalsContact C-N 3.3Å; F204-E206 PolarHBondContact O-N 2.93Å; F204-V207 PolarHBondContact O-N 2.88Å; F204-L208 VanDerWaalsContact O-CB 3.26Å; F204-L208 WeakPolarHBondContact O-CB 3.46Å; F204-L208 WeakPolarHBondContact O-CG 3.25Å; F204-L208 PolarHBondContact O-N 3.04Å |
| 205 | D | 64.3 | Low | 54 | Low | 69 Ų | 69 | 108.1 Ų | 108.1 | 37% | 0.369 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.1 | -29.7 | 174.5 | -83.9 | -17.5 | 0 | 0 | 0 | 112 | D201 S202 S209 | D201-D205 PolarHBondContact O-N 3.15Å; S202-D205 PolarHBondContact O-N 3.47Å; D205-S209 VanDerWaalsContact O-CB 3.27Å; D205-S209 WeakPolarHBondContact O-CB 3.4Å; D205-S209 PolarHBondContact O-N 3.25Å; D205-S209 VanDerWaalsContact O-N 3.09Å; D205-S209 PolarHBondContact O-OG 2.91Å |
| 206 | E | 69.3 | Low | 53.6 | Low | 127 Ų | 127 | 113.1 Ų | 113.1 | 59% | 0.593 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.8 | -45.7 | 173.2 | -170.5 | 163.2 | -159.6 | 0 | 0 | 112 | S202 F204 L208 S209 T210 | S202-E206 WeakPolarHBondContact O-CB 3.28Å; S202-E206 PolarHBondContact O-N 3.21Å; F204-E206 VanDerWaalsContact C-N 3.3Å; F204-E206 PolarHBondContact O-N 2.93Å; E206-L208 VanDerWaalsContact C-N 3.34Å; E206-L208 PolarHBondContact O-N 3.5Å; E206-S209 VanDerWaalsContact O-CB 3.31Å; E206-S209 WeakPolarHBondContact O-CB 3.21Å; E206-S209 PolarHBondContact O-N 3.21Å; E206-T210 PolarHBondContact O-N 3.37Å |
| 207 | V | 66.8 | Low | 52.9 | Low | 105 Ų | 105 | 109.4 Ų | 109.4 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.8 | -31.5 | 174.1 | 170.1 | 0 | 0 | 0 | 0 | 112.5 | L203 F204 S209 T210 | L203-V207 WeakPolarHBondContact O-CB 2.92Å; L203-V207 VanDerWaalsContact O-CG2 3.3Å; L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 3.16Å; F204-V207 PolarHBondContact O-N 2.88Å; V207-S209 PolarHBondContact O-N 3.27Å; V207-T210 PolarHBondContact O-OG1 3.39Å |
| 208 | L | 61.8 | Low | 52.7 | Low | 90 Ų | 90 | 108.5 Ų | 108.5 | 47% | 0.471 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -12.5 | 171.2 | -72.4 | 171.9 | 0 | 0 | 0 | 113 | F204 E206 | F204-L208 VanDerWaalsContact O-CB 3.26Å; F204-L208 WeakPolarHBondContact O-CB 3.46Å; F204-L208 WeakPolarHBondContact O-CG 3.25Å; F204-L208 PolarHBondContact O-N 3.04Å; E206-L208 VanDerWaalsContact C-N 3.34Å; E206-L208 PolarHBondContact O-N 3.5Å |
| 209 | S | 60.7 | Low | 51.7 | Low | 25 Ų | 25 | 109.2 Ų | 109.2 | 18% | 0.175 | 64% | 0.638 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -88.2 | -38.1 | -179.9 | -73.6 | 0 | 0 | 0 | 0 | 113.7 | D205 E206 V207 P211 R279 | D205-S209 VanDerWaalsContact O-CB 3.27Å; D205-S209 WeakPolarHBondContact O-CB 3.4Å; D205-S209 PolarHBondContact O-N 3.25Å; D205-S209 VanDerWaalsContact O-N 3.09Å; D205-S209 PolarHBondContact O-OG 2.91Å; E206-S209 VanDerWaalsContact O-CB 3.31Å; E206-S209 WeakPolarHBondContact O-CB 3.21Å; E206-S209 PolarHBondContact O-N 3.21Å; V207-S209 PolarHBondContact O-N 3.27Å; S209-P211 VanDerWaalsContact O-CD 3.3Å; S209-P211 WeakPolarHBondContact O-CD 3.19Å; S209-P211 VanDerWaalsContact O-N 3.08Å; S209-R279 PolarHBondContact O-NH1 2.7Å; S209-R279 PolarHBondContact O-NH2 3.31Å |
| 210 | T | 46.2 | Very low | 51 | Low | 99 Ų | 99 | 109.5 Ų | 109.5 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | trans | -54.3 | 114.2 | -171.5 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | E206 V207 | E206-T210 PolarHBondContact O-N 3.37Å; V207-T210 PolarHBondContact O-OG1 3.39Å | ||
| 211 | P | 46.3 | Very low | 49.8 | Very low | 101 Ų | 101 | 115.2 Ų | 115.2 | 66% | 0.656 | 68% | 0.675 | S | S | * | * | trans | -75.1 | 139 | 175.5 | 31.7 | -32 | 0 | 0 | 0 | 109.6 | S209 A213 | S209-P211 VanDerWaalsContact O-CD 3.3Å; S209-P211 WeakPolarHBondContact O-CD 3.19Å; S209-P211 VanDerWaalsContact O-N 3.08Å; P211-A213 PolarHBondContact O-N 3.44Å | ||
| 212 | T | 36 | Very low | 48.5 | Very low | 143 Ų | 143 | 115.6 Ų | 115.6 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | trans | -75.4 | 102.7 | 175.6 | 46 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 213 | A | 35.3 | Very low | 47.4 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | -79.9 | 121.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P211 | P211-A213 PolarHBondContact O-N 3.44Š| ||
| 214 | S | 37.7 | Very low | 46 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -105.7 | 125.2 | 168.2 | 53.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 215 | E | 37.9 | Very low | 44.8 | Very low | 194 Ų | 194 | 120.3 Ų | 120.3 | 91% | 0.907 | 72% | 0.724 | S | S | * | * | trans | -74.6 | 134 | -174.9 | -57.9 | 174.4 | 131.3 | 0 | 0 | 112.3 | ||||
| 216 | Q | 35 | Very low | 43.5 | Very low | 202 Ų | 202 | 125.5 Ų | 125.5 | 94% | 0.944 | 74% | 0.744 | S | S | * | * | trans | -149.6 | 139.1 | 155.1 | -75.2 | -163.5 | -18.1 | 0 | 0 | 109.6 | ||||
| 217 | G | 32.1 | Very low | 42.1 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | 129.3 | 78.4 | 161 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 218 | S | 39.9 | Very low | 41 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | trans | -157.9 | 148.9 | 141.2 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 219 | N | 33.2 | Very low | 40.1 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -98.6 | 141.1 | -171.7 | -92.5 | -53.8 | 0 | 0 | 0 | 112.7 | ||||
| 220 | A | 41.8 | Very low | 39.1 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -148.3 | 158.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 221 | K | 38 | Very low | 38.8 | Very low | 216 Ų | 216 | 133.8 Ų | 133.8 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -101.5 | 154 | -166.6 | -58.7 | 174.2 | -179.6 | 177 | 0 | 113.5 | ||||
| 222 | G | 39.5 | Very low | 38.7 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 149.8 | 93.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 223 | V | 43.9 | Very low | 38.9 | Very low | 122 Ų | 122 | 136 Ų | 136 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | 95.3 | 119.5 | 66.7 | 165.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 224 | E | 38.4 | Very low | 39.2 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 64 | 154.5 | 164.8 | -74.4 | 163.1 | -143 | 0 | 0 | 119.9 | ||||
| 225 | S | 36.7 | Very low | 39.4 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | cis | -171.8 | 173.1 | -31.9 | -103 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 226 | F | 37.5 | Very low | 39.5 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 73.7 | 122.3 | 175.9 | -54.6 | -77.4 | 0 | 0 | 0 | 115.5 | ||||
| 227 | E | 39.5 | Very low | 39.9 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | 77.3 | 139 | 56.1 | -70.2 | -159.4 | 133.2 | 0 | 0 | 113.9 | |||||
| 228 | N | 42.8 | Very low | 40.1 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | cis | -151.4 | 167.8 | -1.8 | -115 | -33.4 | 0 | 0 | 0 | 111 | ||||
| 229 | P | 44.6 | Very low | 39.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -105.8 | -177.4 | -171 | 41.4 | -37.1 | 0 | 0 | 0 | 115.3 | ||||
| 230 | N | 38 | Very low | 39.9 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | 147.8 | 154.4 | 131.2 | -161.7 | 4.8 | 0 | 0 | 0 | 114.5 | ||||
| 231 | G | 40.7 | Very low | 39.7 | Very low | 59 Ų | 59 | 134.7 Ų | 134.7 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | trans | 112.7 | 103.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 232 | K | 43.4 | Very low | 39.5 | Very low | 198 Ų | 198 | 129.8 Ų | 129.8 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | 60.8 | 129.2 | 74.7 | -65.5 | -176.7 | 178.2 | -179.7 | 0 | 114.4 | |||||
| 233 | S | 40.9 | Very low | 39.2 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | -164.1 | 175.7 | -14.6 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 234 | D | 41.2 | Very low | 38.6 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 73.4 | 109.7 | 156.8 | -50.2 | -51.1 | 0 | 0 | 0 | 121.7 | ||||
| 235 | S | 42.3 | Very low | 38.6 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | 44.4 | 123.8 | 115 | -158.5 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 236 | S | 39.1 | Very low | 38.9 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -173.4 | 172.3 | 14.6 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 237 | I | 43.2 | Very low | 39 | Very low | 162 Ų | 162 | 129 Ų | 129 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | 66.8 | 134.4 | 158.4 | -67.4 | 157.7 | 0 | 0 | 0 | 117.6 | ||||
| 238 | A | 36.5 | Very low | 39.4 | Very low | 77 Ų | 77 | 130 Ų | 130 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | cis | -163.8 | 153.4 | -24 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 239 | T | 33.2 | Very low | 39.8 | Very low | 134 Ų | 134 | 129 Ų | 129 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 62.8 | 80.4 | 150.9 | -46.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 240 | T | 37.2 | Very low | 40.3 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | -134.7 | 88.6 | 151.9 | 34.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 241 | K | 36.9 | Very low | 41.2 | Very low | 212 Ų | 212 | 127.1 Ų | 127.1 | 92% | 0.922 | 75% | 0.752 | S | S | * | * | trans | 31.2 | 96.2 | 152.1 | -61.2 | 174.8 | -177 | 172 | 0 | 118 | ||||
| 242 | S | 32.7 | Very low | 42.4 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -110.9 | 145.1 | 160.9 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 243 | P | 35.3 | Very low | 43.3 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | trans | -101.7 | 106.5 | -168.6 | 36.2 | -31.4 | 0 | 0 | 0 | 115.1 | ||||
| 244 | C | 31.2 | Very low | 44 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | trans | -144.2 | 126 | 168.7 | -79.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 245 | D | 37.4 | Very low | 45.1 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | -172.6 | 112.8 | 122 | -170.1 | -4.9 | 0 | 0 | 0 | 108.7 | G247 | D245-G247 PolarHBondContact OD1-N 3.24Š| |||
| 246 | I | 43 | Very low | 46.5 | Very low | 180 Ų | 180 | 119.1 Ų | 119.1 | 92% | 0.923 | 69% | 0.685 | S | S | * | * | trans | -127.7 | 96.7 | 169.5 | -58 | 175.7 | 0 | 0 | 0 | 105.6 | ||||
| 247 | G | 40.7 | Very low | 48.4 | Very low | 69 Ų | 69 | 116.7 Ų | 116.7 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | trans | -179.7 | -29.8 | 179 | 0 | 0 | 0 | 0 | 0 | 118.2 | D245 | D245-G247 PolarHBondContact OD1-N 3.24Š| ||
| 248 | K | 47.2 | Very low | 50.1 | Low | 175 Ų | 175 | 113.5 Ų | 113.5 | 76% | 0.761 | 66% | 0.656 | S | S | * | * | trans | -100.6 | 124.8 | -173.5 | -71.5 | 176.2 | -179.8 | 171.6 | 0 | 113.3 | ||||
| 249 | P | 50 | Low | 52.2 | Low | 106 Ų | 106 | 114.2 Ų | 114.2 | 69% | 0.688 | 65% | 0.649 | S | S | * | * | trans | -66.4 | 134.7 | 169.8 | 28.7 | -33.1 | 0 | 0 | 0 | 109.5 | V251 | P249-V251 PolarHBondContact O-N 3.39Å; P249-V251 VanDerWaalsContact O-N 3.16Å | ||
| 250 | K | 56.1 | Low | 54.6 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | trans | -67.7 | 113.8 | 174.8 | -69.8 | 179.5 | 178.8 | 175.1 | 0 | 108.6 | Y312 | K250-Y312 WeakPolarHBondContact O-CD2 3.41Š| ||
| 251 | V | 57.7 | Low | 56.8 | Low | 128 Ų | 128 | 104.1 Ų | 104.1 | 78% | 0.776 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 140.9 | 178.1 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | P249 | P249-V251 PolarHBondContact O-N 3.39Å; P249-V251 VanDerWaalsContact O-N 3.16Å |
| 252 | L | 65 | Low | 59.1 | Low | 36 Ų | 36 | 97.4 Ų | 97.4 | 19% | 0.188 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -70 | 136.3 | 177.8 | -165.2 | 76.1 | 0 | 0 | 0 | 109.6 | E254 L256 I261 L264 Y312 | L252-E254 PolarHBondContact O-N 3.39Å; L252-L256 HydrophobicContact CD1-CD1 3.88Å; L252-L256 HydrophobicContact CD2-CD1 4.1Å; L252-L256 HydrophobicContact CG-CD1 3.69Å; L252-I261 HydrophobicContact CD2-CD1 4.5Å; L252-I261 HydrophobicContact CD2-CG1 4.1Å; L252-L264 HydrophobicContact CD1-CD1 3.78Å; L252-L264 HydrophobicContact CD2-CD1 4.28Å; L252-Y312 HydrophobicContact CB-CD2 4.14Å; L252-Y312 HydrophobicContact CB-CE2 4.2Å; L252-Y312 HydrophobicContact CD1-CD1 3.81Å; L252-Y312 HydrophobicContact CD1-CD2 3.85Å; L252-Y312 HydrophobicContact CD1-CE1 4.3Å; L252-Y312 HydrophobicContact CD1-CE2 4.34Å; L252-Y312 HydrophobicContact CD1-CG 3.57Å |
| 253 | P | 62.1 | Low | 61.6 | Low | 44 Ų | 44 | 92 Ų | 92 | 29% | 0.286 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 123.8 | 174.8 | -27 | 34.4 | 0 | 0 | 0 | 111.9 | N255 L256 D308 | P253-N255 PolarHBondContact O-N 3.01Å; P253-L256 HydrophobicContact CB-CD1 4.07Å; P253-L256 HydrophobicContact CG-CD1 4.19Å; P253-L256 PolarHBondContact O-N 3.22Å; P253-D308 HydrophobicContact CG-CB 4.16Å |
| 254 | E | 56.8 | Low | 64 | Low | 187 Ų | 187 | 86.4 Ų | 86.4 | 87% | 0.874 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -18.8 | -165.8 | -64.4 | 177.1 | 123.9 | 0 | 0 | 114.7 | L252 | L252-E254 PolarHBondContact O-N 3.39Š|
| 255 | N | 63.9 | Low | 66.5 | Low | 153 Ų | 153 | 84.2 Ų | 84.2 | 82% | 0.818 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 46.2 | -176.7 | -67 | -75.2 | 0 | 0 | 0 | 112.8 | P253 | P253-N255 PolarHBondContact O-N 3.01Š|
| 256 | L | 72.1 | Confident | 68.7 | Low | 12 Ų | 12 | 80.7 Ų | 80.7 | 6% | 0.063 | 45% | 0.448 | C | S | . | . | trans | -99.7 | 127.9 | 177.6 | -89.9 | 161.8 | 0 | 0 | 0 | 112.1 | L252 P253 I260 I261 M301 V305 V309 | L252-L256 HydrophobicContact CD1-CD1 3.88Å; L252-L256 HydrophobicContact CD2-CD1 4.1Å; L252-L256 HydrophobicContact CG-CD1 3.69Å; P253-L256 HydrophobicContact CB-CD1 4.07Å; P253-L256 HydrophobicContact CG-CD1 4.19Å; P253-L256 PolarHBondContact O-N 3.22Å; L256-I260 HydrophobicContact CD2-CD1 3.91Å; L256-I260 HydrophobicContact CD2-CG2 4.16Å; L256-I261 HydrophobicContact CB-CG1 4.38Å; L256-I261 WeakPolarHBondContact O-CD1 3.36Å; L256-M301 HydrophobicContact CD2-CE 4.45Å; L256-V305 HydrophobicContact CD2-CG1 3.95Å; L256-V305 HydrophobicContact CG-CG1 4.46Å; L256-V309 HydrophobicContact CD1-CG2 3.65Å; L256-V309 HydrophobicContact CD2-CG2 3.89Å; L256-V309 HydrophobicContact CG-CG2 4.46Å | ||
| 257 | P | 78.4 | Confident | 70.7 | Confident | 39 Ų | 39 | 72.1 Ų | 72.1 | 25% | 0.253 | 40% | 0.404 | S | S | . | . | trans | -51.9 | 141 | 177.1 | -32.7 | 37.4 | 0 | 0 | 0 | 114.1 | D259 I260 I261 L299 | P257-D259 PolarHBondContact O-N 3.24Å; P257-D259 VanDerWaalsContact O-N 3.1Å; P257-I260 HydrophobicContact CG-CD1 4.5Å; P257-I260 WeakPolarHBondContact O-CB 3.45Å; P257-I260 PolarHBondContact O-N 3.25Å; P257-I261 PolarHBondContact O-N 3.44Å; P257-L299 HydrophobicContact CB-CD1 4.11Å; P257-L299 HydrophobicContact CG-CD1 4.12Å; P257-L299 HydrophobicContact CG-CD2 4.49Å | ||
| 258 | P | 78.7 | Confident | 72.7 | Confident | 96 Ų | 96 | 69.1 Ų | 69.1 | 62% | 0.623 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.4 | -29.7 | -176.4 | 24.7 | -34.7 | 0 | 0 | 0 | 112.2 | I260 I261 T262 | P258-I260 VanDerWaalsContact C-N 3.25Å; P258-I260 PolarHBondContact O-N 3.16Å; P258-I261 PolarHBondContact O-N 2.7Å; P258-T262 WeakPolarHBondContact O-CB 3.23Å; P258-T262 PolarHBondContact O-N 3.08Å; P258-T262 PolarHBondContact O-OG1 2.67Å; P258-T262 VanDerWaalsContact O-OG1 3.07Å |
| 259 | D | 81.1 | Confident | 74.4 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.5 | -32.8 | 173.2 | -100 | -57.5 | 0 | 0 | 0 | 115 | P257 C263 K295 | P257-D259 PolarHBondContact O-N 3.24Å; P257-D259 VanDerWaalsContact O-N 3.1Å; D259-C263 PolarHBondContact O-SG 2.82Å; D259-K295 HydrophobicContact CB-CD 4.16Å; D259-K295 WeakPolarHBondContact O-CD 3.32Å; D259-K295 PolarHBondContact O-NZ 2.86Å; D259-K295 IonicContact OD1-NZ 2.74Å; D259-K295 PolarHBondContact OD1-NZ 3.1Å |
| 260 | I | 84.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -80.5 | -47.2 | 174.3 | -72 | 160.3 | 0 | 0 | 0 | 109.5 | L256 P257 P258 T262 C263 L264 L292 L296 L299 V309 | L256-I260 HydrophobicContact CD2-CD1 3.91Å; L256-I260 HydrophobicContact CD2-CG2 4.16Å; P257-I260 HydrophobicContact CG-CD1 4.5Å; P257-I260 WeakPolarHBondContact O-CB 3.45Å; P257-I260 PolarHBondContact O-N 3.25Å; P258-I260 VanDerWaalsContact C-N 3.25Å; P258-I260 PolarHBondContact O-N 3.16Å; I260-T262 VanDerWaalsContact C-N 3.3Å; I260-T262 PolarHBondContact O-N 3.15Å; I260-C263 PolarHBondContact O-N 3.12Å; I260-L264 HydrophobicContact CG2-CD1 3.91Å; I260-L264 HydrophobicContact CG2-CG 4.18Å; I260-L264 WeakPolarHBondContact O-CG 3.42Å; I260-L264 PolarHBondContact O-N 3.41Å; I260-L292 HydrophobicContact CG2-CD1 3.89Å; I260-L296 HydrophobicContact CD1-CD2 3.62Å; I260-L296 HydrophobicContact CD1-CG 4.49Å; I260-L296 HydrophobicContact CG1-CD2 4.11Å; I260-L296 HydrophobicContact CG2-CD2 4.4Å; I260-L299 HydrophobicContact CD1-CD1 3.56Å; I260-L299 HydrophobicContact CG1-CD1 3.97Å; I260-V309 HydrophobicContact CG2-CG1 4.44Å |
| 261 | I | 82.5 | Confident | 76.7 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.3 | -44.3 | 179.8 | -60.1 | 176.2 | 0 | 0 | 0 | 110.8 | L252 L256 P257 P258 C263 L264 N265 | L252-I261 HydrophobicContact CD2-CD1 4.5Å; L252-I261 HydrophobicContact CD2-CG1 4.1Å; L256-I261 HydrophobicContact CB-CG1 4.38Å; L256-I261 WeakPolarHBondContact O-CD1 3.36Å; P257-I261 PolarHBondContact O-N 3.44Å; P258-I261 PolarHBondContact O-N 2.7Å; I261-C263 PolarHBondContact O-N 2.89Å; I261-L264 WeakPolarHBondContact O-CB 3.19Å; I261-L264 PolarHBondContact O-N 3.19Å; I261-L264 VanDerWaalsContact O-N 3.17Å; I261-N265 PolarHBondContact O-N 3.46Å |
| 262 | T | 85.5 | Confident | 77.2 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 174.2 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | P258 I260 N265 N266 | P258-T262 WeakPolarHBondContact O-CB 3.23Å; P258-T262 PolarHBondContact O-N 3.08Å; P258-T262 PolarHBondContact O-OG1 2.67Å; P258-T262 VanDerWaalsContact O-OG1 3.07Å; I260-T262 VanDerWaalsContact C-N 3.3Å; I260-T262 PolarHBondContact O-N 3.15Å; T262-N265 PolarHBondContact O-N 2.86Å; T262-N266 WeakPolarHBondContact O-CB 3.49Å; T262-N266 PolarHBondContact O-N 3.47Å; T262-N266 PolarHBondContact O-ND2 3.34Å; T262-N266 PolarHBondContact O-OD1 3.37Å |
| 263 | C | 84.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.1 | -32.2 | 177.2 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | D259 I260 I261 L267 L292 K295 | D259-C263 PolarHBondContact O-SG 2.82Å; I260-C263 PolarHBondContact O-N 3.12Å; I261-C263 PolarHBondContact O-N 2.89Å; C263-L267 WeakPolarHBondContact O-CB 2.99Å; C263-L267 WeakPolarHBondContact O-CD1 3.48Å; C263-L267 VanDerWaalsContact O-CG 3.25Å; C263-L267 WeakPolarHBondContact O-CG 3.29Å; C263-L267 PolarHBondContact O-N 2.92Å; C263-L292 HydrophobicContact CB-CB 4.32Å; C263-L292 HydrophobicContact CB-CD1 4.24Å; C263-K295 PolarHBondContact SG-NZ 2.72Å |
| 264 | L | 84.7 | Confident | 76.3 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 173.2 | -65.4 | 175.2 | 0 | 0 | 0 | 112 | L252 I260 I261 T268 L292 V309 Y312 L313 | L252-L264 HydrophobicContact CD1-CD1 3.78Å; L252-L264 HydrophobicContact CD2-CD1 4.28Å; I260-L264 HydrophobicContact CG2-CD1 3.91Å; I260-L264 HydrophobicContact CG2-CG 4.18Å; I260-L264 WeakPolarHBondContact O-CG 3.42Å; I260-L264 PolarHBondContact O-N 3.41Å; I261-L264 WeakPolarHBondContact O-CB 3.19Å; I261-L264 PolarHBondContact O-N 3.19Å; I261-L264 VanDerWaalsContact O-N 3.17Å; L264-T268 VanDerWaalsContact O-CB 3.26Å; L264-T268 WeakPolarHBondContact O-CB 3.36Å; L264-T268 PolarHBondContact O-N 3.43Å; L264-T268 PolarHBondContact O-OG1 3.22Å; L264-L292 HydrophobicContact CD2-CD1 4.35Å; L264-L292 HydrophobicContact CD2-CD2 3.77Å; L264-V309 HydrophobicContact CD1-CG1 4.22Å; L264-V309 HydrophobicContact CD2-CG1 3.87Å; L264-Y312 HydrophobicContact CD1-CD1 4.29Å; L264-L313 HydrophobicContact CD2-CD1 3.82Å; L264-L313 HydrophobicContact CD2-CD2 3.54Å; L264-L313 HydrophobicContact CD2-CG 3.56Å |
| 265 | N | 83.7 | Confident | 75.7 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.7 | -46.7 | 174.3 | -70.7 | -15.5 | 0 | 0 | 0 | 110.9 | I261 T262 L267 T268 E269 | I261-N265 PolarHBondContact O-N 3.46Å; T262-N265 PolarHBondContact O-N 2.86Å; N265-L267 PolarHBondContact O-N 3.22Å; N265-T268 WeakPolarHBondContact O-CB 3.44Å; N265-T268 PolarHBondContact O-N 3.07Å; N265-T268 VanDerWaalsContact O-N 3.12Å; N265-E269 WeakPolarHBondContact O-CB 3.33Å; N265-E269 PolarHBondContact O-N 3.32Å |
| 266 | N | 85.3 | Confident | 74.8 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.9 | -46.4 | 174.6 | -65.2 | -7.6 | 0 | 0 | 0 | 111.8 | T262 T268 E269 L270 E288 | T262-N266 WeakPolarHBondContact O-CB 3.49Å; T262-N266 PolarHBondContact O-N 3.47Å; T262-N266 PolarHBondContact O-ND2 3.34Å; T262-N266 PolarHBondContact O-OD1 3.37Å; N266-T268 VanDerWaalsContact C-N 3.3Å; N266-T268 PolarHBondContact O-N 3.15Å; N266-E269 PolarHBondContact O-N 3.43Å; N266-L270 VanDerWaalsContact O-CB 3.29Å; N266-L270 WeakPolarHBondContact O-CB 3.36Å; N266-L270 WeakPolarHBondContact O-CD1 3.24Å; N266-L270 WeakPolarHBondContact O-CG 3.29Å; N266-L270 PolarHBondContact O-N 3.33Å; N266-E288 HydrophobicContact CB-CG 4.09Å; N266-E288 PolarHBondContact ND2-OE2 3.37Å |
| 267 | L | 84.5 | Confident | 73.6 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 176.9 | -76.8 | 166.3 | 0 | 0 | 0 | 112.6 | C263 N265 N271 F285 E288 L289 L292 L313 L317 | C263-L267 WeakPolarHBondContact O-CB 2.99Å; C263-L267 WeakPolarHBondContact O-CD1 3.48Å; C263-L267 VanDerWaalsContact O-CG 3.25Å; C263-L267 WeakPolarHBondContact O-CG 3.29Å; C263-L267 PolarHBondContact O-N 2.92Å; N265-L267 PolarHBondContact O-N 3.22Å; L267-N271 WeakPolarHBondContact O-CB 3.4Å; L267-N271 PolarHBondContact O-N 3.37Å; L267-F285 HydrophobicContact CB-CE2 4.43Å; L267-F285 HydrophobicContact CD2-CD2 3.56Å; L267-F285 HydrophobicContact CD2-CE2 3.54Å; L267-F285 HydrophobicContact CD2-CG 4.13Å; L267-F285 HydrophobicContact CD2-CZ 4.1Å; L267-F285 WeakPolarHBondContact CD2-O 3.46Å; L267-E288 HydrophobicContact CD2-CB 3.97Å; L267-E288 HydrophobicContact CG-CB 4.07Å; L267-L289 HydrophobicContact CD1-CD1 4.47Å; L267-L289 HydrophobicContact CD2-CB 3.92Å; L267-L292 HydrophobicContact CD1-CB 4.35Å; L267-L292 HydrophobicContact CD1-CD2 3.69Å; L267-L313 HydrophobicContact CB-CD2 4.31Å; L267-L313 HydrophobicContact CD1-CD1 4.07Å; L267-L313 HydrophobicContact CD1-CD2 4.33Å; L267-L317 WeakPolarHBondContact O-CD2 3.31Å |
| 268 | T | 83.4 | Confident | 72 | Confident | 7 Ų | 7 | 79.2 Ų | 79.2 | 4% | 0.043 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 176.2 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | L264 N265 N266 N271 K272 H316 | L264-T268 VanDerWaalsContact O-CB 3.26Å; L264-T268 WeakPolarHBondContact O-CB 3.36Å; L264-T268 PolarHBondContact O-N 3.43Å; L264-T268 PolarHBondContact O-OG1 3.22Å; N265-T268 WeakPolarHBondContact O-CB 3.44Å; N265-T268 PolarHBondContact O-N 3.07Å; N265-T268 VanDerWaalsContact O-N 3.12Å; N266-T268 VanDerWaalsContact C-N 3.3Å; N266-T268 PolarHBondContact O-N 3.15Å; T268-N271 PolarHBondContact O-N 3.46Å; T268-K272 HydrophobicContact CG2-CD 4.07Å; T268-K272 VanDerWaalsContact CG2-CE 3.47Å; T268-K272 WeakPolarHBondContact O-CG 3.17Å; T268-K272 PolarHBondContact O-N 3.1Å; T268-H316 WeakPolarHBondContact CG2-CD2 3.37Å; T268-H316 WeakPolarHBondContact CG2-NE2 3.37Å |
| 269 | E | 81.8 | Confident | 70.8 | Confident | 105 Ų | 105 | 79.2 Ų | 79.2 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 178.9 | -175.3 | 171.1 | -163.3 | 0 | 0 | 111.6 | N265 N266 N271 K272 H273 | N265-E269 WeakPolarHBondContact O-CB 3.33Å; N265-E269 PolarHBondContact O-N 3.32Å; N266-E269 PolarHBondContact O-N 3.43Å; E269-N271 PolarHBondContact O-N 2.85Å; E269-N271 VanDerWaalsContact O-N 3.16Å; E269-K272 PolarHBondContact O-N 3.36Å; E269-H273 PolarHBondContact O-CD2 3.37Å; E269-H273 VanDerWaalsContact O-CD2 3.25Å; E269-H273 PolarHBondContact O-N 2.91Å |
| 270 | L | 78.8 | Confident | 69.6 | Low | 65 Ų | 65 | 80.7 Ų | 80.7 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.5 | -23.9 | 173.9 | -70.9 | 168.8 | 0 | 0 | 0 | 113.2 | N266 P284 F285 E288 | N266-L270 VanDerWaalsContact O-CB 3.29Å; N266-L270 WeakPolarHBondContact O-CB 3.36Å; N266-L270 WeakPolarHBondContact O-CD1 3.24Å; N266-L270 WeakPolarHBondContact O-CG 3.29Å; N266-L270 PolarHBondContact O-N 3.33Å; L270-P284 HydrophobicContact CD1-CB 4.23Å; L270-P284 HydrophobicContact CD2-CB 4.01Å; L270-P284 HydrophobicContact CD2-CG 4.21Å; L270-F285 HydrophobicContact CB-CB 4.47Å; L270-E288 HydrophobicContact CD1-CB 4.45Å; L270-E288 HydrophobicContact CD1-CG 4.04Å |
| 271 | N | 75.2 | Confident | 68.8 | Low | 36 Ų | 36 | 81.9 Ų | 81.9 | 19% | 0.193 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -82 | -38.5 | 171.2 | -164 | 57.3 | 0 | 0 | 0 | 112.3 | L267 T268 E269 H273 G274 L317 | L267-N271 WeakPolarHBondContact O-CB 3.4Å; L267-N271 PolarHBondContact O-N 3.37Å; T268-N271 PolarHBondContact O-N 3.46Å; E269-N271 PolarHBondContact O-N 2.85Å; E269-N271 VanDerWaalsContact O-N 3.16Å; N271-H273 VanDerWaalsContact C-N 3.34Å; N271-H273 PolarHBondContact O-N 3.05Å; N271-G274 PolarHBondContact O-N 3.36Å; N271-L317 HydrophobicContact CB-CD2 3.65Å; N271-L317 WeakPolarHBondContact ND2-CA 3.42Å; N271-L317 PolarHBondContact ND2-O 3.33Å |
| 272 | K | 69.4 | Low | 68.4 | Low | 140 Ų | 140 | 80.5 Ų | 80.5 | 61% | 0.609 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.8 | -34.7 | 177.3 | -75.2 | 168 | -179.3 | 173.6 | 0 | 113 | T268 E269 G274 | T268-K272 HydrophobicContact CG2-CD 4.07Å; T268-K272 VanDerWaalsContact CG2-CE 3.47Å; T268-K272 WeakPolarHBondContact O-CG 3.17Å; T268-K272 PolarHBondContact O-N 3.1Å; E269-K272 PolarHBondContact O-N 3.36Å; K272-G274 PolarHBondContact O-N 3.38Å |
| 273 | H | 54.4 | Low | 68.2 | Low | 136 Ų | 136 | 85.4 Ų | 85.4 | 63% | 0.63 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 3.9 | 177.1 | -70.8 | -70.5 | 0 | 0 | 0 | 114.7 | E269 N271 T275 | E269-H273 PolarHBondContact O-CD2 3.37Å; E269-H273 VanDerWaalsContact O-CD2 3.25Å; E269-H273 PolarHBondContact O-N 2.91Å; N271-H273 VanDerWaalsContact C-N 3.34Å; N271-H273 PolarHBondContact O-N 3.05Å; H273-T275 PolarHBondContact O-N 3Å |
| 274 | G | 52.6 | Low | 68.2 | Low | 57 Ų | 57 | 89 Ų | 89 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | trans | -74.1 | 55.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N271 K272 | N271-G274 PolarHBondContact O-N 3.36Å; K272-G274 PolarHBondContact O-N 3.38Å | ||
| 275 | T | 44 | Very low | 68.3 | Low | 106 Ų | 106 | 89 Ų | 89 | 65% | 0.65 | 46% | 0.457 | S | S | * | . | trans | -66.4 | 147.1 | -179 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | H273 | H273-T275 PolarHBondContact O-N 3Š| ||
| 276 | N | 44.7 | Very low | 68.4 | Low | 142 Ų | 142 | 86.2 Ų | 86.2 | 76% | 0.759 | 44% | 0.442 | S | S | * | . | S | Bend | trans | 66 | 73.8 | 172.5 | -53.4 | -39.6 | 0 | 0 | 0 | 116.9 | R278 | N276-R278 PolarHBondContact O-N 3.1Š|
| 277 | Q | 47.8 | Very low | 68.5 | Low | 202 Ų | 202 | 88.3 Ų | 88.3 | 94% | 0.944 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 60.3 | -12.4 | 149.6 | -61.4 | -172.2 | -5.2 | 0 | 0 | 120 | ||
| 278 | R | 43.8 | Very low | 68.7 | Low | 216 Ų | 216 | 89.7 Ų | 89.7 | 82% | 0.815 | 46% | 0.462 | S | S | * | . | trans | -105.2 | 101.4 | 175.5 | -78.8 | -175.6 | 162 | -167.3 | -5.9 | 111.3 | N276 T280 | N276-R278 PolarHBondContact O-N 3.1Å; R278-T280 PolarHBondContact O-N 2.99Å | ||
| 279 | R | 54.7 | Low | 68.9 | Low | 95 Ų | 95 | 89.3 Ų | 89.3 | 36% | 0.358 | 46% | 0.46 | S | S | . | . | trans | -78.9 | 41 | -175.9 | -130 | 173.7 | -61.4 | 160.8 | 10.7 | 114.2 | S209 L281 | S209-R279 PolarHBondContact O-NH1 2.7Å; S209-R279 PolarHBondContact O-NH2 3.31Å; R279-L281 PolarHBondContact O-N 2.7Å | ||
| 280 | T | 55.8 | Low | 69.2 | Low | 122 Ų | 122 | 85.6 Ų | 85.6 | 75% | 0.748 | 44% | 0.443 | S | S | * | . | trans | -73.8 | 73.1 | 167.6 | 52.7 | 0 | 0 | 0 | 0 | 109.7 | R278 G282 | R278-T280 PolarHBondContact O-N 2.99Å; T280-G282 PolarHBondContact O-N 3.42Å; T280-G282 VanDerWaalsContact O-N 3.08Å | ||
| 281 | L | 67.2 | Low | 69.7 | Low | 26 Ų | 26 | 86 Ų | 86 | 14% | 0.136 | 44% | 0.442 | C | S | . | . | trans | -46.7 | 116.5 | 165.5 | -72.8 | 154.7 | 0 | 0 | 0 | 108 | R279 F285 L319 R327 | R279-L281 PolarHBondContact O-N 2.7Å; L281-F285 HydrophobicContact CB-CD1 4.09Å; L281-F285 HydrophobicContact CB-CG 4.42Å; L281-F285 HydrophobicContact CD1-CE1 4.4Å; L281-F285 HydrophobicContact CD2-CD1 4.06Å; L281-F285 HydrophobicContact CD2-CD2 3.86Å; L281-F285 HydrophobicContact CD2-CE1 4.22Å; L281-F285 HydrophobicContact CD2-CE2 4.02Å; L281-F285 HydrophobicContact CD2-CG 3.88Å; L281-F285 HydrophobicContact CD2-CZ 4.21Å; L281-L319 HydrophobicContact CD1-CD1 3.67Å; L281-L319 HydrophobicContact CD1-CD2 4.1Å; L281-L319 HydrophobicContact CD1-CG 4.44Å; L281-R327 PolarHBondContact O-NH2 3.44Å | ||
| 282 | G | 74.7 | Confident | 70.3 | Confident | 32 Ų | 32 | 84.2 Ų | 84.2 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | trans | -88.9 | 172.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T280 P284 F285 D286 | T280-G282 PolarHBondContact O-N 3.42Å; T280-G282 VanDerWaalsContact O-N 3.08Å; G282-P284 VanDerWaalsContact C-N 3.28Å; G282-P284 VanDerWaalsContact O-N 3.09Å; G282-F285 WeakPolarHBondContact O-CB 3.42Å; G282-F285 PolarHBondContact O-N 2.87Å; G282-D286 PolarHBondContact O-N 2.93Å | ||
| 283 | K | 81.9 | Confident | 71.2 | Confident | 176 Ų | 176 | 78.1 Ų | 78.1 | 77% | 0.765 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -42.6 | -39.2 | 171.9 | -62.1 | -177 | 179.4 | -178.3 | 0 | 115.7 | D286 T287 | K283-D286 PolarHBondContact O-N 2.93Å; K283-T287 WeakPolarHBondContact O-CB 3.46Å; K283-T287 PolarHBondContact O-N 3.39Å; K283-T287 PolarHBondContact O-OG1 2.87Å |
| 284 | P | 83.2 | Confident | 72.7 | Confident | 75 Ų | 75 | 74 Ų | 74 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 175.2 | 23.4 | -34.7 | 0 | 0 | 0 | 113.4 | L270 G282 D286 T287 E288 | L270-P284 HydrophobicContact CD1-CB 4.23Å; L270-P284 HydrophobicContact CD2-CB 4.01Å; L270-P284 HydrophobicContact CD2-CG 4.21Å; G282-P284 VanDerWaalsContact C-N 3.28Å; G282-P284 VanDerWaalsContact O-N 3.09Å; P284-D286 VanDerWaalsContact C-N 3.34Å; P284-D286 PolarHBondContact O-N 3.26Å; P284-T287 WeakPolarHBondContact O-CB 3.22Å; P284-T287 PolarHBondContact O-N 2.97Å; P284-E288 PolarHBondContact O-N 3.15Å |
| 285 | F | 87 | Confident | 74.3 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 1% | 0.013 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.6 | 173.4 | -87.5 | 0 | 0 | 0 | 110.9 | L267 L270 L281 G282 T287 E288 L289 L317 L319 | L267-F285 HydrophobicContact CB-CE2 4.43Å; L267-F285 HydrophobicContact CD2-CD2 3.56Å; L267-F285 HydrophobicContact CD2-CE2 3.54Å; L267-F285 HydrophobicContact CD2-CG 4.13Å; L267-F285 HydrophobicContact CD2-CZ 4.1Å; L267-F285 WeakPolarHBondContact CD2-O 3.46Å; L270-F285 HydrophobicContact CB-CB 4.47Å; L281-F285 HydrophobicContact CB-CD1 4.09Å; L281-F285 HydrophobicContact CB-CG 4.42Å; L281-F285 HydrophobicContact CD1-CE1 4.4Å; L281-F285 HydrophobicContact CD2-CD1 4.06Å; L281-F285 HydrophobicContact CD2-CD2 3.86Å; L281-F285 HydrophobicContact CD2-CE1 4.22Å; L281-F285 HydrophobicContact CD2-CE2 4.02Å; L281-F285 HydrophobicContact CD2-CG 3.88Å; L281-F285 HydrophobicContact CD2-CZ 4.21Å; G282-F285 WeakPolarHBondContact O-CB 3.42Å; G282-F285 PolarHBondContact O-N 2.87Å; F285-T287 VanDerWaalsContact C-N 3.3Å; F285-T287 PolarHBondContact O-N 3.07Å; F285-E288 PolarHBondContact O-N 3.42Å; F285-L289 HydrophobicContact CE1-CD2 3.89Å; F285-L289 HydrophobicContact CZ-CD2 4.42Å; F285-L289 VanDerWaalsContact O-CB 3.23Å; F285-L289 WeakPolarHBondContact O-CB 3.49Å; F285-L289 PolarHBondContact O-N 3.33Å; F285-L317 HydrophobicContact CE2-CD1 3.85Å; F285-L317 HydrophobicContact CE2-CD2 4.03Å; F285-L317 HydrophobicContact CZ-CD1 3.8Å; F285-L319 HydrophobicContact CZ-CD1 4.05Å |
| 286 | D | 87.1 | Confident | 76.3 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 13% | 0.134 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62 | -38 | 175.6 | -66.7 | -43.1 | 0 | 0 | 0 | 112.7 | G282 K283 P284 L289 L290 R327 L331 | G282-D286 PolarHBondContact O-N 2.93Å; K283-D286 PolarHBondContact O-N 2.93Å; P284-D286 VanDerWaalsContact C-N 3.34Å; P284-D286 PolarHBondContact O-N 3.26Å; D286-L289 PolarHBondContact O-N 2.85Å; D286-L290 WeakPolarHBondContact O-CB 2.96Å; D286-L290 PolarHBondContact O-N 3.28Å; D286-R327 IonicContact OD1-CZ 3.19Å; D286-R327 IonicContact OD1-NE 2.7Å; D286-R327 PolarHBondContact OD1-NE 2.85Å; D286-R327 IonicContact OD1-NH2 2.82Å; D286-R327 PolarHBondContact OD1-NH2 3.4Å; D286-R327 IonicContact OD2-CZ 3.91Å; D286-R327 IonicContact OD2-NH2 2.86Å; D286-R327 PolarHBondContact OD2-NH2 3Å; D286-L331 HydrophobicContact CB-CD1 3.69Å; D286-L331 HydrophobicContact CB-CD2 3.67Å; D286-L331 HydrophobicContact CB-CG 4.33Å |
| 287 | T | 87.5 | Confident | 78.1 | Confident | 88 Ų | 88 | 65.6 Ų | 65.6 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66 | -49 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 111 | K283 P284 F285 L289 L290 K291 | K283-T287 WeakPolarHBondContact O-CB 3.46Å; K283-T287 PolarHBondContact O-N 3.39Å; K283-T287 PolarHBondContact O-OG1 2.87Å; P284-T287 WeakPolarHBondContact O-CB 3.22Å; P284-T287 PolarHBondContact O-N 2.97Å; F285-T287 VanDerWaalsContact C-N 3.3Å; F285-T287 PolarHBondContact O-N 3.07Å; T287-L289 PolarHBondContact O-N 3.47Å; T287-L290 PolarHBondContact O-N 3.14Å; T287-K291 VanDerWaalsContact O-CB 3.26Å; T287-K291 WeakPolarHBondContact O-CB 3.28Å; T287-K291 PolarHBondContact O-N 3.4Å |
| 288 | E | 87.1 | Confident | 79.9 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.3 | -32.2 | 176.8 | -68.6 | -63.3 | 112 | 0 | 0 | 112.6 | N266 L267 L270 P284 F285 K291 L292 | N266-E288 HydrophobicContact CB-CG 4.09Å; N266-E288 PolarHBondContact ND2-OE2 3.37Å; L267-E288 HydrophobicContact CD2-CB 3.97Å; L267-E288 HydrophobicContact CG-CB 4.07Å; L270-E288 HydrophobicContact CD1-CB 4.45Å; L270-E288 HydrophobicContact CD1-CG 4.04Å; P284-E288 PolarHBondContact O-N 3.15Å; F285-E288 PolarHBondContact O-N 3.42Å; E288-K291 PolarHBondContact O-N 2.88Å; E288-K291 WeakPolarHBondContact OE1-CD 3.5Å; E288-K291 WeakPolarHBondContact OE1-CE 3.44Å; E288-K291 IonicContact OE1-NZ 2.67Å; E288-K291 PolarHBondContact OE1-NZ 3.21Å; E288-K291 WeakPolarHBondContact OE2-CD 3.34Å; E288-K291 IonicContact OE2-NZ 2.77Å; E288-K291 PolarHBondContact OE2-NZ 2.83Å; E288-L292 WeakPolarHBondContact O-CB 3.27Å; E288-L292 PolarHBondContact O-N 2.95Å |
| 289 | L | 89.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.6 | -40 | 177.2 | 178.8 | 59.1 | 0 | 0 | 0 | 111.5 | L267 F285 D286 T287 D293 F310 V324 R327 L328 L331 | L267-L289 HydrophobicContact CD1-CD1 4.47Å; L267-L289 HydrophobicContact CD2-CB 3.92Å; F285-L289 HydrophobicContact CE1-CD2 3.89Å; F285-L289 HydrophobicContact CZ-CD2 4.42Å; F285-L289 VanDerWaalsContact O-CB 3.23Å; F285-L289 WeakPolarHBondContact O-CB 3.49Å; F285-L289 PolarHBondContact O-N 3.33Å; D286-L289 PolarHBondContact O-N 2.85Å; T287-L289 PolarHBondContact O-N 3.47Å; L289-D293 PolarHBondContact O-N 3.15Å; L289-F310 HydrophobicContact CD1-CE1 4.21Å; L289-V324 HydrophobicContact CD1-CG1 3.81Å; L289-V324 HydrophobicContact CD2-CG1 4.22Å; L289-R327 HydrophobicContact CD2-CG 4.5Å; L289-L328 HydrophobicContact CD2-CB 4.33Å; L289-L328 HydrophobicContact CG-CB 4.41Å; L289-L328 HydrophobicContact CG-CD1 4.31Å; L289-L331 HydrophobicContact CD2-CD1 4.22Å |
| 290 | L | 87.4 | Confident | 82.8 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.4 | -37.9 | 176.3 | -171.8 | 56.7 | 0 | 0 | 0 | 111.8 | D286 T287 D293 I294 L328 L331 K332 K335 | D286-L290 WeakPolarHBondContact O-CB 2.96Å; D286-L290 PolarHBondContact O-N 3.28Å; T287-L290 PolarHBondContact O-N 3.14Å; L290-D293 PolarHBondContact O-N 3.43Å; L290-I294 HydrophobicContact CG-CD1 4.35Å; L290-I294 WeakPolarHBondContact O-CD1 3.2Å; L290-I294 VanDerWaalsContact O-CG1 3.29Å; L290-I294 WeakPolarHBondContact O-CG1 3.4Å; L290-I294 PolarHBondContact O-N 3.36Å; L290-I294 VanDerWaalsContact O-N 3.1Å; L290-L328 HydrophobicContact CD1-CD1 4.09Å; L290-L331 HydrophobicContact CD1-CB 4.49Å; L290-L331 HydrophobicContact CD2-CB 4.39Å; L290-K332 HydrophobicContact CD1-CG 3.72Å; L290-K335 HydrophobicContact CD2-CB 4.08Å; L290-K335 HydrophobicContact CD2-CD 3.63Å; L290-K335 HydrophobicContact CD2-CG 4.44Å; L290-K335 HydrophobicContact CG-CD 4.48Å |
| 291 | K | 89 | Confident | 83.8 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 32% | 0.317 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 172 | 179.1 | -169 | -179.2 | -169.5 | 0 | 112.2 | T287 E288 I294 K295 | T287-K291 VanDerWaalsContact O-CB 3.26Å; T287-K291 WeakPolarHBondContact O-CB 3.28Å; T287-K291 PolarHBondContact O-N 3.4Å; E288-K291 PolarHBondContact O-N 2.88Å; E288-K291 WeakPolarHBondContact OE1-CD 3.5Å; E288-K291 WeakPolarHBondContact OE1-CE 3.44Å; E288-K291 IonicContact OE1-NZ 2.67Å; E288-K291 PolarHBondContact OE1-NZ 3.21Å; E288-K291 WeakPolarHBondContact OE2-CD 3.34Å; E288-K291 IonicContact OE2-NZ 2.77Å; E288-K291 PolarHBondContact OE2-NZ 2.83Å; K291-I294 PolarHBondContact O-N 3.42Å; K291-K295 WeakPolarHBondContact O-CG 3.25Å; K291-K295 PolarHBondContact O-N 3.48Å |
| 292 | L | 88.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 174.2 | 175.3 | 65 | 0 | 0 | 0 | 111.8 | I260 C263 L264 L267 E288 I294 K295 L296 V309 F310 L313 | I260-L292 HydrophobicContact CG2-CD1 3.89Å; C263-L292 HydrophobicContact CB-CB 4.32Å; C263-L292 HydrophobicContact CB-CD1 4.24Å; L264-L292 HydrophobicContact CD2-CD1 4.35Å; L264-L292 HydrophobicContact CD2-CD2 3.77Å; L267-L292 HydrophobicContact CD1-CB 4.35Å; L267-L292 HydrophobicContact CD1-CD2 3.69Å; E288-L292 WeakPolarHBondContact O-CB 3.27Å; E288-L292 PolarHBondContact O-N 2.95Å; L292-I294 VanDerWaalsContact C-N 3.29Å; L292-I294 PolarHBondContact O-N 2.89Å; L292-K295 PolarHBondContact O-N 2.83Å; L292-L296 HydrophobicContact CD1-CD1 3.93Å; L292-L296 HydrophobicContact CD1-CG 4.02Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.82Å; L292-L296 HydrophobicContact CG-CG 4.34Å; L292-L296 WeakPolarHBondContact O-CB 3.48Å; L292-L296 VanDerWaalsContact O-CG 3.23Å; L292-L296 WeakPolarHBondContact O-CG 3.23Å; L292-L296 PolarHBondContact O-N 3.09Å; L292-V309 HydrophobicContact CD1-CG1 4.48Å; L292-V309 HydrophobicContact CD2-CG1 4.44Å; L292-F310 HydrophobicContact CD2-CE1 4.28Å; L292-L313 HydrophobicContact CD2-CD1 3.56Å |
| 293 | D | 87.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 176.8 | 176.9 | 92.8 | 0 | 0 | 0 | 113.1 | L289 L290 K297 L328 K332 | L289-D293 PolarHBondContact O-N 3.15Å; L290-D293 PolarHBondContact O-N 3.43Å; D293-K297 WeakPolarHBondContact O-CD 3.17Å; D293-K297 WeakPolarHBondContact O-CG 3.46Å; D293-K297 PolarHBondContact O-N 3.47Å; D293-K297 IonicContact OD1-NZ 3.21Å; D293-K297 WeakPolarHBondContact OD2-CE 3.38Å; D293-K297 IonicContact OD2-NZ 3.22Å; D293-K297 PolarHBondContact OD2-NZ 3.18Å; D293-L328 HydrophobicContact CB-CD1 3.67Å; D293-L328 HydrophobicContact CB-CD2 3.9Å; D293-L328 HydrophobicContact CB-CG 4.32Å; D293-K332 WeakPolarHBondContact OD1-CE 3.29Å; D293-K332 IonicContact OD1-NZ 3.49Å; D293-K332 PolarHBondContact OD1-NZ 2.95Å; D293-K332 WeakPolarHBondContact OD2-CE 3.37Å; D293-K332 IonicContact OD2-NZ 2.63Å; D293-K332 PolarHBondContact OD2-NZ 3.27Å; D293-K332 VanDerWaalsContact OD2-NZ 3.12Å |
| 294 | I | 85.9 | Confident | 84.7 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64 | -55.5 | 174 | -70.8 | 164.1 | 0 | 0 | 0 | 109.6 | L290 K291 L292 L296 K297 E298 | L290-I294 HydrophobicContact CG-CD1 4.35Å; L290-I294 WeakPolarHBondContact O-CD1 3.2Å; L290-I294 VanDerWaalsContact O-CG1 3.29Å; L290-I294 WeakPolarHBondContact O-CG1 3.4Å; L290-I294 PolarHBondContact O-N 3.36Å; L290-I294 VanDerWaalsContact O-N 3.1Å; K291-I294 PolarHBondContact O-N 3.42Å; L292-I294 VanDerWaalsContact C-N 3.29Å; L292-I294 PolarHBondContact O-N 2.89Å; I294-L296 VanDerWaalsContact C-N 3.33Å; I294-L296 PolarHBondContact O-N 3.21Å; I294-K297 WeakPolarHBondContact O-CB 3.45Å; I294-K297 PolarHBondContact O-N 3.12Å; I294-E298 HydrophobicContact CG2-CG 4.25Å; I294-E298 WeakPolarHBondContact CG2-OE1 3.4Å; I294-E298 WeakPolarHBondContact CG2-OE2 3.37Å; I294-E298 WeakPolarHBondContact O-CG 3.17Å; I294-E298 PolarHBondContact O-N 3.11Å |
| 295 | K | 86.7 | Confident | 84.7 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 13% | 0.13 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.4 | -43.1 | 177.2 | -71.5 | -173.3 | 178.2 | -164.5 | 0 | 113 | D259 C263 K291 L292 K297 E298 L299 | D259-K295 HydrophobicContact CB-CD 4.16Å; D259-K295 WeakPolarHBondContact O-CD 3.32Å; D259-K295 PolarHBondContact O-NZ 2.86Å; D259-K295 IonicContact OD1-NZ 2.74Å; D259-K295 PolarHBondContact OD1-NZ 3.1Å; C263-K295 PolarHBondContact SG-NZ 2.72Å; K291-K295 WeakPolarHBondContact O-CG 3.25Å; K291-K295 PolarHBondContact O-N 3.48Å; L292-K295 PolarHBondContact O-N 2.83Å; K295-K297 PolarHBondContact O-N 2.94Å; K295-E298 PolarHBondContact O-N 2.97Å; K295-L299 WeakPolarHBondContact O-CB 3.34Å; K295-L299 WeakPolarHBondContact O-CG 3.31Å; K295-L299 PolarHBondContact O-N 3.15Å |
| 296 | L | 86.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -22.4 | 177.8 | -75 | 171.6 | 0 | 0 | 0 | 113.3 | I260 L292 I294 M301 R306 V309 F310 | I260-L296 HydrophobicContact CD1-CD2 3.62Å; I260-L296 HydrophobicContact CD1-CG 4.49Å; I260-L296 HydrophobicContact CG1-CD2 4.11Å; I260-L296 HydrophobicContact CG2-CD2 4.4Å; L292-L296 HydrophobicContact CD1-CD1 3.93Å; L292-L296 HydrophobicContact CD1-CG 4.02Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.82Å; L292-L296 HydrophobicContact CG-CG 4.34Å; L292-L296 WeakPolarHBondContact O-CB 3.48Å; L292-L296 VanDerWaalsContact O-CG 3.23Å; L292-L296 WeakPolarHBondContact O-CG 3.23Å; L292-L296 PolarHBondContact O-N 3.09Å; I294-L296 VanDerWaalsContact C-N 3.33Å; I294-L296 PolarHBondContact O-N 3.21Å; L296-M301 HydrophobicContact CD2-CB 4.47Å; L296-M301 HydrophobicContact CD2-CG 4.4Å; L296-M301 VanDerWaalsContact O-CB 3.23Å; L296-M301 WeakPolarHBondContact O-CB 3.38Å; L296-M301 PolarHBondContact O-N 3.26Å; L296-R306 HydrophobicContact CB-CG 4.05Å; L296-R306 HydrophobicContact CD1-CG 4.42Å; L296-R306 HydrophobicContact CD2-CG 4.19Å; L296-R306 HydrophobicContact CG-CG 4.46Å; L296-V309 HydrophobicContact CD1-CG1 4.07Å; L296-V309 HydrophobicContact CD2-CG1 4.35Å; L296-V309 HydrophobicContact CD2-CG2 4.37Å; L296-F310 HydrophobicContact CD1-CE2 4.08Å; L296-F310 HydrophobicContact CD1-CZ 4.04Å |
| 297 | K | 82.8 | Confident | 84.4 | Confident | 99 Ų | 99 | 58.3 Ų | 58.3 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -90 | -41.5 | 173.1 | -71.5 | 164.1 | 173.7 | 168.2 | 0 | 112.7 | D293 I294 K295 L299 M300 | D293-K297 WeakPolarHBondContact O-CD 3.17Å; D293-K297 WeakPolarHBondContact O-CG 3.46Å; D293-K297 PolarHBondContact O-N 3.47Å; D293-K297 IonicContact OD1-NZ 3.21Å; D293-K297 WeakPolarHBondContact OD2-CE 3.38Å; D293-K297 IonicContact OD2-NZ 3.22Å; D293-K297 PolarHBondContact OD2-NZ 3.18Å; I294-K297 WeakPolarHBondContact O-CB 3.45Å; I294-K297 PolarHBondContact O-N 3.12Å; K295-K297 PolarHBondContact O-N 2.94Å; K297-L299 VanDerWaalsContact C-N 3.3Å; K297-L299 PolarHBondContact O-N 3.07Å; K297-M300 WeakPolarHBondContact O-CA 3.47Å; K297-M300 PolarHBondContact O-N 3.16Å |
| 298 | E | 84.8 | Confident | 84.3 | Confident | 135 Ų | 135 | 57 Ų | 57 | 63% | 0.631 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.3 | -40.5 | 178.4 | -71.3 | 168.2 | 161.3 | 0 | 0 | 111.1 | I294 K295 M300 | I294-E298 HydrophobicContact CG2-CG 4.25Å; I294-E298 WeakPolarHBondContact CG2-OE1 3.4Å; I294-E298 WeakPolarHBondContact CG2-OE2 3.37Å; I294-E298 WeakPolarHBondContact O-CG 3.17Å; I294-E298 PolarHBondContact O-N 3.11Å; K295-E298 PolarHBondContact O-N 2.97Å; E298-M300 PolarHBondContact O-N 2.91Å; E298-M300 VanDerWaalsContact O-N 3.13Å |
| 299 | L | 82.6 | Confident | 84.2 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 41% | 0.414 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 12.8 | 172.7 | -64.6 | 163.7 | 0 | 0 | 0 | 113.4 | P257 I260 K295 K297 M301 | P257-L299 HydrophobicContact CB-CD1 4.11Å; P257-L299 HydrophobicContact CG-CD1 4.12Å; P257-L299 HydrophobicContact CG-CD2 4.49Å; I260-L299 HydrophobicContact CD1-CD1 3.56Å; I260-L299 HydrophobicContact CG1-CD1 3.97Å; K295-L299 WeakPolarHBondContact O-CB 3.34Å; K295-L299 WeakPolarHBondContact O-CG 3.31Å; K295-L299 PolarHBondContact O-N 3.15Å; K297-L299 VanDerWaalsContact C-N 3.3Å; K297-L299 PolarHBondContact O-N 3.07Å; L299-M301 PolarHBondContact O-N 3.16Å |
| 300 | M | 77.3 | Confident | 84 | Confident | 174 Ų | 174 | 56.1 Ų | 56.1 | 86% | 0.857 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 31.3 | 178.7 | -56.8 | -168.2 | 75.2 | 0 | 0 | 114.7 | K297 E298 | K297-M300 WeakPolarHBondContact O-CA 3.47Å; K297-M300 PolarHBondContact O-N 3.16Å; E298-M300 PolarHBondContact O-N 2.91Å; E298-M300 VanDerWaalsContact O-N 3.13Å |
| 301 | M | 76.5 | Confident | 83.8 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 18% | 0.177 | 29% | 0.286 | C | S | . | . | trans | -68.2 | 140.8 | -163.7 | -167.4 | 54.7 | 69.4 | 0 | 0 | 112.4 | L256 L296 L299 V305 R306 | L256-M301 HydrophobicContact CD2-CE 4.45Å; L296-M301 HydrophobicContact CD2-CB 4.47Å; L296-M301 HydrophobicContact CD2-CG 4.4Å; L296-M301 VanDerWaalsContact O-CB 3.23Å; L296-M301 WeakPolarHBondContact O-CB 3.38Å; L296-M301 PolarHBondContact O-N 3.26Å; L299-M301 PolarHBondContact O-N 3.16Å; M301-V305 HydrophobicContact CG-CB 3.8Å; M301-V305 HydrophobicContact CG-CG1 3.65Å; M301-V305 HydrophobicContact SD-CB 3.79Å; M301-V305 HydrophobicContact SD-CG1 3.57Å; M301-V305 VanDerWaalsContact SD-CG1 3.57Å; M301-V305 HydrophobicContact SD-CG2 4.29Å; M301-R306 HydrophobicContact CB-CG 4Å; M301-R306 HydrophobicContact CG-CG 4.15Å; M301-R306 PolarHBondContact O-NE 3.29Å | ||
| 302 | S | 79.8 | Confident | 83.5 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | trans | -61.4 | 153.7 | -173.8 | 86.2 | 0 | 0 | 0 | 0 | 112.4 | S304 V305 R306 | S302-S304 PolarHBondContact O-N 3Å; S302-V305 PolarHBondContact O-N 3.07Å; S302-V305 WeakPolarHBondContact OG-CG2 3.18Å; S302-V305 PolarHBondContact OG-N 3.34Å; S302-R306 WeakPolarHBondContact O-CB 3.41Å; S302-R306 WeakPolarHBondContact O-CG 3.28Å; S302-R306 PolarHBondContact O-N 2.88Å | ||
| 303 | Q | 81.4 | Confident | 83.3 | Confident | 125 Ų | 125 | 54.4 Ų | 54.4 | 58% | 0.584 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.1 | -24.2 | -179 | -175.3 | 54.6 | 72.6 | 0 | 0 | 112.7 | R306 S307 | Q303-R306 VanDerWaalsContact OE1-CZ 3.32Å; Q303-R306 VanDerWaalsContact OE1-NH2 3.08Å; Q303-S307 WeakPolarHBondContact O-CB 3.41Å; Q303-S307 PolarHBondContact O-N 3.02Å |
| 304 | S | 82.1 | Confident | 83 | Confident | 74 Ų | 74 | 57 Ų | 57 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.6 | -61.6 | 168.1 | -166.4 | 0 | 0 | 0 | 0 | 109.9 | S302 R306 S307 D308 | S302-S304 PolarHBondContact O-N 3Å; S304-R306 CarbonylContact O-C 3.58Å; S304-R306 PolarHBondContact O-N 3.12Å; S304-R306 VanDerWaalsContact O-N 3.08Å; S304-S307 CarbonylContact O-C 3.58Å; S304-S307 VanDerWaalsContact O-CA 3.25Å; S304-S307 WeakPolarHBondContact O-CA 3.39Å; S304-S307 WeakPolarHBondContact O-CB 3.35Å; S304-S307 PolarHBondContact O-N 2.85Å; S304-D308 VanDerWaalsContact O-CG 3.25Å; S304-D308 PolarHBondContact O-N 3.05Å; S304-D308 PolarHBondContact OG-OD2 2.88Å |
| 305 | V | 82.4 | Confident | 82.5 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.3 | -33.2 | -173.8 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | L256 M301 S302 D308 V309 | L256-V305 HydrophobicContact CD2-CG1 3.95Å; L256-V305 HydrophobicContact CG-CG1 4.46Å; M301-V305 HydrophobicContact CG-CB 3.8Å; M301-V305 HydrophobicContact CG-CG1 3.65Å; M301-V305 HydrophobicContact SD-CB 3.79Å; M301-V305 HydrophobicContact SD-CG1 3.57Å; M301-V305 VanDerWaalsContact SD-CG1 3.57Å; M301-V305 HydrophobicContact SD-CG2 4.29Å; S302-V305 PolarHBondContact O-N 3.07Å; S302-V305 WeakPolarHBondContact OG-CG2 3.18Å; S302-V305 PolarHBondContact OG-N 3.34Å; V305-D308 WeakPolarHBondContact CA-OD2 3.43Å; V305-D308 PolarHBondContact N-OD2 3.03Å; V305-D308 PolarHBondContact O-N 2.69Å; V305-V309 HydrophobicContact CG1-CG2 4.37Å; V305-V309 WeakPolarHBondContact O-CB 3.23Å; V305-V309 VanDerWaalsContact O-CG2 3.25Å; V305-V309 WeakPolarHBondContact O-CG2 3.41Å; V305-V309 PolarHBondContact O-N 3.47Å |
| 306 | R | 84.8 | Confident | 81.9 | Confident | 61 Ų | 61 | 59.5 Ų | 59.5 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 169.7 | -71.9 | -170.4 | -77.1 | 104.7 | 1.9 | 113 | L296 M301 S302 Q303 S304 D308 F310 | L296-R306 HydrophobicContact CB-CG 4.05Å; L296-R306 HydrophobicContact CD1-CG 4.42Å; L296-R306 HydrophobicContact CD2-CG 4.19Å; L296-R306 HydrophobicContact CG-CG 4.46Å; M301-R306 HydrophobicContact CB-CG 4Å; M301-R306 HydrophobicContact CG-CG 4.15Å; M301-R306 PolarHBondContact O-NE 3.29Å; S302-R306 WeakPolarHBondContact O-CB 3.41Å; S302-R306 WeakPolarHBondContact O-CG 3.28Å; S302-R306 PolarHBondContact O-N 2.88Å; Q303-R306 VanDerWaalsContact OE1-CZ 3.32Å; Q303-R306 VanDerWaalsContact OE1-NH2 3.08Å; S304-R306 CarbonylContact O-C 3.58Å; S304-R306 PolarHBondContact O-N 3.12Å; S304-R306 VanDerWaalsContact O-N 3.08Å; R306-D308 VanDerWaalsContact C-N 3.33Å; R306-F310 WeakPolarHBondContact O-CD2 3.33Å; R306-F310 PolarHBondContact O-N 2.89Å; R306-F310 VanDerWaalsContact O-N 3.08Å |
| 307 | S | 83.4 | Confident | 81.3 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 29% | 0.287 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 172.8 | -169 | 0 | 0 | 0 | 0 | 112.5 | Q303 S304 S311 | Q303-S307 WeakPolarHBondContact O-CB 3.41Å; Q303-S307 PolarHBondContact O-N 3.02Å; S304-S307 CarbonylContact O-C 3.58Å; S304-S307 VanDerWaalsContact O-CA 3.25Å; S304-S307 WeakPolarHBondContact O-CA 3.39Å; S304-S307 WeakPolarHBondContact O-CB 3.35Å; S304-S307 PolarHBondContact O-N 2.85Å; S307-S311 VanDerWaalsContact O-CB 3.3Å; S307-S311 WeakPolarHBondContact O-CB 3.11Å; S307-S311 PolarHBondContact O-N 3.04Å; S307-S311 PolarHBondContact O-OG 2.89Å |
| 308 | D | 84.6 | Confident | 80.8 | Confident | 62 Ų | 62 | 62.3 Ų | 62.3 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.8 | -42.8 | 179.4 | -57.5 | -43.8 | 0 | 0 | 0 | 110.7 | P253 S304 V305 R306 F310 S311 Y312 | P253-D308 HydrophobicContact CG-CB 4.16Å; S304-D308 VanDerWaalsContact O-CG 3.25Å; S304-D308 PolarHBondContact O-N 3.05Å; S304-D308 PolarHBondContact OG-OD2 2.88Å; V305-D308 WeakPolarHBondContact CA-OD2 3.43Å; V305-D308 PolarHBondContact N-OD2 3.03Å; V305-D308 PolarHBondContact O-N 2.69Å; R306-D308 VanDerWaalsContact C-N 3.33Å; D308-F310 PolarHBondContact O-N 3.34Å; D308-S311 CarbonylContact O-C 3.57Å; D308-S311 WeakPolarHBondContact O-CB 3.26Å; D308-S311 PolarHBondContact O-N 2.95Å; D308-S311 VanDerWaalsContact O-N 3.11Å; D308-Y312 PolarHBondContact O-N 3.14Å |
| 309 | V | 85.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 171.4 | 169.2 | 0 | 0 | 0 | 0 | 112 | L256 I260 L264 L292 L296 V305 S311 Y312 L313 | L256-V309 HydrophobicContact CD1-CG2 3.65Å; L256-V309 HydrophobicContact CD2-CG2 3.89Å; L256-V309 HydrophobicContact CG-CG2 4.46Å; I260-V309 HydrophobicContact CG2-CG1 4.44Å; L264-V309 HydrophobicContact CD1-CG1 4.22Å; L264-V309 HydrophobicContact CD2-CG1 3.87Å; L292-V309 HydrophobicContact CD1-CG1 4.48Å; L292-V309 HydrophobicContact CD2-CG1 4.44Å; L296-V309 HydrophobicContact CD1-CG1 4.07Å; L296-V309 HydrophobicContact CD2-CG1 4.35Å; L296-V309 HydrophobicContact CD2-CG2 4.37Å; V305-V309 HydrophobicContact CG1-CG2 4.37Å; V305-V309 WeakPolarHBondContact O-CB 3.23Å; V305-V309 VanDerWaalsContact O-CG2 3.25Å; V305-V309 WeakPolarHBondContact O-CG2 3.41Å; V305-V309 PolarHBondContact O-N 3.47Å; V309-S311 VanDerWaalsContact C-N 3.32Å; V309-Y312 PolarHBondContact O-N 3.21Å; V309-L313 PolarHBondContact O-N 3.15Å; V309-L313 VanDerWaalsContact O-N 3.11Å |
| 310 | F | 85.8 | Confident | 80.2 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 4% | 0.044 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.3 | -23.4 | 174.3 | -71.9 | -60.4 | 0 | 0 | 0 | 113.5 | L289 L292 L296 R306 D308 L313 E314 V324 L325 L328 | L289-F310 HydrophobicContact CD1-CE1 4.21Å; L292-F310 HydrophobicContact CD2-CE1 4.28Å; L296-F310 HydrophobicContact CD1-CE2 4.08Å; L296-F310 HydrophobicContact CD1-CZ 4.04Å; R306-F310 WeakPolarHBondContact O-CD2 3.33Å; R306-F310 PolarHBondContact O-N 2.89Å; R306-F310 VanDerWaalsContact O-N 3.08Å; D308-F310 PolarHBondContact O-N 3.34Å; F310-L313 HydrophobicContact CD1-CD1 4Å; F310-L313 HydrophobicContact CE1-CD1 4.35Å; F310-E314 PolarHBondContact O-N 3.3Å; F310-V324 HydrophobicContact CD1-CG1 4.15Å; F310-V324 HydrophobicContact CE1-CG1 4.44Å; F310-L325 HydrophobicContact CD2-CD2 4.02Å; F310-L325 HydrophobicContact CE2-CD2 4.18Å; F310-L325 HydrophobicContact CG-CD2 4.31Å; F310-L328 HydrophobicContact CE1-CD2 3.92Å; F310-L328 HydrophobicContact CE2-CD2 4.31Å; F310-L328 HydrophobicContact CZ-CD2 3.5Å |
| 311 | S | 83.3 | Confident | 80.3 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.2 | -33.4 | 171.8 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | S307 D308 V309 E314 S315 | S307-S311 VanDerWaalsContact O-CB 3.3Å; S307-S311 WeakPolarHBondContact O-CB 3.11Å; S307-S311 PolarHBondContact O-N 3.04Å; S307-S311 PolarHBondContact O-OG 2.89Å; D308-S311 CarbonylContact O-C 3.57Å; D308-S311 WeakPolarHBondContact O-CB 3.26Å; D308-S311 PolarHBondContact O-N 2.95Å; D308-S311 VanDerWaalsContact O-N 3.11Å; V309-S311 VanDerWaalsContact C-N 3.32Å; S311-E314 PolarHBondContact O-N 2.84Å; S311-S315 PolarHBondContact O-N 2.88Å |
| 312 | Y | 82.6 | Confident | 80.6 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 18% | 0.18 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 168.7 | 177.7 | -94.1 | 0 | 0 | 0 | 110.2 | K250 L252 L264 D308 V309 E314 S315 H316 | K250-Y312 WeakPolarHBondContact O-CD2 3.41Å; L252-Y312 HydrophobicContact CB-CD2 4.14Å; L252-Y312 HydrophobicContact CB-CE2 4.2Å; L252-Y312 HydrophobicContact CD1-CD1 3.81Å; L252-Y312 HydrophobicContact CD1-CD2 3.85Å; L252-Y312 HydrophobicContact CD1-CE1 4.3Å; L252-Y312 HydrophobicContact CD1-CE2 4.34Å; L252-Y312 HydrophobicContact CD1-CG 3.57Å; L264-Y312 HydrophobicContact CD1-CD1 4.29Å; D308-Y312 PolarHBondContact O-N 3.14Å; V309-Y312 PolarHBondContact O-N 3.21Å; Y312-E314 VanDerWaalsContact C-N 3.32Å; Y312-E314 PolarHBondContact O-N 3.43Å; Y312-S315 PolarHBondContact O-N 3.44Å; Y312-S315 VanDerWaalsContact O-N 3.08Å; Y312-S315 PolarHBondContact O-OG 3.31Å; Y312-H316 AromaticContact CZ-ND1 3.96Å; Y312-H316 PolarHBondContact O-N 2.89Å; Y312-H316 VanDerWaalsContact O-N 3.08Å |
| 313 | L | 83 | Confident | 80.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.1 | -37.7 | 173.8 | -75.6 | -179.8 | 0 | 0 | 0 | 113.5 | L264 L267 L292 V309 F310 S315 H316 L317 | L264-L313 HydrophobicContact CD2-CD1 3.82Å; L264-L313 HydrophobicContact CD2-CD2 3.54Å; L264-L313 HydrophobicContact CD2-CG 3.56Å; L267-L313 HydrophobicContact CB-CD2 4.31Å; L267-L313 HydrophobicContact CD1-CD1 4.07Å; L267-L313 HydrophobicContact CD1-CD2 4.33Å; L292-L313 HydrophobicContact CD2-CD1 3.56Å; V309-L313 PolarHBondContact O-N 3.15Å; V309-L313 VanDerWaalsContact O-N 3.11Å; F310-L313 HydrophobicContact CD1-CD1 4Å; F310-L313 HydrophobicContact CE1-CD1 4.35Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 2.95Å; L313-H316 PolarHBondContact O-N 3.31Å; L313-L317 HydrophobicContact CB-CD1 4.06Å; L313-L317 HydrophobicContact CB-CG 4.44Å; L313-L317 HydrophobicContact CD2-CD1 3.99Å; L313-L317 HydrophobicContact CD2-CG 4.16Å; L313-L317 HydrophobicContact CG-CD1 4.45Å; L313-L317 WeakPolarHBondContact O-CB 3.37Å; L313-L317 VanDerWaalsContact O-CG 3.28Å; L313-L317 WeakPolarHBondContact O-CG 3.46Å; L313-L317 PolarHBondContact O-N 3.05Å |
| 314 | E | 81.3 | Confident | 81.1 | Confident | 67 Ų | 67 | 52.2 Ų | 52.2 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57 | -43.1 | 173.4 | 172.3 | 170.3 | -121.9 | 0 | 0 | 111.8 | F310 S311 Y312 L319 K320 H321 | F310-E314 PolarHBondContact O-N 3.3Å; S311-E314 PolarHBondContact O-N 2.84Å; Y312-E314 VanDerWaalsContact C-N 3.32Å; Y312-E314 PolarHBondContact O-N 3.43Å; E314-L319 WeakPolarHBondContact CA-O 3.43Å; E314-K320 WeakPolarHBondContact OE1-CA 3.42Å; E314-H321 HydrophobicContact CB-CB 4.16Å; E314-H321 VanDerWaalsContact CD-N 3.32Å; E314-H321 HydrophobicContact CG-CB 4.36Å; E314-H321 WeakPolarHBondContact OE1-CB 3.3Å; E314-H321 PolarHBondContact OE1-N 3.05Å |
| 315 | S | 76.9 | Confident | 81.2 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 42% | 0.42 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.8 | -34 | 178.6 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | S311 Y312 L313 | S311-S315 PolarHBondContact O-N 2.88Å; Y312-S315 PolarHBondContact O-N 3.44Å; Y312-S315 VanDerWaalsContact O-N 3.08Å; Y312-S315 PolarHBondContact O-OG 3.31Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 2.95Å |
| 316 | H | 72.7 | Confident | 81.4 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -94.2 | -23.3 | -174.2 | -137.4 | 113.8 | 0 | 0 | 0 | 114 | T268 Y312 L313 | T268-H316 WeakPolarHBondContact CG2-CD2 3.37Å; T268-H316 WeakPolarHBondContact CG2-NE2 3.37Å; Y312-H316 AromaticContact CZ-ND1 3.96Å; Y312-H316 PolarHBondContact O-N 2.89Å; Y312-H316 VanDerWaalsContact O-N 3.08Å; L313-H316 PolarHBondContact O-N 3.31Å |
| 317 | L | 74.4 | Confident | 81.5 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -95.7 | -11.8 | -178.3 | -61.7 | -179.3 | 0 | 0 | 0 | 114.4 | L267 N271 F285 L313 L319 | L267-L317 WeakPolarHBondContact O-CD2 3.31Å; N271-L317 HydrophobicContact CB-CD2 3.65Å; N271-L317 WeakPolarHBondContact ND2-CA 3.42Å; N271-L317 PolarHBondContact ND2-O 3.33Å; F285-L317 HydrophobicContact CE2-CD1 3.85Å; F285-L317 HydrophobicContact CE2-CD2 4.03Å; F285-L317 HydrophobicContact CZ-CD1 3.8Å; L313-L317 HydrophobicContact CB-CD1 4.06Å; L313-L317 HydrophobicContact CB-CG 4.44Å; L313-L317 HydrophobicContact CD2-CD1 3.99Å; L313-L317 HydrophobicContact CD2-CG 4.16Å; L313-L317 HydrophobicContact CG-CD1 4.45Å; L313-L317 WeakPolarHBondContact O-CB 3.37Å; L313-L317 VanDerWaalsContact O-CG 3.28Å; L313-L317 WeakPolarHBondContact O-CG 3.46Å; L313-L317 PolarHBondContact O-N 3.05Å; L317-L319 HydrophobicContact CB-CB 4.13Å; L317-L319 HydrophobicContact CB-CD1 4.13Å; L317-L319 HydrophobicContact CB-CG 4.03Å; L317-L319 HydrophobicContact CD1-CD1 4.19Å; L317-L319 PolarHBondContact O-N 3.39Å; L317-L319 VanDerWaalsContact O-N 3.17Å |
| 318 | Q | 72.7 | Confident | 81.7 | Confident | 156 Ų | 156 | 56.2 Ų | 56.2 | 73% | 0.729 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 59.4 | 13.4 | -166.1 | -50.8 | -180 | 0.6 | 0 | 0 | 113.9 | ||
| 319 | L | 72.5 | Confident | 81.9 | Confident | 28 Ų | 28 | 58 Ų | 58 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | trans | -100 | 120.8 | 177.8 | -64 | 176.5 | 0 | 0 | 0 | 109.7 | L281 F285 E314 L317 H321 V324 | L281-L319 HydrophobicContact CD1-CD1 3.67Å; L281-L319 HydrophobicContact CD1-CD2 4.1Å; L281-L319 HydrophobicContact CD1-CG 4.44Å; F285-L319 HydrophobicContact CZ-CD1 4.05Å; E314-L319 WeakPolarHBondContact CA-O 3.43Å; L317-L319 HydrophobicContact CB-CB 4.13Å; L317-L319 HydrophobicContact CB-CD1 4.13Å; L317-L319 HydrophobicContact CB-CG 4.03Å; L317-L319 HydrophobicContact CD1-CD1 4.19Å; L317-L319 PolarHBondContact O-N 3.39Å; L317-L319 VanDerWaalsContact O-N 3.17Å; L319-H321 PolarHBondContact O-N 2.96Å; L319-V324 HydrophobicContact CB-CG2 3.64Å; L319-V324 HydrophobicContact CD1-CG2 4.17Å | ||
| 320 | K | 82.4 | Confident | 82 | Confident | 141 Ų | 141 | 63.1 Ų | 63.1 | 61% | 0.613 | 29% | 0.289 | S | S | * | . | trans | -50.8 | 136.8 | 174.5 | -67.8 | 172.3 | -178.9 | 167.9 | 0 | 110.3 | E314 K322 A323 V324 | E314-K320 WeakPolarHBondContact OE1-CA 3.42Å; K320-K322 PolarHBondContact O-N 3.45Å; K320-K322 VanDerWaalsContact O-N 3.1Å; K320-A323 HydrophobicContact CB-CB 4.48Å; K320-A323 WeakPolarHBondContact O-CA 3.49Å; K320-A323 VanDerWaalsContact O-CB 3.27Å; K320-A323 WeakPolarHBondContact O-CB 3.43Å; K320-A323 PolarHBondContact O-N 3.21Å; K320-V324 PolarHBondContact O-N 2.86Å; K320-V324 VanDerWaalsContact O-N 3.17Å | ||
| 321 | H | 78.5 | Confident | 82.2 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 18% | 0.181 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -50.4 | -41.9 | -177.6 | 172.3 | -150.4 | 0 | 0 | 0 | 111.9 | E314 L319 A323 V324 L325 | E314-H321 HydrophobicContact CB-CB 4.16Å; E314-H321 VanDerWaalsContact CD-N 3.32Å; E314-H321 HydrophobicContact CG-CB 4.36Å; E314-H321 WeakPolarHBondContact OE1-CB 3.3Å; E314-H321 PolarHBondContact OE1-N 3.05Å; L319-H321 PolarHBondContact O-N 2.96Å; H321-A323 VanDerWaalsContact C-N 3.31Å; H321-A323 PolarHBondContact O-N 3.28Å; H321-V324 PolarHBondContact O-N 3.13Å; H321-L325 WeakPolarHBondContact NE2-CD1 3.38Å; H321-L325 WeakPolarHBondContact O-CG 3.18Å; H321-L325 PolarHBondContact O-N 3.47Å |
| 322 | K | 83.9 | Confident | 82.5 | Confident | 160 Ų | 160 | 65.5 Ų | 65.5 | 70% | 0.696 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.8 | -28 | 175.6 | -67.2 | 179.8 | -180 | 174.3 | 0 | 113.8 | K320 R326 | K320-K322 PolarHBondContact O-N 3.45Å; K320-K322 VanDerWaalsContact O-N 3.1Å; K322-R326 WeakPolarHBondContact O-CB 3.22Å; K322-R326 WeakPolarHBondContact O-CD 3.17Å; K322-R326 WeakPolarHBondContact O-CG 3.33Å; K322-R326 PolarHBondContact O-N 2.99Å; K322-R326 VanDerWaalsContact O-N 3.15Å |
| 323 | A | 85 | Confident | 82.7 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 24% | 0.24 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.7 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K320 H321 L325 R326 R327 | K320-A323 HydrophobicContact CB-CB 4.48Å; K320-A323 WeakPolarHBondContact O-CA 3.49Å; K320-A323 VanDerWaalsContact O-CB 3.27Å; K320-A323 WeakPolarHBondContact O-CB 3.43Å; K320-A323 PolarHBondContact O-N 3.21Å; H321-A323 VanDerWaalsContact C-N 3.31Å; H321-A323 PolarHBondContact O-N 3.28Å; A323-L325 VanDerWaalsContact C-N 3.34Å; A323-L325 PolarHBondContact O-N 2.92Å; A323-R326 PolarHBondContact O-N 3.35Å; A323-R326 VanDerWaalsContact O-N 3.16Å; A323-R327 WeakPolarHBondContact O-CB 3.48Å; A323-R327 PolarHBondContact O-N 3.32Å |
| 324 | V | 85.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.9 | -47.1 | 174.5 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | L289 F310 L319 K320 H321 R326 R327 L328 | L289-V324 HydrophobicContact CD1-CG1 3.81Å; L289-V324 HydrophobicContact CD2-CG1 4.22Å; F310-V324 HydrophobicContact CD1-CG1 4.15Å; F310-V324 HydrophobicContact CE1-CG1 4.44Å; L319-V324 HydrophobicContact CB-CG2 3.64Å; L319-V324 HydrophobicContact CD1-CG2 4.17Å; K320-V324 PolarHBondContact O-N 2.86Å; K320-V324 VanDerWaalsContact O-N 3.17Å; H321-V324 PolarHBondContact O-N 3.13Å; V324-R326 PolarHBondContact O-N 3.14Å; V324-R327 PolarHBondContact O-N 2.82Å; V324-L328 WeakPolarHBondContact O-CB 3.36Å; V324-L328 PolarHBondContact O-N 3.36Å |
| 325 | L | 85.5 | Confident | 83.3 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 38% | 0.377 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 176.6 | -71.1 | -179 | 0 | 0 | 0 | 113.8 | F310 H321 A323 L328 K329 | F310-L325 HydrophobicContact CD2-CD2 4.02Å; F310-L325 HydrophobicContact CE2-CD2 4.18Å; F310-L325 HydrophobicContact CG-CD2 4.31Å; H321-L325 WeakPolarHBondContact NE2-CD1 3.38Å; H321-L325 WeakPolarHBondContact O-CG 3.18Å; H321-L325 PolarHBondContact O-N 3.47Å; A323-L325 VanDerWaalsContact C-N 3.34Å; A323-L325 PolarHBondContact O-N 2.92Å; L325-L328 HydrophobicContact CD2-CD2 4.45Å; L325-K329 PolarHBondContact O-N 2.91Å |
| 326 | R | 85 | Confident | 83.8 | Confident | 163 Ų | 163 | 70.3 Ų | 70.3 | 62% | 0.615 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.9 | -46.3 | 174.2 | -79.7 | 167 | -178.9 | -175.2 | -0.8 | 111.6 | K322 A323 V324 K329 R330 | K322-R326 WeakPolarHBondContact O-CB 3.22Å; K322-R326 WeakPolarHBondContact O-CD 3.17Å; K322-R326 WeakPolarHBondContact O-CG 3.33Å; K322-R326 PolarHBondContact O-N 2.99Å; K322-R326 VanDerWaalsContact O-N 3.15Å; A323-R326 PolarHBondContact O-N 3.35Å; A323-R326 VanDerWaalsContact O-N 3.16Å; V324-R326 PolarHBondContact O-N 3.14Å; R326-K329 WeakPolarHBondContact O-CB 3.48Å; R326-K329 PolarHBondContact O-N 3.5Å; R326-K329 VanDerWaalsContact O-N 3.15Å; R326-R330 PolarHBondContact O-N 2.88Å |
| 327 | R | 87.2 | Confident | 84.5 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 21% | 0.211 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 177 | -172.2 | 169.8 | -178.7 | 123.8 | 2.8 | 110.6 | L281 D286 L289 A323 V324 K329 R330 L331 | L281-R327 PolarHBondContact O-NH2 3.44Å; D286-R327 IonicContact OD1-CZ 3.19Å; D286-R327 IonicContact OD1-NE 2.7Å; D286-R327 PolarHBondContact OD1-NE 2.85Å; D286-R327 IonicContact OD1-NH2 2.82Å; D286-R327 PolarHBondContact OD1-NH2 3.4Å; D286-R327 IonicContact OD2-CZ 3.91Å; D286-R327 IonicContact OD2-NH2 2.86Å; D286-R327 PolarHBondContact OD2-NH2 3Å; L289-R327 HydrophobicContact CD2-CG 4.5Å; A323-R327 WeakPolarHBondContact O-CB 3.48Å; A323-R327 PolarHBondContact O-N 3.32Å; V324-R327 PolarHBondContact O-N 2.82Å; R327-K329 VanDerWaalsContact C-N 3.26Å; R327-K329 PolarHBondContact O-N 2.92Å; R327-R330 WeakPolarHBondContact O-CB 3.44Å; R327-R330 PolarHBondContact O-N 3.2Å; R327-L331 HydrophobicContact CG-CD1 4.41Å; R327-L331 WeakPolarHBondContact O-CG 3.48Å; R327-L331 PolarHBondContact O-N 3.4Å |
| 328 | L | 89.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.8 | -31 | 173.4 | 177.3 | 60.6 | 0 | 0 | 0 | 113.3 | L289 L290 D293 F310 V324 L325 K332 | L289-L328 HydrophobicContact CD2-CB 4.33Å; L289-L328 HydrophobicContact CG-CB 4.41Å; L289-L328 HydrophobicContact CG-CD1 4.31Å; L290-L328 HydrophobicContact CD1-CD1 4.09Å; D293-L328 HydrophobicContact CB-CD1 3.67Å; D293-L328 HydrophobicContact CB-CD2 3.9Å; D293-L328 HydrophobicContact CB-CG 4.32Å; F310-L328 HydrophobicContact CE1-CD2 3.92Å; F310-L328 HydrophobicContact CE2-CD2 4.31Å; F310-L328 HydrophobicContact CZ-CD2 3.5Å; V324-L328 WeakPolarHBondContact O-CB 3.36Å; V324-L328 PolarHBondContact O-N 3.36Å; L325-L328 HydrophobicContact CD2-CD2 4.45Å; L328-K332 VanDerWaalsContact O-CD 3.28Å; L328-K332 WeakPolarHBondContact O-CD 3.27Å; L328-K332 VanDerWaalsContact O-CG 3.25Å; L328-K332 WeakPolarHBondContact O-CG 3.45Å; L328-K332 PolarHBondContact O-N 2.9Å |
| 329 | K | 87.6 | Confident | 86 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.4 | -47.8 | 170.8 | -164.2 | -154.9 | 172.9 | -118.5 | 0 | 111.2 | L325 R326 R327 L331 K332 E333 | L325-K329 PolarHBondContact O-N 2.91Å; R326-K329 WeakPolarHBondContact O-CB 3.48Å; R326-K329 PolarHBondContact O-N 3.5Å; R326-K329 VanDerWaalsContact O-N 3.15Å; R327-K329 VanDerWaalsContact C-N 3.26Å; R327-K329 PolarHBondContact O-N 2.92Å; K329-L331 PolarHBondContact O-N 3.44Å; K329-K332 PolarHBondContact O-N 3.18Å; K329-E333 IonicContact NZ-OE2 2.68Å; K329-E333 PolarHBondContact NZ-OE2 2.89Å; K329-E333 PolarHBondContact O-N 3.1Å; K329-E333 VanDerWaalsContact O-N 3.14Å |
| 330 | R | 87.6 | Confident | 87 | Confident | 108 Ų | 108 | 76 Ų | 76 | 41% | 0.408 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -53.5 | -53.5 | 176 | -70.9 | 176.8 | 169.4 | 167.2 | -3.9 | 110.6 | D201 R326 R327 K332 E333 D334 | D201-R330 IonicContact OD1-CZ 2.82Å; D201-R330 IonicContact OD1-NH1 3.41Å; D201-R330 PolarHBondContact OD1-NH1 3.05Å; D201-R330 IonicContact OD1-NH2 2.72Å; D201-R330 PolarHBondContact OD1-NH2 2.77Å; D201-R330 IonicContact OD2-CZ 2.7Å; D201-R330 IonicContact OD2-NH1 3.42Å; D201-R330 IonicContact OD2-NH2 3.31Å; D201-R330 PolarHBondContact OD2-NH2 2.93Å; R326-R330 PolarHBondContact O-N 2.88Å; R327-R330 WeakPolarHBondContact O-CB 3.44Å; R327-R330 PolarHBondContact O-N 3.2Å; R330-K332 PolarHBondContact O-N 3.2Å; R330-E333 CarbonylContact O-C 3.47Å; R330-E333 WeakPolarHBondContact O-CA 3.38Å; R330-E333 WeakPolarHBondContact O-CB 3.49Å; R330-E333 PolarHBondContact O-N 2.94Å; R330-D334 PolarHBondContact O-N 2.69Å; R330-D334 VanDerWaalsContact O-OD2 3.11Å |
| 331 | L | 90.1 | Very high | 87.5 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.5 | -28.2 | -179.8 | -63.6 | 174.3 | 0 | 0 | 0 | 114.9 | D286 L289 L290 R327 K329 D334 K335 | D286-L331 HydrophobicContact CB-CD1 3.69Å; D286-L331 HydrophobicContact CB-CD2 3.67Å; D286-L331 HydrophobicContact CB-CG 4.33Å; L289-L331 HydrophobicContact CD2-CD1 4.22Å; L290-L331 HydrophobicContact CD1-CB 4.49Å; L290-L331 HydrophobicContact CD2-CB 4.39Å; R327-L331 HydrophobicContact CG-CD1 4.41Å; R327-L331 WeakPolarHBondContact O-CG 3.48Å; R327-L331 PolarHBondContact O-N 3.4Å; K329-L331 PolarHBondContact O-N 3.44Å; L331-D334 PolarHBondContact N-OD2 3.03Å; L331-K335 WeakPolarHBondContact O-CB 3.29Å; L331-K335 PolarHBondContact O-N 2.73Å |
| 332 | K | 88.5 | Confident | 88.2 | Confident | 49 Ų | 49 | 74.2 Ų | 74.2 | 21% | 0.213 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -76.2 | -38.5 | 173.3 | -68.5 | 161.3 | -178.4 | 172.7 | 0 | 112.1 | L290 D293 L328 K329 R330 Q336 L439 | L290-K332 HydrophobicContact CD1-CG 3.72Å; D293-K332 WeakPolarHBondContact OD1-CE 3.29Å; D293-K332 IonicContact OD1-NZ 3.49Å; D293-K332 PolarHBondContact OD1-NZ 2.95Å; D293-K332 WeakPolarHBondContact OD2-CE 3.37Å; D293-K332 IonicContact OD2-NZ 2.63Å; D293-K332 PolarHBondContact OD2-NZ 3.27Å; D293-K332 VanDerWaalsContact OD2-NZ 3.12Å; L328-K332 VanDerWaalsContact O-CD 3.28Å; L328-K332 WeakPolarHBondContact O-CD 3.27Å; L328-K332 VanDerWaalsContact O-CG 3.25Å; L328-K332 WeakPolarHBondContact O-CG 3.45Å; L328-K332 PolarHBondContact O-N 2.9Å; K329-K332 PolarHBondContact O-N 3.18Å; R330-K332 PolarHBondContact O-N 3.2Å; K332-Q336 VanDerWaalsContact O-CB 3.29Å; K332-Q336 WeakPolarHBondContact O-CB 3.46Å; K332-Q336 PolarHBondContact O-N 3.28Å; K332-Q336 VanDerWaalsContact O-N 3.16Å; K332-L439 HydrophobicContact CB-CD2 3.5Å |
| 333 | E | 88.1 | Confident | 88.7 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 175.8 | -158.5 | 154.4 | 179.9 | 0 | 0 | 109.4 | K329 R330 Q336 E337 L439 | K329-E333 IonicContact NZ-OE2 2.68Å; K329-E333 PolarHBondContact NZ-OE2 2.89Å; K329-E333 PolarHBondContact O-N 3.1Å; K329-E333 VanDerWaalsContact O-N 3.14Å; R330-E333 CarbonylContact O-C 3.47Å; R330-E333 WeakPolarHBondContact O-CA 3.38Å; R330-E333 WeakPolarHBondContact O-CB 3.49Å; R330-E333 PolarHBondContact O-N 2.94Å; E333-Q336 PolarHBondContact O-N 3.3Å; E333-E337 PolarHBondContact O-N 3.42Å; E333-L439 HydrophobicContact CB-CD1 4.25Å; E333-L439 HydrophobicContact CB-CD2 4.48Å; E333-L439 HydrophobicContact CG-CD1 4.04Å |
| 334 | D | 87.7 | Confident | 89.2 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 175 | -53.5 | -32.9 | 0 | 0 | 0 | 112.4 | R330 L331 Q336 E337 Q338 | R330-D334 PolarHBondContact O-N 2.69Å; R330-D334 VanDerWaalsContact O-OD2 3.11Å; L331-D334 PolarHBondContact N-OD2 3.03Å; D334-Q336 VanDerWaalsContact C-N 3.26Å; D334-Q336 PolarHBondContact O-N 2.91Å; D334-E337 PolarHBondContact O-N 3.28Å; D334-Q338 WeakPolarHBondContact O-CB 3.37Å; D334-Q338 PolarHBondContact O-N 3.23Å |
| 335 | K | 88.6 | Confident | 89.7 | Confident | 103 Ų | 103 | 72.9 Ų | 72.9 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.2 | -35 | 177 | 174.5 | 170.9 | 175.6 | 175.1 | 0 | 112.2 | L290 L331 Q338 R339 | L290-K335 HydrophobicContact CD2-CB 4.08Å; L290-K335 HydrophobicContact CD2-CD 3.63Å; L290-K335 HydrophobicContact CD2-CG 4.44Å; L290-K335 HydrophobicContact CG-CD 4.48Å; L331-K335 WeakPolarHBondContact O-CB 3.29Å; L331-K335 PolarHBondContact O-N 2.73Å; K335-Q338 PolarHBondContact O-N 3.37Å; K335-R339 PolarHBondContact O-N 3.19Å |
| 336 | Q | 87.8 | Confident | 90.2 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 7% | 0.065 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -79.5 | -31.2 | -179 | -174.1 | 64.9 | 13.3 | 0 | 0 | 112 | K332 E333 D334 R339 M340 C431 S435 | K332-Q336 VanDerWaalsContact O-CB 3.29Å; K332-Q336 WeakPolarHBondContact O-CB 3.46Å; K332-Q336 PolarHBondContact O-N 3.28Å; K332-Q336 VanDerWaalsContact O-N 3.16Å; E333-Q336 PolarHBondContact O-N 3.3Å; D334-Q336 VanDerWaalsContact C-N 3.26Å; D334-Q336 PolarHBondContact O-N 2.91Å; Q336-R339 PolarHBondContact O-N 2.98Å; Q336-M340 PolarHBondContact O-N 2.88Å; Q336-C431 PolarHBondContact NE2-O 2.93Å; Q336-S435 VanDerWaalsContact CG-CB 3.48Å; Q336-S435 WeakPolarHBondContact CG-OG 3.48Å; Q336-S435 PolarHBondContact NE2-OG 3.3Å |
| 337 | E | 87.5 | Confident | 90.8 | Very high | 100 Ų | 100 | 63.3 Ų | 63.3 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 166.3 | -173.3 | 152.4 | -124 | 0 | 0 | 111.1 | E333 D334 R339 M340 N341 | E333-E337 PolarHBondContact O-N 3.42Å; D334-E337 PolarHBondContact O-N 3.28Å; E337-R339 VanDerWaalsContact C-N 3.27Å; E337-R339 PolarHBondContact O-N 3.36Å; E337-M340 HydrophobicContact CG-CE 4.3Å; E337-M340 CarbonylContact O-C 3.58Å; E337-M340 WeakPolarHBondContact O-CA 3.39Å; E337-M340 WeakPolarHBondContact O-CB 3.27Å; E337-M340 PolarHBondContact O-N 2.78Å; E337-N341 PolarHBondContact O-N 3.01Å; E337-N341 PolarHBondContact O-OD1 3.35Å |
| 338 | Q | 89.1 | Confident | 91.3 | Very high | 140 Ų | 140 | 61.3 Ų | 61.3 | 65% | 0.654 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.4 | -32.3 | 173.8 | -167.8 | -178.8 | 13.9 | 0 | 0 | 113.3 | D334 K335 M340 P342 | D334-Q338 WeakPolarHBondContact O-CB 3.37Å; D334-Q338 PolarHBondContact O-N 3.23Å; K335-Q338 PolarHBondContact O-N 3.37Å; Q338-M340 VanDerWaalsContact C-N 3.28Å; Q338-P342 WeakPolarHBondContact O-CD 3.48Å |
| 339 | R | 89.4 | Confident | 91.6 | Very high | 132 Ų | 132 | 68.2 Ų | 68.2 | 50% | 0.498 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.4 | -26.8 | 170.9 | 178.1 | -175.6 | 165 | 95.1 | -11.3 | 112.5 | K335 Q336 E337 E434 | K335-R339 PolarHBondContact O-N 3.19Å; Q336-R339 PolarHBondContact O-N 2.98Å; E337-R339 VanDerWaalsContact C-N 3.27Å; E337-R339 PolarHBondContact O-N 3.36Å; R339-E434 IonicContact CZ-OE2 3.83Å; R339-E434 IonicContact NE-OE2 2.85Å; R339-E434 PolarHBondContact NE-OE2 2.78Å; R339-E434 IonicContact NH2-OE1 2.9Å; R339-E434 PolarHBondContact NH2-OE1 2.89Å; R339-E434 IonicContact NH2-OE2 3.92Å; R339-E434 PolarHBondContact NH2-OE2 3.32Å |
| 340 | M | 92.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.02 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -88.1 | -35 | -179 | -172.3 | 177.7 | 61.8 | 0 | 0 | 112.4 | Q336 E337 Q338 L343 L344 I428 L452 | Q336-M340 PolarHBondContact O-N 2.88Å; E337-M340 HydrophobicContact CG-CE 4.3Å; E337-M340 CarbonylContact O-C 3.58Å; E337-M340 WeakPolarHBondContact O-CA 3.39Å; E337-M340 WeakPolarHBondContact O-CB 3.27Å; E337-M340 PolarHBondContact O-N 2.78Å; Q338-M340 VanDerWaalsContact C-N 3.28Å; M340-L343 WeakPolarHBondContact O-CA 3.49Å; M340-L343 WeakPolarHBondContact O-CB 3.28Å; M340-L343 PolarHBondContact O-N 3.18Å; M340-L344 HydrophobicContact CE-CD1 4.16Å; M340-L344 HydrophobicContact CG-CD1 4.31Å; M340-L344 HydrophobicContact CG-CG 4.21Å; M340-L344 PolarHBondContact O-N 3.11Å; M340-L344 VanDerWaalsContact O-N 3.1Å; M340-I428 HydrophobicContact CG-CG2 4.25Å; M340-I428 HydrophobicContact SD-CG2 4.24Å; M340-L452 HydrophobicContact CE-CD1 3.88Å; M340-L452 HydrophobicContact SD-CD1 3.89Å; M340-L452 HydrophobicContact SD-CD2 4.09Å |
| 341 | N | 93 | Very high | 92.5 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -48.1 | -52.8 | -178.8 | -69.4 | -7.3 | 0 | 0 | 0 | 115.3 | E337 L343 L344 D345 | E337-N341 PolarHBondContact O-N 3.01Å; E337-N341 PolarHBondContact O-OD1 3.35Å; N341-L343 PolarHBondContact O-N 2.85Å; N341-L343 VanDerWaalsContact O-N 3.11Å; N341-L344 WeakPolarHBondContact O-CA 3.23Å; N341-L344 WeakPolarHBondContact O-CB 3.42Å; N341-L344 PolarHBondContact O-N 2.83Å; N341-D345 PolarHBondContact O-N 3.49Å |
| 342 | P | 94.5 | Very high | 92.8 | Very high | 77 Ų | 77 | 61.3 Ų | 61.3 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.4 | -19.1 | -179.6 | 26.8 | -35.7 | 0 | 0 | 0 | 113.6 | Q338 A346 | Q338-P342 WeakPolarHBondContact O-CD 3.48Å; P342-A346 WeakPolarHBondContact O-CB 3.34Å; P342-A346 PolarHBondContact O-N 2.94Å |
| 343 | L | 94.6 | Very high | 93.1 | Very high | 41 Ų | 41 | 63.2 Ų | 63.2 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -79.5 | -35.3 | 171.1 | -56.1 | 173.4 | 0 | 0 | 0 | 111.4 | M340 N341 L347 K427 I428 C431 | M340-L343 WeakPolarHBondContact O-CA 3.49Å; M340-L343 WeakPolarHBondContact O-CB 3.28Å; M340-L343 PolarHBondContact O-N 3.18Å; N341-L343 PolarHBondContact O-N 2.85Å; N341-L343 VanDerWaalsContact O-N 3.11Å; L343-L347 VanDerWaalsContact O-CB 3.25Å; L343-L347 WeakPolarHBondContact O-CB 3.15Å; L343-L347 PolarHBondContact O-N 3.18Å; L343-K427 HydrophobicContact CD1-CB 4.25Å; L343-I428 HydrophobicContact CB-CD1 4.15Å; L343-I428 HydrophobicContact CB-CG1 3.53Å; L343-I428 HydrophobicContact CD1-CG1 4.29Å; L343-C431 HydrophobicContact CD1-CB 4.26Å |
| 344 | L | 95.5 | Very high | 93.4 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66 | -44 | 173.3 | -64.6 | 174.7 | 0 | 0 | 0 | 111.3 | M340 N341 L347 G348 I428 L456 | M340-L344 HydrophobicContact CE-CD1 4.16Å; M340-L344 HydrophobicContact CG-CD1 4.31Å; M340-L344 HydrophobicContact CG-CG 4.21Å; M340-L344 PolarHBondContact O-N 3.11Å; M340-L344 VanDerWaalsContact O-N 3.1Å; N341-L344 WeakPolarHBondContact O-CA 3.23Å; N341-L344 WeakPolarHBondContact O-CB 3.42Å; N341-L344 PolarHBondContact O-N 2.83Å; L344-L347 PolarHBondContact O-N 2.76Å; L344-G348 PolarHBondContact O-N 3.14Å; L344-I428 HydrophobicContact CD2-CD1 3.98Å; L344-I428 HydrophobicContact CD2-CG1 4.44Å; L344-I428 HydrophobicContact CD2-CG2 4.28Å; L344-L456 HydrophobicContact CD2-CD2 3.42Å; L344-L456 VanDerWaalsContact CD2-CD2 3.42Å |
| 345 | D | 95.1 | Very high | 93.8 | Very high | 97 Ų | 97 | 57.1 Ų | 57.1 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 177.4 | -63.3 | -37.8 | 0 | 0 | 0 | 110.5 | N341 L347 G348 E349 | N341-D345 PolarHBondContact O-N 3.49Å; D345-L347 VanDerWaalsContact C-N 3.35Å; D345-L347 PolarHBondContact O-N 3.11Å; D345-G348 PolarHBondContact O-N 2.82Å; D345-G348 VanDerWaalsContact O-N 3.15Å; D345-E349 PolarHBondContact O-N 3.34Å |
| 346 | A | 96.6 | Very high | 94.1 | Very high | 34 Ų | 34 | 56 Ų | 56 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | P342 E349 A350 L424 | P342-A346 WeakPolarHBondContact O-CB 3.34Å; P342-A346 PolarHBondContact O-N 2.94Å; A346-E349 PolarHBondContact O-N 2.87Å; A346-A350 WeakPolarHBondContact O-CB 3.43Å; A346-A350 PolarHBondContact O-N 3.05Å; A346-L424 HydrophobicContact CB-CD1 4.24Å; A346-L424 HydrophobicContact CB-CD2 4.05Å |
| 347 | L | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 173.7 | 177.5 | 61.2 | 0 | 0 | 0 | 110.9 | L343 L344 D345 A350 I351 C421 L424 F425 I428 L456 L459 W460 | L343-L347 VanDerWaalsContact O-CB 3.25Å; L343-L347 WeakPolarHBondContact O-CB 3.15Å; L343-L347 PolarHBondContact O-N 3.18Å; L344-L347 PolarHBondContact O-N 2.76Å; D345-L347 VanDerWaalsContact C-N 3.35Å; D345-L347 PolarHBondContact O-N 3.11Å; L347-A350 PolarHBondContact O-N 3.23Å; L347-I351 HydrophobicContact CD1-CD1 3.84Å; L347-I351 HydrophobicContact CD1-CG1 4.07Å; L347-I351 HydrophobicContact CD2-CD1 4.44Å; L347-I351 HydrophobicContact CG-CD1 3.71Å; L347-I351 HydrophobicContact CG-CG1 4.4Å; L347-I351 WeakPolarHBondContact O-CB 3.36Å; L347-I351 WeakPolarHBondContact O-CD1 3.26Å; L347-I351 WeakPolarHBondContact O-CG1 3.49Å; L347-I351 PolarHBondContact O-N 2.96Å; L347-C421 HydrophobicContact CD1-CB 3.78Å; L347-L424 HydrophobicContact CB-CB 4.19Å; L347-L424 HydrophobicContact CD1-CB 4.13Å; L347-F425 HydrophobicContact CD2-CB 4.48Å; L347-I428 HydrophobicContact CB-CD1 3.96Å; L347-I428 HydrophobicContact CD2-CD1 3.5Å; L347-I428 VanDerWaalsContact CD2-CD1 3.5Å; L347-I428 HydrophobicContact CG-CD1 4.34Å; L347-L456 HydrophobicContact CD2-CD2 4.11Å; L347-L459 HydrophobicContact CB-CD1 4.34Å; L347-L459 HydrophobicContact CD2-CD1 3.82Å; L347-L459 HydrophobicContact CG-CD1 3.98Å; L347-W460 HydrophobicContact CD2-CH2 4.28Å |
| 348 | G | 96.9 | Very high | 94.8 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 13% | 0.134 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L344 D345 S352 | L344-G348 PolarHBondContact O-N 3.14Å; D345-G348 PolarHBondContact O-N 2.82Å; D345-G348 VanDerWaalsContact O-N 3.15Å; G348-S352 VanDerWaalsContact O-CB 3.3Å; G348-S352 WeakPolarHBondContact O-CB 3.32Å; G348-S352 PolarHBondContact O-N 3.48Å; G348-S352 PolarHBondContact O-OG 3.41Å |
| 349 | E | 96.6 | Very high | 95.1 | Very high | 146 Ų | 146 | 52 Ų | 52 | 68% | 0.682 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.8 | -47.4 | 174.7 | -173.5 | 169.5 | -165.8 | 0 | 0 | 111.8 | D345 A346 I351 S352 S353 | D345-E349 PolarHBondContact O-N 3.34Å; A346-E349 PolarHBondContact O-N 2.87Å; E349-I351 PolarHBondContact O-N 3.32Å; E349-S352 WeakPolarHBondContact O-CB 3.42Å; E349-S352 PolarHBondContact O-N 3.14Å; E349-S352 VanDerWaalsContact O-N 3.14Å; E349-S353 WeakPolarHBondContact O-CB 3.27Å; E349-S353 PolarHBondContact O-N 2.7Å |
| 350 | A | 96.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.5 | -35.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A346 L347 S354 E420 C421 L424 | A346-A350 WeakPolarHBondContact O-CB 3.43Å; A346-A350 PolarHBondContact O-N 3.05Å; L347-A350 PolarHBondContact O-N 3.23Å; A350-S354 WeakPolarHBondContact O-CB 3.39Å; A350-S354 PolarHBondContact O-N 3.14Å; A350-S354 PolarHBondContact O-OG 2.99Å; A350-E420 HydrophobicContact CB-CG 3.83Å; A350-E420 WeakPolarHBondContact CB-OE2 3.26Å; A350-C421 WeakPolarHBondContact CB-SG 3.5Å; A350-L424 HydrophobicContact CB-CD1 3.91Å |
| 351 | I | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 170.5 | -66.9 | 160.3 | 0 | 0 | 0 | 109.8 | L347 E349 S353 S354 M355 L459 W460 | L347-I351 HydrophobicContact CD1-CD1 3.84Å; L347-I351 HydrophobicContact CD1-CG1 4.07Å; L347-I351 HydrophobicContact CD2-CD1 4.44Å; L347-I351 HydrophobicContact CG-CD1 3.71Å; L347-I351 HydrophobicContact CG-CG1 4.4Å; L347-I351 WeakPolarHBondContact O-CB 3.36Å; L347-I351 WeakPolarHBondContact O-CD1 3.26Å; L347-I351 WeakPolarHBondContact O-CG1 3.49Å; L347-I351 PolarHBondContact O-N 2.96Å; E349-I351 PolarHBondContact O-N 3.32Å; I351-S353 VanDerWaalsContact C-N 3.26Å; I351-S353 PolarHBondContact O-N 3.42Å; I351-S354 WeakPolarHBondContact CA-OG 3.47Å; I351-S354 PolarHBondContact O-N 3.31Å; I351-S354 VanDerWaalsContact O-N 3.15Å; I351-S354 PolarHBondContact O-OG 3.43Å; I351-M355 HydrophobicContact CG2-CE 3.81Å; I351-M355 WeakPolarHBondContact O-CB 3.48Å; I351-M355 PolarHBondContact O-N 3.41Å; I351-L459 HydrophobicContact CD1-CB 3.71Å; I351-L459 HydrophobicContact CD1-CD1 4.4Å; I351-L459 WeakPolarHBondContact CG2-O 3.45Å; I351-W460 HydrophobicContact CD1-CD2 3.73Å; I351-W460 VanDerWaalsContact CD1-CE2 3.48Å; I351-W460 HydrophobicContact CD1-CE3 3.91Å; I351-W460 HydrophobicContact CD1-CG 4.48Å; I351-W460 HydrophobicContact CD1-CH2 3.69Å; I351-W460 HydrophobicContact CD1-CZ2 3.48Å; I351-W460 VanDerWaalsContact CD1-CZ2 3.48Å; I351-W460 HydrophobicContact CD1-CZ3 3.88Å; I351-W460 HydrophobicContact CG1-CZ2 4.06Å; I351-W460 HydrophobicContact CG2-CG 4.29Å |
| 352 | S | 95.6 | Very high | 95.5 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 58% | 0.58 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.5 | -35.4 | 179.4 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | G348 E349 P356 | G348-S352 VanDerWaalsContact O-CB 3.3Å; G348-S352 WeakPolarHBondContact O-CB 3.32Å; G348-S352 PolarHBondContact O-N 3.48Å; G348-S352 PolarHBondContact O-OG 3.41Å; E349-S352 WeakPolarHBondContact O-CB 3.42Å; E349-S352 PolarHBondContact O-N 3.14Å; E349-S352 VanDerWaalsContact O-N 3.14Å; S352-P356 VanDerWaalsContact O-CD 3.27Å; S352-P356 WeakPolarHBondContact O-CD 3.47Å |
| 353 | S | 95.2 | Very high | 95.6 | Very high | 90 Ų | 90 | 51 Ų | 51 | 63% | 0.629 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -70.9 | -40.8 | 174.3 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | E349 I351 | E349-S353 WeakPolarHBondContact O-CB 3.27Å; E349-S353 PolarHBondContact O-N 2.7Å; I351-S353 VanDerWaalsContact C-N 3.26Å; I351-S353 PolarHBondContact O-N 3.42Å |
| 354 | S | 95.1 | Very high | 95.6 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 12% | 0.119 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -85.5 | -17.7 | -177.3 | 57.6 | 0 | 0 | 0 | 0 | 115 | A350 I351 P357 I358 Y415 | A350-S354 WeakPolarHBondContact O-CB 3.39Å; A350-S354 PolarHBondContact O-N 3.14Å; A350-S354 PolarHBondContact O-OG 2.99Å; I351-S354 WeakPolarHBondContact CA-OG 3.47Å; I351-S354 PolarHBondContact O-N 3.31Å; I351-S354 VanDerWaalsContact O-N 3.15Å; I351-S354 PolarHBondContact O-OG 3.43Å; S354-P357 WeakPolarHBondContact O-CD 3.08Å; S354-P357 WeakPolarHBondContact O-CG 3.43Å; S354-I358 WeakPolarHBondContact O-CD1 3.46Å; S354-I358 WeakPolarHBondContact O-CG1 3.36Å; S354-Y415 PolarHBondContact OG-OH 2.76Å; S354-Y415 VanDerWaalsContact OG-OH 3.05Å |
| 355 | M | 95.2 | Very high | 95.6 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.3 | -42.2 | -175 | -169.7 | 58.5 | 52.3 | 0 | 0 | 115.2 | I351 I358 I359 Y415 P461 W464 | I351-M355 HydrophobicContact CG2-CE 3.81Å; I351-M355 WeakPolarHBondContact O-CB 3.48Å; I351-M355 PolarHBondContact O-N 3.41Å; M355-I358 WeakPolarHBondContact O-CB 3.16Å; M355-I358 PolarHBondContact O-N 2.78Å; M355-I358 VanDerWaalsContact O-N 3.11Å; M355-I359 HydrophobicContact CG-CD1 3.61Å; M355-I359 HydrophobicContact CG-CG1 3.97Å; M355-I359 PolarHBondContact O-N 2.94Å; M355-I359 HydrophobicContact SD-CD1 4.16Å; M355-I359 HydrophobicContact SD-CG1 3.97Å; M355-Y415 HydrophobicContact CE-CD2 3.62Å; M355-Y415 HydrophobicContact CE-CE2 3.77Å; M355-P461 HydrophobicContact CE-CG 4.36Å; M355-P461 HydrophobicContact CG-CG 3.94Å; M355-P461 HydrophobicContact SD-CG 3.98Å; M355-W464 HydrophobicContact SD-CD2 4.36Å; M355-W464 HydrophobicContact SD-CG 4.43Å |
| 356 | P | 95.4 | Very high | 95.5 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.5 | -50.9 | -176.9 | -26.3 | 35 | 0 | 0 | 0 | 115.3 | S352 I358 I359 E360 | S352-P356 VanDerWaalsContact O-CD 3.27Å; S352-P356 WeakPolarHBondContact O-CD 3.47Å; P356-I358 VanDerWaalsContact C-N 3.26Å; P356-I358 PolarHBondContact O-N 2.78Å; P356-I359 PolarHBondContact O-N 3.21Å; P356-E360 PolarHBondContact O-N 2.87Å |
| 357 | P | 94.6 | Very high | 95.5 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68 | -24.3 | 178.1 | 27.4 | -35.6 | 0 | 0 | 0 | 113.2 | S354 S361 | S354-P357 WeakPolarHBondContact O-CD 3.08Å; S354-P357 WeakPolarHBondContact O-CG 3.43Å; P357-S361 WeakPolarHBondContact O-CB 3.48Å; P357-S361 PolarHBondContact O-N 3.09Å |
| 358 | I | 95.1 | Very high | 95.4 | Very high | 26 Ų | 26 | 64 Ų | 64 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.6 | -42 | 174.3 | -65 | 174.4 | 0 | 0 | 0 | 110.4 | S354 M355 P356 Y362 Y415 R416 W464 | S354-I358 WeakPolarHBondContact O-CD1 3.46Å; S354-I358 WeakPolarHBondContact O-CG1 3.36Å; M355-I358 WeakPolarHBondContact O-CB 3.16Å; M355-I358 PolarHBondContact O-N 2.78Å; M355-I358 VanDerWaalsContact O-N 3.11Å; P356-I358 VanDerWaalsContact C-N 3.26Å; P356-I358 PolarHBondContact O-N 2.78Å; I358-Y362 PolarHBondContact O-N 2.8Å; I358-Y362 VanDerWaalsContact O-N 3.12Å; I358-Y415 HydrophobicContact CD1-CD2 3.75Å; I358-Y415 HydrophobicContact CD1-CE2 3.59Å; I358-R416 HydrophobicContact CD1-CB 4.43Å; I358-W464 HydrophobicContact CG2-CE3 4.04Å; I358-W464 HydrophobicContact CG2-CH2 3.88Å; I358-W464 HydrophobicContact CG2-CZ3 3.45Å; I358-W464 VanDerWaalsContact CG2-CZ3 3.45Å |
| 359 | I | 95.1 | Very high | 95.2 | Very high | 69 Ų | 69 | 64.5 Ų | 64.5 | 35% | 0.354 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 173.8 | -67.5 | 176 | 0 | 0 | 0 | 110.8 | M355 P356 Y362 T363 W464 | M355-I359 HydrophobicContact CG-CD1 3.61Å; M355-I359 HydrophobicContact CG-CG1 3.97Å; M355-I359 PolarHBondContact O-N 2.94Å; M355-I359 HydrophobicContact SD-CD1 4.16Å; M355-I359 HydrophobicContact SD-CG1 3.97Å; P356-I359 PolarHBondContact O-N 3.21Å; I359-Y362 PolarHBondContact O-N 2.96Å; I359-T363 WeakPolarHBondContact O-CB 3.11Å; I359-T363 PolarHBondContact O-N 3.31Å; I359-T363 PolarHBondContact O-OG1 3.48Å; I359-W464 HydrophobicContact CB-CZ2 4.46Å; I359-W464 HydrophobicContact CG1-CH2 4.45Å; I359-W464 HydrophobicContact CG1-CZ2 3.76Å |
| 360 | E | 95.2 | Very high | 95.1 | Very high | 107 Ų | 107 | 62.3 Ų | 62.3 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 178.1 | -167.5 | -144.4 | 111.2 | 0 | 0 | 111.4 | P356 Y362 T363 R364 | P356-E360 PolarHBondContact O-N 2.87Å; E360-Y362 PolarHBondContact O-N 2.99Å; E360-T363 WeakPolarHBondContact O-CB 3.31Å; E360-T363 PolarHBondContact O-N 2.89Å; E360-T363 VanDerWaalsContact O-N 3.11Å; E360-R364 PolarHBondContact O-N 3.05Å; E360-R364 IonicContact OE1-CZ 3.32Å; E360-R364 IonicContact OE1-NE 2.87Å; E360-R364 PolarHBondContact OE1-NE 3.28Å; E360-R364 IonicContact OE1-NH2 2.86Å; E360-R364 PolarHBondContact OE1-NH2 3.29Å |
| 361 | S | 93.8 | Very high | 95 | Very high | 34 Ų | 34 | 68.5 Ų | 68.5 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 176.9 | -164.6 | 0 | 0 | 0 | 0 | 112.3 | P357 T363 R364 D365 | P357-S361 WeakPolarHBondContact O-CB 3.48Å; P357-S361 PolarHBondContact O-N 3.09Å; S361-T363 PolarHBondContact O-N 3.3Å; S361-R364 PolarHBondContact O-N 2.78Å; S361-D365 WeakPolarHBondContact O-CB 3.48Å; S361-D365 PolarHBondContact O-N 2.91Å |
| 362 | Y | 95.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 75.6 Ų | 75.6 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.6 | -30.5 | 176.2 | 174.6 | -97.7 | 0 | 0 | 0 | 113.1 | I358 I359 E360 K366 P411 K413 W464 | I358-Y362 PolarHBondContact O-N 2.8Å; I358-Y362 VanDerWaalsContact O-N 3.12Å; I359-Y362 PolarHBondContact O-N 2.96Å; E360-Y362 PolarHBondContact O-N 2.99Å; Y362-K366 WeakPolarHBondContact O-CB 3.31Å; Y362-K366 PolarHBondContact O-N 3.39Å; Y362-P411 HydrophobicContact CD2-CB 4.38Å; Y362-P411 HydrophobicContact CE2-CB 4.07Å; Y362-P411 HydrophobicContact CE2-CG 4.17Å; Y362-P411 WeakPolarHBondContact CE2-O 3.47Å; Y362-K413 HydrophobicContact CD2-CG 4.45Å; Y362-K413 HydrophobicContact CE1-CG 4.2Å; Y362-K413 HydrophobicContact CE2-CG 3.96Å; Y362-W464 HydrophobicContact CD1-CH2 4.19Å; Y362-W464 HydrophobicContact CD1-CZ2 4.26Å; Y362-W464 HydrophobicContact CD2-CH2 4.38Å; Y362-W464 AromaticContact CG-CH2 3.78Å; Y362-W464 HydrophobicContact CG-CH2 3.78Å; Y362-W464 HydrophobicContact CG-CZ2 4.31Å |
| 363 | T | 95.4 | Very high | 94.5 | Very high | 59 Ų | 59 | 73 Ų | 73 | 36% | 0.362 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.4 | -46.2 | 176.1 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | I359 E360 S361 K366 E367 | I359-T363 WeakPolarHBondContact O-CB 3.11Å; I359-T363 PolarHBondContact O-N 3.31Å; I359-T363 PolarHBondContact O-OG1 3.48Å; E360-T363 WeakPolarHBondContact O-CB 3.31Å; E360-T363 PolarHBondContact O-N 2.89Å; E360-T363 VanDerWaalsContact O-N 3.11Å; S361-T363 PolarHBondContact O-N 3.3Å; T363-K366 WeakPolarHBondContact O-CB 3.49Å; T363-K366 PolarHBondContact O-N 2.9Å; T363-E367 WeakPolarHBondContact O-CG 3.39Å; T363-E367 PolarHBondContact O-N 3.38Å |
| 364 | R | 95.5 | Very high | 94.4 | Very high | 112 Ų | 112 | 75.7 Ų | 75.7 | 42% | 0.423 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 171.8 | -70.4 | -173.1 | -83.3 | 89.9 | -4.3 | 112.6 | E360 S361 K366 E367 V368 | E360-R364 PolarHBondContact O-N 3.05Å; E360-R364 IonicContact OE1-CZ 3.32Å; E360-R364 IonicContact OE1-NE 2.87Å; E360-R364 PolarHBondContact OE1-NE 3.28Å; E360-R364 IonicContact OE1-NH2 2.86Å; E360-R364 PolarHBondContact OE1-NH2 3.29Å; S361-R364 PolarHBondContact O-N 2.78Å; R364-K366 PolarHBondContact O-N 3.5Å; R364-E367 PolarHBondContact O-N 2.86Å; R364-E367 VanDerWaalsContact O-N 3.14Å; R364-V368 WeakPolarHBondContact O-CG2 3.42Å; R364-V368 PolarHBondContact O-N 3.12Å |
| 365 | D | 94.2 | Very high | 94.2 | Very high | 73 Ų | 73 | 77.4 Ų | 77.4 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -32.8 | 176.7 | -64.5 | -26.8 | 0 | 0 | 0 | 111.8 | S361 H369 P411 | S361-D365 WeakPolarHBondContact O-CB 3.48Å; S361-D365 PolarHBondContact O-N 2.91Å; D365-H369 VanDerWaalsContact O-CB 3.25Å; D365-H369 WeakPolarHBondContact O-CB 3.46Å; D365-H369 PolarHBondContact O-N 3.28Å; D365-H369 VanDerWaalsContact O-N 3.07Å; D365-P411 HydrophobicContact CB-CB 4.14Å |
| 366 | K | 94.3 | Very high | 93.9 | Very high | 109 Ų | 109 | 79.5 Ų | 79.5 | 47% | 0.474 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.2 | -38.8 | 174.1 | -178.9 | -167.2 | 171.4 | -160.6 | 0 | 112.4 | Y362 T363 R364 H369 L370 P411 | Y362-K366 WeakPolarHBondContact O-CB 3.31Å; Y362-K366 PolarHBondContact O-N 3.39Å; T363-K366 WeakPolarHBondContact O-CB 3.49Å; T363-K366 PolarHBondContact O-N 2.9Å; R364-K366 PolarHBondContact O-N 3.5Å; K366-H369 PolarHBondContact O-N 2.85Å; K366-L370 WeakPolarHBondContact O-CG 3.44Å; K366-L370 PolarHBondContact O-N 3.2Å; K366-P411 HydrophobicContact CB-CG 4.15Å |
| 367 | E | 95.7 | Very high | 93.7 | Very high | 104 Ų | 104 | 80.2 Ų | 80.2 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -50.8 | 175.6 | -71.2 | 161.6 | 175.8 | 0 | 0 | 110.9 | T363 R364 H369 L370 E371 | T363-E367 WeakPolarHBondContact O-CG 3.39Å; T363-E367 PolarHBondContact O-N 3.38Å; R364-E367 PolarHBondContact O-N 2.86Å; R364-E367 VanDerWaalsContact O-N 3.14Å; E367-H369 PolarHBondContact O-N 2.74Å; E367-L370 WeakPolarHBondContact O-CB 3.48Å; E367-L370 PolarHBondContact O-N 3.11Å; E367-E371 PolarHBondContact O-N 2.83Å |
| 368 | V | 94.3 | Very high | 93.4 | Very high | 69 Ų | 69 | 79.9 Ų | 79.9 | 42% | 0.418 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.9 | -34.6 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | R364 R372 | R364-V368 WeakPolarHBondContact O-CG2 3.42Å; R364-V368 PolarHBondContact O-N 3.12Å; V368-R372 WeakPolarHBondContact O-CB 3.44Å; V368-R372 PolarHBondContact O-N 3.14Å |
| 369 | H | 93.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 83.5 Ų | 83.5 | 11% | 0.111 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 173.5 | 166.8 | 74.5 | 0 | 0 | 0 | 113 | D365 K366 E367 R372 I373 P408 G409 P410 P411 | D365-H369 VanDerWaalsContact O-CB 3.25Å; D365-H369 WeakPolarHBondContact O-CB 3.46Å; D365-H369 PolarHBondContact O-N 3.28Å; D365-H369 VanDerWaalsContact O-N 3.07Å; K366-H369 PolarHBondContact O-N 2.85Å; E367-H369 PolarHBondContact O-N 2.74Å; H369-R372 PolarHBondContact O-N 3.14Å; H369-I373 VanDerWaalsContact CE1-CD1 3.41Å; H369-I373 WeakPolarHBondContact CE1-CD1 3.4Å; H369-I373 VanDerWaalsContact NE2-CD1 3.32Å; H369-I373 WeakPolarHBondContact NE2-CD1 3.36Å; H369-I373 PolarHBondContact O-N 3.26Å; H369-P408 PolarHBondContact CE1-O 2.92Å; H369-G409 PolarHBondContact CE1-O 3.43Å; H369-G409 VanDerWaalsContact CE1-O 3.24Å; H369-G409 PolarHBondContact ND1-O 3.26Å; H369-P410 WeakPolarHBondContact CE1-CA 3.49Å; H369-P411 HydrophobicContact CB-CG 4.38Å |
| 370 | L | 94.7 | Very high | 91.9 | Very high | 100 Ų | 100 | 80.9 Ų | 80.9 | 52% | 0.524 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 175.4 | -70.6 | 168 | 0 | 0 | 0 | 111.5 | K366 E367 R372 I373 K374 | K366-L370 WeakPolarHBondContact O-CG 3.44Å; K366-L370 PolarHBondContact O-N 3.2Å; E367-L370 WeakPolarHBondContact O-CB 3.48Å; E367-L370 PolarHBondContact O-N 3.11Å; L370-R372 VanDerWaalsContact C-N 3.35Å; L370-I373 PolarHBondContact O-N 3.21Å; L370-K374 PolarHBondContact O-N 2.81Å |
| 371 | E | 93.8 | Very high | 90.7 | Very high | 134 Ų | 134 | 82.7 Ų | 82.7 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | 172.2 | -67.4 | -176.4 | 149.3 | 0 | 0 | 111.7 | E367 K374 A375 | E367-E371 PolarHBondContact O-N 2.83Å; E371-K374 WeakPolarHBondContact O-CB 3.39Å; E371-K374 PolarHBondContact O-N 2.78Å; E371-A375 PolarHBondContact O-N 2.68Å |
| 372 | R | 91.5 | Very high | 89.2 | Confident | 151 Ų | 151 | 88.6 Ų | 88.6 | 57% | 0.57 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.2 | -37.5 | 177.6 | -158.5 | -173.4 | -60.2 | 170.9 | 1.2 | 112.8 | V368 H369 L370 W376 P408 | V368-R372 WeakPolarHBondContact O-CB 3.44Å; V368-R372 PolarHBondContact O-N 3.14Å; H369-R372 PolarHBondContact O-N 3.14Å; L370-R372 VanDerWaalsContact C-N 3.35Å; R372-W376 VanDerWaalsContact O-CB 3.27Å; R372-W376 WeakPolarHBondContact O-CB 3.42Å; R372-W376 PolarHBondContact O-N 2.97Å; R372-P408 HydrophobicContact CB-CG 4.29Å; R372-P408 HydrophobicContact CG-CB 4.26Å; R372-P408 HydrophobicContact CG-CG 3.74Å |
| 373 | I | 91.4 | Very high | 87.4 | Confident | 30 Ų | 30 | 89 Ų | 89 | 15% | 0.154 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 171 | -78.1 | -176.2 | 0 | 0 | 0 | 110.5 | H369 L370 W376 Q377 P408 | H369-I373 VanDerWaalsContact CE1-CD1 3.41Å; H369-I373 WeakPolarHBondContact CE1-CD1 3.4Å; H369-I373 VanDerWaalsContact NE2-CD1 3.32Å; H369-I373 WeakPolarHBondContact NE2-CD1 3.36Å; H369-I373 PolarHBondContact O-N 3.26Å; L370-I373 PolarHBondContact O-N 3.21Å; I373-W376 PolarHBondContact O-N 3.2Å; I373-Q377 HydrophobicContact CG2-CG 4.41Å; I373-Q377 VanDerWaalsContact O-CG 3.3Å; I373-Q377 WeakPolarHBondContact O-CG 3.47Å; I373-Q377 PolarHBondContact O-N 3.18Å; I373-P408 HydrophobicContact CG1-CB 4.3Å |
| 374 | K | 92.1 | Very high | 85 | Confident | 146 Ų | 146 | 88.9 Ų | 88.9 | 64% | 0.635 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 179 | -174.3 | -175.4 | 175.6 | -171.3 | 0 | 111.9 | L370 E371 Q377 T378 | L370-K374 PolarHBondContact O-N 2.81Å; E371-K374 WeakPolarHBondContact O-CB 3.39Å; E371-K374 PolarHBondContact O-N 2.78Å; K374-Q377 WeakPolarHBondContact O-CB 3.43Å; K374-Q377 PolarHBondContact O-N 3.12Å; K374-T378 PolarHBondContact O-N 3.22Å; K374-T378 PolarHBondContact O-OG1 3.39Å |
| 375 | A | 90.9 | Very high | 82.6 | Confident | 53 Ų | 53 | 89 Ų | 89 | 44% | 0.438 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E371 Q377 T378 E379 | E371-A375 PolarHBondContact O-N 2.68Å; A375-Q377 VanDerWaalsContact C-N 3.31Å; A375-Q377 PolarHBondContact O-N 3Å; A375-T378 WeakPolarHBondContact CA-OG1 3.3Å; A375-T378 PolarHBondContact O-N 3.25Å; A375-T378 PolarHBondContact O-OG1 2.97Å; A375-E379 PolarHBondContact O-N 3.16Å |
| 376 | W | 90.5 | Very high | 80.2 | Confident | 54 Ų | 54 | 93.9 Ų | 93.9 | 21% | 0.205 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 174.7 | 176.9 | 85.6 | 0 | 0 | 0 | 112.2 | R372 I373 N380 P405 K407 P408 | R372-W376 VanDerWaalsContact O-CB 3.27Å; R372-W376 WeakPolarHBondContact O-CB 3.42Å; R372-W376 PolarHBondContact O-N 2.97Å; I373-W376 PolarHBondContact O-N 3.2Å; W376-N380 PolarHBondContact NE1-ND2 3.45Å; W376-N380 WeakPolarHBondContact O-CB 3.34Å; W376-N380 PolarHBondContact O-N 3.35Å; W376-N380 VanDerWaalsContact O-N 3.08Å; W376-N380 PolarHBondContact O-ND2 2.99Å; W376-P405 PolarHBondContact NE1-O 3.17Å; W376-K407 HydrophobicContact CD2-CB 4.26Å; W376-K407 HydrophobicContact CD2-CG 4.14Å; W376-K407 HydrophobicContact CE3-CB 4.43Å; W376-K407 HydrophobicContact CE3-CD 4.34Å; W376-K407 HydrophobicContact CE3-CG 3.94Å; W376-K407 HydrophobicContact CH2-CB 3.95Å; W376-K407 HydrophobicContact CH2-CD 4.07Å; W376-K407 HydrophobicContact CH2-CG 4.07Å; W376-K407 HydrophobicContact CZ2-CB 3.71Å; W376-K407 HydrophobicContact CZ2-CG 4.23Å; W376-K407 HydrophobicContact CZ3-CB 4.3Å; W376-K407 HydrophobicContact CZ3-CD 3.88Å; W376-K407 HydrophobicContact CZ3-CG 3.92Å; W376-P408 HydrophobicContact CB-CG 4.29Å |
| 377 | Q | 89.8 | Confident | 77.9 | Confident | 95 Ų | 95 | 96.3 Ų | 96.3 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 174.8 | -75.6 | 175 | -55.4 | 0 | 0 | 112 | I373 K374 A375 N380 L381 | I373-Q377 HydrophobicContact CG2-CG 4.41Å; I373-Q377 VanDerWaalsContact O-CG 3.3Å; I373-Q377 WeakPolarHBondContact O-CG 3.47Å; I373-Q377 PolarHBondContact O-N 3.18Å; K374-Q377 WeakPolarHBondContact O-CB 3.43Å; K374-Q377 PolarHBondContact O-N 3.12Å; A375-Q377 VanDerWaalsContact C-N 3.31Å; A375-Q377 PolarHBondContact O-N 3Å; Q377-N380 PolarHBondContact O-N 3.27Å; Q377-L381 WeakPolarHBondContact O-CD1 3.33Å; Q377-L381 PolarHBondContact O-N 3.44Å |
| 378 | T | 88 | Confident | 75.5 | Confident | 70 Ų | 70 | 97.9 Ų | 97.9 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 178.4 | 38.7 | 0 | 0 | 0 | 0 | 112.7 | K374 A375 N380 L381 Q382 | K374-T378 PolarHBondContact O-N 3.22Å; K374-T378 PolarHBondContact O-OG1 3.39Å; A375-T378 WeakPolarHBondContact CA-OG1 3.3Å; A375-T378 PolarHBondContact O-N 3.25Å; A375-T378 PolarHBondContact O-OG1 2.97Å; T378-N380 PolarHBondContact O-N 3.18Å; T378-L381 PolarHBondContact O-N 2.88Å; T378-Q382 WeakPolarHBondContact O-CB 3.33Å; T378-Q382 VanDerWaalsContact O-CG 3.25Å; T378-Q382 WeakPolarHBondContact O-CG 3.3Å; T378-Q382 PolarHBondContact O-N 2.98Å; T378-Q382 PolarHBondContact O-OE1 3.13Å |
| 379 | E | 81.6 | Confident | 73.3 | Confident | 101 Ų | 101 | 100.3 Ų | 100.3 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 176.7 | -176.4 | -177.2 | -171.8 | 0 | 0 | 112.1 | A375 Q382 S383 | A375-E379 PolarHBondContact O-N 3.16Å; E379-Q382 PolarHBondContact O-N 3.21Å; E379-S383 PolarHBondContact O-OG 3.15Å |
| 380 | N | 77.2 | Confident | 70.9 | Confident | 15 Ų | 15 | 106.1 Ų | 106.1 | 8% | 0.08 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -74.5 | -23.5 | 179.3 | -79.9 | -98.4 | 0 | 0 | 0 | 113.8 | W376 Q377 T378 R404 | W376-N380 PolarHBondContact NE1-ND2 3.45Å; W376-N380 WeakPolarHBondContact O-CB 3.34Å; W376-N380 PolarHBondContact O-N 3.35Å; W376-N380 VanDerWaalsContact O-N 3.08Å; W376-N380 PolarHBondContact O-ND2 2.99Å; Q377-N380 PolarHBondContact O-N 3.27Å; T378-N380 PolarHBondContact O-N 3.18Å; N380-R404 PolarHBondContact O-NH2 2.85Å; N380-R404 WeakPolarHBondContact OD1-CB 3.45Å; N380-R404 VanDerWaalsContact OD1-CD 3.29Å; N380-R404 WeakPolarHBondContact OD1-CD 3.39Å; N380-R404 WeakPolarHBondContact OD1-CG 3.34Å |
| 381 | L | 71.2 | Confident | 68.7 | Low | 144 Ų | 144 | 110.8 Ų | 110.8 | 75% | 0.754 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -82.7 | -26.8 | 173.1 | -100 | 69.3 | 0 | 0 | 0 | 113 | Q377 T378 S383 | Q377-L381 WeakPolarHBondContact O-CD1 3.33Å; Q377-L381 PolarHBondContact O-N 3.44Å; T378-L381 PolarHBondContact O-N 2.88Å; L381-S383 PolarHBondContact O-N 3Å |
| 382 | Q | 61.5 | Low | 66.1 | Low | 158 Ų | 158 | 107.6 Ų | 107.6 | 74% | 0.738 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -77.3 | -2.9 | 176 | -72.9 | 164.1 | -13.8 | 0 | 0 | 112.9 | T378 E379 | T378-Q382 WeakPolarHBondContact O-CB 3.33Å; T378-Q382 VanDerWaalsContact O-CG 3.25Å; T378-Q382 WeakPolarHBondContact O-CG 3.3Å; T378-Q382 PolarHBondContact O-N 2.98Å; T378-Q382 PolarHBondContact O-OE1 3.13Å; E379-Q382 PolarHBondContact O-N 3.21Å |
| 383 | S | 58.1 | Low | 64.1 | Low | 68 Ų | 68 | 106.5 Ų | 106.5 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -102.5 | 74.1 | -176.1 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | E379 L381 R404 | E379-S383 PolarHBondContact O-OG 3.15Å; L381-S383 PolarHBondContact O-N 3Å; S383-R404 PolarHBondContact O-NH2 3.3Å; S383-R404 VanDerWaalsContact O-NH2 3.09Å |
| 384 | G | 45.9 | Very low | 61.7 | Low | 56 Ų | 56 | 112.8 Ų | 112.8 | 58% | 0.577 | 63% | 0.628 | S | S | * | * | trans | 109.6 | 150.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 385 | P | 44.4 | Very low | 59.2 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 75% | 0.747 | 63% | 0.634 | S | S | * | * | cis | -124.8 | 107.6 | 19.8 | 36.2 | -18.9 | 0 | 0 | 0 | 114.8 | L387 | P385-L387 PolarHBondContact O-N 2.85Å; P385-L387 VanDerWaalsContact O-N 3.12Å | ||
| 386 | D | 43.6 | Very low | 57.1 | Low | 176 Ų | 176 | 112.5 Ų | 112.5 | 94% | 0.941 | 65% | 0.653 | S | S | * | * | trans | -80.7 | 86.3 | 162.4 | -74.2 | -40.7 | 0 | 0 | 0 | 109.7 | ||||
| 387 | L | 47 | Very low | 54.7 | Low | 159 Ų | 159 | 114.6 Ų | 114.6 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | trans | -105.7 | 92.2 | 163.6 | -84.5 | 174.1 | 0 | 0 | 0 | 108.8 | P385 | P385-L387 PolarHBondContact O-N 2.85Å; P385-L387 VanDerWaalsContact O-N 3.12Å | ||
| 388 | N | 44.4 | Very low | 52.6 | Low | 138 Ų | 138 | 117.3 Ų | 117.3 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | trans | -155.1 | 158.2 | 156.7 | -136.2 | 38.5 | 0 | 0 | 0 | 112.6 | ||||
| 389 | D | 47.3 | Very low | 50.3 | Low | 119 Ų | 119 | 118 Ų | 118 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | trans | 60.7 | 81.2 | 158.4 | -55.4 | -38.9 | 0 | 0 | 0 | 119.8 | ||||
| 390 | N | 44 | Very low | 48.4 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | 31 | 140.2 | 121 | -68.4 | -59 | 0 | 0 | 0 | 121.1 | |||||
| 391 | Q | 48.8 | Very low | 47.2 | Very low | 199 Ų | 199 | 127 Ų | 127 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | trans | 78.2 | 133.3 | -179.2 | -48.8 | 172.4 | 48.3 | 0 | 0 | 113.2 | ||||
| 392 | G | 39.7 | Very low | 46.1 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | cis | 161.7 | 158.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 393 | V | 49.8 | Very low | 46.1 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | 68.1 | 95.2 | 166.2 | -167.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 394 | N | 40.9 | Very low | 46.4 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | 54.8 | 125.4 | 136.9 | -50.1 | -12.9 | 0 | 0 | 0 | 122.3 | ||||
| 395 | G | 38.9 | Very low | 47.5 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | 136.6 | 125.7 | 135.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 396 | S | 47.5 | Very low | 49.2 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | 54.7 | 125.3 | 171.5 | -74.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 397 | S | 39.9 | Very low | 51.1 | Low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | 54.2 | 89.7 | 72.9 | -156.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 398 | D | 44.7 | Very low | 52.9 | Low | 152 Ų | 152 | 122.2 Ų | 122.2 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | -168.1 | 157.7 | 99.5 | -84.9 | -7 | 0 | 0 | 0 | 110.9 | |||||
| 399 | G | 39.4 | Very low | 54.9 | Low | 84 Ų | 84 | 118.3 Ų | 118.3 | 87% | 0.866 | 71% | 0.706 | S | S | * | * | trans | -87.3 | 113.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 400 | N | 42.5 | Very low | 57 | Low | 138 Ų | 138 | 117.1 Ų | 117.1 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | -143.8 | 81.4 | 165.5 | -167.6 | 2.8 | 0 | 0 | 0 | 111.8 | S402 | N400-S402 PolarHBondContact O-N 2.97Š| ||
| 401 | L | 51.5 | Low | 59.3 | Low | 167 Ų | 167 | 111.7 Ų | 111.7 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | trans | -75.3 | 102.7 | 170.9 | -73.7 | 175.2 | 0 | 0 | 0 | 109.6 | K403 | L401-K403 PolarHBondContact O-N 3.31Š| ||
| 402 | S | 49.2 | Very low | 61.3 | Low | 108 Ų | 108 | 110.4 Ų | 110.4 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | trans | -52.7 | 91.4 | -178.6 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | N400 R404 | N400-S402 PolarHBondContact O-N 2.97Å; S402-R404 PolarHBondContact O-N 3.01Å; S402-R404 VanDerWaalsContact O-N 3.1Å | ||
| 403 | K | 60.5 | Low | 63.9 | Low | 198 Ų | 198 | 111.5 Ų | 111.5 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | trans | -63.1 | 109.8 | 168.2 | -73.2 | 178.1 | -178.2 | 175.4 | 0 | 108.4 | L401 | L401-K403 PolarHBondContact O-N 3.31Š| ||
| 404 | R | 63.8 | Low | 65.9 | Low | 153 Ų | 153 | 110.7 Ų | 110.7 | 58% | 0.577 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 138.2 | 171.2 | -79.9 | 174.2 | 168.7 | -164.5 | -3.5 | 109.7 | N380 S383 S402 | N380-R404 PolarHBondContact O-NH2 2.85Å; N380-R404 WeakPolarHBondContact OD1-CB 3.45Å; N380-R404 VanDerWaalsContact OD1-CD 3.29Å; N380-R404 WeakPolarHBondContact OD1-CD 3.39Å; N380-R404 WeakPolarHBondContact OD1-CG 3.34Å; S383-R404 PolarHBondContact O-NH2 3.3Å; S383-R404 VanDerWaalsContact O-NH2 3.09Å; S402-R404 PolarHBondContact O-N 3.01Å; S402-R404 VanDerWaalsContact O-N 3.1Å |
| 405 | P | 70.2 | Confident | 68.5 | Low | 50 Ų | 50 | 103.4 Ų | 103.4 | 33% | 0.325 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -59 | 143.8 | -176.2 | 22.7 | -32.7 | 0 | 0 | 0 | 110.9 | W376 | W376-P405 PolarHBondContact NE1-O 3.17Š|
| 406 | P | 79.4 | Confident | 71 | Confident | 121 Ų | 121 | 108.6 Ų | 108.6 | 79% | 0.786 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 140.5 | -178.9 | 26.7 | -34.1 | 0 | 0 | 0 | 111.4 | ||
| 407 | K | 83.8 | Confident | 73.1 | Confident | 123 Ų | 123 | 106.7 Ų | 106.7 | 54% | 0.535 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 131 | -179.1 | -174.5 | 175.6 | -179.9 | 176.8 | 0 | 111 | W376 G409 | W376-K407 HydrophobicContact CD2-CB 4.26Å; W376-K407 HydrophobicContact CD2-CG 4.14Å; W376-K407 HydrophobicContact CE3-CB 4.43Å; W376-K407 HydrophobicContact CE3-CD 4.34Å; W376-K407 HydrophobicContact CE3-CG 3.94Å; W376-K407 HydrophobicContact CH2-CB 3.95Å; W376-K407 HydrophobicContact CH2-CD 4.07Å; W376-K407 HydrophobicContact CH2-CG 4.07Å; W376-K407 HydrophobicContact CZ2-CB 3.71Å; W376-K407 HydrophobicContact CZ2-CG 4.23Å; W376-K407 HydrophobicContact CZ3-CB 4.3Å; W376-K407 HydrophobicContact CZ3-CD 3.88Å; W376-K407 HydrophobicContact CZ3-CG 3.92Å; K407-G409 PolarHBondContact O-N 3.38Å |
| 408 | P | 84.5 | Confident | 75.7 | Confident | 22 Ų | 22 | 104.4 Ų | 104.4 | 14% | 0.143 | 56% | 0.556 | C | S | . | * | P | Polyproline II helix | trans | -54.7 | 129.4 | 178 | -28.8 | 35.1 | 0 | 0 | 0 | 114 | H369 R372 I373 W376 | H369-P408 PolarHBondContact CE1-O 2.92Å; R372-P408 HydrophobicContact CB-CG 4.29Å; R372-P408 HydrophobicContact CG-CB 4.26Å; R372-P408 HydrophobicContact CG-CG 3.74Å; I373-P408 HydrophobicContact CG1-CB 4.3Å; W376-P408 HydrophobicContact CB-CG 4.29Å |
| 409 | G | 87.5 | Confident | 78.1 | Confident | 57 Ų | 57 | 102.2 Ų | 102.2 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 150.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H369 K407 | H369-G409 PolarHBondContact CE1-O 3.43Å; H369-G409 VanDerWaalsContact CE1-O 3.24Å; H369-G409 PolarHBondContact ND1-O 3.26Å; K407-G409 PolarHBondContact O-N 3.38Å |
| 410 | P | 90.6 | Very high | 80.7 | Confident | 93 Ų | 93 | 103.2 Ų | 103.2 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 150.6 | -178 | 30.4 | -35.7 | 0 | 0 | 0 | 113.3 | H369 | H369-P410 WeakPolarHBondContact CE1-CA 3.49Š|
| 411 | P | 91.5 | Very high | 83.3 | Confident | 33 Ų | 33 | 96.6 Ų | 96.6 | 21% | 0.214 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 140 | 176 | 28.3 | -34.9 | 0 | 0 | 0 | 111.1 | Y362 D365 K366 H369 | Y362-P411 HydrophobicContact CD2-CB 4.38Å; Y362-P411 HydrophobicContact CE2-CB 4.07Å; Y362-P411 HydrophobicContact CE2-CG 4.17Å; Y362-P411 WeakPolarHBondContact CE2-O 3.47Å; D365-P411 HydrophobicContact CB-CB 4.14Å; K366-P411 HydrophobicContact CB-CG 4.15Å; H369-P411 HydrophobicContact CB-CG 4.38Å |
| 412 | K | 92.5 | Very high | 85.4 | Confident | 171 Ų | 171 | 92.6 Ų | 92.6 | 74% | 0.743 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 134.5 | -178.4 | -62.5 | 175.9 | -177.3 | 174.4 | 0 | 109.7 | I414 | K412-I414 HydrophobicContact CB-CD1 4.22Å; K412-I414 HydrophobicContact CB-CG1 4.17Å; K412-I414 PolarHBondContact O-N 3.12Å |
| 413 | K | 94.1 | Very high | 87.7 | Confident | 89 Ų | 89 | 92.3 Ų | 92.3 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 118.4 | 167.2 | -73 | -175.6 | 176.1 | -179 | 0 | 108.8 | Y362 D462 G463 W464 | Y362-K413 HydrophobicContact CD2-CG 4.45Å; Y362-K413 HydrophobicContact CE1-CG 4.2Å; Y362-K413 HydrophobicContact CE2-CG 3.96Å; K413-D462 PolarHBondContact NZ-O 3.06Å; K413-G463 WeakPolarHBondContact CB-O 3.5Å; K413-W464 HydrophobicContact CB-CD2 4.12Å; K413-W464 HydrophobicContact CB-CE3 4.01Å; K413-W464 HydrophobicContact CB-CZ3 4.36Å; K413-W464 HydrophobicContact CD-CD2 4.26Å; K413-W464 HydrophobicContact CD-CG 4.39Å; K413-W464 HydrophobicContact CG-CD2 4.27Å; K413-W464 HydrophobicContact CG-CE3 4.45Å; K413-W464 HydrophobicContact CG-CZ2 4.31Å |
| 414 | I | 91.6 | Very high | 89.4 | Confident | 112 Ų | 112 | 83.8 Ų | 83.8 | 57% | 0.574 | 42% | 0.419 | S | S | * | . | trans | -142.1 | 117.5 | 177.5 | -57.7 | 177.8 | 0 | 0 | 0 | 108 | K412 R416 | K412-I414 HydrophobicContact CB-CD1 4.22Å; K412-I414 HydrophobicContact CB-CG1 4.17Å; K412-I414 PolarHBondContact O-N 3.12Å; I414-R416 PolarHBondContact O-N 3.16Å | ||
| 415 | Y | 94.5 | Very high | 91 | Very high | 10 Ų | 10 | 76.5 Ų | 76.5 | 4% | 0.039 | 39% | 0.392 | C | S | . | . | trans | -67.1 | 124 | 171.2 | -177.8 | -110.8 | 0 | 0 | 0 | 111 | S354 M355 I358 W417 C421 W460 W464 I465 | S354-Y415 PolarHBondContact OG-OH 2.76Å; S354-Y415 VanDerWaalsContact OG-OH 3.05Å; M355-Y415 HydrophobicContact CE-CD2 3.62Å; M355-Y415 HydrophobicContact CE-CE2 3.77Å; I358-Y415 HydrophobicContact CD1-CD2 3.75Å; I358-Y415 HydrophobicContact CD1-CE2 3.59Å; Y415-W417 HydrophobicContact CD1-CD2 4.33Å; Y415-W417 HydrophobicContact CE1-CD2 4.23Å; Y415-W417 HydrophobicContact CE1-CE3 4.16Å; Y415-C421 PolarHBondContact OH-SG 3.11Å; Y415-W460 HydrophobicContact CD1-CZ2 4.26Å; Y415-W460 AromaticContact CD1-NE1 3.2Å; Y415-W460 AromaticContact CD2-CD1 3.73Å; Y415-W460 AromaticContact CD2-NE1 3.47Å; Y415-W460 HydrophobicContact CE1-CZ2 4.09Å; Y415-W460 AromaticContact CE1-NE1 3.38Å; Y415-W460 AromaticContact CE2-NE1 3.65Å; Y415-W460 AromaticContact CG-CD1 3.72Å; Y415-W460 AromaticContact CG-NE1 3.24Å; Y415-W460 AromaticContact CZ-NE1 3.61Å; Y415-W464 WeakPolarHBondContact CB-O 3.42Å; Y415-W464 PolarHBondContact N-O 2.97Å; Y415-I465 HydrophobicContact CD1-CD1 4.4Å | ||
| 416 | R | 92 | Very high | 92.2 | Very high | 183 Ų | 183 | 75.8 Ų | 75.8 | 69% | 0.691 | 39% | 0.385 | S | S | * | . | trans | -88.8 | 115.4 | 173.7 | -64.8 | -178.3 | -177.4 | -95.6 | 4.4 | 108.7 | I358 I414 N418 | I358-R416 HydrophobicContact CD1-CB 4.43Å; I414-R416 PolarHBondContact O-N 3.16Å; R416-N418 PolarHBondContact O-N 3.34Å | ||
| 417 | W | 92.5 | Very high | 93 | Very high | 78 Ų | 78 | 74.8 Ų | 74.8 | 30% | 0.295 | 37% | 0.368 | S | S | . | . | trans | -64.7 | 121.1 | 178.8 | -67.3 | 93.5 | 0 | 0 | 0 | 111.3 | Y415 C421 R422 F425 W460 I465 L470 T473 | Y415-W417 HydrophobicContact CD1-CD2 4.33Å; Y415-W417 HydrophobicContact CE1-CD2 4.23Å; Y415-W417 HydrophobicContact CE1-CE3 4.16Å; W417-C421 HydrophobicContact CE3-CB 4.47Å; W417-R422 HydrophobicContact CE3-CB 4.28Å; W417-F425 HydrophobicContact CH2-CB 4.22Å; W417-F425 HydrophobicContact CH2-CD1 4.08Å; W417-F425 HydrophobicContact CH2-CD2 4.08Å; W417-F425 HydrophobicContact CH2-CE1 4.49Å; W417-F425 HydrophobicContact CH2-CE2 4.49Å; W417-F425 AromaticContact CH2-CG 3.85Å; W417-F425 HydrophobicContact CH2-CG 3.85Å; W417-F425 HydrophobicContact CZ3-CB 3.83Å; W417-F425 HydrophobicContact CZ3-CD1 4.29Å; W417-F425 AromaticContact CZ3-CG 3.96Å; W417-F425 HydrophobicContact CZ3-CG 3.96Å; W417-W460 HydrophobicContact CH2-CH2 4.23Å; W417-W460 HydrophobicContact CH2-CZ2 4.07Å; W417-W460 HydrophobicContact CZ3-CZ2 4.24Å; W417-I465 HydrophobicContact CH2-CD1 4.2Å; W417-I465 HydrophobicContact CZ2-CD1 3.79Å; W417-L470 HydrophobicContact CH2-CD2 4.07Å; W417-L470 HydrophobicContact CZ2-CD2 4.24Å; W417-T473 HydrophobicContact CD2-CG2 4.35Å; W417-T473 HydrophobicContact CH2-CG2 4Å; W417-T473 HydrophobicContact CZ2-CG2 3.71Å; W417-T473 VanDerWaalsContact CZ2-OG1 3.26Å; W417-T473 WeakPolarHBondContact CZ2-OG1 3.49Å; W417-T473 HydrophobicContact CZ3-CG2 4.43Å; W417-T473 PolarHBondContact NE1-OG1 2.87Å | ||
| 418 | N | 92.9 | Very high | 93.6 | Very high | 50 Ų | 50 | 69 Ų | 69 | 27% | 0.267 | 34% | 0.343 | S | S | . | . | trans | -84.6 | 164.9 | 162 | 75.2 | -2.7 | 0 | 0 | 0 | 110.6 | R416 E420 C421 R422 | R416-N418 PolarHBondContact O-N 3.34Å; N418-E420 VanDerWaalsContact C-N 3.28Å; N418-E420 PolarHBondContact O-N 2.95Å; N418-C421 WeakPolarHBondContact OD1-CB 3.42Å; N418-C421 PolarHBondContact OD1-N 3.02Å; N418-C421 PolarHBondContact OD1-SG 3.44Å; N418-R422 VanDerWaalsContact O-CB 3.29Å; N418-R422 WeakPolarHBondContact O-CB 3.35Å; N418-R422 PolarHBondContact O-N 3.36Å; N418-R422 VanDerWaalsContact O-N 3.11Å | ||
| 419 | T | 95.1 | Very high | 94.1 | Very high | 107 Ų | 107 | 67.9 Ų | 67.9 | 66% | 0.656 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.6 | -38 | -178.1 | -48.6 | 0 | 0 | 0 | 0 | 112.6 | Q423 | T419-Q423 WeakPolarHBondContact O-CB 3.38Å; T419-Q423 VanDerWaalsContact O-CG 3.31Å; T419-Q423 WeakPolarHBondContact O-CG 3.29Å; T419-Q423 PolarHBondContact O-N 2.94Å |
| 420 | E | 95.7 | Very high | 94.4 | Very high | 104 Ų | 104 | 69 Ų | 69 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.4 | -56.6 | -176.6 | 179 | 177.1 | -134.7 | 0 | 0 | 112.7 | A350 N418 R422 Q423 L424 | A350-E420 HydrophobicContact CB-CG 3.83Å; A350-E420 WeakPolarHBondContact CB-OE2 3.26Å; N418-E420 VanDerWaalsContact C-N 3.28Å; N418-E420 PolarHBondContact O-N 2.95Å; E420-R422 PolarHBondContact O-N 3.12Å; E420-Q423 PolarHBondContact O-N 3.23Å; E420-Q423 VanDerWaalsContact O-N 3.14Å; E420-L424 HydrophobicContact CG-CD1 3.86Å; E420-L424 WeakPolarHBondContact O-CB 3.46Å; E420-L424 WeakPolarHBondContact O-CG 3.27Å; E420-L424 PolarHBondContact O-N 3.3Å |
| 421 | C | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -33.5 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | L347 A350 Y415 W417 N418 F425 | L347-C421 HydrophobicContact CD1-CB 3.78Å; A350-C421 WeakPolarHBondContact CB-SG 3.5Å; Y415-C421 PolarHBondContact OH-SG 3.11Å; W417-C421 HydrophobicContact CE3-CB 4.47Å; N418-C421 WeakPolarHBondContact OD1-CB 3.42Å; N418-C421 PolarHBondContact OD1-N 3.02Å; N418-C421 PolarHBondContact OD1-SG 3.44Å; C421-F425 WeakPolarHBondContact O-CB 3.49Å; C421-F425 PolarHBondContact O-N 2.87Å |
| 422 | R | 95.8 | Very high | 94.7 | Very high | 82 Ų | 82 | 64.8 Ų | 64.8 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -52.6 | 174.2 | -177.4 | 58.4 | -172.2 | -92.4 | 11.3 | 111.2 | W417 N418 E420 L424 F425 D426 T473 | W417-R422 HydrophobicContact CE3-CB 4.28Å; N418-R422 VanDerWaalsContact O-CB 3.29Å; N418-R422 WeakPolarHBondContact O-CB 3.35Å; N418-R422 PolarHBondContact O-N 3.36Å; N418-R422 VanDerWaalsContact O-N 3.11Å; E420-R422 PolarHBondContact O-N 3.12Å; R422-L424 VanDerWaalsContact C-N 3.3Å; R422-L424 PolarHBondContact O-N 3.33Å; R422-F425 PolarHBondContact O-N 3.29Å; R422-D426 WeakPolarHBondContact CD-OD1 3.2Å; R422-D426 IonicContact CZ-OD1 3.12Å; R422-D426 IonicContact NE-OD1 3.61Å; R422-D426 PolarHBondContact NE-OD1 3.25Å; R422-D426 IonicContact NE-OD2 2.68Å; R422-D426 PolarHBondContact NE-OD2 3.01Å; R422-D426 VanDerWaalsContact NE-OD2 3.16Å; R422-D426 IonicContact NH2-OD1 2.78Å; R422-D426 VanDerWaalsContact O-CB 3.31Å; R422-D426 WeakPolarHBondContact O-CB 3.39Å; R422-D426 PolarHBondContact O-N 3.15Å; R422-T473 PolarHBondContact NH2-O 2.93Å; R422-T473 VanDerWaalsContact NH2-O 3.12Å |
| 423 | Q | 96.3 | Very high | 94.7 | Very high | 102 Ų | 102 | 56.7 Ų | 56.7 | 48% | 0.477 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.9 | -36.5 | 177.5 | -74.1 | -179.8 | 17.1 | 0 | 0 | 113.2 | T419 E420 K427 | T419-Q423 WeakPolarHBondContact O-CB 3.38Å; T419-Q423 VanDerWaalsContact O-CG 3.31Å; T419-Q423 WeakPolarHBondContact O-CG 3.29Å; T419-Q423 PolarHBondContact O-N 2.94Å; E420-Q423 PolarHBondContact O-N 3.23Å; E420-Q423 VanDerWaalsContact O-N 3.14Å; Q423-K427 WeakPolarHBondContact O-CB 3.44Å; Q423-K427 WeakPolarHBondContact O-CD 3.39Å; Q423-K427 WeakPolarHBondContact O-CG 3.25Å; Q423-K427 PolarHBondContact O-N 3.29Å |
| 424 | L | 96.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 56.2 Ų | 56.2 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.6 | -46.3 | 177 | -71.2 | 167.5 | 0 | 0 | 0 | 111.4 | A346 L347 A350 E420 R422 D426 K427 I428 | A346-L424 HydrophobicContact CB-CD1 4.24Å; A346-L424 HydrophobicContact CB-CD2 4.05Å; L347-L424 HydrophobicContact CB-CB 4.19Å; L347-L424 HydrophobicContact CD1-CB 4.13Å; A350-L424 HydrophobicContact CB-CD1 3.91Å; E420-L424 HydrophobicContact CG-CD1 3.86Å; E420-L424 WeakPolarHBondContact O-CB 3.46Å; E420-L424 WeakPolarHBondContact O-CG 3.27Å; E420-L424 PolarHBondContact O-N 3.3Å; R422-L424 VanDerWaalsContact C-N 3.3Å; R422-L424 PolarHBondContact O-N 3.33Å; L424-D426 PolarHBondContact O-N 3.48Å; L424-K427 PolarHBondContact O-N 2.86Å; L424-I428 WeakPolarHBondContact O-CD1 3.29Å; L424-I428 VanDerWaalsContact O-CG1 3.31Å; L424-I428 WeakPolarHBondContact O-CG1 3.39Å; L424-I428 PolarHBondContact O-N 2.91Å |
| 425 | F | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.9 | -47.8 | 172.3 | 174.1 | -97.6 | 0 | 0 | 0 | 111.6 | L347 W417 C421 R422 K427 I428 I429 L456 L470 T473 | L347-F425 HydrophobicContact CD2-CB 4.48Å; W417-F425 HydrophobicContact CH2-CB 4.22Å; W417-F425 HydrophobicContact CH2-CD1 4.08Å; W417-F425 HydrophobicContact CH2-CD2 4.08Å; W417-F425 HydrophobicContact CH2-CE1 4.49Å; W417-F425 HydrophobicContact CH2-CE2 4.49Å; W417-F425 AromaticContact CH2-CG 3.85Å; W417-F425 HydrophobicContact CH2-CG 3.85Å; W417-F425 HydrophobicContact CZ3-CB 3.83Å; W417-F425 HydrophobicContact CZ3-CD1 4.29Å; W417-F425 AromaticContact CZ3-CG 3.96Å; W417-F425 HydrophobicContact CZ3-CG 3.96Å; C421-F425 WeakPolarHBondContact O-CB 3.49Å; C421-F425 PolarHBondContact O-N 2.87Å; R422-F425 PolarHBondContact O-N 3.29Å; F425-K427 VanDerWaalsContact C-N 3.31Å; F425-K427 PolarHBondContact O-N 3.46Å; F425-I428 WeakPolarHBondContact O-CB 3.22Å; F425-I428 PolarHBondContact O-N 2.84Å; F425-I429 HydrophobicContact CD1-CG1 4.1Å; F425-I429 HydrophobicContact CD2-CG1 4.34Å; F425-I429 HydrophobicContact CE1-CD1 4.22Å; F425-I429 HydrophobicContact CE1-CG1 3.66Å; F425-I429 HydrophobicContact CE2-CD1 3.78Å; F425-I429 HydrophobicContact CE2-CG1 3.92Å; F425-I429 HydrophobicContact CG-CG1 4.42Å; F425-I429 HydrophobicContact CZ-CD1 3.6Å; F425-I429 HydrophobicContact CZ-CG1 3.57Å; F425-I429 WeakPolarHBondContact O-CG1 3.11Å; F425-I429 PolarHBondContact O-N 3.49Å; F425-L456 HydrophobicContact CD2-CD1 4.24Å; F425-L456 HydrophobicContact CE2-CD1 3.93Å; F425-L470 HydrophobicContact CD2-CD2 4.26Å; F425-L470 HydrophobicContact CE2-CB 4.46Å; F425-L470 HydrophobicContact CE2-CD2 3.69Å; F425-L470 HydrophobicContact CZ-CB 4.45Å; F425-L470 HydrophobicContact CZ-CD2 4.24Å; F425-L470 WeakPolarHBondContact CZ-O 3.17Å; F425-T473 HydrophobicContact CD1-CG2 3.72Å; F425-T473 HydrophobicContact CE1-CG2 3.54Å; F425-T473 HydrophobicContact CZ-CG2 4.49Å |
| 426 | D | 96.1 | Very high | 94.4 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -40.8 | 179.3 | -67.2 | -14.2 | 0 | 0 | 0 | 111.4 | R422 L424 I429 L430 I477 | R422-D426 WeakPolarHBondContact CD-OD1 3.2Å; R422-D426 IonicContact CZ-OD1 3.12Å; R422-D426 IonicContact NE-OD1 3.61Å; R422-D426 PolarHBondContact NE-OD1 3.25Å; R422-D426 IonicContact NE-OD2 2.68Å; R422-D426 PolarHBondContact NE-OD2 3.01Å; R422-D426 VanDerWaalsContact NE-OD2 3.16Å; R422-D426 IonicContact NH2-OD1 2.78Å; R422-D426 VanDerWaalsContact O-CB 3.31Å; R422-D426 WeakPolarHBondContact O-CB 3.39Å; R422-D426 PolarHBondContact O-N 3.15Å; L424-D426 PolarHBondContact O-N 3.48Å; D426-I429 PolarHBondContact O-N 2.88Å; D426-L430 WeakPolarHBondContact O-CG 3.33Å; D426-L430 PolarHBondContact O-N 3.48Å; D426-I477 HydrophobicContact CB-CD1 3.43Å; D426-I477 VanDerWaalsContact CB-CD1 3.43Å; D426-I477 VanDerWaalsContact CG-CD1 3.42Å; D426-I477 VanDerWaalsContact OD1-CD1 3.27Å; D426-I477 WeakPolarHBondContact OD1-CD1 3.43Å |
| 427 | K | 95.8 | Very high | 94.2 | Very high | 100 Ų | 100 | 49.3 Ų | 49.3 | 44% | 0.435 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64 | -39.4 | 171.8 | -72.3 | 162.7 | -171.1 | 168.2 | 0 | 112.8 | L343 Q423 L424 F425 C431 | L343-K427 HydrophobicContact CD1-CB 4.25Å; Q423-K427 WeakPolarHBondContact O-CB 3.44Å; Q423-K427 WeakPolarHBondContact O-CD 3.39Å; Q423-K427 WeakPolarHBondContact O-CG 3.25Å; Q423-K427 PolarHBondContact O-N 3.29Å; L424-K427 PolarHBondContact O-N 2.86Å; F425-K427 VanDerWaalsContact C-N 3.31Å; F425-K427 PolarHBondContact O-N 3.46Å; K427-C431 VanDerWaalsContact O-CB 3.23Å; K427-C431 WeakPolarHBondContact O-CB 3.13Å; K427-C431 PolarHBondContact O-N 2.88Å |
| 428 | I | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 176.4 | -70.5 | 156.4 | 0 | 0 | 0 | 110.8 | M340 L343 L344 L347 L424 F425 C431 R432 L452 L456 | M340-I428 HydrophobicContact CG-CG2 4.25Å; M340-I428 HydrophobicContact SD-CG2 4.24Å; L343-I428 HydrophobicContact CB-CD1 4.15Å; L343-I428 HydrophobicContact CB-CG1 3.53Å; L343-I428 HydrophobicContact CD1-CG1 4.29Å; L344-I428 HydrophobicContact CD2-CD1 3.98Å; L344-I428 HydrophobicContact CD2-CG1 4.44Å; L344-I428 HydrophobicContact CD2-CG2 4.28Å; L347-I428 HydrophobicContact CB-CD1 3.96Å; L347-I428 HydrophobicContact CD2-CD1 3.5Å; L347-I428 VanDerWaalsContact CD2-CD1 3.5Å; L347-I428 HydrophobicContact CG-CD1 4.34Å; L424-I428 WeakPolarHBondContact O-CD1 3.29Å; L424-I428 VanDerWaalsContact O-CG1 3.31Å; L424-I428 WeakPolarHBondContact O-CG1 3.39Å; L424-I428 PolarHBondContact O-N 2.91Å; F425-I428 WeakPolarHBondContact O-CB 3.22Å; F425-I428 PolarHBondContact O-N 2.84Å; I428-C431 PolarHBondContact O-N 3.23Å; I428-R432 WeakPolarHBondContact O-CB 3.48Å; I428-R432 PolarHBondContact O-N 2.99Å; I428-L452 HydrophobicContact CG2-CD2 3.73Å; I428-L456 HydrophobicContact CD1-CD2 4.48Å; I428-L456 HydrophobicContact CG2-CD2 4.37Å |
| 429 | I | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 177.3 | -63.6 | -62.7 | 0 | 0 | 0 | 110.5 | F425 D426 R432 L433 L449 F453 I477 | F425-I429 HydrophobicContact CD1-CG1 4.1Å; F425-I429 HydrophobicContact CD2-CG1 4.34Å; F425-I429 HydrophobicContact CE1-CD1 4.22Å; F425-I429 HydrophobicContact CE1-CG1 3.66Å; F425-I429 HydrophobicContact CE2-CD1 3.78Å; F425-I429 HydrophobicContact CE2-CG1 3.92Å; F425-I429 HydrophobicContact CG-CG1 4.42Å; F425-I429 HydrophobicContact CZ-CD1 3.6Å; F425-I429 HydrophobicContact CZ-CG1 3.57Å; F425-I429 WeakPolarHBondContact O-CG1 3.11Å; F425-I429 PolarHBondContact O-N 3.49Å; D426-I429 PolarHBondContact O-N 2.88Å; I429-R432 PolarHBondContact O-N 3.48Å; I429-L433 HydrophobicContact CG2-CD1 3.94Å; I429-L433 WeakPolarHBondContact O-CG 3.41Å; I429-L433 PolarHBondContact O-N 3.47Å; I429-L449 HydrophobicContact CD1-CD1 3.77Å; I429-L449 HydrophobicContact CD1-CD2 4.46Å; I429-L449 HydrophobicContact CD1-CG 4.39Å; I429-L449 HydrophobicContact CG2-CD1 4.21Å; I429-L449 HydrophobicContact CG2-CD2 3.96Å; I429-F453 HydrophobicContact CD1-CE1 3.81Å; I429-I477 HydrophobicContact CB-CG2 4.41Å; I429-I477 HydrophobicContact CG2-CB 4.08Å; I429-I477 HydrophobicContact CG2-CG2 3.72Å |
| 430 | L | 94.4 | Very high | 93 | Very high | 79 Ų | 79 | 51 Ų | 51 | 41% | 0.414 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.7 | -50.8 | 173.8 | -76.2 | 170.1 | 0 | 0 | 0 | 111.8 | D426 R432 L433 E434 I477 | D426-L430 WeakPolarHBondContact O-CG 3.33Å; D426-L430 PolarHBondContact O-N 3.48Å; L430-R432 VanDerWaalsContact C-N 3.27Å; L430-R432 PolarHBondContact O-N 3.38Å; L430-L433 PolarHBondContact O-N 2.83Å; L430-E434 WeakPolarHBondContact O-CG 3.34Å; L430-E434 PolarHBondContact O-N 3.2Å; L430-I477 HydrophobicContact CD2-CG2 3.57Å; L430-I477 HydrophobicContact CG-CG2 3.7Å |
| 431 | C | 93.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.7 | -39.2 | 178.9 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | Q336 L343 K427 I428 E434 S435 | Q336-C431 PolarHBondContact NE2-O 2.93Å; L343-C431 HydrophobicContact CD1-CB 4.26Å; K427-C431 VanDerWaalsContact O-CB 3.23Å; K427-C431 WeakPolarHBondContact O-CB 3.13Å; K427-C431 PolarHBondContact O-N 2.88Å; I428-C431 PolarHBondContact O-N 3.23Å; C431-E434 WeakPolarHBondContact O-CB 3.46Å; C431-S435 PolarHBondContact O-N 3.36Å; C431-S435 VanDerWaalsContact O-N 3.1Å; C431-S435 PolarHBondContact O-OG 3.2Å |
| 432 | R | 94 | Very high | 92.1 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 13% | 0.125 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.5 | -34.8 | 175.8 | -166.8 | 68.5 | -179.1 | -173.8 | 4.7 | 112.7 | I428 I429 L430 S435 Y436 Y448 L449 L452 | I428-R432 WeakPolarHBondContact O-CB 3.48Å; I428-R432 PolarHBondContact O-N 2.99Å; I429-R432 PolarHBondContact O-N 3.48Å; L430-R432 VanDerWaalsContact C-N 3.27Å; L430-R432 PolarHBondContact O-N 3.38Å; R432-S435 WeakPolarHBondContact O-CB 3.39Å; R432-S435 PolarHBondContact O-N 2.66Å; R432-S435 PolarHBondContact O-OG 3.14Å; R432-Y436 PolarHBondContact O-N 3.03Å; R432-Y448 HydrophobicContact CG-CD1 4.43Å; R432-Y448 HydrophobicContact CG-CE1 3.98Å; R432-Y448 PolarHBondContact NH2-OH 3.24Å; R432-Y448 WeakPolarHBondContact O-CE1 3.37Å; R432-L449 HydrophobicContact CB-CD1 4.06Å; R432-L449 HydrophobicContact CG-CD1 4Å; R432-L452 HydrophobicContact CB-CD2 4Å; R432-L452 HydrophobicContact CG-CB 4.48Å; R432-L452 HydrophobicContact CG-CD2 3.88Å |
| 433 | L | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.8 | -36.3 | 176.9 | -69.4 | 169 | 0 | 0 | 0 | 112 | I429 L430 S435 Y436 K437 L449 I477 F478 F481 | I429-L433 HydrophobicContact CG2-CD1 3.94Å; I429-L433 WeakPolarHBondContact O-CG 3.41Å; I429-L433 PolarHBondContact O-N 3.47Å; L430-L433 PolarHBondContact O-N 2.83Å; L433-S435 VanDerWaalsContact C-N 3.25Å; L433-S435 PolarHBondContact O-N 3.19Å; L433-Y436 WeakPolarHBondContact O-CB 3.45Å; L433-Y436 PolarHBondContact O-N 2.86Å; L433-Y436 VanDerWaalsContact O-N 3.15Å; L433-K437 PolarHBondContact O-N 3.27Å; L433-L449 HydrophobicContact CD1-CD2 4.26Å; L433-L449 HydrophobicContact CD2-CB 4.39Å; L433-L449 HydrophobicContact CD2-CD2 4.23Å; L433-L449 HydrophobicContact CG-CD1 4.45Å; L433-L449 HydrophobicContact CG-CD2 4.39Å; L433-I477 HydrophobicContact CD1-CG2 4.48Å; L433-F478 HydrophobicContact CD1-CD2 4.36Å; L433-F478 HydrophobicContact CD2-CD2 3.96Å; L433-F478 HydrophobicContact CD2-CE2 4.32Å; L433-F481 HydrophobicContact CB-CD1 3.81Å; L433-F481 HydrophobicContact CB-CD2 3.72Å; L433-F481 HydrophobicContact CB-CE1 3.82Å; L433-F481 HydrophobicContact CB-CE2 3.73Å; L433-F481 HydrophobicContact CB-CG 3.76Å; L433-F481 HydrophobicContact CB-CZ 3.79Å; L433-F481 HydrophobicContact CD1-CB 3.87Å; L433-F481 HydrophobicContact CD1-CD1 4.27Å; L433-F481 HydrophobicContact CD1-CD2 4.48Å; L433-F481 HydrophobicContact CD1-CG 3.96Å; L433-F481 HydrophobicContact CD2-CD1 4.24Å; L433-F481 HydrophobicContact CG-CD1 4.33Å; L433-F481 HydrophobicContact CG-CG 4.35Å; L433-F481 WeakPolarHBondContact O-CZ 3.37Å |
| 434 | E | 91.8 | Very high | 91.3 | Very high | 80 Ų | 80 | 53 Ų | 53 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.1 | -43 | 165.8 | -69.5 | 175.4 | 161.7 | 0 | 0 | 111.2 | R339 L430 C431 Y436 K437 L438 | R339-E434 IonicContact CZ-OE2 3.83Å; R339-E434 IonicContact NE-OE2 2.85Å; R339-E434 PolarHBondContact NE-OE2 2.78Å; R339-E434 IonicContact NH2-OE1 2.9Å; R339-E434 PolarHBondContact NH2-OE1 2.89Å; R339-E434 IonicContact NH2-OE2 3.92Å; R339-E434 PolarHBondContact NH2-OE2 3.32Å; L430-E434 WeakPolarHBondContact O-CG 3.34Å; L430-E434 PolarHBondContact O-N 3.2Å; C431-E434 WeakPolarHBondContact O-CB 3.46Å; E434-Y436 VanDerWaalsContact C-N 3.32Å; E434-Y436 PolarHBondContact O-N 2.95Å; E434-K437 PolarHBondContact O-N 3.14Å; E434-L438 VanDerWaalsContact O-CB 3.28Å; E434-L438 WeakPolarHBondContact O-CB 3.37Å; E434-L438 PolarHBondContact O-N 2.85Å |
| 435 | S | 91.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.9 | -45.8 | 175.7 | -43 | 0 | 0 | 0 | 0 | 112.5 | Q336 C431 R432 L433 K437 L438 L439 | Q336-S435 VanDerWaalsContact CG-CB 3.48Å; Q336-S435 WeakPolarHBondContact CG-OG 3.48Å; Q336-S435 PolarHBondContact NE2-OG 3.3Å; C431-S435 PolarHBondContact O-N 3.36Å; C431-S435 VanDerWaalsContact O-N 3.1Å; C431-S435 PolarHBondContact O-OG 3.2Å; R432-S435 WeakPolarHBondContact O-CB 3.39Å; R432-S435 PolarHBondContact O-N 2.66Å; R432-S435 PolarHBondContact O-OG 3.14Å; L433-S435 VanDerWaalsContact C-N 3.25Å; L433-S435 PolarHBondContact O-N 3.19Å; S435-K437 VanDerWaalsContact C-N 3.34Å; S435-K437 PolarHBondContact O-N 3.05Å; S435-L438 PolarHBondContact O-N 3.42Å; S435-L439 VanDerWaalsContact O-CB 3.24Å; S435-L439 WeakPolarHBondContact O-CB 3.44Å; S435-L439 VanDerWaalsContact O-CG 3.29Å; S435-L439 WeakPolarHBondContact O-CG 3.48Å; S435-L439 PolarHBondContact O-N 2.98Å |
| 436 | Y | 91 | Very high | 90.9 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | -177.1 | 176.9 | -93.1 | 0 | 0 | 0 | 111.6 | R432 L433 E434 N440 I441 G443 A445 Y448 L487 | R432-Y436 PolarHBondContact O-N 3.03Å; L433-Y436 WeakPolarHBondContact O-CB 3.45Å; L433-Y436 PolarHBondContact O-N 2.86Å; L433-Y436 VanDerWaalsContact O-N 3.15Å; E434-Y436 VanDerWaalsContact C-N 3.32Å; E434-Y436 PolarHBondContact O-N 2.95Å; Y436-N440 PolarHBondContact O-N 2.65Å; Y436-I441 HydrophobicContact CD2-CB 3.79Å; Y436-I441 HydrophobicContact CD2-CG2 4.24Å; Y436-I441 HydrophobicContact CE2-CB 3.97Å; Y436-I441 HydrophobicContact CE2-CG2 4.23Å; Y436-I441 WeakPolarHBondContact CE2-O 3.45Å; Y436-I441 PolarHBondContact O-N 2.93Å; Y436-I441 PolarHBondContact OH-O 3.1Å; Y436-G443 PolarHBondContact OH-O 3Å; Y436-G443 VanDerWaalsContact OH-O 3.09Å; Y436-A445 HydrophobicContact CD1-CB 3.92Å; Y436-A445 HydrophobicContact CD2-CB 4.24Å; Y436-A445 HydrophobicContact CE1-CB 3.74Å; Y436-A445 HydrophobicContact CE2-CB 4.07Å; Y436-A445 HydrophobicContact CG-CB 4.18Å; Y436-Y448 AromaticContact CD2-CD1 3.94Å; Y436-Y448 HydrophobicContact CD2-CD1 3.94Å; Y436-Y448 AromaticContact CD2-CG 3.9Å; Y436-Y448 HydrophobicContact CD2-CG 3.9Å; Y436-Y448 HydrophobicContact CG-CD1 4.36Å; Y436-L487 HydrophobicContact CD1-CD1 4.17Å; Y436-L487 HydrophobicContact CE1-CD1 3.98Å; Y436-L487 HydrophobicContact CE1-CD2 4.38Å |
| 437 | K | 87.6 | Confident | 90.7 | Very high | 130 Ų | 130 | 58.8 Ų | 58.8 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -69.3 | -47.4 | 176.9 | -171.3 | 178.2 | -175.7 | -178.3 | 0 | 111.8 | L433 E434 S435 L439 N440 F481 N485 | L433-K437 PolarHBondContact O-N 3.27Å; E434-K437 PolarHBondContact O-N 3.14Å; S435-K437 VanDerWaalsContact C-N 3.34Å; S435-K437 PolarHBondContact O-N 3.05Å; K437-L439 PolarHBondContact O-N 2.96Å; K437-N440 PolarHBondContact O-N 3.09Å; K437-F481 HydrophobicContact CB-CZ 4.31Å; K437-N485 VanDerWaalsContact CD-OD1 3.26Å; K437-N485 WeakPolarHBondContact CD-OD1 3.23Å; K437-N485 WeakPolarHBondContact CE-OD1 3.31Å; K437-N485 PolarHBondContact NZ-OD1 2.75Å |
| 438 | L | 85.9 | Confident | 90.6 | Very high | 112 Ų | 112 | 55 Ų | 55 | 59% | 0.586 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.9 | -33.8 | -175.1 | -176.5 | 61.9 | 0 | 0 | 0 | 113.4 | E434 S435 | E434-L438 VanDerWaalsContact O-CB 3.28Å; E434-L438 WeakPolarHBondContact O-CB 3.37Å; E434-L438 PolarHBondContact O-N 2.85Å; S435-L438 PolarHBondContact O-N 3.42Å |
| 439 | L | 84.7 | Confident | 90.5 | Very high | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -2.7 | 178.2 | -61.4 | 170.7 | 0 | 0 | 0 | 113.1 | K332 E333 S435 K437 I441 | K332-L439 HydrophobicContact CB-CD2 3.5Å; E333-L439 HydrophobicContact CB-CD1 4.25Å; E333-L439 HydrophobicContact CB-CD2 4.48Å; E333-L439 HydrophobicContact CG-CD1 4.04Å; S435-L439 VanDerWaalsContact O-CB 3.24Å; S435-L439 WeakPolarHBondContact O-CB 3.44Å; S435-L439 VanDerWaalsContact O-CG 3.29Å; S435-L439 WeakPolarHBondContact O-CG 3.48Å; S435-L439 PolarHBondContact O-N 2.98Å; K437-L439 PolarHBondContact O-N 2.96Å; L439-I441 HydrophobicContact CB-CD1 4.01Å; L439-I441 HydrophobicContact CB-CG1 3.68Å; L439-I441 HydrophobicContact CD1-CD1 4.15Å; L439-I441 PolarHBondContact O-N 2.93Å |
| 440 | N | 85.2 | Confident | 90.4 | Very high | 141 Ų | 141 | 59.5 Ų | 59.5 | 75% | 0.754 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 56.2 | -176.4 | -167.2 | 12.9 | 0 | 0 | 0 | 112.5 | Y436 K437 | Y436-N440 PolarHBondContact O-N 2.65Å; K437-N440 PolarHBondContact O-N 3.09Å |
| 441 | I | 87.3 | Confident | 90.3 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 18% | 0.179 | 30% | 0.304 | C | S | . | . | trans | -77.7 | 129.6 | -172.9 | -56 | -174.2 | 0 | 0 | 0 | 109.9 | Y436 L439 Y448 | Y436-I441 HydrophobicContact CD2-CB 3.79Å; Y436-I441 HydrophobicContact CD2-CG2 4.24Å; Y436-I441 HydrophobicContact CE2-CB 3.97Å; Y436-I441 HydrophobicContact CE2-CG2 4.23Å; Y436-I441 WeakPolarHBondContact CE2-O 3.45Å; Y436-I441 PolarHBondContact O-N 2.93Å; Y436-I441 PolarHBondContact OH-O 3.1Å; L439-I441 HydrophobicContact CB-CD1 4.01Å; L439-I441 HydrophobicContact CB-CG1 3.68Å; L439-I441 HydrophobicContact CD1-CD1 4.15Å; L439-I441 PolarHBondContact O-N 2.93Å; I441-Y448 HydrophobicContact CD1-CD2 3.74Å; I441-Y448 HydrophobicContact CD1-CE1 4.09Å; I441-Y448 HydrophobicContact CD1-CE2 3.21Å; I441-Y448 HydrophobicContact CD1-CG 4.37Å; I441-Y448 HydrophobicContact CG2-CD2 4.27Å | ||
| 442 | K | 84.8 | Confident | 90.3 | Very high | 203 Ų | 203 | 62.5 Ų | 62.5 | 88% | 0.883 | 30% | 0.303 | S | S | * | . | trans | -81.9 | 128.2 | 173.9 | -60.8 | -171 | 177.6 | -168.1 | 0 | 110.4 | ||||
| 443 | G | 85.8 | Confident | 90.4 | Very high | 55 Ų | 55 | 61 Ų | 61 | 57% | 0.567 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 148.5 | -155.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y436 | Y436-G443 PolarHBondContact OH-O 3Å; Y436-G443 VanDerWaalsContact OH-O 3.09Å |
| 444 | S | 90.1 | Very high | 90.5 | Very high | 37 Ų | 37 | 64.4 Ų | 64.4 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | trans | -93.7 | 133.5 | 162.4 | -178.6 | 0 | 0 | 0 | 0 | 110 | E446 E447 Y448 | S444-E446 PolarHBondContact O-N 2.91Å; S444-E446 WeakPolarHBondContact OG-CB 3.16Å; S444-E446 PolarHBondContact OG-N 3.39Å; S444-E447 PolarHBondContact O-N 2.97Å; S444-Y448 PolarHBondContact O-N 2.96Å; S444-Y448 VanDerWaalsContact O-N 3.11Å | ||
| 445 | A | 91.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 5% | 0.05 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.9 | -31.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y436 Y448 L449 F478 | Y436-A445 HydrophobicContact CD1-CB 3.92Å; Y436-A445 HydrophobicContact CD2-CB 4.24Å; Y436-A445 HydrophobicContact CE1-CB 3.74Å; Y436-A445 HydrophobicContact CE2-CB 4.07Å; Y436-A445 HydrophobicContact CG-CB 4.18Å; A445-Y448 PolarHBondContact O-N 3.39Å; A445-L449 WeakPolarHBondContact O-CB 3.32Å; A445-L449 PolarHBondContact O-N 3Å; A445-F478 HydrophobicContact CB-CE2 3.89Å; A445-F478 HydrophobicContact CB-CZ 4.45Å |
| 446 | E | 92.9 | Very high | 90.7 | Very high | 67 Ų | 67 | 63.1 Ų | 63.1 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 176.8 | -161.7 | -163.4 | 165.1 | 0 | 0 | 111.8 | S444 L449 R450 W471 F478 | S444-E446 PolarHBondContact O-N 2.91Å; S444-E446 WeakPolarHBondContact OG-CB 3.16Å; S444-E446 PolarHBondContact OG-N 3.39Å; E446-L449 PolarHBondContact O-N 3.06Å; E446-R450 VanDerWaalsContact CD-NH1 3.28Å; E446-R450 WeakPolarHBondContact O-CG 3.41Å; E446-R450 PolarHBondContact O-N 3.23Å; E446-R450 IonicContact OE1-CZ 2.71Å; E446-R450 IonicContact OE1-NH1 3.75Å; E446-R450 PolarHBondContact OE1-NH1 3.39Å; E446-R450 IonicContact OE1-NH2 3.93Å; E446-R450 PolarHBondContact OE1-NH2 2.99Å; E446-W471 HydrophobicContact CB-CH2 4.48Å; E446-W471 HydrophobicContact CG-CH2 3.51Å; E446-W471 HydrophobicContact CG-CZ2 3.95Å; E446-W471 HydrophobicContact CG-CZ3 4.26Å; E446-F478 HydrophobicContact CB-CE1 4.32Å; E446-F478 HydrophobicContact CB-CE2 4.17Å; E446-F478 HydrophobicContact CB-CZ 3.65Å; E446-F478 HydrophobicContact CG-CE1 4.26Å; E446-F478 HydrophobicContact CG-CZ 4.07Å |
| 447 | E | 92.6 | Very high | 90.9 | Very high | 103 Ų | 103 | 64 Ų | 64 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.2 | -36.6 | 179.7 | -162.1 | -151.2 | 119.2 | 0 | 0 | 111.4 | S444 L449 R451 | S444-E447 PolarHBondContact O-N 2.97Å; E447-L449 VanDerWaalsContact C-N 3.3Å; E447-L449 PolarHBondContact O-N 3.43Å; E447-R451 WeakPolarHBondContact O-CB 3.37Å; E447-R451 PolarHBondContact O-N 2.89Å; E447-R451 VanDerWaalsContact O-N 3.1Å; E447-R451 PolarHBondContact O-NH1 2.98Å; E447-R451 IonicContact OE1-CZ 2.94Å; E447-R451 IonicContact OE1-NH1 2.78Å; E447-R451 PolarHBondContact OE1-NH1 3.5Å; E447-R451 IonicContact OE1-NH2 2.92Å; E447-R451 PolarHBondContact OE1-NH2 3Å |
| 448 | Y | 92.4 | Very high | 91.2 | Very high | 20 Ų | 20 | 63.5 Ų | 63.5 | 8% | 0.078 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 172.8 | -177.6 | -100 | 0 | 0 | 0 | 112.2 | R432 Y436 I441 S444 A445 | R432-Y448 HydrophobicContact CG-CD1 4.43Å; R432-Y448 HydrophobicContact CG-CE1 3.98Å; R432-Y448 PolarHBondContact NH2-OH 3.24Å; R432-Y448 WeakPolarHBondContact O-CE1 3.37Å; Y436-Y448 AromaticContact CD2-CD1 3.94Å; Y436-Y448 HydrophobicContact CD2-CD1 3.94Å; Y436-Y448 AromaticContact CD2-CG 3.9Å; Y436-Y448 HydrophobicContact CD2-CG 3.9Å; Y436-Y448 HydrophobicContact CG-CD1 4.36Å; I441-Y448 HydrophobicContact CD1-CD2 3.74Å; I441-Y448 HydrophobicContact CD1-CE1 4.09Å; I441-Y448 HydrophobicContact CD1-CE2 3.21Å; I441-Y448 HydrophobicContact CD1-CG 4.37Å; I441-Y448 HydrophobicContact CG2-CD2 4.27Å; S444-Y448 PolarHBondContact O-N 2.96Å; S444-Y448 VanDerWaalsContact O-N 3.11Å; A445-Y448 PolarHBondContact O-N 3.39Å |
| 449 | L | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.6 | -48.1 | 175.3 | -174.3 | 59.4 | 0 | 0 | 0 | 112 | I429 R432 L433 A445 E446 E447 R451 L452 F453 W471 F478 | I429-L449 HydrophobicContact CD1-CD1 3.77Å; I429-L449 HydrophobicContact CD1-CD2 4.46Å; I429-L449 HydrophobicContact CD1-CG 4.39Å; I429-L449 HydrophobicContact CG2-CD1 4.21Å; I429-L449 HydrophobicContact CG2-CD2 3.96Å; R432-L449 HydrophobicContact CB-CD1 4.06Å; R432-L449 HydrophobicContact CG-CD1 4Å; L433-L449 HydrophobicContact CD1-CD2 4.26Å; L433-L449 HydrophobicContact CD2-CB 4.39Å; L433-L449 HydrophobicContact CD2-CD2 4.23Å; L433-L449 HydrophobicContact CG-CD1 4.45Å; L433-L449 HydrophobicContact CG-CD2 4.39Å; A445-L449 WeakPolarHBondContact O-CB 3.32Å; A445-L449 PolarHBondContact O-N 3Å; E446-L449 PolarHBondContact O-N 3.06Å; E447-L449 VanDerWaalsContact C-N 3.3Å; E447-L449 PolarHBondContact O-N 3.43Å; L449-R451 PolarHBondContact O-N 3.37Å; L449-R451 VanDerWaalsContact O-N 3.15Å; L449-L452 VanDerWaalsContact O-CB 3.28Å; L449-L452 WeakPolarHBondContact O-CB 3.45Å; L449-L452 PolarHBondContact O-N 2.92Å; L449-F453 HydrophobicContact CG-CE1 4.19Å; L449-F453 HydrophobicContact CG-CZ 4.33Å; L449-W471 HydrophobicContact CD2-CZ3 4.14Å; L449-F478 HydrophobicContact CD2-CB 4.22Å; L449-F478 HydrophobicContact CD2-CD2 3.93Å; L449-F478 HydrophobicContact CD2-CG 4.41Å |
| 450 | R | 93.7 | Very high | 92.1 | Very high | 96 Ų | 96 | 60.2 Ų | 60.2 | 36% | 0.362 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.3 | -29.4 | 177.6 | -75.5 | -174 | -172.9 | 122.7 | 9 | 113.2 | E446 L452 F453 P454 W471 | E446-R450 VanDerWaalsContact CD-NH1 3.28Å; E446-R450 WeakPolarHBondContact O-CG 3.41Å; E446-R450 PolarHBondContact O-N 3.23Å; E446-R450 IonicContact OE1-CZ 2.71Å; E446-R450 IonicContact OE1-NH1 3.75Å; E446-R450 PolarHBondContact OE1-NH1 3.39Å; E446-R450 IonicContact OE1-NH2 3.93Å; E446-R450 PolarHBondContact OE1-NH2 2.99Å; R450-L452 PolarHBondContact O-N 3.34Å; R450-F453 HydrophobicContact CG-CD2 4.38Å; R450-F453 HydrophobicContact CG-CE2 4.12Å; R450-F453 PolarHBondContact O-N 3.07Å; R450-F453 VanDerWaalsContact O-N 3.07Å; R450-P454 WeakPolarHBondContact O-CD 3.36Å; R450-W471 HydrophobicContact CG-CE3 3.91Å; R450-W471 HydrophobicContact CG-CZ3 4.15Å; R450-W471 VanDerWaalsContact NH2-CZ2 3.3Å |
| 451 | R | 92.8 | Very high | 92.5 | Very high | 143 Ų | 143 | 56.2 Ų | 56.2 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.5 | 175.2 | -174.1 | 169.7 | -80 | 107.2 | -5.1 | 113.9 | E447 L449 | E447-R451 WeakPolarHBondContact O-CB 3.37Å; E447-R451 PolarHBondContact O-N 2.89Å; E447-R451 VanDerWaalsContact O-N 3.1Å; E447-R451 PolarHBondContact O-NH1 2.98Å; E447-R451 IonicContact OE1-CZ 2.94Å; E447-R451 IonicContact OE1-NH1 2.78Å; E447-R451 PolarHBondContact OE1-NH1 3.5Å; E447-R451 IonicContact OE1-NH2 2.92Å; E447-R451 PolarHBondContact OE1-NH2 3Å; L449-R451 PolarHBondContact O-N 3.37Å; L449-R451 VanDerWaalsContact O-N 3.15Å |
| 452 | L | 94.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -28.4 | 172.3 | -178.9 | 62.8 | 0 | 0 | 0 | 113.2 | M340 I428 R432 L449 R450 T455 L456 | M340-L452 HydrophobicContact CE-CD1 3.88Å; M340-L452 HydrophobicContact SD-CD1 3.89Å; M340-L452 HydrophobicContact SD-CD2 4.09Å; I428-L452 HydrophobicContact CG2-CD2 3.73Å; R432-L452 HydrophobicContact CB-CD2 4Å; R432-L452 HydrophobicContact CG-CB 4.48Å; R432-L452 HydrophobicContact CG-CD2 3.88Å; L449-L452 VanDerWaalsContact O-CB 3.28Å; L449-L452 WeakPolarHBondContact O-CB 3.45Å; L449-L452 PolarHBondContact O-N 2.92Å; R450-L452 PolarHBondContact O-N 3.34Å; L452-T455 WeakPolarHBondContact O-CB 3.38Å; L452-T455 PolarHBondContact O-N 3.34Å; L452-T455 VanDerWaalsContact O-N 3.07Å; L452-L456 HydrophobicContact CD2-CD1 3.99Å; L452-L456 HydrophobicContact CD2-CG 4.49Å; L452-L456 HydrophobicContact CG-CD1 3.91Å; L452-L456 HydrophobicContact CG-CG 4.05Å; L452-L456 PolarHBondContact O-N 2.95Å; L452-L456 VanDerWaalsContact O-N 3.16Å |
| 453 | F | 95.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -36.9 | -168.8 | -62.4 | -7.5 | 0 | 0 | 0 | 114.7 | I429 L449 R450 T455 L456 I457 N467 L470 W471 | I429-F453 HydrophobicContact CD1-CE1 3.81Å; L449-F453 HydrophobicContact CG-CE1 4.19Å; L449-F453 HydrophobicContact CG-CZ 4.33Å; R450-F453 HydrophobicContact CG-CD2 4.38Å; R450-F453 HydrophobicContact CG-CE2 4.12Å; R450-F453 PolarHBondContact O-N 3.07Å; R450-F453 VanDerWaalsContact O-N 3.07Å; F453-T455 PolarHBondContact O-N 3.14Å; F453-L456 HydrophobicContact CD1-CD1 4.2Å; F453-L456 PolarHBondContact O-N 3.25Å; F453-L456 VanDerWaalsContact O-N 3.12Å; F453-I457 VanDerWaalsContact O-CG1 3.31Å; F453-I457 WeakPolarHBondContact O-CG1 3.41Å; F453-I457 PolarHBondContact O-N 3.26Å; F453-N467 WeakPolarHBondContact CB-OD1 3.25Å; F453-L470 HydrophobicContact CB-CD1 4Å; F453-L470 HydrophobicContact CD1-CB 4.36Å; F453-L470 HydrophobicContact CD2-CB 4.02Å; F453-L470 HydrophobicContact CE1-CB 4.49Å; F453-L470 HydrophobicContact CE2-CB 4.16Å; F453-L470 HydrophobicContact CG-CB 4.13Å; F453-L470 HydrophobicContact CG-CD1 4.21Å; F453-L470 HydrophobicContact CZ-CB 4.39Å; F453-W471 HydrophobicContact CE2-CB 3.85Å; F453-W471 HydrophobicContact CE2-CD2 4.49Å; F453-W471 AromaticContact CE2-CE3 3.78Å; F453-W471 HydrophobicContact CE2-CE3 3.78Å; F453-W471 AromaticContact CZ-CE3 3.87Å; F453-W471 HydrophobicContact CZ-CE3 3.87Å |
| 454 | P | 94.1 | Very high | 93.7 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -26.5 | 173 | -26.2 | 36.4 | 0 | 0 | 0 | 114.1 | R450 Q458 | R450-P454 WeakPolarHBondContact O-CD 3.36Å; P454-Q458 PolarHBondContact O-NE2 2.82Å |
| 455 | T | 92.8 | Very high | 93.9 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 34% | 0.344 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -77.8 | -43.7 | 172.5 | -48.3 | 0 | 0 | 0 | 0 | 110.9 | L452 F453 I457 Q458 | L452-T455 WeakPolarHBondContact O-CB 3.38Å; L452-T455 PolarHBondContact O-N 3.34Å; L452-T455 VanDerWaalsContact O-N 3.07Å; F453-T455 PolarHBondContact O-N 3.14Å; T455-I457 PolarHBondContact O-N 3.46Å; T455-Q458 PolarHBondContact O-N 2.74Å |
| 456 | L | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 179 | -73.3 | 174.3 | 0 | 0 | 0 | 113.2 | L344 L347 F425 I428 L452 F453 Q458 L459 W460 L470 | L344-L456 HydrophobicContact CD2-CD2 3.42Å; L344-L456 VanDerWaalsContact CD2-CD2 3.42Å; L347-L456 HydrophobicContact CD2-CD2 4.11Å; F425-L456 HydrophobicContact CD2-CD1 4.24Å; F425-L456 HydrophobicContact CE2-CD1 3.93Å; I428-L456 HydrophobicContact CD1-CD2 4.48Å; I428-L456 HydrophobicContact CG2-CD2 4.37Å; L452-L456 HydrophobicContact CD2-CD1 3.99Å; L452-L456 HydrophobicContact CD2-CG 4.49Å; L452-L456 HydrophobicContact CG-CD1 3.91Å; L452-L456 HydrophobicContact CG-CG 4.05Å; L452-L456 PolarHBondContact O-N 2.95Å; L452-L456 VanDerWaalsContact O-N 3.16Å; F453-L456 HydrophobicContact CD1-CD1 4.2Å; F453-L456 PolarHBondContact O-N 3.25Å; F453-L456 VanDerWaalsContact O-N 3.12Å; L456-Q458 PolarHBondContact O-N 2.89Å; L456-Q458 VanDerWaalsContact O-N 3.12Å; L456-L459 HydrophobicContact CD2-CD1 4.1Å; L456-L459 WeakPolarHBondContact O-CB 3.41Å; L456-L459 WeakPolarHBondContact O-CG 3.45Å; L456-L459 PolarHBondContact O-N 2.99Å; L456-W460 HydrophobicContact CB-CZ3 4.39Å; L456-W460 VanDerWaalsContact O-CZ3 3.23Å; L456-W460 WeakPolarHBondContact O-CZ3 3.35Å; L456-L470 HydrophobicContact CB-CD1 4.08Å |
| 457 | I | 94.9 | Very high | 94.2 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 22% | 0.221 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -58.1 | -29.4 | -178.2 | -70.2 | 168.2 | 0 | 0 | 0 | 112.1 | F453 T455 L459 W460 I465 N467 L470 | F453-I457 VanDerWaalsContact O-CG1 3.31Å; F453-I457 WeakPolarHBondContact O-CG1 3.41Å; F453-I457 PolarHBondContact O-N 3.26Å; T455-I457 PolarHBondContact O-N 3.46Å; I457-L459 PolarHBondContact O-N 3.42Å; I457-L459 VanDerWaalsContact O-N 3.16Å; I457-W460 PolarHBondContact O-N 2.77Å; I457-W460 VanDerWaalsContact O-N 3.07Å; I457-I465 HydrophobicContact CG1-CG2 4.26Å; I457-I465 HydrophobicContact CG2-CG2 4.45Å; I457-N467 HydrophobicContact CD1-CB 4.31Å; I457-N467 VanDerWaalsContact CD1-CG 3.43Å; I457-N467 VanDerWaalsContact CD1-ND2 3.34Å; I457-N467 WeakPolarHBondContact CD1-ND2 3.27Å; I457-N467 WeakPolarHBondContact CD1-OD1 3.28Å; I457-L470 HydrophobicContact CD1-CD1 4.25Å; I457-L470 HydrophobicContact CG1-CD1 3.59Å |
| 458 | Q | 93.9 | Very high | 94.2 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -67.7 | -9.6 | 178.2 | -66.4 | 167.8 | 68.6 | 0 | 0 | 113.9 | P454 T455 L456 W460 | P454-Q458 PolarHBondContact O-NE2 2.82Å; T455-Q458 PolarHBondContact O-N 2.74Å; L456-Q458 PolarHBondContact O-N 2.89Å; L456-Q458 VanDerWaalsContact O-N 3.12Å; Q458-W460 VanDerWaalsContact C-N 3.33Å |
| 459 | L | 94.3 | Very high | 94.3 | Very high | 47 Ų | 47 | 53.3 Ų | 53.3 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -80.4 | -13.5 | 171.9 | -56.1 | 177.5 | 0 | 0 | 0 | 113 | L347 I351 L456 I457 | L347-L459 HydrophobicContact CB-CD1 4.34Å; L347-L459 HydrophobicContact CD2-CD1 3.82Å; L347-L459 HydrophobicContact CG-CD1 3.98Å; I351-L459 HydrophobicContact CD1-CB 3.71Å; I351-L459 HydrophobicContact CD1-CD1 4.4Å; I351-L459 WeakPolarHBondContact CG2-O 3.45Å; L456-L459 HydrophobicContact CD2-CD1 4.1Å; L456-L459 WeakPolarHBondContact O-CB 3.41Å; L456-L459 WeakPolarHBondContact O-CG 3.45Å; L456-L459 PolarHBondContact O-N 2.99Å; I457-L459 PolarHBondContact O-N 3.42Å; I457-L459 VanDerWaalsContact O-N 3.16Å |
| 460 | W | 95.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -109.1 | 150.7 | 176.6 | -73.8 | -96.2 | 0 | 0 | 0 | 110.6 | L347 I351 Y415 W417 L456 I457 Q458 I465 L470 | L347-W460 HydrophobicContact CD2-CH2 4.28Å; I351-W460 HydrophobicContact CD1-CD2 3.73Å; I351-W460 VanDerWaalsContact CD1-CE2 3.48Å; I351-W460 HydrophobicContact CD1-CE3 3.91Å; I351-W460 HydrophobicContact CD1-CG 4.48Å; I351-W460 HydrophobicContact CD1-CH2 3.69Å; I351-W460 HydrophobicContact CD1-CZ2 3.48Å; I351-W460 VanDerWaalsContact CD1-CZ2 3.48Å; I351-W460 HydrophobicContact CD1-CZ3 3.88Å; I351-W460 HydrophobicContact CG1-CZ2 4.06Å; I351-W460 HydrophobicContact CG2-CG 4.29Å; Y415-W460 HydrophobicContact CD1-CZ2 4.26Å; Y415-W460 AromaticContact CD1-NE1 3.2Å; Y415-W460 AromaticContact CD2-CD1 3.73Å; Y415-W460 AromaticContact CD2-NE1 3.47Å; Y415-W460 HydrophobicContact CE1-CZ2 4.09Å; Y415-W460 AromaticContact CE1-NE1 3.38Å; Y415-W460 AromaticContact CE2-NE1 3.65Å; Y415-W460 AromaticContact CG-CD1 3.72Å; Y415-W460 AromaticContact CG-NE1 3.24Å; Y415-W460 AromaticContact CZ-NE1 3.61Å; W417-W460 HydrophobicContact CH2-CH2 4.23Å; W417-W460 HydrophobicContact CH2-CZ2 4.07Å; W417-W460 HydrophobicContact CZ3-CZ2 4.24Å; L456-W460 HydrophobicContact CB-CZ3 4.39Å; L456-W460 VanDerWaalsContact O-CZ3 3.23Å; L456-W460 WeakPolarHBondContact O-CZ3 3.35Å; I457-W460 PolarHBondContact O-N 2.77Å; I457-W460 VanDerWaalsContact O-N 3.07Å; Q458-W460 VanDerWaalsContact C-N 3.33Å; W460-I465 HydrophobicContact CB-CG2 3.82Å; W460-I465 HydrophobicContact CD2-CB 4.26Å; W460-I465 HydrophobicContact CD2-CD1 4.04Å; W460-I465 HydrophobicContact CD2-CG2 3.66Å; W460-I465 HydrophobicContact CE3-CD1 4.39Å; W460-I465 HydrophobicContact CE3-CG2 3.78Å; W460-I465 HydrophobicContact CG-CB 4.17Å; W460-I465 HydrophobicContact CG-CG2 3.69Å; W460-I465 HydrophobicContact CH2-CD1 3.97Å; W460-I465 HydrophobicContact CZ2-CD1 3.57Å; W460-I465 HydrophobicContact CZ3-CD1 4.37Å; W460-L470 HydrophobicContact CH2-CD2 4.02Å; W460-L470 HydrophobicContact CZ3-CD2 4.24Å |
| 461 | P | 93.6 | Very high | 94.6 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | trans | -67.8 | 161.3 | 171.7 | -7.5 | 21.8 | 0 | 0 | 0 | 111.4 | M355 G463 W464 | M355-P461 HydrophobicContact CE-CG 4.36Å; M355-P461 HydrophobicContact CG-CG 3.94Å; M355-P461 HydrophobicContact SD-CG 3.98Å; P461-G463 PolarHBondContact O-N 2.97Å; P461-W464 VanDerWaalsContact O-CD1 3.31Å; P461-W464 PolarHBondContact O-N 3.32Å | ||
| 462 | D | 93 | Very high | 94.7 | Very high | 150 Ų | 150 | 52.6 Ų | 52.6 | 80% | 0.802 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 127.9 | -171 | -77.9 | -51.2 | 0 | 0 | 0 | 114.3 | K413 | K413-D462 PolarHBondContact NZ-O 3.06Š|
| 463 | G | 93.2 | Very high | 94.7 | Very high | 53 Ų | 53 | 53.1 Ų | 53.1 | 55% | 0.546 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 5.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116 | K413 P461 | K413-G463 WeakPolarHBondContact CB-O 3.5Å; P461-G463 PolarHBondContact O-N 2.97Å |
| 464 | W | 95.9 | Very high | 94.7 | Very high | 17 Ų | 17 | 53 Ų | 53 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -82.2 | -23.2 | 178.4 | -76 | 100.5 | 0 | 0 | 0 | 114.8 | M355 I358 I359 Y362 K413 Y415 P461 | M355-W464 HydrophobicContact SD-CD2 4.36Å; M355-W464 HydrophobicContact SD-CG 4.43Å; I358-W464 HydrophobicContact CG2-CE3 4.04Å; I358-W464 HydrophobicContact CG2-CH2 3.88Å; I358-W464 HydrophobicContact CG2-CZ3 3.45Å; I358-W464 VanDerWaalsContact CG2-CZ3 3.45Å; I359-W464 HydrophobicContact CB-CZ2 4.46Å; I359-W464 HydrophobicContact CG1-CH2 4.45Å; I359-W464 HydrophobicContact CG1-CZ2 3.76Å; Y362-W464 HydrophobicContact CD1-CH2 4.19Å; Y362-W464 HydrophobicContact CD1-CZ2 4.26Å; Y362-W464 HydrophobicContact CD2-CH2 4.38Å; Y362-W464 AromaticContact CG-CH2 3.78Å; Y362-W464 HydrophobicContact CG-CH2 3.78Å; Y362-W464 HydrophobicContact CG-CZ2 4.31Å; K413-W464 HydrophobicContact CB-CD2 4.12Å; K413-W464 HydrophobicContact CB-CE3 4.01Å; K413-W464 HydrophobicContact CB-CZ3 4.36Å; K413-W464 HydrophobicContact CD-CD2 4.26Å; K413-W464 HydrophobicContact CD-CG 4.39Å; K413-W464 HydrophobicContact CG-CD2 4.27Å; K413-W464 HydrophobicContact CG-CE3 4.45Å; K413-W464 HydrophobicContact CG-CZ2 4.31Å; Y415-W464 WeakPolarHBondContact CB-O 3.42Å; Y415-W464 PolarHBondContact N-O 2.97Å; P461-W464 VanDerWaalsContact O-CD1 3.31Å; P461-W464 PolarHBondContact O-N 3.32Å |
| 465 | I | 95.8 | Very high | 94.7 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | trans | -143.4 | 161.8 | 177.6 | -155.6 | 159.9 | 0 | 0 | 0 | 110.5 | Y415 W417 I457 W460 A469 L470 | Y415-I465 HydrophobicContact CD1-CD1 4.4Å; W417-I465 HydrophobicContact CH2-CD1 4.2Å; W417-I465 HydrophobicContact CZ2-CD1 3.79Å; I457-I465 HydrophobicContact CG1-CG2 4.26Å; I457-I465 HydrophobicContact CG2-CG2 4.45Å; W460-I465 HydrophobicContact CB-CG2 3.82Å; W460-I465 HydrophobicContact CD2-CB 4.26Å; W460-I465 HydrophobicContact CD2-CD1 4.04Å; W460-I465 HydrophobicContact CD2-CG2 3.66Å; W460-I465 HydrophobicContact CE3-CD1 4.39Å; W460-I465 HydrophobicContact CE3-CG2 3.78Å; W460-I465 HydrophobicContact CG-CB 4.17Å; W460-I465 HydrophobicContact CG-CG2 3.69Å; W460-I465 HydrophobicContact CH2-CD1 3.97Å; W460-I465 HydrophobicContact CZ2-CD1 3.57Å; W460-I465 HydrophobicContact CZ3-CD1 4.37Å; I465-A469 HydrophobicContact CG1-CB 4.05Å; I465-L470 HydrophobicContact CD1-CD2 3.56Å; I465-L470 HydrophobicContact CD1-CG 4.18Å; I465-L470 HydrophobicContact CG1-CD2 4.19Å; I465-L470 HydrophobicContact CG1-CG 4.27Å | ||
| 466 | T | 94.5 | Very high | 94.8 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 47% | 0.466 | 29% | 0.292 | S | S | . | . | trans | -136.4 | 159.3 | -179 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | A468 A469 L470 | T466-A468 PolarHBondContact O-N 3.27Å; T466-A469 WeakPolarHBondContact O-CB 3.3Å; T466-A469 PolarHBondContact O-N 3.18Å; T466-A469 PolarHBondContact OG1-N 2.89Å; T466-A469 VanDerWaalsContact OG1-N 3.12Å; T466-L470 PolarHBondContact O-N 3.34Å | ||
| 467 | N | 94.6 | Very high | 94.8 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -53 | -35.9 | 172.4 | -75.3 | -72.2 | 0 | 0 | 0 | 112.4 | F453 I457 W471 | F453-N467 WeakPolarHBondContact CB-OD1 3.25Å; I457-N467 HydrophobicContact CD1-CB 4.31Å; I457-N467 VanDerWaalsContact CD1-CG 3.43Å; I457-N467 VanDerWaalsContact CD1-ND2 3.34Å; I457-N467 WeakPolarHBondContact CD1-ND2 3.27Å; I457-N467 WeakPolarHBondContact CD1-OD1 3.28Å; N467-W471 WeakPolarHBondContact O-CB 3.49Å; N467-W471 PolarHBondContact O-N 3.39Å |
| 468 | A | 94.3 | Very high | 94.8 | Very high | 48 Ų | 48 | 53.2 Ų | 53.2 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.8 | -27.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T466 R472 | T466-A468 PolarHBondContact O-N 3.27Å; A468-R472 WeakPolarHBondContact O-CG 3.41Å; A468-R472 PolarHBondContact O-N 3.41Å; A468-R472 PolarHBondContact O-NH1 2.89Å |
| 469 | A | 94.7 | Very high | 94.8 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 24% | 0.24 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.1 | -49.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | I465 T466 W471 R472 T473 | I465-A469 HydrophobicContact CG1-CB 4.05Å; T466-A469 WeakPolarHBondContact O-CB 3.3Å; T466-A469 PolarHBondContact O-N 3.18Å; T466-A469 PolarHBondContact OG1-N 2.89Å; T466-A469 VanDerWaalsContact OG1-N 3.12Å; A469-W471 VanDerWaalsContact C-N 3.3Å; A469-W471 PolarHBondContact O-N 3.18Å; A469-R472 PolarHBondContact O-N 3.01Å; A469-R472 VanDerWaalsContact O-N 3.16Å; A469-T473 PolarHBondContact O-N 3.34Å; A469-T473 PolarHBondContact O-OG1 2.76Å; A469-T473 VanDerWaalsContact O-OG1 3.13Å |
| 470 | L | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.7 | -41 | 175.6 | -66 | 177 | 0 | 0 | 0 | 112.2 | W417 F425 F453 L456 I457 W460 I465 T466 T473 G474 | W417-L470 HydrophobicContact CH2-CD2 4.07Å; W417-L470 HydrophobicContact CZ2-CD2 4.24Å; F425-L470 HydrophobicContact CD2-CD2 4.26Å; F425-L470 HydrophobicContact CE2-CB 4.46Å; F425-L470 HydrophobicContact CE2-CD2 3.69Å; F425-L470 HydrophobicContact CZ-CB 4.45Å; F425-L470 HydrophobicContact CZ-CD2 4.24Å; F425-L470 WeakPolarHBondContact CZ-O 3.17Å; F453-L470 HydrophobicContact CB-CD1 4Å; F453-L470 HydrophobicContact CD1-CB 4.36Å; F453-L470 HydrophobicContact CD2-CB 4.02Å; F453-L470 HydrophobicContact CE1-CB 4.49Å; F453-L470 HydrophobicContact CE2-CB 4.16Å; F453-L470 HydrophobicContact CG-CB 4.13Å; F453-L470 HydrophobicContact CG-CD1 4.21Å; F453-L470 HydrophobicContact CZ-CB 4.39Å; L456-L470 HydrophobicContact CB-CD1 4.08Å; I457-L470 HydrophobicContact CD1-CD1 4.25Å; I457-L470 HydrophobicContact CG1-CD1 3.59Å; W460-L470 HydrophobicContact CH2-CD2 4.02Å; W460-L470 HydrophobicContact CZ3-CD2 4.24Å; I465-L470 HydrophobicContact CD1-CD2 3.56Å; I465-L470 HydrophobicContact CD1-CG 4.18Å; I465-L470 HydrophobicContact CG1-CD2 4.19Å; I465-L470 HydrophobicContact CG1-CG 4.27Å; T466-L470 PolarHBondContact O-N 3.34Å; L470-T473 PolarHBondContact O-N 2.91Å; L470-G474 PolarHBondContact O-N 2.8Å |
| 471 | W | 96.2 | Very high | 94.7 | Very high | 43 Ų | 43 | 57 Ų | 57 | 16% | 0.163 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.3 | -49 | 174.6 | -174.9 | -114.1 | 0 | 0 | 0 | 112.1 | E446 L449 R450 F453 N467 A469 T473 G474 L475 F478 | E446-W471 HydrophobicContact CB-CH2 4.48Å; E446-W471 HydrophobicContact CG-CH2 3.51Å; E446-W471 HydrophobicContact CG-CZ2 3.95Å; E446-W471 HydrophobicContact CG-CZ3 4.26Å; L449-W471 HydrophobicContact CD2-CZ3 4.14Å; R450-W471 HydrophobicContact CG-CE3 3.91Å; R450-W471 HydrophobicContact CG-CZ3 4.15Å; R450-W471 VanDerWaalsContact NH2-CZ2 3.3Å; F453-W471 HydrophobicContact CE2-CB 3.85Å; F453-W471 HydrophobicContact CE2-CD2 4.49Å; F453-W471 AromaticContact CE2-CE3 3.78Å; F453-W471 HydrophobicContact CE2-CE3 3.78Å; F453-W471 AromaticContact CZ-CE3 3.87Å; F453-W471 HydrophobicContact CZ-CE3 3.87Å; N467-W471 WeakPolarHBondContact O-CB 3.49Å; N467-W471 PolarHBondContact O-N 3.39Å; A469-W471 VanDerWaalsContact C-N 3.3Å; A469-W471 PolarHBondContact O-N 3.18Å; W471-T473 PolarHBondContact O-N 2.98Å; W471-G474 PolarHBondContact O-N 3.1Å; W471-L475 HydrophobicContact CH2-CD1 4.47Å; W471-L475 HydrophobicContact CZ2-CD1 3.68Å; W471-L475 WeakPolarHBondContact O-CB 3.48Å; W471-L475 PolarHBondContact O-N 3.26Å; W471-F478 HydrophobicContact CH2-CB 4.48Å; W471-F478 AromaticContact CH2-CD1 3.71Å; W471-F478 HydrophobicContact CH2-CD1 3.71Å; W471-F478 HydrophobicContact CH2-CD2 4.36Å; W471-F478 AromaticContact CH2-CE1 4Å; W471-F478 HydrophobicContact CH2-CE1 4Å; W471-F478 AromaticContact CH2-CG 3.9Å; W471-F478 HydrophobicContact CH2-CG 3.9Å; W471-F478 HydrophobicContact CH2-CZ 4.45Å; W471-F478 HydrophobicContact CZ2-CD1 4.24Å; W471-F478 HydrophobicContact CZ3-CG 4.5Å |
| 472 | R | 95.6 | Very high | 94.5 | Very high | 181 Ų | 181 | 55 Ų | 55 | 68% | 0.683 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 178.6 | -72.7 | 179.6 | -173.1 | 103.4 | -12.1 | 112.2 | A468 A469 | A468-R472 WeakPolarHBondContact O-CG 3.41Å; A468-R472 PolarHBondContact O-N 3.41Å; A468-R472 PolarHBondContact O-NH1 2.89Å; A469-R472 PolarHBondContact O-N 3.01Å; A469-R472 VanDerWaalsContact O-N 3.16Å |
| 473 | T | 94.5 | Very high | 94.4 | Very high | 15 Ų | 15 | 51.4 Ų | 51.4 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.5 | -52 | 0 | 0 | 0 | 0 | 112.1 | W417 R422 F425 A469 L470 W471 | W417-T473 HydrophobicContact CD2-CG2 4.35Å; W417-T473 HydrophobicContact CH2-CG2 4Å; W417-T473 HydrophobicContact CZ2-CG2 3.71Å; W417-T473 VanDerWaalsContact CZ2-OG1 3.26Å; W417-T473 WeakPolarHBondContact CZ2-OG1 3.49Å; W417-T473 HydrophobicContact CZ3-CG2 4.43Å; W417-T473 PolarHBondContact NE1-OG1 2.87Å; R422-T473 PolarHBondContact NH2-O 2.93Å; R422-T473 VanDerWaalsContact NH2-O 3.12Å; F425-T473 HydrophobicContact CD1-CG2 3.72Å; F425-T473 HydrophobicContact CE1-CG2 3.54Å; F425-T473 HydrophobicContact CZ-CG2 4.49Å; A469-T473 PolarHBondContact O-N 3.34Å; A469-T473 PolarHBondContact O-OG1 2.76Å; A469-T473 VanDerWaalsContact O-OG1 3.13Å; L470-T473 PolarHBondContact O-N 2.91Å; W471-T473 PolarHBondContact O-N 2.98Å |
| 474 | G | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -84.8 | -15.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L470 W471 I477 F478 | L470-G474 PolarHBondContact O-N 2.8Å; W471-G474 PolarHBondContact O-N 3.1Å; G474-I477 WeakPolarHBondContact O-CB 3.39Å; G474-I477 PolarHBondContact O-N 2.83Å; G474-I477 VanDerWaalsContact O-N 3.15Å; G474-F478 PolarHBondContact O-N 3.04Å |
| 475 | L | 95.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 55.3 Ų | 55.3 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.3 | -43.5 | -173.6 | 178.7 | 67.2 | 0 | 0 | 0 | 114.2 | W471 I477 F478 Q479 | W471-L475 HydrophobicContact CH2-CD1 4.47Å; W471-L475 HydrophobicContact CZ2-CD1 3.68Å; W471-L475 WeakPolarHBondContact O-CB 3.48Å; W471-L475 PolarHBondContact O-N 3.26Å; L475-I477 VanDerWaalsContact C-N 3.26Å; L475-I477 PolarHBondContact O-N 3.25Å; L475-F478 HydrophobicContact CD1-CD1 4.38Å; L475-F478 WeakPolarHBondContact O-CB 3.48Å; L475-F478 PolarHBondContact O-N 3.17Å; L475-Q479 HydrophobicContact CD1-CG 4.02Å; L475-Q479 HydrophobicContact CG-CG 4.29Å; L475-Q479 WeakPolarHBondContact O-CB 3.41Å; L475-Q479 WeakPolarHBondContact O-CG 3.49Å; L475-Q479 PolarHBondContact O-N 3.18Å |
| 476 | P | 94.6 | Very high | 92.9 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 178.6 | -23.5 | 35 | 0 | 0 | 0 | 113 | K480 | P476-K480 WeakPolarHBondContact O-CB 3.29Å; P476-K480 PolarHBondContact O-N 3.31Å |
| 477 | I | 94.8 | Very high | 91.8 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -73.2 | -42 | 177.8 | -61 | 174.9 | 0 | 0 | 0 | 110.2 | D426 I429 L430 L433 G474 L475 F481 | D426-I477 HydrophobicContact CB-CD1 3.43Å; D426-I477 VanDerWaalsContact CB-CD1 3.43Å; D426-I477 VanDerWaalsContact CG-CD1 3.42Å; D426-I477 VanDerWaalsContact OD1-CD1 3.27Å; D426-I477 WeakPolarHBondContact OD1-CD1 3.43Å; I429-I477 HydrophobicContact CB-CG2 4.41Å; I429-I477 HydrophobicContact CG2-CB 4.08Å; I429-I477 HydrophobicContact CG2-CG2 3.72Å; L430-I477 HydrophobicContact CD2-CG2 3.57Å; L430-I477 HydrophobicContact CG-CG2 3.7Å; L433-I477 HydrophobicContact CD1-CG2 4.48Å; G474-I477 WeakPolarHBondContact O-CB 3.39Å; G474-I477 PolarHBondContact O-N 2.83Å; G474-I477 VanDerWaalsContact O-N 3.15Å; L475-I477 VanDerWaalsContact C-N 3.26Å; L475-I477 PolarHBondContact O-N 3.25Å; I477-F481 VanDerWaalsContact O-CB 3.26Å; I477-F481 WeakPolarHBondContact O-CB 3.48Å; I477-F481 PolarHBondContact O-N 3.03Å |
| 478 | F | 95.1 | Very high | 90 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 173.8 | 177.9 | -101.7 | 0 | 0 | 0 | 111.7 | L433 A445 E446 L449 W471 G474 L475 F481 C482 | L433-F478 HydrophobicContact CD1-CD2 4.36Å; L433-F478 HydrophobicContact CD2-CD2 3.96Å; L433-F478 HydrophobicContact CD2-CE2 4.32Å; A445-F478 HydrophobicContact CB-CE2 3.89Å; A445-F478 HydrophobicContact CB-CZ 4.45Å; E446-F478 HydrophobicContact CB-CE1 4.32Å; E446-F478 HydrophobicContact CB-CE2 4.17Å; E446-F478 HydrophobicContact CB-CZ 3.65Å; E446-F478 HydrophobicContact CG-CE1 4.26Å; E446-F478 HydrophobicContact CG-CZ 4.07Å; L449-F478 HydrophobicContact CD2-CB 4.22Å; L449-F478 HydrophobicContact CD2-CD2 3.93Å; L449-F478 HydrophobicContact CD2-CG 4.41Å; W471-F478 HydrophobicContact CH2-CB 4.48Å; W471-F478 AromaticContact CH2-CD1 3.71Å; W471-F478 HydrophobicContact CH2-CD1 3.71Å; W471-F478 HydrophobicContact CH2-CD2 4.36Å; W471-F478 AromaticContact CH2-CE1 4Å; W471-F478 HydrophobicContact CH2-CE1 4Å; W471-F478 AromaticContact CH2-CG 3.9Å; W471-F478 HydrophobicContact CH2-CG 3.9Å; W471-F478 HydrophobicContact CH2-CZ 4.45Å; W471-F478 HydrophobicContact CZ2-CD1 4.24Å; W471-F478 HydrophobicContact CZ3-CG 4.5Å; G474-F478 PolarHBondContact O-N 3.04Å; L475-F478 HydrophobicContact CD1-CD1 4.38Å; L475-F478 WeakPolarHBondContact O-CB 3.48Å; L475-F478 PolarHBondContact O-N 3.17Å; F478-F481 PolarHBondContact O-N 3.03Å; F478-C482 WeakPolarHBondContact O-CB 3.43Å; F478-C482 PolarHBondContact O-N 2.81Å |
| 479 | Q | 94.4 | Very high | 87.8 | Confident | 107 Ų | 107 | 61 Ų | 61 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.3 | -51.2 | 176.4 | -74.5 | 171.1 | -39.4 | 0 | 0 | 111.5 | L475 F481 C482 S483 | L475-Q479 HydrophobicContact CD1-CG 4.02Å; L475-Q479 HydrophobicContact CG-CG 4.29Å; L475-Q479 WeakPolarHBondContact O-CB 3.41Å; L475-Q479 WeakPolarHBondContact O-CG 3.49Å; L475-Q479 PolarHBondContact O-N 3.18Å; Q479-F481 PolarHBondContact O-N 3.45Å; Q479-C482 PolarHBondContact O-N 3.29Å; Q479-S483 PolarHBondContact O-N 3.25Å; Q479-S483 PolarHBondContact O-OG 2.75Å |
| 480 | K | 93.4 | Very high | 84.9 | Confident | 136 Ų | 136 | 67.1 Ų | 67.1 | 59% | 0.591 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.3 | -49.1 | 176 | 177.7 | 174 | 177.2 | 177.7 | 0 | 111.6 | P476 C482 S483 D484 | P476-K480 WeakPolarHBondContact O-CB 3.29Å; P476-K480 PolarHBondContact O-N 3.31Å; K480-C482 VanDerWaalsContact C-N 3.31Å; K480-C482 PolarHBondContact O-N 3.42Å; K480-S483 PolarHBondContact O-N 3.08Å; K480-D484 WeakPolarHBondContact CE-OD2 3.45Å; K480-D484 WeakPolarHBondContact CG-OD2 3.48Å; K480-D484 WeakPolarHBondContact O-CB 3.4Å; K480-D484 VanDerWaalsContact O-CG 3.25Å; K480-D484 PolarHBondContact O-N 3.04Å |
| 481 | F | 92.9 | Very high | 82 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 7% | 0.07 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 179.3 | -175.4 | -85.6 | 0 | 0 | 0 | 112.2 | L433 K437 I477 F478 Q479 N485 L487 | L433-F481 HydrophobicContact CB-CD1 3.81Å; L433-F481 HydrophobicContact CB-CD2 3.72Å; L433-F481 HydrophobicContact CB-CE1 3.82Å; L433-F481 HydrophobicContact CB-CE2 3.73Å; L433-F481 HydrophobicContact CB-CG 3.76Å; L433-F481 HydrophobicContact CB-CZ 3.79Å; L433-F481 HydrophobicContact CD1-CB 3.87Å; L433-F481 HydrophobicContact CD1-CD1 4.27Å; L433-F481 HydrophobicContact CD1-CD2 4.48Å; L433-F481 HydrophobicContact CD1-CG 3.96Å; L433-F481 HydrophobicContact CD2-CD1 4.24Å; L433-F481 HydrophobicContact CG-CD1 4.33Å; L433-F481 HydrophobicContact CG-CG 4.35Å; L433-F481 WeakPolarHBondContact O-CZ 3.37Å; K437-F481 HydrophobicContact CB-CZ 4.31Å; I477-F481 VanDerWaalsContact O-CB 3.26Å; I477-F481 WeakPolarHBondContact O-CB 3.48Å; I477-F481 PolarHBondContact O-N 3.03Å; F478-F481 PolarHBondContact O-N 3.03Å; Q479-F481 PolarHBondContact O-N 3.45Å; F481-N485 WeakPolarHBondContact CD2-ND2 3.25Å; F481-N485 HydrophobicContact CE1-CB 4.46Å; F481-N485 WeakPolarHBondContact CE2-ND2 3.42Å; F481-N485 VanDerWaalsContact O-CB 3.32Å; F481-N485 WeakPolarHBondContact O-CB 3.26Å; F481-N485 PolarHBondContact O-N 3.48Å; F481-N485 PolarHBondContact O-ND2 3.04Å; F481-L487 HydrophobicContact CD1-CD1 4.31Å; F481-L487 HydrophobicContact CE1-CD1 3.85Å |
| 482 | C | 90.6 | Very high | 79 | Confident | 15 Ų | 15 | 76.2 Ų | 76.2 | 10% | 0.101 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 174.8 | -84.8 | 0 | 0 | 0 | 0 | 112.3 | F478 Q479 K480 G486 L487 | F478-C482 WeakPolarHBondContact O-CB 3.43Å; F478-C482 PolarHBondContact O-N 2.81Å; Q479-C482 PolarHBondContact O-N 3.29Å; K480-C482 VanDerWaalsContact C-N 3.31Å; K480-C482 PolarHBondContact O-N 3.42Å; C482-G486 PolarHBondContact O-N 3.48Å; C482-L487 HydrophobicContact CB-CB 4.43Å; C482-L487 PolarHBondContact O-N 3.34Å |
| 483 | S | 90.3 | Very high | 75.9 | Confident | 76 Ų | 76 | 72.4 Ų | 72.4 | 53% | 0.531 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.7 | -52.7 | 173.8 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | Q479 K480 N485 G486 | Q479-S483 PolarHBondContact O-N 3.25Å; Q479-S483 PolarHBondContact O-OG 2.75Å; K480-S483 PolarHBondContact O-N 3.08Å; S483-N485 PolarHBondContact O-N 3.18Å; S483-G486 PolarHBondContact O-N 3.38Å |
| 484 | D | 89.8 | Confident | 72.9 | Confident | 108 Ų | 108 | 76.1 Ų | 76.1 | 58% | 0.578 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.8 | -17.9 | -179 | -68.9 | -9.5 | 0 | 0 | 0 | 113.2 | K480 | K480-D484 WeakPolarHBondContact CE-OD2 3.45Å; K480-D484 WeakPolarHBondContact CG-OD2 3.48Å; K480-D484 WeakPolarHBondContact O-CB 3.4Å; K480-D484 VanDerWaalsContact O-CG 3.25Å; K480-D484 PolarHBondContact O-N 3.04Å |
| 485 | N | 85.6 | Confident | 70.2 | Confident | 43 Ų | 43 | 84.8 Ų | 84.8 | 23% | 0.23 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 5.2 | -177 | -64.3 | -82.8 | 0 | 0 | 0 | 114.6 | K437 F481 S483 L487 | K437-N485 VanDerWaalsContact CD-OD1 3.26Å; K437-N485 WeakPolarHBondContact CD-OD1 3.23Å; K437-N485 WeakPolarHBondContact CE-OD1 3.31Å; K437-N485 PolarHBondContact NZ-OD1 2.75Å; F481-N485 WeakPolarHBondContact CD2-ND2 3.25Å; F481-N485 HydrophobicContact CE1-CB 4.46Å; F481-N485 WeakPolarHBondContact CE2-ND2 3.42Å; F481-N485 VanDerWaalsContact O-CB 3.32Å; F481-N485 WeakPolarHBondContact O-CB 3.26Å; F481-N485 PolarHBondContact O-N 3.48Å; F481-N485 PolarHBondContact O-ND2 3.04Å; S483-N485 PolarHBondContact O-N 3.18Å; N485-L487 HydrophobicContact CB-CD1 4.13Å; N485-L487 HydrophobicContact CB-CG 4.11Å; N485-L487 PolarHBondContact O-N 2.84Å |
| 486 | G | 79.1 | Confident | 67.1 | Low | 63 Ų | 63 | 86.6 Ų | 86.6 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 22.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C482 S483 I488 | C482-G486 PolarHBondContact O-N 3.48Å; S483-G486 PolarHBondContact O-N 3.38Å; G486-I488 PolarHBondContact O-N 3.14Å |
| 487 | L | 71.5 | Confident | 64.3 | Low | 56 Ų | 56 | 91.3 Ų | 91.3 | 29% | 0.293 | 53% | 0.532 | S | S | . | . | trans | -85.2 | 27.8 | -178.8 | -64.2 | 173.1 | 0 | 0 | 0 | 112.6 | Y436 F481 C482 N485 N489 | Y436-L487 HydrophobicContact CD1-CD1 4.17Å; Y436-L487 HydrophobicContact CE1-CD1 3.98Å; Y436-L487 HydrophobicContact CE1-CD2 4.38Å; F481-L487 HydrophobicContact CD1-CD1 4.31Å; F481-L487 HydrophobicContact CE1-CD1 3.85Å; C482-L487 HydrophobicContact CB-CB 4.43Å; C482-L487 PolarHBondContact O-N 3.34Å; N485-L487 HydrophobicContact CB-CD1 4.13Å; N485-L487 HydrophobicContact CB-CG 4.11Å; N485-L487 PolarHBondContact O-N 2.84Å; L487-N489 PolarHBondContact O-N 2.95Å; L487-N489 VanDerWaalsContact O-N 3.1Å | ||
| 488 | I | 56.4 | Low | 61.3 | Low | 110 Ų | 110 | 96.6 Ų | 96.6 | 56% | 0.564 | 57% | 0.565 | S | S | * | * | trans | -82.9 | 86.7 | -178 | -45 | 177.2 | 0 | 0 | 0 | 108.4 | G486 N490 | G486-I488 PolarHBondContact O-N 3.14Å; I488-N490 PolarHBondContact O-N 3.18Å | ||
| 489 | N | 47.7 | Very low | 58.5 | Low | 108 Ų | 108 | 106.5 Ų | 106.5 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | trans | -66.3 | 125.9 | 170.4 | -72.3 | -17.7 | 0 | 0 | 0 | 109.3 | L487 T491 | L487-N489 PolarHBondContact O-N 2.95Å; L487-N489 VanDerWaalsContact O-N 3.1Å; N489-T491 PolarHBondContact O-N 3.29Å | ||
| 490 | N | 34.2 | Very low | 55.5 | Low | 157 Ų | 157 | 107.2 Ų | 107.2 | 84% | 0.84 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -73.9 | 60.2 | 173.6 | -70.9 | -17.3 | 0 | 0 | 0 | 111.4 | I488 | I488-N490 PolarHBondContact O-N 3.18Š|
| 491 | T | 35.3 | Very low | 52.6 | Low | 121 Ų | 121 | 106.9 Ų | 106.9 | 74% | 0.742 | 63% | 0.625 | S | S | * | * | trans | -130 | 27.4 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | N489 | N489-T491 PolarHBondContact O-N 3.29Š| ||
| 492 | S | 33.9 | Very low | 49.9 | Very low | 114 Ų | 114 | 113.6 Ų | 113.6 | 80% | 0.797 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -128.3 | 114.5 | 156.9 | -66.7 | 0 | 0 | 0 | 0 | 106.7 | S494 | S492-S494 PolarHBondContact O-N 3.49Š|
| 493 | A | 30.3 | Very low | 47.3 | Very low | 101 Ų | 101 | 118.5 Ų | 118.5 | 84% | 0.835 | 69% | 0.687 | S | S | * | * | trans | -76.9 | 106.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q495 | A493-Q495 PolarHBondContact O-N 3.29Š| ||
| 494 | S | 30.5 | Very low | 45 | Very low | 93 Ų | 93 | 122.6 Ų | 122.6 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | trans | 27.4 | 83.1 | 153.3 | -53.5 | 0 | 0 | 0 | 0 | 118.5 | S492 | S492-S494 PolarHBondContact O-N 3.49Š| ||
| 495 | Q | 39.1 | Very low | 42.4 | Very low | 181 Ų | 181 | 123.7 Ų | 123.7 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -102.2 | 65.4 | 148 | -78.1 | -170.7 | -11.8 | 0 | 0 | 109.7 | A493 | A493-Q495 PolarHBondContact O-N 3.29Š| ||
| 496 | S | 30 | Very low | 40.2 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | -153.4 | 67.8 | 169.6 | 66 | 0 | 0 | 0 | 0 | 109.1 | T498 | S496-T498 VanDerWaalsContact C-N 3.27Å; S496-T498 PolarHBondContact O-N 3.12Å | ||
| 497 | L | 35.6 | Very low | 38.2 | Very low | 170 Ų | 170 | 135 Ų | 135 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -79.9 | 69.4 | -175 | -90.5 | 156 | 0 | 0 | 0 | 112 | ||||
| 498 | T | 31.9 | Very low | 36.6 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -125.9 | 69.3 | 170.3 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | S496 | S496-T498 VanDerWaalsContact C-N 3.27Å; S496-T498 PolarHBondContact O-N 3.12Å | ||
| 499 | R | 36.1 | Very low | 35.7 | Very low | 233 Ų | 233 | 138.5 Ų | 138.5 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -140 | 127.5 | 166.7 | -172.9 | 174.5 | 173.1 | -179.3 | -4.2 | 109.2 | ||||
| 500 | P | 31.1 | Very low | 35.3 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -67.3 | 145.8 | -173.7 | 27.2 | -35.2 | 0 | 0 | 0 | 111.8 | ||||
| 501 | T | 32.2 | Very low | 35.4 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -66.8 | 143.7 | 165.7 | 45.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 502 | N | 36.9 | Very low | 35.5 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -128.5 | 121.2 | 151.2 | -170 | 14.9 | 0 | 0 | 0 | 107.2 | ||||
| 503 | N | 35.6 | Very low | 35.8 | Very low | 118 Ų | 118 | 139 Ų | 139 | 63% | 0.631 | 79% | 0.792 | S | S | * | * | trans | -76.2 | 143.5 | 178.6 | -69.8 | -20.1 | 0 | 0 | 0 | 109.2 | ||||
| 504 | N | 41.3 | Very low | 36.1 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -147.8 | 118.3 | 132.8 | -109.7 | -26.1 | 0 | 0 | 0 | 109.1 | ||||
| 505 | N | 36.7 | Very low | 36.4 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -70.5 | 143.3 | 174.5 | -66.4 | -26 | 0 | 0 | 0 | 109 | ||||
| 506 | N | 37.7 | Very low | 36.5 | Very low | 164 Ų | 164 | 141 Ų | 141 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | -154.3 | 122.9 | 125.6 | -104.2 | -27.3 | 0 | 0 | 0 | 110 | |||||
| 507 | H | 38.4 | Very low | 37.1 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -68.7 | 140.2 | 163.6 | -67.6 | -80.3 | 0 | 0 | 0 | 108.8 | ||||
| 508 | N | 38.4 | Very low | 37.4 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | -145.9 | 167 | 121.7 | -138.7 | -22.8 | 0 | 0 | 0 | 111 | |||||
| 509 | S | 37.5 | Very low | 37.7 | Very low | 81 Ų | 81 | 141.6 Ų | 141.6 | 57% | 0.566 | 78% | 0.782 | S | S | * | * | trans | -120.4 | 168.2 | -159.1 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 510 | N | 38 | Very low | 38.1 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | 70.3 | 158.2 | 165 | -54.5 | -28.7 | 0 | 0 | 0 | 117.2 | ||||
| 511 | G | 36.6 | Very low | 38.6 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | 126.9 | 78.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 512 | S | 38.1 | Very low | 38.9 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -86.7 | 164 | 173 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 513 | N | 39.2 | Very low | 39.1 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | 77.3 | 146.7 | 169 | -51.5 | -41.4 | 0 | 0 | 0 | 118 | ||||
| 514 | G | 36.2 | Very low | 39.2 | Very low | 72 Ų | 72 | 131.7 Ų | 131.7 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 129.7 | 42.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 515 | R | 38.4 | Very low | 39 | Very low | 230 Ų | 230 | 129.8 Ų | 129.8 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | 37.7 | 135.3 | 146.1 | -92.1 | -175.8 | 170.9 | 150 | -2.5 | 121.2 | ||||
| 516 | N | 39.8 | Very low | 39.1 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | trans | 92 | 110.9 | 134.5 | -71 | 9.3 | 0 | 0 | 0 | 122 | ||||
| 517 | H | 43.7 | Very low | 39.1 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 73% | 0.731 | 76% | 0.761 | S | S | * | * | trans | 85.9 | 135.9 | 130.5 | -66.5 | -50.6 | 0 | 0 | 0 | 122.7 | ||||
| 518 | N | 41.1 | Very low | 39 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | 79.4 | 86.9 | 151.6 | -58.4 | -8.7 | 0 | 0 | 0 | 120.5 | ||||
| 519 | S | 38.9 | Very low | 38.7 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 6 | 160.6 | 115.3 | -41.2 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 520 | P | 45.1 | Very low | 38.7 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | cis | -141.5 | -170.3 | -44 | 41.2 | -24.2 | 0 | 0 | 0 | 112.7 | ||||
| 521 | S | 41 | Very low | 38.5 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 131.7 | 140.7 | 133.3 | -158.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 522 | S | 39.3 | Very low | 38.4 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 67.8 | 151.3 | 154.6 | -58.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 523 | A | 40.5 | Very low | 38.1 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 60% | 0.595 | 77% | 0.768 | S | S | * | * | cis | -168.9 | 165.8 | -25.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 524 | N | 37.1 | Very low | 37.8 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 70.8 | 115.9 | 151.9 | -62 | -11.5 | 0 | 0 | 0 | 119.2 | ||||
| 525 | T | 38.3 | Very low | 37.7 | Very low | 122 Ų | 122 | 136 Ų | 136 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 75.9 | 140.1 | 104.5 | 64.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 526 | T | 38.9 | Very low | 37.8 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | -160.4 | 166 | -4.6 | 11.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 527 | P | 37 | Very low | 37.8 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -90.8 | 159.6 | -168.9 | 36.6 | -36.4 | 0 | 0 | 0 | 115.1 | ||||
| 528 | L | 35.8 | Very low | 37.3 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | trans | -137.4 | 159.9 | 161.3 | -96 | 171.5 | 0 | 0 | 0 | 111.2 | ||||
| 529 | R | 32.7 | Very low | 37 | Very low | 221 Ų | 221 | 134.2 Ų | 134.2 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -85.3 | 159.8 | 175.4 | -64.7 | 173.6 | 163.8 | 171.1 | -6.9 | 110.5 | ||||
| 530 | D | 36.5 | Very low | 36.9 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | -166.4 | -174.1 | 102.1 | -98.9 | -26.5 | 0 | 0 | 0 | 113.2 | |||||
| 531 | S | 34.4 | Very low | 36.4 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 60% | 0.601 | 79% | 0.785 | S | S | * | * | trans | -128.1 | 173.8 | -144.3 | -51.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 532 | N | 34 | Very low | 36 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | 77.2 | 128.9 | 173.5 | -50.6 | -24.2 | 0 | 0 | 0 | 114.7 | ||||
| 533 | A | 31.5 | Very low | 35.9 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | cis | 107.5 | 111 | 18.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 534 | L | 34 | Very low | 35.8 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 98% | 0.984 | 80% | 0.796 | S | S | * | * | trans | -149.4 | 177.3 | 154.3 | -141.8 | 67.7 | 0 | 0 | 0 | 109.4 | ||||
| 535 | S | 34.7 | Very low | 35.8 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -136.2 | 174.5 | -147.6 | -169.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 536 | Q | 39.5 | Very low | 35.7 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 81.7 | 148.9 | 173.6 | -52.5 | -179 | 82 | 0 | 0 | 115.2 | ||||
| 537 | Q | 39.5 | Very low | 35.5 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | cis | -146.2 | 175.2 | 5.9 | -140.1 | 170.1 | 43.5 | 0 | 0 | 112.4 | ||||
| 538 | N | 33 | Very low | 35.5 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -93.7 | 153.6 | -166.2 | -67.6 | -26.2 | 0 | 0 | 0 | 116.1 | ||||
| 539 | S | 35 | Very low | 35.7 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -158.2 | 153.5 | 141.8 | -82.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 540 | P | 38.1 | Very low | 35.8 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -94.8 | 159.7 | -156 | 36 | -36.9 | 0 | 0 | 0 | 116.3 | ||||
| 541 | I | 33 | Very low | 36 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -109.5 | 139.4 | 173.3 | -65.7 | 172.6 | 0 | 0 | 0 | 109.4 | I543 | I541-I543 HydrophobicContact CG2-CG1 4.03Š| ||
| 542 | V | 34.2 | Very low | 35.8 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -82.1 | 129 | 168.6 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 543 | I | 36.9 | Very low | 35.9 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -124.9 | 124.2 | 179.2 | -58.3 | -179.2 | 0 | 0 | 0 | 109.4 | I541 | I541-I543 HydrophobicContact CG2-CG1 4.03Š| ||
| 544 | I | 38.2 | Very low | 36.1 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -89 | 128.5 | 171.6 | -57.8 | 175.8 | 0 | 0 | 0 | 108.4 | ||||
| 545 | P | 36.7 | Very low | 36.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -88.3 | 114.9 | -172.9 | 32.5 | -33.5 | 0 | 0 | 0 | 113.1 | I547 | P545-I547 PolarHBondContact O-N 3.29Š| ||
| 546 | H | 37.3 | Very low | 36.1 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -73 | 125.1 | 165 | -76.8 | -83.1 | 0 | 0 | 0 | 111.1 | S548 | H546-S548 PolarHBondContact O-N 3.34Š| ||
| 547 | I | 34.6 | Very low | 35.8 | Very low | 172 Ų | 172 | 135 Ų | 135 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -74.5 | 116.7 | 179.6 | -54.6 | 170.1 | 0 | 0 | 0 | 109.3 | P545 | P545-I547 PolarHBondContact O-N 3.29Š| ||
| 548 | S | 35.9 | Very low | 35.8 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -126.1 | 124.1 | 170 | -76.9 | 0 | 0 | 0 | 0 | 110.4 | H546 N550 | H546-S548 PolarHBondContact O-N 3.34Å; S548-N550 PolarHBondContact O-N 3.34Å | ||
| 549 | S | 39.5 | Very low | 36 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 105.1 | -176.3 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | I551 | S549-I551 PolarHBondContact O-N 3.09Š| ||
| 550 | N | 35 | Very low | 36 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | -68.4 | 118.5 | 174.3 | -73.3 | -38 | 0 | 0 | 0 | 111.4 | S548 | S548-N550 PolarHBondContact O-N 3.34Š| ||
| 551 | I | 41.6 | Very low | 36 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -109.1 | 97.7 | 161.4 | -62.7 | 179.5 | 0 | 0 | 0 | 107.5 | S549 V553 | S549-I551 PolarHBondContact O-N 3.09Å; I551-V553 HydrophobicContact CG2-CG2 4.31Å | ||
| 552 | S | 30 | Very low | 36.3 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -71 | 128.2 | 174.1 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 553 | V | 36.2 | Very low | 36.4 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -127.6 | 123.7 | 168.6 | -149.6 | 0 | 0 | 0 | 0 | 108 | I551 T555 | I551-V553 HydrophobicContact CG2-CG2 4.31Å; V553-T555 PolarHBondContact O-N 3.1Å | ||
| 554 | S | 34.8 | Very low | 36.5 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -77.9 | 120 | -170 | 32.1 | 0 | 0 | 0 | 0 | 112.7 | V556 | S554-V556 PolarHBondContact O-N 3.44Š| ||
| 555 | T | 34 | Very low | 36.3 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -71.9 | 112.1 | 175.8 | -52.1 | 0 | 0 | 0 | 0 | 111 | V553 | V553-T555 PolarHBondContact O-N 3.1Š| ||
| 556 | V | 36.3 | Very low | 36.4 | Very low | 119 Ų | 119 | 142 Ų | 142 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -98.1 | 101.4 | 170.5 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | S554 K558 | S554-V556 PolarHBondContact O-N 3.44Å; V556-K558 PolarHBondContact O-N 3.2Å | ||
| 557 | S | 33.2 | Very low | 36.3 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -63.8 | 125.1 | 173.3 | -59.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 558 | K | 37.9 | Very low | 36.2 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -107.4 | 108.3 | 171.2 | -74.5 | -171.4 | 175.3 | -176.3 | 0 | 110.9 | V556 | V556-K558 PolarHBondContact O-N 3.2Š| ||
| 559 | T | 38.8 | Very low | 36.1 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -84.3 | 146.8 | 163.9 | 42.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 560 | F | 34.4 | Very low | 35.6 | Very low | 205 Ų | 205 | 140.3 Ų | 140.3 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | trans | -93.2 | 134.5 | 176.2 | -78.9 | -97.9 | 0 | 0 | 0 | 111.3 | ||||
| 561 | P | 38.4 | Very low | 35.7 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -103.2 | 177.8 | 146.1 | 33.8 | -26.1 | 0 | 0 | 0 | 111.4 | ||||
| 562 | K | 37.5 | Very low | 35.3 | Very low | 203 Ų | 203 | 136.9 Ų | 136.9 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -110.2 | 147.8 | -158.3 | -167.9 | 176.6 | 178.7 | -177.1 | 0 | 112.7 | ||||
| 563 | V | 38.3 | Very low | 35.8 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | trans | -73.9 | 162.6 | 177.9 | -137.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 564 | P | 38.7 | Very low | 35.5 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | -136.2 | 171.9 | 106.3 | 39.5 | -29.7 | 0 | 0 | 0 | 115.4 | |||||
| 565 | D | 33.5 | Very low | 35.6 | Very low | 141 Ų | 141 | 143 Ų | 143 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -71.4 | 154.8 | -159.9 | -50.6 | -86.4 | 0 | 0 | 0 | 118 | ||||
| 566 | L | 37.7 | Very low | 35.5 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -153.6 | 89.7 | 137.7 | -142.6 | 73.9 | 0 | 0 | 0 | 114.5 | ||||
| 567 | V | 35.4 | Very low | 35.3 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | 38.6 | 117.6 | 126.4 | -175.4 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 568 | V | 33.1 | Very low | 35.6 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | 67.8 | 122.3 | 151 | 171.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 569 | S | 33.1 | Very low | 35.2 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | -172.3 | 156.9 | 60.3 | -149.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 570 | N | 28.8 | Very low | 35 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | trans | -110.5 | 112.4 | 178.7 | -131.9 | 5.9 | 0 | 0 | 0 | 110.5 | ||||
| 571 | S | 37.8 | Very low | 35 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -147.9 | 132.5 | 168.3 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 572 | S | 32.5 | Very low | 34.7 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -91.8 | 135 | -179.8 | -50 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 573 | P | 41 | Very low | 34.9 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -94 | 144.8 | 155.5 | 33 | -28.8 | 0 | 0 | 0 | 111.3 | ||||
| 574 | R | 30.7 | Very low | 34.5 | Very low | 250 Ų | 250 | 135.6 Ų | 135.6 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -121 | 94.8 | -176.6 | 173.5 | -171.2 | 173.3 | -127.9 | 5.3 | 108.8 | ||||
| 575 | T | 35.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -138.1 | 83.2 | -169.4 | -44.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 576 | S | 33.5 | Very low | 34.5 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | 71.8 | 114 | 91.1 | 71.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 577 | L | 31 | Very low | 34.6 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 145.2 | 178.7 | -58.5 | 166.9 | 0 | 0 | 0 | 112.3 | ||
| 578 | P | 39.4 | Very low | 34.5 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 121.4 | 146.9 | 32.2 | -27.2 | 0 | 0 | 0 | 109.6 | ||
| 579 | V | 29.8 | Very low | 34.3 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 133.5 | 167.1 | 170.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 580 | V | 35 | Very low | 34.6 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -125.2 | 126.8 | 158.3 | 177.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 581 | S | 34.4 | Very low | 34.9 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 146.7 | -167.5 | -54.9 | 0 | 0 | 0 | 0 | 113 | ||
| 582 | S | 31.4 | Very low | 34.7 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 141.7 | 163.5 | 34.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 583 | P | 42 | Very low | 34.6 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 141.2 | 154.4 | 32.7 | -29.2 | 0 | 0 | 0 | 110.3 | ||
| 584 | K | 30.8 | Very low | 34.2 | Very low | 203 Ų | 203 | 139.8 Ų | 139.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 136.7 | 172.5 | -62.8 | 169.3 | 178.7 | 171.8 | 0 | 110 | ||
| 585 | S | 37.8 | Very low | 34.2 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -167.4 | 142.8 | 138.7 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 586 | S | 32.3 | Very low | 33.9 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -123.6 | -168 | 166.7 | -33.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 587 | P | 41.5 | Very low | 33.8 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | cis | -128.3 | 173.7 | -32.7 | 36.4 | -21.1 | 0 | 0 | 0 | 112.5 | ||||
| 588 | H | 32.3 | Very low | 34.1 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 168.4 | 129 | 143.6 | -104.9 | -118.1 | 0 | 0 | 0 | 108 | ||||
| 589 | L | 29.8 | Very low | 33.6 | Very low | 134 Ų | 134 | 136 Ų | 136 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | 74.9 | 93.3 | 64.2 | -76.2 | 168.2 | 0 | 0 | 0 | 115.5 | |||||
| 590 | V | 38.7 | Very low | 34.1 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 70% | 0.703 | 78% | 0.776 | S | S | * | * | trans | 36.8 | 143 | 138.6 | -108.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 591 | P | 35.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | -149.9 | 140.6 | 80.2 | 38.5 | -19.5 | 0 | 0 | 0 | 120 | |||||
| 592 | I | 33.3 | Very low | 34.3 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 8.4 | 112.1 | 135 | -72.4 | 172.2 | 0 | 0 | 0 | 120 | ||||
| 593 | T | 31.5 | Very low | 34.7 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | 74.8 | 154.6 | 125.4 | -50.3 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 594 | R | 32.5 | Very low | 34.5 | Very low | 235 Ų | 235 | 136.6 Ų | 136.6 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | 96.4 | 141 | 170.8 | -60 | -172.4 | -169.3 | -156.1 | 2.3 | 114.5 | ||||
| 595 | H | 29.7 | Very low | 35.1 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | cis | -160.1 | -162.2 | -9.8 | -172.1 | -106.5 | 0 | 0 | 0 | 109.1 | Q597 | H595-Q597 PolarHBondContact CE1-OE1 2.95Å; H595-Q597 VanDerWaalsContact CE1-OE1 3.29Å | ||
| 596 | C | 31.1 | Very low | 35.2 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | 85.1 | 115.1 | 173.4 | -53.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 597 | Q | 30.9 | Very low | 35.7 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | cis | 55.2 | 97.4 | 19.6 | -68.1 | -169.4 | -0.8 | 0 | 0 | 113.9 | H595 | H595-Q597 PolarHBondContact CE1-OE1 2.95Å; H595-Q597 VanDerWaalsContact CE1-OE1 3.29Å | ||
| 598 | S | 36.5 | Very low | 35.8 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -112.5 | 130.1 | 172.7 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 599 | L | 29.7 | Very low | 36.2 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | -57.2 | 156.5 | 173.6 | -83.5 | 37.5 | 0 | 0 | 0 | 112.9 | T601 | L599-T601 WeakPolarHBondContact CD2-OG1 3.48Š| ||
| 600 | P | 39 | Very low | 36.6 | Very low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | -100.4 | 155.8 | 121.9 | 32.5 | -33.1 | 0 | 0 | 0 | 110.2 | |||||
| 601 | T | 37.2 | Very low | 36.7 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | -148.2 | 135.9 | -172.5 | -74.2 | 0 | 0 | 0 | 0 | 113.9 | L599 | L599-T601 WeakPolarHBondContact CD2-OG1 3.48Š| ||
| 602 | A | 36.5 | Very low | 37 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 57% | 0.57 | 76% | 0.756 | S | S | * | * | trans | 79 | 150.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 603 | H | 40.3 | Very low | 37.1 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | 71.9 | 128.9 | 171.4 | -41.3 | -69.1 | 0 | 0 | 0 | 115.8 | ||||
| 604 | S | 38.9 | Very low | 37.5 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | cis | -152.2 | 173.1 | -3.3 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 605 | P | 42.6 | Very low | 37.4 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -109.3 | -173.8 | -151.7 | 42.4 | -38.5 | 0 | 0 | 0 | 117.4 | ||||
| 606 | T | 39.4 | Very low | 38 | Very low | 122 Ų | 122 | 144 Ų | 144 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 107.7 | 129.5 | 164.1 | -50.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 607 | Q | 42.2 | Very low | 38.4 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | cis | -153.9 | 172.6 | -17 | -114.1 | -163.9 | 67.2 | 0 | 0 | 110.1 | ||||
| 608 | P | 44.6 | Very low | 38.7 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | trans | -111.4 | 179 | -164.7 | 42.9 | -37.7 | 0 | 0 | 0 | 116.3 | ||||
| 609 | I | 40.4 | Very low | 38.9 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -156.2 | 130.4 | 153.9 | -110 | 155.8 | 0 | 0 | 0 | 112.9 | ||||
| 610 | N | 38.2 | Very low | 39.2 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 26.4 | 154 | 151.7 | -67.3 | -41.8 | 0 | 0 | 0 | 124.3 | ||||
| 611 | R | 40.4 | Very low | 39.2 | Very low | 219 Ų | 219 | 139.8 Ų | 139.8 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | cis | 179.9 | -163.4 | -23.3 | -142.4 | -179.5 | -175.2 | -165.3 | 2.2 | 108.5 | ||||
| 612 | P | 41.8 | Very low | 39.3 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | -85.3 | 148.6 | -89.5 | 29.2 | -10.6 | 0 | 0 | 0 | 114.9 | |||||
| 613 | N | 35.6 | Very low | 39.3 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | 71.5 | 118.9 | 63.5 | -85.4 | -15.9 | 0 | 0 | 0 | 117.7 | |||||
| 614 | F | 40 | Very low | 39.3 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -143.7 | 133.4 | 151.9 | -108.8 | -81.6 | 0 | 0 | 0 | 109.8 | ||||
| 615 | R | 31 | Very low | 39.1 | Very low | 228 Ų | 228 | 142.4 Ų | 142.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -164.7 | 115.3 | 179.5 | -172.6 | -170.6 | -160.7 | -166.6 | 7.7 | 113.3 | ||||
| 616 | I | 41 | Very low | 39.1 | Very low | 149 Ų | 149 | 144 Ų | 144 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -147.5 | 94.8 | 167.9 | -59 | -176.7 | 0 | 0 | 0 | 106.5 | ||||
| 617 | T | 39.8 | Very low | 39 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 68% | 0.681 | 80% | 0.804 | S | S | * | * | 49.2 | 113.2 | 97.4 | 60.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 618 | P | 38 | Very low | 38.7 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | trans | -91.7 | 146 | 174.6 | 35.6 | -33 | 0 | 0 | 0 | 113.1 | ||||
| 619 | S | 39.4 | Very low | 38.4 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -156.3 | 124.6 | 162.2 | -166.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 620 | S | 36.6 | Very low | 38.1 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 25.2 | 144.4 | 151.3 | -136.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 621 | A | 39 | Very low | 38.1 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 76.1 | 104.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 622 | A | 39.4 | Very low | 37.6 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | -157.8 | 167.2 | 128.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 623 | Q | 37.5 | Very low | 37.4 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -114.5 | 143.9 | -173.8 | -63 | 169.6 | -8.9 | 0 | 0 | 112.4 | ||||
| 624 | S | 39.3 | Very low | 37.6 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -162.6 | 144.4 | 143.2 | 29.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 625 | S | 35.8 | Very low | 37.7 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -67.4 | 168.6 | 171.6 | -44.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 626 | I | 41.8 | Very low | 38.2 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | -156.2 | 152.9 | 52 | -15.5 | 175.8 | 0 | 0 | 0 | 112.6 | |||||
| 627 | N | 36.9 | Very low | 38 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | 11.4 | 133.8 | 159.2 | -58.1 | -17.4 | 0 | 0 | 0 | 119.5 | ||||
| 628 | S | 36.5 | Very low | 37.7 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | -166.4 | 141.9 | 61.9 | -66.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 629 | K | 37.7 | Very low | 37.6 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 48.6 | 110.8 | 139.6 | -68.7 | -179.4 | 179.7 | 175.4 | 0 | 122.1 | ||||
| 630 | T | 33.8 | Very low | 37.2 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | 56.6 | 149.4 | 128.6 | 5.8 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 631 | V | 37.8 | Very low | 37.2 | Very low | 125 Ų | 125 | 133 Ų | 133 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | cis | -136.2 | 152.6 | 14.1 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 632 | N | 30.6 | Very low | 36.9 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -130 | 108.5 | 176.9 | -175.3 | 17.5 | 0 | 0 | 0 | 112.4 | ||||
| 633 | T | 38 | Very low | 36.7 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -145.2 | 111.9 | 170.6 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 634 | K | 39.5 | Very low | 36.7 | Very low | 206 Ų | 206 | 133.8 Ų | 133.8 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | trans | -128.2 | 96.7 | 160.3 | -78.8 | -173.5 | 177.1 | 179.2 | 0 | 109.2 | ||||
| 635 | T | 41.6 | Very low | 36.5 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | -85.2 | 136.5 | 169.3 | 40.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 636 | P | 41.3 | Very low | 36.6 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -73.6 | 135.8 | 170.6 | 30.5 | -32.9 | 0 | 0 | 0 | 110 | T638 | P636-T638 PolarHBondContact O-N 3.04Š| ||
| 637 | V | 37.5 | Very low | 36.5 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -84.9 | 101.1 | 173.6 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | V639 | V637-V639 PolarHBondContact O-N 2.57Š| ||
| 638 | T | 33.9 | Very low | 36.3 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | -67.4 | 121.5 | 168.7 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | P636 | P636-T638 PolarHBondContact O-N 3.04Š| ||
| 639 | V | 35.4 | Very low | 36.4 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -92.4 | 107 | 171.3 | -150 | 0 | 0 | 0 | 0 | 108.4 | V637 | V637-V639 PolarHBondContact O-N 2.57Š| ||
| 640 | C | 32.1 | Very low | 36.3 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | trans | -72.5 | 135.4 | 174.5 | -67 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 641 | V | 35.4 | Very low | 36.2 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -107.4 | 96.7 | 172.6 | -80.3 | 0 | 0 | 0 | 0 | 109.7 | T643 | V641-T643 PolarHBondContact O-N 3.36Š| ||
| 642 | D | 34 | Very low | 36.1 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | -73.2 | 108.2 | 179 | -75.8 | -36.6 | 0 | 0 | 0 | 111.4 | V644 | D642-V644 PolarHBondContact O-N 3.44Š| ||
| 643 | T | 34.4 | Very low | 36.1 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -84.1 | 90.6 | 178.5 | 30.3 | 0 | 0 | 0 | 0 | 111.6 | V641 | V641-T643 PolarHBondContact O-N 3.36Š| ||
| 644 | V | 37.2 | Very low | 35.7 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | trans | -99.5 | 80.3 | 175.4 | -74.5 | 0 | 0 | 0 | 0 | 113.1 | D642 S646 | D642-V644 PolarHBondContact O-N 3.44Å; V644-S646 PolarHBondContact O-N 2.98Å; V644-S646 VanDerWaalsContact O-N 3.12Å | ||
| 645 | T | 34.5 | Very low | 35.5 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | trans | -72.3 | 95.5 | 173.3 | -55.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 646 | S | 38.9 | Very low | 34.9 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -162.8 | 118 | 155 | -162 | 0 | 0 | 0 | 0 | 115.2 | V644 | V644-S646 PolarHBondContact O-N 2.98Å; V644-S646 VanDerWaalsContact O-N 3.12Å | ||
| 647 | R | 38.8 | Very low | 34.6 | Very low | 231 Ų | 231 | 127.6 Ų | 127.6 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | trans | 28.5 | 98.7 | 146.7 | -55.9 | -177.1 | -174.4 | -159.1 | 0.2 | 117.6 | S649 | R647-S649 PolarHBondContact O-N 2.99Š| ||
| 648 | F | 34 | Very low | 34.3 | Very low | 177 Ų | 177 | 127.1 Ų | 127.1 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -61.6 | 121 | 157.9 | -89.4 | -91 | 0 | 0 | 0 | 110.6 | ||||
| 649 | S | 37.9 | Very low | 34.6 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | -137.5 | 121.2 | 158.5 | 56 | 0 | 0 | 0 | 0 | 108.3 | R647 V651 | R647-S649 PolarHBondContact O-N 2.99Å; S649-V651 PolarHBondContact O-N 3.42Å | ||
| 650 | Y | 34.8 | Very low | 34.3 | Very low | 135 Ų | 135 | 128 Ų | 128 | 53% | 0.529 | 74% | 0.741 | S | S | . | * | trans | -71.5 | 102.9 | -168.7 | -91.3 | -95.9 | 0 | 0 | 0 | 112 | ||||
| 651 | V | 33.2 | Very low | 34.9 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 63% | 0.63 | 74% | 0.744 | S | S | * | * | trans | -130 | 90.1 | 159.9 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | S649 Q653 | S649-V651 PolarHBondContact O-N 3.42Å; V651-Q653 PolarHBondContact O-N 2.99Å | ||
| 652 | V | 35.4 | Very low | 34.9 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 47% | 0.473 | 75% | 0.749 | S | S | . | * | trans | -71.7 | 118.3 | 169.8 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 653 | Q | 31 | Very low | 34.9 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | trans | -149 | 75.1 | 170.9 | -168.9 | 153.5 | -23.4 | 0 | 0 | 111 | V651 T655 | V651-Q653 PolarHBondContact O-N 2.99Å; Q653-T655 PolarHBondContact O-N 3.37Å | ||
| 654 | S | 29.7 | Very low | 34.9 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -74.5 | 110.3 | 173.2 | -50 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 655 | T | 34.7 | Very low | 34.9 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -123.5 | 130.6 | 166.7 | 45.1 | 0 | 0 | 0 | 0 | 109.2 | Q653 | Q653-T655 PolarHBondContact O-N 3.37Š| ||
| 656 | T | 29.4 | Very low | 34.8 | Very low | 147 Ų | 147 | 128 Ų | 128 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | trans | -77.7 | 132.9 | -172.5 | 49 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 657 | A | 34.2 | Very low | 35.1 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | trans | -138.7 | 128 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 658 | S | 31.3 | Very low | 35.1 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | -92.3 | 125.5 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 659 | I | 39.3 | Very low | 35 | Very low | 155 Ų | 155 | 120.5 Ų | 120.5 | 80% | 0.795 | 74% | 0.739 | S | S | * | * | trans | -137.6 | 124.9 | 166.4 | -58.9 | -178.4 | 0 | 0 | 0 | 107.3 | ||||
| 660 | S | 30.4 | Very low | 35.1 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -112.9 | 130.5 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 661 | P | 44.6 | Very low | 35 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -111.3 | 110.1 | 172.3 | 34.5 | -23.3 | 0 | 0 | 0 | 111.7 | ||||
| 662 | N | 35.8 | Very low | 35.2 | Very low | 162 Ų | 162 | 122 Ų | 122 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -148.2 | 104.9 | 165.6 | -105.4 | -9.3 | 0 | 0 | 0 | 108.7 | ||||
| 663 | S | 34 | Very low | 35.2 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -171.8 | 122.6 | 152.6 | -164.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 664 | L | 34 | Very low | 35.5 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 28.4 | 124.9 | 142.2 | -57.3 | 170.5 | 0 | 0 | 0 | 121.1 | V666 | L664-V666 HydrophobicContact CD2-CG2 4.26Š| ||
| 665 | V | 36.3 | Very low | 35.8 | Very low | 146 Ų | 146 | 129 Ų | 129 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | -132.2 | 131.9 | 126.9 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 666 | V | 33.5 | Very low | 36 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 64% | 0.642 | 77% | 0.773 | S | S | * | * | trans | -127.8 | 129.7 | 175.4 | 174.8 | 0 | 0 | 0 | 0 | 108.7 | L664 | L664-V666 HydrophobicContact CD2-CG2 4.26Š| ||
| 667 | P | 44 | Very low | 36.4 | Very low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 132.2 | 164.6 | 33.6 | -28.1 | 0 | 0 | 0 | 111 | ||
| 668 | V | 39.3 | Very low | 36.6 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 157.5 | 176.5 | 161.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 669 | A | 31.5 | Very low | 36.7 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -66 | 158 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 670 | T | 41 | Very low | 36.4 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | trans | -136.3 | 146.2 | 136.4 | 28.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 671 | S | 32.3 | Very low | 36.8 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -96.1 | 172.2 | 179.5 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 672 | T | 36.9 | Very low | 36.6 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 141.9 | 103.1 | 137.5 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 673 | F | 36.6 | Very low | 36.3 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | 59.8 | 125.9 | 151 | -72.7 | -110.9 | 0 | 0 | 0 | 121.8 | ||||
| 674 | Q | 37.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | 37.3 | 138.8 | 124.8 | -57 | 177.2 | -6.1 | 0 | 0 | 119.5 | |||||
| 675 | N | 35.7 | Very low | 36.2 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | cis | -157.9 | 158.1 | 25.2 | -149.2 | -3.2 | 0 | 0 | 0 | 114.8 | ||||
| 676 | S | 38 | Very low | 36.1 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | trans | 43.8 | 112 | 148.1 | 60.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 677 | Q | 38.4 | Very low | 36.1 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | 87.7 | 120.7 | 132.3 | -58.9 | -69.8 | 24.6 | 0 | 0 | 123.9 | ||||
| 678 | L | 37.5 | Very low | 35.6 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | trans | 72.7 | 104 | 136.9 | -65.2 | 166.1 | 0 | 0 | 0 | 123.4 | ||||
| 679 | N | 33.4 | Very low | 35.5 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | 76.3 | 101.6 | 128.1 | -77.4 | -23.1 | 0 | 0 | 0 | 123.4 | |||||
| 680 | R | 34.5 | Very low | 35.6 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | 82.2 | 150.9 | 127.3 | -68.9 | -173.1 | 166.2 | -137.6 | -1.2 | 121.3 | |||||
| 681 | T | 38.6 | Very low | 35.4 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | 82.6 | 164.2 | 166 | 84.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 682 | P | 39.7 | Very low | 35.4 | Very low | 110 Ų | 110 | 146.3 Ų | 146.3 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | -138.3 | -175.8 | -105.6 | 33.9 | -9.6 | 0 | 0 | 0 | 115.9 | |||||
| 683 | V | 30.8 | Very low | 35.6 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 29 | 117.7 | 150.9 | 177.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 684 | L | 34.6 | Very low | 35.5 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | -158 | 170.3 | 129.3 | -112.9 | 171.1 | 0 | 0 | 0 | 112.1 | |||||
| 685 | Q | 31 | Very low | 35.6 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -87 | 165.9 | -177.2 | -63.6 | 153.5 | -103.3 | 0 | 0 | 111.9 | ||||
| 686 | N | 33.7 | Very low | 36.2 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -148.7 | 139.5 | 144.3 | -106.8 | -19.8 | 0 | 0 | 0 | 112.5 | ||||
| 687 | E | 33.8 | Very low | 36.3 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -80.3 | 167.4 | 164.1 | -78.8 | -173.7 | 123.6 | 0 | 0 | 109.9 | ||||
| 688 | A | 34 | Very low | 36.5 | Very low | 84 Ų | 84 | 141.5 Ų | 141.5 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | cis | -169.6 | -137.9 | -19.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 689 | I | 35.4 | Very low | 36.6 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 89.4 | 91.6 | 161 | -51.8 | -178.6 | 0 | 0 | 0 | 118.2 | ||||
| 690 | I | 33.8 | Very low | 36.6 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | 51.7 | 119.4 | 127.4 | -55.5 | 167.9 | 0 | 0 | 0 | 120.1 | |||||
| 691 | G | 37.9 | Very low | 36.5 | Very low | 75 Ų | 75 | 143.3 Ų | 143.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -149 | 137.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 692 | R | 31.7 | Very low | 36.3 | Very low | 239 Ų | 239 | 144 Ų | 144 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -133.2 | 130.7 | -179.2 | -76.3 | -177.4 | 173.9 | 179.8 | -1.3 | 111.8 | ||||
| 693 | T | 40.4 | Very low | 36.1 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | -143.3 | 164 | 159.6 | 52 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 694 | A | 36.4 | Very low | 36.1 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -154 | 177.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 695 | N | 38 | Very low | 36 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | 78.5 | 158.2 | 167.6 | -71 | -17.6 | 0 | 0 | 0 | 118.6 | ||||
| 696 | P | 48.4 | Very low | 36 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | cis | -145 | 163.2 | -42.7 | 39.9 | -23.8 | 0 | 0 | 0 | 116.8 | ||||
| 697 | G | 40.7 | Very low | 36.2 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 84.2 | 164.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 698 | V | 42.1 | Very low | 36.6 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | cis | -159.3 | 169.2 | -7.3 | -156.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 699 | P | 39.3 | Very low | 36.8 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | -113.4 | 159 | -68.3 | 38.8 | -25.2 | 0 | 0 | 0 | 116.5 | |||||
| 700 | L | 33.3 | Very low | 37.2 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | 14.8 | 127.7 | 143.9 | -55.7 | 174.7 | 0 | 0 | 0 | 122.1 | ||||
| 701 | R | 32.6 | Very low | 37.3 | Very low | 243 Ų | 243 | 132.5 Ų | 132.5 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | -153.1 | 110.5 | 113.6 | -162.3 | 174.9 | -166.7 | 163.4 | 5.6 | 111.6 | |||||
| 702 | L | 35 | Very low | 37.4 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | trans | -136.2 | 126.6 | 178.8 | -142.7 | 164.9 | 0 | 0 | 0 | 108.3 | ||||
| 703 | V | 34.9 | Very low | 37.7 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | trans | -100.5 | 114.2 | 179.1 | 178.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 704 | S | 30.4 | Very low | 37.7 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -151.6 | 125 | 167.5 | -73.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 705 | S | 33.3 | Very low | 37.6 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -151.8 | 76.9 | -172.8 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 706 | S | 30.9 | Very low | 37.7 | Very low | 126 Ų | 126 | 132 Ų | 132 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | -77.5 | 129.3 | 151 | 50 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 707 | S | 39 | Very low | 37.1 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -145.5 | 153.8 | 170 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 708 | S | 41.5 | Very low | 37.1 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | -110.4 | 152 | -165.1 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 709 | N | 37.2 | Very low | 36.9 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | 21.5 | 138.3 | 132.4 | -63.7 | 4.4 | 0 | 0 | 0 | 118.3 | ||||
| 710 | P | 44.4 | Very low | 37 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | -143.5 | 179.5 | 70.9 | 39.1 | -21.1 | 0 | 0 | 0 | 117.8 | |||||
| 711 | A | 37 | Very low | 37.2 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -73.5 | 167.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 712 | T | 38.6 | Very low | 37.5 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | -152.7 | 141.8 | 128.8 | -74.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 713 | T | 38.6 | Very low | 37.7 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | trans | -59.6 | 150 | -178.4 | -53.6 | 0 | 0 | 0 | 0 | 116.2 | L715 | T713-L715 HydrophobicContact CG2-CD1 4.46Š| ||
| 714 | I | 39.3 | Very low | 37.7 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | -162.1 | 146.4 | 128.3 | -102.2 | 158.4 | 0 | 0 | 0 | 110.6 | |||||
| 715 | L | 35.9 | Very low | 38.3 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 71% | 0.707 | 80% | 0.798 | S | S | * | * | trans | -94 | 162.2 | -177.7 | -68.5 | 110.5 | 0 | 0 | 0 | 112.7 | T713 | T713-L715 HydrophobicContact CG2-CD1 4.46Š| ||
| 716 | V | 38.5 | Very low | 38.5 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | -167 | 144.5 | 112.3 | 142.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 717 | S | 37 | Very low | 38.8 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -100.2 | 157.1 | -166.8 | -46.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 718 | K | 40.9 | Very low | 38.8 | Very low | 221 Ų | 221 | 140.9 Ų | 140.9 | 96% | 0.961 | 80% | 0.802 | S | S | * | * | trans | -147.6 | 139.9 | 143 | -118.5 | 173.4 | -176.2 | 177.2 | 0 | 109.9 | ||||
| 719 | A | 36.1 | Very low | 38.3 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -134.2 | 154.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 720 | V | 43 | Very low | 38.4 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -136.8 | 139.4 | 159.5 | 178.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 721 | Q | 37.5 | Very low | 37.8 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -89 | 159.2 | -173.7 | -121.6 | 125.5 | -46.7 | 0 | 0 | 112.6 | ||||
| 722 | L | 39.1 | Very low | 37.9 | Very low | 145 Ų | 145 | 143 Ų | 143 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | 176.9 | 139.9 | 106 | -89.3 | 170.6 | 0 | 0 | 0 | 112.2 | |||||
| 723 | N | 37.9 | Very low | 37.8 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | 46.1 | 111 | 150.6 | -64.3 | 13 | 0 | 0 | 0 | 119.4 | ||||
| 724 | S | 36.1 | Very low | 37.9 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | 66.8 | 132.5 | 79.1 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 725 | E | 42 | Very low | 38 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | cis | -133.6 | -168.9 | 47.5 | -66.3 | -175.8 | 92.5 | 0 | 0 | 116.4 | ||||
| 726 | Q | 37.9 | Very low | 38 | Very low | 202 Ų | 202 | 140.5 Ų | 140.5 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | trans | -86.4 | 160.8 | -175 | -55.3 | 171.7 | 8.2 | 0 | 0 | 111.8 | ||||
| 727 | G | 37.1 | Very low | 37.9 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | cis | 163.1 | -156.3 | -1.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 728 | K | 38.7 | Very low | 38 | Very low | 223 Ų | 223 | 146.7 Ų | 146.7 | 97% | 0.97 | 81% | 0.814 | S | S | * | * | trans | 73.2 | 130.8 | -177.1 | -61.5 | -178 | 178.5 | 176.5 | 0 | 116 | ||||
| 729 | S | 32.2 | Very low | 37.7 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -133.2 | 144.5 | -178 | 173.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 730 | T | 37.8 | Very low | 37.7 | Very low | 137 Ų | 137 | 153 Ų | 153 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -139.9 | 126.5 | 163.6 | -60 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 731 | V | 33 | Very low | 37.4 | Very low | 119 Ų | 119 | 150 Ų | 150 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | -105 | 143.6 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 732 | I | 38.8 | Very low | 37.2 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 82% | 0.821 | 81% | 0.809 | S | S | * | * | trans | -163.1 | 154.1 | 154 | -104 | 146.7 | 0 | 0 | 0 | 110.5 | ||||
| 733 | N | 37.2 | Very low | 37.3 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | -73.6 | 155.8 | -171.8 | -67.7 | -52.4 | 0 | 0 | 0 | 114.8 | ||||
| 734 | P | 40.4 | Very low | 37 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -77.7 | 131.6 | 161.6 | 32.7 | -32.2 | 0 | 0 | 0 | 111.4 | ||||
| 735 | V | 40.4 | Very low | 36.9 | Very low | 143 Ų | 143 | 153 Ų | 153 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -128 | 146.2 | 170.1 | 174.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 736 | A | 35.4 | Very low | 36.5 | Very low | 92 Ų | 92 | 152.4 Ų | 152.4 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -92.9 | 136.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 737 | M | 38.1 | Very low | 36.2 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -142.8 | 123.5 | 150.1 | -80.1 | -144.7 | 177.3 | 0 | 0 | 107.8 | ||||
| 738 | K | 38.8 | Very low | 36.2 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | 91.4 | 118.6 | 70.2 | -165.4 | 175.2 | -176 | 179.2 | 0 | 110.8 | |||||
| 739 | R | 34 | Very low | 36 | Very low | 245 Ų | 245 | 147.8 Ų | 147.8 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -74.4 | 151.4 | -178 | -79.6 | -178.7 | 163.4 | -156.5 | -3.1 | 112.5 | ||||
| 740 | Q | 36.4 | Very low | 36.2 | Very low | 199 Ų | 199 | 151.5 Ų | 151.5 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -138.8 | 170.9 | 156.9 | -114.3 | 171.7 | -17.4 | 0 | 0 | 109.9 | ||||
| 741 | S | 36 | Very low | 36.1 | Very low | 82 Ų | 82 | 149.4 Ų | 149.4 | 57% | 0.573 | 80% | 0.803 | S | S | * | * | trans | -145.9 | -171.8 | -158.2 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 742 | Y | 33.8 | Very low | 36.5 | Very low | 216 Ų | 216 | 149.8 Ų | 149.8 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | 84.6 | 161.6 | 170.6 | -50.4 | -68.2 | 0 | 0 | 0 | 116.5 | ||||
| 743 | P | 41.1 | Very low | 36.4 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | cis | -123.1 | 179.6 | -5.1 | 20.7 | 2.9 | 0 | 0 | 0 | 115.2 | ||||
| 744 | H | 31.4 | Very low | 36.5 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -131.1 | 143.4 | 166.3 | 166.2 | 86.5 | 0 | 0 | 0 | 108.6 | ||||
| 745 | C | 33.8 | Very low | 36.3 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -135.2 | 159 | 179.8 | -77.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 746 | Q | 34.2 | Very low | 36.2 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -115.4 | 177.4 | -164.6 | -68.7 | -175.8 | -27.9 | 0 | 0 | 114.9 | ||||
| 747 | S | 32.2 | Very low | 36.1 | Very low | 114 Ų | 114 | 153.2 Ų | 153.2 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -73.6 | 158.9 | -168.7 | 54.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 748 | S | 36.1 | Very low | 36.1 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -153 | -171.9 | 138.7 | -156.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 749 | Q | 34.8 | Very low | 36 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -119.6 | 176.4 | -150.9 | -50.5 | 177.4 | 8.3 | 0 | 0 | 117.3 | ||||
| 750 | Q | 36.5 | Very low | 36.1 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | 93.8 | 162.9 | 155.8 | -64 | 178.9 | 13.6 | 0 | 0 | 120.2 | ||||
| 751 | A | 35.4 | Very low | 36.1 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -145.5 | -173 | -161.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 752 | P | 42.4 | Very low | 36.2 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | cis | -142.8 | -147.8 | 16.2 | 44.9 | -21.8 | 0 | 0 | 0 | 116.6 | ||||
| 753 | T | 36.2 | Very low | 36.4 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -86.5 | 156.2 | -155.7 | -40.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 754 | A | 39.7 | Very low | 36.3 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -145.5 | 170.2 | 153 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 755 | Q | 34.8 | Very low | 36.3 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -134.2 | 153.5 | -172.8 | -68.6 | -169.3 | 1.2 | 0 | 0 | 115.7 | ||||
| 756 | I | 38.8 | Very low | 36.5 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -175.7 | 146.1 | 142.1 | -100.5 | 158.2 | 0 | 0 | 0 | 107.9 | ||||
| 757 | K | 34.2 | Very low | 36.3 | Very low | 166 Ų | 166 | 140 Ų | 140 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | 119.2 | 151 | -5.4 | -163.8 | 178 | 176.3 | -173 | 0 | 114.7 | ||||
| 758 | V | 37.9 | Very low | 36.5 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | trans | 83.8 | 112.8 | 175 | -37.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 759 | N | 35.7 | Very low | 36.3 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | 92 | 148.5 | 78.9 | -82.7 | 52.8 | 0 | 0 | 0 | 112.3 | |||||
| 760 | D | 36.4 | Very low | 36.5 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | cis | -171.6 | 176.3 | -13.4 | -174.3 | 16.7 | 0 | 0 | 0 | 109.1 | ||||
| 761 | L | 37.3 | Very low | 36.4 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 75.4 | 147 | 156.6 | -122.7 | 73.9 | 0 | 0 | 0 | 120.9 | ||||
| 762 | G | 38.3 | Very low | 36.3 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | 136 | 90.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 763 | K | 36.8 | Very low | 36.6 | Very low | 216 Ų | 216 | 139.9 Ų | 139.9 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -106.6 | 143.5 | 169.3 | -64.2 | 177.2 | -178.6 | 175.7 | 0 | 110.8 | ||||
| 764 | S | 39.6 | Very low | 36.7 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -158.3 | 155.2 | 143.2 | -162.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 765 | M | 30.5 | Very low | 37.1 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -82.4 | 159.3 | 169.8 | -72.1 | 156.2 | 43.2 | 0 | 0 | 111.3 | ||||
| 766 | I | 38 | Very low | 37.2 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | -155 | 147.2 | 122.1 | -98.2 | 148.2 | 0 | 0 | 0 | 107.6 | V768 | I766-V768 HydrophobicContact CG2-CG2 4.39Š| |||
| 767 | S | 29.6 | Very low | 37.2 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -118.8 | 131.3 | 179 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 768 | V | 37 | Very low | 38.1 | Very low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -139.7 | 137.6 | 164.8 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | I766 | I766-V768 HydrophobicContact CG2-CG2 4.39Š| ||
| 769 | S | 32.5 | Very low | 38.1 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | -126.4 | 116.2 | -171.3 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 770 | D | 38 | Very low | 38.3 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -162.7 | 152.3 | 166.1 | -87.4 | -47.7 | 0 | 0 | 0 | 107.2 | ||||
| 771 | G | 35.4 | Very low | 38.8 | Very low | 63 Ų | 63 | 138.8 Ų | 138.8 | 65% | 0.649 | 82% | 0.824 | S | S | * | * | cis | -179.9 | 125.5 | -7.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 772 | F | 34.2 | Very low | 38.7 | Very low | 218 Ų | 218 | 135.7 Ų | 135.7 | 96% | 0.956 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 129.1 | -171.8 | -100.3 | -81.4 | 0 | 0 | 0 | 113.6 | ||
| 773 | P | 46.8 | Very low | 39 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 140.5 | 160.9 | 34.7 | -29 | 0 | 0 | 0 | 112.6 | ||
| 774 | K | 39.4 | Very low | 38.9 | Very low | 196 Ų | 196 | 137.6 Ų | 137.6 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 148.8 | 167.7 | -68.8 | 177.1 | 179 | 173.9 | 0 | 110.5 | ||
| 775 | P | 47.4 | Very low | 39 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 147.2 | 165.1 | 32.7 | -33.2 | 0 | 0 | 0 | 111.7 | ||
| 776 | C | 36.8 | Very low | 39.3 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 162.8 | -176.2 | -64.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 777 | A | 40.3 | Very low | 39.3 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 155.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 778 | P | 51.8 | Low | 39.6 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 149.7 | 177.6 | 33.6 | -34.6 | 0 | 0 | 0 | 113.2 | ||
| 779 | N | 38.9 | Very low | 39.7 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 158.5 | -179.6 | -75.5 | -38.4 | 0 | 0 | 0 | 113.8 | ||
| 780 | V | 40.1 | Very low | 40.1 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -123.4 | 130.8 | 161.9 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 781 | P | 46.5 | Very low | 40 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -82.4 | 145.3 | 177.2 | 33.1 | -34 | 0 | 0 | 0 | 112.3 | ||||
| 782 | S | 35.7 | Very low | 39.9 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -101.3 | 153.6 | 180 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 783 | N | 43.5 | Very low | 40 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -151 | 153.5 | 148.3 | -103.8 | -36.2 | 0 | 0 | 0 | 112.5 | ||||
| 784 | F | 35.3 | Very low | 39.4 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | trans | -93.1 | -175.1 | -172.2 | -81.5 | -99 | 0 | 0 | 0 | 112.1 | H786 | F784-H786 HydrophobicContact CD1-CB 4.29Š| ||
| 785 | P | 41.7 | Very low | 39.1 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | cis | -114.1 | 161.3 | -7.2 | 13.5 | 11.8 | 0 | 0 | 0 | 112.7 | ||||
| 786 | H | 35.9 | Very low | 38.4 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 68% | 0.676 | 76% | 0.756 | S | S | * | * | cis | 76.7 | 96.8 | 47.5 | -159.8 | -60.4 | 0 | 0 | 0 | 114.8 | F784 | F784-H786 HydrophobicContact CD1-CB 4.29Š| ||
| 787 | D | 39.1 | Very low | 38.4 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -145 | 157.3 | 151.9 | -149.9 | -19.7 | 0 | 0 | 0 | 109.6 | ||||
| 788 | S | 35.6 | Very low | 38.1 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 52% | 0.524 | 76% | 0.76 | S | S | . | * | trans | -153.2 | 137.4 | -156.3 | 62.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 789 | N | 38.8 | Very low | 37.4 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -163.2 | 127.9 | 144.3 | -105.1 | -54.1 | 0 | 0 | 0 | 114.1 | ||||
| 790 | K | 39.9 | Very low | 37.3 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | 28.1 | 146.9 | 129.6 | -67.4 | 179.8 | -176.1 | 173.7 | 0 | 120.8 | |||||
| 791 | F | 36.1 | Very low | 37.3 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | cis | 179.9 | 119.3 | -6.4 | 164.7 | -97.3 | 0 | 0 | 0 | 109.7 | ||||
| 792 | N | 35.2 | Very low | 37.3 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -177.1 | 160 | 130.7 | -115.2 | -45 | 0 | 0 | 0 | 115.7 | ||||
| 793 | Q | 35 | Very low | 38.2 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -78.8 | 176.5 | 171.8 | -54.5 | 175.1 | 8.8 | 0 | 0 | 110.6 | ||||
| 794 | Q | 34.2 | Very low | 39.5 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | cis | -155.9 | 171.9 | 3.2 | -140.2 | 176.4 | 58.9 | 0 | 0 | 105.6 | ||||
| 795 | I | 33.6 | Very low | 41.6 | Very low | 132 Ų | 132 | 129 Ų | 129 | 68% | 0.677 | 73% | 0.728 | S | S | * | * | cis | -141.8 | 161.3 | 8.5 | -37.9 | 165.6 | 0 | 0 | 0 | 107.4 | ||||
| 796 | A | 32.4 | Very low | 43.3 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -135.9 | 126.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 797 | H | 37.2 | Very low | 45.4 | Very low | 181 Ų | 181 | 127 Ų | 127 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | trans | -88.5 | 121.5 | 171.8 | -74.5 | -93.6 | 0 | 0 | 0 | 110.4 | ||||
| 798 | Q | 33.6 | Very low | 47.4 | Very low | 185 Ų | 185 | 123.7 Ų | 123.7 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | trans | -112.4 | 119.5 | 166 | -69.6 | -173.1 | 55.8 | 0 | 0 | 109.6 | ||||
| 799 | S | 37.4 | Very low | 49.4 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 90% | 0.902 | 69% | 0.691 | S | S | * | * | trans | -95.3 | 99.4 | 168 | -66 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 800 | A | 36.5 | Very low | 51.4 | Low | 92 Ų | 92 | 120.7 Ų | 120.7 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | trans | -81.5 | 130.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V802 | A800-V802 PolarHBondContact O-N 2.97Š| ||
| 801 | A | 39.6 | Very low | 53.2 | Low | 104 Ų | 104 | 117.9 Ų | 117.9 | 86% | 0.86 | 67% | 0.665 | S | S | * | * | trans | -76.6 | 113.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A803 | A801-A803 PolarHBondContact O-N 2.87Š| ||
| 802 | V | 47.9 | Very low | 55.1 | Low | 134 Ų | 134 | 115.2 Ų | 115.2 | 81% | 0.812 | 66% | 0.657 | S | S | * | * | trans | -77 | 113.9 | 173.8 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | A800 | A800-V802 PolarHBondContact O-N 2.97Š| ||
| 803 | A | 53.6 | Low | 56.8 | Low | 92 Ų | 92 | 114.4 Ų | 114.4 | 76% | 0.76 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 127.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A801 | A801-A803 PolarHBondContact O-N 2.87Š|
| 804 | L | 70.1 | Confident | 58.6 | Low | 94 Ų | 94 | 114.2 Ų | 114.2 | 49% | 0.492 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 143.4 | 172.8 | -65.2 | 174.9 | 0 | 0 | 0 | 110.4 | Q808 I809 L812 | L804-Q808 HydrophobicContact CB-CB 4.28Å; L804-I809 HydrophobicContact CB-CG1 4.43Å; L804-L812 HydrophobicContact CD1-CD1 4.33Å |
| 805 | S | 80.8 | Confident | 60.3 | Low | 56 Ų | 56 | 116.4 Ų | 116.4 | 39% | 0.392 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -72.5 | 156.8 | 174.7 | 84.5 | 0 | 0 | 0 | 0 | 111.1 | Q807 Q808 I809 | S805-Q807 PolarHBondContact O-N 3.34Å; S805-Q807 VanDerWaalsContact O-N 3.14Å; S805-Q807 PolarHBondContact OG-N 3.18Å; S805-Q808 WeakPolarHBondContact O-CB 3.45Å; S805-Q808 PolarHBondContact O-N 3.31Å; S805-I809 PolarHBondContact O-N 2.94Å |
| 806 | S | 76.2 | Confident | 61.4 | Low | 84 Ų | 84 | 113 Ų | 113 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -52.4 | -39.1 | 176.5 | -162.1 | 0 | 0 | 0 | 0 | 111.8 | Q808 I809 D810 | S806-Q808 VanDerWaalsContact C-N 3.28Å; S806-Q808 PolarHBondContact O-N 3.48Å; S806-I809 WeakPolarHBondContact O-CA 3.47Å; S806-I809 WeakPolarHBondContact O-CB 3.3Å; S806-I809 PolarHBondContact O-N 3.08Å; S806-D810 VanDerWaalsContact O-CG 3.24Å; S806-D810 PolarHBondContact O-N 3.45Å; S806-D810 VanDerWaalsContact O-OD2 3.09Å |
| 807 | Q | 81 | Confident | 62.5 | Low | 138 Ų | 138 | 115.2 Ų | 115.2 | 65% | 0.645 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.7 | -27.5 | -179.7 | -157.1 | 175.8 | 26.7 | 0 | 0 | 113.3 | S805 Q811 | S805-Q807 PolarHBondContact O-N 3.34Å; S805-Q807 VanDerWaalsContact O-N 3.14Å; S805-Q807 PolarHBondContact OG-N 3.18Å; Q807-Q811 VanDerWaalsContact O-CG 3.3Å; Q807-Q811 WeakPolarHBondContact O-CG 3.36Å; Q807-Q811 PolarHBondContact O-N 3.05Å |
| 808 | Q | 80.4 | Confident | 63.3 | Low | 89 Ų | 89 | 110.9 Ų | 110.9 | 42% | 0.416 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -77.9 | -34 | 172.4 | -64.5 | 174.5 | -68.8 | 0 | 0 | 111.6 | L804 S805 S806 L812 | L804-Q808 HydrophobicContact CB-CB 4.28Å; S805-Q808 WeakPolarHBondContact O-CB 3.45Å; S805-Q808 PolarHBondContact O-N 3.31Å; S806-Q808 VanDerWaalsContact C-N 3.28Å; S806-Q808 PolarHBondContact O-N 3.48Å; Q808-L812 WeakPolarHBondContact O-CG 3.5Å; Q808-L812 PolarHBondContact O-N 3.39Å; Q808-L812 VanDerWaalsContact O-N 3.08Å |
| 809 | I | 78.8 | Confident | 64 | Low | 74 Ų | 74 | 106.7 Ų | 106.7 | 38% | 0.379 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.6 | -45.6 | 173.8 | -61.2 | 171.1 | 0 | 0 | 0 | 109.9 | L804 S805 S806 Q811 L812 Q813 | L804-I809 HydrophobicContact CB-CG1 4.43Å; S805-I809 PolarHBondContact O-N 2.94Å; S806-I809 WeakPolarHBondContact O-CA 3.47Å; S806-I809 WeakPolarHBondContact O-CB 3.3Å; S806-I809 PolarHBondContact O-N 3.08Å; I809-Q811 PolarHBondContact O-N 2.64Å; I809-L812 PolarHBondContact O-N 2.97Å; I809-Q813 WeakPolarHBondContact O-CG 3.46Å; I809-Q813 PolarHBondContact O-N 3.2Å |
| 810 | D | 80.8 | Confident | 64.2 | Low | 80 Ų | 80 | 106.4 Ų | 106.4 | 43% | 0.428 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.2 | -42.2 | 176.7 | -63.8 | -37.1 | 0 | 0 | 0 | 111.5 | S806 L812 Q813 H814 | S806-D810 VanDerWaalsContact O-CG 3.24Å; S806-D810 PolarHBondContact O-N 3.45Å; S806-D810 VanDerWaalsContact O-OD2 3.09Å; D810-L812 PolarHBondContact O-N 3.19Å; D810-Q813 PolarHBondContact O-N 2.96Å; D810-H814 WeakPolarHBondContact O-CB 3.24Å; D810-H814 PolarHBondContact O-N 2.99Å |
| 811 | Q | 76.9 | Confident | 64.2 | Low | 130 Ų | 130 | 105 Ų | 105 | 61% | 0.607 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.6 | -39.5 | 174.2 | -78.1 | 179.3 | 27.2 | 0 | 0 | 112.9 | Q807 I809 R815 | Q807-Q811 VanDerWaalsContact O-CG 3.3Å; Q807-Q811 WeakPolarHBondContact O-CG 3.36Å; Q807-Q811 PolarHBondContact O-N 3.05Å; I809-Q811 PolarHBondContact O-N 2.64Å; Q811-R815 WeakPolarHBondContact O-CB 3.37Å; Q811-R815 PolarHBondContact O-N 3.1Å |
| 812 | L | 75.4 | Confident | 64 | Low | 105 Ų | 105 | 112.2 Ų | 112.2 | 55% | 0.55 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.5 | -41.7 | 175.1 | -79.3 | 164.7 | 0 | 0 | 0 | 111.7 | L804 Q808 I809 D810 R815 A816 | L804-L812 HydrophobicContact CD1-CD1 4.33Å; Q808-L812 WeakPolarHBondContact O-CG 3.5Å; Q808-L812 PolarHBondContact O-N 3.39Å; Q808-L812 VanDerWaalsContact O-N 3.08Å; I809-L812 PolarHBondContact O-N 2.97Å; D810-L812 PolarHBondContact O-N 3.19Å; L812-R815 PolarHBondContact O-N 3.12Å; L812-A816 WeakPolarHBondContact O-CB 3.44Å; L812-A816 PolarHBondContact O-N 2.81Å |
| 813 | Q | 72 | Confident | 63.5 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 54% | 0.537 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.9 | -45.2 | 175.8 | -69.2 | -178.3 | 16.2 | 0 | 0 | 111.8 | I809 D810 R815 A816 L817 | I809-Q813 WeakPolarHBondContact O-CG 3.46Å; I809-Q813 PolarHBondContact O-N 3.2Å; D810-Q813 PolarHBondContact O-N 2.96Å; Q813-R815 VanDerWaalsContact C-N 3.28Å; Q813-R815 PolarHBondContact O-N 2.88Å; Q813-A816 PolarHBondContact O-N 2.97Å; Q813-L817 WeakPolarHBondContact O-CG 3.32Å; Q813-L817 PolarHBondContact O-N 2.74Å |
| 814 | H | 72.3 | Confident | 62.5 | Low | 142 Ų | 142 | 111 Ų | 111 | 66% | 0.657 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.3 | -37.4 | 176 | -119.6 | -72.3 | 0 | 0 | 0 | 112.6 | D810 S818 | D810-H814 WeakPolarHBondContact O-CB 3.24Å; D810-H814 PolarHBondContact O-N 2.99Å; H814-S818 WeakPolarHBondContact O-CB 3.4Å; H814-S818 PolarHBondContact O-N 3.21Å; H814-S818 PolarHBondContact O-OG 3.03Å |
| 815 | R | 69.7 | Low | 61.1 | Low | 201 Ų | 201 | 114.3 Ų | 114.3 | 76% | 0.758 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.8 | -39.3 | 178 | -161.2 | 170.2 | -169.6 | 146.8 | 1.3 | 112.2 | Q811 L812 Q813 S818 | Q811-R815 WeakPolarHBondContact O-CB 3.37Å; Q811-R815 PolarHBondContact O-N 3.1Å; L812-R815 PolarHBondContact O-N 3.12Å; Q813-R815 VanDerWaalsContact C-N 3.28Å; Q813-R815 PolarHBondContact O-N 2.88Å; R815-S818 PolarHBondContact O-N 3.06Å |
| 816 | A | 57.4 | Low | 58.9 | Low | 61 Ų | 61 | 118.7 Ų | 118.7 | 50% | 0.504 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.7 | -36.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L812 Q813 S818 S819 | L812-A816 WeakPolarHBondContact O-CB 3.44Å; L812-A816 PolarHBondContact O-N 2.81Å; Q813-A816 PolarHBondContact O-N 2.97Å; A816-S818 VanDerWaalsContact C-N 3.25Å; A816-S818 PolarHBondContact O-N 3.31Å; A816-S819 PolarHBondContact O-OG 3.26Å |
| 817 | L | 55.8 | Low | 57.2 | Low | 133 Ų | 133 | 122.6 Ų | 122.6 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72 | -19.3 | 175.3 | -68.3 | 172.4 | 0 | 0 | 0 | 113.2 | Q813 | Q813-L817 WeakPolarHBondContact O-CG 3.32Å; Q813-L817 PolarHBondContact O-N 2.74Å |
| 818 | S | 53.8 | Low | 55 | Low | 91 Ų | 91 | 123 Ų | 123 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -11.4 | 179.3 | -60.7 | 0 | 0 | 0 | 0 | 113.9 | H814 R815 A816 | H814-S818 WeakPolarHBondContact O-CB 3.4Å; H814-S818 PolarHBondContact O-N 3.21Å; H814-S818 PolarHBondContact O-OG 3.03Å; R815-S818 PolarHBondContact O-N 3.06Å; A816-S818 VanDerWaalsContact C-N 3.25Å; A816-S818 PolarHBondContact O-N 3.31Å |
| 819 | S | 46.6 | Very low | 53 | Low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -92.1 | 0.2 | -179 | 51.2 | 0 | 0 | 0 | 0 | 115.3 | A816 | A816-S819 PolarHBondContact O-OG 3.26Š|
| 820 | T | 41.9 | Very low | 50.9 | Low | 122 Ų | 122 | 127.7 Ų | 127.7 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | -110.9 | 55.4 | -179.3 | 46.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 821 | G | 37.8 | Very low | 48.8 | Very low | 64 Ų | 64 | 132.1 Ų | 132.1 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -123.4 | 130.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V823 | G821-V823 PolarHBondContact O-N 3.47Š| ||
| 822 | R | 34.8 | Very low | 46.8 | Very low | 254 Ų | 254 | 129 Ų | 129 | 96% | 0.958 | 74% | 0.735 | S | S | * | * | trans | -63.6 | 129.2 | 177.5 | -70 | 176.5 | 171.4 | -175.2 | -4 | 111.6 | ||||
| 823 | V | 38 | Very low | 44.8 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -136.9 | 121.4 | 146.8 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | G821 L825 | G821-V823 PolarHBondContact O-N 3.47Å; V823-L825 HydrophobicContact CG1-CD1 4.21Å; V823-L825 HydrophobicContact CG1-CG 4.06Å | ||
| 824 | G | 32.9 | Very low | 43.1 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -114.4 | 116.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 825 | L | 39.7 | Very low | 41.4 | Very low | 163 Ų | 163 | 127 Ų | 127 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -139.2 | 141.5 | 171.2 | -76.5 | 179.3 | 0 | 0 | 0 | 109.6 | V823 | V823-L825 HydrophobicContact CG1-CD1 4.21Å; V823-L825 HydrophobicContact CG1-CG 4.06Å | ||
| 826 | N | 33.9 | Very low | 39.7 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -101.3 | 117.3 | -174 | 170.3 | 8.5 | 0 | 0 | 0 | 109.7 | ||||
| 827 | L | 41.1 | Very low | 38.9 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -147.7 | 103.6 | 168.5 | -77 | -177.6 | 0 | 0 | 0 | 112.4 | ||||
| 828 | N | 35.7 | Very low | 38 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 30.2 | 148.4 | 150.7 | -81.5 | -16.2 | 0 | 0 | 0 | 124.1 | ||||
| 829 | P | 38 | Very low | 37.5 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -99.7 | 122.3 | -175 | 37.2 | -30.7 | 0 | 0 | 0 | 114.7 | ||||
| 830 | T | 35.3 | Very low | 37.4 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -145.8 | 102.4 | 159.6 | -50.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 831 | L | 35.1 | Very low | 37.2 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -148.3 | 95 | 164.3 | -150.1 | 160 | 0 | 0 | 0 | 109.2 | ||||
| 832 | G | 35.5 | Very low | 37.3 | Very low | 64 Ų | 64 | 138.8 Ų | 138.8 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | -91.1 | 141.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 833 | A | 34.1 | Very low | 37.8 | Very low | 103 Ų | 103 | 132 Ų | 132 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | 41.1 | 125 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 834 | A | 35.4 | Very low | 37.9 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | cis | -178.8 | 139.4 | 40.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 835 | S | 37.5 | Very low | 38.8 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | 171 | 120 | 132.2 | -79.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 836 | A | 33.9 | Very low | 38.6 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -134.7 | 110.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 837 | L | 40.1 | Very low | 38.7 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -154.6 | 139.8 | 165.5 | -69.6 | 179.5 | 0 | 0 | 0 | 106.7 | ||||
| 838 | L | 37.8 | Very low | 38.5 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | cis | -166 | 140.2 | -19.5 | -169.2 | 79.5 | 0 | 0 | 0 | 106.5 | ||||
| 839 | F | 43.5 | Very low | 38.2 | Very low | 196 Ų | 196 | 131.3 Ų | 131.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 161 | 151.4 | 144.8 | -87.4 | -61 | 0 | 0 | 0 | 110.6 | ||||
| 840 | P | 44.3 | Very low | 38 | Very low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95 | 162.7 | -163.8 | 37.5 | -37.2 | 0 | 0 | 0 | 115 | ||
| 841 | P | 35.9 | Very low | 38 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 149.6 | 177.9 | 32.1 | -36.1 | 0 | 0 | 0 | 113.3 | ||
| 842 | Q | 41.9 | Very low | 37.8 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 152.7 | 167.8 | -85.7 | -165.1 | -51 | 0 | 0 | 112.4 | ||
| 843 | P | 44.9 | Very low | 37.8 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 160 | -179.5 | 34.7 | -36.5 | 0 | 0 | 0 | 113.1 | ||
| 844 | P | 39 | Very low | 37.8 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 137.4 | 177.5 | 30.4 | -34.8 | 0 | 0 | 0 | 112.2 | ||
| 845 | P | 51.8 | Low | 37.7 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 146.8 | 173.2 | 32.2 | -33.9 | 0 | 0 | 0 | 111.8 | ||
| 846 | A | 35.6 | Very low | 37.6 | Very low | 77 Ų | 77 | 144.6 Ų | 144.6 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | -125.9 | 150.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 847 | H | 37.1 | Very low | 37.8 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 82% | 0.819 | 80% | 0.802 | S | S | * | * | trans | 68.3 | 156.8 | -178.6 | -50.8 | -73.9 | 0 | 0 | 0 | 113 | ||||
| 848 | Q | 35.7 | Very low | 37.6 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | cis | -135.5 | 145.8 | 27.7 | -57.4 | 175.8 | 11.9 | 0 | 0 | 114.4 | ||||
| 849 | S | 29.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -117 | 120.8 | 168.1 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 850 | K | 35.3 | Very low | 37.4 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 175.3 | 111.6 | 153.7 | -104.2 | 163.3 | -176.3 | 176.3 | 0 | 112.2 | ||||
| 851 | Y | 33.4 | Very low | 37.3 | Very low | 245 Ų | 245 | 144.9 Ų | 144.9 | 96% | 0.961 | 78% | 0.781 | S | S | * | * | trans | -150.2 | 87.1 | 139.6 | -87.1 | -64.2 | 0 | 0 | 0 | 109 | ||||
| 852 | Q | 31.4 | Very low | 37.5 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -143.7 | 119.8 | 167.5 | -159 | 176.3 | 38.4 | 0 | 0 | 107.2 | ||||
| 853 | S | 35.2 | Very low | 37.4 | Very low | 94 Ų | 94 | 147.3 Ų | 147.3 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -150 | 120.3 | -166.1 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 854 | L | 34.3 | Very low | 37 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | trans | 66.5 | 143.4 | 162.9 | -51.3 | 163.4 | 0 | 0 | 0 | 114.6 | ||||
| 855 | S | 32.6 | Very low | 37.2 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | cis | -169.1 | 159 | -12.4 | 53.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 856 | S | 36 | Very low | 36.7 | Very low | 93 Ų | 93 | 152.2 Ų | 152.2 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | cis | -168.1 | 159.4 | 34.1 | -58.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 857 | Q | 37.5 | Very low | 36.9 | Very low | 186 Ų | 186 | 151.5 Ų | 151.5 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | 49 | 147 | 144.3 | -64.4 | 177.5 | -26.4 | 0 | 0 | 120.1 | ||||
| 858 | K | 37.8 | Very low | 37.1 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 68% | 0.683 | 77% | 0.774 | S | S | * | * | cis | -161.8 | 161.7 | 29.9 | -157.2 | -179.8 | 157.1 | -174.4 | 0 | 111.7 | ||||
| 859 | E | 37.9 | Very low | 37.6 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | trans | 2.8 | 152.9 | 157.1 | -68.8 | 144.7 | -131.4 | 0 | 0 | 120.5 | ||||
| 860 | D | 39.3 | Very low | 38.5 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | cis | -159.8 | 137.9 | 4.2 | -115.3 | -25.6 | 0 | 0 | 0 | 108 | ||||
| 861 | S | 40.5 | Very low | 38.7 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | 82.3 | 129.8 | 81.9 | -66.1 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 862 | R | 40.4 | Very low | 39 | Very low | 216 Ų | 216 | 135 Ų | 135 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | trans | 73.8 | 154.6 | 169.7 | -59.5 | -160.4 | 163.2 | 106.8 | 3.6 | 118.6 | ||||
| 863 | E | 40.4 | Very low | 39.6 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | cis | -163.3 | 148.2 | -29 | -108.5 | 155.7 | -146.7 | 0 | 0 | 105.3 | ||||
| 864 | N | 36.3 | Very low | 39.8 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | trans | -154.5 | 119.2 | 174.3 | -149.4 | -12.1 | 0 | 0 | 0 | 112.5 | ||||
| 865 | I | 42.2 | Very low | 40.2 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -149.9 | 113 | -168.9 | -64.7 | -176.6 | 0 | 0 | 0 | 110.4 | ||||
| 866 | I | 42.5 | Very low | 40.5 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 86% | 0.862 | 74% | 0.743 | S | S | * | * | trans | 57.8 | 133.8 | 152.6 | -52.9 | 168.3 | 0 | 0 | 0 | 117.6 | ||||
| 867 | G | 39.7 | Very low | 41 | Very low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | cis | 161.7 | 178.8 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 868 | S | 40.2 | Very low | 41.1 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | 72.6 | 125.8 | 173.7 | -51 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 869 | I | 46.4 | Very low | 41.5 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | cis | 77.1 | 134.1 | 34.6 | -56.4 | 175 | 0 | 0 | 0 | 112.3 | ||||
| 870 | P | 48.7 | Very low | 41.7 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | cis | -139.8 | 172.7 | -0.3 | 39.4 | -19.6 | 0 | 0 | 0 | 119.7 | ||||
| 871 | S | 39.8 | Very low | 41.8 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 56.9 | 114 | 134.4 | -66.9 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 872 | A | 40.7 | Very low | 41.9 | Very low | 83 Ų | 83 | 146.9 Ų | 146.9 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | 96.9 | 149.4 | 104.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 873 | H | 43 | Very low | 41.9 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | 65.9 | 118.4 | 172.1 | -61.1 | -73 | 0 | 0 | 0 | 117.5 | ||||
| 874 | S | 39.4 | Very low | 42 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | cis | 96.8 | 104.1 | 42.5 | 174.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 875 | S | 43.6 | Very low | 42.4 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | 176 | 132.9 | 128 | -78.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 876 | N | 38.6 | Very low | 42.4 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | 31.2 | 129.7 | 145.2 | -55.5 | -23.9 | 0 | 0 | 0 | 121.1 | ||||
| 877 | N | 46.1 | Very low | 42.4 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | -153.9 | 163.4 | 120.3 | -110.6 | -50.8 | 0 | 0 | 0 | 113.6 | |||||
| 878 | Q | 39.5 | Very low | 42.6 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -102.8 | 129.9 | -176.8 | -61.9 | 171.6 | -20.8 | 0 | 0 | 111.7 | ||||
| 879 | K | 45.7 | Very low | 42.8 | Very low | 196 Ų | 196 | 148.9 Ų | 148.9 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | 173.4 | 145.5 | 126.5 | -102.2 | 173.5 | 178 | 179.8 | 0 | 113.9 | |||||
| 880 | L | 42 | Very low | 42.5 | Very low | 247 Ų | 247 | 148 Ų | 148 | 100% | 1.293 | 83% | 0.829 | S | S | * | * | trans | 70.2 | 0 | 169.9 | -67.8 | 161.9 | 0 | 0 | 0 | 115.7 |
Retrieved 880 of 880 residues in 1290.2 ms
(Link to these results)