| 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 | 38.2 | Very low | 46.6 | Very low | 242 Ų | 242 | 161.5 Ų | 161.5 | 100% | 1.192 | 82% | 0.82 | S | S | * | * | 0 | 146.8 | 0 | -86 | 169.9 | 153.5 | 0 | 0 | 109.1 | |||||
| 2 | K | 43.5 | Very low | 46.5 | Very low | 199 Ų | 199 | 156.4 Ų | 156.4 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | 34.4 | 113.3 | 156.7 | -77 | 171.3 | 169.2 | 176.4 | 0 | 120.1 | ||||
| 3 | R | 48.6 | Very low | 46.8 | Very low | 241 Ų | 241 | 155.7 Ų | 155.7 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | -69.9 | 151.8 | 123.9 | -68.9 | -176.7 | 171.3 | 107.8 | -2.4 | 107.9 | |||||
| 4 | P | 53.8 | Low | 47.1 | Very low | 93 Ų | 93 | 152.6 Ų | 152.6 | 60% | 0.604 | 80% | 0.8 | S | S | * | * | -153.6 | -170.8 | 97.3 | 38.2 | -17.9 | 0 | 0 | 0 | 115.1 | |||||
| 5 | H | 47.2 | Very low | 47.3 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | 78.3 | 107.9 | 177.6 | -60.1 | -60.7 | 0 | 0 | 0 | 115.6 | ||||
| 6 | D | 45.5 | Very low | 47.3 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | cis | 90.4 | 135.7 | 34.9 | -65.6 | -66.8 | 0 | 0 | 0 | 114.8 | ||||
| 7 | Y | 47.3 | Very low | 47.3 | Very low | 215 Ų | 215 | 153.4 Ų | 153.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 64.1 | 105.3 | 164.8 | -100.5 | -98.1 | 0 | 0 | 0 | 119.1 | ||||
| 8 | S | 44.3 | Very low | 47.3 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | -165.6 | 119.8 | 116.1 | -79.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 9 | S | 48.6 | Very low | 47.3 | Very low | 105 Ų | 105 | 153.3 Ų | 153.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -152.8 | 145 | 159.8 | -174.7 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 10 | P | 53.3 | Low | 47.3 | Very low | 113 Ų | 113 | 152.1 Ų | 152.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -128.7 | 173.6 | 23.4 | 41.7 | -26.6 | 0 | 0 | 0 | 114.5 | ||||
| 11 | D | 42.3 | Very low | 47 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | 175 | 125.6 | 119.8 | -150.8 | -83.6 | 0 | 0 | 0 | 109.2 | |||||
| 12 | S | 45.3 | Very low | 47.6 | Very low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -171.2 | 76.9 | 165.6 | -179 | 0 | 0 | 0 | 0 | 109 | T14 | S12-T14 PolarHBondContact O-N 3.21Å; S12-T14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | D | 51.1 | Low | 47.7 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -61.2 | 105.4 | 163 | -110.6 | -58.1 | 0 | 0 | 0 | 109.8 | ||||
| 14 | T | 50.5 | Low | 47.6 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | trans | -126.2 | 89.9 | 159.8 | 54.6 | 0 | 0 | 0 | 0 | 108.6 | S12 E16 | S12-T14 PolarHBondContact O-N 3.21Å; S12-T14 VanDerWaalsContact O-N 3.1Å; T14-E16 VanDerWaalsContact C-N 3.25Å; T14-E16 PolarHBondContact O-N 2.85Å | ||
| 15 | D | 50.2 | Low | 47.5 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | -63 | 81.1 | 170.3 | -163.4 | -107 | 0 | 0 | 0 | 109.7 | F17 | D15-F17 PolarHBondContact O-N 3.02Å; D15-F17 WeakPolarHBondContact OD1-CD2 3.41Å; D15-F17 WeakPolarHBondContact OD1-CE2 3.33Å | ||
| 16 | E | 46.8 | Very low | 47.1 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -90 | 96.1 | 171.7 | -165.2 | 173.3 | 114.7 | 0 | 0 | 109 | T14 I18 | T14-E16 VanDerWaalsContact C-N 3.25Å; T14-E16 PolarHBondContact O-N 2.85Å; E16-I18 PolarHBondContact O-N 3.13Å | ||
| 17 | F | 48.2 | Very low | 47.4 | Very low | 174 Ų | 174 | 139 Ų | 139 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | -50.6 | 110 | 165.7 | -80.5 | -102 | 0 | 0 | 0 | 109.3 | D15 D19 | D15-F17 PolarHBondContact O-N 3.02Å; D15-F17 WeakPolarHBondContact OD1-CD2 3.41Å; D15-F17 WeakPolarHBondContact OD1-CE2 3.33Å; F17-D19 PolarHBondContact O-N 3.16Å | ||
| 18 | I | 46.1 | Very low | 47.8 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -72.7 | 79.7 | 168.3 | -53.1 | 178.4 | 0 | 0 | 0 | 107.4 | E16 | E16-I18 PolarHBondContact O-N 3.13Š| ||
| 19 | D | 47.5 | Very low | 47.7 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -59.8 | 151.6 | 171.2 | -172.5 | 25.8 | 0 | 0 | 0 | 110 | F17 G21 | F17-D19 PolarHBondContact O-N 3.16Å; D19-G21 PolarHBondContact O-N 3.26Å | ||
| 20 | V | 47 | Very low | 48 | Very low | 128 Ų | 128 | 135 Ų | 135 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -70 | 96.7 | -169.7 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | Q22 | V20-Q22 PolarHBondContact O-N 2.93Š| ||
| 21 | G | 41.4 | Very low | 47.9 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | -50.2 | 93.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D19 E23 | D19-G21 PolarHBondContact O-N 3.26Å; G21-E23 PolarHBondContact O-N 2.77Å; G21-E23 VanDerWaalsContact O-N 3.16Å | ||
| 22 | Q | 50.4 | Low | 48.4 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | trans | -57.3 | 110.5 | 172.9 | 177.3 | 173.8 | -41.1 | 0 | 0 | 109.2 | V20 D24 | V20-Q22 PolarHBondContact O-N 2.93Å; Q22-D24 VanDerWaalsContact C-N 3.28Å; Q22-D24 PolarHBondContact O-N 3.3Å | ||
| 23 | E | 46.2 | Very low | 48.5 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -73 | 80.6 | 178.4 | 52.6 | 178 | 142.2 | 0 | 0 | 111.1 | G21 S25 | G21-E23 PolarHBondContact O-N 2.77Å; G21-E23 VanDerWaalsContact O-N 3.16Å; E23-S25 PolarHBondContact O-N 3.45Å | ||
| 24 | D | 47.4 | Very low | 48.7 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | trans | -64.1 | 79.7 | 172.6 | -85.2 | -45.9 | 0 | 0 | 0 | 111.5 | Q22 Y26 | Q22-D24 VanDerWaalsContact C-N 3.28Å; Q22-D24 PolarHBondContact O-N 3.3Å; D24-Y26 PolarHBondContact O-N 2.93Å | ||
| 25 | S | 51.3 | Low | 49 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | -74.5 | 76.5 | 166.9 | -71.3 | 0 | 0 | 0 | 0 | 110.2 | E23 C27 | E23-S25 PolarHBondContact O-N 3.45Å; S25-C27 PolarHBondContact O-N 3.18Å; S25-C27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | Y | 39.5 | Very low | 49.6 | Very low | 199 Ų | 199 | 126.9 Ų | 126.9 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | trans | -64.8 | 107.4 | 174.7 | -170 | -99.1 | 0 | 0 | 0 | 110.9 | D24 P28 | D24-Y26 PolarHBondContact O-N 2.93Å; Y26-P28 HydrophobicContact CD1-CB 4.23Å; Y26-P28 HydrophobicContact CD1-CG 3.96Å; Y26-P28 HydrophobicContact CE1-CB 3.63Å; Y26-P28 HydrophobicContact CE1-CG 3.75Å; Y26-P28 WeakPolarHBondContact O-CD 3.43Å | ||
| 27 | C | 50.8 | Low | 50.5 | Low | 119 Ų | 119 | 121.1 Ų | 121.1 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -106.6 | 97.5 | 171 | -81.3 | 0 | 0 | 0 | 0 | 110 | S25 V29 | S25-C27 PolarHBondContact O-N 3.18Å; S25-C27 VanDerWaalsContact O-N 3.15Å; C27-V29 PolarHBondContact O-N 3.08Å; C27-V29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | P | 55.8 | Low | 51.4 | Low | 97 Ų | 97 | 115.8 Ų | 115.8 | 63% | 0.63 | 70% | 0.701 | S | S | * | * | trans | -83.2 | 92.6 | 175.8 | 32.4 | -30.5 | 0 | 0 | 0 | 110.2 | Y26 | Y26-P28 HydrophobicContact CD1-CB 4.23Å; Y26-P28 HydrophobicContact CD1-CG 3.96Å; Y26-P28 HydrophobicContact CE1-CB 3.63Å; Y26-P28 HydrophobicContact CE1-CG 3.75Å; Y26-P28 WeakPolarHBondContact O-CD 3.43Å | ||
| 29 | V | 42.8 | Very low | 52.7 | Low | 122 Ų | 122 | 111.9 Ų | 111.9 | 74% | 0.739 | 69% | 0.688 | S | S | * | * | trans | -144.8 | 122.8 | 145.1 | 90.1 | 0 | 0 | 0 | 0 | 111 | C27 G31 | C27-V29 PolarHBondContact O-N 3.08Å; C27-V29 VanDerWaalsContact O-N 3.16Å; V29-G31 PolarHBondContact O-N 3.47Å | ||
| 30 | T | 55.1 | Low | 54.1 | Low | 145 Ų | 145 | 110.1 Ų | 110.1 | 89% | 0.89 | 68% | 0.676 | S | S | * | * | trans | -67.5 | 113.8 | 178 | 48.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 31 | G | 50.6 | Low | 55.5 | Low | 45 Ų | 45 | 108.6 Ų | 108.6 | 46% | 0.464 | 66% | 0.662 | S | S | . | * | trans | -166.7 | 74.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V29 M33 | V29-G31 PolarHBondContact O-N 3.47Å; G31-M33 WeakPolarHBondContact O-CE 3.43Å; G31-M33 PolarHBondContact O-N 3.35Å; G31-M33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | S | 51.8 | Low | 57.4 | Low | 119 Ų | 119 | 110.6 Ų | 110.6 | 83% | 0.832 | 66% | 0.655 | S | S | * | * | trans | 21 | 75.9 | 164.2 | -166.7 | 0 | 0 | 0 | 0 | 116 | S34 | S32-S34 PolarHBondContact O-N 2.87Š| ||
| 33 | M | 48.7 | Very low | 58.6 | Low | 144 Ų | 144 | 106.1 Ų | 106.1 | 71% | 0.709 | 64% | 0.644 | S | S | * | * | trans | -80.6 | 92 | -179.3 | -69 | -65.2 | 160.1 | 0 | 0 | 110.7 | G31 | G31-M33 WeakPolarHBondContact O-CE 3.43Å; G31-M33 PolarHBondContact O-N 3.35Å; G31-M33 VanDerWaalsContact O-N 3.11Å | ||
| 34 | S | 54 | Low | 60 | Low | 83 Ų | 83 | 104.1 Ų | 104.1 | 58% | 0.58 | 63% | 0.629 | S | S | * | * | trans | -58.4 | 143.5 | 169.1 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | S32 G36 S37 | S32-S34 PolarHBondContact O-N 2.87Å; S34-G36 PolarHBondContact O-N 2.76Å; S34-S37 PolarHBondContact O-N 3.38Å; S34-S37 VanDerWaalsContact O-N 3.1Å | ||
| 35 | P | 58 | Low | 61.6 | Low | 129 Ų | 129 | 105.3 Ų | 105.3 | 84% | 0.838 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -18.7 | -173.9 | -29.4 | 35.5 | 0 | 0 | 0 | 116.5 | S37 | P35-S37 PolarHBondContact O-N 2.64Š|
| 36 | G | 61.8 | Low | 63.1 | Low | 53 Ų | 53 | 108.1 Ų | 108.1 | 55% | 0.546 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69 | -24.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S34 Q40 | S34-G36 PolarHBondContact O-N 2.76Å; G36-Q40 WeakPolarHBondContact O-CB 3.37Å; G36-Q40 PolarHBondContact O-N 3.25Å; G36-Q40 VanDerWaalsContact O-N 3.11Å |
| 37 | S | 65.6 | Low | 65.1 | Low | 48 Ų | 48 | 107.4 Ų | 107.4 | 34% | 0.336 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.2 | -49.8 | -172.9 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | S34 P35 S39 Q40 I41 | S34-S37 PolarHBondContact O-N 3.38Å; S34-S37 VanDerWaalsContact O-N 3.1Å; P35-S37 PolarHBondContact O-N 2.64Å; S37-S39 PolarHBondContact O-N 3.19Å; S37-Q40 PolarHBondContact O-N 2.93Å; S37-I41 WeakPolarHBondContact O-CG1 3.42Å; S37-I41 PolarHBondContact O-N 3.44Å |
| 38 | A | 67.7 | Low | 66.9 | Low | 63 Ų | 63 | 110.8 Ų | 110.8 | 52% | 0.521 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.3 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q40 I41 L42 | A38-Q40 VanDerWaalsContact C-N 3.34Å; A38-Q40 PolarHBondContact O-N 3.33Å; A38-I41 PolarHBondContact O-N 3.4Å; A38-L42 WeakPolarHBondContact O-CG 3.37Å; A38-L42 PolarHBondContact O-N 3.39Å |
| 39 | S | 73.4 | Confident | 68.6 | Low | 82 Ų | 82 | 108.2 Ų | 108.2 | 57% | 0.573 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.5 | -42.2 | 175.7 | -176 | 0 | 0 | 0 | 0 | 111.9 | S37 I41 L42 A43 | S37-S39 PolarHBondContact O-N 3.19Å; S39-I41 PolarHBondContact O-N 3.01Å; S39-L42 PolarHBondContact O-N 2.72Å; S39-A43 WeakPolarHBondContact O-CB 3.37Å; S39-A43 PolarHBondContact O-N 3.39Å |
| 40 | Q | 77.5 | Confident | 71 | Confident | 103 Ų | 103 | 106.4 Ų | 106.4 | 48% | 0.481 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.5 | -37.2 | 176.2 | -166.9 | -178 | 84.3 | 0 | 0 | 112.5 | G36 S37 A38 R44 | G36-Q40 WeakPolarHBondContact O-CB 3.37Å; G36-Q40 PolarHBondContact O-N 3.25Å; G36-Q40 VanDerWaalsContact O-N 3.11Å; S37-Q40 PolarHBondContact O-N 2.93Å; A38-Q40 VanDerWaalsContact C-N 3.34Å; A38-Q40 PolarHBondContact O-N 3.33Å; Q40-R44 VanDerWaalsContact CD-NH2 3.34Å; Q40-R44 VanDerWaalsContact O-CG 3.31Å; Q40-R44 WeakPolarHBondContact O-CG 3.46Å; Q40-R44 PolarHBondContact O-N 3.25Å |
| 41 | I | 76.3 | Confident | 72.8 | Confident | 97 Ų | 97 | 104.5 Ų | 104.5 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.8 | -47.3 | 175.8 | -67.8 | 163.9 | 0 | 0 | 0 | 110.8 | S37 A38 S39 A43 R44 K45 | S37-I41 WeakPolarHBondContact O-CG1 3.42Å; S37-I41 PolarHBondContact O-N 3.44Å; A38-I41 PolarHBondContact O-N 3.4Å; S39-I41 PolarHBondContact O-N 3.01Å; I41-A43 PolarHBondContact O-N 3.18Å; I41-R44 PolarHBondContact O-N 3.44Å; I41-K45 PolarHBondContact O-N 3.28Å |
| 42 | L | 80.8 | Confident | 75 | Confident | 115 Ų | 115 | 104.6 Ų | 104.6 | 60% | 0.602 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.1 | -40.7 | 176.7 | -68.5 | 175.5 | 0 | 0 | 0 | 112.1 | A38 S39 R44 K45 K46 | A38-L42 WeakPolarHBondContact O-CG 3.37Å; A38-L42 PolarHBondContact O-N 3.39Å; S39-L42 PolarHBondContact O-N 2.72Å; L42-R44 VanDerWaalsContact C-N 3.35Å; L42-R44 PolarHBondContact O-N 2.86Å; L42-K45 PolarHBondContact O-N 2.91Å; L42-K46 WeakPolarHBondContact O-CB 3.34Å; L42-K46 PolarHBondContact O-N 3.48Å |
| 43 | A | 75.9 | Confident | 77.1 | Confident | 58 Ų | 58 | 105.4 Ų | 105.4 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.7 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S39 I41 R47 | S39-A43 WeakPolarHBondContact O-CB 3.37Å; S39-A43 PolarHBondContact O-N 3.39Å; I41-A43 PolarHBondContact O-N 3.18Å; A43-R47 WeakPolarHBondContact O-CB 3.46Å; A43-R47 PolarHBondContact O-N 3.45Å |
| 44 | R | 76.1 | Confident | 79.4 | Confident | 136 Ų | 136 | 106.4 Ų | 106.4 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.9 | -43.8 | 172.7 | -74.3 | 171.5 | 176.1 | 141.6 | 4.1 | 111.8 | Q40 I41 L42 R47 R48 | Q40-R44 VanDerWaalsContact CD-NH2 3.34Å; Q40-R44 VanDerWaalsContact O-CG 3.31Å; Q40-R44 WeakPolarHBondContact O-CG 3.46Å; Q40-R44 PolarHBondContact O-N 3.25Å; I41-R44 PolarHBondContact O-N 3.44Å; L42-R44 VanDerWaalsContact C-N 3.35Å; L42-R44 PolarHBondContact O-N 2.86Å; R44-R47 PolarHBondContact O-N 2.91Å; R44-R48 WeakPolarHBondContact O-CG 3.48Å; R44-R48 PolarHBondContact O-N 3.27Å |
| 45 | K | 81.1 | Confident | 81.5 | Confident | 156 Ų | 156 | 108.8 Ų | 108.8 | 68% | 0.678 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.7 | -46.5 | 176.1 | -171 | 171.8 | 178.7 | 177 | 0 | 111.3 | I41 L42 R47 R48 G49 | I41-K45 PolarHBondContact O-N 3.28Å; L42-K45 PolarHBondContact O-N 2.91Å; K45-R47 PolarHBondContact O-N 3.45Å; K45-R48 PolarHBondContact O-N 3.39Å; K45-G49 PolarHBondContact O-N 3.29Å |
| 46 | K | 81.4 | Confident | 83.4 | Confident | 158 Ų | 158 | 109.5 Ų | 109.5 | 69% | 0.687 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 175.2 | -172.1 | 174.6 | -177.7 | 175.6 | 0 | 112.3 | L42 G49 I50 | L42-K46 WeakPolarHBondContact O-CB 3.34Å; L42-K46 PolarHBondContact O-N 3.48Å; K46-G49 PolarHBondContact O-N 3.43Å; K46-I50 WeakPolarHBondContact O-CG1 3.34Å; K46-I50 PolarHBondContact O-N 2.73Å; K46-I50 VanDerWaalsContact O-N 3.16Å |
| 47 | R | 81.4 | Confident | 85.1 | Confident | 184 Ų | 184 | 110.7 Ų | 110.7 | 69% | 0.694 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 176.2 | -171.2 | -175.6 | -66.5 | -150 | 0.4 | 112 | A43 R44 K45 G49 I50 I51 | A43-R47 WeakPolarHBondContact O-CB 3.46Å; A43-R47 PolarHBondContact O-N 3.45Å; R44-R47 PolarHBondContact O-N 2.91Å; K45-R47 PolarHBondContact O-N 3.45Å; R47-G49 VanDerWaalsContact C-N 3.34Å; R47-G49 PolarHBondContact O-N 2.96Å; R47-I50 PolarHBondContact O-N 2.84Å; R47-I51 HydrophobicContact CG-CD1 4.3Å; R47-I51 WeakPolarHBondContact O-CG1 3.47Å; R47-I51 PolarHBondContact O-N 3.33Å |
| 48 | R | 89.1 | Confident | 86.7 | Confident | 190 Ų | 190 | 117.4 Ų | 117.4 | 72% | 0.717 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.7 | -43.7 | 174.9 | -73.3 | 175 | 177.4 | 179.9 | -1.2 | 111.5 | R44 K45 I50 I51 E52 | R44-R48 WeakPolarHBondContact O-CG 3.48Å; R44-R48 PolarHBondContact O-N 3.27Å; K45-R48 PolarHBondContact O-N 3.39Å; R48-I50 PolarHBondContact O-N 3.48Å; R48-I51 PolarHBondContact O-N 3.27Å; R48-E52 WeakPolarHBondContact O-CB 3.34Å; R48-E52 PolarHBondContact O-N 3.43Å |
| 49 | G | 92.5 | Very high | 88.1 | Confident | 43 Ų | 43 | 117.9 Ų | 117.9 | 44% | 0.443 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K45 K46 R47 E52 K53 | K45-G49 PolarHBondContact O-N 3.29Å; K46-G49 PolarHBondContact O-N 3.43Å; R47-G49 VanDerWaalsContact C-N 3.34Å; R47-G49 PolarHBondContact O-N 2.96Å; G49-E52 PolarHBondContact O-N 2.98Å; G49-K53 WeakPolarHBondContact O-CB 3.47Å; G49-K53 PolarHBondContact O-N 3.42Å |
| 50 | I | 91.9 | Very high | 89.2 | Confident | 83 Ų | 83 | 117.2 Ų | 117.2 | 43% | 0.426 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 177.5 | -64.9 | 164.5 | 0 | 0 | 0 | 111.5 | K46 R47 R48 K53 R54 | K46-I50 WeakPolarHBondContact O-CG1 3.34Å; K46-I50 PolarHBondContact O-N 2.73Å; K46-I50 VanDerWaalsContact O-N 3.16Å; R47-I50 PolarHBondContact O-N 2.84Å; R48-I50 PolarHBondContact O-N 3.48Å; I50-K53 PolarHBondContact O-N 3.33Å; I50-R54 WeakPolarHBondContact O-CG 3.31Å; I50-R54 PolarHBondContact O-N 2.91Å; I50-R54 VanDerWaalsContact O-N 3.16Å |
| 51 | I | 93.8 | Very high | 90.1 | Very high | 106 Ų | 106 | 118.4 Ų | 118.4 | 54% | 0.544 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 177.5 | -65.2 | 166.4 | 0 | 0 | 0 | 110.1 | R47 R48 R54 R55 | R47-I51 HydrophobicContact CG-CD1 4.3Å; R47-I51 WeakPolarHBondContact O-CG1 3.47Å; R47-I51 PolarHBondContact O-N 3.33Å; R48-I51 PolarHBondContact O-N 3.27Å; I51-R54 PolarHBondContact O-N 3.23Å; I51-R55 PolarHBondContact O-N 3.13Å |
| 52 | E | 96.5 | Very high | 91.1 | Very high | 46 Ų | 46 | 116.6 Ų | 116.6 | 22% | 0.215 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 178.5 | 176.6 | 57.3 | -169.2 | 0 | 0 | 112.6 | R48 G49 R54 R55 R56 | R48-E52 WeakPolarHBondContact O-CB 3.34Å; R48-E52 PolarHBondContact O-N 3.43Å; G49-E52 PolarHBondContact O-N 2.98Å; E52-R54 PolarHBondContact O-N 3.24Å; E52-R55 VanDerWaalsContact CD-NH1 3.34Å; E52-R55 WeakPolarHBondContact O-CB 3.43Å; E52-R55 PolarHBondContact O-N 3.25Å; E52-R55 IonicContact OE1-CZ 3.44Å; E52-R55 IonicContact OE1-NH1 3.32Å; E52-R55 PolarHBondContact OE1-NH1 3.48Å; E52-R55 IonicContact OE1-NH2 3.68Å; E52-R55 IonicContact OE2-CZ 3.24Å; E52-R55 VanDerWaalsContact OE2-CZ 3.24Å; E52-R55 IonicContact OE2-NE 3.54Å; E52-R55 IonicContact OE2-NH1 2.65Å; E52-R55 PolarHBondContact OE2-NH1 2.9Å; E52-R56 WeakPolarHBondContact O-CG 3.49Å; E52-R56 PolarHBondContact O-N 2.98Å; E52-R56 IonicContact OE1-CZ 3.37Å; E52-R56 IonicContact OE1-NE 2.77Å; E52-R56 PolarHBondContact OE1-NE 3.27Å; E52-R56 IonicContact OE1-NH2 3.08Å; E52-R56 PolarHBondContact OE1-NH2 2.97Å; E52-R56 VanDerWaalsContact OE1-NH2 3.08Å |
| 53 | K | 96.2 | Very high | 91.8 | Very high | 136 Ų | 136 | 111.9 Ų | 111.9 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.1 | -52.5 | 173 | -176.9 | 176.2 | 177.3 | 178.5 | 0 | 110.8 | G49 I50 R55 R56 D57 | G49-K53 WeakPolarHBondContact O-CB 3.47Å; G49-K53 PolarHBondContact O-N 3.42Å; I50-K53 PolarHBondContact O-N 3.33Å; K53-R55 VanDerWaalsContact C-N 3.25Å; K53-R55 PolarHBondContact O-N 2.95Å; K53-R56 WeakPolarHBondContact O-CB 3.38Å; K53-R56 PolarHBondContact O-N 3.42Å; K53-D57 PolarHBondContact O-N 3.27Å |
| 54 | R | 97.2 | Very high | 92.7 | Very high | 166 Ų | 166 | 112.1 Ų | 112.1 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.2 | -34.8 | 177 | -69 | 174.4 | -178.9 | 171.3 | -0.7 | 112.9 | I50 I51 E52 R58 | I50-R54 WeakPolarHBondContact O-CG 3.31Å; I50-R54 PolarHBondContact O-N 2.91Å; I50-R54 VanDerWaalsContact O-N 3.16Å; I51-R54 PolarHBondContact O-N 3.23Å; E52-R54 PolarHBondContact O-N 3.24Å; R54-R58 WeakPolarHBondContact O-CG 3.43Å; R54-R58 PolarHBondContact O-N 3.17Å; R54-R58 VanDerWaalsContact O-N 3.14Å |
| 55 | R | 98.1 | Very high | 93.7 | Very high | 132 Ų | 132 | 108.8 Ų | 108.8 | 50% | 0.498 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 174.1 | -163.4 | -164.1 | 92 | -163 | 14.7 | 111.4 | I51 E52 K53 R58 I59 | I51-R55 PolarHBondContact O-N 3.13Å; E52-R55 VanDerWaalsContact CD-NH1 3.34Å; E52-R55 WeakPolarHBondContact O-CB 3.43Å; E52-R55 PolarHBondContact O-N 3.25Å; E52-R55 IonicContact OE1-CZ 3.44Å; E52-R55 IonicContact OE1-NH1 3.32Å; E52-R55 PolarHBondContact OE1-NH1 3.48Å; E52-R55 IonicContact OE1-NH2 3.68Å; E52-R55 IonicContact OE2-CZ 3.24Å; E52-R55 VanDerWaalsContact OE2-CZ 3.24Å; E52-R55 IonicContact OE2-NE 3.54Å; E52-R55 IonicContact OE2-NH1 2.65Å; E52-R55 PolarHBondContact OE2-NH1 2.9Å; K53-R55 VanDerWaalsContact C-N 3.25Å; K53-R55 PolarHBondContact O-N 2.95Å; R55-R58 PolarHBondContact O-N 3.03Å; R55-I59 HydrophobicContact CG-CD1 4.36Å; R55-I59 WeakPolarHBondContact O-CG1 3.4Å; R55-I59 PolarHBondContact O-N 3.14Å; R55-I59 VanDerWaalsContact O-N 3.15Å |
| 56 | R | 97.9 | Very high | 94.4 | Very high | 144 Ų | 144 | 103.7 Ų | 103.7 | 54% | 0.543 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 178.3 | -67 | 174 | -172.7 | -167.4 | 1.5 | 111.9 | E52 K53 R58 I59 N60 | E52-R56 WeakPolarHBondContact O-CG 3.49Å; E52-R56 PolarHBondContact O-N 2.98Å; E52-R56 IonicContact OE1-CZ 3.37Å; E52-R56 IonicContact OE1-NE 2.77Å; E52-R56 PolarHBondContact OE1-NE 3.27Å; E52-R56 IonicContact OE1-NH2 3.08Å; E52-R56 PolarHBondContact OE1-NH2 2.97Å; E52-R56 VanDerWaalsContact OE1-NH2 3.08Å; K53-R56 WeakPolarHBondContact O-CB 3.38Å; K53-R56 PolarHBondContact O-N 3.42Å; R56-R58 PolarHBondContact O-N 2.74Å; R56-I59 PolarHBondContact O-N 3.3Å; R56-N60 WeakPolarHBondContact O-CB 3.31Å; R56-N60 VanDerWaalsContact O-CG 3.3Å; R56-N60 PolarHBondContact O-N 2.94Å; R56-N60 PolarHBondContact O-ND2 3.34Å |
| 57 | D | 97.6 | Very high | 94.9 | Very high | 79 Ų | 79 | 99.5 Ų | 99.5 | 42% | 0.422 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 177.7 | -61.2 | -25.6 | 0 | 0 | 0 | 110.8 | K53 I59 N60 H61 | K53-D57 PolarHBondContact O-N 3.27Å; D57-I59 PolarHBondContact O-N 3.17Å; D57-N60 PolarHBondContact O-N 2.86Å; D57-H61 WeakPolarHBondContact O-CB 3.39Å; D57-H61 PolarHBondContact O-N 2.92Å |
| 58 | R | 98.1 | Very high | 95.5 | Very high | 189 Ų | 189 | 97 Ų | 97 | 71% | 0.713 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60 | -43 | 173.7 | -73.1 | 177.4 | 67.1 | -127.7 | -2 | 113.2 | R54 R55 R56 H61 S62 | R54-R58 WeakPolarHBondContact O-CG 3.43Å; R54-R58 PolarHBondContact O-N 3.17Å; R54-R58 VanDerWaalsContact O-N 3.14Å; R55-R58 PolarHBondContact O-N 3.03Å; R56-R58 PolarHBondContact O-N 2.74Å; R58-H61 PolarHBondContact O-N 2.94Å; R58-S62 PolarHBondContact O-N 3.47Å; R58-S62 PolarHBondContact O-OG 3.26Å |
| 59 | I | 97.1 | Very high | 95.7 | Very high | 73 Ų | 73 | 92.8 Ų | 92.8 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 177.8 | -67.9 | 164.6 | 0 | 0 | 0 | 111 | R55 R56 D57 H61 S62 L63 | R55-I59 HydrophobicContact CG-CD1 4.36Å; R55-I59 WeakPolarHBondContact O-CG1 3.4Å; R55-I59 PolarHBondContact O-N 3.14Å; R55-I59 VanDerWaalsContact O-N 3.15Å; R56-I59 PolarHBondContact O-N 3.3Å; D57-I59 PolarHBondContact O-N 3.17Å; I59-H61 VanDerWaalsContact C-N 3.33Å; I59-S62 PolarHBondContact O-N 3.42Å; I59-S62 PolarHBondContact O-OG 2.83Å; I59-L63 HydrophobicContact CG2-CD1 4.21Å; I59-L63 WeakPolarHBondContact O-CG 3.4Å; I59-L63 PolarHBondContact O-N 3Å |
| 60 | N | 96.6 | Very high | 95.8 | Very high | 68 Ų | 68 | 90.9 Ų | 90.9 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 177.7 | -69.9 | -26.9 | 0 | 0 | 0 | 111.2 | R56 D57 L63 S64 K84 | R56-N60 WeakPolarHBondContact O-CB 3.31Å; R56-N60 VanDerWaalsContact O-CG 3.3Å; R56-N60 PolarHBondContact O-N 2.94Å; R56-N60 PolarHBondContact O-ND2 3.34Å; D57-N60 PolarHBondContact O-N 2.86Å; N60-L63 PolarHBondContact O-N 3.39Å; N60-S64 PolarHBondContact O-N 3.11Å; N60-S64 PolarHBondContact O-OG 3.17Å; N60-K84 PolarHBondContact OD1-NZ 3.5Å |
| 61 | H | 97.4 | Very high | 95.8 | Very high | 127 Ų | 127 | 90 Ų | 90 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.2 | -46.7 | 174.3 | -179.4 | 60.7 | 0 | 0 | 0 | 111.9 | D57 R58 I59 L63 S64 E65 | D57-H61 WeakPolarHBondContact O-CB 3.39Å; D57-H61 PolarHBondContact O-N 2.92Å; R58-H61 PolarHBondContact O-N 2.94Å; I59-H61 VanDerWaalsContact C-N 3.33Å; H61-L63 VanDerWaalsContact C-N 3.32Å; H61-L63 PolarHBondContact O-N 2.97Å; H61-S64 PolarHBondContact O-N 2.95Å; H61-E65 PolarHBondContact O-N 3.35Å |
| 62 | S | 97.4 | Very high | 95.7 | Very high | 59 Ų | 59 | 87.3 Ų | 87.3 | 41% | 0.413 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 176.6 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | R58 I59 E65 L66 | R58-S62 PolarHBondContact O-N 3.47Å; R58-S62 PolarHBondContact O-OG 3.26Å; I59-S62 PolarHBondContact O-N 3.42Å; I59-S62 PolarHBondContact O-OG 2.83Å; S62-E65 PolarHBondContact O-N 3.34Å; S62-L66 WeakPolarHBondContact O-CG 3.47Å; S62-L66 PolarHBondContact O-N 2.67Å |
| 63 | L | 95.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 85.1 Ų | 85.1 | 8% | 0.084 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.1 | -35.5 | 174.7 | -72.2 | 170.1 | 0 | 0 | 0 | 112.7 | I59 N60 H61 L66 R67 K84 I87 L88 | I59-L63 HydrophobicContact CG2-CD1 4.21Å; I59-L63 WeakPolarHBondContact O-CG 3.4Å; I59-L63 PolarHBondContact O-N 3Å; N60-L63 PolarHBondContact O-N 3.39Å; H61-L63 VanDerWaalsContact C-N 3.32Å; H61-L63 PolarHBondContact O-N 2.97Å; L63-L66 PolarHBondContact O-N 2.96Å; L63-R67 PolarHBondContact O-N 3.39Å; L63-R67 VanDerWaalsContact O-N 3.17Å; L63-K84 HydrophobicContact CD1-CD 3.78Å; L63-K84 HydrophobicContact CD1-CG 4.01Å; L63-I87 HydrophobicContact CD2-CG2 4.26Å; L63-L88 HydrophobicContact CD2-CD2 3.93Å; L63-L88 HydrophobicContact CD2-CG 4.15Å |
| 64 | S | 94.2 | Very high | 95.2 | Very high | 64 Ų | 64 | 84.3 Ų | 84.3 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 173 | -65.4 | 0 | 0 | 0 | 0 | 112 | N60 H61 R67 R68 | N60-S64 PolarHBondContact O-N 3.11Å; N60-S64 PolarHBondContact O-OG 3.17Å; H61-S64 PolarHBondContact O-N 2.95Å; S64-R67 PolarHBondContact O-N 2.94Å; S64-R68 PolarHBondContact O-N 3.44Å |
| 65 | E | 96 | Very high | 94.8 | Very high | 66 Ų | 66 | 84.3 Ų | 84.3 | 31% | 0.308 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 174.2 | -75 | -62.5 | 103.8 | 0 | 0 | 112 | H61 S62 R67 R68 L69 | H61-E65 PolarHBondContact O-N 3.35Å; S62-E65 PolarHBondContact O-N 3.34Å; E65-R67 VanDerWaalsContact C-N 3.34Å; E65-R67 PolarHBondContact O-N 3.21Å; E65-R68 WeakPolarHBondContact O-CB 3.44Å; E65-R68 PolarHBondContact O-N 2.94Å; E65-R68 IonicContact OE1-NE 3.25Å; E65-R68 PolarHBondContact OE1-NE 2.83Å; E65-R68 IonicContact OE1-NH2 3.86Å; E65-R68 IonicContact OE2-CZ 3.5Å; E65-R68 IonicContact OE2-NE 3.48Å; E65-R68 PolarHBondContact OE2-NE 3.44Å; E65-R68 IonicContact OE2-NH2 2.69Å; E65-R68 PolarHBondContact OE2-NH2 3.27Å; E65-L69 WeakPolarHBondContact O-CB 3.33Å; E65-L69 VanDerWaalsContact O-CG 3.29Å; E65-L69 WeakPolarHBondContact O-CG 3.48Å; E65-L69 PolarHBondContact O-N 3.32Å |
| 66 | L | 96.4 | Very high | 94.2 | Very high | 48 Ų | 48 | 82.4 Ų | 82.4 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 175.3 | -73.4 | 178.5 | 0 | 0 | 0 | 112.8 | S62 L63 R68 L69 V70 I87 L88 T91 | S62-L66 WeakPolarHBondContact O-CG 3.47Å; S62-L66 PolarHBondContact O-N 2.67Å; L63-L66 PolarHBondContact O-N 2.96Å; L66-R68 PolarHBondContact O-N 3.02Å; L66-L69 PolarHBondContact O-N 3.26Å; L66-V70 WeakPolarHBondContact O-CB 3.38Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 2.86Å; L66-I87 HydrophobicContact CB-CG2 3.9Å; L66-L88 HydrophobicContact CD1-CD2 4.37Å; L66-T91 HydrophobicContact CD1-CG2 4.28Å; L66-T91 HydrophobicContact CD2-CG2 3.74Å |
| 67 | R | 93.1 | Very high | 93 | Very high | 70 Ų | 70 | 80.8 Ų | 80.8 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.9 | -35.5 | 173 | -75.1 | 178.1 | 176.8 | 161.1 | -3.1 | 112.8 | L63 S64 E65 A73 F74 L82 I87 | L63-R67 PolarHBondContact O-N 3.39Å; L63-R67 VanDerWaalsContact O-N 3.17Å; S64-R67 PolarHBondContact O-N 2.94Å; E65-R67 VanDerWaalsContact C-N 3.34Å; E65-R67 PolarHBondContact O-N 3.21Å; R67-A73 CarbonylContact O-C 3.46Å; R67-F74 VanDerWaalsContact O-CA 3.22Å; R67-F74 WeakPolarHBondContact O-CA 3.36Å; R67-F74 WeakPolarHBondContact O-CB 3.38Å; R67-F74 PolarHBondContact O-N 2.91Å; R67-F74 VanDerWaalsContact O-N 3.07Å; R67-L82 HydrophobicContact CG-CD1 4.21Å; R67-L82 PolarHBondContact NH2-O 3.36Å; R67-I87 HydrophobicContact CG-CD1 3.91Å; R67-I87 HydrophobicContact CG-CG1 3.81Å; R67-I87 HydrophobicContact CG-CG2 4.12Å |
| 68 | R | 93.7 | Very high | 91.6 | Very high | 131 Ų | 131 | 81 Ų | 81 | 49% | 0.494 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -80.6 | -30 | -178.9 | -168.3 | -177.6 | 65.1 | 73 | -0.3 | 113 | S64 E65 L66 | S64-R68 PolarHBondContact O-N 3.44Å; E65-R68 WeakPolarHBondContact O-CB 3.44Å; E65-R68 PolarHBondContact O-N 2.94Å; E65-R68 IonicContact OE1-NE 3.25Å; E65-R68 PolarHBondContact OE1-NE 2.83Å; E65-R68 IonicContact OE1-NH2 3.86Å; E65-R68 IonicContact OE2-CZ 3.5Å; E65-R68 IonicContact OE2-NE 3.48Å; E65-R68 PolarHBondContact OE2-NE 3.44Å; E65-R68 IonicContact OE2-NH2 2.69Å; E65-R68 PolarHBondContact OE2-NH2 3.27Å; L66-R68 PolarHBondContact O-N 3.02Å |
| 69 | L | 93.4 | Very high | 89.9 | Confident | 102 Ų | 102 | 75.8 Ų | 75.8 | 53% | 0.534 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -92.8 | -25.8 | -174.3 | -67.8 | 173.1 | 0 | 0 | 0 | 114.1 | E65 L66 | E65-L69 WeakPolarHBondContact O-CB 3.33Å; E65-L69 VanDerWaalsContact O-CG 3.29Å; E65-L69 WeakPolarHBondContact O-CG 3.48Å; E65-L69 PolarHBondContact O-N 3.32Å; L66-L69 PolarHBondContact O-N 3.26Å |
| 70 | V | 93.4 | Very high | 88.2 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 2% | 0.024 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -92.1 | 117.4 | -178.7 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | L66 S72 A73 F74 M90 T91 H94 | L66-V70 WeakPolarHBondContact O-CB 3.38Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 2.86Å; V70-S72 PolarHBondContact O-N 2.95Å; V70-A73 HydrophobicContact CB-CB 3.98Å; V70-A73 HydrophobicContact CG1-CB 4.09Å; V70-A73 PolarHBondContact O-N 3.34Å; V70-F74 PolarHBondContact O-N 3.41Å; V70-M90 HydrophobicContact CG1-CB 4.35Å; V70-T91 HydrophobicContact CG2-CG2 4.08Å; V70-H94 HydrophobicContact CG1-CB 3.98Å |
| 71 | P | 91.8 | Very high | 87.3 | Confident | 65 Ų | 65 | 83.3 Ų | 83.3 | 42% | 0.422 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.5 | -45.7 | -170.1 | -29 | 35.2 | 0 | 0 | 0 | 114.3 | A73 F74 E75 | P71-A73 PolarHBondContact O-N 3.08Å; P71-F74 PolarHBondContact O-N 3.31Å; P71-E75 PolarHBondContact O-N 2.88Å |
| 72 | S | 91.4 | Very high | 86.6 | Confident | 49 Ų | 49 | 78 Ų | 78 | 34% | 0.343 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.2 | -34.5 | 179.3 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | V70 K76 M90 | V70-S72 PolarHBondContact O-N 2.95Å; S72-K76 WeakPolarHBondContact O-CG 3.33Å; S72-K76 PolarHBondContact O-N 2.69Å; S72-M90 WeakPolarHBondContact O-CE 3.28Å |
| 73 | A | 92.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -75.2 | -32.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R67 V70 P71 Q77 L82 M90 | R67-A73 CarbonylContact O-C 3.46Å; V70-A73 HydrophobicContact CB-CB 3.98Å; V70-A73 HydrophobicContact CG1-CB 4.09Å; V70-A73 PolarHBondContact O-N 3.34Å; P71-A73 PolarHBondContact O-N 3.08Å; A73-Q77 PolarHBondContact O-N 3.43Å; A73-L82 HydrophobicContact CB-CD1 4.35Å; A73-L82 WeakPolarHBondContact O-CD1 3.44Å; A73-M90 HydrophobicContact CB-CB 4.49Å; A73-M90 HydrophobicContact CB-CE 4.27Å; A73-M90 HydrophobicContact CB-SD 4.18Å |
| 74 | F | 91.5 | Very high | 86.3 | Confident | 119 Ų | 119 | 86.6 Ų | 86.6 | 52% | 0.522 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 174.3 | 177.8 | -101.9 | 0 | 0 | 0 | 111.4 | R67 V70 P71 K76 Q77 | R67-F74 VanDerWaalsContact O-CA 3.22Å; R67-F74 WeakPolarHBondContact O-CA 3.36Å; R67-F74 WeakPolarHBondContact O-CB 3.38Å; R67-F74 PolarHBondContact O-N 2.91Å; R67-F74 VanDerWaalsContact O-N 3.07Å; V70-F74 PolarHBondContact O-N 3.41Å; P71-F74 PolarHBondContact O-N 3.31Å; F74-K76 VanDerWaalsContact C-N 3.31Å; F74-K76 PolarHBondContact O-N 3.42Å; F74-Q77 WeakPolarHBondContact O-CB 3.49Å; F74-Q77 PolarHBondContact O-N 3.28Å |
| 75 | E | 88.9 | Confident | 86.3 | Confident | 165 Ų | 165 | 86.8 Ų | 86.8 | 77% | 0.771 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.2 | -41.2 | 175.7 | -173.3 | 170.9 | -147.1 | 0 | 0 | 111.9 | P71 Q77 | P71-E75 PolarHBondContact O-N 2.88Å; E75-Q77 PolarHBondContact O-N 2.76Å |
| 76 | K | 84.4 | Confident | 86.2 | Confident | 93 Ų | 93 | 86.5 Ų | 86.5 | 40% | 0.404 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -74.2 | -1.9 | 173.7 | -66.7 | -165.7 | -175 | -169.6 | 0 | 114.8 | S72 F74 G78 S79 L82 E86 M90 | S72-K76 WeakPolarHBondContact O-CG 3.33Å; S72-K76 PolarHBondContact O-N 2.69Å; F74-K76 VanDerWaalsContact C-N 3.31Å; F74-K76 PolarHBondContact O-N 3.42Å; K76-G78 PolarHBondContact O-N 2.88Å; K76-G78 VanDerWaalsContact O-N 3.16Å; K76-S79 WeakPolarHBondContact O-CB 3.48Å; K76-S79 PolarHBondContact O-N 3.17Å; K76-L82 HydrophobicContact CB-CD1 4.14Å; K76-L82 HydrophobicContact CB-CD2 3.76Å; K76-L82 HydrophobicContact CB-CG 4.29Å; K76-L82 HydrophobicContact CD-CD2 3.78Å; K76-L82 HydrophobicContact CG-CD2 4.47Å; K76-E86 IonicContact NZ-OE1 2.65Å; K76-E86 PolarHBondContact NZ-OE1 3.03Å; K76-M90 HydrophobicContact CD-CE 3.74Å; K76-M90 HydrophobicContact CD-SD 4.32Å; K76-M90 HydrophobicContact CG-CE 4.18Å |
| 77 | Q | 72.6 | Confident | 86.1 | Confident | 109 Ų | 109 | 84.3 Ų | 84.3 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -64.2 | -20.3 | -178.5 | -167.9 | 177.8 | -50 | 0 | 0 | 113 | A73 F74 E75 S79 | A73-Q77 PolarHBondContact O-N 3.43Å; F74-Q77 WeakPolarHBondContact O-CB 3.49Å; F74-Q77 PolarHBondContact O-N 3.28Å; E75-Q77 PolarHBondContact O-N 2.76Å; Q77-S79 VanDerWaalsContact C-N 3.33Å |
| 78 | G | 68.3 | Low | 86.3 | Confident | 84 Ų | 84 | 85.2 Ų | 85.2 | 87% | 0.866 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -77 | -11.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115 | K76 | K76-G78 PolarHBondContact O-N 2.88Å; K76-G78 VanDerWaalsContact O-N 3.16Å |
| 79 | S | 62.9 | Low | 86.5 | Confident | 79 Ų | 79 | 83.8 Ų | 83.8 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -92.1 | 154.6 | 176.2 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | K76 Q77 K81 | K76-S79 WeakPolarHBondContact O-CB 3.48Å; K76-S79 PolarHBondContact O-N 3.17Å; Q77-S79 VanDerWaalsContact C-N 3.33Å; S79-K81 PolarHBondContact O-N 2.95Å |
| 80 | S | 60.3 | Low | 86.6 | Confident | 116 Ų | 116 | 80 Ų | 80 | 81% | 0.811 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -65.1 | 97.6 | -173.8 | 44.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 81 | K | 78.8 | Confident | 86.8 | Confident | 184 Ų | 184 | 80.5 Ų | 80.5 | 80% | 0.8 | 44% | 0.439 | S | S | * | . | trans | 61.2 | 70.4 | 158.3 | -167 | -171.5 | 178.8 | -175.7 | 0 | 114.7 | S79 E83 | S79-K81 PolarHBondContact O-N 2.95Å; K81-E83 PolarHBondContact O-N 2.89Å | ||
| 82 | L | 83.6 | Confident | 87 | Confident | 14 Ų | 14 | 80.6 Ų | 80.6 | 7% | 0.073 | 44% | 0.438 | C | S | . | . | trans | -38.8 | 128.6 | 165 | -71.5 | 174.2 | 0 | 0 | 0 | 112.8 | R67 A73 K76 E86 I87 M90 | R67-L82 HydrophobicContact CG-CD1 4.21Å; R67-L82 PolarHBondContact NH2-O 3.36Å; A73-L82 HydrophobicContact CB-CD1 4.35Å; A73-L82 WeakPolarHBondContact O-CD1 3.44Å; K76-L82 HydrophobicContact CB-CD1 4.14Å; K76-L82 HydrophobicContact CB-CD2 3.76Å; K76-L82 HydrophobicContact CB-CG 4.29Å; K76-L82 HydrophobicContact CD-CD2 3.78Å; K76-L82 HydrophobicContact CG-CD2 4.47Å; L82-E86 VanDerWaalsContact CD2-CD 3.43Å; L82-E86 HydrophobicContact CD2-CG 4.32Å; L82-E86 WeakPolarHBondContact CD2-OE2 3.47Å; L82-I87 HydrophobicContact CB-CG1 4.1Å; L82-M90 HydrophobicContact CD2-SD 4.44Å | ||
| 83 | E | 91.8 | Very high | 87.2 | Confident | 139 Ų | 139 | 81.4 Ų | 81.4 | 65% | 0.65 | 44% | 0.439 | S | S | * | . | trans | -70.5 | 157.4 | 179.7 | -64 | -158.4 | 146.3 | 0 | 0 | 112.6 | K81 A85 E86 I87 | K81-E83 PolarHBondContact O-N 2.89Å; E83-A85 VanDerWaalsContact C-N 3.29Å; E83-A85 PolarHBondContact O-N 2.69Å; E83-E86 HydrophobicContact CB-CB 4.23Å; E83-E86 PolarHBondContact O-N 2.97Å; E83-I87 VanDerWaalsContact O-CG1 3.29Å; E83-I87 WeakPolarHBondContact O-CG1 3.48Å; E83-I87 PolarHBondContact O-N 3.45Å | ||
| 84 | K | 93 | Very high | 87.2 | Confident | 117 Ų | 117 | 83.2 Ų | 83.2 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 178.4 | -70 | -165.8 | 169.2 | -168.1 | 0 | 112.7 | N60 L63 L88 | N60-K84 PolarHBondContact OD1-NZ 3.5Å; L63-K84 HydrophobicContact CD1-CD 3.78Å; L63-K84 HydrophobicContact CD1-CG 4.01Å; K84-L88 WeakPolarHBondContact O-CG 3.39Å; K84-L88 PolarHBondContact O-N 3.23Å |
| 85 | A | 95 | Very high | 87.3 | Confident | 68 Ų | 68 | 81.9 Ų | 81.9 | 56% | 0.562 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E83 L88 Q89 | E83-A85 VanDerWaalsContact C-N 3.29Å; E83-A85 PolarHBondContact O-N 2.69Å; A85-L88 PolarHBondContact O-N 2.96Å; A85-Q89 WeakPolarHBondContact O-CB 3.47Å; A85-Q89 PolarHBondContact O-N 3.09Å |
| 86 | E | 94.8 | Very high | 87.4 | Confident | 61 Ų | 61 | 79.6 Ų | 79.6 | 29% | 0.285 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 179 | -165.9 | -176.1 | -176.9 | 0 | 0 | 112 | K76 L82 E83 L88 Q89 M90 | K76-E86 IonicContact NZ-OE1 2.65Å; K76-E86 PolarHBondContact NZ-OE1 3.03Å; L82-E86 VanDerWaalsContact CD2-CD 3.43Å; L82-E86 HydrophobicContact CD2-CG 4.32Å; L82-E86 WeakPolarHBondContact CD2-OE2 3.47Å; E83-E86 HydrophobicContact CB-CB 4.23Å; E83-E86 PolarHBondContact O-N 2.97Å; E86-L88 VanDerWaalsContact C-N 3.28Å; E86-L88 PolarHBondContact O-N 2.88Å; E86-Q89 PolarHBondContact O-N 3.36Å; E86-M90 HydrophobicContact CG-CG 4.31Å; E86-M90 HydrophobicContact CG-SD 3.77Å; E86-M90 WeakPolarHBondContact O-CB 3.36Å; E86-M90 WeakPolarHBondContact O-CG 3.24Å; E86-M90 PolarHBondContact O-N 3.11Å |
| 87 | I | 94.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.005 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -55.5 | -45.8 | 176.2 | -58.2 | 158.5 | 0 | 0 | 0 | 110.8 | L63 L66 R67 L82 E83 T91 | L63-I87 HydrophobicContact CD2-CG2 4.26Å; L66-I87 HydrophobicContact CB-CG2 3.9Å; R67-I87 HydrophobicContact CG-CD1 3.91Å; R67-I87 HydrophobicContact CG-CG1 3.81Å; R67-I87 HydrophobicContact CG-CG2 4.12Å; L82-I87 HydrophobicContact CB-CG1 4.1Å; E83-I87 VanDerWaalsContact O-CG1 3.29Å; E83-I87 WeakPolarHBondContact O-CG1 3.48Å; E83-I87 PolarHBondContact O-N 3.45Å; I87-T91 WeakPolarHBondContact O-CB 3.29Å; I87-T91 PolarHBondContact O-N 2.86Å; I87-T91 PolarHBondContact O-OG1 2.96Å |
| 88 | L | 97.2 | Very high | 88.4 | Confident | 89 Ų | 89 | 75.9 Ų | 75.9 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | -179.3 | -68.5 | 173.1 | 0 | 0 | 0 | 111.5 | L63 L66 K84 A85 E86 T91 V92 | L63-L88 HydrophobicContact CD2-CD2 3.93Å; L63-L88 HydrophobicContact CD2-CG 4.15Å; L66-L88 HydrophobicContact CD1-CD2 4.37Å; K84-L88 WeakPolarHBondContact O-CG 3.39Å; K84-L88 PolarHBondContact O-N 3.23Å; A85-L88 PolarHBondContact O-N 2.96Å; E86-L88 VanDerWaalsContact C-N 3.28Å; E86-L88 PolarHBondContact O-N 2.88Å; L88-T91 WeakPolarHBondContact O-CB 3.28Å; L88-T91 PolarHBondContact O-N 3.47Å; L88-V92 WeakPolarHBondContact O-CG2 3.13Å; L88-V92 PolarHBondContact O-N 2.97Å |
| 89 | Q | 96.5 | Very high | 89.2 | Confident | 101 Ų | 101 | 79.1 Ų | 79.1 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.1 | -51 | 177 | -174.3 | 59.1 | 49.2 | 0 | 0 | 111.3 | A85 E86 T91 V92 D93 | A85-Q89 WeakPolarHBondContact O-CB 3.47Å; A85-Q89 PolarHBondContact O-N 3.09Å; E86-Q89 PolarHBondContact O-N 3.36Å; Q89-T91 VanDerWaalsContact C-N 3.25Å; Q89-T91 PolarHBondContact O-N 3.19Å; Q89-V92 PolarHBondContact O-N 2.95Å; Q89-V92 VanDerWaalsContact O-N 3.1Å; Q89-D93 VanDerWaalsContact NE2-CG 3.29Å; Q89-D93 PolarHBondContact NE2-OD1 3.06Å; Q89-D93 PolarHBondContact NE2-OD2 2.77Å; Q89-D93 PolarHBondContact O-N 3.46Å |
| 90 | M | 96.2 | Very high | 90.1 | Very high | 23 Ų | 23 | 79.5 Ų | 79.5 | 11% | 0.113 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60 | -36.5 | 177.7 | -63.7 | 172.9 | 88.4 | 0 | 0 | 112 | V70 S72 A73 K76 L82 E86 H94 | V70-M90 HydrophobicContact CG1-CB 4.35Å; S72-M90 WeakPolarHBondContact O-CE 3.28Å; A73-M90 HydrophobicContact CB-CB 4.49Å; A73-M90 HydrophobicContact CB-CE 4.27Å; A73-M90 HydrophobicContact CB-SD 4.18Å; K76-M90 HydrophobicContact CD-CE 3.74Å; K76-M90 HydrophobicContact CD-SD 4.32Å; K76-M90 HydrophobicContact CG-CE 4.18Å; L82-M90 HydrophobicContact CD2-SD 4.44Å; E86-M90 HydrophobicContact CG-CG 4.31Å; E86-M90 HydrophobicContact CG-SD 3.77Å; E86-M90 WeakPolarHBondContact O-CB 3.36Å; E86-M90 WeakPolarHBondContact O-CG 3.24Å; E86-M90 PolarHBondContact O-N 3.11Å; M90-H94 WeakPolarHBondContact O-CB 3.35Å; M90-H94 PolarHBondContact O-N 2.98Å; M90-H94 VanDerWaalsContact O-N 3.08Å |
| 91 | T | 96.7 | Very high | 91 | Very high | 14 Ų | 14 | 79 Ų | 79 | 9% | 0.086 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 173.4 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | L66 V70 I87 L88 Q89 D93 H94 L95 | L66-T91 HydrophobicContact CD1-CG2 4.28Å; L66-T91 HydrophobicContact CD2-CG2 3.74Å; V70-T91 HydrophobicContact CG2-CG2 4.08Å; I87-T91 WeakPolarHBondContact O-CB 3.29Å; I87-T91 PolarHBondContact O-N 2.86Å; I87-T91 PolarHBondContact O-OG1 2.96Å; L88-T91 WeakPolarHBondContact O-CB 3.28Å; L88-T91 PolarHBondContact O-N 3.47Å; Q89-T91 VanDerWaalsContact C-N 3.25Å; Q89-T91 PolarHBondContact O-N 3.19Å; T91-D93 VanDerWaalsContact C-N 3.35Å; T91-D93 PolarHBondContact O-N 3.03Å; T91-H94 PolarHBondContact O-N 3.4Å; T91-L95 HydrophobicContact CG2-CD1 4.28Å; T91-L95 WeakPolarHBondContact O-CG 3.24Å; T91-L95 PolarHBondContact O-N 3.24Å |
| 92 | V | 96.6 | Very high | 90.6 | Very high | 67 Ų | 67 | 73 Ų | 73 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | -179.6 | 166 | 0 | 0 | 0 | 0 | 111.2 | L88 Q89 L95 K96 | L88-V92 WeakPolarHBondContact O-CG2 3.13Å; L88-V92 PolarHBondContact O-N 2.97Å; Q89-V92 PolarHBondContact O-N 2.95Å; Q89-V92 VanDerWaalsContact O-N 3.1Å; V92-L95 PolarHBondContact O-N 3.07Å; V92-K96 HydrophobicContact CG1-CD 4.46Å; V92-K96 WeakPolarHBondContact O-CG 3.3Å; V92-K96 PolarHBondContact O-N 3.09Å |
| 93 | D | 95 | Very high | 89.8 | Confident | 67 Ų | 67 | 75.1 Ų | 75.1 | 36% | 0.358 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.6 | -34.2 | 179.6 | -63.5 | -32.1 | 0 | 0 | 0 | 112.1 | Q89 T91 K96 L97 | Q89-D93 VanDerWaalsContact NE2-CG 3.29Å; Q89-D93 PolarHBondContact NE2-OD1 3.06Å; Q89-D93 PolarHBondContact NE2-OD2 2.77Å; Q89-D93 PolarHBondContact O-N 3.46Å; T91-D93 VanDerWaalsContact C-N 3.35Å; T91-D93 PolarHBondContact O-N 3.03Å; D93-K96 PolarHBondContact O-N 3.41Å; D93-K96 IonicContact OD1-NZ 2.77Å; D93-K96 PolarHBondContact OD1-NZ 3.38Å; D93-L97 PolarHBondContact O-N 3.39Å |
| 94 | H | 92.5 | Very high | 88.4 | Confident | 37 Ų | 37 | 74.7 Ų | 74.7 | 17% | 0.171 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 168.8 | -177.8 | -119.8 | 0 | 0 | 0 | 112.5 | V70 M90 T91 L97 L98 | V70-H94 HydrophobicContact CG1-CB 3.98Å; M90-H94 WeakPolarHBondContact O-CB 3.35Å; M90-H94 PolarHBondContact O-N 2.98Å; M90-H94 VanDerWaalsContact O-N 3.08Å; T91-H94 PolarHBondContact O-N 3.4Å; H94-L97 WeakPolarHBondContact O-CB 3.24Å; H94-L97 PolarHBondContact O-N 2.99Å; H94-L98 WeakPolarHBondContact O-CG 3.48Å; H94-L98 PolarHBondContact O-N 3.32Å |
| 95 | L | 93.4 | Very high | 86.8 | Confident | 91 Ų | 91 | 71.3 Ų | 71.3 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 175.1 | -68.9 | 175 | 0 | 0 | 0 | 112.4 | T91 V92 L97 L98 H99 | T91-L95 HydrophobicContact CG2-CD1 4.28Å; T91-L95 WeakPolarHBondContact O-CG 3.24Å; T91-L95 PolarHBondContact O-N 3.24Å; V92-L95 PolarHBondContact O-N 3.07Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L95-L98 HydrophobicContact CD2-CD1 4.5Å; L95-L98 PolarHBondContact O-N 3.35Å; L95-H99 PolarHBondContact O-CD2 2.91Å; L95-H99 PolarHBondContact O-N 2.76Å |
| 96 | K | 92.6 | Very high | 85.1 | Confident | 118 Ų | 118 | 75.4 Ų | 75.4 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 172.3 | -71.2 | 172.3 | -169 | 156.7 | 0 | 111.6 | V92 D93 H99 A100 | V92-K96 HydrophobicContact CG1-CD 4.46Å; V92-K96 WeakPolarHBondContact O-CG 3.3Å; V92-K96 PolarHBondContact O-N 3.09Å; D93-K96 PolarHBondContact O-N 3.41Å; D93-K96 IonicContact OD1-NZ 2.77Å; D93-K96 PolarHBondContact OD1-NZ 3.38Å; K96-H99 PolarHBondContact O-N 3.19Å; K96-A100 WeakPolarHBondContact O-CB 3.39Å; K96-A100 PolarHBondContact O-N 3.3Å |
| 97 | L | 88.5 | Confident | 83.6 | Confident | 91 Ų | 91 | 80 Ų | 80 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 175.7 | 177.3 | 62.9 | 0 | 0 | 0 | 111.1 | D93 H94 L95 H99 A100 M101 | D93-L97 PolarHBondContact O-N 3.39Å; H94-L97 WeakPolarHBondContact O-CB 3.24Å; H94-L97 PolarHBondContact O-N 2.99Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L97-H99 VanDerWaalsContact C-N 3.3Å; L97-H99 PolarHBondContact O-N 2.93Å; L97-A100 PolarHBondContact O-N 3.08Å; L97-A100 VanDerWaalsContact O-N 3.17Å; L97-M101 HydrophobicContact CD1-CG 4.27Å; L97-M101 HydrophobicContact CD1-SD 3.9Å; L97-M101 HydrophobicContact CG-SD 3.83Å; L97-M101 WeakPolarHBondContact O-CB 3.47Å; L97-M101 VanDerWaalsContact O-CG 3.29Å; L97-M101 WeakPolarHBondContact O-CG 3.4Å; L97-M101 PolarHBondContact O-N 2.95Å |
| 98 | L | 87.5 | Confident | 82.7 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 17% | 0.173 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 176.5 | -68.8 | 173.8 | 0 | 0 | 0 | 113 | H94 L95 M101 G102 G103 | H94-L98 WeakPolarHBondContact O-CG 3.48Å; H94-L98 PolarHBondContact O-N 3.32Å; L95-L98 HydrophobicContact CD2-CD1 4.5Å; L95-L98 PolarHBondContact O-N 3.35Å; L98-M101 PolarHBondContact O-N 2.97Å; L98-G102 PolarHBondContact O-N 2.71Å; L98-G103 PolarHBondContact O-N 3.17Å |
| 99 | H | 85.3 | Confident | 81.8 | Confident | 151 Ų | 151 | 81.5 Ų | 81.5 | 70% | 0.699 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.4 | -42.9 | 173 | -89.1 | -122.9 | 0 | 0 | 0 | 112.4 | L95 K96 L97 M101 G102 | L95-H99 PolarHBondContact O-CD2 2.91Å; L95-H99 PolarHBondContact O-N 2.76Å; K96-H99 PolarHBondContact O-N 3.19Å; L97-H99 VanDerWaalsContact C-N 3.3Å; L97-H99 PolarHBondContact O-N 2.93Å; H99-M101 VanDerWaalsContact C-N 3.28Å; H99-M101 PolarHBondContact O-N 3.47Å; H99-G102 PolarHBondContact O-N 3.1Å |
| 100 | A | 83.1 | Confident | 81 | Confident | 88 Ų | 88 | 82.3 Ų | 82.3 | 73% | 0.727 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.7 | -32.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K96 L97 G102 | K96-A100 WeakPolarHBondContact O-CB 3.39Å; K96-A100 PolarHBondContact O-N 3.3Å; L97-A100 PolarHBondContact O-N 3.08Å; L97-A100 VanDerWaalsContact O-N 3.17Å; A100-G102 PolarHBondContact O-N 3.33Å |
| 101 | M | 78.3 | Confident | 80.3 | Confident | 106 Ų | 106 | 83 Ų | 83 | 52% | 0.522 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 7.7 | 172.1 | -65.9 | 172.5 | 72.4 | 0 | 0 | 113.6 | L97 L98 H99 | L97-M101 HydrophobicContact CD1-CG 4.27Å; L97-M101 HydrophobicContact CD1-SD 3.9Å; L97-M101 HydrophobicContact CG-SD 3.83Å; L97-M101 WeakPolarHBondContact O-CB 3.47Å; L97-M101 VanDerWaalsContact O-CG 3.29Å; L97-M101 WeakPolarHBondContact O-CG 3.4Å; L97-M101 PolarHBondContact O-N 2.95Å; L98-M101 PolarHBondContact O-N 2.97Å; H99-M101 VanDerWaalsContact C-N 3.28Å; H99-M101 PolarHBondContact O-N 3.47Å |
| 102 | G | 70.8 | Confident | 79.7 | Confident | 57 Ų | 57 | 85.2 Ų | 85.2 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | 17.3 | 171 | 0 | 0 | 0 | 0 | 0 | 115.6 | L98 H99 A100 K104 | L98-G102 PolarHBondContact O-N 2.71Å; H99-G102 PolarHBondContact O-N 3.1Å; A100-G102 PolarHBondContact O-N 3.33Å; G102-K104 PolarHBondContact O-N 2.97Å |
| 103 | G | 65.8 | Low | 79.2 | Confident | 58 Ų | 58 | 84.8 Ų | 84.8 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 71 | -14.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L98 G105 | L98-G103 PolarHBondContact O-N 3.17Å; G103-G105 PolarHBondContact O-N 2.65Å |
| 104 | K | 62.9 | Low | 78.8 | Confident | 130 Ų | 130 | 82.5 Ų | 82.5 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -58.9 | 124.7 | 154.1 | -69.4 | 171.5 | 168.8 | -172.7 | 0 | 107.1 | G102 D108 | G102-K104 PolarHBondContact O-N 2.97Å; K104-D108 HydrophobicContact CD-CB 4.31Å; K104-D108 WeakPolarHBondContact CD-OD2 3.39Å; K104-D108 WeakPolarHBondContact CE-OD2 3.36Å; K104-D108 IonicContact NZ-OD2 2.69Å; K104-D108 PolarHBondContact NZ-OD2 2.9Å |
| 105 | G | 60.2 | Low | 78.6 | Confident | 47 Ų | 47 | 84.5 Ų | 84.5 | 49% | 0.485 | 48% | 0.48 | S | S | . | . | trans | -63.1 | -177.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G103 F107 | G103-G105 PolarHBondContact O-N 2.65Å; G105-F107 PolarHBondContact O-N 3.2Å | ||
| 106 | Y | 58.7 | Low | 78.4 | Confident | 153 Ų | 153 | 88 Ų | 88 | 60% | 0.6 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -54.5 | -2.4 | -174.2 | -151.5 | -93.4 | 0 | 0 | 0 | 116.5 | ||
| 107 | F | 63.1 | Low | 78.4 | Confident | 159 Ų | 159 | 90.7 Ų | 90.7 | 70% | 0.697 | 50% | 0.495 | S | S | * | . | trans | -140.7 | 85.2 | 177.9 | -66.4 | -86.6 | 0 | 0 | 0 | 110.8 | G105 A109 L112 | G105-F107 PolarHBondContact O-N 3.2Å; F107-A109 VanDerWaalsContact C-N 3.27Å; F107-A109 PolarHBondContact O-N 3.32Å; F107-A109 VanDerWaalsContact O-N 3.09Å; F107-L112 HydrophobicContact CB-CD1 4.41Å; F107-L112 HydrophobicContact CD1-CD1 3.69Å; F107-L112 HydrophobicContact CE1-CD1 4.49Å | ||
| 108 | D | 75.6 | Confident | 78.5 | Confident | 47 Ų | 47 | 87.4 Ų | 87.4 | 25% | 0.251 | 48% | 0.479 | S | S | . | . | trans | -74.2 | 92.3 | 152.6 | -173.4 | -17 | 0 | 0 | 0 | 107.4 | K104 R110 A111 L112 | K104-D108 HydrophobicContact CD-CB 4.31Å; K104-D108 WeakPolarHBondContact CD-OD2 3.39Å; K104-D108 WeakPolarHBondContact CE-OD2 3.36Å; K104-D108 IonicContact NZ-OD2 2.69Å; K104-D108 PolarHBondContact NZ-OD2 2.9Å; D108-R110 PolarHBondContact O-N 3.25Å; D108-R110 VanDerWaalsContact O-N 3.11Å; D108-R110 WeakPolarHBondContact OD1-CA 3.46Å; D108-R110 VanDerWaalsContact OD1-CB 3.28Å; D108-R110 WeakPolarHBondContact OD1-CB 3.14Å; D108-R110 PolarHBondContact OD1-N 2.89Å; D108-A111 HydrophobicContact CB-CB 3.84Å; D108-A111 PolarHBondContact O-N 2.99Å; D108-A111 PolarHBondContact OD1-N 2.91Å; D108-L112 PolarHBondContact O-N 3.27Å | ||
| 109 | A | 77.7 | Confident | 78.7 | Confident | 74 Ų | 74 | 89.4 Ų | 89.4 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.6 | -23.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F107 A113 | F107-A109 VanDerWaalsContact C-N 3.27Å; F107-A109 PolarHBondContact O-N 3.32Å; F107-A109 VanDerWaalsContact O-N 3.09Å; A109-A113 VanDerWaalsContact O-CB 3.24Å; A109-A113 WeakPolarHBondContact O-CB 3.45Å; A109-A113 PolarHBondContact O-N 3.3Å |
| 110 | R | 79.9 | Confident | 79.1 | Confident | 117 Ų | 117 | 83.8 Ų | 83.8 | 44% | 0.442 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -77.1 | -43.4 | 175.1 | -171.5 | -178.3 | -178.6 | -132.7 | -1.5 | 111.1 | D108 A113 V114 L163 | D108-R110 PolarHBondContact O-N 3.25Å; D108-R110 VanDerWaalsContact O-N 3.11Å; D108-R110 WeakPolarHBondContact OD1-CA 3.46Å; D108-R110 VanDerWaalsContact OD1-CB 3.28Å; D108-R110 WeakPolarHBondContact OD1-CB 3.14Å; D108-R110 PolarHBondContact OD1-N 2.89Å; R110-A113 PolarHBondContact O-N 3.37Å; R110-V114 WeakPolarHBondContact O-CG2 3.36Å; R110-V114 PolarHBondContact O-N 2.67Å; R110-V114 VanDerWaalsContact O-N 3.08Å; R110-L163 PolarHBondContact NH1-O 3.35Å; R110-L163 PolarHBondContact NH2-O 3Å |
| 111 | A | 81.4 | Confident | 79.7 | Confident | 38 Ų | 38 | 82.2 Ų | 82.2 | 31% | 0.314 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.2 | -52 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | D108 A113 V114 D115 | D108-A111 HydrophobicContact CB-CB 3.84Å; D108-A111 PolarHBondContact O-N 2.99Å; D108-A111 PolarHBondContact OD1-N 2.91Å; A111-A113 VanDerWaalsContact C-N 3.29Å; A111-A113 PolarHBondContact O-N 3.46Å; A111-V114 WeakPolarHBondContact O-CA 3.47Å; A111-V114 WeakPolarHBondContact O-CB 3.35Å; A111-V114 PolarHBondContact O-N 3.01Å; A111-D115 VanDerWaalsContact O-CG 3.25Å; A111-D115 PolarHBondContact O-N 3.01Å |
| 112 | L | 84.8 | Confident | 80.4 | Confident | 60 Ų | 60 | 84.2 Ų | 84.2 | 31% | 0.314 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -53.6 | -42.6 | 174.8 | -79.7 | 159.6 | 0 | 0 | 0 | 112.7 | F107 D108 V114 D115 Y116 | F107-L112 HydrophobicContact CB-CD1 4.41Å; F107-L112 HydrophobicContact CD1-CD1 3.69Å; F107-L112 HydrophobicContact CE1-CD1 4.49Å; D108-L112 PolarHBondContact O-N 3.27Å; L112-V114 VanDerWaalsContact C-N 3.34Å; L112-V114 PolarHBondContact O-N 3.23Å; L112-D115 PolarHBondContact O-N 3.33Å; L112-Y116 HydrophobicContact CD2-CE2 4.18Å; L112-Y116 WeakPolarHBondContact O-CB 3.38Å; L112-Y116 WeakPolarHBondContact O-CD2 3.2Å; L112-Y116 PolarHBondContact O-N 3.35Å |
| 113 | A | 86.6 | Confident | 81.6 | Confident | 59 Ų | 59 | 87.4 Ų | 87.4 | 49% | 0.488 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.5 | -33.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A109 R110 A111 R117 | A109-A113 VanDerWaalsContact O-CB 3.24Å; A109-A113 WeakPolarHBondContact O-CB 3.45Å; A109-A113 PolarHBondContact O-N 3.3Å; R110-A113 PolarHBondContact O-N 3.37Å; A111-A113 VanDerWaalsContact C-N 3.29Å; A111-A113 PolarHBondContact O-N 3.46Å; A113-R117 VanDerWaalsContact O-CB 3.24Å; A113-R117 WeakPolarHBondContact O-CB 3.4Å; A113-R117 PolarHBondContact O-N 2.94Å; A113-R117 VanDerWaalsContact O-N 3.09Å |
| 114 | V | 87.2 | Confident | 83 | Confident | 18 Ų | 18 | 88.3 Ų | 88.3 | 11% | 0.109 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -71.8 | -41.1 | 173.2 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | R110 A111 L112 R117 T118 P160 L163 | R110-V114 WeakPolarHBondContact O-CG2 3.36Å; R110-V114 PolarHBondContact O-N 2.67Å; R110-V114 VanDerWaalsContact O-N 3.08Å; A111-V114 WeakPolarHBondContact O-CA 3.47Å; A111-V114 WeakPolarHBondContact O-CB 3.35Å; A111-V114 PolarHBondContact O-N 3.01Å; L112-V114 VanDerWaalsContact C-N 3.34Å; L112-V114 PolarHBondContact O-N 3.23Å; V114-R117 PolarHBondContact O-N 2.98Å; V114-T118 WeakPolarHBondContact O-CB 3.38Å; V114-T118 PolarHBondContact O-N 3.33Å; V114-T118 PolarHBondContact O-OG1 3.46Å; V114-P160 HydrophobicContact CG1-CB 4.14Å; V114-P160 HydrophobicContact CG1-CG 3.83Å; V114-L163 HydrophobicContact CG1-CD1 4.27Å; V114-L163 HydrophobicContact CG2-CD1 3.5Å |
| 115 | D | 86.8 | Confident | 84.5 | Confident | 80 Ų | 80 | 83 Ų | 83 | 43% | 0.428 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62 | -49.4 | 177.3 | -61.2 | -27 | 0 | 0 | 0 | 111.1 | A111 L112 R117 T118 L119 | A111-D115 VanDerWaalsContact O-CG 3.25Å; A111-D115 PolarHBondContact O-N 3.01Å; L112-D115 PolarHBondContact O-N 3.33Å; D115-R117 VanDerWaalsContact C-N 3.34Å; D115-R117 PolarHBondContact O-N 3.32Å; D115-T118 PolarHBondContact O-N 3.21Å; D115-L119 VanDerWaalsContact O-CB 3.28Å; D115-L119 WeakPolarHBondContact O-CB 3.47Å; D115-L119 PolarHBondContact O-N 3.36Å |
| 116 | Y | 90.6 | Very high | 86.1 | Confident | 164 Ų | 164 | 82.7 Ų | 82.7 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.4 | -38.4 | 175.6 | -80.7 | -63 | 0 | 0 | 0 | 112.6 | L112 G120 | L112-Y116 HydrophobicContact CD2-CE2 4.18Å; L112-Y116 WeakPolarHBondContact O-CB 3.38Å; L112-Y116 WeakPolarHBondContact O-CD2 3.2Å; L112-Y116 PolarHBondContact O-N 3.35Å; Y116-G120 PolarHBondContact O-N 2.98Å |
| 117 | R | 91.3 | Very high | 87.9 | Confident | 175 Ų | 175 | 80.1 Ų | 80.1 | 66% | 0.66 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | 175 | -179.8 | -177.6 | -177.9 | 129.5 | 1.4 | 111.3 | A113 V114 D115 F121 | A113-R117 VanDerWaalsContact O-CB 3.24Å; A113-R117 WeakPolarHBondContact O-CB 3.4Å; A113-R117 PolarHBondContact O-N 2.94Å; A113-R117 VanDerWaalsContact O-N 3.09Å; V114-R117 PolarHBondContact O-N 2.98Å; D115-R117 VanDerWaalsContact C-N 3.34Å; D115-R117 PolarHBondContact O-N 3.32Å; R117-F121 WeakPolarHBondContact O-CB 3.29Å; R117-F121 PolarHBondContact O-N 3.16Å |
| 118 | T | 91.3 | Very high | 89.4 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 14% | 0.135 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.7 | -37.9 | -179 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | V114 D115 R122 | V114-T118 WeakPolarHBondContact O-CB 3.38Å; V114-T118 PolarHBondContact O-N 3.33Å; V114-T118 PolarHBondContact O-OG1 3.46Å; D115-T118 PolarHBondContact O-N 3.21Å; T118-R122 WeakPolarHBondContact O-CG 3.29Å; T118-R122 PolarHBondContact O-N 3.27Å |
| 119 | L | 91.5 | Very high | 90.2 | Very high | 74 Ų | 74 | 74.7 Ų | 74.7 | 39% | 0.387 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -55.1 | 173.4 | -178.9 | 60.3 | 0 | 0 | 0 | 111.5 | D115 F121 R122 E123 | D115-L119 VanDerWaalsContact O-CB 3.28Å; D115-L119 WeakPolarHBondContact O-CB 3.47Å; D115-L119 PolarHBondContact O-N 3.36Å; L119-F121 VanDerWaalsContact C-N 3.28Å; L119-F121 PolarHBondContact O-N 3.06Å; L119-R122 WeakPolarHBondContact O-CB 3.33Å; L119-R122 PolarHBondContact O-N 3.07Å; L119-R122 VanDerWaalsContact O-N 3.11Å; L119-E123 WeakPolarHBondContact O-CG 3.17Å; L119-E123 PolarHBondContact O-N 3.17Å |
| 120 | G | 94.4 | Very high | 90.9 | Very high | 33 Ų | 33 | 77.2 Ų | 77.2 | 34% | 0.34 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64 | -31.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y116 C124 | Y116-G120 PolarHBondContact O-N 2.98Å; G120-C124 WeakPolarHBondContact O-CB 3.5Å; G120-C124 PolarHBondContact O-N 3.35Å |
| 121 | F | 94.8 | Very high | 91.5 | Very high | 55 Ų | 55 | 78.1 Ų | 78.1 | 24% | 0.241 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 171.1 | -171.9 | -88.5 | 0 | 0 | 0 | 111.2 | R117 L119 E123 C124 V125 L151 C154 A155 L158 | R117-F121 WeakPolarHBondContact O-CB 3.29Å; R117-F121 PolarHBondContact O-N 3.16Å; L119-F121 VanDerWaalsContact C-N 3.28Å; L119-F121 PolarHBondContact O-N 3.06Å; F121-E123 VanDerWaalsContact C-N 3.32Å; F121-E123 PolarHBondContact O-N 3.3Å; F121-C124 WeakPolarHBondContact O-CB 3.47Å; F121-C124 PolarHBondContact O-N 3.25Å; F121-V125 HydrophobicContact CD1-CG2 3.91Å; F121-V125 HydrophobicContact CE1-CG2 3.53Å; F121-V125 HydrophobicContact CZ-CG2 4.13Å; F121-V125 WeakPolarHBondContact O-CG2 3.41Å; F121-V125 PolarHBondContact O-N 3.4Å; F121-L151 WeakPolarHBondContact CE1-O 3.44Å; F121-L151 HydrophobicContact CZ-CD2 4.06Å; F121-C154 HydrophobicContact CE1-CB 4.41Å; F121-C154 HydrophobicContact CZ-CB 4Å; F121-A155 HydrophobicContact CD1-CB 3.74Å; F121-A155 HydrophobicContact CE1-CB 3.72Å; F121-L158 HydrophobicContact CB-CD1 4.11Å; F121-L158 HydrophobicContact CD1-CD1 4.17Å; F121-L158 HydrophobicContact CD2-CD1 4.05Å; F121-L158 HydrophobicContact CG-CD1 3.83Å |
| 122 | R | 92.9 | Very high | 91.9 | Very high | 148 Ų | 148 | 77.7 Ų | 77.7 | 56% | 0.558 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.9 | -38.4 | 176.8 | -74 | 173.3 | 62.1 | -95.4 | -3.4 | 112.9 | T118 L119 V125 G126 | T118-R122 WeakPolarHBondContact O-CG 3.29Å; T118-R122 PolarHBondContact O-N 3.27Å; L119-R122 WeakPolarHBondContact O-CB 3.33Å; L119-R122 PolarHBondContact O-N 3.07Å; L119-R122 VanDerWaalsContact O-N 3.11Å; R122-V125 PolarHBondContact O-N 2.91Å; R122-G126 PolarHBondContact O-N 3.5Å |
| 123 | E | 95.4 | Very high | 92.1 | Very high | 125 Ų | 125 | 78.4 Ų | 78.4 | 58% | 0.584 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 173.8 | -70.9 | 175 | 165.8 | 0 | 0 | 111.4 | L119 F121 V125 G126 E127 | L119-E123 WeakPolarHBondContact O-CG 3.17Å; L119-E123 PolarHBondContact O-N 3.17Å; F121-E123 VanDerWaalsContact C-N 3.32Å; F121-E123 PolarHBondContact O-N 3.3Å; E123-V125 PolarHBondContact O-N 3.39Å; E123-G126 PolarHBondContact O-N 2.88Å; E123-E127 PolarHBondContact O-N 3.33Å |
| 124 | C | 95.5 | Very high | 92.2 | Very high | 77 Ų | 77 | 79.4 Ų | 79.4 | 52% | 0.52 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 174.2 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | G120 F121 E127 V128 | G120-C124 WeakPolarHBondContact O-CB 3.5Å; G120-C124 PolarHBondContact O-N 3.35Å; F121-C124 WeakPolarHBondContact O-CB 3.47Å; F121-C124 PolarHBondContact O-N 3.25Å; C124-E127 PolarHBondContact O-N 3.05Å; C124-V128 WeakPolarHBondContact O-CG2 3.39Å; C124-V128 PolarHBondContact O-N 3.04Å |
| 125 | V | 94.7 | Very high | 92 | Very high | 17 Ų | 17 | 83.9 Ų | 83.9 | 10% | 0.103 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 175.7 | -180 | 0 | 0 | 0 | 0 | 111.7 | F121 R122 E123 E127 V128 V129 L151 | F121-V125 HydrophobicContact CD1-CG2 3.91Å; F121-V125 HydrophobicContact CE1-CG2 3.53Å; F121-V125 HydrophobicContact CZ-CG2 4.13Å; F121-V125 WeakPolarHBondContact O-CG2 3.41Å; F121-V125 PolarHBondContact O-N 3.4Å; R122-V125 PolarHBondContact O-N 2.91Å; E123-V125 PolarHBondContact O-N 3.39Å; V125-E127 VanDerWaalsContact C-N 3.29Å; V125-E127 PolarHBondContact O-N 3.4Å; V125-V128 PolarHBondContact O-N 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.46Å; V125-V129 PolarHBondContact O-N 2.94Å; V125-L151 HydrophobicContact CG1-CB 4.03Å; V125-L151 HydrophobicContact CG2-CB 3.73Å; V125-L151 HydrophobicContact CG2-CD1 4.35Å; V125-L151 HydrophobicContact CG2-CG 4.46Å |
| 126 | G | 93.9 | Very high | 91.5 | Very high | 41 Ų | 41 | 83.1 Ų | 83.1 | 42% | 0.423 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R122 E123 V129 R130 | R122-G126 PolarHBondContact O-N 3.5Å; E123-G126 PolarHBondContact O-N 2.88Å; G126-V129 PolarHBondContact O-N 3.39Å; G126-R130 WeakPolarHBondContact O-CB 3.04Å; G126-R130 PolarHBondContact O-N 3.38Å |
| 127 | E | 96.3 | Very high | 90.5 | Very high | 99 Ų | 99 | 78.2 Ų | 78.2 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.5 | -36.6 | 176.5 | -173.3 | 65.3 | 178.3 | 0 | 0 | 112.5 | E123 C124 V125 R130 Y131 | E123-E127 PolarHBondContact O-N 3.33Å; C124-E127 PolarHBondContact O-N 3.05Å; V125-E127 VanDerWaalsContact C-N 3.29Å; V125-E127 PolarHBondContact O-N 3.4Å; E127-R130 PolarHBondContact O-N 2.69Å; E127-R130 IonicContact OE1-CZ 3.47Å; E127-R130 IonicContact OE1-NE 3.42Å; E127-R130 PolarHBondContact OE1-NE 3.25Å; E127-R130 IonicContact OE1-NH2 2.69Å; E127-R130 PolarHBondContact OE1-NH2 3.41Å; E127-R130 IonicContact OE2-CZ 3.6Å; E127-R130 IonicContact OE2-NE 2.76Å; E127-R130 PolarHBondContact OE2-NE 3.48Å; E127-R130 IonicContact OE2-NH2 3.59Å; E127-Y131 WeakPolarHBondContact O-CB 3.22Å; E127-Y131 PolarHBondContact O-N 3.48Å |
| 128 | V | 94.3 | Very high | 89.1 | Confident | 37 Ų | 37 | 80.1 Ų | 80.1 | 22% | 0.224 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 171.1 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | C124 V125 Y131 L132 L147 L151 | C124-V128 WeakPolarHBondContact O-CG2 3.39Å; C124-V128 PolarHBondContact O-N 3.04Å; V125-V128 PolarHBondContact O-N 3.3Å; V128-Y131 PolarHBondContact O-N 2.91Å; V128-L132 HydrophobicContact CG1-CD1 3.92Å; V128-L132 HydrophobicContact CG1-CG 4.47Å; V128-L132 VanDerWaalsContact O-CG 3.31Å; V128-L132 WeakPolarHBondContact O-CG 3.48Å; V128-L132 PolarHBondContact O-N 3.19Å; V128-L147 HydrophobicContact CG1-CD2 4.07Å; V128-L151 HydrophobicContact CB-CD1 4.43Å; V128-L151 HydrophobicContact CG1-CD1 4.09Å; V128-L151 HydrophobicContact CG2-CD1 4.45Å |
| 129 | V | 92.6 | Very high | 87.7 | Confident | 55 Ų | 55 | 83.3 Ų | 83.3 | 33% | 0.333 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 173.6 | 173 | 0 | 0 | 0 | 0 | 110.3 | V125 G126 Y131 L132 S133 V148 | V125-V129 WeakPolarHBondContact O-CG2 3.46Å; V125-V129 PolarHBondContact O-N 2.94Å; G126-V129 PolarHBondContact O-N 3.39Å; V129-Y131 VanDerWaalsContact C-N 3.29Å; V129-Y131 PolarHBondContact O-N 2.94Å; V129-L132 PolarHBondContact O-N 3.37Å; V129-S133 PolarHBondContact O-N 3.02Å; V129-S133 PolarHBondContact O-OG 3.3Å; V129-V148 HydrophobicContact CG2-CB 4.24Å; V129-V148 HydrophobicContact CG2-CG1 3.56Å; V129-V148 HydrophobicContact CG2-CG2 3.57Å |
| 130 | R | 93.1 | Very high | 86.8 | Confident | 127 Ų | 127 | 85.1 Ų | 85.1 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.2 | -39.7 | -180 | -166.1 | -161.5 | 63.1 | 65.8 | -2.6 | 112.2 | G126 E127 S134 | G126-R130 WeakPolarHBondContact O-CB 3.04Å; G126-R130 PolarHBondContact O-N 3.38Å; E127-R130 PolarHBondContact O-N 2.69Å; E127-R130 IonicContact OE1-CZ 3.47Å; E127-R130 IonicContact OE1-NE 3.42Å; E127-R130 PolarHBondContact OE1-NE 3.25Å; E127-R130 IonicContact OE1-NH2 2.69Å; E127-R130 PolarHBondContact OE1-NH2 3.41Å; E127-R130 IonicContact OE2-CZ 3.6Å; E127-R130 IonicContact OE2-NE 2.76Å; E127-R130 PolarHBondContact OE2-NE 3.48Å; E127-R130 IonicContact OE2-NH2 3.59Å; R130-S134 WeakPolarHBondContact O-CB 3.36Å; R130-S134 PolarHBondContact O-N 3.18Å; R130-S134 VanDerWaalsContact O-N 3.14Å; R130-S134 PolarHBondContact O-OG 3.32Å |
| 131 | Y | 92.2 | Very high | 86.1 | Confident | 137 Ų | 137 | 86.1 Ų | 86.1 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.3 | -48.8 | 176.8 | 177.2 | -107.5 | 0 | 0 | 0 | 111.9 | E127 V128 V129 S133 S134 L135 | E127-Y131 WeakPolarHBondContact O-CB 3.22Å; E127-Y131 PolarHBondContact O-N 3.48Å; V128-Y131 PolarHBondContact O-N 2.91Å; V129-Y131 VanDerWaalsContact C-N 3.29Å; V129-Y131 PolarHBondContact O-N 2.94Å; Y131-S133 PolarHBondContact O-N 2.76Å; Y131-S134 WeakPolarHBondContact O-CB 3.38Å; Y131-S134 PolarHBondContact O-N 3.05Å; Y131-L135 HydrophobicContact CD1-CD1 4.15Å; Y131-L135 HydrophobicContact CE1-CD1 3.53Å; Y131-L135 HydrophobicContact CE1-CG 4.46Å; Y131-L135 HydrophobicContact CE2-CD1 4.25Å; Y131-L135 HydrophobicContact CE2-CG 4.47Å; Y131-L135 PolarHBondContact O-N 3.04Å |
| 132 | L | 90.4 | Very high | 85.6 | Confident | 29 Ų | 29 | 87.5 Ų | 87.5 | 15% | 0.152 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 177.6 | -69 | 168.1 | 0 | 0 | 0 | 111.3 | V128 V129 S134 L135 E136 V148 | V128-L132 HydrophobicContact CG1-CD1 3.92Å; V128-L132 HydrophobicContact CG1-CG 4.47Å; V128-L132 VanDerWaalsContact O-CG 3.31Å; V128-L132 WeakPolarHBondContact O-CG 3.48Å; V128-L132 PolarHBondContact O-N 3.19Å; V129-L132 PolarHBondContact O-N 3.37Å; L132-S134 PolarHBondContact O-N 2.65Å; L132-S134 VanDerWaalsContact O-N 3.13Å; L132-L135 WeakPolarHBondContact O-CA 3.47Å; L132-L135 PolarHBondContact O-N 3.01Å; L132-E136 WeakPolarHBondContact O-CG 3.42Å; L132-E136 PolarHBondContact O-N 2.74Å; L132-V148 HydrophobicContact CD1-CG2 3.92Å |
| 133 | S | 88.4 | Confident | 85.3 | Confident | 74 Ų | 74 | 85.5 Ų | 85.5 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.7 | -9.6 | 176.1 | -55.6 | 0 | 0 | 0 | 0 | 114.5 | V129 Y131 E136 | V129-S133 PolarHBondContact O-N 3.02Å; V129-S133 PolarHBondContact O-OG 3.3Å; Y131-S133 PolarHBondContact O-N 2.76Å; S133-E136 WeakPolarHBondContact CA-OE2 3.39Å |
| 134 | S | 88.3 | Confident | 85 | Confident | 80 Ų | 80 | 79.7 Ų | 79.7 | 56% | 0.559 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -89.5 | -15.1 | 169.2 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | R130 Y131 L132 | R130-S134 WeakPolarHBondContact O-CB 3.36Å; R130-S134 PolarHBondContact O-N 3.18Å; R130-S134 VanDerWaalsContact O-N 3.14Å; R130-S134 PolarHBondContact O-OG 3.32Å; Y131-S134 WeakPolarHBondContact O-CB 3.38Å; Y131-S134 PolarHBondContact O-N 3.05Å; L132-S134 PolarHBondContact O-N 2.65Å; L132-S134 VanDerWaalsContact O-N 3.13Å |
| 135 | L | 83.2 | Confident | 84.7 | Confident | 112 Ų | 112 | 79.1 Ų | 79.1 | 59% | 0.586 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -100 | -28.1 | 175.7 | -65.4 | -179.8 | 0 | 0 | 0 | 112.6 | Y131 L132 G137 | Y131-L135 HydrophobicContact CD1-CD1 4.15Å; Y131-L135 HydrophobicContact CE1-CD1 3.53Å; Y131-L135 HydrophobicContact CE1-CG 4.46Å; Y131-L135 HydrophobicContact CE2-CD1 4.25Å; Y131-L135 HydrophobicContact CE2-CG 4.47Å; Y131-L135 PolarHBondContact O-N 3.04Å; L132-L135 WeakPolarHBondContact O-CA 3.47Å; L132-L135 PolarHBondContact O-N 3.01Å; L135-G137 PolarHBondContact O-N 3.15Å |
| 136 | E | 75.3 | Confident | 84.6 | Confident | 65 Ų | 65 | 85.6 Ų | 85.6 | 30% | 0.304 | 48% | 0.48 | S | S | . | . | trans | -67.1 | 113.9 | 177.5 | -75.4 | 171.1 | 128.1 | 0 | 0 | 111.1 | L132 S133 P140 D141 | L132-E136 WeakPolarHBondContact O-CG 3.42Å; L132-E136 PolarHBondContact O-N 2.74Å; S133-E136 WeakPolarHBondContact CA-OE2 3.39Å; E136-P140 WeakPolarHBondContact OE1-CA 3.46Å; E136-D141 HydrophobicContact CG-CB 4.4Å; E136-D141 PolarHBondContact OE1-N 3.35Å | ||
| 137 | G | 70.8 | Confident | 84.6 | Confident | 60 Ų | 60 | 87.3 Ų | 87.3 | 62% | 0.619 | 48% | 0.479 | S | S | * | . | trans | -73.2 | -158.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L135 S139 | L135-G137 PolarHBondContact O-N 3.15Å; G137-S139 PolarHBondContact O-N 3.43Å | ||
| 138 | E | 61.2 | Low | 84.4 | Confident | 216 Ų | 216 | 84.4 Ų | 84.4 | 100% | 1.009 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -65.6 | 12.4 | -167.9 | -157.1 | 162.1 | -170.8 | 0 | 0 | 116.6 | ||
| 139 | S | 63.1 | Low | 84.4 | Confident | 88 Ų | 88 | 86.1 Ų | 86.1 | 62% | 0.615 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -136.8 | 125.4 | 174.4 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | G137 | G137-S139 PolarHBondContact O-N 3.43Š|
| 140 | P | 71.3 | Confident | 84.5 | Confident | 113 Ų | 113 | 89 Ų | 89 | 73% | 0.734 | 49% | 0.491 | S | S | * | . | trans | -68.2 | 134.6 | 177.7 | 28 | -34.2 | 0 | 0 | 0 | 111.7 | E136 P142 | E136-P140 WeakPolarHBondContact OE1-CA 3.46Å; P140-P142 WeakPolarHBondContact O-CD 3.43Å | ||
| 141 | D | 79.6 | Confident | 84.6 | Confident | 54 Ų | 54 | 84.7 Ų | 84.7 | 29% | 0.289 | 48% | 0.477 | S | S | . | . | trans | -77.5 | 116.9 | 178.9 | 170.9 | 28.8 | 0 | 0 | 0 | 111 | E136 I143 G144 A145 | E136-D141 HydrophobicContact CG-CB 4.4Å; E136-D141 PolarHBondContact OE1-N 3.35Å; D141-I143 PolarHBondContact O-N 2.88Å; D141-I143 VanDerWaalsContact O-N 3.16Å; D141-I143 WeakPolarHBondContact OD1-CB 3.41Å; D141-I143 PolarHBondContact OD1-N 3.23Å; D141-I143 WeakPolarHBondContact OD2-CB 3.48Å; D141-G144 PolarHBondContact O-N 3.39Å; D141-G144 PolarHBondContact OD2-N 3.05Å; D141-A145 PolarHBondContact O-N 3.47Å; D141-A145 VanDerWaalsContact O-N 3.13Å | ||
| 142 | P | 84.5 | Confident | 84.6 | Confident | 83 Ų | 83 | 81.3 Ų | 81.3 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.8 | -16.7 | 177.6 | 29.4 | -36.6 | 0 | 0 | 0 | 113.1 | P140 R146 | P140-P142 WeakPolarHBondContact O-CD 3.43Å; P142-R146 WeakPolarHBondContact O-CG 3.43Å; P142-R146 PolarHBondContact O-N 3.14Å; P142-R146 PolarHBondContact O-NH1 2.77Å |
| 143 | I | 86.4 | Confident | 84.6 | Confident | 106 Ų | 106 | 85 Ų | 85 | 54% | 0.544 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -76.7 | -49.8 | 173.7 | -60 | 159.5 | 0 | 0 | 0 | 109.9 | D141 A145 R146 L147 | D141-I143 PolarHBondContact O-N 2.88Å; D141-I143 VanDerWaalsContact O-N 3.16Å; D141-I143 WeakPolarHBondContact OD1-CB 3.41Å; D141-I143 PolarHBondContact OD1-N 3.23Å; D141-I143 WeakPolarHBondContact OD2-CB 3.48Å; I143-A145 VanDerWaalsContact C-N 3.33Å; I143-A145 PolarHBondContact O-N 3.42Å; I143-R146 PolarHBondContact O-N 2.91Å; I143-R146 VanDerWaalsContact O-N 3.08Å; I143-L147 PolarHBondContact O-N 3.34Å |
| 144 | G | 88.9 | Confident | 84.7 | Confident | 4 Ų | 4 | 83.1 Ų | 83.1 | 4% | 0.041 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -51.9 | -47.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D141 R146 L147 V148 | D141-G144 PolarHBondContact O-N 3.39Å; D141-G144 PolarHBondContact OD2-N 3.05Å; G144-R146 VanDerWaalsContact C-N 3.33Å; G144-R146 PolarHBondContact O-N 3.01Å; G144-L147 PolarHBondContact O-N 3.47Å; G144-V148 WeakPolarHBondContact O-CG2 3.41Å; G144-V148 PolarHBondContact O-N 2.92Å |
| 145 | A | 89.1 | Confident | 84.7 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.5 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | D141 I143 S149 | D141-A145 PolarHBondContact O-N 3.47Å; D141-A145 VanDerWaalsContact O-N 3.13Å; I143-A145 VanDerWaalsContact C-N 3.33Å; I143-A145 PolarHBondContact O-N 3.42Å; A145-S149 WeakPolarHBondContact O-CB 3.39Å; A145-S149 PolarHBondContact O-N 3.48Å |
| 146 | R | 93.8 | Very high | 84.8 | Confident | 154 Ų | 154 | 78.3 Ų | 78.3 | 58% | 0.581 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.3 | -38.8 | 175.9 | -72.7 | -169.8 | -51.9 | -90.1 | 9.8 | 112.5 | P142 I143 G144 S149 H150 | P142-R146 WeakPolarHBondContact O-CG 3.43Å; P142-R146 PolarHBondContact O-N 3.14Å; P142-R146 PolarHBondContact O-NH1 2.77Å; I143-R146 PolarHBondContact O-N 2.91Å; I143-R146 VanDerWaalsContact O-N 3.08Å; G144-R146 VanDerWaalsContact C-N 3.33Å; G144-R146 PolarHBondContact O-N 3.01Å; R146-S149 PolarHBondContact O-N 3.08Å; R146-H150 WeakPolarHBondContact O-CB 3.47Å; R146-H150 PolarHBondContact O-N 2.9Å |
| 147 | L | 93.9 | Very high | 85.2 | Confident | 77 Ų | 77 | 80.7 Ų | 80.7 | 40% | 0.403 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 176.6 | 176.4 | 60.2 | 0 | 0 | 0 | 111 | V128 I143 G144 S149 H150 L151 | V128-L147 HydrophobicContact CG1-CD2 4.07Å; I143-L147 PolarHBondContact O-N 3.34Å; G144-L147 PolarHBondContact O-N 3.47Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 3.23Å; L147-H150 PolarHBondContact O-N 3.5Å; L147-L151 HydrophobicContact CD1-CD1 3.96Å; L147-L151 HydrophobicContact CD1-CG 4.1Å; L147-L151 HydrophobicContact CG-CD1 3.99Å; L147-L151 WeakPolarHBondContact O-CB 3.37Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.36Å; L147-L151 PolarHBondContact O-N 3.49Å |
| 148 | V | 93 | Very high | 85.4 | Confident | 38 Ų | 38 | 80 Ų | 80 | 23% | 0.23 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 177.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | V129 L132 G144 L151 S152 | V129-V148 HydrophobicContact CG2-CB 4.24Å; V129-V148 HydrophobicContact CG2-CG1 3.56Å; V129-V148 HydrophobicContact CG2-CG2 3.57Å; L132-V148 HydrophobicContact CD1-CG2 3.92Å; G144-V148 WeakPolarHBondContact O-CG2 3.41Å; G144-V148 PolarHBondContact O-N 2.92Å; V148-L151 PolarHBondContact O-N 3.18Å; V148-S152 WeakPolarHBondContact O-CB 3.47Å; V148-S152 PolarHBondContact O-N 3.3Å; V148-S152 PolarHBondContact O-OG 3.47Å |
| 149 | S | 93.7 | Very high | 85.7 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 51% | 0.51 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 112 | A145 R146 L147 L151 S152 H153 | A145-S149 WeakPolarHBondContact O-CB 3.39Å; A145-S149 PolarHBondContact O-N 3.48Å; R146-S149 PolarHBondContact O-N 3.08Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 3.23Å; S149-L151 PolarHBondContact O-N 3.3Å; S149-S152 PolarHBondContact O-N 3.23Å; S149-S152 PolarHBondContact O-OG 3.33Å; S149-H153 PolarHBondContact O-N 3.16Å |
| 150 | H | 94.8 | Very high | 85.5 | Confident | 116 Ų | 116 | 71.8 Ų | 71.8 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 177.6 | 178.8 | 51.8 | 0 | 0 | 0 | 112.2 | R146 L147 S152 H153 C154 | R146-H150 WeakPolarHBondContact O-CB 3.47Å; R146-H150 PolarHBondContact O-N 2.9Å; L147-H150 PolarHBondContact O-N 3.5Å; H150-S152 VanDerWaalsContact C-N 3.35Å; H150-S152 PolarHBondContact O-N 3.42Å; H150-H153 WeakPolarHBondContact O-CB 3.46Å; H150-H153 PolarHBondContact O-N 2.93Å; H150-C154 PolarHBondContact O-N 3.27Å; H150-C154 PolarHBondContact O-SG 3.21Å |
| 151 | L | 94.7 | Very high | 84.8 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 176.3 | -71.2 | 173.8 | 0 | 0 | 0 | 112.1 | F121 V125 V128 L147 V148 S149 H153 C154 A155 | F121-L151 WeakPolarHBondContact CE1-O 3.44Å; F121-L151 HydrophobicContact CZ-CD2 4.06Å; V125-L151 HydrophobicContact CG1-CB 4.03Å; V125-L151 HydrophobicContact CG2-CB 3.73Å; V125-L151 HydrophobicContact CG2-CD1 4.35Å; V125-L151 HydrophobicContact CG2-CG 4.46Å; V128-L151 HydrophobicContact CB-CD1 4.43Å; V128-L151 HydrophobicContact CG1-CD1 4.09Å; V128-L151 HydrophobicContact CG2-CD1 4.45Å; L147-L151 HydrophobicContact CD1-CD1 3.96Å; L147-L151 HydrophobicContact CD1-CG 4.1Å; L147-L151 HydrophobicContact CG-CD1 3.99Å; L147-L151 WeakPolarHBondContact O-CB 3.37Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.36Å; L147-L151 PolarHBondContact O-N 3.49Å; V148-L151 PolarHBondContact O-N 3.18Å; S149-L151 PolarHBondContact O-N 3.3Å; L151-H153 VanDerWaalsContact C-N 3.28Å; L151-H153 PolarHBondContact O-N 2.77Å; L151-C154 PolarHBondContact O-N 2.98Å; L151-A155 PolarHBondContact O-N 2.98Å |
| 152 | S | 91.3 | Very high | 83.5 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.9 | -33.5 | 176 | 75.1 | 0 | 0 | 0 | 0 | 112.7 | V148 S149 H150 A155 S156 | V148-S152 WeakPolarHBondContact O-CB 3.47Å; V148-S152 PolarHBondContact O-N 3.3Å; V148-S152 PolarHBondContact O-OG 3.47Å; S149-S152 PolarHBondContact O-N 3.23Å; S149-S152 PolarHBondContact O-OG 3.33Å; H150-S152 VanDerWaalsContact C-N 3.35Å; H150-S152 PolarHBondContact O-N 3.42Å; S152-A155 WeakPolarHBondContact O-CB 3.31Å; S152-A155 PolarHBondContact O-N 3.3Å; S152-S156 PolarHBondContact O-N 3Å |
| 153 | H | 91.8 | Very high | 82.1 | Confident | 108 Ų | 108 | 77.7 Ų | 77.7 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.2 | -47.8 | 173.1 | -176.3 | 48.5 | 0 | 0 | 0 | 111.2 | S149 H150 L151 A155 S156 E157 | S149-H153 PolarHBondContact O-N 3.16Å; H150-H153 WeakPolarHBondContact O-CB 3.46Å; H150-H153 PolarHBondContact O-N 2.93Å; L151-H153 VanDerWaalsContact C-N 3.28Å; L151-H153 PolarHBondContact O-N 2.77Å; H153-A155 PolarHBondContact O-N 3.16Å; H153-S156 WeakPolarHBondContact O-CA 3.34Å; H153-S156 WeakPolarHBondContact O-CB 3.48Å; H153-S156 PolarHBondContact O-N 3.48Å; H153-S156 PolarHBondContact O-OG 3.24Å; H153-E157 PolarHBondContact O-N 3.15Å |
| 154 | C | 90.6 | Very high | 80.4 | Confident | 33 Ų | 33 | 80.5 Ų | 80.5 | 22% | 0.223 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.3 | -33.5 | 174.4 | -64.8 | 0 | 0 | 0 | 0 | 112.6 | F121 H150 L151 S156 E157 L158 | F121-C154 HydrophobicContact CE1-CB 4.41Å; F121-C154 HydrophobicContact CZ-CB 4Å; H150-C154 PolarHBondContact O-N 3.27Å; H150-C154 PolarHBondContact O-SG 3.21Å; L151-C154 PolarHBondContact O-N 2.98Å; C154-S156 VanDerWaalsContact C-N 3.27Å; C154-S156 PolarHBondContact O-N 2.9Å; C154-E157 PolarHBondContact O-N 3.23Å; C154-L158 WeakPolarHBondContact O-CG 3.43Å; C154-L158 PolarHBondContact O-N 3.03Å |
| 155 | A | 87.9 | Confident | 78.5 | Confident | 19 Ų | 19 | 84.5 Ų | 84.5 | 16% | 0.157 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.5 | -35 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | F121 L151 S152 H153 | F121-A155 HydrophobicContact CD1-CB 3.74Å; F121-A155 HydrophobicContact CE1-CB 3.72Å; L151-A155 PolarHBondContact O-N 2.98Å; S152-A155 WeakPolarHBondContact O-CB 3.31Å; S152-A155 PolarHBondContact O-N 3.3Å; H153-A155 PolarHBondContact O-N 3.16Å |
| 156 | S | 84.8 | Confident | 76.5 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 51% | 0.51 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76 | -25.8 | 177.8 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | S152 H153 C154 L158 | S152-S156 PolarHBondContact O-N 3Å; H153-S156 WeakPolarHBondContact O-CA 3.34Å; H153-S156 WeakPolarHBondContact O-CB 3.48Å; H153-S156 PolarHBondContact O-N 3.48Å; H153-S156 PolarHBondContact O-OG 3.24Å; C154-S156 VanDerWaalsContact C-N 3.27Å; C154-S156 PolarHBondContact O-N 2.9Å; S156-L158 VanDerWaalsContact C-N 3.32Å |
| 157 | E | 83.3 | Confident | 74.2 | Confident | 114 Ų | 114 | 83.9 Ų | 83.9 | 53% | 0.533 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -77.5 | -16.2 | 175 | -65 | -172.7 | 110.3 | 0 | 0 | 113.5 | H153 C154 D159 | H153-E157 PolarHBondContact O-N 3.15Å; C154-E157 PolarHBondContact O-N 3.23Å; E157-D159 VanDerWaalsContact C-N 3.27Å; E157-D159 PolarHBondContact O-N 3.45Å |
| 158 | L | 76.4 | Confident | 72.1 | Confident | 47 Ų | 47 | 85.8 Ų | 85.8 | 25% | 0.246 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -1.8 | 176.9 | -67.9 | 175.4 | 0 | 0 | 0 | 113.7 | F121 C154 S156 | F121-L158 HydrophobicContact CB-CD1 4.11Å; F121-L158 HydrophobicContact CD1-CD1 4.17Å; F121-L158 HydrophobicContact CD2-CD1 4.05Å; F121-L158 HydrophobicContact CG-CD1 3.83Å; C154-L158 WeakPolarHBondContact O-CG 3.43Å; C154-L158 PolarHBondContact O-N 3.03Å; S156-L158 VanDerWaalsContact C-N 3.32Å |
| 159 | D | 67.4 | Low | 70.2 | Confident | 83 Ų | 83 | 88.1 Ų | 88.1 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -61.9 | 140.1 | -176.7 | -166.6 | 64.7 | 0 | 0 | 0 | 112.2 | E157 L161 | E157-D159 VanDerWaalsContact C-N 3.27Å; E157-D159 PolarHBondContact O-N 3.45Å; D159-L161 PolarHBondContact O-N 3.01Å |
| 160 | P | 59.2 | Low | 68 | Low | 48 Ų | 48 | 89.5 Ų | 89.5 | 31% | 0.312 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -62.2 | -15.4 | -164.4 | -24 | 33.1 | 0 | 0 | 0 | 116.4 | V114 L162 L163 | V114-P160 HydrophobicContact CG1-CB 4.14Å; V114-P160 HydrophobicContact CG1-CG 3.83Å; P160-L162 VanDerWaalsContact C-N 3.26Å; P160-L162 PolarHBondContact O-N 3.28Å; P160-L163 PolarHBondContact O-N 3.48Å |
| 161 | L | 56.6 | Low | 65.7 | Low | 146 Ų | 146 | 91.3 Ų | 91.3 | 76% | 0.764 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -68.1 | -19.1 | -172.9 | -60.1 | -177 | 0 | 0 | 0 | 114.2 | D159 | D159-L161 PolarHBondContact O-N 3.01Š|
| 162 | L | 52.6 | Low | 63.7 | Low | 144 Ų | 144 | 95.1 Ų | 95.1 | 75% | 0.754 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -88.8 | -5.4 | 175.8 | -59.8 | -174.1 | 0 | 0 | 0 | 114 | P160 Q164 | P160-L162 VanDerWaalsContact C-N 3.26Å; P160-L162 PolarHBondContact O-N 3.28Å; L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 3.49Å |
| 163 | L | 53.9 | Low | 61.8 | Low | 84 Ų | 84 | 100 Ų | 100 | 44% | 0.44 | 58% | 0.584 | S | S | . | * | trans | -96.1 | 33.2 | -179.6 | -72.7 | 174.2 | 0 | 0 | 0 | 113.5 | R110 V114 P160 | R110-L163 PolarHBondContact NH1-O 3.35Å; R110-L163 PolarHBondContact NH2-O 3Å; V114-L163 HydrophobicContact CG1-CD1 4.27Å; V114-L163 HydrophobicContact CG2-CD1 3.5Å; P160-L163 PolarHBondContact O-N 3.48Å | ||
| 164 | Q | 51.2 | Low | 60.1 | Low | 165 Ų | 165 | 100.5 Ų | 100.5 | 77% | 0.771 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 134.1 | 160.9 | -173 | 170.5 | -28.5 | 0 | 0 | 109.1 | L162 | L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 3.49Å |
| 165 | P | 48.4 | Very low | 58.4 | Low | 87 Ų | 87 | 104.7 Ų | 104.7 | 57% | 0.565 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 132 | 175.6 | -18.3 | 30.2 | 0 | 0 | 0 | 109.2 | ||
| 166 | P | 47.6 | Very low | 56.8 | Low | 102 Ų | 102 | 113.8 Ų | 113.8 | 66% | 0.662 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 143.3 | 161.3 | 27.6 | -32.9 | 0 | 0 | 0 | 107.9 | A168 | P166-A168 PolarHBondContact O-N 3.16Š|
| 167 | P | 44.4 | Very low | 55.2 | Low | 103 Ų | 103 | 114.8 Ų | 114.8 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 143 | 164.7 | 25.8 | -33.1 | 0 | 0 | 0 | 108.4 | S169 | P167-S169 PolarHBondContact O-N 2.85Š|
| 168 | A | 51.1 | Low | 53.9 | Low | 118 Ų | 118 | 118.9 Ų | 118.9 | 98% | 0.975 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -74.3 | 44.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P166 | P166-A168 PolarHBondContact O-N 3.16Š|
| 169 | S | 51.9 | Low | 52.8 | Low | 87 Ų | 87 | 122.6 Ų | 122.6 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | trans | -139 | 126.4 | -176.1 | 52.8 | 0 | 0 | 0 | 0 | 109.3 | P167 | P167-S169 PolarHBondContact O-N 2.85Š| ||
| 170 | A | 47.5 | Very low | 52.2 | Low | 102 Ų | 102 | 123.4 Ų | 123.4 | 84% | 0.843 | 71% | 0.707 | S | S | * | * | trans | 77.8 | 72.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 171 | L | 46.6 | Very low | 52.1 | Low | 153 Ų | 153 | 129.1 Ų | 129.1 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | trans | -103.2 | 133.8 | 138.6 | -67.7 | -178.2 | 0 | 0 | 0 | 108.2 | F173 | L171-F173 VanDerWaalsContact C-N 3.27Å; L171-F173 PolarHBondContact O-N 2.86Å | ||
| 172 | P | 53.1 | Low | 51.9 | Low | 116 Ų | 116 | 127.4 Ų | 127.4 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | -86.1 | 12.2 | -173.4 | 35.4 | -37.1 | 0 | 0 | 0 | 114.1 | ||||
| 173 | F | 51.8 | Low | 52.1 | Low | 169 Ų | 169 | 126.4 Ų | 126.4 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -112.6 | 133.9 | -178.7 | -63.9 | -76.2 | 0 | 0 | 0 | 110.6 | L171 | L171-F173 VanDerWaalsContact C-N 3.27Å; L171-F173 PolarHBondContact O-N 2.86Å |
| 174 | P | 54.9 | Low | 52.4 | Low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -67 | 138.9 | 177.6 | 28.3 | -34 | 0 | 0 | 0 | 110.5 | ||
| 175 | P | 56.3 | Low | 52.5 | Low | 121 Ų | 121 | 126.2 Ų | 126.2 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 140.7 | 174.7 | 26.9 | -33.7 | 0 | 0 | 0 | 111 | ||
| 176 | W | 54.5 | Low | 52.6 | Low | 210 Ų | 210 | 128 Ų | 128 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 147 | 177.9 | -99.4 | -36.4 | 0 | 0 | 0 | 112.3 | W178 | W176-W178 PolarHBondContact O-N 2.78Š|
| 177 | P | 50.4 | Low | 52.6 | Low | 94 Ų | 94 | 127.9 Ų | 127.9 | 61% | 0.61 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -81.7 | 36.2 | -166 | 35.6 | -38.8 | 0 | 0 | 0 | 114.8 | T179 | P177-T179 PolarHBondContact O-N 3.16Š|
| 178 | W | 57.3 | Low | 52.7 | Low | 201 Ų | 201 | 129.3 Ų | 129.3 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 1.7 | 171.6 | -70.2 | -28.5 | 0 | 0 | 0 | 113.7 | W176 S180 F181 | W176-W178 PolarHBondContact O-N 2.78Å; W178-S180 VanDerWaalsContact C-N 3.27Å; W178-F181 VanDerWaalsContact O-CD2 3.24Å; W178-F181 WeakPolarHBondContact O-CD2 3.01Å; W178-F181 VanDerWaalsContact O-CE2 3.3Å; W178-F181 WeakPolarHBondContact O-CE2 3.39Å |
| 179 | T | 52.6 | Low | 52.7 | Low | 124 Ų | 124 | 129.1 Ų | 129.1 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -7.5 | 172.5 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | P177 F181 | P177-T179 PolarHBondContact O-N 3.16Å; T179-F181 PolarHBondContact O-N 3.11Å |
| 180 | S | 53.6 | Low | 52.5 | Low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -82.3 | 47.3 | 177.3 | -61.4 | 0 | 0 | 0 | 0 | 113.4 | W178 | W178-S180 VanDerWaalsContact C-N 3.27Š| ||
| 181 | F | 58.6 | Low | 52.3 | Low | 168 Ų | 168 | 130.7 Ų | 130.7 | 74% | 0.737 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 128.1 | 159.2 | -71.3 | -76.1 | 0 | 0 | 0 | 108.3 | W178 T179 | W178-F181 VanDerWaalsContact O-CD2 3.24Å; W178-F181 WeakPolarHBondContact O-CD2 3.01Å; W178-F181 VanDerWaalsContact O-CE2 3.3Å; W178-F181 WeakPolarHBondContact O-CE2 3.39Å; T179-F181 PolarHBondContact O-N 3.11Å |
| 182 | P | 52.9 | Low | 52.2 | Low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 133.9 | 174.3 | 26.4 | -33 | 0 | 0 | 0 | 108.8 | I184 | P182-I184 PolarHBondContact O-N 3.41Š|
| 183 | P | 56.4 | Low | 52 | Low | 123 Ų | 123 | 128.6 Ų | 128.6 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 123.3 | 175.7 | 25.9 | -32.8 | 0 | 0 | 0 | 108.7 | A185 | P183-A185 PolarHBondContact O-N 3.44Š|
| 184 | I | 59.5 | Low | 51.8 | Low | 166 Ų | 166 | 125.8 Ų | 125.8 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -62.8 | 107.4 | 169.1 | -65.9 | 173.7 | 0 | 0 | 0 | 106.5 | P182 | P182-I184 PolarHBondContact O-N 3.41Š| ||
| 185 | A | 53 | Low | 51.1 | Low | 79 Ų | 79 | 126 Ų | 126 | 65% | 0.653 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 134.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P183 A187 | P183-A185 PolarHBondContact O-N 3.44Å; A185-A187 PolarHBondContact O-N 2.97Å |
| 186 | P | 51.1 | Low | 50.4 | Low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.3 | 172.2 | 27 | -32.8 | 0 | 0 | 0 | 109 | T188 | P186-T188 PolarHBondContact O-N 3.18Š|
| 187 | A | 46.9 | Very low | 50.1 | Low | 100 Ų | 100 | 125.2 Ų | 125.2 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 128.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A185 | A185-A187 PolarHBondContact O-N 2.97Š|
| 188 | T | 47.5 | Very low | 49.4 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 129 | 175.6 | -35.1 | 0 | 0 | 0 | 0 | 110 | P186 A190 | P186-T188 PolarHBondContact O-N 3.18Å; T188-A190 PolarHBondContact O-N 2.92Å |
| 189 | P | 51.2 | Low | 48.4 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 136 | 169.2 | 27.5 | -32.7 | 0 | 0 | 0 | 109.6 | ||
| 190 | A | 46.2 | Very low | 47.6 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 147.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T188 S192 | T188-A190 PolarHBondContact O-N 2.92Å; A190-S192 PolarHBondContact O-N 3.42Å |
| 191 | P | 45.2 | Very low | 47.1 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 131.8 | 178.9 | 26.4 | -34 | 0 | 0 | 0 | 111.3 | ||
| 192 | S | 42.8 | Very low | 45.9 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 144.9 | 175.4 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | A190 | A190-S192 PolarHBondContact O-N 3.42Š|
| 193 | S | 49.2 | Very low | 45.3 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 156 | 176.9 | -36 | 0 | 0 | 0 | 0 | 114.3 | ||
| 194 | P | 47.1 | Very low | 44.3 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 150.8 | -174 | 28.9 | -36.3 | 0 | 0 | 0 | 114 | ||
| 195 | S | 40.5 | Very low | 43.2 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 132.7 | 176.7 | -46.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 196 | F | 42.3 | Very low | 42.5 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 136.3 | 164.3 | -74.6 | -84.1 | 0 | 0 | 0 | 110.5 | ||
| 197 | P | 48 | Very low | 41.5 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 142.3 | 174.8 | 31.4 | -33.6 | 0 | 0 | 0 | 111.2 | ||
| 198 | S | 35.6 | Very low | 40.9 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 126.9 | 174.5 | -166.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 199 | G | 35.4 | Very low | 40.5 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -170.6 | 113.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 200 | R | 35.9 | Very low | 40.7 | Very low | 219 Ų | 219 | 136.5 Ų | 136.5 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | 70.1 | 113.4 | 164.8 | -64 | 177.5 | 62.5 | 176.2 | -0.9 | 119.7 | ||||
| 201 | R | 44.4 | Very low | 40.3 | Very low | 213 Ų | 213 | 137.4 Ų | 137.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | 23.7 | 125 | 115.8 | -43.2 | 170.3 | -165.6 | 158 | 3.4 | 115.3 | |||||
| 202 | D | 33.6 | Very low | 39.8 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | -174.4 | 155.9 | 64.3 | -97 | -57 | 0 | 0 | 0 | 114.1 | |||||
| 203 | L | 39.2 | Very low | 39.6 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 51.3 | 149.7 | 146 | -65.2 | 170.4 | 0 | 0 | 0 | 125.7 | ||||
| 204 | A | 35.6 | Very low | 39 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | 72.7 | 150.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 205 | L | 37.1 | Very low | 38.5 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | cis | -166.6 | 162.9 | -29.3 | -157.3 | 78.4 | 0 | 0 | 0 | 108.3 | ||||
| 206 | L | 37.4 | Very low | 38.2 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | 71.7 | 125.6 | 159.1 | -77.2 | 161 | 0 | 0 | 0 | 122.5 | ||||
| 207 | G | 30.1 | Very low | 37.7 | Very low | 71 Ų | 71 | 140.8 Ų | 140.8 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 74.3 | 150.5 | 145.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 208 | S | 34.2 | Very low | 37.3 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | cis | -158.5 | 166.9 | -6.8 | -83.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 209 | Y | 38.7 | Very low | 37.4 | Very low | 221 Ų | 221 | 139 Ų | 139 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -24.8 | 147.4 | 177 | -76 | -96.6 | 0 | 0 | 0 | 120.5 | ||||
| 210 | P | 55.9 | Low | 37.4 | Very low | 123 Ų | 123 | 144 Ų | 144 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -89.9 | 145.1 | 160.8 | 36.3 | -30.9 | 0 | 0 | 0 | 112.4 | ||||
| 211 | S | 37.2 | Very low | 37.3 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -153.7 | 125.7 | 162.7 | -165.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 212 | S | 35.8 | Very low | 36.6 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 56.5 | 109 | 140.7 | -50.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 213 | A | 39.4 | Very low | 36.8 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | 52 | 130.3 | 123.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 214 | S | 35.4 | Very low | 36.6 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | -167.3 | 149.2 | 119 | -85.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 215 | L | 36.3 | Very low | 36.5 | Very low | 166 Ų | 166 | 134 Ų | 134 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -89.6 | 144.1 | 170.5 | -64.7 | 157.8 | 0 | 0 | 0 | 109.8 | ||||
| 216 | R | 34 | Very low | 36.2 | Very low | 218 Ų | 218 | 130.5 Ų | 130.5 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | 159.6 | 142.1 | 117 | -91.6 | -169.5 | 166.6 | -128.1 | -1.6 | 115 | |||||
| 217 | L | 32.5 | Very low | 36.3 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | 36.3 | 138 | 137.7 | -70.8 | 152.3 | 0 | 0 | 0 | 121.8 | ||||
| 218 | A | 39.1 | Very low | 37.5 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -67.1 | 161.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 219 | P | 38.7 | Very low | 38.4 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | trans | -116 | 162.2 | 147.7 | 36.1 | -26.9 | 0 | 0 | 0 | 113.3 | ||||
| 220 | L | 35.5 | Very low | 38.2 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -93.3 | 169.4 | -177.8 | -108.8 | 152.9 | 0 | 0 | 0 | 112.6 | ||||
| 221 | A | 34.2 | Very low | 37.1 | Very low | 98 Ų | 98 | 129 Ų | 129 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 85.3 | 136.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 222 | G | 29.7 | Very low | 36.9 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 175.1 | 69.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 223 | C | 36.4 | Very low | 37.7 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -74.4 | 160.6 | -179.4 | -66.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 224 | Q | 36.4 | Very low | 37.4 | Very low | 151 Ų | 151 | 130 Ų | 130 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 147 | 139 | 150.5 | -78 | -39.1 | 53.7 | 0 | 0 | 108.1 | ||||
| 225 | Q | 33.3 | Very low | 37.5 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | -164.6 | 137.9 | -21.5 | -137.4 | 172.2 | 6.7 | 0 | 0 | 106.5 | ||||
| 226 | G | 30.9 | Very low | 37.5 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 169.9 | 110.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 227 | A | 38.3 | Very low | 37.5 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -115.1 | -171.8 | -158.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 228 | P | 56 | Low | 37.7 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | -121.7 | -147 | -127.4 | 32.8 | -5.9 | 0 | 0 | 0 | 109.4 | |||||
| 229 | P | 51.9 | Low | 37.8 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | cis | -143.7 | 170.8 | 1.2 | 43.5 | -23.2 | 0 | 0 | 0 | 119.5 | ||||
| 230 | L | 35.5 | Very low | 37.7 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | 20.7 | 134.5 | 139.6 | -57 | 169.3 | 0 | 0 | 0 | 120.3 | ||||
| 231 | L | 33.2 | Very low | 37.7 | Very low | 177 Ų | 177 | 128 Ų | 128 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | -168.4 | 153.8 | 108.5 | -99.8 | 165.3 | 0 | 0 | 0 | 111.7 | |||||
| 232 | A | 32.4 | Very low | 38 | Very low | 81 Ų | 81 | 130 Ų | 130 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -126.8 | -171.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 233 | P | 53.7 | Low | 38.1 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | -111.2 | -157.6 | -62.1 | 37.9 | -25.7 | 0 | 0 | 0 | 110.2 | |||||
| 234 | T | 33 | Very low | 37.8 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | 108.8 | 116.1 | 160.3 | -42.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 235 | A | 35.8 | Very low | 37.9 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -155.4 | 148.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 236 | L | 36.2 | Very low | 38.2 | Very low | 165 Ų | 165 | 128.7 Ų | 128.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -86.2 | 163.2 | -168.3 | -143.2 | 80.9 | 0 | 0 | 0 | 113.6 | ||||
| 237 | A | 34.5 | Very low | 38.4 | Very low | 85 Ų | 85 | 129 Ų | 129 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | trans | -17.9 | 149.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 238 | S | 37.2 | Very low | 38.3 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -140.4 | 119.7 | 136.8 | -167.8 | 0 | 0 | 0 | 0 | 111.4 | H240 | S238-H240 PolarHBondContact OG-CD2 3.07Š| ||
| 239 | I | 40.9 | Very low | 38.1 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | -99.3 | 126.5 | 166.8 | -65.6 | 171.6 | 0 | 0 | 0 | 106.1 | ||||
| 240 | H | 37.4 | Very low | 37.3 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -119 | 132.4 | 165.8 | -97.2 | -91.5 | 0 | 0 | 0 | 111.7 | S238 | S238-H240 PolarHBondContact OG-CD2 3.07Š| ||
| 241 | R | 35.8 | Very low | 37.3 | Very low | 227 Ų | 227 | 130 Ų | 130 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -87.7 | 149.5 | 177.7 | -72.2 | -180 | 174.3 | 176.3 | -1.9 | 111.5 | ||||
| 242 | V | 40.4 | Very low | 37.1 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | 7.4 | 133.4 | 145.3 | -168 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 243 | A | 30 | Very low | 37.4 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -128.7 | 152.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 244 | S | 31.7 | Very low | 36.5 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -105.7 | 176.8 | -164 | 50.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 245 | L | 37.3 | Very low | 36.6 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -47.5 | 166.2 | 179 | -76.1 | 71.6 | 0 | 0 | 0 | 115.6 | ||||
| 246 | P | 40.6 | Very low | 36.9 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | -121.4 | 158.8 | 116.5 | 36.2 | -33.5 | 0 | 0 | 0 | 114 | |||||
| 247 | S | 35.6 | Very low | 36.7 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | -121.6 | 165.4 | -176.6 | -51.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 248 | S | 36.3 | Very low | 36.8 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 77.8 | 161.1 | 154.7 | -59.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 249 | P | 51.2 | Low | 37.1 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | cis | -126.8 | -166.6 | 13.7 | 41.4 | -23.8 | 0 | 0 | 0 | 116.3 | ||||
| 250 | A | 35.2 | Very low | 36.8 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -129.5 | -171.6 | -161.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 251 | L | 35.1 | Very low | 37.5 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | trans | 95.3 | 129.1 | 163.7 | -62.8 | 157.8 | 0 | 0 | 0 | 118.7 | ||||
| 252 | G | 30 | Very low | 37.3 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 173.7 | 101.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 253 | H | 38.2 | Very low | 36.9 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -79 | 149.4 | -173.7 | -65.2 | 57.9 | 0 | 0 | 0 | 113.9 | ||||
| 254 | S | 33.7 | Very low | 37.1 | Very low | 127 Ų | 127 | 127 Ų | 127 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | 178.4 | 134.6 | 131.6 | 35.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 255 | R | 34.7 | Very low | 37.1 | Very low | 225 Ų | 225 | 127.2 Ų | 127.2 | 85% | 0.849 | 76% | 0.759 | S | S | * | * | trans | -87.8 | 166.4 | 148.9 | -115.8 | 177.3 | 68.3 | -174.9 | 2.3 | 107.4 | ||||
| 256 | P | 43.6 | Very low | 36.8 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -129.6 | -157.6 | 33.4 | 40.2 | -19.3 | 0 | 0 | 0 | 111.8 | ||||
| 257 | N | 31.2 | Very low | 36.4 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | cis | -152.1 | 179 | 4.5 | -155.5 | 15.9 | 0 | 0 | 0 | 113 | ||||
| 258 | Q | 36.2 | Very low | 36.5 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | trans | -87.2 | 168 | 160.3 | -147.7 | -151.5 | 32.5 | 0 | 0 | 110.4 | S260 | Q258-S260 PolarHBondContact NE2-OG 3.1Š| ||
| 259 | P | 44.2 | Very low | 37.2 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | -144.1 | 153.5 | 85.8 | 37.4 | -21.5 | 0 | 0 | 0 | 115.9 | |||||
| 260 | S | 35.4 | Very low | 36.6 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 57% | 0.566 | 76% | 0.761 | S | S | * | * | trans | -101.5 | 153.4 | 154.9 | -57.7 | 0 | 0 | 0 | 0 | 109.7 | Q258 | Q258-S260 PolarHBondContact NE2-OG 3.1Š| ||
| 261 | P | 50.9 | Low | 37.3 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | trans | -137.4 | 125.2 | 142.7 | 20 | 1.3 | 0 | 0 | 0 | 115 | ||||
| 262 | H | 32.3 | Very low | 37.3 | Very low | 167 Ų | 167 | 127 Ų | 127 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 24.3 | 122.4 | 142.8 | 4.1 | -76.9 | 0 | 0 | 0 | 119.9 | ||||
| 263 | S | 31.7 | Very low | 38.7 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | 83.7 | 119.1 | 66.5 | -64.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 264 | T | 33.7 | Very low | 38.3 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | trans | 139.7 | 147.9 | 152.8 | 47 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 265 | T | 32.4 | Very low | 38.4 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | cis | -169.3 | 163.5 | -9.6 | -97.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 266 | C | 31.2 | Very low | 38.4 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 69.7 | 152.6 | 169.5 | -76.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 267 | A | 32.2 | Very low | 38 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | cis | -164.2 | 146 | -24.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 268 | S | 37.7 | Very low | 38.3 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -69.3 | 161.9 | 158.4 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 269 | P | 49.8 | Very low | 38.7 | Very low | 126 Ų | 126 | 116.8 Ų | 116.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -147.1 | -179.6 | 36.3 | 40.7 | -18.7 | 0 | 0 | 0 | 119.1 | ||||
| 270 | L | 40.1 | Very low | 39 | Very low | 138 Ų | 138 | 117 Ų | 117 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | -51.9 | 161.2 | 160.4 | -100.4 | 93.6 | 0 | 0 | 0 | 113.5 | L272 | L270-L272 HydrophobicContact CD2-CD1 3.71Š| ||
| 271 | P | 48.4 | Very low | 38.8 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | -149.7 | 174.4 | 63.5 | 38.7 | -16.3 | 0 | 0 | 0 | 120.7 | |||||
| 272 | L | 35.2 | Very low | 38.1 | Very low | 140 Ų | 140 | 120 Ų | 120 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -67.1 | -171.5 | 170.8 | -97.7 | 74.6 | 0 | 0 | 0 | 114.1 | L270 | L270-L272 HydrophobicContact CD2-CD1 3.71Š| ||
| 273 | P | 59.3 | Low | 38.2 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | cis | -140.3 | -177.8 | -29.1 | 34.4 | -14.4 | 0 | 0 | 0 | 115.3 | ||||
| 274 | T | 30.6 | Very low | 38.4 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -169.7 | 111.3 | 148.7 | -85.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 275 | A | 35.2 | Very low | 38.5 | Very low | 83 Ų | 83 | 117.4 Ų | 117.4 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | 68.1 | 139.9 | 79.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 276 | S | 34.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | cis | -170.4 | 143.6 | -10.9 | -89.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 277 | S | 35.4 | Very low | 38.9 | Very low | 116 Ų | 116 | 119 Ų | 119 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -164.2 | 89 | 150.6 | 48.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 278 | S | 36.7 | Very low | 39 | Very low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -26.6 | 156.5 | 136.2 | 45.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 279 | S | 44.9 | Very low | 39 | Very low | 111 Ų | 111 | 120 Ų | 120 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | cis | 178.4 | -170.7 | 6.5 | -96.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 280 | P | 51 | Low | 38.3 | Very low | 122 Ų | 122 | 120 Ų | 120 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | cis | -126.7 | 179.8 | -11.4 | 21.1 | 3.8 | 0 | 0 | 0 | 114.8 | ||||
| 281 | C | 31.5 | Very low | 38.4 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | trans | -85 | 164.8 | 176.2 | 52.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 282 | S | 35.3 | Very low | 38.6 | Very low | 130 Ų | 130 | 117.1 Ų | 117.1 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -151.4 | 145.4 | 134.1 | -86.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 283 | S | 34.7 | Very low | 38.9 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -124 | 144.9 | -162.7 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 284 | S | 36.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -142.5 | 131.1 | 153.4 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 285 | S | 35.7 | Very low | 38.4 | Very low | 113 Ų | 113 | 118.7 Ų | 118.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -100 | 141 | -171 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 286 | T | 35.2 | Very low | 38.7 | Very low | 154 Ų | 154 | 119.3 Ų | 119.3 | 95% | 0.945 | 80% | 0.799 | S | S | * | * | trans | -151.1 | 141.1 | 143.1 | 25.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 287 | S | 37.3 | Very low | 38.9 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -97.9 | 138.9 | -174.7 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 288 | S | 34.8 | Very low | 39.8 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -171.8 | 118 | 141.5 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 289 | S | 36 | Very low | 40 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 23.7 | 115.7 | 147.1 | 55.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 290 | S | 35.4 | Very low | 39.9 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -72 | 133.4 | 165.3 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 291 | A | 42.9 | Very low | 39.5 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -130.5 | 142.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 292 | P | 51.6 | Low | 39.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -74.5 | 152.9 | -176.9 | 30.5 | -35.1 | 0 | 0 | 0 | 112.4 | Q294 | P292-Q294 PolarHBondContact O-N 3.47Š| ||
| 293 | P | 43.2 | Very low | 40 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -71.7 | 116.2 | -175.8 | 28.5 | -34.2 | 0 | 0 | 0 | 112.1 | V295 | P293-V295 PolarHBondContact O-N 2.87Š| ||
| 294 | Q | 37 | Very low | 40 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -76.2 | 113.9 | 170.5 | -74.9 | -73 | 2.4 | 0 | 0 | 110.5 | P292 S296 | P292-Q294 PolarHBondContact O-N 3.47Å; Q294-S296 PolarHBondContact O-N 3.1Å | ||
| 295 | V | 41 | Very low | 40.1 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 67% | 0.667 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 105.1 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | P293 F297 | P293-V295 PolarHBondContact O-N 2.87Å; V295-F297 HydrophobicContact CG1-CE2 4.4Å; V295-F297 PolarHBondContact O-N 3.11Å | ||
| 296 | S | 42.4 | Very low | 40.5 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | -74.2 | 104.5 | 180 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | Q294 R298 | Q294-S296 PolarHBondContact O-N 3.1Å; S296-R298 PolarHBondContact O-N 2.89Å | ||
| 297 | F | 39.6 | Very low | 40.4 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | trans | -72.7 | 116.6 | 165.6 | -75.3 | -91.8 | 0 | 0 | 0 | 110 | V295 | V295-F297 HydrophobicContact CG1-CE2 4.4Å; V295-F297 PolarHBondContact O-N 3.11Å | ||
| 298 | R | 52.8 | Low | 40.4 | Very low | 215 Ų | 215 | 131.9 Ų | 131.9 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -105 | 116.5 | 166.4 | -71.8 | -177.3 | 176.7 | -107.1 | 0.9 | 109.1 | S296 | S296-R298 PolarHBondContact O-N 2.89Š| ||
| 299 | P | 42 | Very low | 40.4 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 136.6 | 166.8 | 29 | -31.9 | 0 | 0 | 0 | 109.4 | A301 | P299-A301 PolarHBondContact O-N 3.43Š|
| 300 | F | 43.3 | Very low | 40.4 | Very low | 209 Ų | 209 | 139.8 Ų | 139.8 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 124.4 | 172.7 | -88.8 | -94.8 | 0 | 0 | 0 | 110.1 | ||
| 301 | A | 41.2 | Very low | 40.4 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79 | 132.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P299 | P299-A301 PolarHBondContact O-N 3.43Š|
| 302 | P | 38.1 | Very low | 39.9 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 133.7 | 174.4 | -13.7 | 27.2 | 0 | 0 | 0 | 110.7 | G304 | P302-G304 PolarHBondContact O-N 3Š|
| 303 | L | 40.3 | Very low | 39.4 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -73 | 92.2 | 175.6 | -170.4 | 71.7 | 0 | 0 | 0 | 110 | S305 | L303-S305 PolarHBondContact O-N 2.79Š| ||
| 304 | G | 34.1 | Very low | 39 | Very low | 69 Ų | 69 | 148.2 Ų | 148.2 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -74.7 | 117.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P302 | P302-G304 PolarHBondContact O-N 3Š| ||
| 305 | S | 37.8 | Very low | 38.9 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -62.8 | 136.2 | 169.6 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | L303 I307 | L303-S305 PolarHBondContact O-N 2.79Å; S305-I307 PolarHBondContact O-N 2.86Å | ||
| 306 | P | 43.7 | Very low | 38.6 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | trans | -76.2 | 108.3 | 178.3 | 29.5 | -33 | 0 | 0 | 0 | 111.4 | ||||
| 307 | I | 34.6 | Very low | 38.4 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 82% | 0.821 | 82% | 0.824 | S | S | * | * | trans | -74 | 120.6 | 156.6 | -89.7 | 171.5 | 0 | 0 | 0 | 107.9 | S305 | S305-I307 PolarHBondContact O-N 2.86Š| ||
| 308 | A | 37.1 | Very low | 38.3 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | -100.7 | 125.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 309 | Q | 34.3 | Very low | 37.9 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -144.9 | 136.2 | 175.2 | -136.6 | -171.4 | 6.2 | 0 | 0 | 113.4 | ||||
| 310 | R | 36.2 | Very low | 38.4 | Very low | 224 Ų | 224 | 139.2 Ų | 139.2 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 68.2 | 142.5 | 178.1 | -67.8 | 178.5 | 168.1 | -102.8 | -2.3 | 114.7 | ||||
| 311 | R | 34.8 | Very low | 38.4 | Very low | 230 Ų | 230 | 138.7 Ų | 138.7 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | cis | -148.1 | 147.4 | 35.2 | -153.2 | 171 | -64.9 | -173.7 | -0.1 | 112.7 | ||||
| 312 | S | 33.7 | Very low | 38.1 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | -81.1 | 140 | 174 | 165.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 313 | L | 41.3 | Very low | 38.2 | Very low | 173 Ų | 173 | 144 Ų | 144 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | trans | -146.4 | 149.5 | 149.7 | -80.5 | -176.6 | 0 | 0 | 0 | 109.8 | ||||
| 314 | S | 34.8 | Very low | 38.6 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -90 | 146.8 | -168.9 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 315 | G | 33.2 | Very low | 39.4 | Very low | 82 Ų | 82 | 142.5 Ų | 142.5 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | -167.6 | 141.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 316 | A | 36.2 | Very low | 40.2 | Very low | 95 Ų | 95 | 146.4 Ų | 146.4 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | trans | -107 | 161 | -161 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 317 | S | 38.1 | Very low | 40.3 | Very low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | 97.7 | 141.7 | 145.7 | 79.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 318 | K | 37.4 | Very low | 41.1 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | trans | 74.3 | 115.6 | 169.2 | -80.7 | 178.5 | 170.2 | 177.6 | 0 | 120.3 | ||||
| 319 | A | 44.3 | Very low | 41.3 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -91.1 | 172.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 320 | P | 51.2 | Low | 41.8 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 84% | 0.844 | 86% | 0.856 | S | S | * | * | trans | -125.5 | 168.4 | 135.8 | 32.6 | -20.4 | 0 | 0 | 0 | 113.5 | ||||
| 321 | Q | 45 | Very low | 42 | Very low | 197 Ų | 197 | 145.7 Ų | 145.7 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | trans | -86.5 | 165.5 | -166.9 | -61.8 | 156.8 | -79.2 | 0 | 0 | 115.1 | ||||
| 322 | G | 34.5 | Very low | 42.4 | Very low | 67 Ų | 67 | 141.3 Ų | 141.3 | 69% | 0.691 | 86% | 0.856 | S | S | * | * | trans | 100.8 | 139.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 323 | W | 38.6 | Very low | 42.9 | Very low | 262 Ų | 262 | 143.1 Ų | 143.1 | 99% | 0.992 | 86% | 0.861 | S | S | * | * | cis | -133.7 | 159.2 | 21.4 | -78.1 | 69 | 0 | 0 | 0 | 112.7 | ||||
| 324 | G | 48.7 | Very low | 43 | Very low | 72 Ų | 72 | 141.3 Ų | 141.3 | 74% | 0.742 | 86% | 0.859 | S | S | * | * | trans | -93.2 | 166.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 325 | T | 51.3 | Low | 43.5 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 88% | 0.877 | 86% | 0.859 | S | S | * | * | trans | -74.5 | 143.4 | 169.8 | 10.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 326 | E | 55.2 | Low | 44.2 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 90% | 0.902 | 86% | 0.86 | S | S | * | * | trans | -133.7 | 144.5 | 158.4 | 59.4 | -164.2 | 130.6 | 0 | 0 | 111.6 | ||||
| 327 | I | 45.8 | Very low | 44.8 | Very low | 164 Ų | 164 | 150.2 Ų | 150.2 | 84% | 0.841 | 87% | 0.865 | S | S | * | * | trans | -117 | 124.5 | -168.7 | -66.6 | 159.9 | 0 | 0 | 0 | 107.1 | ||||
| 328 | G | 50.5 | Low | 45.3 | Very low | 83 Ų | 83 | 152.8 Ų | 152.8 | 86% | 0.856 | 87% | 0.87 | S | S | * | * | trans | -115.1 | 112.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 329 | A | 42.2 | Very low | 45.9 | Very low | 83 Ų | 83 | 148.3 Ų | 148.3 | 69% | 0.686 | 87% | 0.867 | S | S | * | * | trans | -116.2 | 123.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 330 | F | 44.2 | Very low | 46.1 | Very low | 292 Ų | 292 | 153.3 Ų | 153.3 | 100% | 1.281 | 88% | 0.876 | S | S | * | * | trans | -154.3 | 0 | 157.6 | -94.3 | -71.3 | 0 | 0 | 0 | 108.1 |
Retrieved 330 of 330 residues in 128.1 ms
(Link to these results)