| 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 | 39.5 | Very low | 39.4 | Very low | 235 Ų | 235 | 149.3 Ų | 149.3 | 100% | 1.158 | 82% | 0.823 | S | S | * | * | 0 | 115.7 | 0 | -93.6 | 158.5 | 168.6 | 0 | 0 | 105.7 | |||||
| 2 | T | 35.4 | Very low | 39.3 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | cis | -165 | 121.3 | 35.4 | 16.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 3 | L | 35.3 | Very low | 39.3 | Very low | 162 Ų | 162 | 154.1 Ų | 154.1 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | 79.6 | 116.3 | 105.1 | -66.6 | 179 | 0 | 0 | 0 | 115 | |||||
| 4 | L | 42.8 | Very low | 39.9 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -58.6 | 163.1 | 158.1 | -66 | 167.6 | 0 | 0 | 0 | 110.5 | ||||
| 5 | P | 46.5 | Very low | 40.5 | Very low | 127 Ų | 127 | 146 Ų | 146 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | -135.3 | 151.1 | 107 | 30.3 | -15.3 | 0 | 0 | 0 | 112.6 | |||||
| 6 | G | 41.5 | Very low | 40.5 | Very low | 71 Ų | 71 | 147.4 Ų | 147.4 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -90.7 | 165.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 7 | D | 37.3 | Very low | 40.5 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -165.6 | 113.6 | 146.9 | -114 | -20.9 | 0 | 0 | 0 | 104.7 | ||||
| 8 | N | 35.1 | Very low | 40.3 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | 80.7 | 138 | 77.9 | -151.2 | 23.1 | 0 | 0 | 0 | 113.7 | |||||
| 9 | S | 40.5 | Very low | 40.5 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | trans | 64.3 | 105.5 | 165.4 | 65.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 10 | D | 38.4 | Very low | 40.4 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | 163 | 87.5 | 104 | -86.5 | -20.2 | 0 | 0 | 0 | 110.2 | |||||
| 11 | Y | 41.2 | Very low | 40.5 | Very low | 232 Ų | 232 | 142.6 Ų | 142.6 | 91% | 0.91 | 81% | 0.81 | S | S | * | * | trans | -92.4 | 97 | 163.2 | -67 | -74.4 | 0 | 0 | 0 | 107.8 | Y13 | Y11-Y13 PolarHBondContact O-N 3.04Å; Y11-Y13 VanDerWaalsContact O-N 3.07Å | ||
| 12 | D | 38.7 | Very low | 40.4 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -61.9 | 103.3 | 172.4 | -116.2 | -34.1 | 0 | 0 | 0 | 109.8 | S14 | D12-S14 PolarHBondContact O-N 2.75Å; D12-S14 PolarHBondContact OD1-OG 2.79Å | ||
| 13 | Y | 38.4 | Very low | 40.9 | Very low | 214 Ų | 214 | 133.8 Ų | 133.8 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -89.2 | 40.2 | 176.8 | -137.5 | -87.2 | 0 | 0 | 0 | 111.8 | Y11 | Y11-Y13 PolarHBondContact O-N 3.04Å; Y11-Y13 VanDerWaalsContact O-N 3.07Å | ||
| 14 | S | 48.5 | Very low | 40.8 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -115.1 | 48.2 | -166.6 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | D12 | D12-S14 PolarHBondContact O-N 2.75Å; D12-S14 PolarHBondContact OD1-OG 2.79Å | ||
| 15 | A | 48.7 | Very low | 40.4 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -161.6 | 35.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 16 | L | 40.4 | Very low | 40.2 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | -130 | 63.6 | 167 | -69.9 | 173.5 | 0 | 0 | 0 | 111.4 | ||||
| 17 | S | 40.6 | Very low | 39.9 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -134.1 | 106.5 | 154.2 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 18 | C | 36.1 | Very low | 39.9 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | -171.5 | 102.2 | 146.3 | -91.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 19 | T | 44.4 | Very low | 40.1 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | 50.2 | 113.8 | 129.7 | 67.3 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 20 | S | 38.1 | Very low | 39.9 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -159.4 | 77.5 | 144.4 | -62.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 21 | D | 42.9 | Very low | 40.5 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | 28.6 | 90.3 | 100.5 | -146.7 | 2.8 | 0 | 0 | 0 | 115.1 | |||||
| 22 | A | 37.8 | Very low | 40.9 | Very low | 73 Ų | 73 | 139.3 Ų | 139.3 | 60% | 0.603 | 78% | 0.775 | S | S | * | * | trans | -154.4 | 88 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | F24 | A22-F24 PolarHBondContact O-N 2.71Š| ||
| 23 | S | 44.8 | Very low | 41 | Very low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | 41.6 | 76.2 | 143.1 | 64.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 24 | F | 34 | Very low | 41.4 | Very low | 201 Ų | 201 | 132.8 Ų | 132.8 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | trans | -119.6 | 96.1 | 141.9 | -68.7 | -81.8 | 0 | 0 | 0 | 106.3 | A22 P26 | A22-F24 PolarHBondContact O-N 2.71Å; F24-P26 WeakPolarHBondContact O-CD 3.27Å | ||
| 25 | H | 34 | Very low | 41.3 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | trans | -73 | 110.8 | 159.8 | -79.3 | -76 | 0 | 0 | 0 | 106.3 | A27 | H25-A27 PolarHBondContact O-N 3.35Š| ||
| 26 | P | 42.1 | Very low | 40.9 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 59% | 0.591 | 76% | 0.755 | S | S | * | * | trans | -63.2 | 125 | 150.3 | 3.9 | 13.6 | 0 | 0 | 0 | 104 | F24 F28 | F24-P26 WeakPolarHBondContact O-CD 3.27Å; P26-F28 VanDerWaalsContact C-N 3.27Å; P26-F28 PolarHBondContact O-N 3.16Å | ||
| 27 | A | 36.6 | Very low | 41.2 | Very low | 90 Ų | 90 | 133.8 Ų | 133.8 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | -52.6 | 103.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | H25 L29 | H25-A27 PolarHBondContact O-N 3.35Å; A27-L29 PolarHBondContact O-N 3.45Å | ||
| 28 | F | 36.4 | Very low | 41.4 | Very low | 191 Ų | 191 | 131.4 Ų | 131.4 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | trans | -65.2 | 87 | 166.9 | -93.1 | -93.9 | 0 | 0 | 0 | 104.7 | P26 | P26-F28 VanDerWaalsContact C-N 3.27Å; P26-F28 PolarHBondContact O-N 3.16Å | ||
| 29 | L | 40.4 | Very low | 42.1 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | -48 | 126.9 | 157.8 | -72.1 | 172.5 | 0 | 0 | 0 | 105.2 | A27 Q31 | A27-L29 PolarHBondContact O-N 3.45Å; L29-Q31 VanDerWaalsContact C-N 3.35Å; L29-Q31 PolarHBondContact O-N 2.58Å | ||
| 30 | P | 36.6 | Very low | 42.2 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | trans | -56 | 106 | 179.2 | -20.2 | 29.5 | 0 | 0 | 0 | 107 | R32 | P30-R32 VanDerWaalsContact C-N 3.28Å; P30-R32 PolarHBondContact O-N 2.86Å | ||
| 31 | Q | 50.1 | Low | 42.9 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | trans | -61.7 | 104.1 | 170.9 | -174.2 | 158.7 | 15.1 | 0 | 0 | 103.8 | L29 Q33 | L29-Q31 VanDerWaalsContact C-N 3.35Å; L29-Q31 PolarHBondContact O-N 2.58Å; Q31-Q33 VanDerWaalsContact C-N 3.29Å; Q31-Q33 PolarHBondContact O-N 2.63Å | ||
| 32 | R | 48.8 | Very low | 43.7 | Very low | 237 Ų | 237 | 134.3 Ų | 134.3 | 89% | 0.894 | 69% | 0.687 | S | S | * | * | trans | -48.8 | 104.1 | 175.5 | -108.6 | -178.2 | 171.4 | -176.4 | -1.8 | 105.1 | P30 A34 | P30-R32 VanDerWaalsContact C-N 3.28Å; P30-R32 PolarHBondContact O-N 2.86Å; R32-A34 VanDerWaalsContact C-N 3.32Å; R32-A34 PolarHBondContact O-N 3.04Å | ||
| 33 | Q | 41.3 | Very low | 45 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 85% | 0.85 | 66% | 0.664 | S | S | * | * | trans | -63.5 | 105.4 | -179.9 | -79.6 | -177.9 | -8.2 | 0 | 0 | 104.6 | Q31 I35 | Q31-Q33 VanDerWaalsContact C-N 3.29Å; Q31-Q33 PolarHBondContact O-N 2.63Å; Q33-I35 PolarHBondContact O-N 2.99Å | ||
| 34 | A | 47.8 | Very low | 46.5 | Very low | 42 Ų | 42 | 132.8 Ų | 132.8 | 35% | 0.347 | 66% | 0.659 | S | S | . | * | trans | -54.3 | 113.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | R32 K36 K135 | R32-A34 VanDerWaalsContact C-N 3.32Å; R32-A34 PolarHBondContact O-N 3.04Å; A34-K36 PolarHBondContact O-N 2.59Å; A34-K135 HydrophobicContact CB-CG 4.5Å | ||
| 35 | I | 46.4 | Very low | 48.8 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 65% | 0.646 | 64% | 0.644 | S | S | * | * | trans | -63.3 | 94.5 | 176.3 | -59.8 | 174.8 | 0 | 0 | 0 | 105.6 | Q33 G37 | Q33-I35 PolarHBondContact O-N 2.99Å; I35-G37 PolarHBondContact O-N 2.86Å; I35-G37 VanDerWaalsContact O-N 3.08Å | ||
| 36 | K | 38.5 | Very low | 51 | Low | 183 Ų | 183 | 123.1 Ų | 123.1 | 80% | 0.796 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 112.6 | 177.6 | -76.2 | -178.4 | 177.4 | 177.4 | 0 | 107 | A34 | A34-K36 PolarHBondContact O-N 2.59Š|
| 37 | G | 47.6 | Very low | 52.8 | Low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.6 | -21.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | I35 | I35-G37 PolarHBondContact O-N 2.86Å; I35-G37 VanDerWaalsContact O-N 3.08Å |
| 38 | A | 45.5 | Very low | 54.3 | Low | 63 Ų | 63 | 128.5 Ų | 128.5 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.6 | -30.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 39 | F | 49.8 | Very low | 55.5 | Low | 70 Ų | 70 | 127.6 Ų | 127.6 | 31% | 0.307 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -97.3 | -7.6 | -169.7 | -59.2 | -89.4 | 0 | 0 | 0 | 114.3 | R41 E83 R132 | F39-R41 PolarHBondContact O-N 3.23Å; F39-E83 WeakPolarHBondContact CD1-OE2 3.27Å; F39-E83 WeakPolarHBondContact CE1-OE1 3.43Å; F39-E83 WeakPolarHBondContact CE1-OE2 3.48Å; F39-R132 CarbonylContact C-O 3.34Å; F39-R132 WeakPolarHBondContact CB-O 3.5Å |
| 40 | Y | 46.2 | Very low | 56.7 | Low | 193 Ų | 193 | 124.9 Ų | 124.9 | 76% | 0.757 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 11.8 | -167.5 | -138.3 | -96.8 | 0 | 0 | 0 | 116 | ||
| 41 | R | 53.4 | Low | 58 | Low | 239 Ų | 239 | 121.7 Ų | 121.7 | 90% | 0.902 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | 11 | -172.8 | -113.5 | -173.3 | -155.9 | 179.7 | 7.3 | 116.4 | F39 | F39-R41 PolarHBondContact O-N 3.23Š|
| 42 | R | 60.3 | Low | 58.4 | Low | 81 Ų | 81 | 117.4 Ų | 117.4 | 31% | 0.306 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -113.6 | 19.9 | -169.1 | -57.5 | -170 | -169.1 | 151.2 | 1.7 | 115.2 | P77 T80 E83 | R42-P77 VanDerWaalsContact C-CD 3.47Å; R42-P77 HydrophobicContact CB-CG 4.06Å; R42-P77 WeakPolarHBondContact O-CD 3.44Å; R42-T80 VanDerWaalsContact CB-OG1 3.26Å; R42-T80 WeakPolarHBondContact CB-OG1 3.46Å; R42-T80 PolarHBondContact O-OG1 2.68Å; R42-E83 IonicContact CZ-OE1 3.53Å; R42-E83 IonicContact NH1-OE1 3.36Å; R42-E83 PolarHBondContact NH1-OE1 3.08Å |
| 43 | A | 64.6 | Low | 58.7 | Low | 16 Ų | 16 | 117.2 Ų | 117.2 | 13% | 0.132 | 56% | 0.56 | C | S | . | * | trans | -163.2 | 140.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | S75 L76 L128 R132 | A43-S75 CarbonylContact C-O 3.57Å; A43-S75 VanDerWaalsContact CA-O 3.24Å; A43-S75 WeakPolarHBondContact CA-O 3.39Å; A43-L76 HydrophobicContact CB-CB 4.33Å; A43-L76 HydrophobicContact CB-CD2 3.1Å; A43-L76 HydrophobicContact CB-CG 4.26Å; A43-L128 HydrophobicContact CB-CD1 3.94Å; A43-R132 HydrophobicContact CB-CG 3.97Å; A43-R132 PolarHBondContact O-NE 3.37Å; A43-R132 VanDerWaalsContact O-NE 3.12Å; A43-R132 PolarHBondContact O-NH2 2.91Å | ||
| 44 | Q | 75.4 | Confident | 59.2 | Low | 121 Ų | 121 | 117.6 Ų | 117.6 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -135.2 | 133.7 | -177 | -171.4 | 171.3 | 2 | 0 | 0 | 108.8 | L46 Y74 S75 | Q44-L46 PolarHBondContact O-N 2.94Å; Q44-Y74 CarbonylContact O-C 3.57Å; Q44-Y74 WeakPolarHBondContact O-CA 3.34Å; Q44-S75 PolarHBondContact N-O 3.23Å; Q44-S75 PolarHBondContact O-N 3.37Å |
| 45 | R | 83.3 | Confident | 59.6 | Low | 151 Ų | 151 | 118.3 Ų | 118.3 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.3 | 124.1 | 167.6 | 179.8 | 178.9 | 171.3 | -172.4 | 0.8 | 107.2 | R47 I72 Y74 | R45-R47 PolarHBondContact O-N 3.22Å; R45-I72 HydrophobicContact CG-CG2 3.93Å; R45-Y74 HydrophobicContact CB-CD1 3.93Å; R45-Y74 HydrophobicContact CB-CE1 4.02Å; R45-Y74 HydrophobicContact CG-CD1 4.28Å; R45-Y74 HydrophobicContact CG-CE1 4.12Å |
| 46 | L | 80.8 | Confident | 60.1 | Low | 27 Ų | 27 | 113.7 Ų | 113.7 | 14% | 0.141 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -72.9 | 128 | 175.1 | -68.9 | 173.6 | 0 | 0 | 0 | 108 | Q44 I66 K73 | Q44-L46 PolarHBondContact O-N 2.94Å; L46-I66 HydrophobicContact CD1-CD1 4.32Å; L46-I66 HydrophobicContact CD1-CG1 4.31Å; L46-I66 HydrophobicContact CD1-CG2 4.23Å; L46-K73 HydrophobicContact CB-CB 4.16Å; L46-K73 HydrophobicContact CD1-CB 4.2Å; L46-K73 PolarHBondContact N-O 3.46Å |
| 47 | R | 78.3 | Confident | 61.4 | Low | 173 Ų | 173 | 111.2 Ų | 111.2 | 65% | 0.653 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 151.5 | 168.1 | -63.6 | 179.5 | 171.8 | 170.2 | -2 | 107.5 | R45 Q49 D50 E51 | R45-R47 PolarHBondContact O-N 3.22Å; R47-Q49 PolarHBondContact O-N 3.16Å; R47-D50 WeakPolarHBondContact CB-OD2 3.33Å; R47-D50 WeakPolarHBondContact O-CA 3.28Å; R47-D50 PolarHBondContact O-N 3.1Å; R47-E51 PolarHBondContact O-N 3.33Å |
| 48 | P | 68.9 | Low | 62.2 | Low | 122 Ų | 122 | 111.9 Ų | 111.9 | 79% | 0.792 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -24.8 | 176.5 | -27.8 | 35.1 | 0 | 0 | 0 | 114.5 | ||
| 49 | Q | 61.1 | Low | 63.4 | Low | 172 Ų | 172 | 113.5 Ų | 113.5 | 80% | 0.804 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -23 | 176.9 | -62.5 | 179.4 | 1.5 | 0 | 0 | 113.5 | R47 | R47-Q49 PolarHBondContact O-N 3.16Š|
| 50 | D | 66.8 | Low | 64.5 | Low | 87 Ų | 87 | 113.5 Ų | 113.5 | 47% | 0.465 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 1.2 | 179.3 | -56.6 | -41.7 | 0 | 0 | 0 | 111.7 | R47 | R47-D50 WeakPolarHBondContact CB-OD2 3.33Å; R47-D50 WeakPolarHBondContact O-CA 3.28Å; R47-D50 PolarHBondContact O-N 3.1Å |
| 51 | E | 63 | Low | 65.9 | Low | 54 Ų | 54 | 108.1 Ų | 108.1 | 25% | 0.252 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -60.4 | 126.6 | 173.2 | -71.3 | -84.2 | 108.3 | 0 | 0 | 109 | R47 R53 K73 | R47-E51 PolarHBondContact O-N 3.33Å; E51-R53 PolarHBondContact O-N 3.47Å; E51-K73 VanDerWaalsContact CD-CD 3.47Å; E51-K73 WeakPolarHBondContact OE1-CD 3.49Å; E51-K73 VanDerWaalsContact OE2-CD 3.26Å; E51-K73 WeakPolarHBondContact OE2-CD 3.28Å; E51-K73 WeakPolarHBondContact OE2-CE 3.37Å; E51-K73 IonicContact OE2-NZ 2.91Å; E51-K73 PolarHBondContact OE2-NZ 3.18Å |
| 52 | P | 59.2 | Low | 67.1 | Low | 59 Ų | 59 | 105.4 Ų | 105.4 | 38% | 0.383 | 50% | 0.503 | S | S | . | . | trans | -60.5 | 111.8 | 178 | 19.8 | -26.8 | 0 | 0 | 0 | 109.6 | Q54 | P52-Q54 PolarHBondContact O-N 3.45Å; P52-Q54 VanDerWaalsContact O-N 3.08Å | ||
| 53 | R | 54 | Low | 68.3 | Low | 234 Ų | 234 | 109.6 Ų | 109.6 | 88% | 0.883 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -68.2 | -6.6 | -170.1 | -90.9 | -176.3 | 162.3 | 147.8 | -2.8 | 115.8 | E51 | E51-R53 PolarHBondContact O-N 3.47Š|
| 54 | Q | 52.4 | Low | 69.5 | Low | 190 Ų | 190 | 114.1 Ų | 114.1 | 89% | 0.888 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -179.7 | 119.1 | 169.6 | -104.8 | 151.3 | 22.6 | 0 | 0 | 107.7 | P52 | P52-Q54 PolarHBondContact O-N 3.45Å; P52-Q54 VanDerWaalsContact O-N 3.08Å |
| 55 | G | 55.2 | Low | 70.2 | Confident | 57 Ų | 57 | 108.4 Ų | 108.4 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | trans | 64.1 | 107 | 169 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q57 | G55-Q57 PolarHBondContact O-N 2.93Š| ||
| 56 | C | 57.5 | Low | 70.7 | Confident | 29 Ų | 29 | 101.8 Ų | 101.8 | 20% | 0.196 | 48% | 0.482 | C | S | . | . | trans | -63.4 | 124.5 | 165.5 | -164.1 | 0 | 0 | 0 | 0 | 108.3 | D60 R61 | C56-D60 WeakPolarHBondContact SG-CB 3.2Å; C56-R61 HydrophobicContact CB-CG 3.83Å | ||
| 57 | Q | 66.1 | Low | 71.4 | Confident | 130 Ų | 130 | 100.5 Ų | 100.5 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | trans | -51.9 | 139.7 | 176.6 | -73.8 | -79.6 | -4.9 | 0 | 0 | 109.1 | G55 E59 D60 R61 | G55-Q57 PolarHBondContact O-N 2.93Å; Q57-E59 PolarHBondContact O-N 3.21Å; Q57-D60 HydrophobicContact CB-CB 4.43Å; Q57-D60 WeakPolarHBondContact O-CA 3.38Å; Q57-D60 WeakPolarHBondContact O-CB 3.43Å; Q57-D60 PolarHBondContact O-N 3.26Å; Q57-R61 PolarHBondContact O-N 2.97Å | ||
| 58 | P | 65.4 | Low | 72.3 | Confident | 81 Ų | 81 | 92.9 Ų | 92.9 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -53.7 | -33.3 | -177.2 | -26.6 | 33.5 | 0 | 0 | 0 | 113.7 | R61 R62 | P58-R61 PolarHBondContact O-N 3.2Å; P58-R62 PolarHBondContact O-N 3.44Å |
| 59 | E | 69.6 | Low | 73.7 | Confident | 97 Ų | 97 | 87 Ų | 87 | 45% | 0.453 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.6 | -32.4 | 176.7 | -64.2 | -57.3 | 142.9 | 0 | 0 | 113.2 | Q57 R62 R63 | Q57-E59 PolarHBondContact O-N 3.21Å; E59-R62 PolarHBondContact O-N 3.07Å; E59-R62 IonicContact OE1-NH1 3.69Å; E59-R62 PolarHBondContact OE1-NH1 3.41Å; E59-R63 WeakPolarHBondContact O-CG 3.35Å; E59-R63 PolarHBondContact O-N 3.26Å |
| 60 | D | 73.6 | Confident | 75.3 | Confident | 71 Ų | 71 | 80.6 Ų | 80.6 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.4 | -36.2 | 175.5 | -72.1 | -32.6 | 0 | 0 | 0 | 110.9 | C56 Q57 R62 R63 R64 | C56-D60 WeakPolarHBondContact SG-CB 3.2Å; Q57-D60 HydrophobicContact CB-CB 4.43Å; Q57-D60 WeakPolarHBondContact O-CA 3.38Å; Q57-D60 WeakPolarHBondContact O-CB 3.43Å; Q57-D60 PolarHBondContact O-N 3.26Å; D60-R62 VanDerWaalsContact C-N 3.28Å; D60-R62 PolarHBondContact O-N 2.79Å; D60-R63 PolarHBondContact O-N 2.92Å; D60-R63 VanDerWaalsContact O-N 3.1Å; D60-R64 PolarHBondContact O-N 3.1Å |
| 61 | R | 75.3 | Confident | 76.6 | Confident | 79 Ų | 79 | 79 Ų | 79 | 30% | 0.298 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63 | -32.8 | 174.7 | -63.6 | 175.3 | 56.3 | 170.7 | 4.3 | 113.1 | C56 Q57 P58 R63 R64 W78 V110 N113 | C56-R61 HydrophobicContact CB-CG 3.83Å; Q57-R61 PolarHBondContact O-N 2.97Å; P58-R61 PolarHBondContact O-N 3.2Å; R61-R63 VanDerWaalsContact C-N 3.31Å; R61-R64 VanDerWaalsContact O-O 3.09Å; R61-W78 PolarHBondContact O-NE1 3.38Å; R61-V110 PolarHBondContact NH1-O 3.11Å; R61-V110 PolarHBondContact NH2-O 2.89Å; R61-N113 HydrophobicContact CB-CB 4.33Å; R61-N113 HydrophobicContact CG-CB 4.03Å; R61-N113 PolarHBondContact O-ND2 2.94Å |
| 62 | R | 79.3 | Confident | 78.1 | Confident | 182 Ų | 182 | 78.3 Ų | 78.3 | 69% | 0.687 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -73 | -24.1 | 175.7 | -73.5 | 176.7 | 171.6 | 175.1 | -4.8 | 113 | P58 E59 D60 W78 | P58-R62 PolarHBondContact O-N 3.44Å; E59-R62 PolarHBondContact O-N 3.07Å; E59-R62 IonicContact OE1-NH1 3.69Å; E59-R62 PolarHBondContact OE1-NH1 3.41Å; D60-R62 VanDerWaalsContact C-N 3.28Å; D60-R62 PolarHBondContact O-N 2.79Å; R62-W78 VanDerWaalsContact O-CD1 3.25Å |
| 63 | R | 85.1 | Confident | 79.7 | Confident | 169 Ų | 169 | 77.7 Ų | 77.7 | 64% | 0.638 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -100.6 | -31 | -176.7 | -67.1 | 175.7 | -176.8 | -175.3 | 1.6 | 112.5 | E59 D60 R61 P77 W78 | E59-R63 WeakPolarHBondContact O-CG 3.35Å; E59-R63 PolarHBondContact O-N 3.26Å; D60-R63 PolarHBondContact O-N 2.92Å; D60-R63 VanDerWaalsContact O-N 3.1Å; R61-R63 VanDerWaalsContact C-N 3.31Å; R63-P77 VanDerWaalsContact O-CA 3.24Å; R63-P77 WeakPolarHBondContact O-CA 3.43Å; R63-W78 PolarHBondContact O-N 3.38Å |
| 64 | R | 88.8 | Confident | 81.5 | Confident | 112 Ų | 112 | 67.2 Ų | 67.2 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 155.3 | -170.9 | -64.5 | 175.6 | 176.4 | -107.7 | 1.5 | 112.4 | D60 R61 S75 L76 N113 | D60-R64 PolarHBondContact O-N 3.1Å; R61-R64 VanDerWaalsContact O-O 3.09Å; R64-S75 PolarHBondContact NH1-OG 2.96Å; R64-L76 CarbonylContact C-O 3.5Å; R64-L76 WeakPolarHBondContact CA-O 3.48Å; R64-N113 PolarHBondContact O-ND2 3.5Å |
| 65 | I | 90.8 | Very high | 83.3 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 154.6 | 173.1 | 59.3 | -173.5 | 0 | 0 | 0 | 110.1 | I67 S75 L76 W78 L81 F115 | I65-I67 HydrophobicContact CD1-CD1 3.83Å; I65-I67 HydrophobicContact CD1-CG1 4.12Å; I65-I67 HydrophobicContact CG1-CD1 4.24Å; I65-I67 HydrophobicContact CG1-CG1 4.27Å; I65-S75 WeakPolarHBondContact O-CA 3.44Å; I65-L76 HydrophobicContact CD1-CB 4.36Å; I65-L76 HydrophobicContact CD1-CD1 4.26Å; I65-L76 HydrophobicContact CG1-CB 3.9Å; I65-L76 HydrophobicContact CG1-CD1 4.41Å; I65-L76 HydrophobicContact CG1-CG 4.26Å; I65-L76 WeakPolarHBondContact CG1-O 3.33Å; I65-L76 PolarHBondContact N-O 3.46Å; I65-L76 PolarHBondContact O-N 3.03Å; I65-W78 HydrophobicContact CD1-CE3 4.17Å; I65-W78 HydrophobicContact CD1-CZ3 4.27Å; I65-W78 HydrophobicContact CG2-CD2 3.35Å; I65-W78 HydrophobicContact CG2-CE3 3.66Å; I65-W78 HydrophobicContact CG2-CG 4.08Å; I65-W78 HydrophobicContact CG2-CH2 3.45Å; I65-W78 VanDerWaalsContact CG2-CH2 3.45Å; I65-W78 HydrophobicContact CG2-CZ2 3.07Å; I65-W78 HydrophobicContact CG2-CZ3 3.72Å; I65-L81 HydrophobicContact CD1-CD1 3.3Å; I65-L81 HydrophobicContact CD1-CG 4.04Å; I65-F115 HydrophobicContact CB-CE2 4.43Å; I65-F115 HydrophobicContact CG2-CE2 4.24Å |
| 66 | I | 93.9 | Very high | 84.9 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.2 | 168.4 | -56.9 | 177.3 | 0 | 0 | 0 | 107.2 | L46 K73 Y74 C112 N113 E114 F115 | L46-I66 HydrophobicContact CD1-CD1 4.32Å; L46-I66 HydrophobicContact CD1-CG1 4.31Å; L46-I66 HydrophobicContact CD1-CG2 4.23Å; I66-K73 HydrophobicContact CG2-CB 4.15Å; I66-K73 HydrophobicContact CG2-CG 4.32Å; I66-Y74 WeakPolarHBondContact CA-O 3.4Å; I66-C112 HydrophobicContact CD1-CB 4.45Å; I66-N113 PolarHBondContact N-O 3.49Å; I66-E114 HydrophobicContact CB-CB 3.96Å; I66-E114 HydrophobicContact CB-CG 4.22Å; I66-E114 HydrophobicContact CG2-CB 4.07Å; I66-E114 HydrophobicContact CG2-CG 3.81Å; I66-E114 WeakPolarHBondContact O-CA 3.49Å; I66-F115 PolarHBondContact O-N 2.75Å |
| 67 | I | 95.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.9 | 170.6 | -57.4 | -55.9 | 0 | 0 | 0 | 106.8 | I65 V69 K73 Y74 L76 L89 L92 F115 F117 F124 | I65-I67 HydrophobicContact CD1-CD1 3.83Å; I65-I67 HydrophobicContact CD1-CG1 4.12Å; I65-I67 HydrophobicContact CG1-CD1 4.24Å; I65-I67 HydrophobicContact CG1-CG1 4.27Å; I67-V69 HydrophobicContact CG2-CG2 3.76Å; I67-K73 CarbonylContact O-C 3.54Å; I67-K73 WeakPolarHBondContact O-CA 3.45Å; I67-Y74 PolarHBondContact N-O 2.87Å; I67-Y74 WeakPolarHBondContact O-CD2 3.47Å; I67-Y74 PolarHBondContact O-N 3.09Å; I67-L76 HydrophobicContact CB-CD1 4.39Å; I67-L76 HydrophobicContact CG1-CD1 3.51Å; I67-L76 HydrophobicContact CG1-CG 4.1Å; I67-L89 HydrophobicContact CD1-CD2 3.87Å; I67-L89 HydrophobicContact CG1-CD2 4.24Å; I67-L89 HydrophobicContact CG2-CD2 4.17Å; I67-L92 HydrophobicContact CD1-CD1 3.85Å; I67-F115 HydrophobicContact CD1-CB 4.12Å; I67-F115 HydrophobicContact CD1-CD2 4.23Å; I67-F115 HydrophobicContact CD1-CG 4.49Å; I67-F117 HydrophobicContact CD1-CE2 4.16Å; I67-F117 HydrophobicContact CG2-CD2 3.87Å; I67-F117 HydrophobicContact CG2-CE2 3.83Å; I67-F124 HydrophobicContact CG2-CE1 4.19Å; I67-F124 HydrophobicContact CG2-CE2 4.45Å; I67-F124 HydrophobicContact CG2-CZ 3.75Å |
| 68 | N | 96.7 | Very high | 87.5 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.064 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.7 | 175.9 | -175 | -10.1 | 0 | 0 | 0 | 109.1 | G71 I72 K73 E114 F115 F116 F117 | N68-G71 WeakPolarHBondContact OD1-CA 3.4Å; N68-G71 PolarHBondContact OD1-N 2.91Å; N68-G71 VanDerWaalsContact OD1-N 3.08Å; N68-I72 WeakPolarHBondContact CA-O 3.48Å; N68-I72 PolarHBondContact OD1-N 2.9Å; N68-K73 HydrophobicContact CB-CG 3.94Å; N68-E114 HydrophobicContact CB-CG 4.02Å; N68-E114 VanDerWaalsContact CB-OE1 3.28Å; N68-E114 WeakPolarHBondContact CB-OE1 3.45Å; N68-E114 PolarHBondContact ND2-OE1 2.94Å; N68-F115 PolarHBondContact N-O 2.61Å; N68-F116 HydrophobicContact CB-CD2 4Å; N68-F116 CarbonylContact O-C 3.53Å; N68-F116 WeakPolarHBondContact O-CA 3.37Å; N68-F117 PolarHBondContact O-N 3.46Å |
| 69 | V | 97.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 116.5 | 179.4 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | I67 G71 I72 Y74 F117 R119 F124 W154 | I67-V69 HydrophobicContact CG2-CG2 3.76Å; V69-G71 PolarHBondContact O-N 3.07Å; V69-G71 VanDerWaalsContact O-N 3.12Å; V69-I72 PolarHBondContact N-O 3.38Å; V69-I72 PolarHBondContact O-N 2.88Å; V69-Y74 HydrophobicContact CB-CE2 4.45Å; V69-F117 WeakPolarHBondContact CA-O 3.41Å; V69-F117 HydrophobicContact CG1-CB 4.47Å; V69-F117 HydrophobicContact CG2-CB 4.25Å; V69-F117 HydrophobicContact CG2-CD2 4.41Å; V69-R119 HydrophobicContact CG1-CB 3.9Å; V69-R119 WeakPolarHBondContact CG1-O 3.34Å; V69-F124 HydrophobicContact CB-CB 4.24Å; V69-F124 HydrophobicContact CB-CD1 4.05Å; V69-F124 HydrophobicContact CB-CG 4.08Å; V69-F124 HydrophobicContact CG1-CB 3.88Å; V69-F124 HydrophobicContact CG1-CG 4.14Å; V69-F124 HydrophobicContact CG2-CB 4.28Å; V69-F124 HydrophobicContact CG2-CD1 3.53Å; V69-F124 HydrophobicContact CG2-CD2 3.89Å; V69-F124 HydrophobicContact CG2-CE1 3.72Å; V69-F124 HydrophobicContact CG2-CE2 4.06Å; V69-F124 HydrophobicContact CG2-CG 3.61Å; V69-F124 HydrophobicContact CG2-CZ 3.97Å; V69-W154 HydrophobicContact CG1-CZ2 4.09Å; V69-W154 HydrophobicContact CG2-CH2 3.9Å; V69-W154 HydrophobicContact CG2-CZ2 4.18Å |
| 70 | G | 95.8 | Very high | 89.4 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 38% | 0.381 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 32.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F117 | G70-F117 PolarHBondContact N-O 3.43Š|
| 71 | G | 93.3 | Very high | 90.1 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 54% | 0.536 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -4.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N68 V69 | N68-G71 WeakPolarHBondContact OD1-CA 3.4Å; N68-G71 PolarHBondContact OD1-N 2.91Å; N68-G71 VanDerWaalsContact OD1-N 3.08Å; V69-G71 PolarHBondContact O-N 3.07Å; V69-G71 VanDerWaalsContact O-N 3.12Å |
| 72 | I | 94.4 | Very high | 90.6 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.1 | 174.1 | -52.8 | -167.3 | 0 | 0 | 0 | 110.4 | R45 N68 V69 Y74 P121 | R45-I72 HydrophobicContact CG-CG2 3.93Å; N68-I72 WeakPolarHBondContact CA-O 3.48Å; N68-I72 PolarHBondContact OD1-N 2.9Å; V69-I72 PolarHBondContact N-O 3.38Å; V69-I72 PolarHBondContact O-N 2.88Å; I72-Y74 HydrophobicContact CB-CE2 3.9Å; I72-Y74 HydrophobicContact CG2-CD2 4.42Å; I72-Y74 HydrophobicContact CG2-CE1 4.13Å; I72-Y74 HydrophobicContact CG2-CE2 3.64Å; I72-Y74 VanDerWaalsContact CG2-CZ 3.49Å; I72-Y74 WeakPolarHBondContact CG2-OH 3.36Å; I72-Y74 VanDerWaalsContact O-CD2 3.23Å; I72-Y74 WeakPolarHBondContact O-CD2 3.26Å; I72-Y74 WeakPolarHBondContact O-CE2 3.36Å; I72-P121 HydrophobicContact CB-CB 4.31Å; I72-P121 HydrophobicContact CD1-CB 3.59Å; I72-P121 HydrophobicContact CD1-CG 4.2Å; I72-P121 HydrophobicContact CG1-CB 3.84Å; I72-P121 HydrophobicContact CG1-CG 4.45Å |
| 73 | K | 93.8 | Very high | 90.8 | Very high | 46 Ų | 46 | 38.9 Ų | 38.9 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 140 | -178.1 | -64.4 | 173.2 | 178.2 | -152.7 | 0 | 113.1 | L46 E51 I66 I67 N68 E114 | L46-K73 HydrophobicContact CB-CB 4.16Å; L46-K73 HydrophobicContact CD1-CB 4.2Å; L46-K73 PolarHBondContact N-O 3.46Å; E51-K73 VanDerWaalsContact CD-CD 3.47Å; E51-K73 WeakPolarHBondContact OE1-CD 3.49Å; E51-K73 VanDerWaalsContact OE2-CD 3.26Å; E51-K73 WeakPolarHBondContact OE2-CD 3.28Å; E51-K73 WeakPolarHBondContact OE2-CE 3.37Å; E51-K73 IonicContact OE2-NZ 2.91Å; E51-K73 PolarHBondContact OE2-NZ 3.18Å; I66-K73 HydrophobicContact CG2-CB 4.15Å; I66-K73 HydrophobicContact CG2-CG 4.32Å; I67-K73 CarbonylContact O-C 3.54Å; I67-K73 WeakPolarHBondContact O-CA 3.45Å; N68-K73 HydrophobicContact CB-CG 3.94Å; K73-E114 WeakPolarHBondContact CE-OE1 3.41Å; K73-E114 VanDerWaalsContact CE-OE2 3.26Å; K73-E114 WeakPolarHBondContact CE-OE2 3.35Å; K73-E114 IonicContact NZ-OE1 2.79Å; K73-E114 IonicContact NZ-OE2 2.79Å; K73-E114 PolarHBondContact NZ-OE2 2.77Å |
| 74 | Y | 92.1 | Very high | 90.9 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 124.7 | -179.9 | -55.5 | -90.4 | 0 | 0 | 0 | 110.2 | Q44 R45 I66 I67 V69 I72 F124 L128 | Q44-Y74 CarbonylContact O-C 3.57Å; Q44-Y74 WeakPolarHBondContact O-CA 3.34Å; R45-Y74 HydrophobicContact CB-CD1 3.93Å; R45-Y74 HydrophobicContact CB-CE1 4.02Å; R45-Y74 HydrophobicContact CG-CD1 4.28Å; R45-Y74 HydrophobicContact CG-CE1 4.12Å; I66-Y74 WeakPolarHBondContact CA-O 3.4Å; I67-Y74 PolarHBondContact N-O 2.87Å; I67-Y74 WeakPolarHBondContact O-CD2 3.47Å; I67-Y74 PolarHBondContact O-N 3.09Å; V69-Y74 HydrophobicContact CB-CE2 4.45Å; I72-Y74 HydrophobicContact CB-CE2 3.9Å; I72-Y74 HydrophobicContact CG2-CD2 4.42Å; I72-Y74 HydrophobicContact CG2-CE1 4.13Å; I72-Y74 HydrophobicContact CG2-CE2 3.64Å; I72-Y74 VanDerWaalsContact CG2-CZ 3.49Å; I72-Y74 WeakPolarHBondContact CG2-OH 3.36Å; I72-Y74 VanDerWaalsContact O-CD2 3.23Å; I72-Y74 WeakPolarHBondContact O-CD2 3.26Å; I72-Y74 WeakPolarHBondContact O-CE2 3.36Å; Y74-F124 AromaticContact CD2-CD1 3.84Å; Y74-F124 HydrophobicContact CD2-CD1 3.84Å; Y74-F124 AromaticContact CD2-CE1 3.49Å; Y74-F124 HydrophobicContact CD2-CE1 3.49Å; Y74-F124 VanDerWaalsContact CD2-CE1 3.49Å; Y74-F124 AromaticContact CE2-CD1 3.43Å; Y74-F124 HydrophobicContact CE2-CD1 3.43Å; Y74-F124 VanDerWaalsContact CE2-CD1 3.43Å; Y74-F124 AromaticContact CE2-CE1 3.62Å; Y74-F124 HydrophobicContact CE2-CE1 3.62Å; Y74-F124 AromaticContact CG-CE1 3.98Å; Y74-F124 HydrophobicContact CG-CE1 3.98Å; Y74-F124 AromaticContact CZ-CD1 3.79Å; Y74-L128 HydrophobicContact CD1-CD2 3.16Å; Y74-L128 HydrophobicContact CE1-CD2 3.51Å; Y74-L128 HydrophobicContact CG-CD2 3.78Å |
| 75 | S | 90.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.2 | 172.4 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | A43 Q44 R64 I65 | A43-S75 CarbonylContact C-O 3.57Å; A43-S75 VanDerWaalsContact CA-O 3.24Å; A43-S75 WeakPolarHBondContact CA-O 3.39Å; Q44-S75 PolarHBondContact N-O 3.23Å; Q44-S75 PolarHBondContact O-N 3.37Å; R64-S75 PolarHBondContact NH1-OG 2.96Å; I65-S75 WeakPolarHBondContact O-CA 3.44Å |
| 76 | L | 88.1 | Confident | 90.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 140 | 178.7 | -32.4 | 177.8 | 0 | 0 | 0 | 109.1 | A43 R64 I65 I67 L89 L128 | A43-L76 HydrophobicContact CB-CB 4.33Å; A43-L76 HydrophobicContact CB-CD2 3.1Å; A43-L76 HydrophobicContact CB-CG 4.26Å; R64-L76 CarbonylContact C-O 3.5Å; R64-L76 WeakPolarHBondContact CA-O 3.48Å; I65-L76 HydrophobicContact CD1-CB 4.36Å; I65-L76 HydrophobicContact CD1-CD1 4.26Å; I65-L76 HydrophobicContact CG1-CB 3.9Å; I65-L76 HydrophobicContact CG1-CD1 4.41Å; I65-L76 HydrophobicContact CG1-CG 4.26Å; I65-L76 WeakPolarHBondContact CG1-O 3.33Å; I65-L76 PolarHBondContact N-O 3.46Å; I65-L76 PolarHBondContact O-N 3.03Å; I67-L76 HydrophobicContact CB-CD1 4.39Å; I67-L76 HydrophobicContact CG1-CD1 3.51Å; I67-L76 HydrophobicContact CG1-CG 4.1Å; L76-L89 HydrophobicContact CD1-CD1 4.47Å; L76-L128 HydrophobicContact CD2-CD1 3.62Å |
| 77 | P | 89.3 | Confident | 90.9 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 13% | 0.13 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 143.9 | 160.4 | -18.9 | 34.1 | 0 | 0 | 0 | 110.5 | R42 R63 T79 T80 | R42-P77 VanDerWaalsContact C-CD 3.47Å; R42-P77 HydrophobicContact CB-CG 4.06Å; R42-P77 WeakPolarHBondContact O-CD 3.44Å; R63-P77 VanDerWaalsContact O-CA 3.24Å; R63-P77 WeakPolarHBondContact O-CA 3.43Å; P77-T79 PolarHBondContact O-N 2.93Å; P77-T79 VanDerWaalsContact O-N 3.14Å; P77-T80 WeakPolarHBondContact O-CB 3.43Å; P77-T80 PolarHBondContact O-N 2.96Å; P77-T80 PolarHBondContact O-OG1 2.91Å |
| 78 | W | 89.1 | Confident | 90.9 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 16% | 0.163 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -32.4 | 173.8 | -84.5 | 117.2 | 0 | 0 | 0 | 113.1 | R61 R62 R63 I65 T80 L81 L92 K93 F115 | R61-W78 PolarHBondContact O-NE1 3.38Å; R62-W78 VanDerWaalsContact O-CD1 3.25Å; R63-W78 PolarHBondContact O-N 3.38Å; I65-W78 HydrophobicContact CD1-CE3 4.17Å; I65-W78 HydrophobicContact CD1-CZ3 4.27Å; I65-W78 HydrophobicContact CG2-CD2 3.35Å; I65-W78 HydrophobicContact CG2-CE3 3.66Å; I65-W78 HydrophobicContact CG2-CG 4.08Å; I65-W78 HydrophobicContact CG2-CH2 3.45Å; I65-W78 VanDerWaalsContact CG2-CH2 3.45Å; I65-W78 HydrophobicContact CG2-CZ2 3.07Å; I65-W78 HydrophobicContact CG2-CZ3 3.72Å; W78-T80 PolarHBondContact O-N 3.45Å; W78-L81 HydrophobicContact CE3-CD1 3.96Å; W78-L81 HydrophobicContact CZ3-CD1 4.01Å; W78-L81 PolarHBondContact O-N 3.45Å; W78-L81 VanDerWaalsContact O-N 3.09Å; W78-L92 HydrophobicContact CZ3-CB 4.27Å; W78-K93 HydrophobicContact CD2-CD 4.29Å; W78-K93 HydrophobicContact CE3-CD 3.55Å; W78-K93 HydrophobicContact CE3-CG 4.01Å; W78-K93 HydrophobicContact CZ3-CD 3.95Å; W78-K93 HydrophobicContact CZ3-CG 4.15Å; W78-K93 WeakPolarHBondContact O-CE 3.34Å; W78-F115 HydrophobicContact CH2-CE2 4.3Å; W78-F115 HydrophobicContact CH2-CZ 4.25Å |
| 79 | T | 87.8 | Confident | 90.8 | Very high | 74 Ų | 74 | 41 Ų | 41 | 45% | 0.454 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -22 | 177.9 | 58.4 | 0 | 0 | 0 | 0 | 114 | P77 L81 D82 | P77-T79 PolarHBondContact O-N 2.93Å; P77-T79 VanDerWaalsContact O-N 3.14Å; T79-L81 VanDerWaalsContact C-N 3.27Å; T79-D82 WeakPolarHBondContact CA-OD2 3.37Å |
| 80 | T | 86.6 | Confident | 90.6 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.2 | -33.5 | 175.7 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | R42 P77 W78 L131 | R42-T80 VanDerWaalsContact CB-OG1 3.26Å; R42-T80 WeakPolarHBondContact CB-OG1 3.46Å; R42-T80 PolarHBondContact O-OG1 2.68Å; P77-T80 WeakPolarHBondContact O-CB 3.43Å; P77-T80 PolarHBondContact O-N 2.96Å; P77-T80 PolarHBondContact O-OG1 2.91Å; W78-T80 PolarHBondContact O-N 3.45Å; T80-L131 HydrophobicContact CG2-CB 4.43Å |
| 81 | L | 87.8 | Confident | 90.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -78.7 | -26 | -178.6 | -57.9 | -172.5 | 0 | 0 | 0 | 112.7 | I65 W78 T79 E83 F84 L89 K93 | I65-L81 HydrophobicContact CD1-CD1 3.3Å; I65-L81 HydrophobicContact CD1-CG 4.04Å; W78-L81 HydrophobicContact CE3-CD1 3.96Å; W78-L81 HydrophobicContact CZ3-CD1 4.01Å; W78-L81 PolarHBondContact O-N 3.45Å; W78-L81 VanDerWaalsContact O-N 3.09Å; T79-L81 VanDerWaalsContact C-N 3.27Å; L81-E83 PolarHBondContact O-N 2.86Å; L81-F84 CarbonylContact O-C 3.53Å; L81-F84 PolarHBondContact O-N 3.34Å; L81-L89 HydrophobicContact CD1-CB 4.5Å; L81-L89 VanDerWaalsContact CD1-O 3.28Å; L81-L89 WeakPolarHBondContact CD1-O 3.36Å; L81-L89 HydrophobicContact CD2-CB 3.62Å; L81-L89 HydrophobicContact CD2-CD1 4.32Å; L81-K93 HydrophobicContact CB-CG 4.23Å |
| 82 | D | 85.8 | Confident | 90.6 | Very high | 88 Ų | 88 | 41.3 Ų | 41.3 | 47% | 0.471 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.4 | -25.2 | 178.2 | -65.4 | -34.9 | 0 | 0 | 0 | 112.5 | T79 F84 K93 | T79-D82 WeakPolarHBondContact CA-OD2 3.37Å; D82-F84 VanDerWaalsContact C-N 3.29Å; D82-K93 VanDerWaalsContact OD1-CE 3.24Å; D82-K93 WeakPolarHBondContact OD1-CE 3.48Å; D82-K93 IonicContact OD1-NZ 3.63Å; D82-K93 PolarHBondContact OD1-NZ 3.11Å; D82-K93 IonicContact OD2-NZ 2.69Å; D82-K93 PolarHBondContact OD2-NZ 3.09Å |
| 83 | E | 84.1 | Confident | 90.4 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -16.6 | 176.9 | -65 | 178.6 | -169.1 | 0 | 0 | 112.8 | F39 R42 L81 P85 | F39-E83 WeakPolarHBondContact CD1-OE2 3.27Å; F39-E83 WeakPolarHBondContact CE1-OE1 3.43Å; F39-E83 WeakPolarHBondContact CE1-OE2 3.48Å; R42-E83 IonicContact CZ-OE1 3.53Å; R42-E83 IonicContact NH1-OE1 3.36Å; R42-E83 PolarHBondContact NH1-OE1 3.08Å; L81-E83 PolarHBondContact O-N 2.86Å; E83-P85 VanDerWaalsContact C-CD 3.49Å |
| 84 | F | 87.3 | Confident | 90.2 | Very high | 41 Ų | 41 | 45 Ų | 45 | 18% | 0.18 | 24% | 0.241 | C | C | . | . | trans | -134.5 | 55.5 | -173.6 | -58.5 | -81.8 | 0 | 0 | 0 | 112.1 | L81 D82 L86 T87 G90 F130 L131 | L81-F84 CarbonylContact O-C 3.53Å; L81-F84 PolarHBondContact O-N 3.34Å; D82-F84 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 2.71Å; F84-L86 VanDerWaalsContact O-N 3.15Å; F84-T87 HydrophobicContact CB-CG2 3.77Å; F84-T87 PolarHBondContact O-N 2.99Å; F84-T87 VanDerWaalsContact O-N 3.08Å; F84-T87 PolarHBondContact O-OG1 2.99Å; F84-G90 WeakPolarHBondContact O-CA 3.33Å; F84-F130 HydrophobicContact CD1-CE1 4.09Å; F84-F130 HydrophobicContact CD1-CZ 4.35Å; F84-F130 AromaticContact CE1-CE1 3.81Å; F84-F130 HydrophobicContact CE1-CE1 3.81Å; F84-F130 AromaticContact CE1-CZ 3.77Å; F84-F130 HydrophobicContact CE1-CZ 3.77Å; F84-L131 HydrophobicContact CB-CD2 3.96Å; F84-L131 HydrophobicContact CD1-CD2 4.06Å; F84-L131 HydrophobicContact CD2-CD2 3.49Å; F84-L131 VanDerWaalsContact CD2-CD2 3.49Å; F84-L131 HydrophobicContact CE1-CD2 4.45Å; F84-L131 HydrophobicContact CE2-CB 4.39Å; F84-L131 HydrophobicContact CE2-CD2 3.95Å; F84-L131 WeakPolarHBondContact CE2-O 3.15Å; F84-L131 HydrophobicContact CG-CD2 3.56Å; F84-L131 HydrophobicContact CZ-CD2 4.4Å | ||
| 85 | P | 89.7 | Confident | 90.3 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.8 | -170.3 | 26.9 | -36 | 0 | 0 | 0 | 113.9 | E83 | E83-P85 VanDerWaalsContact C-CD 3.49Š|
| 86 | L | 90.3 | Very high | 90.3 | Very high | 152 Ų | 152 | 50.9 Ų | 50.9 | 80% | 0.796 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.8 | 180 | -58.8 | 179.5 | 0 | 0 | 0 | 113.3 | F84 | F84-L86 PolarHBondContact O-N 2.71Å; F84-L86 VanDerWaalsContact O-N 3.15Å |
| 87 | T | 93.5 | Very high | 90.5 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -72.5 | 157.9 | 176.6 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | F84 L89 G90 Q91 W154 I156 | F84-T87 HydrophobicContact CB-CG2 3.77Å; F84-T87 PolarHBondContact O-N 2.99Å; F84-T87 VanDerWaalsContact O-N 3.08Å; F84-T87 PolarHBondContact O-OG1 2.99Å; T87-L89 PolarHBondContact O-N 3.06Å; T87-G90 WeakPolarHBondContact O-CA 3.42Å; T87-G90 PolarHBondContact O-N 3.05Å; T87-G90 PolarHBondContact OG1-N 3.42Å; T87-G90 VanDerWaalsContact OG1-N 3.09Å; T87-Q91 WeakPolarHBondContact O-CG 3.43Å; T87-Q91 PolarHBondContact O-N 2.97Å; T87-W154 WeakPolarHBondContact CA-O 3.47Å; T87-W154 WeakPolarHBondContact CB-O 3.48Å; T87-I156 HydrophobicContact CG2-CG1 3.96Å |
| 88 | R | 95.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.7 | -42.2 | 175.9 | -178.9 | 176.5 | -77 | -96.6 | -1.9 | 111.8 | G90 Q91 V104 F117 Y153 W154 | R88-G90 VanDerWaalsContact C-N 3.35Å; R88-Q91 WeakPolarHBondContact O-CB 3.45Å; R88-Q91 PolarHBondContact O-N 3.39Å; R88-V104 HydrophobicContact CG-CG1 3.74Å; R88-V104 PolarHBondContact NH1-O 3.36Å; R88-V104 VanDerWaalsContact O-CG1 3.32Å; R88-V104 WeakPolarHBondContact O-CG1 3.45Å; R88-F117 HydrophobicContact CG-CE1 4.45Å; R88-Y153 VanDerWaalsContact CD-CE1 3.42Å; R88-Y153 WeakPolarHBondContact CD-O 3.33Å; R88-Y153 PolarHBondContact NE-O 3.33Å; R88-W154 HydrophobicContact CB-CE3 4.47Å; R88-W154 PolarHBondContact N-O 3.09Å |
| 89 | L | 94.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 174.8 | -67.6 | -175.8 | 0 | 0 | 0 | 112 | I67 L76 L81 T87 Q91 L92 F117 F124 L131 W154 | I67-L89 HydrophobicContact CD1-CD2 3.87Å; I67-L89 HydrophobicContact CG1-CD2 4.24Å; I67-L89 HydrophobicContact CG2-CD2 4.17Å; L76-L89 HydrophobicContact CD1-CD1 4.47Å; L81-L89 HydrophobicContact CD1-CB 4.5Å; L81-L89 VanDerWaalsContact CD1-O 3.28Å; L81-L89 WeakPolarHBondContact CD1-O 3.36Å; L81-L89 HydrophobicContact CD2-CB 3.62Å; L81-L89 HydrophobicContact CD2-CD1 4.32Å; T87-L89 PolarHBondContact O-N 3.06Å; L89-Q91 PolarHBondContact O-N 2.9Å; L89-L92 HydrophobicContact CD2-CD1 3.98Å; L89-L92 VanDerWaalsContact O-CB 3.28Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 WeakPolarHBondContact O-CG 3.3Å; L89-L92 PolarHBondContact O-N 3.22Å; L89-L92 VanDerWaalsContact O-N 3.13Å; L89-F117 HydrophobicContact CD2-CE1 4.45Å; L89-F117 HydrophobicContact CD2-CE2 3.96Å; L89-F117 HydrophobicContact CD2-CZ 3.72Å; L89-F124 HydrophobicContact CD1-CE2 3.87Å; L89-F124 HydrophobicContact CD1-CZ 3.96Å; L89-L131 HydrophobicContact CD1-CD1 3.75Å; L89-W154 HydrophobicContact CD1-CZ3 4.43Å; L89-W154 HydrophobicContact CD2-CE3 4.37Å; L89-W154 HydrophobicContact CD2-CZ3 3.71Å; L89-W154 HydrophobicContact CG-CE3 4.05Å; L89-W154 HydrophobicContact CG-CZ3 3.87Å |
| 90 | G | 92.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.7 | -38.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F84 T87 R88 L92 K93 | F84-G90 WeakPolarHBondContact O-CA 3.33Å; T87-G90 WeakPolarHBondContact O-CA 3.42Å; T87-G90 PolarHBondContact O-N 3.05Å; T87-G90 PolarHBondContact OG1-N 3.42Å; T87-G90 VanDerWaalsContact OG1-N 3.09Å; R88-G90 VanDerWaalsContact C-N 3.35Å; G90-L92 PolarHBondContact O-N 3.36Å; G90-K93 WeakPolarHBondContact O-CB 3.32Å; G90-K93 PolarHBondContact O-N 3.39Å; G90-K93 VanDerWaalsContact O-N 3.11Å |
| 91 | Q | 94.9 | Very high | 91.7 | Very high | 88 Ų | 88 | 60.9 Ų | 60.9 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -25.4 | 179.5 | -63.8 | 168.3 | 29.1 | 0 | 0 | 113.2 | T87 R88 L89 K93 A94 C95 V104 | T87-Q91 WeakPolarHBondContact O-CG 3.43Å; T87-Q91 PolarHBondContact O-N 2.97Å; R88-Q91 WeakPolarHBondContact O-CB 3.45Å; R88-Q91 PolarHBondContact O-N 3.39Å; L89-Q91 PolarHBondContact O-N 2.9Å; Q91-K93 PolarHBondContact O-N 3.06Å; Q91-K93 VanDerWaalsContact O-N 3.11Å; Q91-A94 PolarHBondContact O-N 3.26Å; Q91-C95 PolarHBondContact O-N 3.42Å; Q91-C95 PolarHBondContact O-SG 2.91Å; Q91-V104 HydrophobicContact CB-CG1 4.48Å; Q91-V104 HydrophobicContact CB-CG2 4.18Å |
| 92 | L | 94.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.5 | 175 | -64.1 | 174.8 | 0 | 0 | 0 | 112.6 | I67 W78 L89 G90 A94 C95 V104 F115 F117 | I67-L92 HydrophobicContact CD1-CD1 3.85Å; W78-L92 HydrophobicContact CZ3-CB 4.27Å; L89-L92 HydrophobicContact CD2-CD1 3.98Å; L89-L92 VanDerWaalsContact O-CB 3.28Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 WeakPolarHBondContact O-CG 3.3Å; L89-L92 PolarHBondContact O-N 3.22Å; L89-L92 VanDerWaalsContact O-N 3.13Å; G90-L92 PolarHBondContact O-N 3.36Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-C95 PolarHBondContact O-N 2.92Å; L92-V104 HydrophobicContact CD2-CB 3.92Å; L92-V104 HydrophobicContact CD2-CG1 3.51Å; L92-V104 HydrophobicContact CG-CG1 3.97Å; L92-F115 HydrophobicContact CD1-CB 4.5Å; L92-F115 HydrophobicContact CD1-CD1 4.24Å; L92-F115 HydrophobicContact CD1-CD2 4.37Å; L92-F115 HydrophobicContact CD1-CG 4.12Å; L92-F115 HydrophobicContact CD2-CD1 3.65Å; L92-F115 HydrophobicContact CD2-CE1 3.81Å; L92-F115 HydrophobicContact CD2-CG 4.34Å; L92-F117 HydrophobicContact CD1-CZ 4.26Å |
| 93 | K | 90.4 | Very high | 92.5 | Very high | 86 Ų | 86 | 66 Ų | 66 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.5 | 175.4 | -81.1 | -74.8 | -165 | 124.1 | 0 | 113.7 | W78 L81 D82 G90 Q91 | W78-K93 HydrophobicContact CD2-CD 4.29Å; W78-K93 HydrophobicContact CE3-CD 3.55Å; W78-K93 HydrophobicContact CE3-CG 4.01Å; W78-K93 HydrophobicContact CZ3-CD 3.95Å; W78-K93 HydrophobicContact CZ3-CG 4.15Å; W78-K93 WeakPolarHBondContact O-CE 3.34Å; L81-K93 HydrophobicContact CB-CG 4.23Å; D82-K93 VanDerWaalsContact OD1-CE 3.24Å; D82-K93 WeakPolarHBondContact OD1-CE 3.48Å; D82-K93 IonicContact OD1-NZ 3.63Å; D82-K93 PolarHBondContact OD1-NZ 3.11Å; D82-K93 IonicContact OD2-NZ 2.69Å; D82-K93 PolarHBondContact OD2-NZ 3.09Å; G90-K93 WeakPolarHBondContact O-CB 3.32Å; G90-K93 PolarHBondContact O-N 3.39Å; G90-K93 VanDerWaalsContact O-N 3.11Å; Q91-K93 PolarHBondContact O-N 3.06Å; Q91-K93 VanDerWaalsContact O-N 3.11Å |
| 94 | A | 90.9 | Very high | 93.1 | Very high | 77 Ų | 77 | 62.8 Ų | 62.8 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -11.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q91 L92 T96 | Q91-A94 PolarHBondContact O-N 3.26Å; L92-A94 VanDerWaalsContact C-N 3.31Å; A94-T96 PolarHBondContact O-N 3.1Å |
| 95 | C | 93.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 19% | 0.189 | 33% | 0.332 | C | S | . | . | trans | -69.8 | 129.8 | 179.8 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | Q91 L92 D100 I101 | Q91-C95 PolarHBondContact O-N 3.42Å; Q91-C95 PolarHBondContact O-SG 2.91Å; L92-C95 PolarHBondContact O-N 2.92Å; C95-D100 HydrophobicContact CB-CB 3.82Å; C95-I101 HydrophobicContact CB-CG1 3.72Å | ||
| 96 | T | 89.8 | Confident | 93.9 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 76% | 0.761 | 33% | 0.329 | S | S | * | . | trans | -113.2 | -23.6 | -177.1 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | A94 D100 | A94-T96 PolarHBondContact O-N 3.1Å; T96-D100 PolarHBondContact N-OD2 3.23Å; T96-D100 PolarHBondContact OG1-OD2 2.95Å | ||
| 97 | N | 92.9 | Very high | 94.2 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -133.7 | 173.6 | -177.8 | 64.9 | 62.7 | 0 | 0 | 0 | 110.6 | D99 D100 I101 | N97-D99 WeakPolarHBondContact OD1-CB 3.5Å; N97-D99 PolarHBondContact OD1-N 3.36Å; N97-D100 VanDerWaalsContact CG-CG 3.44Å; N97-D100 PolarHBondContact N-OD2 3.4Å; N97-D100 PolarHBondContact ND2-OD1 3.41Å; N97-D100 VanDerWaalsContact ND2-OD1 3.09Å; N97-D100 PolarHBondContact ND2-OD2 3.5Å; N97-D100 VanDerWaalsContact OD1-CG 3.29Å; N97-D100 PolarHBondContact OD1-N 2.88Å; N97-D100 PolarHBondContact OD1-OD1 2.92Å; N97-I101 WeakPolarHBondContact O-CG1 3.11Å; N97-I101 PolarHBondContact O-N 3.3Å |
| 98 | F | 92.4 | Very high | 94.3 | Very high | 98 Ų | 98 | 59.5 Ų | 59.5 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.9 | -36.1 | -176.5 | -172.8 | -102 | 0 | 0 | 0 | 112.8 | I101 L102 Y108 | F98-I101 WeakPolarHBondContact O-CB 3.03Å; F98-I101 PolarHBondContact O-N 3.48Å; F98-L102 HydrophobicContact CD1-CD1 3.79Å; F98-L102 HydrophobicContact CD1-CG 4.18Å; F98-L102 HydrophobicContact CE1-CD1 3.25Å; F98-L102 HydrophobicContact CE1-CD2 4.45Å; F98-L102 HydrophobicContact CE1-CG 3.87Å; F98-L102 HydrophobicContact CZ-CD1 3.83Å; F98-L102 HydrophobicContact CZ-CD2 4.25Å; F98-L102 HydrophobicContact CZ-CG 4.13Å; F98-L102 PolarHBondContact O-N 3.26Å; F98-Y108 AromaticContact CD2-CD1 3.99Å; F98-Y108 HydrophobicContact CD2-CD1 3.99Å; F98-Y108 AromaticContact CE2-CD1 3.94Å; F98-Y108 HydrophobicContact CE2-CD1 3.94Å |
| 99 | D | 94.1 | Very high | 94.2 | Very high | 112 Ų | 112 | 59.4 Ų | 59.4 | 60% | 0.599 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -68 | -40.2 | 179.5 | -59.8 | -33 | 0 | 0 | 0 | 111.3 | N97 I101 L102 N103 | N97-D99 WeakPolarHBondContact OD1-CB 3.5Å; N97-D99 PolarHBondContact OD1-N 3.36Å; D99-I101 VanDerWaalsContact C-N 3.25Å; D99-I101 PolarHBondContact O-N 3.43Å; D99-L102 PolarHBondContact O-N 3.14Å; D99-N103 PolarHBondContact O-N 3.04Å; D99-N103 PolarHBondContact O-ND2 3.42Å |
| 100 | D | 95.6 | Very high | 93.9 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.1 | -43.5 | 172.6 | -61.5 | -17.7 | 0 | 0 | 0 | 110.7 | C95 T96 N97 N103 | C95-D100 HydrophobicContact CB-CB 3.82Å; T96-D100 PolarHBondContact N-OD2 3.23Å; T96-D100 PolarHBondContact OG1-OD2 2.95Å; N97-D100 VanDerWaalsContact CG-CG 3.44Å; N97-D100 PolarHBondContact N-OD2 3.4Å; N97-D100 PolarHBondContact ND2-OD1 3.41Å; N97-D100 VanDerWaalsContact ND2-OD1 3.09Å; N97-D100 PolarHBondContact ND2-OD2 3.5Å; N97-D100 VanDerWaalsContact OD1-CG 3.29Å; N97-D100 PolarHBondContact OD1-N 2.88Å; N97-D100 PolarHBondContact OD1-OD1 2.92Å; D100-N103 PolarHBondContact O-N 3.26Å |
| 101 | I | 95.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 67.1 Ų | 67.1 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | -179.9 | -67.6 | 170 | 0 | 0 | 0 | 110.4 | C95 N97 F98 D99 N103 V104 C105 Y108 F115 | C95-I101 HydrophobicContact CB-CG1 3.72Å; N97-I101 WeakPolarHBondContact O-CG1 3.11Å; N97-I101 PolarHBondContact O-N 3.3Å; F98-I101 WeakPolarHBondContact O-CB 3.03Å; F98-I101 PolarHBondContact O-N 3.48Å; D99-I101 VanDerWaalsContact C-N 3.25Å; D99-I101 PolarHBondContact O-N 3.43Å; I101-N103 PolarHBondContact O-N 2.97Å; I101-V104 WeakPolarHBondContact O-CA 3.47Å; I101-V104 WeakPolarHBondContact O-CB 3.44Å; I101-V104 PolarHBondContact O-N 3.26Å; I101-C105 VanDerWaalsContact CG2-SG 3.53Å; I101-C105 PolarHBondContact O-N 2.88Å; I101-C105 PolarHBondContact O-SG 3.22Å; I101-C105 VanDerWaalsContact O-SG 3.38Å; I101-Y108 HydrophobicContact CD1-CD1 3.95Å; I101-Y108 HydrophobicContact CD1-CE1 3.83Å; I101-Y108 HydrophobicContact CG2-CD1 4.16Å; I101-Y108 HydrophobicContact CG2-CD2 4.22Å; I101-Y108 HydrophobicContact CG2-CG 3.78Å; I101-F115 HydrophobicContact CB-CE1 4.5Å; I101-F115 HydrophobicContact CD1-CE1 4.2Å; I101-F115 HydrophobicContact CG1-CE1 4.18Å; I101-F115 HydrophobicContact CG2-CD1 3.71Å; I101-F115 HydrophobicContact CG2-CE1 3.56Å |
| 102 | L | 95.8 | Very high | 93 | Very high | 68 Ų | 68 | 64.3 Ų | 64.3 | 36% | 0.356 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.6 | -16.6 | -179.5 | -67.7 | -172.2 | 0 | 0 | 0 | 113.9 | F98 D99 C105 | F98-L102 HydrophobicContact CD1-CD1 3.79Å; F98-L102 HydrophobicContact CD1-CG 4.18Å; F98-L102 HydrophobicContact CE1-CD1 3.25Å; F98-L102 HydrophobicContact CE1-CD2 4.45Å; F98-L102 HydrophobicContact CE1-CG 3.87Å; F98-L102 HydrophobicContact CZ-CD1 3.83Å; F98-L102 HydrophobicContact CZ-CD2 4.25Å; F98-L102 HydrophobicContact CZ-CG 4.13Å; F98-L102 PolarHBondContact O-N 3.26Å; D99-L102 PolarHBondContact O-N 3.14Å; L102-C105 CarbonylContact C-O 3.2Å; L102-C105 WeakPolarHBondContact CA-O 3.45Å; L102-C105 VanDerWaalsContact O-O 3.07Å |
| 103 | N | 95.4 | Very high | 92.8 | Very high | 128 Ų | 128 | 64.6 Ų | 64.6 | 68% | 0.684 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -73.3 | -19.9 | 167.9 | -70.9 | -46.2 | 0 | 0 | 0 | 112.5 | D99 D100 I101 | D99-N103 PolarHBondContact O-N 3.04Å; D99-N103 PolarHBondContact O-ND2 3.42Å; D100-N103 PolarHBondContact O-N 3.26Å; I101-N103 PolarHBondContact O-N 2.97Å |
| 104 | V | 96.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -101.2 | -40.3 | -176.9 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | R88 Q91 L92 I101 F117 | R88-V104 HydrophobicContact CG-CG1 3.74Å; R88-V104 PolarHBondContact NH1-O 3.36Å; R88-V104 VanDerWaalsContact O-CG1 3.32Å; R88-V104 WeakPolarHBondContact O-CG1 3.45Å; Q91-V104 HydrophobicContact CB-CG1 4.48Å; Q91-V104 HydrophobicContact CB-CG2 4.18Å; L92-V104 HydrophobicContact CD2-CB 3.92Å; L92-V104 HydrophobicContact CD2-CG1 3.51Å; L92-V104 HydrophobicContact CG-CG1 3.97Å; I101-V104 WeakPolarHBondContact O-CA 3.47Å; I101-V104 WeakPolarHBondContact O-CB 3.44Å; I101-V104 PolarHBondContact O-N 3.26Å; V104-F117 WeakPolarHBondContact O-CE1 3.46Å |
| 105 | C | 96.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -126.2 | 161.9 | -178.1 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | I101 L102 D107 F115 F116 F117 | I101-C105 VanDerWaalsContact CG2-SG 3.53Å; I101-C105 PolarHBondContact O-N 2.88Å; I101-C105 PolarHBondContact O-SG 3.22Å; I101-C105 VanDerWaalsContact O-SG 3.38Å; L102-C105 CarbonylContact C-O 3.2Å; L102-C105 WeakPolarHBondContact CA-O 3.45Å; L102-C105 VanDerWaalsContact O-O 3.07Å; C105-D107 PolarHBondContact SG-O 2.89Å; C105-D107 VanDerWaalsContact SG-O 3.32Å; C105-F115 HydrophobicContact CB-CB 4.38Å; C105-F116 WeakPolarHBondContact CB-O 3.33Å; C105-F117 HydrophobicContact CB-CD1 4.07Å; C105-F117 HydrophobicContact CB-CE1 3.58Å; C105-F117 HydrophobicContact CB-CE2 4.04Å; C105-F117 HydrophobicContact CB-CZ 3.55Å |
| 106 | D | 97.3 | Very high | 93.4 | Very high | 90 Ų | 90 | 59.5 Ų | 59.5 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -80.8 | -29 | -172.7 | -57.2 | -57.8 | 0 | 0 | 0 | 112.8 | F116 F117 D118 | D106-F116 HydrophobicContact CB-CD1 4.23Å; D106-F116 PolarHBondContact N-O 2.92Å; D106-F117 WeakPolarHBondContact OD2-CA 3.48Å; D106-D118 PolarHBondContact OD2-N 2.89Å |
| 107 | D | 96.9 | Very high | 93.8 | Very high | 97 Ų | 97 | 53.6 Ų | 53.6 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 157.7 | 173.3 | -163.8 | 5.7 | 0 | 0 | 0 | 111.1 | C105 F116 | C105-D107 PolarHBondContact SG-O 2.89Å; C105-D107 VanDerWaalsContact SG-O 3.32Å; D107-F116 HydrophobicContact CB-CB 3.94Å; D107-F116 HydrophobicContact CB-CD1 4.26Å; D107-F116 HydrophobicContact CB-CG 4.48Å; D107-F116 PolarHBondContact N-O 2.98Å; D107-F116 PolarHBondContact O-N 3.43Å |
| 108 | Y | 95.8 | Very high | 94 | Very high | 29 Ų | 29 | 56 Ų | 56 | 11% | 0.114 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 116.3 | -179.9 | 178.3 | -121.2 | 0 | 0 | 0 | 112.9 | F98 I101 V110 N113 E114 F115 | F98-Y108 AromaticContact CD2-CD1 3.99Å; F98-Y108 HydrophobicContact CD2-CD1 3.99Å; F98-Y108 AromaticContact CE2-CD1 3.94Å; F98-Y108 HydrophobicContact CE2-CD1 3.94Å; I101-Y108 HydrophobicContact CD1-CD1 3.95Å; I101-Y108 HydrophobicContact CD1-CE1 3.83Å; I101-Y108 HydrophobicContact CG2-CD1 4.16Å; I101-Y108 HydrophobicContact CG2-CD2 4.22Å; I101-Y108 HydrophobicContact CG2-CG 3.78Å; Y108-V110 HydrophobicContact CD1-CG2 3.88Å; Y108-V110 HydrophobicContact CE1-CB 4.31Å; Y108-V110 HydrophobicContact CE1-CG2 3.69Å; Y108-N113 PolarHBondContact OH-OD1 3.11Å; Y108-E114 WeakPolarHBondContact CA-O 3.36Å; Y108-E114 WeakPolarHBondContact CD2-O 3.34Å; Y108-F115 AromaticContact CD2-CD1 3.49Å; Y108-F115 HydrophobicContact CD2-CD1 3.49Å; Y108-F115 VanDerWaalsContact CD2-CD1 3.49Å; Y108-F115 HydrophobicContact CD2-CD2 4.24Å; Y108-F115 AromaticContact CD2-CE1 3.5Å; Y108-F115 HydrophobicContact CD2-CE1 3.5Å; Y108-F115 VanDerWaalsContact CD2-CE1 3.5Å; Y108-F115 HydrophobicContact CD2-CE2 4.23Å; Y108-F115 AromaticContact CD2-CG 3.89Å; Y108-F115 HydrophobicContact CD2-CG 3.89Å; Y108-F115 AromaticContact CD2-CZ 3.88Å; Y108-F115 HydrophobicContact CD2-CZ 3.88Å; Y108-F115 AromaticContact CE2-CD1 3.91Å; Y108-F115 HydrophobicContact CE2-CD1 3.91Å; Y108-F115 HydrophobicContact CE2-CD2 4.09Å; Y108-F115 AromaticContact CE2-CE1 3.51Å; Y108-F115 HydrophobicContact CE2-CE1 3.51Å; Y108-F115 AromaticContact CE2-CE2 3.69Å; Y108-F115 HydrophobicContact CE2-CE2 3.69Å; Y108-F115 HydrophobicContact CE2-CG 4.2Å; Y108-F115 AromaticContact CE2-CZ 3.38Å; Y108-F115 HydrophobicContact CE2-CZ 3.38Å; Y108-F115 HydrophobicContact CG-CD1 4.32Å; Y108-F115 HydrophobicContact CG-CE1 4.28Å |
| 109 | D | 92.2 | Very high | 94.2 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 32% | 0.316 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 105.2 | 171.7 | 176.7 | 10.5 | 0 | 0 | 0 | 110.9 | T111 C112 N113 E114 | D109-T111 VanDerWaalsContact CG-OG1 3.26Å; D109-T111 PolarHBondContact O-N 3.26Å; D109-T111 WeakPolarHBondContact OD1-CA 3.22Å; D109-T111 WeakPolarHBondContact OD1-CB 3.35Å; D109-T111 PolarHBondContact OD1-N 3.41Å; D109-T111 PolarHBondContact OD1-OG1 3.43Å; D109-T111 PolarHBondContact OD2-OG1 3.23Å; D109-T111 VanDerWaalsContact OD2-OG1 3.08Å; D109-C112 PolarHBondContact O-N 3.02Å; D109-C112 WeakPolarHBondContact OD2-CB 3.35Å; D109-C112 PolarHBondContact OD2-SG 3.07Å; D109-N113 WeakPolarHBondContact O-CA 3.23Å; D109-N113 PolarHBondContact O-N 3.21Å; D109-E114 HydrophobicContact CB-CB 4.25Å; D109-E114 PolarHBondContact N-O 3.39Å; D109-E114 PolarHBondContact O-N 2.9Å |
| 110 | V | 88.4 | Confident | 94.3 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28.1 | 177.8 | -173.9 | 0 | 0 | 0 | 0 | 112.4 | R61 Y108 | R61-V110 PolarHBondContact NH1-O 3.11Å; R61-V110 PolarHBondContact NH2-O 2.89Å; Y108-V110 HydrophobicContact CD1-CG2 3.88Å; Y108-V110 HydrophobicContact CE1-CB 4.31Å; Y108-V110 HydrophobicContact CE1-CG2 3.69Å |
| 111 | T | 85.6 | Confident | 94.3 | Very high | 93 Ų | 93 | 51.9 Ų | 51.9 | 57% | 0.571 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -42.1 | -176.4 | 70.2 | 0 | 0 | 0 | 0 | 111.3 | D109 | D109-T111 VanDerWaalsContact CG-OG1 3.26Å; D109-T111 PolarHBondContact O-N 3.26Å; D109-T111 WeakPolarHBondContact OD1-CA 3.22Å; D109-T111 WeakPolarHBondContact OD1-CB 3.35Å; D109-T111 PolarHBondContact OD1-N 3.41Å; D109-T111 PolarHBondContact OD1-OG1 3.43Å; D109-T111 PolarHBondContact OD2-OG1 3.23Å; D109-T111 VanDerWaalsContact OD2-OG1 3.08Å |
| 112 | C | 83 | Confident | 94.2 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -9.1 | -179.9 | -61.3 | 0 | 0 | 0 | 0 | 113.7 | I66 D109 E114 | I66-C112 HydrophobicContact CD1-CB 4.45Å; D109-C112 PolarHBondContact O-N 3.02Å; D109-C112 WeakPolarHBondContact OD2-CB 3.35Å; D109-C112 PolarHBondContact OD2-SG 3.07Å; C112-E114 VanDerWaalsContact C-N 3.29Å; C112-E114 HydrophobicContact CB-CB 4.04Å |
| 113 | N | 89.3 | Confident | 94.2 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.059 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 48.1 | -167.7 | -164.3 | 42.1 | 0 | 0 | 0 | 111.1 | R61 R64 I66 Y108 D109 | R61-N113 HydrophobicContact CB-CB 4.33Å; R61-N113 HydrophobicContact CG-CB 4.03Å; R61-N113 PolarHBondContact O-ND2 2.94Å; R64-N113 PolarHBondContact O-ND2 3.5Å; I66-N113 PolarHBondContact N-O 3.49Å; Y108-N113 PolarHBondContact OH-OD1 3.11Å; D109-N113 WeakPolarHBondContact O-CA 3.23Å; D109-N113 PolarHBondContact O-N 3.21Å |
| 114 | E | 93.7 | Very high | 94.2 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.4 | -174.9 | 173.7 | 176.6 | 161.1 | 0 | 0 | 110.5 | I66 N68 K73 Y108 D109 C112 | I66-E114 HydrophobicContact CB-CB 3.96Å; I66-E114 HydrophobicContact CB-CG 4.22Å; I66-E114 HydrophobicContact CG2-CB 4.07Å; I66-E114 HydrophobicContact CG2-CG 3.81Å; I66-E114 WeakPolarHBondContact O-CA 3.49Å; N68-E114 HydrophobicContact CB-CG 4.02Å; N68-E114 VanDerWaalsContact CB-OE1 3.28Å; N68-E114 WeakPolarHBondContact CB-OE1 3.45Å; N68-E114 PolarHBondContact ND2-OE1 2.94Å; K73-E114 WeakPolarHBondContact CE-OE1 3.41Å; K73-E114 VanDerWaalsContact CE-OE2 3.26Å; K73-E114 WeakPolarHBondContact CE-OE2 3.35Å; K73-E114 IonicContact NZ-OE1 2.79Å; K73-E114 IonicContact NZ-OE2 2.79Å; K73-E114 PolarHBondContact NZ-OE2 2.77Å; Y108-E114 WeakPolarHBondContact CA-O 3.36Å; Y108-E114 WeakPolarHBondContact CD2-O 3.34Å; D109-E114 HydrophobicContact CB-CB 4.25Å; D109-E114 PolarHBondContact N-O 3.39Å; D109-E114 PolarHBondContact O-N 2.9Å; C112-E114 VanDerWaalsContact C-N 3.29Å; C112-E114 HydrophobicContact CB-CB 4.04Å |
| 115 | F | 96.4 | Very high | 94 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.7 | 177.1 | -59.2 | -95.3 | 0 | 0 | 0 | 108.9 | I65 I66 I67 N68 W78 L92 I101 C105 Y108 F117 | I65-F115 HydrophobicContact CB-CE2 4.43Å; I65-F115 HydrophobicContact CG2-CE2 4.24Å; I66-F115 PolarHBondContact O-N 2.75Å; I67-F115 HydrophobicContact CD1-CB 4.12Å; I67-F115 HydrophobicContact CD1-CD2 4.23Å; I67-F115 HydrophobicContact CD1-CG 4.49Å; N68-F115 PolarHBondContact N-O 2.61Å; W78-F115 HydrophobicContact CH2-CE2 4.3Å; W78-F115 HydrophobicContact CH2-CZ 4.25Å; L92-F115 HydrophobicContact CD1-CB 4.5Å; L92-F115 HydrophobicContact CD1-CD1 4.24Å; L92-F115 HydrophobicContact CD1-CD2 4.37Å; L92-F115 HydrophobicContact CD1-CG 4.12Å; L92-F115 HydrophobicContact CD2-CD1 3.65Å; L92-F115 HydrophobicContact CD2-CE1 3.81Å; L92-F115 HydrophobicContact CD2-CG 4.34Å; I101-F115 HydrophobicContact CB-CE1 4.5Å; I101-F115 HydrophobicContact CD1-CE1 4.2Å; I101-F115 HydrophobicContact CG1-CE1 4.18Å; I101-F115 HydrophobicContact CG2-CD1 3.71Å; I101-F115 HydrophobicContact CG2-CE1 3.56Å; C105-F115 HydrophobicContact CB-CB 4.38Å; Y108-F115 AromaticContact CD2-CD1 3.49Å; Y108-F115 HydrophobicContact CD2-CD1 3.49Å; Y108-F115 VanDerWaalsContact CD2-CD1 3.49Å; Y108-F115 HydrophobicContact CD2-CD2 4.24Å; Y108-F115 AromaticContact CD2-CE1 3.5Å; Y108-F115 HydrophobicContact CD2-CE1 3.5Å; Y108-F115 VanDerWaalsContact CD2-CE1 3.5Å; Y108-F115 HydrophobicContact CD2-CE2 4.23Å; Y108-F115 AromaticContact CD2-CG 3.89Å; Y108-F115 HydrophobicContact CD2-CG 3.89Å; Y108-F115 AromaticContact CD2-CZ 3.88Å; Y108-F115 HydrophobicContact CD2-CZ 3.88Å; Y108-F115 AromaticContact CE2-CD1 3.91Å; Y108-F115 HydrophobicContact CE2-CD1 3.91Å; Y108-F115 HydrophobicContact CE2-CD2 4.09Å; Y108-F115 AromaticContact CE2-CE1 3.51Å; Y108-F115 HydrophobicContact CE2-CE1 3.51Å; Y108-F115 AromaticContact CE2-CE2 3.69Å; Y108-F115 HydrophobicContact CE2-CE2 3.69Å; Y108-F115 HydrophobicContact CE2-CG 4.2Å; Y108-F115 AromaticContact CE2-CZ 3.38Å; Y108-F115 HydrophobicContact CE2-CZ 3.38Å; Y108-F115 HydrophobicContact CG-CD1 4.32Å; Y108-F115 HydrophobicContact CG-CE1 4.28Å; F115-F117 HydrophobicContact CB-CE2 3.76Å; F115-F117 HydrophobicContact CB-CZ 4.34Å |
| 116 | F | 97.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 45 Ų | 45 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.7 | -176.9 | -177.8 | -100.1 | 0 | 0 | 0 | 111.8 | N68 C105 D106 D107 D118 | N68-F116 HydrophobicContact CB-CD2 4Å; N68-F116 CarbonylContact O-C 3.53Å; N68-F116 WeakPolarHBondContact O-CA 3.37Å; C105-F116 WeakPolarHBondContact CB-O 3.33Å; D106-F116 HydrophobicContact CB-CD1 4.23Å; D106-F116 PolarHBondContact N-O 2.92Å; D107-F116 HydrophobicContact CB-CB 3.94Å; D107-F116 HydrophobicContact CB-CD1 4.26Å; D107-F116 HydrophobicContact CB-CG 4.48Å; D107-F116 PolarHBondContact N-O 2.98Å; D107-F116 PolarHBondContact O-N 3.43Å; F116-D118 HydrophobicContact CE1-CB 3.97Å; F116-D118 HydrophobicContact CZ-CB 4.49Å |
| 117 | F | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 118.7 | 178.2 | -59.7 | -94.6 | 0 | 0 | 0 | 108.9 | I67 N68 V69 G70 R88 L89 L92 V104 C105 D106 F115 R119 Y153 W154 | I67-F117 HydrophobicContact CD1-CE2 4.16Å; I67-F117 HydrophobicContact CG2-CD2 3.87Å; I67-F117 HydrophobicContact CG2-CE2 3.83Å; N68-F117 PolarHBondContact O-N 3.46Å; V69-F117 WeakPolarHBondContact CA-O 3.41Å; V69-F117 HydrophobicContact CG1-CB 4.47Å; V69-F117 HydrophobicContact CG2-CB 4.25Å; V69-F117 HydrophobicContact CG2-CD2 4.41Å; G70-F117 PolarHBondContact N-O 3.43Å; R88-F117 HydrophobicContact CG-CE1 4.45Å; L89-F117 HydrophobicContact CD2-CE1 4.45Å; L89-F117 HydrophobicContact CD2-CE2 3.96Å; L89-F117 HydrophobicContact CD2-CZ 3.72Å; L92-F117 HydrophobicContact CD1-CZ 4.26Å; V104-F117 WeakPolarHBondContact O-CE1 3.46Å; C105-F117 HydrophobicContact CB-CD1 4.07Å; C105-F117 HydrophobicContact CB-CE1 3.58Å; C105-F117 HydrophobicContact CB-CE2 4.04Å; C105-F117 HydrophobicContact CB-CZ 3.55Å; D106-F117 WeakPolarHBondContact OD2-CA 3.48Å; F115-F117 HydrophobicContact CB-CE2 3.76Å; F115-F117 HydrophobicContact CB-CZ 4.34Å; F117-R119 HydrophobicContact CB-CG 4.3Å; F117-R119 PolarHBondContact O-N 3.24Å; F117-Y153 HydrophobicContact CD1-CE1 4.17Å; F117-Y153 WeakPolarHBondContact CD1-OH 3.48Å; F117-W154 HydrophobicContact CB-CH2 3.89Å; F117-W154 HydrophobicContact CB-CZ2 4.46Å; F117-W154 AromaticContact CD1-CH2 3.75Å; F117-W154 HydrophobicContact CD1-CH2 3.75Å; F117-W154 AromaticContact CD1-CZ3 3.93Å; F117-W154 HydrophobicContact CD1-CZ3 3.93Å; F117-W154 HydrophobicContact CD2-CH2 4.13Å; F117-W154 HydrophobicContact CE1-CH2 4.3Å; F117-W154 HydrophobicContact CE1-CZ3 4.03Å; F117-W154 AromaticContact CG-CH2 3.65Å; F117-W154 HydrophobicContact CG-CH2 3.65Å; F117-W154 HydrophobicContact CG-CZ3 4.19Å; F117-W154 HydrophobicContact CZ-CZ3 4.39Å |
| 118 | D | 97.3 | Very high | 93.3 | Very high | 118 Ų | 118 | 36.2 Ų | 36.2 | 63% | 0.631 | 21% | 0.209 | S | C | * | . | trans | -81.1 | 59.2 | 177.4 | -165.4 | 19.5 | 0 | 0 | 0 | 111 | D106 F116 | D106-D118 PolarHBondContact OD2-N 2.89Å; F116-D118 HydrophobicContact CE1-CB 3.97Å; F116-D118 HydrophobicContact CZ-CB 4.49Å | ||
| 119 | R | 97.5 | Very high | 93 | Very high | 72 Ų | 72 | 37.9 Ų | 37.9 | 27% | 0.272 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -124.5 | 172.3 | -175.4 | -58.5 | -56.3 | -54.7 | -178.4 | -0.8 | 112 | V69 F117 P121 E150 Y153 W154 | V69-R119 HydrophobicContact CG1-CB 3.9Å; V69-R119 WeakPolarHBondContact CG1-O 3.34Å; F117-R119 HydrophobicContact CB-CG 4.3Å; F117-R119 PolarHBondContact O-N 3.24Å; R119-P121 VanDerWaalsContact O-CD 3.22Å; R119-P121 WeakPolarHBondContact O-CD 3.5Å; R119-E150 IonicContact CZ-OE1 2.65Å; R119-E150 VanDerWaalsContact CZ-OE1 3.27Å; R119-E150 IonicContact NE-OE1 3.81Å; R119-E150 PolarHBondContact NE-OE1 2.79Å; R119-E150 IonicContact NH2-OE1 3.76Å; R119-E150 PolarHBondContact NH2-OE1 2.88Å; R119-Y153 HydrophobicContact CG-CD1 3.93Å; R119-Y153 HydrophobicContact CG-CE1 3.45Å; R119-Y153 VanDerWaalsContact CG-CE1 3.45Å; R119-Y153 HydrophobicContact CG-CE2 4.23Å; R119-Y153 HydrophobicContact CG-CG 4.5Å; R119-W154 HydrophobicContact CB-CZ2 4.05Å; R119-W154 HydrophobicContact CG-CZ2 4.17Å |
| 120 | N | 95.9 | Very high | 92.9 | Very high | 65 Ų | 65 | 35.5 Ų | 35.5 | 35% | 0.348 | 21% | 0.209 | S | C | . | . | trans | -71.1 | 114.8 | -176.7 | -171.2 | -65 | 0 | 0 | 0 | 112.1 | G122 A123 F124 M142 | N120-G122 VanDerWaalsContact C-N 3.26Å; N120-G122 PolarHBondContact O-N 3.43Å; N120-G122 VanDerWaalsContact OD1-CA 3.29Å; N120-G122 WeakPolarHBondContact OD1-CA 3.34Å; N120-G122 PolarHBondContact OD1-N 3.1Å; N120-A123 HydrophobicContact CB-CB 4.2Å; N120-A123 PolarHBondContact O-N 3.09Å; N120-A123 PolarHBondContact OD1-N 3.05Å; N120-F124 PolarHBondContact O-N 3.36Å; N120-F124 VanDerWaalsContact O-N 3.1Å; N120-M142 HydrophobicContact CB-CE 4.07Å; N120-M142 VanDerWaalsContact CG-CE 3.44Å; N120-M142 WeakPolarHBondContact ND2-CE 3.27Å | ||
| 121 | P | 94.9 | Very high | 92.7 | Very high | 40 Ų | 40 | 32.1 Ų | 32.1 | 26% | 0.26 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.5 | -26.3 | -179 | 23 | -31.4 | 0 | 0 | 0 | 113.8 | I72 R119 G125 | I72-P121 HydrophobicContact CB-CB 4.31Å; I72-P121 HydrophobicContact CD1-CB 3.59Å; I72-P121 HydrophobicContact CD1-CG 4.2Å; I72-P121 HydrophobicContact CG1-CB 3.84Å; I72-P121 HydrophobicContact CG1-CG 4.45Å; R119-P121 VanDerWaalsContact O-CD 3.22Å; R119-P121 WeakPolarHBondContact O-CD 3.5Å; P121-G125 PolarHBondContact O-N 3.26Å |
| 122 | G | 93.7 | Very high | 92.5 | Very high | 37 Ų | 37 | 30.3 Ų | 30.3 | 38% | 0.381 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.5 | -48.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | N120 F124 G125 | N120-G122 VanDerWaalsContact C-N 3.26Å; N120-G122 PolarHBondContact O-N 3.43Å; N120-G122 VanDerWaalsContact OD1-CA 3.29Å; N120-G122 WeakPolarHBondContact OD1-CA 3.34Å; N120-G122 PolarHBondContact OD1-N 3.1Å; G122-F124 VanDerWaalsContact C-N 3.34Å; G122-G125 PolarHBondContact O-N 3Å |
| 123 | A | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N120 G125 T126 I127 M142 E150 | N120-A123 HydrophobicContact CB-CB 4.2Å; N120-A123 PolarHBondContact O-N 3.09Å; N120-A123 PolarHBondContact OD1-N 3.05Å; A123-G125 PolarHBondContact O-N 2.7Å; A123-T126 WeakPolarHBondContact O-CB 3.21Å; A123-T126 PolarHBondContact O-N 3.28Å; A123-I127 PolarHBondContact O-N 3.42Å; A123-I127 VanDerWaalsContact O-N 3.14Å; A123-M142 HydrophobicContact CB-CE 3.81Å; A123-M142 HydrophobicContact CB-SD 3.84Å; A123-E150 HydrophobicContact CB-CB 3.93Å; A123-E150 HydrophobicContact CB-CG 3.55Å |
| 124 | F | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.2 | -34.1 | 180 | -172.8 | -105.5 | 0 | 0 | 0 | 112.9 | I67 V69 Y74 L89 N120 G122 T126 I127 L128 W154 | I67-F124 HydrophobicContact CG2-CE1 4.19Å; I67-F124 HydrophobicContact CG2-CE2 4.45Å; I67-F124 HydrophobicContact CG2-CZ 3.75Å; V69-F124 HydrophobicContact CB-CB 4.24Å; V69-F124 HydrophobicContact CB-CD1 4.05Å; V69-F124 HydrophobicContact CB-CG 4.08Å; V69-F124 HydrophobicContact CG1-CB 3.88Å; V69-F124 HydrophobicContact CG1-CG 4.14Å; V69-F124 HydrophobicContact CG2-CB 4.28Å; V69-F124 HydrophobicContact CG2-CD1 3.53Å; V69-F124 HydrophobicContact CG2-CD2 3.89Å; V69-F124 HydrophobicContact CG2-CE1 3.72Å; V69-F124 HydrophobicContact CG2-CE2 4.06Å; V69-F124 HydrophobicContact CG2-CG 3.61Å; V69-F124 HydrophobicContact CG2-CZ 3.97Å; Y74-F124 AromaticContact CD2-CD1 3.84Å; Y74-F124 HydrophobicContact CD2-CD1 3.84Å; Y74-F124 AromaticContact CD2-CE1 3.49Å; Y74-F124 HydrophobicContact CD2-CE1 3.49Å; Y74-F124 VanDerWaalsContact CD2-CE1 3.49Å; Y74-F124 AromaticContact CE2-CD1 3.43Å; Y74-F124 HydrophobicContact CE2-CD1 3.43Å; Y74-F124 VanDerWaalsContact CE2-CD1 3.43Å; Y74-F124 AromaticContact CE2-CE1 3.62Å; Y74-F124 HydrophobicContact CE2-CE1 3.62Å; Y74-F124 AromaticContact CG-CE1 3.98Å; Y74-F124 HydrophobicContact CG-CE1 3.98Å; Y74-F124 AromaticContact CZ-CD1 3.79Å; L89-F124 HydrophobicContact CD1-CE2 3.87Å; L89-F124 HydrophobicContact CD1-CZ 3.96Å; N120-F124 PolarHBondContact O-N 3.36Å; N120-F124 VanDerWaalsContact O-N 3.1Å; G122-F124 VanDerWaalsContact C-N 3.34Å; F124-T126 PolarHBondContact O-N 3.32Å; F124-I127 HydrophobicContact CD2-CB 4.44Å; F124-I127 HydrophobicContact CD2-CG2 4.25Å; F124-I127 HydrophobicContact CE2-CG2 4.37Å; F124-I127 PolarHBondContact O-N 2.93Å; F124-L128 HydrophobicContact CD1-CB 4.47Å; F124-L128 HydrophobicContact CE1-CB 4.21Å; F124-L128 HydrophobicContact CE1-CD2 4.08Å; F124-L128 WeakPolarHBondContact O-CB 3.35Å; F124-L128 PolarHBondContact O-N 3.5Å; F124-W154 HydrophobicContact CB-CZ2 4.47Å; F124-W154 HydrophobicContact CD2-CD2 4.13Å; F124-W154 AromaticContact CD2-CE2 3.65Å; F124-W154 HydrophobicContact CD2-CE3 4.33Å; F124-W154 AromaticContact CD2-CH2 3.64Å; F124-W154 HydrophobicContact CD2-CH2 3.64Å; F124-W154 AromaticContact CD2-CZ2 3.39Å; F124-W154 HydrophobicContact CD2-CZ2 3.39Å; F124-W154 HydrophobicContact CD2-CZ3 4.11Å; F124-W154 HydrophobicContact CE2-CD2 4.37Å; F124-W154 HydrophobicContact CE2-CE3 4.13Å; F124-W154 AromaticContact CE2-CH2 3.66Å; F124-W154 HydrophobicContact CE2-CH2 3.66Å; F124-W154 AromaticContact CE2-CZ2 3.92Å; F124-W154 HydrophobicContact CE2-CZ2 3.92Å; F124-W154 AromaticContact CE2-CZ3 3.78Å; F124-W154 HydrophobicContact CE2-CZ3 3.78Å; F124-W154 HydrophobicContact CG-CZ2 4.21Å |
| 125 | G | 93.1 | Very high | 91.5 | Very high | 26 Ų | 26 | 34.2 Ų | 34.2 | 27% | 0.268 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.4 | -36.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P121 G122 A123 T129 | P121-G125 PolarHBondContact O-N 3.26Å; G122-G125 PolarHBondContact O-N 3Å; A123-G125 PolarHBondContact O-N 2.7Å; G125-T129 PolarHBondContact O-N 3.29Å; G125-T129 VanDerWaalsContact O-N 3.16Å; G125-T129 PolarHBondContact O-OG1 2.9Å |
| 126 | T | 93.1 | Very high | 91.3 | Very high | 20 Ų | 20 | 34 Ų | 34 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77 | -39.3 | 177.9 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | A123 F124 T129 F130 L136 R137 F147 | A123-T126 WeakPolarHBondContact O-CB 3.21Å; A123-T126 PolarHBondContact O-N 3.28Å; F124-T126 PolarHBondContact O-N 3.32Å; T126-T129 WeakPolarHBondContact O-CB 3.19Å; T126-T129 PolarHBondContact O-N 2.85Å; T126-T129 VanDerWaalsContact O-N 3.17Å; T126-F130 PolarHBondContact O-N 3.4Å; T126-L136 HydrophobicContact CG2-CD1 4.41Å; T126-R137 HydrophobicContact CG2-CB 4.37Å; T126-R137 WeakPolarHBondContact CG2-O 3.4Å; T126-F147 HydrophobicContact CG2-CZ 4.47Å |
| 127 | I | 93.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 174.8 | -69.7 | 173 | 0 | 0 | 0 | 111.1 | A123 F124 T129 F130 L131 E150 W154 I156 | A123-I127 PolarHBondContact O-N 3.42Å; A123-I127 VanDerWaalsContact O-N 3.14Å; F124-I127 HydrophobicContact CD2-CB 4.44Å; F124-I127 HydrophobicContact CD2-CG2 4.25Å; F124-I127 HydrophobicContact CE2-CG2 4.37Å; F124-I127 PolarHBondContact O-N 2.93Å; I127-T129 VanDerWaalsContact C-N 3.26Å; I127-T129 PolarHBondContact O-N 3.3Å; I127-F130 WeakPolarHBondContact O-CA 3.38Å; I127-F130 VanDerWaalsContact O-CB 3.29Å; I127-F130 WeakPolarHBondContact O-CB 3.36Å; I127-F130 PolarHBondContact O-N 2.95Å; I127-L131 HydrophobicContact CG2-CD1 4.43Å; I127-L131 WeakPolarHBondContact O-CG 3.45Å; I127-L131 PolarHBondContact O-N 3.41Å; I127-E150 HydrophobicContact CD1-CB 4.44Å; I127-W154 HydrophobicContact CD1-CB 4.01Å; I127-W154 HydrophobicContact CD1-CD2 4.41Å; I127-W154 HydrophobicContact CD1-CG 3.55Å; I127-W154 HydrophobicContact CG2-CB 4.41Å; I127-W154 HydrophobicContact CG2-CG 4.33Å; I127-I156 HydrophobicContact CB-CD1 4.27Å; I127-I156 HydrophobicContact CG1-CD1 4.2Å; I127-I156 HydrophobicContact CG2-CD1 3.45Å; I127-I156 VanDerWaalsContact CG2-CD1 3.45Å |
| 128 | L | 90.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -33.8 | 175.3 | -175.9 | 58.2 | 0 | 0 | 0 | 112.1 | A43 Y74 L76 F124 F130 L131 R132 | A43-L128 HydrophobicContact CB-CD1 3.94Å; Y74-L128 HydrophobicContact CD1-CD2 3.16Å; Y74-L128 HydrophobicContact CE1-CD2 3.51Å; Y74-L128 HydrophobicContact CG-CD2 3.78Å; L76-L128 HydrophobicContact CD2-CD1 3.62Å; F124-L128 HydrophobicContact CD1-CB 4.47Å; F124-L128 HydrophobicContact CE1-CB 4.21Å; F124-L128 HydrophobicContact CE1-CD2 4.08Å; F124-L128 WeakPolarHBondContact O-CB 3.35Å; F124-L128 PolarHBondContact O-N 3.5Å; L128-F130 VanDerWaalsContact C-N 3.34Å; L128-L131 PolarHBondContact O-N 3.45Å; L128-R132 WeakPolarHBondContact O-CB 3.34Å; L128-R132 WeakPolarHBondContact O-CD 3.44Å; L128-R132 WeakPolarHBondContact O-CG 3.48Å; L128-R132 PolarHBondContact O-N 2.93Å |
| 129 | T | 89.2 | Confident | 90.6 | Very high | 64 Ų | 64 | 34.1 Ų | 34.1 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 171.8 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | G125 T126 I127 R132 A133 | G125-T129 PolarHBondContact O-N 3.29Å; G125-T129 VanDerWaalsContact O-N 3.16Å; G125-T129 PolarHBondContact O-OG1 2.9Å; T126-T129 WeakPolarHBondContact O-CB 3.19Å; T126-T129 PolarHBondContact O-N 2.85Å; T126-T129 VanDerWaalsContact O-N 3.17Å; I127-T129 VanDerWaalsContact C-N 3.26Å; I127-T129 PolarHBondContact O-N 3.3Å; T129-R132 PolarHBondContact O-N 3.3Å; T129-A133 WeakPolarHBondContact O-CB 3.5Å; T129-A133 PolarHBondContact O-N 3.03Å |
| 130 | F | 88.9 | Confident | 90 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 172.6 | 167.3 | -106.9 | 0 | 0 | 0 | 111.9 | F84 T126 I127 L128 R132 A133 G134 K135 L136 I156 H160 | F84-F130 HydrophobicContact CD1-CE1 4.09Å; F84-F130 HydrophobicContact CD1-CZ 4.35Å; F84-F130 AromaticContact CE1-CE1 3.81Å; F84-F130 HydrophobicContact CE1-CE1 3.81Å; F84-F130 AromaticContact CE1-CZ 3.77Å; F84-F130 HydrophobicContact CE1-CZ 3.77Å; T126-F130 PolarHBondContact O-N 3.4Å; I127-F130 WeakPolarHBondContact O-CA 3.38Å; I127-F130 VanDerWaalsContact O-CB 3.29Å; I127-F130 WeakPolarHBondContact O-CB 3.36Å; I127-F130 PolarHBondContact O-N 2.95Å; L128-F130 VanDerWaalsContact C-N 3.34Å; F130-R132 PolarHBondContact O-N 2.72Å; F130-A133 PolarHBondContact O-N 3.21Å; F130-G134 WeakPolarHBondContact O-CA 3.44Å; F130-G134 PolarHBondContact O-N 2.93Å; F130-K135 WeakPolarHBondContact CA-O 3.3Å; F130-L136 HydrophobicContact CB-CB 4.01Å; F130-L136 HydrophobicContact CB-CD1 3.74Å; F130-L136 HydrophobicContact CB-CG 4.47Å; F130-L136 HydrophobicContact CD2-CB 3.75Å; F130-L136 HydrophobicContact CG-CB 4.05Å; F130-L136 HydrophobicContact CG-CD1 4.22Å; F130-I156 HydrophobicContact CD1-CD1 3.89Å; F130-I156 HydrophobicContact CD1-CG1 4.44Å; F130-I156 HydrophobicContact CD1-CG2 4.18Å; F130-I156 HydrophobicContact CE1-CD1 4.19Å; F130-I156 HydrophobicContact CE1-CG1 4.24Å; F130-I156 HydrophobicContact CE1-CG2 3.89Å; F130-I156 HydrophobicContact CZ-CG2 4.4Å; F130-H160 HydrophobicContact CD2-CB 4.37Å; F130-H160 HydrophobicContact CE2-CB 3.65Å; F130-H160 AromaticContact CE2-CD2 3.93Å; F130-H160 AromaticContact CE2-CG 3.84Å; F130-H160 HydrophobicContact CZ-CB 3.93Å; F130-H160 AromaticContact CZ-CD2 3.77Å; F130-H160 AromaticContact CZ-CG 3.68Å |
| 131 | L | 85.1 | Confident | 89.7 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -27.4 | 177.4 | -62.1 | 174.4 | 0 | 0 | 0 | 113.1 | T80 F84 L89 I127 L128 | T80-L131 HydrophobicContact CG2-CB 4.43Å; F84-L131 HydrophobicContact CB-CD2 3.96Å; F84-L131 HydrophobicContact CD1-CD2 4.06Å; F84-L131 HydrophobicContact CD2-CD2 3.49Å; F84-L131 VanDerWaalsContact CD2-CD2 3.49Å; F84-L131 HydrophobicContact CE1-CD2 4.45Å; F84-L131 HydrophobicContact CE2-CB 4.39Å; F84-L131 HydrophobicContact CE2-CD2 3.95Å; F84-L131 WeakPolarHBondContact CE2-O 3.15Å; F84-L131 HydrophobicContact CG-CD2 3.56Å; F84-L131 HydrophobicContact CZ-CD2 4.4Å; L89-L131 HydrophobicContact CD1-CD1 3.75Å; I127-L131 HydrophobicContact CG2-CD1 4.43Å; I127-L131 WeakPolarHBondContact O-CG 3.45Å; I127-L131 PolarHBondContact O-N 3.41Å; L128-L131 PolarHBondContact O-N 3.45Å |
| 132 | R | 80.7 | Confident | 89.6 | Confident | 55 Ų | 55 | 45.1 Ų | 45.1 | 21% | 0.208 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -91.7 | -25.5 | 180 | -72.7 | 171.7 | -174.3 | 172.9 | 0.4 | 115.2 | F39 A43 L128 T129 F130 | F39-R132 CarbonylContact C-O 3.34Å; F39-R132 WeakPolarHBondContact CB-O 3.5Å; A43-R132 HydrophobicContact CB-CG 3.97Å; A43-R132 PolarHBondContact O-NE 3.37Å; A43-R132 VanDerWaalsContact O-NE 3.12Å; A43-R132 PolarHBondContact O-NH2 2.91Å; L128-R132 WeakPolarHBondContact O-CB 3.34Å; L128-R132 WeakPolarHBondContact O-CD 3.44Å; L128-R132 WeakPolarHBondContact O-CG 3.48Å; L128-R132 PolarHBondContact O-N 2.93Å; T129-R132 PolarHBondContact O-N 3.3Å; F130-R132 PolarHBondContact O-N 2.72Å |
| 133 | A | 79.9 | Confident | 89.6 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -130.7 | -5.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T129 F130 K135 | T129-A133 WeakPolarHBondContact O-CB 3.5Å; T129-A133 PolarHBondContact O-N 3.03Å; F130-A133 PolarHBondContact O-N 3.21Å; A133-K135 HydrophobicContact CB-CB 4.47Å; A133-K135 PolarHBondContact O-N 2.9Å |
| 134 | G | 81.3 | Confident | 89.6 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 45% | 0.454 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 65.6 | 16.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F130 | F130-G134 WeakPolarHBondContact O-CA 3.44Å; F130-G134 PolarHBondContact O-N 2.93Å |
| 135 | K | 84.2 | Confident | 89.5 | Confident | 74 Ų | 74 | 49.6 Ų | 49.6 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | trans | -118.7 | 108.5 | -175 | -68 | -170.5 | 177.7 | -164.5 | 0 | 111.2 | A34 F130 A133 | A34-K135 HydrophobicContact CB-CG 4.5Å; F130-K135 WeakPolarHBondContact CA-O 3.3Å; A133-K135 HydrophobicContact CB-CB 4.47Å; A133-K135 PolarHBondContact O-N 2.9Å | ||
| 136 | L | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -96.1 | 127 | 173.3 | -169.4 | 66.7 | 0 | 0 | 0 | 109.5 | T126 F130 F147 L151 I156 H160 L161 D162 | T126-L136 HydrophobicContact CG2-CD1 4.41Å; F130-L136 HydrophobicContact CB-CB 4.01Å; F130-L136 HydrophobicContact CB-CD1 3.74Å; F130-L136 HydrophobicContact CB-CG 4.47Å; F130-L136 HydrophobicContact CD2-CB 3.75Å; F130-L136 HydrophobicContact CG-CB 4.05Å; F130-L136 HydrophobicContact CG-CD1 4.22Å; L136-F147 HydrophobicContact CD1-CZ 4.34Å; L136-L151 HydrophobicContact CD1-CD2 4.2Å; L136-L151 HydrophobicContact CD2-CD1 4.4Å; L136-L151 HydrophobicContact CD2-CD2 3.81Å; L136-I156 HydrophobicContact CD2-CG2 3.86Å; L136-H160 HydrophobicContact CB-CB 4.35Å; L136-H160 WeakPolarHBondContact CB-O 3.37Å; L136-H160 HydrophobicContact CD2-CB 4.07Å; L136-L161 HydrophobicContact CB-CD2 4.45Å; L136-L161 HydrophobicContact CD2-CD2 3.97Å; L136-L161 HydrophobicContact CD2-CG 3.97Å; L136-L161 HydrophobicContact CG-CD2 3.82Å; L136-L161 HydrophobicContact CG-CG 4.34Å; L136-D162 PolarHBondContact O-N 3.32Å |
| 137 | R | 92.9 | Very high | 89.8 | Confident | 115 Ų | 115 | 49.2 Ų | 49.2 | 43% | 0.434 | 25% | 0.251 | S | S | . | . | trans | -118.5 | 157.6 | 176.7 | -59.1 | -69.6 | -72.2 | -170.1 | 2.1 | 108.3 | T126 F147 D162 C164 C165 | T126-R137 HydrophobicContact CG2-CB 4.37Å; T126-R137 WeakPolarHBondContact CG2-O 3.4Å; R137-F147 WeakPolarHBondContact O-CZ 3.4Å; R137-D162 WeakPolarHBondContact CD-OD2 3.47Å; R137-D162 IonicContact CZ-OD2 3.04Å; R137-D162 IonicContact NE-OD2 3.27Å; R137-D162 IonicContact NH1-OD2 2.93Å; R137-D162 PolarHBondContact NH1-OD2 2.94Å; R137-C164 PolarHBondContact NH1-SG 3.32Å; R137-C164 VanDerWaalsContact NH1-SG 3.38Å; R137-C164 PolarHBondContact NH2-SG 3.09Å; R137-C165 PolarHBondContact NE-SG 2.8Å; R137-C165 VanDerWaalsContact NE-SG 3.42Å | ||
| 138 | L | 93.4 | Very high | 90 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | trans | -80.6 | 129.7 | 171.1 | 179.6 | 61.6 | 0 | 0 | 0 | 109.5 | R140 F147 C165 R168 Y169 | L138-R140 PolarHBondContact O-N 3.46Å; L138-F147 HydrophobicContact CD1-CB 4.18Å; L138-F147 HydrophobicContact CD1-CD1 3.41Å; L138-F147 VanDerWaalsContact CD1-CD1 3.41Å; L138-F147 HydrophobicContact CD1-CE1 3.9Å; L138-F147 HydrophobicContact CD1-CG 3.84Å; L138-C165 HydrophobicContact CB-CB 3.9Å; L138-C165 PolarHBondContact N-SG 3.16Å; L138-C165 VanDerWaalsContact N-SG 3.4Å; L138-R168 HydrophobicContact CD2-CB 4.43Å; L138-R168 HydrophobicContact CD2-CG 4.4Å; L138-R168 VanDerWaalsContact CD2-NH2 3.29Å; L138-Y169 HydrophobicContact CD1-CD2 4.2Å | ||
| 139 | L | 92.3 | Very high | 90.3 | Very high | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | trans | -70.9 | 120.5 | 175.2 | -178.3 | 60.1 | 0 | 0 | 0 | 109.9 | E141 M142 F147 | L139-E141 PolarHBondContact O-N 3.43Å; L139-M142 HydrophobicContact CB-CB 4.14Å; L139-M142 HydrophobicContact CD2-CB 3.82Å; L139-M142 HydrophobicContact CD2-CE 4.39Å; L139-M142 HydrophobicContact CD2-SD 4.18Å; L139-M142 HydrophobicContact CG-CB 3.98Å; L139-M142 PolarHBondContact O-N 3.22Å; L139-F147 HydrophobicContact CB-CD2 4.42Å; L139-F147 HydrophobicContact CB-CE2 4.45Å | ||
| 140 | R | 85.5 | Confident | 90.7 | Very high | 200 Ų | 200 | 54.2 Ų | 54.2 | 76% | 0.755 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -32.9 | -168.7 | -165.5 | 175.3 | 79.9 | 173.1 | 4.8 | 114.4 | L138 M142 | L138-R140 PolarHBondContact O-N 3.46Å; R140-M142 VanDerWaalsContact C-N 3.33Å |
| 141 | E | 88.4 | Confident | 91 | Very high | 180 Ų | 180 | 54 Ų | 54 | 84% | 0.841 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 1.1 | -175 | -63.7 | 176.1 | -175.9 | 0 | 0 | 112.9 | L139 | L139-E141 PolarHBondContact O-N 3.43Š|
| 142 | M | 92.8 | Very high | 91.6 | Very high | 28 Ų | 28 | 59.9 Ų | 59.9 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -108.8 | 142 | -178.6 | 175.3 | 170.8 | -87.5 | 0 | 0 | 110.9 | N120 A123 L139 R140 F147 | N120-M142 HydrophobicContact CB-CE 4.07Å; N120-M142 VanDerWaalsContact CG-CE 3.44Å; N120-M142 WeakPolarHBondContact ND2-CE 3.27Å; A123-M142 HydrophobicContact CB-CE 3.81Å; A123-M142 HydrophobicContact CB-SD 3.84Å; L139-M142 HydrophobicContact CB-CB 4.14Å; L139-M142 HydrophobicContact CD2-CB 3.82Å; L139-M142 HydrophobicContact CD2-CE 4.39Å; L139-M142 HydrophobicContact CD2-SD 4.18Å; L139-M142 HydrophobicContact CG-CB 3.98Å; L139-M142 PolarHBondContact O-N 3.22Å; R140-M142 VanDerWaalsContact C-N 3.33Å; M142-F147 HydrophobicContact CG-CB 4.14Å; M142-F147 HydrophobicContact SD-CB 3.91Å; M142-F147 HydrophobicContact SD-CD2 3.87Å; M142-F147 HydrophobicContact SD-CG 4.4Å |
| 143 | C | 94 | Very high | 92.4 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | trans | -59.6 | 142 | 171.6 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | L145 S146 F147 | C143-L145 VanDerWaalsContact C-N 3.31Å; C143-L145 PolarHBondContact O-N 2.75Å; C143-S146 PolarHBondContact O-N 3.07Å; C143-F147 PolarHBondContact O-N 2.81Å | ||
| 144 | A | 94.9 | Very high | 93.2 | Very high | 10 Ų | 10 | 58 Ų | 58 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61 | -38.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F147 Q148 Y169 K172 I173 | A144-F147 PolarHBondContact O-N 3.06Å; A144-Q148 PolarHBondContact O-N 3.39Å; A144-Y169 HydrophobicContact CB-CD2 4.18Å; A144-Y169 HydrophobicContact CB-CE2 4.44Å; A144-Y169 WeakPolarHBondContact O-CE2 3.47Å; A144-K172 HydrophobicContact CB-CB 3.52Å; A144-K172 HydrophobicContact CB-CG 4.38Å; A144-I173 HydrophobicContact CB-CD1 4.17Å |
| 145 | L | 94.7 | Very high | 93.9 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 176.5 | -60.4 | 171.7 | 0 | 0 | 0 | 111.8 | C143 F147 Q148 E149 I173 F176 | C143-L145 VanDerWaalsContact C-N 3.31Å; C143-L145 PolarHBondContact O-N 2.75Å; L145-F147 PolarHBondContact O-N 3.01Å; L145-Q148 WeakPolarHBondContact O-CA 3.31Å; L145-Q148 VanDerWaalsContact O-CB 3.23Å; L145-Q148 WeakPolarHBondContact O-CB 3.41Å; L145-Q148 PolarHBondContact O-N 2.95Å; L145-E149 PolarHBondContact O-N 3.13Å; L145-I173 HydrophobicContact CD2-CD1 3.71Å; L145-F176 HydrophobicContact CD1-CB 4.48Å; L145-F176 HydrophobicContact CD1-CD1 3.64Å; L145-F176 HydrophobicContact CD1-CD2 3.63Å; L145-F176 HydrophobicContact CD1-CE1 3.61Å; L145-F176 HydrophobicContact CD1-CE2 3.61Å; L145-F176 HydrophobicContact CD1-CG 3.63Å; L145-F176 HydrophobicContact CD1-CZ 3.6Å; L145-F176 HydrophobicContact CD2-CD1 3.68Å; L145-F176 HydrophobicContact CD2-CE1 4.1Å; L145-F176 HydrophobicContact CD2-CG 4.13Å; L145-F176 HydrophobicContact CG-CD1 4.22Å; L145-F176 HydrophobicContact CG-CG 4.29Å |
| 146 | S | 96.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 54.7 Ų | 54.7 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -36.8 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | C143 E149 E150 | C143-S146 PolarHBondContact O-N 3.07Å; S146-E149 PolarHBondContact O-N 3.16Å; S146-E150 WeakPolarHBondContact O-CG 3.44Å; S146-E150 PolarHBondContact O-N 2.8Å; S146-E150 VanDerWaalsContact O-N 3.16Å |
| 147 | F | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 173.7 | -169.7 | -110.1 | 0 | 0 | 0 | 112.4 | T126 L136 R137 L138 L139 M142 C143 A144 L145 E150 L151 L161 Y169 | T126-F147 HydrophobicContact CG2-CZ 4.47Å; L136-F147 HydrophobicContact CD1-CZ 4.34Å; R137-F147 WeakPolarHBondContact O-CZ 3.4Å; L138-F147 HydrophobicContact CD1-CB 4.18Å; L138-F147 HydrophobicContact CD1-CD1 3.41Å; L138-F147 VanDerWaalsContact CD1-CD1 3.41Å; L138-F147 HydrophobicContact CD1-CE1 3.9Å; L138-F147 HydrophobicContact CD1-CG 3.84Å; L139-F147 HydrophobicContact CB-CD2 4.42Å; L139-F147 HydrophobicContact CB-CE2 4.45Å; M142-F147 HydrophobicContact CG-CB 4.14Å; M142-F147 HydrophobicContact SD-CB 3.91Å; M142-F147 HydrophobicContact SD-CD2 3.87Å; M142-F147 HydrophobicContact SD-CG 4.4Å; C143-F147 PolarHBondContact O-N 2.81Å; A144-F147 PolarHBondContact O-N 3.06Å; L145-F147 PolarHBondContact O-N 3.01Å; F147-E150 PolarHBondContact O-N 2.9Å; F147-L151 HydrophobicContact CD1-CD1 4.02Å; F147-L151 HydrophobicContact CD1-CG 4.15Å; F147-L151 HydrophobicContact CE1-CD1 3.72Å; F147-L151 HydrophobicContact CE1-CD2 4.01Å; F147-L151 HydrophobicContact CE1-CG 3.88Å; F147-L151 HydrophobicContact CZ-CD1 4.47Å; F147-L151 HydrophobicContact CZ-CD2 3.93Å; F147-L151 HydrophobicContact CZ-CG 4.25Å; F147-L151 WeakPolarHBondContact O-CG 3.31Å; F147-L151 PolarHBondContact O-N 3.38Å; F147-L161 HydrophobicContact CE1-CD2 4.12Å; F147-Y169 HydrophobicContact CD1-CD2 4.42Å; F147-Y169 HydrophobicContact CD1-CE2 4.46Å |
| 148 | Q | 96.3 | Very high | 94.4 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 173.3 | -175.3 | 173.7 | 49.6 | 0 | 0 | 111.4 | A144 L145 E150 L151 L152 Y169 | A144-Q148 PolarHBondContact O-N 3.39Å; L145-Q148 WeakPolarHBondContact O-CA 3.31Å; L145-Q148 VanDerWaalsContact O-CB 3.23Å; L145-Q148 WeakPolarHBondContact O-CB 3.41Å; L145-Q148 PolarHBondContact O-N 2.95Å; Q148-E150 VanDerWaalsContact C-N 3.26Å; Q148-E150 PolarHBondContact O-N 3.11Å; Q148-L151 PolarHBondContact O-N 3.32Å; Q148-L151 VanDerWaalsContact O-N 3.13Å; Q148-L152 HydrophobicContact CG-CD1 4.11Å; Q148-L152 HydrophobicContact CG-CG 4.46Å; Q148-L152 WeakPolarHBondContact O-CG 3.09Å; Q148-L152 PolarHBondContact O-N 2.85Å; Q148-Y169 HydrophobicContact CB-CE2 4.16Å; Q148-Y169 WeakPolarHBondContact CB-OH 3.34Å; Q148-Y169 VanDerWaalsContact CD-OH 3.25Å; Q148-Y169 WeakPolarHBondContact CG-OH 3.44Å; Q148-Y169 PolarHBondContact NE2-OH 3.39Å; Q148-Y169 VanDerWaalsContact NE2-OH 3.1Å |
| 149 | E | 97.1 | Very high | 94.3 | Very high | 111 Ų | 111 | 59.2 Ų | 59.2 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 176.9 | -69.5 | 171.4 | -172.1 | 0 | 0 | 111.6 | L145 S146 L152 Y153 | L145-E149 PolarHBondContact O-N 3.13Å; S146-E149 PolarHBondContact O-N 3.16Å; E149-L152 PolarHBondContact O-N 3.15Å; E149-Y153 VanDerWaalsContact O-CB 3.3Å; E149-Y153 WeakPolarHBondContact O-CB 3.45Å; E149-Y153 PolarHBondContact O-N 2.87Å |
| 150 | E | 97.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 2% | 0.023 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 174.1 | -69.3 | -69.3 | 140 | 0 | 0 | 110.9 | R119 A123 I127 S146 F147 Q148 L152 Y153 W154 | R119-E150 IonicContact CZ-OE1 2.65Å; R119-E150 VanDerWaalsContact CZ-OE1 3.27Å; R119-E150 IonicContact NE-OE1 3.81Å; R119-E150 PolarHBondContact NE-OE1 2.79Å; R119-E150 IonicContact NH2-OE1 3.76Å; R119-E150 PolarHBondContact NH2-OE1 2.88Å; A123-E150 HydrophobicContact CB-CB 3.93Å; A123-E150 HydrophobicContact CB-CG 3.55Å; I127-E150 HydrophobicContact CD1-CB 4.44Å; S146-E150 WeakPolarHBondContact O-CG 3.44Å; S146-E150 PolarHBondContact O-N 2.8Å; S146-E150 VanDerWaalsContact O-N 3.16Å; F147-E150 PolarHBondContact O-N 2.9Å; Q148-E150 VanDerWaalsContact C-N 3.26Å; Q148-E150 PolarHBondContact O-N 3.11Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 3.08Å; E150-Y153 PolarHBondContact O-N 3.09Å; E150-Y153 VanDerWaalsContact O-N 3.14Å; E150-W154 PolarHBondContact O-N 3.06Å; E150-W154 PolarHBondContact OE2-NE1 3.49Å |
| 151 | L | 96 | Very high | 94.5 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.6 | -43.7 | 177.2 | -70.1 | -173.5 | 0 | 0 | 0 | 112.4 | L136 F147 Q148 W154 G155 I156 E158 | L136-L151 HydrophobicContact CD1-CD2 4.2Å; L136-L151 HydrophobicContact CD2-CD1 4.4Å; L136-L151 HydrophobicContact CD2-CD2 3.81Å; F147-L151 HydrophobicContact CD1-CD1 4.02Å; F147-L151 HydrophobicContact CD1-CG 4.15Å; F147-L151 HydrophobicContact CE1-CD1 3.72Å; F147-L151 HydrophobicContact CE1-CD2 4.01Å; F147-L151 HydrophobicContact CE1-CG 3.88Å; F147-L151 HydrophobicContact CZ-CD1 4.47Å; F147-L151 HydrophobicContact CZ-CD2 3.93Å; F147-L151 HydrophobicContact CZ-CG 4.25Å; F147-L151 WeakPolarHBondContact O-CG 3.31Å; F147-L151 PolarHBondContact O-N 3.38Å; Q148-L151 PolarHBondContact O-N 3.32Å; Q148-L151 VanDerWaalsContact O-N 3.13Å; L151-W154 PolarHBondContact O-N 3.4Å; L151-G155 PolarHBondContact O-N 2.91Å; L151-I156 WeakPolarHBondContact CB-O 3.43Å; L151-I156 HydrophobicContact CD2-CB 4.23Å; L151-I156 HydrophobicContact CD2-CG2 4.15Å; L151-I156 PolarHBondContact O-N 3.29Å; L151-E158 HydrophobicContact CD1-CB 4.29Å |
| 152 | L | 97.3 | Very high | 94.6 | Very high | 129 Ų | 129 | 45.6 Ų | 45.6 | 68% | 0.675 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.6 | -48.4 | 175.3 | -70.5 | 171.9 | 0 | 0 | 0 | 111.5 | Q148 E149 E150 W154 G155 | Q148-L152 HydrophobicContact CG-CD1 4.11Å; Q148-L152 HydrophobicContact CG-CG 4.46Å; Q148-L152 WeakPolarHBondContact O-CG 3.09Å; Q148-L152 PolarHBondContact O-N 2.85Å; E149-L152 PolarHBondContact O-N 3.15Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 3.08Å; L152-W154 VanDerWaalsContact C-N 3.31Å; L152-W154 PolarHBondContact O-N 3.36Å; L152-G155 PolarHBondContact O-N 2.86Å; L152-G155 VanDerWaalsContact O-N 3.09Å |
| 153 | Y | 97.9 | Very high | 94.5 | Very high | 38 Ų | 38 | 46.6 Ų | 46.6 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.9 | -45.7 | 178.7 | 177.9 | -91.3 | 0 | 0 | 0 | 111.8 | R88 F117 R119 E149 E150 G155 | R88-Y153 VanDerWaalsContact CD-CE1 3.42Å; R88-Y153 WeakPolarHBondContact CD-O 3.33Å; R88-Y153 PolarHBondContact NE-O 3.33Å; F117-Y153 HydrophobicContact CD1-CE1 4.17Å; F117-Y153 WeakPolarHBondContact CD1-OH 3.48Å; R119-Y153 HydrophobicContact CG-CD1 3.93Å; R119-Y153 HydrophobicContact CG-CE1 3.45Å; R119-Y153 VanDerWaalsContact CG-CE1 3.45Å; R119-Y153 HydrophobicContact CG-CE2 4.23Å; R119-Y153 HydrophobicContact CG-CG 4.5Å; E149-Y153 VanDerWaalsContact O-CB 3.3Å; E149-Y153 WeakPolarHBondContact O-CB 3.45Å; E149-Y153 PolarHBondContact O-N 2.87Å; E150-Y153 PolarHBondContact O-N 3.09Å; E150-Y153 VanDerWaalsContact O-N 3.14Å; Y153-G155 VanDerWaalsContact C-N 3.25Å; Y153-G155 PolarHBondContact O-N 3.14Å |
| 154 | W | 97 | Very high | 94.4 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -80.2 | -5.3 | -178.5 | -64.6 | 105.2 | 0 | 0 | 0 | 113.4 | V69 T87 R88 L89 F117 R119 F124 I127 E150 L151 L152 I156 | V69-W154 HydrophobicContact CG1-CZ2 4.09Å; V69-W154 HydrophobicContact CG2-CH2 3.9Å; V69-W154 HydrophobicContact CG2-CZ2 4.18Å; T87-W154 WeakPolarHBondContact CA-O 3.47Å; T87-W154 WeakPolarHBondContact CB-O 3.48Å; R88-W154 HydrophobicContact CB-CE3 4.47Å; R88-W154 PolarHBondContact N-O 3.09Å; L89-W154 HydrophobicContact CD1-CZ3 4.43Å; L89-W154 HydrophobicContact CD2-CE3 4.37Å; L89-W154 HydrophobicContact CD2-CZ3 3.71Å; L89-W154 HydrophobicContact CG-CE3 4.05Å; L89-W154 HydrophobicContact CG-CZ3 3.87Å; F117-W154 HydrophobicContact CB-CH2 3.89Å; F117-W154 HydrophobicContact CB-CZ2 4.46Å; F117-W154 AromaticContact CD1-CH2 3.75Å; F117-W154 HydrophobicContact CD1-CH2 3.75Å; F117-W154 AromaticContact CD1-CZ3 3.93Å; F117-W154 HydrophobicContact CD1-CZ3 3.93Å; F117-W154 HydrophobicContact CD2-CH2 4.13Å; F117-W154 HydrophobicContact CE1-CH2 4.3Å; F117-W154 HydrophobicContact CE1-CZ3 4.03Å; F117-W154 AromaticContact CG-CH2 3.65Å; F117-W154 HydrophobicContact CG-CH2 3.65Å; F117-W154 HydrophobicContact CG-CZ3 4.19Å; F117-W154 HydrophobicContact CZ-CZ3 4.39Å; R119-W154 HydrophobicContact CB-CZ2 4.05Å; R119-W154 HydrophobicContact CG-CZ2 4.17Å; F124-W154 HydrophobicContact CB-CZ2 4.47Å; F124-W154 HydrophobicContact CD2-CD2 4.13Å; F124-W154 AromaticContact CD2-CE2 3.65Å; F124-W154 HydrophobicContact CD2-CE3 4.33Å; F124-W154 AromaticContact CD2-CH2 3.64Å; F124-W154 HydrophobicContact CD2-CH2 3.64Å; F124-W154 AromaticContact CD2-CZ2 3.39Å; F124-W154 HydrophobicContact CD2-CZ2 3.39Å; F124-W154 HydrophobicContact CD2-CZ3 4.11Å; F124-W154 HydrophobicContact CE2-CD2 4.37Å; F124-W154 HydrophobicContact CE2-CE3 4.13Å; F124-W154 AromaticContact CE2-CH2 3.66Å; F124-W154 HydrophobicContact CE2-CH2 3.66Å; F124-W154 AromaticContact CE2-CZ2 3.92Å; F124-W154 HydrophobicContact CE2-CZ2 3.92Å; F124-W154 AromaticContact CE2-CZ3 3.78Å; F124-W154 HydrophobicContact CE2-CZ3 3.78Å; F124-W154 HydrophobicContact CG-CZ2 4.21Å; I127-W154 HydrophobicContact CD1-CB 4.01Å; I127-W154 HydrophobicContact CD1-CD2 4.41Å; I127-W154 HydrophobicContact CD1-CG 3.55Å; I127-W154 HydrophobicContact CG2-CB 4.41Å; I127-W154 HydrophobicContact CG2-CG 4.33Å; E150-W154 PolarHBondContact O-N 3.06Å; E150-W154 PolarHBondContact OE2-NE1 3.49Å; L151-W154 PolarHBondContact O-N 3.4Å; L152-W154 VanDerWaalsContact C-N 3.31Å; L152-W154 PolarHBondContact O-N 3.36Å; W154-I156 HydrophobicContact CB-CD1 4.1Å; W154-I156 HydrophobicContact CB-CG1 4.36Å |
| 155 | G | 95.8 | Very high | 94.4 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 38 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L151 L152 Y153 | L151-G155 PolarHBondContact O-N 2.91Å; L152-G155 PolarHBondContact O-N 2.86Å; L152-G155 VanDerWaalsContact O-N 3.09Å; Y153-G155 VanDerWaalsContact C-N 3.25Å; Y153-G155 PolarHBondContact O-N 3.14Å |
| 156 | I | 94.7 | Very high | 94.4 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.046 | 27% | 0.272 | C | S | . | . | trans | -113.2 | 118.2 | -178.7 | -63.1 | 170.3 | 0 | 0 | 0 | 108.9 | T87 I127 F130 L136 L151 W154 | T87-I156 HydrophobicContact CG2-CG1 3.96Å; I127-I156 HydrophobicContact CB-CD1 4.27Å; I127-I156 HydrophobicContact CG1-CD1 4.2Å; I127-I156 HydrophobicContact CG2-CD1 3.45Å; I127-I156 VanDerWaalsContact CG2-CD1 3.45Å; F130-I156 HydrophobicContact CD1-CD1 3.89Å; F130-I156 HydrophobicContact CD1-CG1 4.44Å; F130-I156 HydrophobicContact CD1-CG2 4.18Å; F130-I156 HydrophobicContact CE1-CD1 4.19Å; F130-I156 HydrophobicContact CE1-CG1 4.24Å; F130-I156 HydrophobicContact CE1-CG2 3.89Å; F130-I156 HydrophobicContact CZ-CG2 4.4Å; L136-I156 HydrophobicContact CD2-CG2 3.86Å; L151-I156 WeakPolarHBondContact CB-O 3.43Å; L151-I156 HydrophobicContact CD2-CB 4.23Å; L151-I156 HydrophobicContact CD2-CG2 4.15Å; L151-I156 PolarHBondContact O-N 3.29Å; W154-I156 HydrophobicContact CB-CD1 4.1Å; W154-I156 HydrophobicContact CB-CG1 4.36Å | ||
| 157 | A | 92.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | trans | -66.3 | 138.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D159 H160 | A157-D159 PolarHBondContact O-N 3.47Å; A157-D159 VanDerWaalsContact O-N 3.16Å; A157-H160 WeakPolarHBondContact O-CB 3.42Å; A157-H160 PolarHBondContact O-N 2.93Å; A157-H160 VanDerWaalsContact O-N 3.13Å; A157-H160 PolarHBondContact O-ND1 3.35Å | ||
| 158 | E | 92.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 59.3 Ų | 59.3 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -59.5 | -21 | 175 | 58.4 | -176.5 | -129.1 | 0 | 0 | 113.7 | L151 H160 L161 Y169 | L151-E158 HydrophobicContact CD1-CB 4.29Å; E158-H160 PolarHBondContact O-N 3.47Å; E158-H160 VanDerWaalsContact O-N 3.11Å; E158-L161 HydrophobicContact CB-CD1 4.28Å; E158-L161 WeakPolarHBondContact O-CB 3.39Å; E158-L161 WeakPolarHBondContact O-CD1 3.45Å; E158-L161 WeakPolarHBondContact O-CG 3.47Å; E158-L161 PolarHBondContact O-N 2.87Å; E158-Y169 HydrophobicContact CB-CE1 4.05Å; E158-Y169 WeakPolarHBondContact OE2-CE1 2.98Å; E158-Y169 PolarHBondContact OE2-OH 2.89Å |
| 159 | D | 90.5 | Very high | 94.2 | Very high | 113 Ų | 113 | 56.7 Ų | 56.7 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -59.4 | -21 | 173.9 | -77.2 | -24.9 | 0 | 0 | 0 | 113.9 | A157 L161 K166 | A157-D159 PolarHBondContact O-N 3.47Å; A157-D159 VanDerWaalsContact O-N 3.16Å; D159-L161 PolarHBondContact O-N 3Å; D159-K166 IonicContact OD1-NZ 3.88Å; D159-K166 PolarHBondContact OD1-NZ 3.13Å |
| 160 | H | 90.4 | Very high | 94.1 | Very high | 97 Ų | 97 | 54.8 Ų | 54.8 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -75 | -9.4 | 175 | -61.5 | 105.6 | 0 | 0 | 0 | 113.5 | F130 L136 A157 E158 D162 | F130-H160 HydrophobicContact CD2-CB 4.37Å; F130-H160 HydrophobicContact CE2-CB 3.65Å; F130-H160 AromaticContact CE2-CD2 3.93Å; F130-H160 AromaticContact CE2-CG 3.84Å; F130-H160 HydrophobicContact CZ-CB 3.93Å; F130-H160 AromaticContact CZ-CD2 3.77Å; F130-H160 AromaticContact CZ-CG 3.68Å; L136-H160 HydrophobicContact CB-CB 4.35Å; L136-H160 WeakPolarHBondContact CB-O 3.37Å; L136-H160 HydrophobicContact CD2-CB 4.07Å; A157-H160 WeakPolarHBondContact O-CB 3.42Å; A157-H160 PolarHBondContact O-N 2.93Å; A157-H160 VanDerWaalsContact O-N 3.13Å; A157-H160 PolarHBondContact O-ND1 3.35Å; E158-H160 PolarHBondContact O-N 3.47Å; E158-H160 VanDerWaalsContact O-N 3.11Å; H160-D162 PolarHBondContact O-N 2.95Å |
| 161 | L | 92.7 | Very high | 94 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -63.3 | 133.4 | 176.4 | -75.9 | 165.6 | 0 | 0 | 0 | 111.3 | L136 F147 E158 D159 C165 K166 Y169 | L136-L161 HydrophobicContact CB-CD2 4.45Å; L136-L161 HydrophobicContact CD2-CD2 3.97Å; L136-L161 HydrophobicContact CD2-CG 3.97Å; L136-L161 HydrophobicContact CG-CD2 3.82Å; L136-L161 HydrophobicContact CG-CG 4.34Å; F147-L161 HydrophobicContact CE1-CD2 4.12Å; E158-L161 HydrophobicContact CB-CD1 4.28Å; E158-L161 WeakPolarHBondContact O-CB 3.39Å; E158-L161 WeakPolarHBondContact O-CD1 3.45Å; E158-L161 WeakPolarHBondContact O-CG 3.47Å; E158-L161 PolarHBondContact O-N 2.87Å; D159-L161 PolarHBondContact O-N 3Å; L161-C165 HydrophobicContact CD2-CB 4.12Å; L161-K166 HydrophobicContact CB-CB 3.74Å; L161-K166 HydrophobicContact CB-CG 4.27Å; L161-Y169 HydrophobicContact CD1-CD1 3.81Å; L161-Y169 HydrophobicContact CD1-CD2 4.45Å; L161-Y169 HydrophobicContact CD1-CE1 4.46Å; L161-Y169 HydrophobicContact CD1-CG 3.8Å |
| 162 | D | 90.8 | Very high | 94 | Very high | 32 Ų | 32 | 64 Ų | 64 | 17% | 0.171 | 33% | 0.334 | C | S | . | . | trans | -54.6 | 142.5 | 168.6 | -93.7 | -24.9 | 0 | 0 | 0 | 110.7 | L136 R137 H160 C164 C165 K166 | L136-D162 PolarHBondContact O-N 3.32Å; R137-D162 WeakPolarHBondContact CD-OD2 3.47Å; R137-D162 IonicContact CZ-OD2 3.04Å; R137-D162 IonicContact NE-OD2 3.27Å; R137-D162 IonicContact NH1-OD2 2.93Å; R137-D162 PolarHBondContact NH1-OD2 2.94Å; H160-D162 PolarHBondContact O-N 2.95Å; D162-C164 VanDerWaalsContact C-N 3.32Å; D162-C164 PolarHBondContact O-N 3.32Å; D162-C165 CarbonylContact O-C 3.52Å; D162-C165 WeakPolarHBondContact O-CA 3.32Å; D162-C165 WeakPolarHBondContact O-CB 3.48Å; D162-C165 PolarHBondContact O-N 3.32Å; D162-K166 PolarHBondContact O-N 3.29Å | ||
| 163 | G | 90.2 | Very high | 93.9 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -50.9 | -41 | -170 | 0 | 0 | 0 | 0 | 0 | 116 | R167 | G163-R167 WeakPolarHBondContact O-CB 3.46Å; G163-R167 PolarHBondContact O-N 3.38Å |
| 164 | C | 91.9 | Very high | 93.9 | Very high | 77 Ų | 77 | 63.6 Ų | 63.6 | 52% | 0.52 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 176 | 66.2 | 0 | 0 | 0 | 0 | 112.8 | R137 D162 R168 | R137-C164 PolarHBondContact NH1-SG 3.32Å; R137-C164 VanDerWaalsContact NH1-SG 3.38Å; R137-C164 PolarHBondContact NH2-SG 3.09Å; D162-C164 VanDerWaalsContact C-N 3.32Å; D162-C164 PolarHBondContact O-N 3.32Å; C164-R168 PolarHBondContact O-N 3.44Å |
| 165 | C | 93.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 66.6 Ų | 66.6 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -74.8 | -40.9 | 177.3 | -68.5 | 0 | 0 | 0 | 0 | 110.9 | R137 L138 L161 D162 R168 Y169 | R137-C165 PolarHBondContact NE-SG 2.8Å; R137-C165 VanDerWaalsContact NE-SG 3.42Å; L138-C165 HydrophobicContact CB-CB 3.9Å; L138-C165 PolarHBondContact N-SG 3.16Å; L138-C165 VanDerWaalsContact N-SG 3.4Å; L161-C165 HydrophobicContact CD2-CB 4.12Å; D162-C165 CarbonylContact O-C 3.52Å; D162-C165 WeakPolarHBondContact O-CA 3.32Å; D162-C165 WeakPolarHBondContact O-CB 3.48Å; D162-C165 PolarHBondContact O-N 3.32Å; C165-R168 PolarHBondContact O-N 3.09Å; C165-Y169 WeakPolarHBondContact O-CB 3.36Å; C165-Y169 PolarHBondContact O-N 2.82Å |
| 166 | K | 94.8 | Very high | 93.7 | Very high | 58 Ų | 58 | 68.9 Ų | 68.9 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60 | -48.7 | 176.3 | -167.5 | 176.7 | -173 | 180 | 0 | 111.3 | D159 L161 D162 R168 Y169 L170 | D159-K166 IonicContact OD1-NZ 3.88Å; D159-K166 PolarHBondContact OD1-NZ 3.13Å; L161-K166 HydrophobicContact CB-CB 3.74Å; L161-K166 HydrophobicContact CB-CG 4.27Å; D162-K166 PolarHBondContact O-N 3.29Å; K166-R168 PolarHBondContact O-N 2.72Å; K166-Y169 WeakPolarHBondContact O-CB 3.46Å; K166-Y169 PolarHBondContact O-N 2.99Å; K166-L170 HydrophobicContact CG-CD1 4.03Å; K166-L170 HydrophobicContact CG-CG 4.37Å; K166-L170 WeakPolarHBondContact O-CG 3.14Å; K166-L170 PolarHBondContact O-N 2.92Å |
| 167 | R | 95.3 | Very high | 93.8 | Very high | 194 Ų | 194 | 70.4 Ų | 70.4 | 73% | 0.732 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -56.8 | -50.2 | 176.8 | -173.7 | -174.2 | -58.9 | 169.9 | 0.1 | 111.7 | G163 Y169 L170 Q171 | G163-R167 WeakPolarHBondContact O-CB 3.46Å; G163-R167 PolarHBondContact O-N 3.38Å; R167-Y169 VanDerWaalsContact C-N 3.3Å; R167-Y169 PolarHBondContact O-N 3.37Å; R167-L170 PolarHBondContact O-N 2.72Å; R167-Q171 WeakPolarHBondContact O-CB 3.48Å; R167-Q171 PolarHBondContact O-N 2.93Å |
| 168 | R | 94.4 | Very high | 94 | Very high | 98 Ų | 98 | 71.5 Ų | 71.5 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | -179.4 | -167.9 | 177.4 | 74.6 | 144.1 | 7.4 | 112.4 | L138 C164 C165 K166 K172 | L138-R168 HydrophobicContact CD2-CB 4.43Å; L138-R168 HydrophobicContact CD2-CG 4.4Å; L138-R168 VanDerWaalsContact CD2-NH2 3.29Å; C164-R168 PolarHBondContact O-N 3.44Å; C165-R168 PolarHBondContact O-N 3.09Å; K166-R168 PolarHBondContact O-N 2.72Å; R168-K172 WeakPolarHBondContact O-CG 3.42Å; R168-K172 PolarHBondContact O-N 2.84Å |
| 169 | Y | 95.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 73.1 Ų | 73.1 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64 | -55.8 | 175.9 | 170.9 | -100.1 | 0 | 0 | 0 | 110.7 | L138 A144 F147 Q148 E158 L161 C165 K166 R167 Q171 K172 I173 | L138-Y169 HydrophobicContact CD1-CD2 4.2Å; A144-Y169 HydrophobicContact CB-CD2 4.18Å; A144-Y169 HydrophobicContact CB-CE2 4.44Å; A144-Y169 WeakPolarHBondContact O-CE2 3.47Å; F147-Y169 HydrophobicContact CD1-CD2 4.42Å; F147-Y169 HydrophobicContact CD1-CE2 4.46Å; Q148-Y169 HydrophobicContact CB-CE2 4.16Å; Q148-Y169 WeakPolarHBondContact CB-OH 3.34Å; Q148-Y169 VanDerWaalsContact CD-OH 3.25Å; Q148-Y169 WeakPolarHBondContact CG-OH 3.44Å; Q148-Y169 PolarHBondContact NE2-OH 3.39Å; Q148-Y169 VanDerWaalsContact NE2-OH 3.1Å; E158-Y169 HydrophobicContact CB-CE1 4.05Å; E158-Y169 WeakPolarHBondContact OE2-CE1 2.98Å; E158-Y169 PolarHBondContact OE2-OH 2.89Å; L161-Y169 HydrophobicContact CD1-CD1 3.81Å; L161-Y169 HydrophobicContact CD1-CD2 4.45Å; L161-Y169 HydrophobicContact CD1-CE1 4.46Å; L161-Y169 HydrophobicContact CD1-CG 3.8Å; C165-Y169 WeakPolarHBondContact O-CB 3.36Å; C165-Y169 PolarHBondContact O-N 2.82Å; K166-Y169 WeakPolarHBondContact O-CB 3.46Å; K166-Y169 PolarHBondContact O-N 2.99Å; R167-Y169 VanDerWaalsContact C-N 3.3Å; R167-Y169 PolarHBondContact O-N 3.37Å; Y169-Q171 VanDerWaalsContact C-N 3.33Å; Y169-Q171 PolarHBondContact O-N 2.87Å; Y169-K172 WeakPolarHBondContact O-CB 3.36Å; Y169-K172 PolarHBondContact O-N 3.44Å; Y169-I173 HydrophobicContact CD1-CG1 4.38Å; Y169-I173 HydrophobicContact CD2-CG1 4.42Å; Y169-I173 HydrophobicContact CE1-CG1 3.96Å; Y169-I173 HydrophobicContact CE2-CD1 3.97Å; Y169-I173 HydrophobicContact CE2-CG1 4.01Å; Y169-I173 WeakPolarHBondContact O-CG1 3.46Å; Y169-I173 PolarHBondContact O-N 3.44Å |
| 170 | L | 95.4 | Very high | 94.2 | Very high | 70 Ų | 70 | 69.7 Ų | 69.7 | 37% | 0.366 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59 | -43.2 | -179.6 | -69.5 | 175.3 | 0 | 0 | 0 | 112.1 | K166 R167 K172 I173 E174 | K166-L170 HydrophobicContact CG-CD1 4.03Å; K166-L170 HydrophobicContact CG-CG 4.37Å; K166-L170 WeakPolarHBondContact O-CG 3.14Å; K166-L170 PolarHBondContact O-N 2.92Å; R167-L170 PolarHBondContact O-N 2.72Å; L170-K172 PolarHBondContact O-N 2.82Å; L170-I173 PolarHBondContact O-N 2.73Å; L170-I173 VanDerWaalsContact O-N 3.09Å; L170-E174 WeakPolarHBondContact O-CB 3.2Å; L170-E174 PolarHBondContact O-N 2.9Å |
| 171 | Q | 95.9 | Very high | 94.5 | Very high | 99 Ų | 99 | 70.7 Ų | 70.7 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.8 | -42.6 | 174.8 | -177.4 | -177.8 | -5.4 | 0 | 0 | 111.7 | R167 Y169 E175 | R167-Q171 WeakPolarHBondContact O-CB 3.48Å; R167-Q171 PolarHBondContact O-N 2.93Å; Y169-Q171 VanDerWaalsContact C-N 3.33Å; Y169-Q171 PolarHBondContact O-N 2.87Å; Q171-E175 HydrophobicContact CG-CG 4.47Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.35Å; Q171-E175 PolarHBondContact NE2-OE1 3.45Å; Q171-E175 WeakPolarHBondContact O-CB 3.46Å; Q171-E175 VanDerWaalsContact O-CG 3.22Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 3.38Å |
| 172 | K | 95.4 | Very high | 94.5 | Very high | 104 Ų | 104 | 76.7 Ų | 76.7 | 45% | 0.452 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.5 | -31.5 | 179.5 | -74.2 | -74.7 | 164.7 | -154.2 | 0 | 113.3 | A144 R168 Y169 L170 E175 F176 | A144-K172 HydrophobicContact CB-CB 3.52Å; A144-K172 HydrophobicContact CB-CG 4.38Å; R168-K172 WeakPolarHBondContact O-CG 3.42Å; R168-K172 PolarHBondContact O-N 2.84Å; Y169-K172 WeakPolarHBondContact O-CB 3.36Å; Y169-K172 PolarHBondContact O-N 3.44Å; L170-K172 PolarHBondContact O-N 2.82Å; K172-E175 WeakPolarHBondContact CD-OE2 3.24Å; K172-E175 WeakPolarHBondContact CE-OE2 3.15Å; K172-E175 IonicContact NZ-OE2 2.9Å; K172-E175 PolarHBondContact NZ-OE2 3Å; K172-F176 WeakPolarHBondContact O-CB 3.44Å; K172-F176 PolarHBondContact O-N 3.49Å |
| 173 | I | 95.7 | Very high | 94.6 | Very high | 35 Ų | 35 | 81.2 Ų | 81.2 | 18% | 0.179 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.2 | -44.4 | 174.9 | -61.4 | -60.3 | 0 | 0 | 0 | 110.1 | A144 L145 Y169 L170 F176 A177 | A144-I173 HydrophobicContact CB-CD1 4.17Å; L145-I173 HydrophobicContact CD2-CD1 3.71Å; Y169-I173 HydrophobicContact CD1-CG1 4.38Å; Y169-I173 HydrophobicContact CD2-CG1 4.42Å; Y169-I173 HydrophobicContact CE1-CG1 3.96Å; Y169-I173 HydrophobicContact CE2-CD1 3.97Å; Y169-I173 HydrophobicContact CE2-CG1 4.01Å; Y169-I173 WeakPolarHBondContact O-CG1 3.46Å; Y169-I173 PolarHBondContact O-N 3.44Å; L170-I173 PolarHBondContact O-N 2.73Å; L170-I173 VanDerWaalsContact O-N 3.09Å; I173-F176 PolarHBondContact O-N 2.82Å; I173-A177 PolarHBondContact O-N 3.4Å |
| 174 | E | 96.3 | Very high | 94.7 | Very high | 124 Ų | 124 | 85 Ų | 85 | 58% | 0.579 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.4 | -47 | 177.2 | -173.4 | 172.8 | -155.9 | 0 | 0 | 111.7 | L170 F176 A177 E178 | L170-E174 WeakPolarHBondContact O-CB 3.2Å; L170-E174 PolarHBondContact O-N 2.9Å; E174-F176 PolarHBondContact O-N 3.03Å; E174-A177 PolarHBondContact O-N 2.7Å; E174-A177 VanDerWaalsContact O-N 3.11Å; E174-E178 PolarHBondContact O-N 3.4Å |
| 175 | E | 95.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 87.3 Ų | 87.3 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54.4 | -38.9 | 173.4 | -78.4 | 170.7 | -166.6 | 0 | 0 | 112 | Q171 K172 M179 | Q171-E175 HydrophobicContact CG-CG 4.47Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.35Å; Q171-E175 PolarHBondContact NE2-OE1 3.45Å; Q171-E175 WeakPolarHBondContact O-CB 3.46Å; Q171-E175 VanDerWaalsContact O-CG 3.22Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 3.38Å; K172-E175 WeakPolarHBondContact CD-OE2 3.24Å; K172-E175 WeakPolarHBondContact CE-OE2 3.15Å; K172-E175 IonicContact NZ-OE2 2.9Å; K172-E175 PolarHBondContact NZ-OE2 3Å; E175-M179 WeakPolarHBondContact O-CG 3.45Å; E175-M179 PolarHBondContact O-N 3.11Å |
| 176 | F | 94.6 | Very high | 94.2 | Very high | 86 Ų | 86 | 91.9 Ų | 91.9 | 38% | 0.377 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72.4 | -43.3 | 176.8 | 179 | -100.5 | 0 | 0 | 0 | 112.5 | L145 K172 I173 E174 E178 M179 V180 | L145-F176 HydrophobicContact CD1-CB 4.48Å; L145-F176 HydrophobicContact CD1-CD1 3.64Å; L145-F176 HydrophobicContact CD1-CD2 3.63Å; L145-F176 HydrophobicContact CD1-CE1 3.61Å; L145-F176 HydrophobicContact CD1-CE2 3.61Å; L145-F176 HydrophobicContact CD1-CG 3.63Å; L145-F176 HydrophobicContact CD1-CZ 3.6Å; L145-F176 HydrophobicContact CD2-CD1 3.68Å; L145-F176 HydrophobicContact CD2-CE1 4.1Å; L145-F176 HydrophobicContact CD2-CG 4.13Å; L145-F176 HydrophobicContact CG-CD1 4.22Å; L145-F176 HydrophobicContact CG-CG 4.29Å; K172-F176 WeakPolarHBondContact O-CB 3.44Å; K172-F176 PolarHBondContact O-N 3.49Å; I173-F176 PolarHBondContact O-N 2.82Å; E174-F176 PolarHBondContact O-N 3.03Å; F176-E178 VanDerWaalsContact C-N 3.31Å; F176-E178 PolarHBondContact O-N 3.5Å; F176-M179 HydrophobicContact CB-CE 4.33Å; F176-M179 HydrophobicContact CD2-CE 4.05Å; F176-M179 PolarHBondContact O-N 3.31Å; F176-M179 VanDerWaalsContact O-N 3.11Å; F176-V180 HydrophobicContact CD1-CG2 4.11Å; F176-V180 HydrophobicContact CE1-CG2 3.6Å; F176-V180 HydrophobicContact CE2-CG2 4.07Å; F176-V180 HydrophobicContact CZ-CG2 3.58Å; F176-V180 WeakPolarHBondContact O-CG2 3.29Å; F176-V180 PolarHBondContact O-N 3.42Å |
| 177 | A | 95.4 | Very high | 93.7 | Very high | 42 Ų | 42 | 94.3 Ų | 94.3 | 35% | 0.347 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.8 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I173 E174 M179 V180 E181 | I173-A177 PolarHBondContact O-N 3.4Å; E174-A177 PolarHBondContact O-N 2.7Å; E174-A177 VanDerWaalsContact O-N 3.11Å; A177-M179 VanDerWaalsContact C-N 3.3Å; A177-M179 PolarHBondContact O-N 3.09Å; A177-V180 PolarHBondContact O-N 3.4Å; A177-E181 WeakPolarHBondContact O-CG 3.28Å; A177-E181 PolarHBondContact O-N 3.48Å |
| 178 | E | 96.1 | Very high | 93.2 | Very high | 74 Ų | 74 | 87.4 Ų | 87.4 | 35% | 0.346 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63 | -34 | 175.8 | -70.4 | -173.6 | -161.2 | 0 | 0 | 113.4 | E174 F176 R182 | E174-E178 PolarHBondContact O-N 3.4Å; F176-E178 VanDerWaalsContact C-N 3.31Å; F176-E178 PolarHBondContact O-N 3.5Å; E178-R182 WeakPolarHBondContact O-CB 3.34Å; E178-R182 VanDerWaalsContact O-CG 3.26Å; E178-R182 WeakPolarHBondContact O-CG 3.42Å; E178-R182 PolarHBondContact O-N 2.93Å; E178-R182 VanDerWaalsContact O-N 3.1Å; E178-R182 IonicContact OE2-CZ 2.7Å; E178-R182 IonicContact OE2-NH1 3.81Å; E178-R182 PolarHBondContact OE2-NH1 3.22Å; E178-R182 IonicContact OE2-NH2 2.72Å; E178-R182 PolarHBondContact OE2-NH2 3.13Å |
| 179 | M | 94.2 | Very high | 92.4 | Very high | 99 Ų | 99 | 88 Ų | 88 | 49% | 0.488 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 175.8 | -75 | -174.4 | -61.9 | 0 | 0 | 110.8 | E175 F176 A177 R182 E183 | E175-M179 WeakPolarHBondContact O-CG 3.45Å; E175-M179 PolarHBondContact O-N 3.11Å; F176-M179 HydrophobicContact CB-CE 4.33Å; F176-M179 HydrophobicContact CD2-CE 4.05Å; F176-M179 PolarHBondContact O-N 3.31Å; F176-M179 VanDerWaalsContact O-N 3.11Å; A177-M179 VanDerWaalsContact C-N 3.3Å; A177-M179 PolarHBondContact O-N 3.09Å; M179-R182 PolarHBondContact O-N 3.05Å; M179-E183 WeakPolarHBondContact O-CG 3.28Å; M179-E183 PolarHBondContact O-N 3.26Å |
| 180 | V | 94.3 | Very high | 91.3 | Very high | 42 Ų | 42 | 90.9 Ų | 90.9 | 26% | 0.255 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | F176 A177 R182 E183 E184 | F176-V180 HydrophobicContact CD1-CG2 4.11Å; F176-V180 HydrophobicContact CE1-CG2 3.6Å; F176-V180 HydrophobicContact CE2-CG2 4.07Å; F176-V180 HydrophobicContact CZ-CG2 3.58Å; F176-V180 WeakPolarHBondContact O-CG2 3.29Å; F176-V180 PolarHBondContact O-N 3.42Å; A177-V180 PolarHBondContact O-N 3.4Å; V180-R182 VanDerWaalsContact C-N 3.33Å; V180-R182 PolarHBondContact O-N 3.11Å; V180-E183 PolarHBondContact O-N 2.95Å; V180-E184 HydrophobicContact CG1-CG 4.35Å; V180-E184 WeakPolarHBondContact O-CB 3.39Å; V180-E184 WeakPolarHBondContact O-CG 3.37Å; V180-E184 PolarHBondContact O-N 3.3Å |
| 181 | E | 94.9 | Very high | 90 | Very high | 117 Ų | 117 | 90.5 Ų | 90.5 | 55% | 0.547 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 176.9 | -72.8 | 177.3 | 171.6 | 0 | 0 | 111.9 | A177 E184 E185 | A177-E181 WeakPolarHBondContact O-CG 3.28Å; A177-E181 PolarHBondContact O-N 3.48Å; E181-E184 PolarHBondContact O-N 3.26Å; E181-E185 WeakPolarHBondContact O-CB 3.22Å; E181-E185 WeakPolarHBondContact O-CG 3.29Å; E181-E185 PolarHBondContact O-N 3.41Å |
| 182 | R | 94.3 | Very high | 88.3 | Confident | 136 Ų | 136 | 91.8 Ų | 91.8 | 51% | 0.513 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 175.9 | -73.1 | 176.5 | -174 | 115.8 | 7.5 | 112.7 | E178 M179 V180 E184 E185 D186 | E178-R182 WeakPolarHBondContact O-CB 3.34Å; E178-R182 VanDerWaalsContact O-CG 3.26Å; E178-R182 WeakPolarHBondContact O-CG 3.42Å; E178-R182 PolarHBondContact O-N 2.93Å; E178-R182 VanDerWaalsContact O-N 3.1Å; E178-R182 IonicContact OE2-CZ 2.7Å; E178-R182 IonicContact OE2-NH1 3.81Å; E178-R182 PolarHBondContact OE2-NH1 3.22Å; E178-R182 IonicContact OE2-NH2 2.72Å; E178-R182 PolarHBondContact OE2-NH2 3.13Å; M179-R182 PolarHBondContact O-N 3.05Å; V180-R182 VanDerWaalsContact C-N 3.33Å; V180-R182 PolarHBondContact O-N 3.11Å; R182-E184 VanDerWaalsContact C-N 3.34Å; R182-E185 PolarHBondContact O-N 3.32Å; R182-D186 WeakPolarHBondContact O-CB 3.47Å; R182-D186 PolarHBondContact O-N 2.93Å |
| 183 | E | 91.9 | Very high | 86.5 | Confident | 126 Ų | 126 | 88.9 Ų | 88.9 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | 175.8 | -75 | 178.2 | 173.3 | 0 | 0 | 111.2 | M179 V180 D186 D187 | M179-E183 WeakPolarHBondContact O-CG 3.28Å; M179-E183 PolarHBondContact O-N 3.26Å; V180-E183 PolarHBondContact O-N 2.95Å; E183-D186 PolarHBondContact O-N 3.44Å; E183-D187 WeakPolarHBondContact O-CB 3.43Å; E183-D187 PolarHBondContact O-N 2.92Å |
| 184 | E | 92.1 | Very high | 84.4 | Confident | 128 Ų | 128 | 93.6 Ų | 93.6 | 60% | 0.598 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | 175.3 | -72.6 | 179.6 | -178.6 | 0 | 0 | 112.3 | V180 E181 R182 A188 | V180-E184 HydrophobicContact CG1-CG 4.35Å; V180-E184 WeakPolarHBondContact O-CB 3.39Å; V180-E184 WeakPolarHBondContact O-CG 3.37Å; V180-E184 PolarHBondContact O-N 3.3Å; E181-E184 PolarHBondContact O-N 3.26Å; R182-E184 VanDerWaalsContact C-N 3.34Å; E184-A188 VanDerWaalsContact O-CB 3.28Å; E184-A188 WeakPolarHBondContact O-CB 3.38Å; E184-A188 PolarHBondContact O-N 2.92Å |
| 185 | E | 90.6 | Very high | 82.2 | Confident | 126 Ų | 126 | 94 Ų | 94 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.8 | -45.6 | 173.9 | -76.1 | 178.4 | 175.7 | 0 | 0 | 112 | E181 R182 A188 L189 | E181-E185 WeakPolarHBondContact O-CB 3.22Å; E181-E185 WeakPolarHBondContact O-CG 3.29Å; E181-E185 PolarHBondContact O-N 3.41Å; R182-E185 PolarHBondContact O-N 3.32Å; E185-A188 PolarHBondContact O-N 2.95Å; E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 2.85Å |
| 186 | D | 85.8 | Confident | 79.9 | Confident | 107 Ų | 107 | 95.8 Ų | 95.8 | 57% | 0.572 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -43 | 177.6 | -78.3 | -17.2 | 0 | 0 | 0 | 111.3 | R182 E183 A188 L189 D190 | R182-D186 WeakPolarHBondContact O-CB 3.47Å; R182-D186 PolarHBondContact O-N 2.93Å; E183-D186 PolarHBondContact O-N 3.44Å; D186-A188 VanDerWaalsContact C-N 3.35Å; D186-L189 PolarHBondContact O-N 3.03Å; D186-D190 PolarHBondContact O-N 3.33Å; D186-D190 VanDerWaalsContact O-N 3.1Å |
| 187 | D | 84.6 | Confident | 77.6 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.3 | -37.1 | 175.4 | -84.9 | -17.8 | 0 | 0 | 0 | 112.1 | E183 D190 S191 | E183-D187 WeakPolarHBondContact O-CB 3.43Å; E183-D187 PolarHBondContact O-N 2.92Å; D187-D190 PolarHBondContact O-N 3.06Å; D187-S191 PolarHBondContact O-N 3.27Å; D187-S191 VanDerWaalsContact O-N 3.09Å |
| 188 | A | 83.1 | Confident | 75.4 | Confident | 50 Ų | 50 | 96.3 Ų | 96.3 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E184 E185 D186 D190 S191 E192 | E184-A188 VanDerWaalsContact O-CB 3.28Å; E184-A188 WeakPolarHBondContact O-CB 3.38Å; E184-A188 PolarHBondContact O-N 2.92Å; E185-A188 PolarHBondContact O-N 2.95Å; D186-A188 VanDerWaalsContact C-N 3.35Å; A188-D190 VanDerWaalsContact C-N 3.3Å; A188-D190 PolarHBondContact O-N 3.33Å; A188-S191 CarbonylContact O-C 3.56Å; A188-S191 PolarHBondContact O-N 2.9Å; A188-E192 WeakPolarHBondContact O-CG 3.39Å; A188-E192 PolarHBondContact O-N 3.04Å |
| 189 | L | 78.3 | Confident | 72.9 | Confident | 109 Ų | 109 | 98.6 Ų | 98.6 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.7 | -38.4 | 176.3 | -70 | 173.6 | 0 | 0 | 0 | 112 | E185 D186 S191 G193 | E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 2.85Å; D186-L189 PolarHBondContact O-N 3.03Å; L189-S191 VanDerWaalsContact C-N 3.29Å; L189-S191 PolarHBondContact O-N 3.35Å; L189-G193 PolarHBondContact O-N 3.22Å |
| 190 | D | 72.4 | Confident | 70.6 | Confident | 63 Ų | 63 | 96.1 Ų | 96.1 | 34% | 0.337 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -30.2 | 174.1 | -94.5 | 3.7 | 0 | 0 | 0 | 112.9 | D186 D187 A188 R219 | D186-D190 PolarHBondContact O-N 3.33Å; D186-D190 VanDerWaalsContact O-N 3.1Å; D187-D190 PolarHBondContact O-N 3.06Å; A188-D190 VanDerWaalsContact C-N 3.3Å; A188-D190 PolarHBondContact O-N 3.33Å; D190-R219 IonicContact OD2-CZ 3.42Å; D190-R219 IonicContact OD2-NH1 2.9Å; D190-R219 IonicContact OD2-NH2 2.59Å; D190-R219 PolarHBondContact OD2-NH2 3.1Å |
| 191 | S | 67.6 | Low | 68.4 | Low | 62 Ų | 62 | 104 Ų | 104 | 43% | 0.434 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -81.2 | -41.4 | 175.1 | -168.1 | 0 | 0 | 0 | 0 | 112.6 | D187 A188 L189 G193 R194 D195 | D187-S191 PolarHBondContact O-N 3.27Å; D187-S191 VanDerWaalsContact O-N 3.09Å; A188-S191 CarbonylContact O-C 3.56Å; A188-S191 PolarHBondContact O-N 2.9Å; L189-S191 VanDerWaalsContact C-N 3.29Å; L189-S191 PolarHBondContact O-N 3.35Å; S191-G193 VanDerWaalsContact C-N 3.3Å; S191-G193 PolarHBondContact O-N 3.04Å; S191-R194 WeakPolarHBondContact O-CA 3.39Å; S191-R194 VanDerWaalsContact O-CB 3.27Å; S191-R194 WeakPolarHBondContact O-CB 3.32Å; S191-R194 PolarHBondContact O-N 2.91Å; S191-D195 PolarHBondContact O-N 3.38Å |
| 192 | E | 62 | Low | 66.4 | Low | 125 Ų | 125 | 102 Ų | 102 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.3 | -32.4 | 176.1 | -70.2 | -159.9 | 122.5 | 0 | 0 | 111.7 | A188 R194 D195 S196 | A188-E192 WeakPolarHBondContact O-CG 3.39Å; A188-E192 PolarHBondContact O-N 3.04Å; E192-R194 PolarHBondContact O-N 3.29Å; E192-R194 VanDerWaalsContact O-N 3.16Å; E192-D195 PolarHBondContact O-N 2.96Å; E192-S196 VanDerWaalsContact O-CB 3.27Å; E192-S196 WeakPolarHBondContact O-CB 2.85Å; E192-S196 PolarHBondContact O-N 2.89Å |
| 193 | G | 55.8 | Low | 64.5 | Low | 44 Ų | 44 | 98.3 Ų | 98.3 | 45% | 0.454 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.4 | -13.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L189 S191 | L189-G193 PolarHBondContact O-N 3.22Å; S191-G193 VanDerWaalsContact C-N 3.3Å; S191-G193 PolarHBondContact O-N 3.04Å |
| 194 | R | 52.4 | Low | 63.1 | Low | 134 Ų | 134 | 94.6 Ų | 94.6 | 51% | 0.506 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -93.6 | -33.3 | 172 | -72 | 175.8 | 171.1 | -155.7 | -5.7 | 113.5 | S191 E192 D215 | S191-R194 WeakPolarHBondContact O-CA 3.39Å; S191-R194 VanDerWaalsContact O-CB 3.27Å; S191-R194 WeakPolarHBondContact O-CB 3.32Å; S191-R194 PolarHBondContact O-N 2.91Å; E192-R194 PolarHBondContact O-N 3.29Å; E192-R194 VanDerWaalsContact O-N 3.16Å; R194-D215 IonicContact NH2-OD1 3.75Å; R194-D215 PolarHBondContact NH2-OD1 3.2Å; R194-D215 VanDerWaalsContact NH2-OD1 3.07Å |
| 195 | D | 50.2 | Low | 61.8 | Low | 133 Ų | 133 | 98.9 Ų | 98.9 | 71% | 0.711 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -103.7 | -25.8 | -172 | -70.7 | -24 | 0 | 0 | 0 | 114.5 | S191 E192 | S191-D195 PolarHBondContact O-N 3.38Å; E192-D195 PolarHBondContact O-N 2.96Å |
| 196 | S | 46.8 | Very low | 60.9 | Low | 100 Ų | 100 | 99.3 Ų | 99.3 | 70% | 0.699 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -86.8 | -5.7 | -175.4 | -140.1 | 0 | 0 | 0 | 0 | 114.6 | E192 | E192-S196 VanDerWaalsContact O-CB 3.27Å; E192-S196 WeakPolarHBondContact O-CB 2.85Å; E192-S196 PolarHBondContact O-N 2.89Å |
| 197 | E | 47.7 | Very low | 60.2 | Low | 87 Ų | 87 | 95.4 Ų | 95.4 | 41% | 0.407 | 56% | 0.557 | S | S | . | * | trans | -110.1 | 56.6 | 166.6 | -70.7 | -171.1 | 132.1 | 0 | 0 | 111.3 | R211 | E197-R211 IonicContact OE2-CZ 2.9Å; E197-R211 IonicContact OE2-NH1 3.07Å; E197-R211 PolarHBondContact OE2-NH1 2.75Å; E197-R211 IonicContact OE2-NH2 2.68Å; E197-R211 PolarHBondContact OE2-NH2 2.68Å | ||
| 198 | G | 48.1 | Very low | 59.4 | Low | 52 Ų | 52 | 95.9 Ų | 95.9 | 54% | 0.536 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -51 | 140.1 | 140.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | A200 | G198-A200 PolarHBondContact O-N 3.25Š|
| 199 | P | 43.6 | Very low | 58.9 | Low | 123 Ų | 123 | 96.6 Ų | 96.6 | 80% | 0.799 | 55% | 0.552 | S | S | * | * | trans | -47.8 | 96.9 | -149.5 | 22.6 | -34 | 0 | 0 | 0 | 112 | E201 | P199-E201 PolarHBondContact O-N 3.14Š| ||
| 200 | A | 45.2 | Very low | 58.8 | Low | 46 Ų | 46 | 97.3 Ų | 97.3 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | trans | -61.8 | 114.9 | 169 | 0 | 0 | 0 | 0 | 0 | 105.8 | G198 G202 E203 | G198-A200 PolarHBondContact O-N 3.25Å; A200-G202 PolarHBondContact O-N 3.12Å; A200-E203 PolarHBondContact O-N 3.19Å | ||
| 201 | E | 48.7 | Very low | 58.7 | Low | 209 Ų | 209 | 98 Ų | 98 | 98% | 0.977 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 79.9 | 178.2 | -64.9 | -177.7 | 129.8 | 0 | 0 | 109.3 | P199 | P199-E201 PolarHBondContact O-N 3.14Š|
| 202 | G | 53.8 | Low | 58.8 | Low | 73 Ų | 73 | 103.8 Ų | 103.8 | 75% | 0.753 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.1 | -22 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | A200 G204 | A200-G202 PolarHBondContact O-N 3.12Å; G202-G204 PolarHBondContact O-N 3.23Å; G202-G204 VanDerWaalsContact O-N 3.16Å |
| 203 | E | 52.9 | Low | 59.4 | Low | 59 Ų | 59 | 101.8 Ų | 101.8 | 28% | 0.276 | 56% | 0.557 | S | S | . | * | trans | -79.1 | 110.5 | 179 | -75 | -171.6 | 100.5 | 0 | 0 | 111.8 | A200 R208 R211 | A200-E203 PolarHBondContact O-N 3.19Å; E203-R208 PolarHBondContact O-NH1 2.77Å; E203-R208 PolarHBondContact O-NH2 3.18Å; E203-R211 IonicContact OE1-CZ 3.48Å; E203-R211 IonicContact OE1-NH2 3.64Å; E203-R211 PolarHBondContact OE1-NH2 3.43Å; E203-R211 IonicContact OE2-CZ 3.45Å; E203-R211 IonicContact OE2-NH2 3.07Å; E203-R211 PolarHBondContact OE2-NH2 2.93Å | ||
| 204 | G | 62.8 | Low | 60.4 | Low | 48 Ų | 48 | 106.3 Ų | 106.3 | 50% | 0.495 | 56% | 0.561 | S | S | . | * | trans | -55.9 | 159.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | G202 L206 G207 | G202-G204 PolarHBondContact O-N 3.23Å; G202-G204 VanDerWaalsContact O-N 3.16Å; G204-L206 PolarHBondContact O-N 3.2Å; G204-G207 PolarHBondContact O-N 3.31Å | ||
| 205 | R | 65.7 | Low | 61.3 | Low | 218 Ų | 218 | 102.4 Ų | 102.4 | 82% | 0.823 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -49.4 | -24.4 | 177.7 | -68.6 | 177.6 | 73.3 | -139.7 | 4.4 | 113.6 | C209 | R205-C209 PolarHBondContact O-N 3.25Å |
| 206 | L | 70.4 | Confident | 62.4 | Low | 135 Ų | 135 | 98.3 Ų | 98.3 | 71% | 0.707 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.4 | -40.7 | 179.4 | -162.9 | 68 | 0 | 0 | 0 | 113.1 | G204 C209 M210 | G204-L206 PolarHBondContact O-N 3.2Å; L206-C209 WeakPolarHBondContact O-CB 3.4Å; L206-C209 PolarHBondContact O-N 2.93Å; L206-M210 WeakPolarHBondContact O-CG 3.35Å; L206-M210 PolarHBondContact O-N 2.75Å |
| 207 | G | 72.3 | Confident | 63.9 | Low | 26 Ų | 26 | 97.7 Ų | 97.7 | 27% | 0.268 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G204 C209 M210 R211 | G204-G207 PolarHBondContact O-N 3.31Å; G207-C209 VanDerWaalsContact C-N 3.33Å; G207-C209 PolarHBondContact O-N 2.93Å; G207-M210 PolarHBondContact O-N 3.22Å; G207-R211 PolarHBondContact O-N 3.34Å; G207-R211 VanDerWaalsContact O-N 3.1Å |
| 208 | R | 67.8 | Low | 65.3 | Low | 118 Ų | 118 | 98.5 Ų | 98.5 | 45% | 0.445 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -34.8 | 173.5 | -71 | -171.5 | -73.7 | -76.5 | 0.7 | 113.1 | E203 R212 | E203-R208 PolarHBondContact O-NH1 2.77Å; E203-R208 PolarHBondContact O-NH2 3.18Å; R208-R212 WeakPolarHBondContact O-CG 3.46Å; R208-R212 PolarHBondContact O-N 2.65Å |
| 209 | C | 71.6 | Confident | 66.3 | Low | 65 Ų | 65 | 100 Ų | 100 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69 | -49.4 | 176.9 | -170.3 | 0 | 0 | 0 | 0 | 111.1 | R205 L206 G207 R211 R212 L213 | R205-C209 PolarHBondContact O-N 3.25Å; L206-C209 WeakPolarHBondContact O-CB 3.4Å; L206-C209 PolarHBondContact O-N 2.93Å; G207-C209 VanDerWaalsContact C-N 3.33Å; G207-C209 PolarHBondContact O-N 2.93Å; C209-R211 VanDerWaalsContact C-N 3.28Å; C209-R211 PolarHBondContact O-N 2.86Å; C209-R212 PolarHBondContact O-N 3.18Å; C209-L213 WeakPolarHBondContact O-CG 2.72Å; C209-L213 PolarHBondContact O-N 3.05Å |
| 210 | M | 76.7 | Confident | 67.5 | Low | 123 Ų | 123 | 96.2 Ų | 96.2 | 61% | 0.606 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -37.8 | 179.8 | -74.4 | -63.4 | -124.8 | 0 | 0 | 112.1 | L206 G207 L213 R214 | L206-M210 WeakPolarHBondContact O-CG 3.35Å; L206-M210 PolarHBondContact O-N 2.75Å; G207-M210 PolarHBondContact O-N 3.22Å; M210-L213 PolarHBondContact O-N 3.28Å; M210-L213 HydrophobicContact SD-CD1 4.45Å; M210-R214 WeakPolarHBondContact O-CB 3.4Å; M210-R214 PolarHBondContact O-N 3.06Å |
| 211 | R | 69.8 | Low | 68.4 | Low | 78 Ų | 78 | 101.8 Ų | 101.8 | 29% | 0.294 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 175 | -84.6 | -174.3 | -82.6 | 172.5 | -8.7 | 113.8 | E197 E203 G207 C209 L213 R214 D215 | E197-R211 IonicContact OE2-CZ 2.9Å; E197-R211 IonicContact OE2-NH1 3.07Å; E197-R211 PolarHBondContact OE2-NH1 2.75Å; E197-R211 IonicContact OE2-NH2 2.68Å; E197-R211 PolarHBondContact OE2-NH2 2.68Å; E203-R211 IonicContact OE1-CZ 3.48Å; E203-R211 IonicContact OE1-NH2 3.64Å; E203-R211 PolarHBondContact OE1-NH2 3.43Å; E203-R211 IonicContact OE2-CZ 3.45Å; E203-R211 IonicContact OE2-NH2 3.07Å; E203-R211 PolarHBondContact OE2-NH2 2.93Å; G207-R211 PolarHBondContact O-N 3.34Å; G207-R211 VanDerWaalsContact O-N 3.1Å; C209-R211 VanDerWaalsContact C-N 3.28Å; C209-R211 PolarHBondContact O-N 2.86Å; R211-L213 VanDerWaalsContact C-N 3.28Å; R211-L213 PolarHBondContact O-N 2.69Å; R211-R214 WeakPolarHBondContact O-CB 3.49Å; R211-R214 PolarHBondContact O-N 3.09Å; R211-D215 PolarHBondContact O-N 2.76Å |
| 212 | R | 70.1 | Confident | 69.1 | Low | 183 Ų | 183 | 95 Ų | 95 | 69% | 0.691 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.2 | -38.6 | 173.6 | -73.4 | -178.9 | -176.5 | -178.1 | 0.5 | 112.3 | R208 C209 M216 | R208-R212 WeakPolarHBondContact O-CG 3.46Å; R208-R212 PolarHBondContact O-N 2.65Å; C209-R212 PolarHBondContact O-N 3.18Å; R212-M216 WeakPolarHBondContact O-CB 3.2Å; R212-M216 WeakPolarHBondContact O-CG 3.2Å; R212-M216 PolarHBondContact O-N 3.44Å |
| 213 | L | 74.8 | Confident | 70 | Confident | 84 Ų | 84 | 92.7 Ų | 92.7 | 44% | 0.44 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 175.6 | -69.8 | 172.7 | 0 | 0 | 0 | 111.4 | C209 M210 R211 M216 V217 | C209-L213 WeakPolarHBondContact O-CG 2.72Å; C209-L213 PolarHBondContact O-N 3.05Å; M210-L213 PolarHBondContact O-N 3.28Å; M210-L213 HydrophobicContact SD-CD1 4.45Å; R211-L213 VanDerWaalsContact C-N 3.28Å; R211-L213 PolarHBondContact O-N 2.69Å; L213-M216 PolarHBondContact O-N 3.14Å; L213-V217 VanDerWaalsContact O-CG2 3.28Å; L213-V217 WeakPolarHBondContact O-CG2 3.48Å; L213-V217 PolarHBondContact O-N 2.86Å; L213-V217 VanDerWaalsContact O-N 3.09Å |
| 214 | R | 76.9 | Confident | 71 | Confident | 138 Ų | 138 | 96.7 Ų | 96.7 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 174.9 | -177.1 | 177.9 | 169.4 | -173.5 | -10.7 | 111.7 | M210 R211 M216 V217 E218 | M210-R214 WeakPolarHBondContact O-CB 3.4Å; M210-R214 PolarHBondContact O-N 3.06Å; R211-R214 WeakPolarHBondContact O-CB 3.49Å; R211-R214 PolarHBondContact O-N 3.09Å; R214-M216 VanDerWaalsContact C-N 3.3Å; R214-M216 PolarHBondContact O-N 3.37Å; R214-V217 PolarHBondContact O-N 2.99Å; R214-V217 VanDerWaalsContact O-N 3.08Å; R214-E218 VanDerWaalsContact CG-CD 3.43Å; R214-E218 HydrophobicContact CG-CG 4.21Å; R214-E218 WeakPolarHBondContact CG-OE1 3.23Å; R214-E218 WeakPolarHBondContact CG-OE2 3.41Å; R214-E218 IonicContact CZ-OE1 3.04Å; R214-E218 IonicContact CZ-OE2 2.58Å; R214-E218 VanDerWaalsContact NE-CD 3.27Å; R214-E218 IonicContact NE-OE1 2.63Å; R214-E218 PolarHBondContact NE-OE1 3.17Å; R214-E218 IonicContact NE-OE2 3.61Å; R214-E218 PolarHBondContact NE-OE2 3.16Å; R214-E218 IonicContact NH2-OE1 2.61Å; R214-E218 IonicContact NH2-OE2 3.06Å; R214-E218 PolarHBondContact NH2-OE2 3.22Å; R214-E218 WeakPolarHBondContact O-CB 3.38Å; R214-E218 PolarHBondContact O-N 2.94Å |
| 215 | D | 71.6 | Confident | 71.8 | Confident | 53 Ų | 53 | 97.9 Ų | 97.9 | 28% | 0.283 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58 | -40.8 | 175.7 | -85.2 | -47.9 | 0 | 0 | 0 | 112.3 | R194 R211 V217 R219 | R194-D215 IonicContact NH2-OD1 3.75Å; R194-D215 PolarHBondContact NH2-OD1 3.2Å; R194-D215 VanDerWaalsContact NH2-OD1 3.07Å; R211-D215 PolarHBondContact O-N 2.76Å; D215-V217 VanDerWaalsContact C-N 3.29Å; D215-V217 PolarHBondContact O-N 3.24Å; D215-R219 PolarHBondContact O-N 3.03Å; D215-R219 VanDerWaalsContact O-N 3.09Å |
| 216 | M | 73.8 | Confident | 72.5 | Confident | 47 Ų | 47 | 87.6 Ų | 87.6 | 23% | 0.232 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.8 | -33.1 | 177 | -78 | 173.6 | 56.9 | 0 | 0 | 113.1 | R212 L213 R214 P225 F229 | R212-M216 WeakPolarHBondContact O-CB 3.2Å; R212-M216 WeakPolarHBondContact O-CG 3.2Å; R212-M216 PolarHBondContact O-N 3.44Å; L213-M216 PolarHBondContact O-N 3.14Å; R214-M216 VanDerWaalsContact C-N 3.3Å; R214-M216 PolarHBondContact O-N 3.37Å; M216-P225 HydrophobicContact CE-CB 4.13Å; M216-P225 HydrophobicContact CG-CB 4.01Å; M216-P225 HydrophobicContact CG-CG 4.37Å; M216-P225 HydrophobicContact SD-CB 3.84Å; M216-F229 HydrophobicContact CE-CB 4.15Å |
| 217 | V | 77.7 | Confident | 73.2 | Confident | 87 Ų | 87 | 87.1 Ų | 87.1 | 53% | 0.527 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -85.6 | -44.7 | -177.8 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | L213 R214 D215 F229 | L213-V217 VanDerWaalsContact O-CG2 3.28Å; L213-V217 WeakPolarHBondContact O-CG2 3.48Å; L213-V217 PolarHBondContact O-N 2.86Å; L213-V217 VanDerWaalsContact O-N 3.09Å; R214-V217 PolarHBondContact O-N 2.99Å; R214-V217 VanDerWaalsContact O-N 3.08Å; D215-V217 VanDerWaalsContact C-N 3.29Å; D215-V217 PolarHBondContact O-N 3.24Å; V217-F229 HydrophobicContact CB-CE1 4.5Å; V217-F229 HydrophobicContact CG2-CE1 3.91Å; V217-F229 HydrophobicContact CG2-CZ 3.92Å |
| 218 | E | 77.5 | Confident | 73.9 | Confident | 103 Ų | 103 | 89.9 Ų | 89.9 | 48% | 0.481 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -79.4 | -31 | -174.1 | -70.7 | 176.2 | -179.3 | 0 | 0 | 112.7 | R214 | R214-E218 VanDerWaalsContact CG-CD 3.43Å; R214-E218 HydrophobicContact CG-CG 4.21Å; R214-E218 WeakPolarHBondContact CG-OE1 3.23Å; R214-E218 WeakPolarHBondContact CG-OE2 3.41Å; R214-E218 IonicContact CZ-OE1 3.04Å; R214-E218 IonicContact CZ-OE2 2.58Å; R214-E218 VanDerWaalsContact NE-CD 3.27Å; R214-E218 IonicContact NE-OE1 2.63Å; R214-E218 PolarHBondContact NE-OE1 3.17Å; R214-E218 IonicContact NE-OE2 3.61Å; R214-E218 PolarHBondContact NE-OE2 3.16Å; R214-E218 IonicContact NH2-OE1 2.61Å; R214-E218 IonicContact NH2-OE2 3.06Å; R214-E218 PolarHBondContact NH2-OE2 3.22Å; R214-E218 WeakPolarHBondContact O-CB 3.38Å; R214-E218 PolarHBondContact O-N 2.94Å |
| 219 | R | 68.8 | Low | 74.8 | Confident | 84 Ų | 84 | 88.4 Ų | 88.4 | 32% | 0.317 | 44% | 0.441 | S | S | . | . | trans | -128.3 | 77 | -179 | -66.1 | -178.5 | 176.3 | 128.2 | -4.3 | 111.6 | D190 D215 H221 S222 | D190-R219 IonicContact OD2-CZ 3.42Å; D190-R219 IonicContact OD2-NH1 2.9Å; D190-R219 IonicContact OD2-NH2 2.59Å; D190-R219 PolarHBondContact OD2-NH2 3.1Å; D215-R219 PolarHBondContact O-N 3.03Å; D215-R219 VanDerWaalsContact O-N 3.09Å; R219-H221 PolarHBondContact O-N 3.32Å; R219-S222 WeakPolarHBondContact O-CB 3.4Å; R219-S222 PolarHBondContact O-N 3.27Å; R219-S222 PolarHBondContact O-OG 2.85Å | ||
| 220 | P | 68.3 | Low | 75.4 | Confident | 43 Ų | 43 | 86.6 Ų | 86.6 | 28% | 0.279 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.6 | -178.7 | 22.3 | -32.8 | 0 | 0 | 0 | 114.1 | G226 K227 A230 | P220-G226 CarbonylContact O-C 3.12Å; P220-K227 PolarHBondContact O-N 3.04Å; P220-K227 VanDerWaalsContact O-N 3.14Å; P220-A230 HydrophobicContact CB-CB 3.76Å |
| 221 | H | 65.2 | Low | 76 | Confident | 164 Ų | 164 | 84.3 Ų | 84.3 | 76% | 0.759 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -7.8 | 178.2 | -60.2 | -63.5 | 0 | 0 | 0 | 114.7 | R219 G223 | R219-H221 PolarHBondContact O-N 3.32Å; H221-G223 VanDerWaalsContact C-N 3.29Å; H221-G223 PolarHBondContact O-N 3.37Å |
| 222 | S | 62.8 | Low | 76.9 | Confident | 65 Ų | 65 | 85.6 Ų | 85.6 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -74.8 | -7.6 | -170.8 | 63.7 | 0 | 0 | 0 | 0 | 115.5 | R219 | R219-S222 WeakPolarHBondContact O-CB 3.4Å; R219-S222 PolarHBondContact O-N 3.27Å; R219-S222 PolarHBondContact O-OG 2.85Å |
| 223 | G | 72.9 | Confident | 77.9 | Confident | 25 Ų | 25 | 79.4 Ų | 79.4 | 26% | 0.258 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 173.5 | -179.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | H221 G226 K227 | H221-G223 VanDerWaalsContact C-N 3.29Å; H221-G223 PolarHBondContact O-N 3.37Å; G223-G226 PolarHBondContact O-N 3.32Å; G223-K227 WeakPolarHBondContact O-CG 3.15Å; G223-K227 PolarHBondContact O-N 3.44Å |
| 224 | L | 74.6 | Confident | 78.8 | Confident | 144 Ų | 144 | 79.9 Ų | 79.9 | 75% | 0.754 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -50.3 | -51 | 175.4 | -99.4 | 156.6 | 0 | 0 | 0 | 114 | K227 V228 | L224-K227 PolarHBondContact O-N 2.84Å; L224-V228 WeakPolarHBondContact O-CG2 3.46Å; L224-V228 PolarHBondContact O-N 2.91Å |
| 225 | P | 78.1 | Confident | 79.7 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.8 | -35.1 | -178 | 24.2 | -32.6 | 0 | 0 | 0 | 113.5 | M216 V228 F229 | M216-P225 HydrophobicContact CE-CB 4.13Å; M216-P225 HydrophobicContact CG-CB 4.01Å; M216-P225 HydrophobicContact CG-CG 4.37Å; M216-P225 HydrophobicContact SD-CB 3.84Å; P225-V228 PolarHBondContact O-N 2.95Å; P225-F229 PolarHBondContact O-N 2.8Å |
| 226 | G | 81.6 | Confident | 80.8 | Confident | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.01 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P220 G223 V228 F229 A230 | P220-G226 CarbonylContact O-C 3.12Å; G223-G226 PolarHBondContact O-N 3.32Å; G226-V228 PolarHBondContact O-N 3.08Å; G226-F229 PolarHBondContact O-N 3.21Å; G226-A230 WeakPolarHBondContact O-CB 3.03Å; G226-A230 PolarHBondContact O-N 3.3Å |
| 227 | K | 84.2 | Confident | 81.9 | Confident | 126 Ų | 126 | 83.9 Ų | 83.9 | 55% | 0.548 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 175.1 | -72 | 173.3 | -178.5 | 175.9 | 0 | 112.4 | P220 G223 L224 C231 | P220-K227 PolarHBondContact O-N 3.04Å; P220-K227 VanDerWaalsContact O-N 3.14Å; G223-K227 WeakPolarHBondContact O-CG 3.15Å; G223-K227 PolarHBondContact O-N 3.44Å; L224-K227 PolarHBondContact O-N 2.84Å; K227-C231 WeakPolarHBondContact O-CB 3.21Å; K227-C231 PolarHBondContact O-N 2.87Å |
| 228 | V | 86.4 | Confident | 82.7 | Confident | 83 Ų | 83 | 83 Ų | 83 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L224 P225 G226 A230 C231 L232 | L224-V228 WeakPolarHBondContact O-CG2 3.46Å; L224-V228 PolarHBondContact O-N 2.91Å; P225-V228 PolarHBondContact O-N 2.95Å; G226-V228 PolarHBondContact O-N 3.08Å; V228-A230 PolarHBondContact O-N 3.19Å; V228-C231 PolarHBondContact O-N 2.73Å; V228-L232 HydrophobicContact CG1-CD1 4.11Å; V228-L232 HydrophobicContact CG1-CG 4.47Å; V228-L232 WeakPolarHBondContact O-CG 3.17Å; V228-L232 PolarHBondContact O-N 2.93Å |
| 229 | F | 86.7 | Confident | 83.6 | Confident | 87 Ų | 87 | 82.5 Ų | 82.5 | 38% | 0.382 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 177.5 | -179 | -101.1 | 0 | 0 | 0 | 112.2 | M216 V217 P225 G226 C231 L232 S233 | M216-F229 HydrophobicContact CE-CB 4.15Å; V217-F229 HydrophobicContact CB-CE1 4.5Å; V217-F229 HydrophobicContact CG2-CE1 3.91Å; V217-F229 HydrophobicContact CG2-CZ 3.92Å; P225-F229 PolarHBondContact O-N 2.8Å; G226-F229 PolarHBondContact O-N 3.21Å; F229-C231 VanDerWaalsContact C-N 3.32Å; F229-C231 PolarHBondContact O-N 3.2Å; F229-L232 PolarHBondContact O-N 3.01Å; F229-S233 PolarHBondContact O-N 3.14Å; F229-S233 PolarHBondContact O-OG 3.04Å |
| 230 | A | 85.6 | Confident | 84.9 | Confident | 28 Ų | 28 | 81.1 Ų | 81.1 | 23% | 0.231 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | P220 G226 V228 S233 V234 | P220-A230 HydrophobicContact CB-CB 3.76Å; G226-A230 WeakPolarHBondContact O-CB 3.03Å; G226-A230 PolarHBondContact O-N 3.3Å; V228-A230 PolarHBondContact O-N 3.19Å; A230-S233 WeakPolarHBondContact CA-OG 3.28Å; A230-S233 PolarHBondContact O-OG 3.12Å; A230-V234 VanDerWaalsContact O-CG2 3.3Å; A230-V234 WeakPolarHBondContact O-CG2 3.24Å; A230-V234 PolarHBondContact O-N 3.06Å; A230-V234 VanDerWaalsContact O-N 3.11Å |
| 231 | C | 87.8 | Confident | 86.2 | Confident | 74 Ų | 74 | 81.3 Ų | 81.3 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | K227 V228 F229 S233 V234 L235 | K227-C231 WeakPolarHBondContact O-CB 3.21Å; K227-C231 PolarHBondContact O-N 2.87Å; V228-C231 PolarHBondContact O-N 2.73Å; F229-C231 VanDerWaalsContact C-N 3.32Å; F229-C231 PolarHBondContact O-N 3.2Å; C231-S233 PolarHBondContact O-N 2.89Å; C231-V234 PolarHBondContact O-N 3.12Å; C231-L235 WeakPolarHBondContact O-CB 3.38Å; C231-L235 WeakPolarHBondContact O-CG 3.41Å; C231-L235 PolarHBondContact O-N 3.29Å |
| 232 | L | 90.6 | Very high | 87.6 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 55% | 0.55 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 177.2 | -69.3 | 174.8 | 0 | 0 | 0 | 112.5 | V228 F229 L235 F236 | V228-L232 HydrophobicContact CG1-CD1 4.11Å; V228-L232 HydrophobicContact CG1-CG 4.47Å; V228-L232 WeakPolarHBondContact O-CG 3.17Å; V228-L232 PolarHBondContact O-N 2.93Å; F229-L232 PolarHBondContact O-N 3.01Å; L232-L235 PolarHBondContact O-N 2.82Å; L232-F236 WeakPolarHBondContact O-CB 3.26Å; L232-F236 PolarHBondContact O-N 2.9Å |
| 233 | S | 90.9 | Very high | 88.9 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 37% | 0.371 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 178 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | F229 A230 C231 F236 V237 | F229-S233 PolarHBondContact O-N 3.14Å; F229-S233 PolarHBondContact O-OG 3.04Å; A230-S233 WeakPolarHBondContact CA-OG 3.28Å; A230-S233 PolarHBondContact O-OG 3.12Å; C231-S233 PolarHBondContact O-N 2.89Å; S233-F236 PolarHBondContact O-N 2.77Å; S233-V237 WeakPolarHBondContact O-CG2 3.44Å; S233-V237 PolarHBondContact O-N 2.92Å |
| 234 | V | 93.1 | Very high | 89.6 | Confident | 94 Ų | 94 | 84 Ų | 84 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | A230 C231 F236 V237 T238 | A230-V234 VanDerWaalsContact O-CG2 3.3Å; A230-V234 WeakPolarHBondContact O-CG2 3.24Å; A230-V234 PolarHBondContact O-N 3.06Å; A230-V234 VanDerWaalsContact O-N 3.11Å; C231-V234 PolarHBondContact O-N 3.12Å; V234-F236 VanDerWaalsContact C-N 3.35Å; V234-F236 PolarHBondContact O-N 2.86Å; V234-V237 PolarHBondContact O-N 3.06Å; V234-T238 HydrophobicContact CG1-CG2 4.38Å; V234-T238 WeakPolarHBondContact O-CG2 3.24Å; V234-T238 PolarHBondContact O-N 2.89Å; V234-T238 PolarHBondContact O-OG1 3.46Å |
| 235 | L | 94.9 | Very high | 90.3 | Very high | 90 Ų | 90 | 80.6 Ų | 80.6 | 47% | 0.471 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 176.5 | -77.8 | 167.2 | 0 | 0 | 0 | 111.5 | C231 L232 V237 T238 V239 | C231-L235 WeakPolarHBondContact O-CB 3.38Å; C231-L235 WeakPolarHBondContact O-CG 3.41Å; C231-L235 PolarHBondContact O-N 3.29Å; L232-L235 PolarHBondContact O-N 2.82Å; L235-V237 PolarHBondContact O-N 3.08Å; L235-T238 WeakPolarHBondContact CA-OG1 3.18Å; L235-T238 PolarHBondContact O-N 2.94Å; L235-T238 PolarHBondContact O-OG1 3.1Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.29Å |
| 236 | F | 95.4 | Very high | 90.7 | Very high | 140 Ų | 140 | 80.1 Ų | 80.1 | 61% | 0.614 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -58.6 | -48.2 | 178.3 | -179 | -101.7 | 0 | 0 | 0 | 112.1 | L232 S233 V234 T238 V239 T240 | L232-F236 WeakPolarHBondContact O-CB 3.26Å; L232-F236 PolarHBondContact O-N 2.9Å; S233-F236 PolarHBondContact O-N 2.77Å; V234-F236 VanDerWaalsContact C-N 3.35Å; V234-F236 PolarHBondContact O-N 2.86Å; F236-T238 VanDerWaalsContact C-N 3.33Å; F236-T238 PolarHBondContact O-N 3.36Å; F236-V239 PolarHBondContact O-N 2.72Å; F236-T240 HydrophobicContact CD1-CG2 4.45Å; F236-T240 HydrophobicContact CE1-CG2 4Å; F236-T240 HydrophobicContact CE2-CG2 4.1Å; F236-T240 HydrophobicContact CZ-CG2 3.81Å; F236-T240 PolarHBondContact O-N 3.24Å; F236-T240 PolarHBondContact O-OG1 3.17Å |
| 237 | V | 96.1 | Very high | 90.6 | Very high | 92 Ų | 92 | 83.1 Ų | 83.1 | 56% | 0.558 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.9 | -45.8 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | S233 V234 L235 T240 A241 | S233-V237 WeakPolarHBondContact O-CG2 3.44Å; S233-V237 PolarHBondContact O-N 2.92Å; V234-V237 PolarHBondContact O-N 3.06Å; L235-V237 PolarHBondContact O-N 3.08Å; V237-T240 WeakPolarHBondContact CA-OG1 3.38Å; V237-T240 PolarHBondContact O-N 2.89Å; V237-T240 PolarHBondContact O-OG1 2.81Å; V237-A241 WeakPolarHBondContact O-CB 3.33Å; V237-A241 PolarHBondContact O-N 3.34Å |
| 238 | T | 95.9 | Very high | 90.5 | Very high | 69 Ų | 69 | 82.4 Ų | 82.4 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 178.7 | 59.6 | 0 | 0 | 0 | 0 | 113 | V234 L235 F236 A241 V242 | V234-T238 HydrophobicContact CG1-CG2 4.38Å; V234-T238 WeakPolarHBondContact O-CG2 3.24Å; V234-T238 PolarHBondContact O-N 2.89Å; V234-T238 PolarHBondContact O-OG1 3.46Å; L235-T238 WeakPolarHBondContact CA-OG1 3.18Å; L235-T238 PolarHBondContact O-N 2.94Å; L235-T238 PolarHBondContact O-OG1 3.1Å; F236-T238 VanDerWaalsContact C-N 3.33Å; F236-T238 PolarHBondContact O-N 3.36Å; T238-A241 PolarHBondContact O-N 2.8Å; T238-V242 WeakPolarHBondContact O-CG2 3.47Å; T238-V242 PolarHBondContact O-N 3.44Å |
| 239 | V | 95.7 | Very high | 90.2 | Very high | 92 Ų | 92 | 82.7 Ų | 82.7 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 178 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L235 F236 A241 V242 N243 | L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.29Å; F236-V239 PolarHBondContact O-N 2.72Å; V239-A241 PolarHBondContact O-N 2.96Å; V239-V242 PolarHBondContact O-N 3.48Å; V239-N243 WeakPolarHBondContact O-CB 3.38Å; V239-N243 PolarHBondContact O-N 3.37Å |
| 240 | T | 95.6 | Very high | 89.1 | Confident | 55 Ų | 55 | 82.9 Ų | 82.9 | 34% | 0.337 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.1 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | F236 V237 N243 L244 | F236-T240 HydrophobicContact CD1-CG2 4.45Å; F236-T240 HydrophobicContact CE1-CG2 4Å; F236-T240 HydrophobicContact CE2-CG2 4.1Å; F236-T240 HydrophobicContact CZ-CG2 3.81Å; F236-T240 PolarHBondContact O-N 3.24Å; F236-T240 PolarHBondContact O-OG1 3.17Å; V237-T240 WeakPolarHBondContact CA-OG1 3.38Å; V237-T240 PolarHBondContact O-N 2.89Å; V237-T240 PolarHBondContact O-OG1 2.81Å; T240-N243 PolarHBondContact O-N 3.39Å; T240-L244 WeakPolarHBondContact O-CB 3.44Å; T240-L244 VanDerWaalsContact O-CG 3.27Å; T240-L244 WeakPolarHBondContact O-CG 2.99Å; T240-L244 PolarHBondContact O-N 3.42Å |
| 241 | A | 95.3 | Very high | 87.9 | Confident | 48 Ų | 48 | 85.3 Ų | 85.3 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | V237 T238 V239 S245 | V237-A241 WeakPolarHBondContact O-CB 3.33Å; V237-A241 PolarHBondContact O-N 3.34Å; T238-A241 PolarHBondContact O-N 2.8Å; V239-A241 PolarHBondContact O-N 2.96Å; A241-S245 WeakPolarHBondContact O-CB 3.26Å; A241-S245 PolarHBondContact O-N 2.84Å; A241-S245 PolarHBondContact O-OG 3.34Å |
| 242 | V | 94.5 | Very high | 86.5 | Confident | 91 Ų | 91 | 85.6 Ų | 85.6 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -46 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | T238 V239 L244 S245 V246 | T238-V242 WeakPolarHBondContact O-CG2 3.47Å; T238-V242 PolarHBondContact O-N 3.44Å; V239-V242 PolarHBondContact O-N 3.48Å; V242-L244 PolarHBondContact O-N 3.08Å; V242-S245 WeakPolarHBondContact O-CB 3.33Å; V242-S245 PolarHBondContact O-N 2.79Å; V242-S245 VanDerWaalsContact O-N 3.09Å; V242-V246 HydrophobicContact CG1-CG2 4.23Å; V242-V246 VanDerWaalsContact O-CG2 3.31Å; V242-V246 WeakPolarHBondContact O-CG2 3.49Å; V242-V246 PolarHBondContact O-N 2.87Å |
| 243 | N | 90.1 | Very high | 84.8 | Confident | 101 Ų | 101 | 89 Ų | 89 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 179.1 | -167.1 | -7.9 | 0 | 0 | 0 | 111.8 | V239 T240 S245 V246 S247 | V239-N243 WeakPolarHBondContact O-CB 3.38Å; V239-N243 PolarHBondContact O-N 3.37Å; T240-N243 PolarHBondContact O-N 3.39Å; N243-S245 VanDerWaalsContact C-N 3.32Å; N243-S245 PolarHBondContact O-N 2.64Å; N243-V246 PolarHBondContact O-N 2.8Å; N243-S247 VanDerWaalsContact O-CB 3.31Å; N243-S247 WeakPolarHBondContact O-CB 3.5Å; N243-S247 PolarHBondContact O-N 2.81Å; N243-S247 PolarHBondContact O-OG 3.18Å; N243-S247 PolarHBondContact OD1-OG 3.21Å |
| 244 | L | 88.9 | Confident | 83.2 | Confident | 118 Ų | 118 | 93.6 Ų | 93.6 | 62% | 0.618 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 172.4 | -72.5 | 170.4 | 0 | 0 | 0 | 111.9 | T240 V242 S247 T248 | T240-L244 WeakPolarHBondContact O-CB 3.44Å; T240-L244 VanDerWaalsContact O-CG 3.27Å; T240-L244 WeakPolarHBondContact O-CG 2.99Å; T240-L244 PolarHBondContact O-N 3.42Å; V242-L244 PolarHBondContact O-N 3.08Å; L244-S247 PolarHBondContact O-N 3.05Å; L244-T248 WeakPolarHBondContact O-CB 3.47Å; L244-T248 PolarHBondContact O-N 2.79Å; L244-T248 VanDerWaalsContact O-N 3.14Å; L244-T248 PolarHBondContact O-OG1 3.27Å |
| 245 | S | 89.5 | Confident | 81.5 | Confident | 73 Ų | 73 | 96.4 Ų | 96.4 | 51% | 0.51 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 178.6 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | A241 V242 N243 T248 L249 | A241-S245 WeakPolarHBondContact O-CB 3.26Å; A241-S245 PolarHBondContact O-N 2.84Å; A241-S245 PolarHBondContact O-OG 3.34Å; V242-S245 WeakPolarHBondContact O-CB 3.33Å; V242-S245 PolarHBondContact O-N 2.79Å; V242-S245 VanDerWaalsContact O-N 3.09Å; N243-S245 VanDerWaalsContact C-N 3.32Å; N243-S245 PolarHBondContact O-N 2.64Å; S245-T248 PolarHBondContact O-N 3.46Å; S245-L249 PolarHBondContact O-N 2.87Å |
| 246 | V | 86.3 | Confident | 79.6 | Confident | 63 Ų | 63 | 100.5 Ų | 100.5 | 38% | 0.382 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | V242 N243 T248 L249 L252 | V242-V246 HydrophobicContact CG1-CG2 4.23Å; V242-V246 VanDerWaalsContact O-CG2 3.31Å; V242-V246 WeakPolarHBondContact O-CG2 3.49Å; V242-V246 PolarHBondContact O-N 2.87Å; N243-V246 PolarHBondContact O-N 2.8Å; V246-T248 PolarHBondContact O-N 3.49Å; V246-L249 PolarHBondContact O-N 3.25Å; V246-L249 VanDerWaalsContact O-N 3.12Å; V246-L252 HydrophobicContact CG1-CD1 3.61Å |
| 247 | S | 80.1 | Confident | 77.4 | Confident | 64 Ų | 64 | 102.4 Ų | 102.4 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.9 | -19.1 | 177.9 | -60.9 | 0 | 0 | 0 | 0 | 113.7 | N243 L244 | N243-S247 VanDerWaalsContact O-CB 3.31Å; N243-S247 WeakPolarHBondContact O-CB 3.5Å; N243-S247 PolarHBondContact O-N 2.81Å; N243-S247 PolarHBondContact O-OG 3.18Å; N243-S247 PolarHBondContact OD1-OG 3.21Å; L244-S247 PolarHBondContact O-N 3.05Å |
| 248 | T | 81.8 | Confident | 74.7 | Confident | 111 Ų | 111 | 109.6 Ų | 109.6 | 68% | 0.681 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -96.5 | -10.3 | 179.6 | -49.1 | 0 | 0 | 0 | 0 | 112 | L244 S245 V246 P250 | L244-T248 WeakPolarHBondContact O-CB 3.47Å; L244-T248 PolarHBondContact O-N 2.79Å; L244-T248 VanDerWaalsContact O-N 3.14Å; L244-T248 PolarHBondContact O-OG1 3.27Å; S245-T248 PolarHBondContact O-N 3.46Å; V246-T248 PolarHBondContact O-N 3.49Å; T248-P250 WeakPolarHBondContact O-CD 3.45Å |
| 249 | L | 79.8 | Confident | 73.6 | Confident | 88 Ų | 88 | 111.6 Ų | 111.6 | 46% | 0.461 | 60% | 0.596 | S | S | . | * | trans | -77 | 117.6 | 175.1 | -71.7 | 171.7 | 0 | 0 | 0 | 110 | S245 V246 S251 L252 | S245-L249 PolarHBondContact O-N 2.87Å; V246-L249 PolarHBondContact O-N 3.25Å; V246-L249 VanDerWaalsContact O-N 3.12Å; L249-S251 PolarHBondContact O-N 2.82Å; L249-L252 PolarHBondContact O-N 2.96Å | ||
| 250 | P | 62.8 | Low | 72.5 | Confident | 92 Ų | 92 | 112.6 Ų | 112.6 | 60% | 0.597 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.8 | -22 | -179.5 | 23.9 | -31.1 | 0 | 0 | 0 | 112.9 | T248 L252 R253 | T248-P250 WeakPolarHBondContact O-CD 3.45Å; P250-L252 PolarHBondContact O-N 3.08Å; P250-R253 PolarHBondContact O-N 2.96Å |
| 251 | S | 61.6 | Low | 71.2 | Confident | 78 Ų | 78 | 115.8 Ų | 115.8 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.5 | -11.4 | -178.1 | 62.3 | 0 | 0 | 0 | 0 | 115.4 | L249 | L249-S251 PolarHBondContact O-N 2.82Å |
| 252 | L | 57.2 | Low | 69.8 | Low | 81 Ų | 81 | 119.8 Ų | 119.8 | 42% | 0.424 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -108.2 | -10.9 | 174.8 | -68.9 | 173.6 | 0 | 0 | 0 | 113.1 | V246 L249 P250 E254 | V246-L252 HydrophobicContact CG1-CD1 3.61Å; L249-L252 PolarHBondContact O-N 2.96Å; P250-L252 PolarHBondContact O-N 3.08Å; L252-E254 VanDerWaalsContact C-N 3.33Å |
| 253 | R | 56 | Low | 68.2 | Low | 177 Ų | 177 | 121.6 Ų | 121.6 | 67% | 0.668 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.7 | -25.1 | 172.5 | -80.7 | -176.2 | 173.1 | -157 | -3.8 | 112.5 | P250 | P250-R253 PolarHBondContact O-N 2.96Å |
| 254 | E | 57.3 | Low | 66.8 | Low | 149 Ų | 149 | 123 Ų | 123 | 70% | 0.696 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -78.5 | -17.9 | -179.5 | -66.3 | 178.6 | 176.2 | 0 | 0 | 113.2 | L252 | L252-E254 VanDerWaalsContact C-N 3.33Š|
| 255 | E | 56.7 | Low | 65.2 | Low | 152 Ų | 152 | 123.4 Ų | 123.4 | 71% | 0.71 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -91.4 | -13.5 | 177.5 | -66.9 | -170 | 160.8 | 0 | 0 | 113.9 | ||
| 256 | E | 54.3 | Low | 63.3 | Low | 177 Ų | 177 | 127.2 Ų | 127.2 | 83% | 0.827 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -90.2 | -12.7 | 175.3 | -92.2 | -173.5 | 159 | 0 | 0 | 113.8 | ||
| 257 | E | 51 | Low | 61.4 | Low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 67% | 0.669 | S | S | * | * | trans | -96.1 | 13.6 | 177.6 | -76.8 | -171.9 | 162.5 | 0 | 0 | 114.1 | ||||
| 258 | Q | 38.4 | Very low | 59.7 | Low | 242 Ų | 242 | 138.8 Ų | 138.8 | 100% | 1.131 | 69% | 0.689 | S | S | * | * | trans | -111.8 | 0 | 171.8 | -91.6 | -177.8 | 5.6 | 0 | 0 | 113.8 |
Retrieved 258 of 258 residues in 126.3 ms
(Link to these results)