| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.4 | Very low | 41.2 | Very low | 235 Ų | 235 | 142 Ų | 142 | 100% | 1.158 | 89% | 0.885 | S | S | * | * | 0 | 115.4 | 0 | -72.4 | -58.4 | 179.8 | 0 | 0 | 108.8 | |||||
| 2 | P | 46.9 | Very low | 40.8 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 83% | 0.831 | 88% | 0.879 | S | S | * | * | trans | -91.3 | 142.7 | -174.3 | 34.9 | -29.5 | 0 | 0 | 0 | 111.5 | ||||
| 3 | G | 42.8 | Very low | 40.4 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 85% | 0.845 | 87% | 0.868 | S | S | * | * | trans | -132 | 89.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 4 | A | 48.5 | Very low | 40 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 75% | 0.752 | 86% | 0.864 | S | S | * | * | trans | -74.1 | 138.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 5 | N | 45.7 | Very low | 40.1 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 89% | 0.888 | 87% | 0.867 | S | S | * | * | trans | -147 | 110.2 | 144.2 | -135.9 | -1.5 | 0 | 0 | 0 | 111.6 | ||||
| 6 | R | 41 | Very low | 40 | Very low | 230 Ų | 230 | 143.8 Ų | 143.8 | 87% | 0.868 | 87% | 0.867 | S | S | * | * | trans | -84.2 | 136.2 | 172.7 | -64.4 | 176.8 | -176.2 | -174.8 | 0.2 | 108 | ||||
| 7 | R | 40.3 | Very low | 39.9 | Very low | 256 Ų | 256 | 142.5 Ų | 142.5 | 97% | 0.966 | 86% | 0.863 | S | S | * | * | trans | -128.1 | 112.6 | 149.9 | -101.3 | -175.1 | 176.4 | -166.9 | -0.6 | 109.6 | ||||
| 8 | A | 36.5 | Very low | 39.9 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 89% | 0.893 | 87% | 0.868 | S | S | * | * | trans | -71.6 | 145.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 9 | G | 36.5 | Very low | 39.5 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 84% | 0.835 | 86% | 0.862 | S | S | * | * | trans | -177.2 | 71.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 10 | A | 38.1 | Very low | 39.2 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | trans | -145.7 | 106.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | A12 | A10-A12 PolarHBondContact O-N 3.44Å; A10-A12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | G | 36.1 | Very low | 39 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 89% | 0.887 | 86% | 0.859 | S | S | * | * | trans | -63.6 | 108.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G13 | G11-G13 PolarHBondContact O-N 3.01Š| ||
| 12 | A | 35.8 | Very low | 38.5 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 81% | 0.81 | 84% | 0.841 | S | S | * | * | trans | -74.8 | 105.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | A10 A14 | A10-A12 PolarHBondContact O-N 3.44Å; A10-A12 VanDerWaalsContact O-N 3.16Å; A12-A14 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | G | 35.8 | Very low | 38.1 | Very low | 71 Ų | 71 | 148.4 Ų | 148.4 | 73% | 0.732 | 85% | 0.846 | S | S | * | * | trans | -61.4 | 110.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G11 R15 | G11-G13 PolarHBondContact O-N 3.01Å; G13-R15 PolarHBondContact O-N 2.89Å | ||
| 14 | A | 35.3 | Very low | 37.6 | Very low | 98 Ų | 98 | 153.2 Ų | 153.2 | 81% | 0.81 | 85% | 0.847 | S | S | * | * | trans | -61.8 | 98.1 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | A12 R16 | A12-A14 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact O-N 3.12Å; A14-R16 PolarHBondContact O-N 3.33Å | ||
| 15 | R | 41.3 | Very low | 36.8 | Very low | 240 Ų | 240 | 157.8 Ų | 157.8 | 91% | 0.906 | 85% | 0.853 | S | S | * | * | trans | -69.7 | 113.4 | 159.5 | -74.3 | -177.7 | 173.4 | -160.5 | -1.1 | 106.9 | G13 | G13-R15 PolarHBondContact O-N 2.89Š| ||
| 16 | R | 37.9 | Very low | 36.3 | Very low | 231 Ų | 231 | 158.2 Ų | 158.2 | 87% | 0.872 | 86% | 0.855 | S | S | * | * | trans | -58.8 | 133.5 | 171.2 | -69 | -176 | 174.8 | -147.5 | -1 | 109.3 | A14 | A14-R16 PolarHBondContact O-N 3.33Š| ||
| 17 | P | 38.8 | Very low | 35.8 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 80% | 0.799 | 85% | 0.849 | S | S | * | * | trans | -67.4 | 138.5 | 175 | 27.4 | -31.4 | 0 | 0 | 0 | 109.8 | G19 | P17-G19 PolarHBondContact O-N 3.18Å; P17-G19 VanDerWaalsContact O-N 3.14Å | ||
| 18 | R | 39.7 | Very low | 35.5 | Very low | 252 Ų | 252 | 147.9 Ų | 147.9 | 95% | 0.951 | 85% | 0.847 | S | S | * | * | trans | -62.7 | 110.4 | 168.3 | -74.8 | 179.3 | 174.1 | -178.8 | -3.4 | 107.5 | ||||
| 19 | G | 31.8 | Very low | 35.2 | Very low | 73 Ų | 73 | 146.5 Ų | 146.5 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | trans | -63.3 | 146.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P17 | P17-G19 PolarHBondContact O-N 3.18Å; P17-G19 VanDerWaalsContact O-N 3.14Å | ||
| 20 | A | 33.4 | Very low | 35.1 | Very low | 89 Ų | 89 | 150.5 Ų | 150.5 | 74% | 0.736 | 85% | 0.845 | S | S | * | * | trans | -57.6 | 153.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D22 | A20-D22 PolarHBondContact O-N 3.15Š| ||
| 21 | R | 35.7 | Very low | 34.9 | Very low | 247 Ų | 247 | 153.6 Ų | 153.6 | 93% | 0.932 | 84% | 0.842 | S | S | * | * | trans | -74.1 | 103.8 | 169.9 | -70.2 | 172.8 | 173.9 | 178.1 | -4.7 | 107.9 | ||||
| 22 | D | 30.4 | Very low | 35.4 | Very low | 147 Ų | 147 | 154.5 Ų | 154.5 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | trans | -92.6 | 123.3 | 157.4 | -67.8 | -37.3 | 0 | 0 | 0 | 107.9 | A20 E24 | A20-D22 PolarHBondContact O-N 3.15Å; D22-E24 PolarHBondContact O-N 3.23Å | ||
| 23 | R | 39.1 | Very low | 36.1 | Very low | 248 Ų | 248 | 151.6 Ų | 151.6 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -82 | 105 | 177.8 | -178.4 | -171.9 | -171.3 | -165.1 | 1.3 | 105.8 | ||||
| 24 | E | 31.4 | Very low | 36.8 | Very low | 183 Ų | 183 | 151 Ų | 151 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -111 | 138.5 | 167.6 | -70 | -152.3 | 165.8 | 0 | 0 | 110 | D22 | D22-E24 PolarHBondContact O-N 3.23Š| ||
| 25 | E | 31.6 | Very low | 37.6 | Very low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -73.5 | 151.1 | -170.8 | -62.9 | 177.8 | 149.7 | 0 | 0 | 111.7 | G27 | E25-G27 PolarHBondContact O-N 2.93Š| ||
| 26 | D | 35.8 | Very low | 38.4 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -59.8 | 121.5 | 175.8 | -60.3 | -65.1 | 0 | 0 | 0 | 110.9 | ||||
| 27 | G | 31.1 | Very low | 39.5 | Very low | 72 Ų | 72 | 138.8 Ų | 138.8 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | -138 | 104.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | E25 G29 | E25-G27 PolarHBondContact O-N 2.93Å; G27-G29 PolarHBondContact O-N 3.48Å; G27-G29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | E | 33.9 | Very low | 40.6 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -59.2 | 109.2 | 179.2 | -64.3 | -179.7 | 156.9 | 0 | 0 | 111.6 | L30 | E28-L30 PolarHBondContact O-N 2.89Š| ||
| 29 | G | 30 | Very low | 41.8 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | trans | -84.7 | 101.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G27 | G27-G29 PolarHBondContact O-N 3.48Å; G27-G29 VanDerWaalsContact O-N 3.16Å | ||
| 30 | L | 34.9 | Very low | 43.3 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | trans | -69.9 | 122.9 | 169.9 | -80.3 | 153 | 0 | 0 | 0 | 111.2 | E28 P32 | E28-L30 PolarHBondContact O-N 2.89Å; L30-P32 WeakPolarHBondContact O-CD 3.42Å | ||
| 31 | E | 32.7 | Very low | 45.1 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | trans | -52.5 | 117 | 172.4 | -80.3 | -80.8 | 137.9 | 0 | 0 | 113.1 | G33 | E31-G33 VanDerWaalsContact C-N 3.28Å; E31-G33 PolarHBondContact O-N 3.23Å | ||
| 32 | P | 46.3 | Very low | 46.7 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 69% | 0.688 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -81.2 | -2.2 | -179.8 | 30.9 | -32.7 | 0 | 0 | 0 | 114 | L30 | L30-P32 WeakPolarHBondContact O-CD 3.42Å |
| 33 | G | 50.2 | Low | 48.8 | Very low | 36 Ų | 36 | 120.8 Ų | 120.8 | 37% | 0.371 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -74.8 | -25.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E31 R37 | E31-G33 VanDerWaalsContact C-N 3.28Å; E31-G33 PolarHBondContact O-N 3.23Å; G33-R37 WeakPolarHBondContact O-CG 3.35Å |
| 34 | A | 50.5 | Low | 50.6 | Low | 58 Ų | 58 | 113.2 Ų | 113.2 | 48% | 0.479 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -75.3 | -48.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A36 R37 D38 | A34-A36 VanDerWaalsContact C-N 3.33Å; A34-A36 PolarHBondContact O-N 3.01Å; A34-R37 PolarHBondContact O-N 3.07Å; A34-D38 PolarHBondContact O-N 3.37Å |
| 35 | A | 53.7 | Low | 53 | Low | 57 Ų | 57 | 111.1 Ų | 111.1 | 47% | 0.471 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -59.3 | -38.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D38 L39 | A35-D38 PolarHBondContact O-N 3.42Å; A35-L39 WeakPolarHBondContact O-CB 3.29Å; A35-L39 VanDerWaalsContact O-CG 3.27Å; A35-L39 WeakPolarHBondContact O-CG 3.33Å; A35-L39 PolarHBondContact O-N 2.82Å |
| 36 | A | 57.1 | Low | 55.5 | Low | 61 Ų | 61 | 106.4 Ų | 106.4 | 50% | 0.504 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.8 | -32.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A34 L40 | A34-A36 VanDerWaalsContact C-N 3.33Å; A34-A36 PolarHBondContact O-N 3.01Å; A36-L40 WeakPolarHBondContact O-CB 3.29Å; A36-L40 PolarHBondContact O-N 3.31Å; A36-L40 VanDerWaalsContact O-N 3.14Å |
| 37 | R | 60.8 | Low | 58.1 | Low | 195 Ų | 195 | 100.9 Ų | 100.9 | 74% | 0.736 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -75 | -37.1 | 176.6 | -72.2 | 177 | 173.9 | -175.1 | 0.2 | 111.7 | G33 A34 L40 R41 | G33-R37 WeakPolarHBondContact O-CG 3.35Å; A34-R37 PolarHBondContact O-N 3.07Å; R37-L40 PolarHBondContact O-N 2.75Å; R37-R41 WeakPolarHBondContact O-CB 3.49Å; R37-R41 PolarHBondContact O-N 2.94Å |
| 38 | D | 63.5 | Low | 60.5 | Low | 105 Ų | 105 | 105.3 Ų | 105.3 | 56% | 0.561 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.9 | -37 | 177.1 | -65.7 | -28.6 | 0 | 0 | 0 | 111.4 | A34 A35 R41 G42 | A34-D38 PolarHBondContact O-N 3.37Å; A35-D38 PolarHBondContact O-N 3.42Å; D38-R41 PolarHBondContact O-N 3.18Å; D38-G42 PolarHBondContact O-N 3.47Å |
| 39 | L | 63.5 | Low | 63.2 | Low | 120 Ų | 120 | 102.5 Ų | 102.5 | 63% | 0.628 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.6 | -40.6 | 171.6 | -73.5 | 169.8 | 0 | 0 | 0 | 112.7 | A35 R41 G42 T43 | A35-L39 WeakPolarHBondContact O-CB 3.29Å; A35-L39 VanDerWaalsContact O-CG 3.27Å; A35-L39 WeakPolarHBondContact O-CG 3.33Å; A35-L39 PolarHBondContact O-N 2.82Å; L39-R41 VanDerWaalsContact C-N 3.33Å; L39-R41 PolarHBondContact O-N 3.42Å; L39-G42 PolarHBondContact O-N 2.97Å; L39-T43 WeakPolarHBondContact O-CG2 3.47Å; L39-T43 PolarHBondContact O-N 3.23Å; L39-T43 PolarHBondContact O-OG1 3.37Å |
| 40 | L | 64.9 | Low | 66 | Low | 78 Ų | 78 | 102.8 Ų | 102.8 | 41% | 0.408 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.8 | -34.9 | 176.3 | -172 | 66.9 | 0 | 0 | 0 | 112.2 | A36 R37 T43 S44 V67 | A36-L40 WeakPolarHBondContact O-CB 3.29Å; A36-L40 PolarHBondContact O-N 3.31Å; A36-L40 VanDerWaalsContact O-N 3.14Å; R37-L40 PolarHBondContact O-N 2.75Å; L40-T43 WeakPolarHBondContact CA-OG1 3.47Å; L40-T43 PolarHBondContact O-OG1 3.33Å; L40-T43 VanDerWaalsContact O-OG1 3.06Å; L40-S44 PolarHBondContact O-N 3.05Å; L40-S44 PolarHBondContact O-OG 3.36Å; L40-V67 HydrophobicContact CD1-CG1 4.18Å |
| 41 | R | 69.6 | Low | 68.5 | Low | 183 Ų | 183 | 96.7 Ų | 96.7 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.2 | -38.1 | 172 | -172.9 | -178.9 | -65.7 | -91.8 | -0.1 | 111.2 | R37 D38 L39 S44 | R37-R41 WeakPolarHBondContact O-CB 3.49Å; R37-R41 PolarHBondContact O-N 2.94Å; D38-R41 PolarHBondContact O-N 3.18Å; L39-R41 VanDerWaalsContact C-N 3.33Å; L39-R41 PolarHBondContact O-N 3.42Å; R41-S44 PolarHBondContact O-N 3.42Å |
| 42 | G | 70.9 | Confident | 71.2 | Confident | 36 Ų | 36 | 93.5 Ų | 93.5 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D38 L39 S44 N45 M46 | D38-G42 PolarHBondContact O-N 3.47Å; L39-G42 PolarHBondContact O-N 2.97Å; G42-S44 PolarHBondContact O-N 2.94Å; G42-N45 PolarHBondContact O-N 2.87Å; G42-N45 VanDerWaalsContact O-N 3.17Å; G42-M46 WeakPolarHBondContact O-CG 3.29Å |
| 43 | T | 73.3 | Confident | 73.3 | Confident | 32 Ų | 32 | 93.6 Ų | 93.6 | 20% | 0.196 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -67.2 | -21.6 | 177.2 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | L39 L40 N45 L51 | L39-T43 WeakPolarHBondContact O-CG2 3.47Å; L39-T43 PolarHBondContact O-N 3.23Å; L39-T43 PolarHBondContact O-OG1 3.37Å; L40-T43 WeakPolarHBondContact CA-OG1 3.47Å; L40-T43 PolarHBondContact O-OG1 3.33Å; L40-T43 VanDerWaalsContact O-OG1 3.06Å; T43-N45 VanDerWaalsContact C-N 3.28Å; T43-N45 PolarHBondContact O-N 3.35Å; T43-L51 HydrophobicContact CG2-CD2 4.36Å |
| 44 | S | 77.4 | Confident | 75 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -72.2 | -20.7 | 175.4 | -60 | 0 | 0 | 0 | 0 | 113.3 | L40 R41 G42 | L40-S44 PolarHBondContact O-N 3.05Å; L40-S44 PolarHBondContact O-OG 3.36Å; R41-S44 PolarHBondContact O-N 3.42Å; G42-S44 PolarHBondContact O-N 2.94Å |
| 45 | N | 81.6 | Confident | 76.9 | Confident | 140 Ų | 140 | 94.7 Ų | 94.7 | 75% | 0.749 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -102.2 | -3.4 | -179.9 | -72 | -9.2 | 0 | 0 | 0 | 113.6 | G42 T43 | G42-N45 PolarHBondContact O-N 2.87Å; G42-N45 VanDerWaalsContact O-N 3.17Å; T43-N45 VanDerWaalsContact C-N 3.28Å; T43-N45 PolarHBondContact O-N 3.35Å |
| 46 | M | 83.7 | Confident | 78.5 | Confident | 88 Ų | 88 | 96.2 Ų | 96.2 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -80.5 | 148.1 | 177.8 | -60.5 | -58.3 | -74.2 | 0 | 0 | 110.9 | G42 E50 L51 | G42-M46 WeakPolarHBondContact O-CG 3.29Å; M46-E50 HydrophobicContact CB-CB 4.26Å; M46-E50 HydrophobicContact CE-CB 3.8Å; M46-E50 VanDerWaalsContact CE-CD 3.42Å; M46-E50 HydrophobicContact CE-CG 4.02Å; M46-E50 WeakPolarHBondContact CE-OE2 3.46Å; M46-L51 HydrophobicContact CB-CD2 3.99Å; M46-L51 HydrophobicContact CB-CG 4.14Å |
| 47 | S | 90.1 | Very high | 80 | Confident | 59 Ų | 59 | 100.6 Ų | 100.6 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | trans | -67.2 | 157.3 | 173.6 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | E49 E50 L51 | S47-E49 PolarHBondContact O-N 3.09Å; S47-E50 WeakPolarHBondContact CB-OE2 3.44Å; S47-E50 PolarHBondContact N-OE2 3.43Å; S47-E50 PolarHBondContact O-N 2.93Å; S47-E50 VanDerWaalsContact OG-CG 3.3Å; S47-E50 WeakPolarHBondContact OG-CG 3.45Å; S47-E50 PolarHBondContact OG-OE2 2.89Å; S47-L51 PolarHBondContact O-N 3.48Å; S47-L51 VanDerWaalsContact O-N 3.08Å | ||
| 48 | F | 82.3 | Confident | 81.2 | Confident | 165 Ų | 165 | 94.6 Ų | 94.6 | 72% | 0.724 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.8 | -34.5 | -178 | 177.3 | -105.4 | 0 | 0 | 0 | 113 | L51 L52 | F48-L51 PolarHBondContact O-N 3.41Å; F48-L52 PolarHBondContact O-N 3.32Å; F48-L52 VanDerWaalsContact O-N 3.09Å |
| 49 | E | 90.3 | Very high | 82.4 | Confident | 138 Ų | 138 | 90.9 Ų | 90.9 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.7 | -45.9 | 177.7 | -171.1 | 166.5 | -165.5 | 0 | 0 | 111.3 | S47 L51 L52 E53 | S47-E49 PolarHBondContact O-N 3.09Å; E49-L51 VanDerWaalsContact C-N 3.31Å; E49-L51 PolarHBondContact O-N 2.97Å; E49-L52 WeakPolarHBondContact O-CB 3.49Å; E49-L52 PolarHBondContact O-N 2.87Å; E49-L52 VanDerWaalsContact O-N 3.11Å; E49-E53 PolarHBondContact O-N 3.06Å |
| 50 | E | 89.1 | Confident | 83.4 | Confident | 85 Ų | 85 | 88.7 Ų | 88.7 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 176.7 | -67.6 | 164.6 | 143.1 | 0 | 0 | 112.2 | M46 S47 L52 L54 | M46-E50 HydrophobicContact CB-CB 4.26Å; M46-E50 HydrophobicContact CE-CB 3.8Å; M46-E50 VanDerWaalsContact CE-CD 3.42Å; M46-E50 HydrophobicContact CE-CG 4.02Å; M46-E50 WeakPolarHBondContact CE-OE2 3.46Å; S47-E50 WeakPolarHBondContact CB-OE2 3.44Å; S47-E50 PolarHBondContact N-OE2 3.43Å; S47-E50 PolarHBondContact O-N 2.93Å; S47-E50 VanDerWaalsContact OG-CG 3.3Å; S47-E50 WeakPolarHBondContact OG-CG 3.45Å; S47-E50 PolarHBondContact OG-OE2 2.89Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L54 WeakPolarHBondContact O-CB 3.47Å; E50-L54 PolarHBondContact O-N 3.36Å |
| 51 | L | 87.1 | Confident | 84 | Confident | 37 Ų | 37 | 93.7 Ų | 93.7 | 19% | 0.194 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67.4 | -36 | 174.2 | -68.3 | 178.4 | 0 | 0 | 0 | 112.2 | T43 M46 S47 F48 E49 Q55 | T43-L51 HydrophobicContact CG2-CD2 4.36Å; M46-L51 HydrophobicContact CB-CD2 3.99Å; M46-L51 HydrophobicContact CB-CG 4.14Å; S47-L51 PolarHBondContact O-N 3.48Å; S47-L51 VanDerWaalsContact O-N 3.08Å; F48-L51 PolarHBondContact O-N 3.41Å; E49-L51 VanDerWaalsContact C-N 3.31Å; E49-L51 PolarHBondContact O-N 2.97Å; L51-Q55 WeakPolarHBondContact O-CB 3.31Å; L51-Q55 PolarHBondContact O-N 2.9Å |
| 52 | L | 88.6 | Confident | 84.6 | Confident | 97 Ų | 97 | 88 Ų | 88 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.7 | -42.5 | 178.2 | -171.8 | 64.7 | 0 | 0 | 0 | 111.1 | F48 E49 E50 Q55 S56 | F48-L52 PolarHBondContact O-N 3.32Å; F48-L52 VanDerWaalsContact O-N 3.09Å; E49-L52 WeakPolarHBondContact O-CB 3.49Å; E49-L52 PolarHBondContact O-N 2.87Å; E49-L52 VanDerWaalsContact O-N 3.11Å; E50-L52 VanDerWaalsContact C-N 3.34Å; L52-Q55 PolarHBondContact O-N 3.06Å; L52-S56 PolarHBondContact O-N 3.09Å |
| 53 | E | 90.8 | Very high | 85.2 | Confident | 108 Ų | 108 | 88 Ų | 88 | 51% | 0.505 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 172.9 | -82.8 | -174.9 | 155.5 | 0 | 0 | 111.2 | E49 Q55 S56 Q57 | E49-E53 PolarHBondContact O-N 3.06Å; E53-Q55 VanDerWaalsContact C-N 3.34Å; E53-Q55 PolarHBondContact O-N 3.46Å; E53-S56 WeakPolarHBondContact O-CA 3.31Å; E53-S56 WeakPolarHBondContact O-CB 3.42Å; E53-S56 PolarHBondContact O-N 2.88Å; E53-S56 PolarHBondContact O-OG 3.04Å; E53-Q57 WeakPolarHBondContact O-CG 3.28Å; E53-Q57 PolarHBondContact O-N 2.79Å |
| 54 | L | 86.4 | Confident | 85.7 | Confident | 62 Ų | 62 | 92.9 Ų | 92.9 | 33% | 0.325 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.7 | -169 | 141.9 | 0 | 0 | 0 | 111.2 | E50 S56 Q57 V58 Y63 | E50-L54 WeakPolarHBondContact O-CB 3.47Å; E50-L54 PolarHBondContact O-N 3.36Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 3.37Å; L54-Q57 PolarHBondContact O-N 3.43Å; L54-V58 HydrophobicContact CD2-CG2 4.05Å; L54-V58 WeakPolarHBondContact O-CG2 3.39Å; L54-V58 PolarHBondContact O-N 3.15Å; L54-Y63 HydrophobicContact CD2-CD2 3.43Å; L54-Y63 VanDerWaalsContact CD2-CD2 3.43Å; L54-Y63 HydrophobicContact CD2-CE2 3.58Å |
| 55 | Q | 89.4 | Confident | 85.8 | Confident | 54 Ų | 54 | 94 Ų | 94 | 25% | 0.252 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -33.8 | 174.4 | -176.9 | 178.6 | -14.7 | 0 | 0 | 112.5 | L51 L52 E53 G59 T60 Y63 | L51-Q55 WeakPolarHBondContact O-CB 3.31Å; L51-Q55 PolarHBondContact O-N 2.9Å; L52-Q55 PolarHBondContact O-N 3.06Å; E53-Q55 VanDerWaalsContact C-N 3.34Å; E53-Q55 PolarHBondContact O-N 3.46Å; Q55-G59 CarbonylContact O-C 3.56Å; Q55-G59 VanDerWaalsContact O-C 3.23Å; Q55-G59 WeakPolarHBondContact O-CA 3.48Å; Q55-G59 PolarHBondContact O-N 2.87Å; Q55-T60 HydrophobicContact CG-CG2 3.97Å; Q55-T60 VanDerWaalsContact NE2-CG2 3.3Å; Q55-Y63 HydrophobicContact CB-CD1 4.09Å; Q55-Y63 HydrophobicContact CB-CE1 4.46Å; Q55-Y63 HydrophobicContact CB-CG 4.16Å; Q55-Y63 HydrophobicContact CG-CD1 3.93Å; Q55-Y63 HydrophobicContact CG-CG 4.22Å |
| 56 | S | 89 | Confident | 85.5 | Confident | 89 Ų | 89 | 93.2 Ų | 93.2 | 62% | 0.622 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73 | -39.3 | 177.5 | 81.7 | 0 | 0 | 0 | 0 | 112.2 | L52 E53 L54 | L52-S56 PolarHBondContact O-N 3.09Å; E53-S56 WeakPolarHBondContact O-CA 3.31Å; E53-S56 WeakPolarHBondContact O-CB 3.42Å; E53-S56 PolarHBondContact O-N 2.88Å; E53-S56 PolarHBondContact O-OG 3.04Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 3.37Å |
| 57 | Q | 88.4 | Confident | 85.2 | Confident | 153 Ų | 153 | 91.7 Ų | 91.7 | 72% | 0.715 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.3 | -51.2 | 179.8 | -70.7 | 177.5 | 7.8 | 0 | 0 | 112.7 | E53 L54 | E53-Q57 WeakPolarHBondContact O-CG 3.28Å; E53-Q57 PolarHBondContact O-N 2.79Å; L54-Q57 PolarHBondContact O-N 3.43Å |
| 58 | V | 85.8 | Confident | 84.2 | Confident | 70 Ų | 70 | 92.8 Ų | 92.8 | 42% | 0.424 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -81.6 | -22.1 | -178.5 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | L54 T62 Y63 | L54-V58 HydrophobicContact CD2-CG2 4.05Å; L54-V58 WeakPolarHBondContact O-CG2 3.39Å; L54-V58 PolarHBondContact O-N 3.15Å; V58-T62 VanDerWaalsContact C-OG1 3.25Å; V58-T62 PolarHBondContact O-OG1 2.96Å; V58-Y63 HydrophobicContact CG2-CD2 4.44Å |
| 59 | G | 87.6 | Confident | 83.3 | Confident | 27 Ų | 27 | 86.8 Ų | 86.8 | 28% | 0.278 | 47% | 0.468 | S | S | . | . | trans | 93.6 | 150.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q55 K61 T62 Y63 | Q55-G59 CarbonylContact O-C 3.56Å; Q55-G59 VanDerWaalsContact O-C 3.23Å; Q55-G59 WeakPolarHBondContact O-CA 3.48Å; Q55-G59 PolarHBondContact O-N 2.87Å; G59-K61 VanDerWaalsContact C-N 3.3Å; G59-K61 PolarHBondContact O-N 3.48Å; G59-T62 PolarHBondContact O-OG1 3.32Å; G59-Y63 WeakPolarHBondContact O-CB 3.42Å; G59-Y63 PolarHBondContact O-N 3.35Å | ||
| 60 | T | 84.3 | Confident | 81.9 | Confident | 74 Ų | 74 | 86.4 Ų | 86.4 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.1 | -27.8 | -172 | 65.1 | 0 | 0 | 0 | 0 | 114.8 | Q55 K64 | Q55-T60 HydrophobicContact CG-CG2 3.97Å; Q55-T60 VanDerWaalsContact NE2-CG2 3.3Å; T60-K64 WeakPolarHBondContact O-CB 3.44Å; T60-K64 WeakPolarHBondContact O-CD 3.32Å; T60-K64 WeakPolarHBondContact O-CG 3.43Å; T60-K64 PolarHBondContact O-N 3.41Å |
| 61 | K | 79.1 | Confident | 80.4 | Confident | 182 Ų | 182 | 86.7 Ų | 86.7 | 79% | 0.791 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -78.8 | -44.7 | -177.2 | -69.4 | 179.5 | 179.5 | 174.5 | 0 | 112.1 | G59 Q65 | G59-K61 VanDerWaalsContact C-N 3.3Å; G59-K61 PolarHBondContact O-N 3.48Å; K61-Q65 PolarHBondContact O-N 3.46Å |
| 62 | T | 81.7 | Confident | 79 | Confident | 64 Ų | 64 | 90.7 Ų | 90.7 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.9 | -43.8 | 177.9 | 49.3 | 0 | 0 | 0 | 0 | 110.3 | V58 G59 K64 Q65 L66 | V58-T62 VanDerWaalsContact C-OG1 3.25Å; V58-T62 PolarHBondContact O-OG1 2.96Å; G59-T62 PolarHBondContact O-OG1 3.32Å; T62-K64 PolarHBondContact O-N 3.24Å; T62-Q65 WeakPolarHBondContact O-CB 3.37Å; T62-Q65 PolarHBondContact O-N 2.99Å; T62-Q65 VanDerWaalsContact O-N 3.12Å; T62-L66 WeakPolarHBondContact O-CG 3.26Å; T62-L66 PolarHBondContact O-N 3.06Å |
| 63 | Y | 83.1 | Confident | 77.2 | Confident | 36 Ų | 36 | 95.5 Ų | 95.5 | 14% | 0.141 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 174.9 | 179.4 | -108.9 | 0 | 0 | 0 | 112.2 | L54 Q55 V58 G59 Q65 L66 V67 | L54-Y63 HydrophobicContact CD2-CD2 3.43Å; L54-Y63 VanDerWaalsContact CD2-CD2 3.43Å; L54-Y63 HydrophobicContact CD2-CE2 3.58Å; Q55-Y63 HydrophobicContact CB-CD1 4.09Å; Q55-Y63 HydrophobicContact CB-CE1 4.46Å; Q55-Y63 HydrophobicContact CB-CG 4.16Å; Q55-Y63 HydrophobicContact CG-CD1 3.93Å; Q55-Y63 HydrophobicContact CG-CG 4.22Å; V58-Y63 HydrophobicContact CG2-CD2 4.44Å; G59-Y63 WeakPolarHBondContact O-CB 3.42Å; G59-Y63 PolarHBondContact O-N 3.35Å; Y63-Q65 VanDerWaalsContact C-N 3.28Å; Y63-Q65 PolarHBondContact O-N 3.11Å; Y63-L66 PolarHBondContact O-N 2.9Å; Y63-V67 HydrophobicContact CD1-CG2 4.47Å; Y63-V67 HydrophobicContact CD2-CG2 4.12Å; Y63-V67 HydrophobicContact CE1-CG2 4.08Å; Y63-V67 HydrophobicContact CE2-CG2 3.69Å; Y63-V67 HydrophobicContact CG-CG2 4.5Å; Y63-V67 WeakPolarHBondContact O-CG2 3.29Å; Y63-V67 PolarHBondContact O-N 3.07Å |
| 64 | K | 82.9 | Confident | 75.2 | Confident | 134 Ų | 134 | 99.4 Ų | 99.4 | 58% | 0.583 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.1 | -35.6 | 177.3 | -76 | 176.2 | -177.3 | -177.7 | 0 | 112.7 | T60 T62 A68 | T60-K64 WeakPolarHBondContact O-CB 3.44Å; T60-K64 WeakPolarHBondContact O-CD 3.32Å; T60-K64 WeakPolarHBondContact O-CG 3.43Å; T60-K64 PolarHBondContact O-N 3.41Å; T62-K64 PolarHBondContact O-N 3.24Å; K64-A68 WeakPolarHBondContact O-CB 3.46Å; K64-A68 PolarHBondContact O-N 3.41Å |
| 65 | Q | 80.5 | Confident | 73.4 | Confident | 112 Ų | 112 | 105.8 Ų | 105.8 | 52% | 0.523 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.6 | -38.9 | 178.2 | -172.5 | 170.5 | 11.9 | 0 | 0 | 112 | K61 T62 Y63 G69 N70 | K61-Q65 PolarHBondContact O-N 3.46Å; T62-Q65 WeakPolarHBondContact O-CB 3.37Å; T62-Q65 PolarHBondContact O-N 2.99Å; T62-Q65 VanDerWaalsContact O-N 3.12Å; Y63-Q65 VanDerWaalsContact C-N 3.28Å; Y63-Q65 PolarHBondContact O-N 3.11Å; Q65-G69 PolarHBondContact O-N 3.36Å; Q65-N70 WeakPolarHBondContact CG-OD1 3.4Å; Q65-N70 PolarHBondContact NE2-OD1 2.91Å |
| 66 | L | 75.3 | Confident | 71.7 | Confident | 123 Ų | 123 | 107.2 Ų | 107.2 | 64% | 0.644 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.7 | -44.3 | 175.9 | -68.9 | 168.3 | 0 | 0 | 0 | 111.7 | T62 Y63 | T62-L66 WeakPolarHBondContact O-CG 3.26Å; T62-L66 PolarHBondContact O-N 3.06Å; Y63-L66 PolarHBondContact O-N 2.9Å |
| 67 | V | 76.5 | Confident | 69.9 | Low | 57 Ų | 57 | 107.3 Ų | 107.3 | 35% | 0.345 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74.5 | -41.9 | -178.9 | 175.4 | 0 | 0 | 0 | 0 | 112.7 | L40 Y63 G69 | L40-V67 HydrophobicContact CD1-CG1 4.18Å; Y63-V67 HydrophobicContact CD1-CG2 4.47Å; Y63-V67 HydrophobicContact CD2-CG2 4.12Å; Y63-V67 HydrophobicContact CE1-CG2 4.08Å; Y63-V67 HydrophobicContact CE2-CG2 3.69Å; Y63-V67 HydrophobicContact CG-CG2 4.5Å; Y63-V67 WeakPolarHBondContact O-CG2 3.29Å; Y63-V67 PolarHBondContact O-N 3.07Å; V67-G69 PolarHBondContact O-N 3.33Å |
| 68 | A | 70.9 | Confident | 68.5 | Low | 81 Ų | 81 | 110.6 Ų | 110.6 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.8 | -8.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | K64 | K64-A68 WeakPolarHBondContact O-CB 3.46Å; K64-A68 PolarHBondContact O-N 3.41Å |
| 69 | G | 63.3 | Low | 67.2 | Low | 40 Ų | 40 | 112 Ų | 112 | 41% | 0.412 | 62% | 0.616 | S | S | . | * | trans | 66.8 | 142.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q65 V67 S71 | Q65-G69 PolarHBondContact O-N 3.36Å; V67-G69 PolarHBondContact O-N 3.33Å; G69-S71 PolarHBondContact O-N 2.95Å | ||
| 70 | N | 59.6 | Low | 65.4 | Low | 129 Ų | 129 | 115.8 Ų | 115.8 | 69% | 0.69 | 64% | 0.636 | S | S | * | * | trans | -70.7 | 76.3 | 171 | -81.7 | -6.1 | 0 | 0 | 0 | 110.1 | Q65 | Q65-N70 WeakPolarHBondContact CG-OD1 3.4Å; Q65-N70 PolarHBondContact NE2-OD1 2.91Å | ||
| 71 | S | 57.8 | Low | 64 | Low | 91 Ų | 91 | 118.7 Ų | 118.7 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | trans | -77.9 | 127 | 163.4 | 57.3 | 0 | 0 | 0 | 0 | 108.1 | G69 K73 | G69-S71 PolarHBondContact O-N 2.95Å; S71-K73 PolarHBondContact O-N 3.12Å | ||
| 72 | P | 57.4 | Low | 62.9 | Low | 121 Ų | 121 | 118.3 Ų | 118.3 | 79% | 0.786 | 65% | 0.648 | S | S | * | * | trans | -60.3 | 117.9 | 179.8 | 23.9 | -32 | 0 | 0 | 0 | 108.2 | K74 | P72-K74 PolarHBondContact O-N 2.67Š| ||
| 73 | K | 51.2 | Low | 61.7 | Low | 198 Ų | 198 | 121.5 Ų | 121.5 | 86% | 0.861 | 66% | 0.663 | S | S | * | * | trans | -56.1 | 102.6 | 172.7 | -71.2 | -175.6 | 178.9 | 178.3 | 0 | 107.8 | S71 Q75 | S71-K73 PolarHBondContact O-N 3.12Å; K73-Q75 VanDerWaalsContact C-N 3.34Å; K73-Q75 PolarHBondContact O-N 3.43Å | ||
| 74 | K | 49.4 | Very low | 60.4 | Low | 191 Ų | 191 | 123.8 Ų | 123.8 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | trans | -60.7 | 102.6 | 163.9 | -84 | -175 | 176.7 | 178.5 | 0 | 106.9 | P72 G76 | P72-K74 PolarHBondContact O-N 2.67Å; K74-G76 PolarHBondContact O-N 3.5Å | ||
| 75 | Q | 49.1 | Very low | 59.1 | Low | 196 Ų | 196 | 123.1 Ų | 123.1 | 92% | 0.916 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 121.6 | 170.1 | -58.6 | -165.3 | 21.5 | 0 | 0 | 107.5 | K73 | K73-Q75 VanDerWaalsContact C-N 3.34Å; K73-Q75 PolarHBondContact O-N 3.43Å |
| 76 | G | 52.9 | Low | 58.1 | Low | 84 Ų | 84 | 121 Ų | 121 | 87% | 0.866 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112 | 10.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | K74 | K74-G76 PolarHBondContact O-N 3.5Š|
| 77 | S | 51.8 | Low | 57.6 | Low | 91 Ų | 91 | 120.3 Ų | 120.3 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | -109.9 | 109.3 | 163.1 | 65.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 78 | R | 57.5 | Low | 57.5 | Low | 221 Ų | 221 | 122 Ų | 122 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | trans | -44.7 | 130 | 158.5 | -143.7 | 173.5 | -175.3 | 165.8 | -0.3 | 106.5 | ||||
| 79 | P | 58.3 | Low | 57.9 | Low | 100 Ų | 100 | 127.3 Ų | 127.3 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | trans | -53 | 138.7 | 177 | 22.6 | -31.5 | 0 | 0 | 0 | 107.2 | I81 | P79-I81 PolarHBondContact O-N 2.93Š| ||
| 80 | P | 50.8 | Low | 58.7 | Low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | trans | -51.3 | 122.6 | 168.4 | -13.2 | 24.5 | 0 | 0 | 0 | 104.8 | Q82 | P80-Q82 PolarHBondContact O-N 2.94Š| ||
| 81 | I | 55.8 | Low | 59.8 | Low | 134 Ų | 134 | 134.6 Ų | 134.6 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | -60 | 99.6 | 163.5 | -61.5 | 172.4 | 0 | 0 | 0 | 102 | P79 N83 | P79-I81 PolarHBondContact O-N 2.93Å; I81-N83 WeakPolarHBondContact CG2-OD1 3.32Å; I81-N83 PolarHBondContact O-N 3.33Å | ||
| 82 | Q | 55.7 | Low | 60.9 | Low | 174 Ų | 174 | 135.4 Ų | 135.4 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | -63 | 95.2 | 166.1 | -63.4 | -177.5 | 17.2 | 0 | 0 | 101.8 | P80 A84 | P80-Q82 PolarHBondContact O-N 2.94Å; Q82-A84 PolarHBondContact O-N 3.48Å | ||
| 83 | N | 55.7 | Low | 61.9 | Low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -59.4 | 97.7 | 165.1 | -63.2 | -38.6 | 0 | 0 | 0 | 102.5 | I81 C85 | I81-N83 WeakPolarHBondContact CG2-OD1 3.32Å; I81-N83 PolarHBondContact O-N 3.33Å; N83-C85 PolarHBondContact O-N 3.43Å | ||
| 84 | A | 56.2 | Low | 63.3 | Low | 83 Ų | 83 | 134 Ų | 134 | 69% | 0.686 | 73% | 0.726 | S | S | * | * | trans | -45 | 122.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 105.2 | Q82 V86 | Q82-A84 PolarHBondContact O-N 3.48Å; A84-V86 PolarHBondContact O-N 3.47Å | ||
| 85 | C | 55.4 | Low | 64.8 | Low | 121 Ų | 121 | 132.3 Ų | 132.3 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -49.5 | 110.9 | -170.8 | 52.5 | 0 | 0 | 0 | 0 | 108.4 | N83 A87 | N83-C85 PolarHBondContact O-N 3.43Å; C85-A87 PolarHBondContact O-N 2.94Å | ||
| 86 | V | 58.6 | Low | 66.5 | Low | 66 Ų | 66 | 126.1 Ų | 126.1 | 40% | 0.4 | 70% | 0.701 | S | S | . | * | trans | -69.8 | 102.8 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 105.3 | A84 D88 L93 | A84-V86 PolarHBondContact O-N 3.47Å; V86-D88 WeakPolarHBondContact CG1-O 3.42Å; V86-D88 PolarHBondContact O-N 3.21Å; V86-L93 HydrophobicContact CG1-CD2 4.27Å; V86-L93 HydrophobicContact CG2-CD1 4.05Å; V86-L93 HydrophobicContact CG2-CD2 3.93Å | ||
| 87 | A | 65.2 | Low | 67.9 | Low | 109 Ų | 109 | 127.3 Ų | 127.3 | 90% | 0.901 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -61.8 | -24.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | C85 | C85-A87 PolarHBondContact O-N 2.94Š|
| 88 | D | 75.2 | Confident | 69.5 | Low | 93 Ų | 93 | 132 Ų | 132 | 50% | 0.497 | 71% | 0.713 | S | S | . | * | trans | -142.3 | 122.2 | 176.8 | -164.1 | -11.4 | 0 | 0 | 0 | 112.3 | V86 H90 R91 | V86-D88 WeakPolarHBondContact CG1-O 3.42Å; V86-D88 PolarHBondContact O-N 3.21Å; D88-H90 PolarHBondContact O-N 2.9Å; D88-H90 VanDerWaalsContact O-N 3.16Å; D88-H90 PolarHBondContact OD1-N 3.37Å; D88-H90 IonicContact OD1-ND1 3.63Å; D88-R91 HydrophobicContact CB-CB 4.43Å; D88-R91 PolarHBondContact O-N 3.39Å | ||
| 89 | K | 78.8 | Confident | 70.7 | Confident | 192 Ų | 192 | 126.8 Ų | 126.8 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -14.3 | -172 | -65.1 | 171 | -176.4 | 174.1 | 0 | 113.6 | ||
| 90 | H | 81.2 | Confident | 72 | Confident | 172 Ų | 172 | 133.1 Ų | 133.1 | 80% | 0.796 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 2.3 | -176.4 | -53 | 92.1 | 0 | 0 | 0 | 113.4 | D88 | D88-H90 PolarHBondContact O-N 2.9Å; D88-H90 VanDerWaalsContact O-N 3.16Å; D88-H90 PolarHBondContact OD1-N 3.37Å; D88-H90 IonicContact OD1-ND1 3.63Å |
| 91 | R | 81.1 | Confident | 73.4 | Confident | 150 Ų | 150 | 134.4 Ų | 134.4 | 57% | 0.566 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -87.8 | 135.6 | 178 | -172.6 | 178.7 | 177.1 | -89 | -1.5 | 110.7 | D88 | D88-R91 HydrophobicContact CB-CB 4.43Å; D88-R91 PolarHBondContact O-N 3.39Å |
| 92 | P | 82.4 | Confident | 74.8 | Confident | 108 Ų | 108 | 132.8 Ų | 132.8 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.5 | 173 | 24.4 | -33.3 | 0 | 0 | 0 | 111.3 | ||
| 93 | L | 78.6 | Confident | 76 | Confident | 116 Ų | 116 | 134.3 Ų | 134.3 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 127.6 | 176.3 | -65.8 | 175.8 | 0 | 0 | 0 | 110.1 | V86 | V86-L93 HydrophobicContact CG1-CD2 4.27Å; V86-L93 HydrophobicContact CG2-CD1 4.05Å; V86-L93 HydrophobicContact CG2-CD2 3.93Å |
| 94 | E | 79.8 | Confident | 77.5 | Confident | 173 Ų | 173 | 134.7 Ų | 134.7 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 128.2 | 173.8 | -68.2 | 171.5 | -150.3 | 0 | 0 | 109.8 | ||
| 95 | M | 80.3 | Confident | 78.7 | Confident | 157 Ų | 157 | 141.9 Ų | 141.9 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -125.5 | 144.2 | 174 | -62.4 | -133.5 | -58.8 | 0 | 0 | 110.2 | A97 | M95-A97 PolarHBondContact O-N 3.39Š| ||
| 96 | S | 85 | Confident | 79.9 | Confident | 65 Ų | 65 | 144.3 Ų | 144.3 | 46% | 0.455 | 73% | 0.729 | S | S | . | * | trans | -70.2 | 130.1 | 179.7 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | K98 I99 | S96-K98 PolarHBondContact O-N 2.92Å; S96-K98 PolarHBondContact OG-N 3.49Å; S96-I99 WeakPolarHBondContact O-CB 3.46Å; S96-I99 WeakPolarHBondContact O-CG1 3.36Å; S96-I99 PolarHBondContact O-N 3.31Å | ||
| 97 | A | 82.7 | Confident | 81 | Confident | 110 Ų | 110 | 147.4 Ų | 147.4 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -13.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M95 I99 | M95-A97 PolarHBondContact O-N 3.39Å; A97-I99 VanDerWaalsContact C-N 3.3Å |
| 98 | K | 84.9 | Confident | 81.9 | Confident | 190 Ų | 190 | 147 Ų | 147 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -13.2 | 176.3 | -60 | -179.2 | -177.9 | 178.5 | 0 | 112.9 | S96 R100 | S96-K98 PolarHBondContact O-N 2.92Å; S96-K98 PolarHBondContact OG-N 3.49Å; K98-R100 PolarHBondContact O-N 2.87Å |
| 99 | I | 83.3 | Confident | 82.2 | Confident | 111 Ų | 111 | 148.1 Ų | 148.1 | 57% | 0.569 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -80.9 | 108.6 | -179.3 | -58.5 | 171.1 | 0 | 0 | 0 | 108.5 | S96 A97 | S96-I99 WeakPolarHBondContact O-CB 3.46Å; S96-I99 WeakPolarHBondContact O-CG1 3.36Å; S96-I99 PolarHBondContact O-N 3.31Å; A97-I99 VanDerWaalsContact C-N 3.3Å |
| 100 | R | 85.8 | Confident | 82.3 | Confident | 233 Ų | 233 | 145.7 Ų | 145.7 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 136.5 | 175.8 | -63.8 | -176.1 | -179.3 | 176.2 | -0.3 | 110.3 | K98 | K98-R100 PolarHBondContact O-N 2.87Š|
| 101 | V | 80.4 | Confident | 82.4 | Confident | 134 Ų | 134 | 143.2 Ų | 143.2 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 129.7 | 174 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | F103 | V101-F103 PolarHBondContact O-N 3.36Š|
| 102 | P | 83.8 | Confident | 82.4 | Confident | 99 Ų | 99 | 144.3 Ų | 144.3 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 135.4 | 176.6 | 27.8 | -34 | 0 | 0 | 0 | 110.2 | L104 | P102-L104 VanDerWaalsContact C-N 3.33Å; P102-L104 PolarHBondContact O-N 3.49Å |
| 103 | F | 82.8 | Confident | 82.5 | Confident | 206 Ų | 206 | 149.4 Ų | 149.4 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -64 | -36.7 | 179.4 | -176.8 | -106.1 | 0 | 0 | 0 | 112.6 | V101 | V101-F103 PolarHBondContact O-N 3.36Š|
| 104 | L | 85.8 | Confident | 82.8 | Confident | 140 Ų | 140 | 148.7 Ų | 148.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -98.8 | 132.1 | 174.5 | -69.5 | 107.8 | 0 | 0 | 0 | 111.2 | P102 | P102-L104 VanDerWaalsContact C-N 3.33Å; P102-L104 PolarHBondContact O-N 3.49Å |
| 105 | R | 81.6 | Confident | 83.1 | Confident | 235 Ų | 235 | 145.3 Ų | 145.3 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | -67.3 | 137.3 | 169 | -67.1 | -172.9 | 174.5 | -175.4 | -0.8 | 109.9 | V107 | R105-V107 PolarHBondContact O-N 2.95Š| ||
| 106 | Q | 81.6 | Confident | 83.5 | Confident | 171 Ų | 171 | 145.4 Ų | 145.4 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | -70 | 110.2 | 170.6 | -177.7 | 175.3 | -5.4 | 0 | 0 | 109 | V108 | Q106-V108 PolarHBondContact O-N 3.31Š| ||
| 107 | V | 81.4 | Confident | 83.7 | Confident | 131 Ų | 131 | 145 Ų | 145 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | -73.4 | 107.3 | 171.8 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | R105 P109 | R105-V107 PolarHBondContact O-N 2.95Å; V107-P109 WeakPolarHBondContact O-CD 3.36Å | ||
| 108 | V | 82.8 | Confident | 84 | Confident | 102 Ų | 102 | 144.3 Ų | 144.3 | 62% | 0.618 | 74% | 0.735 | S | S | * | * | trans | -72.8 | 118.4 | 170.6 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | Q106 I110 | Q106-V108 PolarHBondContact O-N 3.31Å; V108-I110 PolarHBondContact O-N 3.5Å | ||
| 109 | P | 82.6 | Confident | 84.1 | Confident | 116 Ų | 116 | 144 Ų | 144 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -63.2 | 112.3 | 175.6 | 26 | -32.3 | 0 | 0 | 0 | 108.5 | V107 | V107-P109 WeakPolarHBondContact O-CD 3.36Š| ||
| 110 | I | 80.4 | Confident | 84.1 | Confident | 141 Ų | 141 | 146.1 Ų | 146.1 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | trans | -77.9 | 129 | 174.6 | -55.1 | 171.6 | 0 | 0 | 0 | 107.1 | V108 K112 | V108-I110 PolarHBondContact O-N 3.5Å; I110-K112 PolarHBondContact O-N 3.38Å | ||
| 111 | S | 83 | Confident | 84.3 | Confident | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | trans | -66.8 | 101.1 | 171.2 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 112 | K | 82.4 | Confident | 84.7 | Confident | 172 Ų | 172 | 138.1 Ų | 138.1 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -77.2 | 131.2 | 176.5 | -61.6 | -177 | -176.1 | 179.9 | 0 | 108.2 | I110 V114 | I110-K112 PolarHBondContact O-N 3.38Å; K112-V114 PolarHBondContact O-N 3.08Å | ||
| 113 | K | 83.1 | Confident | 84.9 | Confident | 215 Ų | 215 | 139.4 Ų | 139.4 | 94% | 0.935 | 71% | 0.706 | S | S | * | * | trans | -70.5 | 98.5 | 169.7 | -66.7 | -178 | -179.2 | 179.7 | 0 | 108.1 | ||||
| 114 | V | 84.4 | Confident | 85.1 | Confident | 101 Ų | 101 | 132.7 Ų | 132.7 | 61% | 0.612 | 68% | 0.684 | S | S | * | * | trans | -80.3 | 125.2 | 171.9 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | K112 R116 | K112-V114 PolarHBondContact O-N 3.08Å; V114-R116 WeakPolarHBondContact O-CG 3.45Å; V114-R116 PolarHBondContact O-N 3.21Å | ||
| 115 | A | 87.5 | Confident | 85.2 | Confident | 103 Ų | 103 | 129 Ų | 129 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | trans | -63.1 | 123 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 116 | R | 87.9 | Confident | 85.6 | Confident | 158 Ų | 158 | 126.4 Ų | 126.4 | 60% | 0.596 | 68% | 0.678 | S | S | * | * | trans | -107.4 | 136.9 | -179.3 | -58.8 | -157.2 | 178.3 | 101 | -5.9 | 109.8 | V114 D121 | V114-R116 WeakPolarHBondContact O-CG 3.45Å; V114-R116 PolarHBondContact O-N 3.21Å; R116-D121 HydrophobicContact CB-CB 4.19Å; R116-D121 WeakPolarHBondContact CD-OD1 3.42Å; R116-D121 WeakPolarHBondContact CD-OD2 3.43Å | ||
| 117 | D | 90.2 | Very high | 86.1 | Confident | 57 Ų | 57 | 124.4 Ų | 124.4 | 31% | 0.305 | 66% | 0.664 | S | S | . | * | trans | -89.8 | 113.7 | 171.4 | -173.2 | -27.8 | 0 | 0 | 0 | 108.1 | R119 F120 D121 | D117-R119 PolarHBondContact O-N 3.5Å; D117-R119 VanDerWaalsContact OD1-CB 3.27Å; D117-R119 WeakPolarHBondContact OD1-CB 3.4Å; D117-R119 WeakPolarHBondContact OD1-CG 3.45Å; D117-R119 IonicContact OD1-CZ 3.4Å; D117-R119 PolarHBondContact OD1-N 3.06Å; D117-R119 IonicContact OD1-NE 3.24Å; D117-R119 PolarHBondContact OD1-NE 3.22Å; D117-R119 VanDerWaalsContact OD1-NE 3.08Å; D117-R119 IonicContact OD1-NH2 2.73Å; D117-R119 IonicContact OD2-CZ 2.73Å; D117-R119 IonicContact OD2-NE 3.98Å; D117-R119 PolarHBondContact OD2-NE 3.28Å; D117-R119 IonicContact OD2-NH2 3.99Å; D117-R119 PolarHBondContact OD2-NH2 3.37Å; D117-F120 HydrophobicContact CB-CD2 4.01Å; D117-F120 CarbonylContact O-C 3.59Å; D117-F120 PolarHBondContact O-N 2.88Å; D117-F120 WeakPolarHBondContact OD2-CD2 3.27Å; D117-F120 WeakPolarHBondContact OD2-CE2 3.46Å; D117-D121 VanDerWaalsContact O-CB 3.23Å; D117-D121 WeakPolarHBondContact O-CB 3.37Å; D117-D121 PolarHBondContact O-N 3.05Å | ||
| 118 | P | 88.9 | Confident | 86.5 | Confident | 95 Ų | 95 | 122.9 Ų | 122.9 | 62% | 0.617 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -15.1 | -176.7 | 26.8 | -35.8 | 0 | 0 | 0 | 113.6 | S124 | P118-S124 WeakPolarHBondContact CA-OG 3.26Å; P118-S124 VanDerWaalsContact O-CB 3.25Å; P118-S124 WeakPolarHBondContact O-CB 3.28Å; P118-S124 PolarHBondContact O-OG 3.27Å |
| 119 | R | 86.1 | Confident | 86.9 | Confident | 185 Ų | 185 | 119.6 Ų | 119.6 | 70% | 0.698 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -26.7 | 175.2 | -58.5 | 176.5 | -65 | 169.2 | 1.3 | 112.8 | D117 | D117-R119 PolarHBondContact O-N 3.5Å; D117-R119 VanDerWaalsContact OD1-CB 3.27Å; D117-R119 WeakPolarHBondContact OD1-CB 3.4Å; D117-R119 WeakPolarHBondContact OD1-CG 3.45Å; D117-R119 IonicContact OD1-CZ 3.4Å; D117-R119 PolarHBondContact OD1-N 3.06Å; D117-R119 IonicContact OD1-NE 3.24Å; D117-R119 PolarHBondContact OD1-NE 3.22Å; D117-R119 VanDerWaalsContact OD1-NE 3.08Å; D117-R119 IonicContact OD1-NH2 2.73Å; D117-R119 IonicContact OD2-CZ 2.73Å; D117-R119 IonicContact OD2-NE 3.98Å; D117-R119 PolarHBondContact OD2-NE 3.28Å; D117-R119 IonicContact OD2-NH2 3.99Å; D117-R119 PolarHBondContact OD2-NH2 3.37Å |
| 120 | F | 84.6 | Confident | 87.3 | Confident | 154 Ų | 154 | 118.7 Ų | 118.7 | 68% | 0.675 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -0.3 | -171.8 | -53.1 | -61.9 | 0 | 0 | 0 | 113.2 | D117 | D117-F120 HydrophobicContact CB-CD2 4.01Å; D117-F120 CarbonylContact O-C 3.59Å; D117-F120 PolarHBondContact O-N 2.88Å; D117-F120 WeakPolarHBondContact OD2-CD2 3.27Å; D117-F120 WeakPolarHBondContact OD2-CE2 3.46Å |
| 121 | D | 88.9 | Confident | 87.9 | Confident | 40 Ų | 40 | 116 Ų | 116 | 21% | 0.214 | 61% | 0.608 | C | S | . | * | trans | -85.1 | 120.5 | 178.6 | -178.4 | 25.3 | 0 | 0 | 0 | 110.5 | R116 D117 L123 S124 | R116-D121 HydrophobicContact CB-CB 4.19Å; R116-D121 WeakPolarHBondContact CD-OD1 3.42Å; R116-D121 WeakPolarHBondContact CD-OD2 3.43Å; D117-D121 VanDerWaalsContact O-CB 3.23Å; D117-D121 WeakPolarHBondContact O-CB 3.37Å; D117-D121 PolarHBondContact O-N 3.05Å; D121-L123 PolarHBondContact O-N 3.48Å; D121-L123 PolarHBondContact OD1-N 2.91Å; D121-S124 VanDerWaalsContact O-CB 3.3Å; D121-S124 WeakPolarHBondContact O-CB 3.49Å; D121-S124 PolarHBondContact O-N 2.86Å; D121-S124 PolarHBondContact O-OG 3.25Å | ||
| 122 | D | 89.8 | Confident | 88.4 | Confident | 160 Ų | 160 | 113.5 Ų | 113.5 | 86% | 0.856 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -56.8 | -24.4 | 179.6 | -62.1 | -27.4 | 0 | 0 | 0 | 112.5 | S124 | D122-S124 VanDerWaalsContact C-N 3.29Å; D122-S124 PolarHBondContact O-N 2.91Å |
| 123 | L | 87.2 | Confident | 88.9 | Confident | 126 Ų | 126 | 107.3 Ų | 107.3 | 66% | 0.66 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -76.2 | -11.9 | 177.1 | -58.2 | 178.1 | 0 | 0 | 0 | 114 | D121 G125 | D121-L123 PolarHBondContact O-N 3.48Å; D121-L123 PolarHBondContact OD1-N 2.91Å; L123-G125 PolarHBondContact O-N 3.06Å |
| 124 | S | 86.1 | Confident | 89.4 | Confident | 65 Ų | 65 | 104.3 Ų | 104.3 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -76.5 | -2.5 | -176.9 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | P118 D121 D122 | P118-S124 WeakPolarHBondContact CA-OG 3.26Å; P118-S124 VanDerWaalsContact O-CB 3.25Å; P118-S124 WeakPolarHBondContact O-CB 3.28Å; P118-S124 PolarHBondContact O-OG 3.27Å; D121-S124 VanDerWaalsContact O-CB 3.3Å; D121-S124 WeakPolarHBondContact O-CB 3.49Å; D121-S124 PolarHBondContact O-N 2.86Å; D121-S124 PolarHBondContact O-OG 3.25Å; D122-S124 VanDerWaalsContact C-N 3.29Å; D122-S124 PolarHBondContact O-N 2.91Å |
| 125 | G | 87.8 | Confident | 89.9 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 64% | 0.639 | 54% | 0.538 | S | S | * | . | trans | 86.6 | -179 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L123 | L123-G125 PolarHBondContact O-N 3.06Š| ||
| 126 | E | 90.6 | Very high | 90.3 | Very high | 180 Ų | 180 | 103.6 Ų | 103.6 | 84% | 0.841 | 52% | 0.518 | S | S | * | . | trans | -96.9 | 161.7 | -177.4 | -64.9 | -175.1 | 176.5 | 0 | 0 | 112.9 | N128 | E126-N128 PolarHBondContact O-N 3.42Å; E126-N128 VanDerWaalsContact O-N 3.15Å; E126-N128 PolarHBondContact O-ND2 3.47Å | ||
| 127 | Y | 91.4 | Very high | 90.7 | Very high | 129 Ų | 129 | 102.4 Ų | 102.4 | 51% | 0.506 | 52% | 0.519 | S | S | . | . | trans | -63.3 | 114 | 177.8 | 171.1 | -103.6 | 0 | 0 | 0 | 112 | P129 F132 | Y127-P129 HydrophobicContact CE1-CB 3.94Å; Y127-F132 HydrophobicContact CD2-CB 4.4Å; Y127-F132 HydrophobicContact CD2-CD2 4.46Å; Y127-F132 HydrophobicContact CE2-CB 3.57Å; Y127-F132 HydrophobicContact CE2-CD1 4.07Å; Y127-F132 AromaticContact CE2-CD2 3.73Å; Y127-F132 HydrophobicContact CE2-CD2 3.73Å; Y127-F132 HydrophobicContact CE2-CE2 4.45Å; Y127-F132 AromaticContact CE2-CG 3.52Å; Y127-F132 HydrophobicContact CE2-CG 3.52Å | ||
| 128 | N | 91.7 | Very high | 91 | Very high | 100 Ų | 100 | 104.8 Ų | 104.8 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | trans | -102.9 | 111.9 | 173.2 | -71.7 | -50.2 | 0 | 0 | 0 | 110.4 | E126 E130 V131 F132 | E126-N128 PolarHBondContact O-N 3.42Å; E126-N128 VanDerWaalsContact O-N 3.15Å; E126-N128 PolarHBondContact O-ND2 3.47Å; N128-E130 VanDerWaalsContact C-N 3.31Å; N128-E130 PolarHBondContact O-N 3.45Å; N128-V131 HydrophobicContact CB-CB 4.19Å; N128-V131 HydrophobicContact CB-CG2 4.05Å; N128-V131 PolarHBondContact O-N 3.07Å; N128-F132 WeakPolarHBondContact O-CB 3.42Å; N128-F132 PolarHBondContact O-N 2.89Å | ||
| 129 | P | 91.1 | Very high | 91.4 | Very high | 33 Ų | 33 | 102.4 Ų | 102.4 | 21% | 0.214 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -63.4 | -36.3 | -175.9 | 24.7 | -33.4 | 0 | 0 | 0 | 112.6 | Y127 V131 F132 D133 | Y127-P129 HydrophobicContact CE1-CB 3.94Å; P129-V131 PolarHBondContact O-N 3.18Å; P129-F132 PolarHBondContact O-N 2.91Å; P129-D133 WeakPolarHBondContact O-CB 3.38Å; P129-D133 VanDerWaalsContact O-CG 3.27Å; P129-D133 PolarHBondContact O-N 2.9Å |
| 130 | E | 90.6 | Very high | 91.8 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | -179.9 | -61.3 | -177.3 | -171.3 | 0 | 0 | 112.7 | N128 K134 | N128-E130 VanDerWaalsContact C-N 3.31Å; N128-E130 PolarHBondContact O-N 3.45Å; E130-K134 WeakPolarHBondContact O-CD 3.29Å; E130-K134 VanDerWaalsContact O-CG 3.28Å; E130-K134 WeakPolarHBondContact O-CG 3.29Å |
| 131 | V | 93 | Very high | 92.4 | Very high | 84 Ų | 84 | 93.7 Ų | 93.7 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.8 | -47.2 | 177.3 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | N128 P129 D133 K134 T135 | N128-V131 HydrophobicContact CB-CB 4.19Å; N128-V131 HydrophobicContact CB-CG2 4.05Å; N128-V131 PolarHBondContact O-N 3.07Å; P129-V131 PolarHBondContact O-N 3.18Å; V131-D133 PolarHBondContact O-N 3.15Å; V131-K134 PolarHBondContact O-N 3.42Å; V131-K134 VanDerWaalsContact O-N 3.14Å; V131-T135 HydrophobicContact CG1-CG2 3.88Å; V131-T135 WeakPolarHBondContact O-CG2 3.46Å; V131-T135 PolarHBondContact O-N 3.46Å; V131-T135 PolarHBondContact O-OG1 3.5Å; V131-T135 VanDerWaalsContact O-OG1 3.08Å |
| 132 | F | 93.8 | Very high | 92.8 | Very high | 67 Ų | 67 | 95.1 Ų | 95.1 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.4 | -47.7 | 179.8 | 179.6 | -91.7 | 0 | 0 | 0 | 112.7 | Y127 N128 P129 K134 T135 Y136 | Y127-F132 HydrophobicContact CD2-CB 4.4Å; Y127-F132 HydrophobicContact CD2-CD2 4.46Å; Y127-F132 HydrophobicContact CE2-CB 3.57Å; Y127-F132 HydrophobicContact CE2-CD1 4.07Å; Y127-F132 AromaticContact CE2-CD2 3.73Å; Y127-F132 HydrophobicContact CE2-CD2 3.73Å; Y127-F132 HydrophobicContact CE2-CE2 4.45Å; Y127-F132 AromaticContact CE2-CG 3.52Å; Y127-F132 HydrophobicContact CE2-CG 3.52Å; N128-F132 WeakPolarHBondContact O-CB 3.42Å; N128-F132 PolarHBondContact O-N 2.89Å; P129-F132 PolarHBondContact O-N 2.91Å; F132-K134 PolarHBondContact O-N 2.95Å; F132-T135 WeakPolarHBondContact CA-OG1 3.47Å; F132-T135 PolarHBondContact O-N 3.12Å; F132-T135 PolarHBondContact O-OG1 2.93Å; F132-Y136 AromaticContact CD2-CD2 3.34Å; F132-Y136 HydrophobicContact CD2-CD2 3.34Å; F132-Y136 AromaticContact CD2-CE2 3.66Å; F132-Y136 HydrophobicContact CD2-CE2 3.66Å; F132-Y136 HydrophobicContact CD2-CG 4.37Å; F132-Y136 AromaticContact CE2-CD2 3.45Å; F132-Y136 HydrophobicContact CE2-CD2 3.45Å; F132-Y136 VanDerWaalsContact CE2-CD2 3.45Å; F132-Y136 AromaticContact CE2-CE2 3.82Å; F132-Y136 HydrophobicContact CE2-CE2 3.82Å; F132-Y136 HydrophobicContact CE2-CG 4.13Å; F132-Y136 AromaticContact CG-CD2 3.95Å; F132-Y136 HydrophobicContact CG-CD2 3.95Å; F132-Y136 HydrophobicContact CZ-CD2 4.14Å; F132-Y136 HydrophobicContact CZ-CG 4.45Å; F132-Y136 WeakPolarHBondContact O-CB 3.41Å; F132-Y136 WeakPolarHBondContact O-CD2 3.5Å; F132-Y136 PolarHBondContact O-N 3.21Å |
| 133 | D | 92.2 | Very high | 93.1 | Very high | 42 Ų | 42 | 91.8 Ų | 91.8 | 23% | 0.225 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.4 | -29.3 | -178.2 | -73.6 | -24.2 | 0 | 0 | 0 | 112.2 | P129 V131 Q137 | P129-D133 WeakPolarHBondContact O-CB 3.38Å; P129-D133 VanDerWaalsContact O-CG 3.27Å; P129-D133 PolarHBondContact O-N 2.9Å; V131-D133 PolarHBondContact O-N 3.15Å; D133-Q137 WeakPolarHBondContact O-CA 3.5Å; D133-Q137 PolarHBondContact O-N 3.07Å |
| 134 | K | 93.1 | Very high | 93.6 | Very high | 152 Ų | 152 | 88.3 Ų | 88.3 | 66% | 0.661 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -78.6 | -51 | 174.6 | -68.5 | 172.2 | -174.2 | 175.6 | 0 | 111.8 | E130 V131 F132 Y136 Q137 | E130-K134 WeakPolarHBondContact O-CD 3.29Å; E130-K134 VanDerWaalsContact O-CG 3.28Å; E130-K134 WeakPolarHBondContact O-CG 3.29Å; V131-K134 PolarHBondContact O-N 3.42Å; V131-K134 VanDerWaalsContact O-N 3.14Å; F132-K134 PolarHBondContact O-N 2.95Å; K134-Y136 VanDerWaalsContact C-N 3.28Å; K134-Y136 PolarHBondContact O-N 3.43Å; K134-Q137 PolarHBondContact O-N 3.34Å |
| 135 | T | 96.1 | Very high | 94.2 | Very high | 79 Ų | 79 | 92.1 Ų | 92.1 | 49% | 0.485 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.3 | -33.8 | -176.6 | 55 | 0 | 0 | 0 | 0 | 112.1 | V131 F132 | V131-T135 HydrophobicContact CG1-CG2 3.88Å; V131-T135 WeakPolarHBondContact O-CG2 3.46Å; V131-T135 PolarHBondContact O-N 3.46Å; V131-T135 PolarHBondContact O-OG1 3.5Å; V131-T135 VanDerWaalsContact O-OG1 3.08Å; F132-T135 WeakPolarHBondContact CA-OG1 3.47Å; F132-T135 PolarHBondContact O-N 3.12Å; F132-T135 PolarHBondContact O-OG1 2.93Å |
| 136 | Y | 95.8 | Very high | 94.6 | Very high | 111 Ų | 111 | 93.6 Ų | 93.6 | 44% | 0.435 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 28 | -177.7 | -60.9 | -76.3 | 0 | 0 | 0 | 113 | F132 K134 F138 L139 | F132-Y136 AromaticContact CD2-CD2 3.34Å; F132-Y136 HydrophobicContact CD2-CD2 3.34Å; F132-Y136 AromaticContact CD2-CE2 3.66Å; F132-Y136 HydrophobicContact CD2-CE2 3.66Å; F132-Y136 HydrophobicContact CD2-CG 4.37Å; F132-Y136 AromaticContact CE2-CD2 3.45Å; F132-Y136 HydrophobicContact CE2-CD2 3.45Å; F132-Y136 VanDerWaalsContact CE2-CD2 3.45Å; F132-Y136 AromaticContact CE2-CE2 3.82Å; F132-Y136 HydrophobicContact CE2-CE2 3.82Å; F132-Y136 HydrophobicContact CE2-CG 4.13Å; F132-Y136 AromaticContact CG-CD2 3.95Å; F132-Y136 HydrophobicContact CG-CD2 3.95Å; F132-Y136 HydrophobicContact CZ-CD2 4.14Å; F132-Y136 HydrophobicContact CZ-CG 4.45Å; F132-Y136 WeakPolarHBondContact O-CB 3.41Å; F132-Y136 WeakPolarHBondContact O-CD2 3.5Å; F132-Y136 PolarHBondContact O-N 3.21Å; K134-Y136 VanDerWaalsContact C-N 3.28Å; K134-Y136 PolarHBondContact O-N 3.43Å; Y136-F138 AromaticContact CD1-CE1 3.83Å; Y136-F138 HydrophobicContact CD1-CE1 3.83Å; Y136-F138 HydrophobicContact CD1-CZ 4.11Å; Y136-F138 PolarHBondContact O-N 3.25Å; Y136-L139 HydrophobicContact CD1-CD1 4.44Å; Y136-L139 HydrophobicContact CG-CD1 4.35Å; Y136-L139 WeakPolarHBondContact O-CB 3.49Å; Y136-L139 WeakPolarHBondContact O-CG 3.36Å; Y136-L139 PolarHBondContact O-N 3.32Å |
| 137 | Q | 95.6 | Very high | 95 | Very high | 132 Ų | 132 | 86.5 Ų | 86.5 | 62% | 0.617 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -33.9 | -179.8 | -173.6 | 175.8 | 2.2 | 0 | 0 | 112.8 | D133 K134 L139 N140 | D133-Q137 WeakPolarHBondContact O-CA 3.5Å; D133-Q137 PolarHBondContact O-N 3.07Å; K134-Q137 PolarHBondContact O-N 3.34Å; Q137-L139 PolarHBondContact O-N 2.97Å; Q137-L139 VanDerWaalsContact O-N 3.15Å; Q137-N140 WeakPolarHBondContact O-CB 3.41Å; Q137-N140 PolarHBondContact O-N 3.47Å; Q137-N140 PolarHBondContact O-ND2 3.44Å |
| 138 | F | 97.1 | Very high | 95.3 | Very high | 108 Ų | 108 | 84.6 Ų | 84.6 | 47% | 0.474 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.7 | 178.5 | 73 | -90.2 | 0 | 0 | 0 | 113.7 | Y136 N140 D141 I142 | Y136-F138 AromaticContact CD1-CE1 3.83Å; Y136-F138 HydrophobicContact CD1-CE1 3.83Å; Y136-F138 HydrophobicContact CD1-CZ 4.11Å; Y136-F138 PolarHBondContact O-N 3.25Å; F138-N140 PolarHBondContact O-N 3.44Å; F138-D141 PolarHBondContact O-N 3.35Å; F138-D141 VanDerWaalsContact O-N 3.12Å; F138-I142 HydrophobicContact CD2-CD1 3.77Å; F138-I142 HydrophobicContact CE2-CD1 3.9Å; F138-I142 PolarHBondContact O-N 3.05Å |
| 139 | L | 96.5 | Very high | 95.6 | Very high | 45 Ų | 45 | 84.6 Ų | 84.6 | 24% | 0.236 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.1 | -25.2 | 175.1 | -66.7 | -178.2 | 0 | 0 | 0 | 111.8 | Y136 Q137 D141 I142 R143 | Y136-L139 HydrophobicContact CD1-CD1 4.44Å; Y136-L139 HydrophobicContact CG-CD1 4.35Å; Y136-L139 WeakPolarHBondContact O-CB 3.49Å; Y136-L139 WeakPolarHBondContact O-CG 3.36Å; Y136-L139 PolarHBondContact O-N 3.32Å; Q137-L139 PolarHBondContact O-N 2.97Å; Q137-L139 VanDerWaalsContact O-N 3.15Å; L139-D141 VanDerWaalsContact C-N 3.32Å; L139-I142 HydrophobicContact CD2-CD1 4.32Å; L139-I142 PolarHBondContact O-N 2.91Å; L139-R143 WeakPolarHBondContact O-CB 3.49Å; L139-R143 WeakPolarHBondContact O-CG 3.34Å; L139-R143 PolarHBondContact O-N 2.85Å |
| 140 | N | 95 | Very high | 95.9 | Very high | 52 Ų | 52 | 83.6 Ų | 83.6 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 176.3 | -58.7 | -45.1 | 0 | 0 | 0 | 110.9 | Q137 F138 R143 A144 | Q137-N140 WeakPolarHBondContact O-CB 3.41Å; Q137-N140 PolarHBondContact O-N 3.47Å; Q137-N140 PolarHBondContact O-ND2 3.44Å; F138-N140 PolarHBondContact O-N 3.44Å; N140-R143 PolarHBondContact O-N 2.9Å; N140-A144 WeakPolarHBondContact O-CB 3.37Å; N140-A144 PolarHBondContact O-N 3.35Å |
| 141 | D | 97 | Very high | 96.2 | Very high | 103 Ų | 103 | 82 Ų | 82 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -68.2 | -38.9 | 179 | -57.3 | -25.9 | 0 | 0 | 0 | 111.3 | F138 L139 A144 K145 | F138-D141 PolarHBondContact O-N 3.35Å; F138-D141 VanDerWaalsContact O-N 3.12Å; L139-D141 VanDerWaalsContact C-N 3.32Å; D141-A144 PolarHBondContact O-N 3.36Å; D141-K145 WeakPolarHBondContact O-CG 3.41Å; D141-K145 PolarHBondContact O-N 3.2Å |
| 142 | I | 97.7 | Very high | 96.4 | Very high | 70 Ų | 70 | 83.9 Ų | 83.9 | 36% | 0.359 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.3 | -49.6 | 175.9 | -63 | 175.4 | 0 | 0 | 0 | 109.9 | F138 L139 A144 K145 E146 | F138-I142 HydrophobicContact CD2-CD1 3.77Å; F138-I142 HydrophobicContact CE2-CD1 3.9Å; F138-I142 PolarHBondContact O-N 3.05Å; L139-I142 HydrophobicContact CD2-CD1 4.32Å; L139-I142 PolarHBondContact O-N 2.91Å; I142-A144 VanDerWaalsContact C-N 3.28Å; I142-A144 PolarHBondContact O-N 3.09Å; I142-K145 WeakPolarHBondContact O-CB 3.21Å; I142-K145 PolarHBondContact O-N 3.37Å; I142-K145 VanDerWaalsContact O-N 3.11Å; I142-E146 HydrophobicContact CG2-CG 4.41Å; I142-E146 WeakPolarHBondContact O-CG 3.3Å; I142-E146 PolarHBondContact O-N 3.25Å |
| 143 | R | 96.8 | Very high | 96.5 | Very high | 90 Ų | 90 | 85 Ų | 85 | 34% | 0.34 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 177.7 | -71.4 | 171.2 | -168.3 | 165.1 | 5.1 | 112.3 | L139 N140 E146 K147 Q180 | L139-R143 WeakPolarHBondContact O-CB 3.49Å; L139-R143 WeakPolarHBondContact O-CG 3.34Å; L139-R143 PolarHBondContact O-N 2.85Å; N140-R143 PolarHBondContact O-N 2.9Å; R143-E146 PolarHBondContact O-N 3.22Å; R143-K147 WeakPolarHBondContact O-CB 3.39Å; R143-K147 PolarHBondContact O-N 2.96Å; R143-Q180 VanDerWaalsContact NH1-CD 3.32Å |
| 144 | A | 97 | Very high | 96.7 | Very high | 53 Ų | 53 | 84.7 Ų | 84.7 | 44% | 0.438 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N140 D141 I142 K147 E148 | N140-A144 WeakPolarHBondContact O-CB 3.37Å; N140-A144 PolarHBondContact O-N 3.35Å; D141-A144 PolarHBondContact O-N 3.36Å; I142-A144 VanDerWaalsContact C-N 3.28Å; I142-A144 PolarHBondContact O-N 3.09Å; A144-K147 PolarHBondContact O-N 3.39Å; A144-E148 WeakPolarHBondContact O-CG 3.42Å; A144-E148 PolarHBondContact O-N 3.44Å |
| 145 | K | 98.1 | Very high | 96.8 | Very high | 146 Ų | 146 | 86.3 Ų | 86.3 | 64% | 0.635 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 174.9 | -70 | 171.3 | -174.4 | 176.8 | 0 | 111.8 | D141 I142 K147 E148 L149 | D141-K145 WeakPolarHBondContact O-CG 3.41Å; D141-K145 PolarHBondContact O-N 3.2Å; I142-K145 WeakPolarHBondContact O-CB 3.21Å; I142-K145 PolarHBondContact O-N 3.37Å; I142-K145 VanDerWaalsContact O-N 3.11Å; K145-K147 VanDerWaalsContact C-N 3.34Å; K145-K147 PolarHBondContact O-N 3.24Å; K145-E148 PolarHBondContact O-N 2.93Å; K145-L149 WeakPolarHBondContact O-CG 3.43Å; K145-L149 PolarHBondContact O-N 2.93Å |
| 146 | E | 97.3 | Very high | 96.7 | Very high | 93 Ų | 93 | 90.6 Ų | 90.6 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 176.5 | -71.7 | 173.2 | 173.3 | 0 | 0 | 111.8 | I142 R143 E148 L149 V150 M173 | I142-E146 HydrophobicContact CG2-CG 4.41Å; I142-E146 WeakPolarHBondContact O-CG 3.3Å; I142-E146 PolarHBondContact O-N 3.25Å; R143-E146 PolarHBondContact O-N 3.22Å; E146-E148 VanDerWaalsContact C-N 3.32Å; E146-E148 PolarHBondContact O-N 3.42Å; E146-L149 WeakPolarHBondContact O-CB 3.29Å; E146-L149 PolarHBondContact O-N 2.94Å; E146-L149 VanDerWaalsContact O-N 3.12Å; E146-V150 WeakPolarHBondContact O-CG2 3.39Å; E146-V150 PolarHBondContact O-N 3.35Å; E146-M173 HydrophobicContact CB-CE 3.87Å |
| 147 | K | 97.6 | Very high | 96.5 | Very high | 30 Ų | 30 | 89.9 Ų | 89.9 | 13% | 0.13 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 176.7 | -171.2 | -178.5 | -179.1 | 179.4 | 0 | 111.5 | R143 A144 K145 V150 K151 L170 M173 E174 E177 | R143-K147 WeakPolarHBondContact O-CB 3.39Å; R143-K147 PolarHBondContact O-N 2.96Å; A144-K147 PolarHBondContact O-N 3.39Å; K145-K147 VanDerWaalsContact C-N 3.34Å; K145-K147 PolarHBondContact O-N 3.24Å; K147-V150 PolarHBondContact O-N 2.93Å; K147-K151 WeakPolarHBondContact O-CG 3.48Å; K147-K151 PolarHBondContact O-N 3.05Å; K147-L170 HydrophobicContact CG-CD1 3.76Å; K147-M173 HydrophobicContact CB-CE 3.93Å; K147-E174 VanDerWaalsContact CE-CG 3.48Å; K147-E177 IonicContact NZ-OE2 3.08Å; K147-E177 PolarHBondContact NZ-OE2 2.88Å |
| 148 | E | 97.9 | Very high | 96 | Very high | 89 Ų | 89 | 94.8 Ų | 94.8 | 42% | 0.416 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 174.9 | -71 | -56.3 | 128.7 | 0 | 0 | 112.5 | A144 K145 E146 K151 K152 | A144-E148 WeakPolarHBondContact O-CG 3.42Å; A144-E148 PolarHBondContact O-N 3.44Å; K145-E148 PolarHBondContact O-N 2.93Å; E146-E148 VanDerWaalsContact C-N 3.32Å; E146-E148 PolarHBondContact O-N 3.42Å; E148-K151 PolarHBondContact O-N 2.93Å; E148-K151 IonicContact OE1-NZ 2.75Å; E148-K151 PolarHBondContact OE1-NZ 2.94Å; E148-K152 VanDerWaalsContact O-CG 3.29Å; E148-K152 WeakPolarHBondContact O-CG 3.49Å; E148-K152 PolarHBondContact O-N 2.91Å |
| 149 | L | 97.9 | Very high | 95.5 | Very high | 100 Ų | 100 | 94.7 Ų | 94.7 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 173.5 | -68.5 | 173.9 | 0 | 0 | 0 | 111.7 | K145 E146 K151 K152 Q153 | K145-L149 WeakPolarHBondContact O-CG 3.43Å; K145-L149 PolarHBondContact O-N 2.93Å; E146-L149 WeakPolarHBondContact O-CB 3.29Å; E146-L149 PolarHBondContact O-N 2.94Å; E146-L149 VanDerWaalsContact O-N 3.12Å; L149-K151 VanDerWaalsContact C-N 3.35Å; L149-K151 PolarHBondContact O-N 2.93Å; L149-K152 WeakPolarHBondContact O-CB 3.41Å; L149-K152 PolarHBondContact O-N 2.73Å; L149-Q153 WeakPolarHBondContact O-CG 3.33Å; L149-Q153 PolarHBondContact O-N 2.89Å |
| 150 | V | 97.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 94.5 Ų | 94.5 | 7% | 0.073 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | E146 K147 K152 Q153 L154 L166 L169 L170 M173 | E146-V150 WeakPolarHBondContact O-CG2 3.39Å; E146-V150 PolarHBondContact O-N 3.35Å; K147-V150 PolarHBondContact O-N 2.93Å; V150-K152 VanDerWaalsContact C-N 3.33Å; V150-K152 PolarHBondContact O-N 3.08Å; V150-Q153 PolarHBondContact O-N 2.92Å; V150-L154 WeakPolarHBondContact O-CB 3.28Å; V150-L154 PolarHBondContact O-N 3.36Å; V150-L166 HydrophobicContact CG1-CD2 4.31Å; V150-L169 HydrophobicContact CG1-CD2 4.45Å; V150-L169 HydrophobicContact CG2-CD2 3.88Å; V150-L169 HydrophobicContact CG2-CG 4.44Å; V150-L170 HydrophobicContact CG1-CB 4.01Å; V150-M173 HydrophobicContact CG2-SD 4.16Å |
| 151 | K | 97.1 | Very high | 95.3 | Very high | 64 Ų | 64 | 100.2 Ų | 100.2 | 28% | 0.278 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 174.3 | -72.4 | 175.8 | -173.5 | 170.6 | 0 | 112.3 | K147 E148 L149 L154 K155 L170 | K147-K151 WeakPolarHBondContact O-CG 3.48Å; K147-K151 PolarHBondContact O-N 3.05Å; E148-K151 PolarHBondContact O-N 2.93Å; E148-K151 IonicContact OE1-NZ 2.75Å; E148-K151 PolarHBondContact OE1-NZ 2.94Å; L149-K151 VanDerWaalsContact C-N 3.35Å; L149-K151 PolarHBondContact O-N 2.93Å; K151-L154 PolarHBondContact O-N 2.92Å; K151-K155 WeakPolarHBondContact O-CG 3.4Å; K151-K155 PolarHBondContact O-N 3.17Å; K151-L170 HydrophobicContact CG-CD1 3.98Å; K151-L170 HydrophobicContact CG-CD2 4.1Å |
| 152 | K | 97.2 | Very high | 95.1 | Very high | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 176.4 | -74.2 | 173.1 | -173.6 | -178.5 | 0 | 111.4 | E148 L149 V150 K155 K156 | E148-K152 VanDerWaalsContact O-CG 3.29Å; E148-K152 WeakPolarHBondContact O-CG 3.49Å; E148-K152 PolarHBondContact O-N 2.91Å; L149-K152 WeakPolarHBondContact O-CB 3.41Å; L149-K152 PolarHBondContact O-N 2.73Å; V150-K152 VanDerWaalsContact C-N 3.33Å; V150-K152 PolarHBondContact O-N 3.08Å; K152-K155 PolarHBondContact O-N 3.32Å; K152-K156 WeakPolarHBondContact O-CG 3.27Å; K152-K156 PolarHBondContact O-N 3.47Å |
| 153 | Q | 95.9 | Very high | 95 | Very high | 91 Ų | 91 | 98.9 Ų | 98.9 | 43% | 0.425 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 175.7 | -70.6 | 175.8 | -10.9 | 0 | 0 | 111.8 | L149 V150 K155 K156 H157 L166 | L149-Q153 WeakPolarHBondContact O-CG 3.33Å; L149-Q153 PolarHBondContact O-N 2.89Å; V150-Q153 PolarHBondContact O-N 2.92Å; Q153-K155 VanDerWaalsContact C-N 3.27Å; Q153-K155 PolarHBondContact O-N 3.01Å; Q153-K156 WeakPolarHBondContact O-CB 3.47Å; Q153-K156 PolarHBondContact O-N 2.98Å; Q153-H157 PolarHBondContact O-CD2 3.46Å; Q153-H157 PolarHBondContact O-N 3.3Å; Q153-H157 VanDerWaalsContact O-N 3.09Å; Q153-L166 HydrophobicContact CB-CD1 3.82Å; Q153-L166 HydrophobicContact CB-CD2 4.26Å |
| 154 | L | 96.2 | Very high | 95 | Very high | 36 Ų | 36 | 100 Ų | 100 | 19% | 0.188 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.4 | -36.3 | 176.5 | -162.4 | 74.1 | 0 | 0 | 0 | 112 | V150 K151 K156 H163 L166 Q167 L170 | V150-L154 WeakPolarHBondContact O-CB 3.28Å; V150-L154 PolarHBondContact O-N 3.36Å; K151-L154 PolarHBondContact O-N 2.92Å; L154-K156 VanDerWaalsContact C-N 3.29Å; L154-K156 PolarHBondContact O-N 2.86Å; L154-H163 WeakPolarHBondContact CD1-CD2 3.48Å; L154-H163 WeakPolarHBondContact CD1-NE2 3.37Å; L154-H163 WeakPolarHBondContact CD1-O 3.41Å; L154-L166 HydrophobicContact CD1-CB 3.67Å; L154-Q167 HydrophobicContact CD1-CB 4.12Å; L154-L170 HydrophobicContact CD2-CD2 4.13Å |
| 155 | K | 95 | Very high | 94.9 | Very high | 185 Ų | 185 | 102.9 Ų | 102.9 | 80% | 0.804 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.3 | -27.8 | 173.7 | -71.6 | 177.8 | -179.6 | -176.4 | 0 | 113.4 | K151 K152 Q153 | K151-K155 WeakPolarHBondContact O-CG 3.4Å; K151-K155 PolarHBondContact O-N 3.17Å; K152-K155 PolarHBondContact O-N 3.32Å; Q153-K155 VanDerWaalsContact C-N 3.27Å; Q153-K155 PolarHBondContact O-N 3.01Å |
| 156 | K | 94.6 | Very high | 94.9 | Very high | 170 Ų | 170 | 96.9 Ų | 96.9 | 74% | 0.739 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -79.1 | -40.2 | 179.7 | -68.9 | 178.7 | -179.8 | -171.1 | 0 | 112.2 | K152 Q153 L154 | K152-K156 WeakPolarHBondContact O-CG 3.27Å; K152-K156 PolarHBondContact O-N 3.47Å; Q153-K156 WeakPolarHBondContact O-CB 3.47Å; Q153-K156 PolarHBondContact O-N 2.98Å; L154-K156 VanDerWaalsContact C-N 3.29Å; L154-K156 PolarHBondContact O-N 2.86Å |
| 157 | H | 91.7 | Very high | 94.8 | Very high | 96 Ų | 96 | 97.5 Ų | 97.5 | 44% | 0.444 | 46% | 0.46 | S | S | . | . | trans | -96.3 | 110.5 | 179.8 | -65.9 | -76.8 | 0 | 0 | 0 | 109.9 | Q153 H163 | Q153-H157 PolarHBondContact O-CD2 3.46Å; Q153-H157 PolarHBondContact O-N 3.3Å; Q153-H157 VanDerWaalsContact O-N 3.09Å; H157-H163 HydrophobicContact CB-CB 4.35Å; H157-H163 PolarHBondContact O-CD2 3.2Å | ||
| 158 | R | 85.3 | Confident | 94.8 | Very high | 235 Ų | 235 | 101.4 Ų | 101.4 | 89% | 0.887 | 48% | 0.478 | S | S | * | . | trans | -85.4 | -26.8 | -175.1 | -161.6 | 156.1 | -178.7 | 139.4 | -4.3 | 114.2 | ||||
| 159 | S | 86.1 | Confident | 94.8 | Very high | 105 Ų | 105 | 100.3 Ų | 100.3 | 73% | 0.734 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -158.5 | 154.8 | -179.8 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 160 | G | 93.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 96.6 Ų | 96.6 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | S | Bend | trans | 121.7 | 174 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E162 H163 E164 | G160-E162 PolarHBondContact O-N 3.43Å; G160-H163 WeakPolarHBondContact O-CB 3.29Å; G160-H163 PolarHBondContact O-N 2.84Å; G160-E164 PolarHBondContact O-N 3.43Å |
| 161 | K | 93.4 | Very high | 94.8 | Very high | 171 Ų | 171 | 101.1 Ų | 101.1 | 74% | 0.743 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -56.8 | -36.4 | -177.7 | -63.8 | -180 | -179.6 | 177.4 | 0 | 112.5 | E164 K165 | K161-E164 PolarHBondContact O-N 3.17Å; K161-K165 VanDerWaalsContact O-CG 3.29Å; K161-K165 WeakPolarHBondContact O-CG 3.42Å; K161-K165 PolarHBondContact O-N 2.96Å; K161-K165 VanDerWaalsContact O-N 3.08Å |
| 162 | E | 93.3 | Very high | 94.8 | Very high | 100 Ų | 100 | 104.6 Ų | 104.6 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69 | -37.4 | 178 | -61.9 | -53.4 | 126.1 | 0 | 0 | 112.5 | G160 K165 L166 | G160-E162 PolarHBondContact O-N 3.43Å; E162-K165 PolarHBondContact O-N 3.35Å; E162-K165 IonicContact OE1-NZ 3.88Å; E162-K165 PolarHBondContact OE1-NZ 3.23Å; E162-K165 IonicContact OE2-NZ 2.67Å; E162-L166 WeakPolarHBondContact O-CB 3.42Å; E162-L166 VanDerWaalsContact O-CG 3.27Å; E162-L166 WeakPolarHBondContact O-CG 3.42Å; E162-L166 PolarHBondContact O-N 3.38Å |
| 163 | H | 95.3 | Very high | 94.8 | Very high | 45 Ų | 45 | 100.2 Ų | 100.2 | 21% | 0.208 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 175.2 | 174.2 | -92.9 | 0 | 0 | 0 | 111.3 | L154 H157 G160 K165 L166 Q167 | L154-H163 WeakPolarHBondContact CD1-CD2 3.48Å; L154-H163 WeakPolarHBondContact CD1-NE2 3.37Å; L154-H163 WeakPolarHBondContact CD1-O 3.41Å; H157-H163 HydrophobicContact CB-CB 4.35Å; H157-H163 PolarHBondContact O-CD2 3.2Å; G160-H163 WeakPolarHBondContact O-CB 3.29Å; G160-H163 PolarHBondContact O-N 2.84Å; H163-K165 PolarHBondContact O-N 2.96Å; H163-L166 PolarHBondContact O-N 3.38Å; H163-Q167 WeakPolarHBondContact O-CB 3.46Å; H163-Q167 PolarHBondContact O-N 3.03Å |
| 164 | E | 96.3 | Very high | 94.9 | Very high | 113 Ų | 113 | 99.6 Ų | 99.6 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.1 | -68 | 176.6 | -176.9 | 0 | 0 | 112.1 | G160 K161 L166 Q167 Q168 | G160-E164 PolarHBondContact O-N 3.43Å; K161-E164 PolarHBondContact O-N 3.17Å; E164-L166 PolarHBondContact O-N 3.16Å; E164-Q167 PolarHBondContact O-N 3.36Å; E164-Q168 WeakPolarHBondContact O-CB 3.3Å; E164-Q168 VanDerWaalsContact O-CG 3.29Å; E164-Q168 WeakPolarHBondContact O-CG 3.47Å; E164-Q168 PolarHBondContact O-N 3.2Å |
| 165 | K | 96.4 | Very high | 94.9 | Very high | 115 Ų | 115 | 103.3 Ų | 103.3 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 175.1 | -72.6 | 172 | -173.5 | 173.3 | 0 | 111.6 | K161 E162 H163 Q168 L169 | K161-K165 VanDerWaalsContact O-CG 3.29Å; K161-K165 WeakPolarHBondContact O-CG 3.42Å; K161-K165 PolarHBondContact O-N 2.96Å; K161-K165 VanDerWaalsContact O-N 3.08Å; E162-K165 PolarHBondContact O-N 3.35Å; E162-K165 IonicContact OE1-NZ 3.88Å; E162-K165 PolarHBondContact OE1-NZ 3.23Å; E162-K165 IonicContact OE2-NZ 2.67Å; H163-K165 PolarHBondContact O-N 2.96Å; K165-Q168 PolarHBondContact O-N 3.14Å; K165-L169 WeakPolarHBondContact O-CB 3.41Å; K165-L169 PolarHBondContact O-N 3.28Å |
| 166 | L | 96.9 | Very high | 95 | Very high | 20 Ų | 20 | 99.5 Ų | 99.5 | 11% | 0.105 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 178.3 | -72 | 170.6 | 0 | 0 | 0 | 111.8 | V150 Q153 L154 E162 H163 E164 L169 L170 | V150-L166 HydrophobicContact CG1-CD2 4.31Å; Q153-L166 HydrophobicContact CB-CD1 3.82Å; Q153-L166 HydrophobicContact CB-CD2 4.26Å; L154-L166 HydrophobicContact CD1-CB 3.67Å; E162-L166 WeakPolarHBondContact O-CB 3.42Å; E162-L166 VanDerWaalsContact O-CG 3.27Å; E162-L166 WeakPolarHBondContact O-CG 3.42Å; E162-L166 PolarHBondContact O-N 3.38Å; H163-L166 PolarHBondContact O-N 3.38Å; E164-L166 PolarHBondContact O-N 3.16Å; L166-L169 PolarHBondContact O-N 3.33Å; L166-L170 WeakPolarHBondContact O-CB 3.24Å; L166-L170 PolarHBondContact O-N 3.42Å |
| 167 | Q | 96.6 | Very high | 95 | Very high | 106 Ų | 106 | 95.1 Ų | 95.1 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 176.2 | -172.7 | 178.9 | 6.5 | 0 | 0 | 111.5 | L154 H163 E164 L169 L170 Q171 | L154-Q167 HydrophobicContact CD1-CB 4.12Å; H163-Q167 WeakPolarHBondContact O-CB 3.46Å; H163-Q167 PolarHBondContact O-N 3.03Å; E164-Q167 PolarHBondContact O-N 3.36Å; Q167-L169 VanDerWaalsContact C-N 3.33Å; Q167-L169 PolarHBondContact O-N 3.42Å; Q167-L170 PolarHBondContact O-N 3.06Å; Q167-Q171 WeakPolarHBondContact O-CB 3.41Å; Q167-Q171 PolarHBondContact O-N 3.02Å |
| 168 | Q | 97 | Very high | 95.2 | Very high | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.6 | -71.2 | 174.7 | 16.8 | 0 | 0 | 111.8 | E164 K165 Q171 R172 | E164-Q168 WeakPolarHBondContact O-CB 3.3Å; E164-Q168 VanDerWaalsContact O-CG 3.29Å; E164-Q168 WeakPolarHBondContact O-CG 3.47Å; E164-Q168 PolarHBondContact O-N 3.2Å; K165-Q168 PolarHBondContact O-N 3.14Å; Q168-Q171 PolarHBondContact O-N 3.35Å; Q168-R172 WeakPolarHBondContact O-CB 3.39Å; Q168-R172 PolarHBondContact O-N 2.94Å |
| 169 | L | 97.4 | Very high | 95.6 | Very high | 67 Ų | 67 | 86.8 Ų | 86.8 | 35% | 0.351 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 175.6 | 179.1 | 60.3 | 0 | 0 | 0 | 111.1 | V150 K165 L166 Q167 Q171 R172 M173 | V150-L169 HydrophobicContact CG1-CD2 4.45Å; V150-L169 HydrophobicContact CG2-CD2 3.88Å; V150-L169 HydrophobicContact CG2-CG 4.44Å; K165-L169 WeakPolarHBondContact O-CB 3.41Å; K165-L169 PolarHBondContact O-N 3.28Å; L166-L169 PolarHBondContact O-N 3.33Å; Q167-L169 VanDerWaalsContact C-N 3.33Å; Q167-L169 PolarHBondContact O-N 3.42Å; L169-Q171 VanDerWaalsContact C-N 3.33Å; L169-Q171 PolarHBondContact O-N 3Å; L169-R172 WeakPolarHBondContact O-CB 3.31Å; L169-R172 PolarHBondContact O-N 3.16Å; L169-R172 VanDerWaalsContact O-N 3.17Å; L169-M173 HydrophobicContact CD1-CG 4.41Å; L169-M173 HydrophobicContact CG-SD 4.37Å; L169-M173 WeakPolarHBondContact O-CG 3.5Å; L169-M173 PolarHBondContact O-N 3.4Å |
| 170 | L | 97.5 | Very high | 96 | Very high | 22 Ų | 22 | 85 Ų | 85 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 177.2 | 179.9 | 61.3 | 0 | 0 | 0 | 111.2 | K147 V150 K151 L154 L166 Q167 R172 M173 E174 | K147-L170 HydrophobicContact CG-CD1 3.76Å; V150-L170 HydrophobicContact CG1-CB 4.01Å; K151-L170 HydrophobicContact CG-CD1 3.98Å; K151-L170 HydrophobicContact CG-CD2 4.1Å; L154-L170 HydrophobicContact CD2-CD2 4.13Å; L166-L170 WeakPolarHBondContact O-CB 3.24Å; L166-L170 PolarHBondContact O-N 3.42Å; Q167-L170 PolarHBondContact O-N 3.06Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 PolarHBondContact O-N 3.24Å; L170-M173 PolarHBondContact O-N 3.42Å; L170-E174 HydrophobicContact CD1-CG 4.48Å; L170-E174 WeakPolarHBondContact O-CG 3.46Å; L170-E174 PolarHBondContact O-N 2.91Å |
| 171 | Q | 97.6 | Very high | 95.9 | Very high | 106 Ų | 106 | 86.8 Ų | 86.8 | 50% | 0.495 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 177.4 | -171.4 | -173.8 | 15.6 | 0 | 0 | 111.7 | Q167 Q168 L169 E174 Q175 | Q167-Q171 WeakPolarHBondContact O-CB 3.41Å; Q167-Q171 PolarHBondContact O-N 3.02Å; Q168-Q171 PolarHBondContact O-N 3.35Å; L169-Q171 VanDerWaalsContact C-N 3.33Å; L169-Q171 PolarHBondContact O-N 3Å; Q171-E174 PolarHBondContact O-N 3.37Å; Q171-Q175 WeakPolarHBondContact O-CB 3.45Å; Q171-Q175 VanDerWaalsContact O-CG 3.26Å; Q171-Q175 WeakPolarHBondContact O-CG 3.36Å; Q171-Q175 PolarHBondContact O-N 3.4Å |
| 172 | R | 97.9 | Very high | 95.9 | Very high | 138 Ų | 138 | 83.2 Ų | 83.2 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.2 | -175 | -173.9 | -63.2 | 151.4 | 1.9 | 111.4 | Q168 L169 L170 E174 Q175 Q176 | Q168-R172 WeakPolarHBondContact O-CB 3.39Å; Q168-R172 PolarHBondContact O-N 2.94Å; L169-R172 WeakPolarHBondContact O-CB 3.31Å; L169-R172 PolarHBondContact O-N 3.16Å; L169-R172 VanDerWaalsContact O-N 3.17Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 PolarHBondContact O-N 3.24Å; R172-E174 VanDerWaalsContact C-N 3.34Å; R172-E174 PolarHBondContact O-N 2.89Å; R172-Q175 PolarHBondContact O-N 3.03Å; R172-Q176 WeakPolarHBondContact O-CB 3.33Å; R172-Q176 VanDerWaalsContact O-CG 3.3Å; R172-Q176 WeakPolarHBondContact O-CG 3.28Å; R172-Q176 PolarHBondContact O-N 2.88Å |
| 173 | M | 97.3 | Very high | 95.8 | Very high | 30 Ų | 30 | 83.9 Ų | 83.9 | 15% | 0.148 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 177.4 | -68.6 | -179.8 | 80.1 | 0 | 0 | 111.2 | E146 K147 V150 L169 L170 Q176 E177 | E146-M173 HydrophobicContact CB-CE 3.87Å; K147-M173 HydrophobicContact CB-CE 3.93Å; V150-M173 HydrophobicContact CG2-SD 4.16Å; L169-M173 HydrophobicContact CD1-CG 4.41Å; L169-M173 HydrophobicContact CG-SD 4.37Å; L169-M173 WeakPolarHBondContact O-CG 3.5Å; L169-M173 PolarHBondContact O-N 3.4Å; L170-M173 PolarHBondContact O-N 3.42Å; M173-Q176 PolarHBondContact O-N 3.17Å; M173-E177 WeakPolarHBondContact O-CB 3.49Å; M173-E177 PolarHBondContact O-N 2.83Å |
| 174 | E | 97.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 84.6 Ų | 84.6 | 37% | 0.369 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 176.1 | -73.5 | 177.1 | 170.2 | 0 | 0 | 112.3 | K147 L170 Q171 R172 Q176 E177 M178 | K147-E174 VanDerWaalsContact CE-CG 3.48Å; L170-E174 HydrophobicContact CD1-CG 4.48Å; L170-E174 WeakPolarHBondContact O-CG 3.46Å; L170-E174 PolarHBondContact O-N 2.91Å; Q171-E174 PolarHBondContact O-N 3.37Å; R172-E174 VanDerWaalsContact C-N 3.34Å; R172-E174 PolarHBondContact O-N 2.89Å; E174-Q176 PolarHBondContact O-N 3.07Å; E174-E177 PolarHBondContact O-N 3.1Å; E174-M178 WeakPolarHBondContact O-CB 3.43Å; E174-M178 VanDerWaalsContact O-CG 3.28Å; E174-M178 WeakPolarHBondContact O-CG 3.46Å; E174-M178 PolarHBondContact O-N 3.22Å |
| 175 | Q | 97.1 | Very high | 95.4 | Very high | 113 Ų | 113 | 83.9 Ų | 83.9 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.9 | -73.6 | 173.3 | 16.8 | 0 | 0 | 112.2 | Q171 R172 A179 | Q171-Q175 WeakPolarHBondContact O-CB 3.45Å; Q171-Q175 VanDerWaalsContact O-CG 3.26Å; Q171-Q175 WeakPolarHBondContact O-CG 3.36Å; Q171-Q175 PolarHBondContact O-N 3.4Å; R172-Q175 PolarHBondContact O-N 3.03Å; Q175-A179 VanDerWaalsContact O-CB 3.29Å; Q175-A179 WeakPolarHBondContact O-CB 3.4Å; Q175-A179 PolarHBondContact O-N 2.98Å |
| 176 | Q | 95.9 | Very high | 95 | Very high | 106 Ų | 106 | 83.7 Ų | 83.7 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 176.3 | -74.3 | 176.8 | -4 | 0 | 0 | 111.7 | R172 M173 E174 A179 Q180 | R172-Q176 WeakPolarHBondContact O-CB 3.33Å; R172-Q176 VanDerWaalsContact O-CG 3.3Å; R172-Q176 WeakPolarHBondContact O-CG 3.28Å; R172-Q176 PolarHBondContact O-N 2.88Å; M173-Q176 PolarHBondContact O-N 3.17Å; E174-Q176 PolarHBondContact O-N 3.07Å; Q176-A179 PolarHBondContact O-N 3.38Å; Q176-Q180 WeakPolarHBondContact O-CB 3.5Å; Q176-Q180 VanDerWaalsContact O-CG 3.28Å; Q176-Q180 WeakPolarHBondContact O-CG 3.39Å; Q176-Q180 PolarHBondContact O-N 2.98Å |
| 177 | E | 95.6 | Very high | 94.7 | Very high | 78 Ų | 78 | 84.8 Ų | 84.8 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 176.3 | -175.1 | -178.7 | -177.7 | 0 | 0 | 111.3 | K147 M173 E174 A179 Q180 Q181 | K147-E177 IonicContact NZ-OE2 3.08Å; K147-E177 PolarHBondContact NZ-OE2 2.88Å; M173-E177 WeakPolarHBondContact O-CB 3.49Å; M173-E177 PolarHBondContact O-N 2.83Å; E174-E177 PolarHBondContact O-N 3.1Å; E177-A179 PolarHBondContact O-N 3.22Å; E177-Q180 PolarHBondContact O-N 3.48Å; E177-Q181 WeakPolarHBondContact O-CG 3.47Å; E177-Q181 PolarHBondContact O-N 3.01Å |
| 178 | M | 94.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 85.8 Ų | 85.8 | 49% | 0.493 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 176.4 | -69.7 | -58.4 | -56.5 | 0 | 0 | 111.7 | E174 Q180 Q181 E182 | E174-M178 WeakPolarHBondContact O-CB 3.43Å; E174-M178 VanDerWaalsContact O-CG 3.28Å; E174-M178 WeakPolarHBondContact O-CG 3.46Å; E174-M178 PolarHBondContact O-N 3.22Å; M178-Q180 VanDerWaalsContact C-N 3.31Å; M178-Q180 PolarHBondContact O-N 2.83Å; M178-Q181 PolarHBondContact O-N 3.36Å; M178-E182 WeakPolarHBondContact O-CG 3.33Å; M178-E182 PolarHBondContact O-N 3.25Å |
| 179 | A | 95.4 | Very high | 94.2 | Very high | 55 Ų | 55 | 84.3 Ų | 84.3 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q175 Q176 E177 R183 | Q175-A179 VanDerWaalsContact O-CB 3.29Å; Q175-A179 WeakPolarHBondContact O-CB 3.4Å; Q175-A179 PolarHBondContact O-N 2.98Å; Q176-A179 PolarHBondContact O-N 3.38Å; E177-A179 PolarHBondContact O-N 3.22Å; A179-R183 WeakPolarHBondContact O-CB 3.39Å; A179-R183 PolarHBondContact O-N 3.16Å |
| 180 | Q | 93 | Very high | 93.8 | Very high | 67 Ų | 67 | 86.2 Ų | 86.2 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 174.5 | -74.9 | 175.3 | 14.1 | 0 | 0 | 111.7 | R143 Q176 E177 M178 R183 K184 | R143-Q180 VanDerWaalsContact NH1-CD 3.32Å; Q176-Q180 WeakPolarHBondContact O-CB 3.5Å; Q176-Q180 VanDerWaalsContact O-CG 3.28Å; Q176-Q180 WeakPolarHBondContact O-CG 3.39Å; Q176-Q180 PolarHBondContact O-N 2.98Å; E177-Q180 PolarHBondContact O-N 3.48Å; M178-Q180 VanDerWaalsContact C-N 3.31Å; M178-Q180 PolarHBondContact O-N 2.83Å; Q180-R183 PolarHBondContact O-N 3.16Å; Q180-K184 WeakPolarHBondContact O-CG 3.47Å; Q180-K184 PolarHBondContact O-N 3.03Å |
| 181 | Q | 93 | Very high | 93.5 | Very high | 80 Ų | 80 | 87.9 Ų | 87.9 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 176.2 | -70.7 | 175.3 | 6.8 | 0 | 0 | 111.4 | E177 M178 R183 K184 Q185 | E177-Q181 WeakPolarHBondContact O-CG 3.47Å; E177-Q181 PolarHBondContact O-N 3.01Å; M178-Q181 PolarHBondContact O-N 3.36Å; Q181-R183 VanDerWaalsContact C-N 3.29Å; Q181-R183 PolarHBondContact O-N 2.86Å; Q181-K184 PolarHBondContact O-N 3.31Å; Q181-Q185 WeakPolarHBondContact O-CG 3.37Å; Q181-Q185 PolarHBondContact O-N 3.37Å |
| 182 | E | 91.9 | Very high | 93.3 | Very high | 97 Ų | 97 | 84.7 Ų | 84.7 | 45% | 0.453 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.9 | -40.9 | 175.2 | -74 | -176.3 | -173.9 | 0 | 0 | 111.9 | M178 Q186 | M178-E182 WeakPolarHBondContact O-CG 3.33Å; M178-E182 PolarHBondContact O-N 3.25Å; E182-Q186 VanDerWaalsContact O-CG 3.27Å; E182-Q186 WeakPolarHBondContact O-CG 3.26Å; E182-Q186 PolarHBondContact O-N 2.85Å |
| 183 | R | 91.8 | Very high | 92.9 | Very high | 114 Ų | 114 | 81.5 Ų | 81.5 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.4 | -172.4 | -177.9 | -175.4 | -168.7 | 1.5 | 111.7 | A179 Q180 Q181 Q186 Q187 | A179-R183 WeakPolarHBondContact O-CB 3.39Å; A179-R183 PolarHBondContact O-N 3.16Å; Q180-R183 PolarHBondContact O-N 3.16Å; Q181-R183 VanDerWaalsContact C-N 3.29Å; Q181-R183 PolarHBondContact O-N 2.86Å; R183-Q186 PolarHBondContact O-N 3.39Å; R183-Q187 WeakPolarHBondContact O-CG 3.45Å; R183-Q187 PolarHBondContact O-N 2.88Å |
| 184 | K | 91.9 | Very high | 92.7 | Very high | 60 Ų | 60 | 85.2 Ų | 85.2 | 26% | 0.261 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 177.5 | -72.5 | -179.1 | -177.9 | -176.2 | 0 | 111.4 | Q180 Q181 Q186 Q187 E188 | Q180-K184 WeakPolarHBondContact O-CG 3.47Å; Q180-K184 PolarHBondContact O-N 3.03Å; Q181-K184 PolarHBondContact O-N 3.31Å; K184-Q186 VanDerWaalsContact C-N 3.32Å; K184-Q186 PolarHBondContact O-N 3.39Å; K184-Q187 WeakPolarHBondContact O-CB 3.3Å; K184-Q187 PolarHBondContact O-N 2.95Å; K184-Q187 VanDerWaalsContact O-N 3.09Å; K184-E188 WeakPolarHBondContact O-CG 3.38Å; K184-E188 PolarHBondContact O-N 3.07Å |
| 185 | Q | 90.6 | Very high | 92.6 | Very high | 98 Ų | 98 | 87.7 Ų | 87.7 | 46% | 0.458 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 175.7 | -71.2 | 172.4 | 4.1 | 0 | 0 | 111.9 | Q181 Q187 E188 L189 | Q181-Q185 WeakPolarHBondContact O-CG 3.37Å; Q181-Q185 PolarHBondContact O-N 3.37Å; Q185-Q187 VanDerWaalsContact C-N 3.33Å; Q185-Q187 PolarHBondContact O-N 3.3Å; Q185-E188 PolarHBondContact O-N 3.46Å; Q185-L189 VanDerWaalsContact O-CG 3.29Å; Q185-L189 WeakPolarHBondContact O-CG 3.42Å; Q185-L189 PolarHBondContact O-N 3.08Å |
| 186 | Q | 89.4 | Confident | 92.4 | Very high | 111 Ų | 111 | 87.8 Ų | 87.8 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.1 | -72.6 | 171.2 | 21.7 | 0 | 0 | 112.6 | E182 R183 K184 H190 | E182-Q186 VanDerWaalsContact O-CG 3.27Å; E182-Q186 WeakPolarHBondContact O-CG 3.26Å; E182-Q186 PolarHBondContact O-N 2.85Å; R183-Q186 PolarHBondContact O-N 3.39Å; K184-Q186 VanDerWaalsContact C-N 3.32Å; K184-Q186 PolarHBondContact O-N 3.39Å; Q186-H190 WeakPolarHBondContact O-CB 3.32Å; Q186-H190 PolarHBondContact O-N 3.01Å |
| 187 | Q | 90.4 | Very high | 92.2 | Very high | 43 Ų | 43 | 85.5 Ų | 85.5 | 20% | 0.201 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 175.6 | -72.5 | 170.7 | -6.1 | 0 | 0 | 111.4 | R183 K184 Q185 L189 H190 L191 | R183-Q187 WeakPolarHBondContact O-CG 3.45Å; R183-Q187 PolarHBondContact O-N 2.88Å; K184-Q187 WeakPolarHBondContact O-CB 3.3Å; K184-Q187 PolarHBondContact O-N 2.95Å; K184-Q187 VanDerWaalsContact O-N 3.09Å; Q185-Q187 VanDerWaalsContact C-N 3.33Å; Q185-Q187 PolarHBondContact O-N 3.3Å; Q187-L189 PolarHBondContact O-N 2.92Å; Q187-H190 PolarHBondContact O-N 2.96Å; Q187-H190 VanDerWaalsContact O-N 3.16Å; Q187-L191 WeakPolarHBondContact O-CB 3.43Å; Q187-L191 VanDerWaalsContact O-CG 3.3Å; Q187-L191 WeakPolarHBondContact O-CG 3.47Å; Q187-L191 PolarHBondContact O-N 3.3Å |
| 188 | E | 91.6 | Very high | 92.2 | Very high | 126 Ų | 126 | 89.1 Ų | 89.1 | 59% | 0.589 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.8 | -46.2 | 177.3 | -73.4 | 170.2 | -173.7 | 0 | 0 | 111.5 | K184 Q185 H190 L191 A192 | K184-E188 WeakPolarHBondContact O-CG 3.38Å; K184-E188 PolarHBondContact O-N 3.07Å; Q185-E188 PolarHBondContact O-N 3.46Å; E188-H190 VanDerWaalsContact C-N 3.34Å; E188-H190 PolarHBondContact O-N 3.01Å; E188-L191 PolarHBondContact O-N 3.38Å; E188-A192 WeakPolarHBondContact O-CB 3.47Å; E188-A192 PolarHBondContact O-N 3.11Å |
| 189 | L | 90.1 | Very high | 92.1 | Very high | 80 Ų | 80 | 86.2 Ų | 86.2 | 42% | 0.419 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 174.4 | -70.2 | 172.5 | 0 | 0 | 0 | 111.8 | Q185 Q187 L191 A192 L193 E222 | Q185-L189 VanDerWaalsContact O-CG 3.29Å; Q185-L189 WeakPolarHBondContact O-CG 3.42Å; Q185-L189 PolarHBondContact O-N 3.08Å; Q187-L189 PolarHBondContact O-N 2.92Å; L189-L191 VanDerWaalsContact C-N 3.35Å; L189-L191 PolarHBondContact O-N 3.21Å; L189-A192 PolarHBondContact O-N 3.33Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.26Å; L189-E222 WeakPolarHBondContact CD1-OE2 3.48Å |
| 190 | H | 89.3 | Confident | 92.1 | Very high | 107 Ų | 107 | 87.7 Ų | 87.7 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.8 | -178.9 | -98.7 | 0 | 0 | 0 | 112.3 | Q186 Q187 E188 K194 | Q186-H190 WeakPolarHBondContact O-CB 3.32Å; Q186-H190 PolarHBondContact O-N 3.01Å; Q187-H190 PolarHBondContact O-N 2.96Å; Q187-H190 VanDerWaalsContact O-N 3.16Å; E188-H190 VanDerWaalsContact C-N 3.34Å; E188-H190 PolarHBondContact O-N 3.01Å; H190-K194 WeakPolarHBondContact O-CB 3.44Å; H190-K194 PolarHBondContact O-N 3.1Å |
| 191 | L | 91.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 86.6 Ų | 86.6 | 30% | 0.304 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.5 | -71.1 | 173.4 | 0 | 0 | 0 | 111.2 | Q187 E188 L189 K194 Q195 | Q187-L191 WeakPolarHBondContact O-CB 3.43Å; Q187-L191 VanDerWaalsContact O-CG 3.3Å; Q187-L191 WeakPolarHBondContact O-CG 3.47Å; Q187-L191 PolarHBondContact O-N 3.3Å; E188-L191 PolarHBondContact O-N 3.38Å; L189-L191 VanDerWaalsContact C-N 3.35Å; L189-L191 PolarHBondContact O-N 3.21Å; L191-K194 WeakPolarHBondContact O-CB 3.41Å; L191-K194 PolarHBondContact O-N 3.03Å; L191-K194 VanDerWaalsContact O-N 3.1Å; L191-Q195 WeakPolarHBondContact O-CG 3.41Å; L191-Q195 PolarHBondContact O-N 3.05Å |
| 192 | A | 92.2 | Very high | 92.2 | Very high | 39 Ų | 39 | 90.1 Ų | 90.1 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.6 | -50.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E188 L189 K194 Q195 E196 | E188-A192 WeakPolarHBondContact O-CB 3.47Å; E188-A192 PolarHBondContact O-N 3.11Å; L189-A192 PolarHBondContact O-N 3.33Å; A192-K194 PolarHBondContact O-N 3.14Å; A192-Q195 WeakPolarHBondContact O-CB 3.39Å; A192-Q195 PolarHBondContact O-N 3.49Å; A192-E196 WeakPolarHBondContact O-CG 3.43Å; A192-E196 PolarHBondContact O-N 3.24Å |
| 193 | L | 91.6 | Very high | 92.3 | Very high | 70 Ų | 70 | 92.1 Ų | 92.1 | 37% | 0.366 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.8 | -33.2 | 175.4 | -70.5 | 175 | 0 | 0 | 0 | 112.7 | L189 R197 | L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.26Å; L193-R197 WeakPolarHBondContact O-CB 3.25Å; L193-R197 VanDerWaalsContact O-CG 3.26Å; L193-R197 WeakPolarHBondContact O-CG 3.41Å; L193-R197 PolarHBondContact O-N 3.25Å; L193-R197 PolarHBondContact O-NE 3.44Å |
| 194 | K | 92.7 | Very high | 92.4 | Very high | 108 Ų | 108 | 89.9 Ų | 89.9 | 47% | 0.47 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.7 | -38.3 | 175.5 | -171.5 | 179.7 | 179.9 | -178.7 | 0 | 111.5 | H190 L191 A192 R198 | H190-K194 WeakPolarHBondContact O-CB 3.44Å; H190-K194 PolarHBondContact O-N 3.1Å; L191-K194 WeakPolarHBondContact O-CB 3.41Å; L191-K194 PolarHBondContact O-N 3.03Å; L191-K194 VanDerWaalsContact O-N 3.1Å; A192-K194 PolarHBondContact O-N 3.14Å; K194-R198 PolarHBondContact O-N 3.46Å; K194-R198 VanDerWaalsContact O-N 3.11Å |
| 195 | Q | 94.3 | Very high | 92.5 | Very high | 132 Ų | 132 | 92.6 Ų | 92.6 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.3 | -46.6 | 177 | -70.4 | 174.2 | 10.2 | 0 | 0 | 111.5 | L191 A192 R197 R198 A199 | L191-Q195 WeakPolarHBondContact O-CG 3.41Å; L191-Q195 PolarHBondContact O-N 3.05Å; A192-Q195 WeakPolarHBondContact O-CB 3.39Å; A192-Q195 PolarHBondContact O-N 3.49Å; Q195-R197 VanDerWaalsContact C-N 3.34Å; Q195-R197 PolarHBondContact O-N 3.15Å; Q195-R198 WeakPolarHBondContact O-CA 3.31Å; Q195-R198 WeakPolarHBondContact O-CB 3.45Å; Q195-R198 PolarHBondContact O-N 2.73Å; Q195-A199 PolarHBondContact O-N 2.9Å |
| 196 | E | 93 | Very high | 92.4 | Very high | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.4 | -46.1 | 176.1 | -71.9 | 175.3 | 179.3 | 0 | 0 | 111.8 | A192 R198 A199 Q200 | A192-E196 WeakPolarHBondContact O-CG 3.43Å; A192-E196 PolarHBondContact O-N 3.24Å; E196-R198 VanDerWaalsContact C-N 3.3Å; E196-R198 PolarHBondContact O-N 3.08Å; E196-A199 PolarHBondContact O-N 3.35Å; E196-Q200 WeakPolarHBondContact O-CG 3.48Å; E196-Q200 PolarHBondContact O-N 2.84Å |
| 197 | R | 91.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 96.2 Ų | 96.2 | 22% | 0.215 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 174.9 | -77.3 | 178.7 | -70 | 167.4 | -5.2 | 112.4 | L193 Q195 A201 F209 | L193-R197 WeakPolarHBondContact O-CB 3.25Å; L193-R197 VanDerWaalsContact O-CG 3.26Å; L193-R197 WeakPolarHBondContact O-CG 3.41Å; L193-R197 PolarHBondContact O-N 3.25Å; L193-R197 PolarHBondContact O-NE 3.44Å; Q195-R197 VanDerWaalsContact C-N 3.34Å; Q195-R197 PolarHBondContact O-N 3.15Å; R197-A201 WeakPolarHBondContact O-CB 3.45Å; R197-A201 PolarHBondContact O-N 2.99Å; R197-F209 VanDerWaalsContact NH1-CD1 3.28Å |
| 198 | R | 94.6 | Very high | 92.4 | Very high | 154 Ų | 154 | 100.6 Ų | 100.6 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -41.7 | 176.6 | -177.3 | -176.4 | -72.7 | 177.5 | -5.9 | 110.9 | K194 Q195 E196 A201 Q202 | K194-R198 PolarHBondContact O-N 3.46Å; K194-R198 VanDerWaalsContact O-N 3.11Å; Q195-R198 WeakPolarHBondContact O-CA 3.31Å; Q195-R198 WeakPolarHBondContact O-CB 3.45Å; Q195-R198 PolarHBondContact O-N 2.73Å; E196-R198 VanDerWaalsContact C-N 3.3Å; E196-R198 PolarHBondContact O-N 3.08Å; R198-A201 WeakPolarHBondContact O-CB 3.41Å; R198-A201 PolarHBondContact O-N 3.28Å; R198-Q202 VanDerWaalsContact O-CG 3.31Å; R198-Q202 WeakPolarHBondContact O-CG 3.37Å; R198-Q202 PolarHBondContact O-N 3.41Å |
| 199 | A | 94.6 | Very high | 92.3 | Very high | 40 Ų | 40 | 101.2 Ų | 101.2 | 33% | 0.331 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q195 E196 A201 Q202 Q203 | Q195-A199 PolarHBondContact O-N 2.9Å; E196-A199 PolarHBondContact O-N 3.35Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-A201 PolarHBondContact O-N 3.19Å; A199-Q202 WeakPolarHBondContact O-CB 3.29Å; A199-Q202 PolarHBondContact O-N 3.05Å; A199-Q202 VanDerWaalsContact O-N 3.16Å; A199-Q203 WeakPolarHBondContact O-CG 3.36Å; A199-Q203 PolarHBondContact O-N 3.16Å |
| 200 | Q | 94.1 | Very high | 92.3 | Very high | 85 Ų | 85 | 100 Ų | 100 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 174.1 | -71.7 | 177.1 | -8.2 | 0 | 0 | 112.1 | E196 Q202 Q203 G204 H205 | E196-Q200 WeakPolarHBondContact O-CG 3.48Å; E196-Q200 PolarHBondContact O-N 2.84Å; Q200-Q202 VanDerWaalsContact C-N 3.34Å; Q200-Q203 WeakPolarHBondContact O-CB 3.27Å; Q200-Q203 PolarHBondContact O-N 3.01Å; Q200-G204 PolarHBondContact O-N 2.94Å; Q200-H205 HydrophobicContact CB-CB 4.34Å; Q200-H205 WeakPolarHBondContact O-CB 3.42Å; Q200-H205 PolarHBondContact O-N 2.94Å |
| 201 | A | 94.4 | Very high | 92.6 | Very high | 44 Ų | 44 | 101.1 Ų | 101.1 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | R197 R198 A199 Q203 G204 P207 | R197-A201 WeakPolarHBondContact O-CB 3.45Å; R197-A201 PolarHBondContact O-N 2.99Å; R198-A201 WeakPolarHBondContact O-CB 3.41Å; R198-A201 PolarHBondContact O-N 3.28Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-A201 PolarHBondContact O-N 3.19Å; A201-Q203 VanDerWaalsContact C-N 3.26Å; A201-Q203 PolarHBondContact O-N 3.35Å; A201-G204 PolarHBondContact O-N 3.12Å; A201-P207 HydrophobicContact CB-CG 3.73Å |
| 202 | Q | 94.3 | Very high | 92.6 | Very high | 154 Ų | 154 | 106 Ų | 106 | 72% | 0.72 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -31.6 | 176.6 | -73.3 | 171.4 | -5.3 | 0 | 0 | 112.3 | R198 A199 Q200 G204 | R198-Q202 VanDerWaalsContact O-CG 3.31Å; R198-Q202 WeakPolarHBondContact O-CG 3.37Å; R198-Q202 PolarHBondContact O-N 3.41Å; A199-Q202 WeakPolarHBondContact O-CB 3.29Å; A199-Q202 PolarHBondContact O-N 3.05Å; A199-Q202 VanDerWaalsContact O-N 3.16Å; Q200-Q202 VanDerWaalsContact C-N 3.34Å; Q202-G204 PolarHBondContact O-N 3.28Å |
| 203 | Q | 94.1 | Very high | 92.8 | Very high | 139 Ų | 139 | 107.1 Ų | 107.1 | 65% | 0.65 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -5.6 | 172.7 | -67.7 | 169.9 | -5.2 | 0 | 0 | 113.3 | A199 Q200 A201 | A199-Q203 WeakPolarHBondContact O-CG 3.36Å; A199-Q203 PolarHBondContact O-N 3.16Å; Q200-Q203 WeakPolarHBondContact O-CB 3.27Å; Q200-Q203 PolarHBondContact O-N 3.01Å; A201-Q203 VanDerWaalsContact C-N 3.26Å; A201-Q203 PolarHBondContact O-N 3.35Å |
| 204 | G | 94.3 | Very high | 92.8 | Very high | 67 Ų | 67 | 105.9 Ų | 105.9 | 69% | 0.691 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | 2.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q200 A201 Q202 | Q200-G204 PolarHBondContact O-N 2.94Å; A201-G204 PolarHBondContact O-N 3.12Å; Q202-G204 PolarHBondContact O-N 3.28Å |
| 205 | H | 92.8 | Very high | 92.7 | Very high | 117 Ų | 117 | 105.5 Ų | 105.5 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 143.1 | 172.3 | -64.8 | -64.5 | 0 | 0 | 0 | 110.9 | Q200 P207 | Q200-H205 HydrophobicContact CB-CB 4.34Å; Q200-H205 WeakPolarHBondContact O-CB 3.42Å; Q200-H205 PolarHBondContact O-N 2.94Å; H205-P207 VanDerWaalsContact O-CD 3.29Å; H205-P207 WeakPolarHBondContact O-CD 3.3Å |
| 206 | R | 89.9 | Confident | 92.6 | Very high | 234 Ų | 234 | 107.6 Ų | 107.6 | 88% | 0.883 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -68 | 119.3 | 177.1 | -178.2 | 171.8 | 138.8 | 147.4 | -5.1 | 110.1 | Y208 | R206-Y208 PolarHBondContact O-N 2.91Š|
| 207 | P | 89.5 | Confident | 92.7 | Very high | 52 Ų | 52 | 108.3 Ų | 108.3 | 34% | 0.338 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 125.6 | -177.7 | -23.8 | 35 | 0 | 0 | 0 | 111.5 | A201 H205 F209 | A201-P207 HydrophobicContact CB-CG 3.73Å; H205-P207 VanDerWaalsContact O-CD 3.29Å; H205-P207 WeakPolarHBondContact O-CD 3.3Å; P207-F209 HydrophobicContact CB-CE2 4.08Å; P207-F209 HydrophobicContact CB-CZ 4.4Å |
| 208 | Y | 89.1 | Confident | 92.6 | Very high | 135 Ų | 135 | 109.7 Ų | 109.7 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 131.2 | 175.3 | -177.3 | -109.1 | 0 | 0 | 0 | 110.9 | R206 L210 E214 | R206-Y208 PolarHBondContact O-N 2.91Å; Y208-L210 HydrophobicContact CD1-CD2 4.38Å; Y208-L210 HydrophobicContact CE1-CD2 3.85Å; Y208-L210 HydrophobicContact CE1-CG 4.36Å; Y208-E214 PolarHBondContact OH-OE2 2.95Å |
| 209 | F | 89.9 | Confident | 92.4 | Very high | 138 Ų | 138 | 104.4 Ų | 104.4 | 61% | 0.605 | 51% | 0.514 | S | S | * | . | trans | -107.8 | 110.4 | 177.8 | -63.3 | -93.2 | 0 | 0 | 0 | 109 | R197 P207 K211 | R197-F209 VanDerWaalsContact NH1-CD1 3.28Å; P207-F209 HydrophobicContact CB-CE2 4.08Å; P207-F209 HydrophobicContact CB-CZ 4.4Å; F209-K211 PolarHBondContact O-N 3.5Å | ||
| 210 | L | 90.2 | Very high | 92.4 | Very high | 55 Ų | 55 | 108.2 Ų | 108.2 | 29% | 0.288 | 53% | 0.528 | S | S | . | . | trans | -55.8 | 135.7 | 176.4 | -69.8 | 162.9 | 0 | 0 | 0 | 110.6 | Y208 E214 Q215 L218 | Y208-L210 HydrophobicContact CD1-CD2 4.38Å; Y208-L210 HydrophobicContact CE1-CD2 3.85Å; Y208-L210 HydrophobicContact CE1-CG 4.36Å; L210-E214 WeakPolarHBondContact CA-OE2 3.33Å; L210-E214 HydrophobicContact CB-CB 4.38Å; L210-E214 HydrophobicContact CD2-CB 4.08Å; L210-Q215 HydrophobicContact CB-CG 3.86Å; L210-Q215 PolarHBondContact O-NE2 3.14Å; L210-Q215 VanDerWaalsContact O-NE2 3.1Å; L210-L218 HydrophobicContact CD1-CD1 3.59Å | ||
| 211 | K | 95.2 | Very high | 92.4 | Very high | 131 Ų | 131 | 106.2 Ų | 106.2 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | trans | -64 | 155.1 | 173.1 | -65.3 | 178.4 | -177.4 | 169.8 | 0 | 109.9 | F209 S213 E214 Q215 | F209-K211 PolarHBondContact O-N 3.5Å; K211-S213 PolarHBondContact O-N 3.29Å; K211-S213 VanDerWaalsContact O-N 3.14Å; K211-E214 HydrophobicContact CB-CG 4.25Å; K211-E214 PolarHBondContact N-OE2 3.46Å; K211-E214 PolarHBondContact O-N 3Å; K211-Q215 WeakPolarHBondContact O-CG 2.96Å; K211-Q215 PolarHBondContact O-N 3.16Å | ||
| 212 | K | 92.3 | Very high | 92.2 | Very high | 160 Ų | 160 | 108.5 Ų | 108.5 | 70% | 0.696 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -56.7 | -32.2 | 176.2 | -65.7 | -177.1 | -179.2 | 178.2 | 0 | 112.6 | R216 | K212-R216 VanDerWaalsContact O-CG 3.25Å; K212-R216 WeakPolarHBondContact O-CG 3.25Å; K212-R216 PolarHBondContact O-N 3.31Å; K212-R216 VanDerWaalsContact O-N 3.16Å |
| 213 | S | 95.3 | Very high | 92.1 | Very high | 62 Ų | 62 | 106.3 Ų | 106.3 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 174.9 | 47.8 | 0 | 0 | 0 | 0 | 112.2 | K211 R216 Q217 | K211-S213 PolarHBondContact O-N 3.29Å; K211-S213 VanDerWaalsContact O-N 3.14Å; S213-R216 WeakPolarHBondContact O-CB 3.23Å; S213-R216 PolarHBondContact O-N 3.24Å; S213-Q217 WeakPolarHBondContact O-CG 3.41Å; S213-Q217 PolarHBondContact O-N 2.86Å |
| 214 | E | 92.8 | Very high | 92.2 | Very high | 45 Ų | 45 | 104.2 Ų | 104.2 | 21% | 0.21 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 178.8 | -67.1 | 157.5 | -165.8 | 0 | 0 | 110.6 | Y208 L210 K211 R216 Q217 L218 | Y208-E214 PolarHBondContact OH-OE2 2.95Å; L210-E214 WeakPolarHBondContact CA-OE2 3.33Å; L210-E214 HydrophobicContact CB-CB 4.38Å; L210-E214 HydrophobicContact CD2-CB 4.08Å; K211-E214 HydrophobicContact CB-CG 4.25Å; K211-E214 PolarHBondContact N-OE2 3.46Å; K211-E214 PolarHBondContact O-N 3Å; E214-R216 VanDerWaalsContact C-N 3.28Å; E214-R216 PolarHBondContact O-N 2.97Å; E214-Q217 WeakPolarHBondContact O-CB 3.47Å; E214-Q217 PolarHBondContact O-N 3.33Å; E214-L218 WeakPolarHBondContact O-CG 3.48Å; E214-L218 PolarHBondContact O-N 3.02Å |
| 215 | Q | 90.9 | Very high | 92.2 | Very high | 99 Ų | 99 | 107 Ų | 107 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.9 | -42.6 | 173.1 | -68 | 174 | 1.3 | 0 | 0 | 112 | L210 K211 L218 A219 | L210-Q215 HydrophobicContact CB-CG 3.86Å; L210-Q215 PolarHBondContact O-NE2 3.14Å; L210-Q215 VanDerWaalsContact O-NE2 3.1Å; K211-Q215 WeakPolarHBondContact O-CG 2.96Å; K211-Q215 PolarHBondContact O-N 3.16Å; Q215-L218 PolarHBondContact O-N 2.79Å; Q215-A219 WeakPolarHBondContact O-CB 3.38Å; Q215-A219 PolarHBondContact O-N 2.98Å |
| 216 | R | 91.9 | Very high | 92.2 | Very high | 176 Ų | 176 | 106.8 Ų | 106.8 | 66% | 0.664 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 175.7 | -72.3 | 169.9 | -173.8 | -179 | 1.8 | 112 | K212 S213 E214 A219 L220 | K212-R216 VanDerWaalsContact O-CG 3.25Å; K212-R216 WeakPolarHBondContact O-CG 3.25Å; K212-R216 PolarHBondContact O-N 3.31Å; K212-R216 VanDerWaalsContact O-N 3.16Å; S213-R216 WeakPolarHBondContact O-CB 3.23Å; S213-R216 PolarHBondContact O-N 3.24Å; E214-R216 VanDerWaalsContact C-N 3.28Å; E214-R216 PolarHBondContact O-N 2.97Å; R216-A219 PolarHBondContact O-N 3.18Å; R216-L220 WeakPolarHBondContact O-CB 3.08Å; R216-L220 VanDerWaalsContact O-CG 3.24Å; R216-L220 WeakPolarHBondContact O-CG 3.5Å; R216-L220 PolarHBondContact O-N 2.84Å |
| 217 | Q | 94.2 | Very high | 92.5 | Very high | 131 Ų | 131 | 97.7 Ų | 97.7 | 61% | 0.612 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 177.1 | -72.1 | 173.3 | -3.5 | 0 | 0 | 111.5 | S213 E214 L220 A221 | S213-Q217 WeakPolarHBondContact O-CG 3.41Å; S213-Q217 PolarHBondContact O-N 2.86Å; E214-Q217 WeakPolarHBondContact O-CB 3.47Å; E214-Q217 PolarHBondContact O-N 3.33Å; Q217-L220 PolarHBondContact O-N 2.91Å; Q217-A221 WeakPolarHBondContact O-CB 3.35Å; Q217-A221 PolarHBondContact O-N 2.96Å |
| 218 | L | 91 | Very high | 92.8 | Very high | 85 Ų | 85 | 102 Ų | 102 | 45% | 0.445 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 174.7 | -68.3 | 175.6 | 0 | 0 | 0 | 111.3 | L210 E214 Q215 L220 A221 E222 | L210-L218 HydrophobicContact CD1-CD1 3.59Å; E214-L218 WeakPolarHBondContact O-CG 3.48Å; E214-L218 PolarHBondContact O-N 3.02Å; Q215-L218 PolarHBondContact O-N 2.79Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.19Å; L218-A221 WeakPolarHBondContact O-CB 3.45Å; L218-A221 PolarHBondContact O-N 2.73Å; L218-A221 VanDerWaalsContact O-N 3.08Å; L218-E222 PolarHBondContact O-N 3.05Å |
| 219 | A | 90.5 | Very high | 93.2 | Very high | 44 Ų | 44 | 105.4 Ų | 105.4 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.1 | -37.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q215 R216 K223 | Q215-A219 WeakPolarHBondContact O-CB 3.38Å; Q215-A219 PolarHBondContact O-N 2.98Å; R216-A219 PolarHBondContact O-N 3.18Å; A219-K223 WeakPolarHBondContact O-CB 3.48Å; A219-K223 WeakPolarHBondContact O-CG 3.42Å; A219-K223 PolarHBondContact O-N 3.28Å |
| 220 | L | 92.9 | Very high | 93.4 | Very high | 119 Ų | 119 | 101.3 Ų | 101.3 | 62% | 0.623 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.4 | -39.9 | 174.2 | -74.4 | 172.6 | 0 | 0 | 0 | 112.1 | R216 Q217 L218 K223 F224 | R216-L220 WeakPolarHBondContact O-CB 3.08Å; R216-L220 VanDerWaalsContact O-CG 3.24Å; R216-L220 WeakPolarHBondContact O-CG 3.5Å; R216-L220 PolarHBondContact O-N 2.84Å; Q217-L220 PolarHBondContact O-N 2.91Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.19Å; L220-K223 PolarHBondContact O-N 3.35Å; L220-F224 WeakPolarHBondContact O-CB 3.42Å; L220-F224 PolarHBondContact O-N 3.42Å |
| 221 | A | 94.1 | Very high | 93.6 | Very high | 43 Ų | 43 | 107.7 Ų | 107.7 | 36% | 0.355 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q217 L218 F224 K225 | Q217-A221 WeakPolarHBondContact O-CB 3.35Å; Q217-A221 PolarHBondContact O-N 2.96Å; L218-A221 WeakPolarHBondContact O-CB 3.45Å; L218-A221 PolarHBondContact O-N 2.73Å; L218-A221 VanDerWaalsContact O-N 3.08Å; A221-F224 WeakPolarHBondContact O-CB 3.43Å; A221-F224 PolarHBondContact O-N 3.16Å; A221-K225 VanDerWaalsContact O-CG 3.31Å; A221-K225 WeakPolarHBondContact O-CG 3.08Å; A221-K225 PolarHBondContact O-N 2.99Å |
| 222 | E | 91.9 | Very high | 93.7 | Very high | 92 Ų | 92 | 107.8 Ų | 107.8 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -49.7 | 174.1 | -72.4 | -179.9 | 168.1 | 0 | 0 | 111.9 | L189 L218 F224 K225 E226 | L189-E222 WeakPolarHBondContact CD1-OE2 3.48Å; L218-E222 PolarHBondContact O-N 3.05Å; E222-F224 PolarHBondContact O-N 2.77Å; E222-K225 WeakPolarHBondContact O-CB 3.39Å; E222-K225 PolarHBondContact O-N 3.29Å; E222-E226 PolarHBondContact O-N 3.02Å |
| 223 | K | 92.1 | Very high | 93.8 | Very high | 108 Ų | 108 | 101 Ų | 101 | 47% | 0.47 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.1 | -38.3 | 174.8 | -74.7 | -173.5 | 179.6 | -165.9 | 0 | 112.1 | A219 L220 E226 L227 | A219-K223 WeakPolarHBondContact O-CB 3.48Å; A219-K223 WeakPolarHBondContact O-CG 3.42Å; A219-K223 PolarHBondContact O-N 3.28Å; L220-K223 PolarHBondContact O-N 3.35Å; K223-E226 PolarHBondContact O-N 2.77Å; K223-L227 WeakPolarHBondContact O-CB 3.27Å; K223-L227 VanDerWaalsContact O-CG 3.28Å; K223-L227 WeakPolarHBondContact O-CG 3.43Å; K223-L227 PolarHBondContact O-N 3.43Å |
| 224 | F | 95.4 | Very high | 93.9 | Very high | 96 Ų | 96 | 103.7 Ų | 103.7 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 175.2 | -177.5 | -86.9 | 0 | 0 | 0 | 111.6 | L220 A221 E222 E226 L227 K228 L233 | L220-F224 WeakPolarHBondContact O-CB 3.42Å; L220-F224 PolarHBondContact O-N 3.42Å; A221-F224 WeakPolarHBondContact O-CB 3.43Å; A221-F224 PolarHBondContact O-N 3.16Å; E222-F224 PolarHBondContact O-N 2.77Å; F224-E226 VanDerWaalsContact C-N 3.34Å; F224-E226 PolarHBondContact O-N 3.31Å; F224-L227 PolarHBondContact O-N 3.5Å; F224-K228 HydrophobicContact CE1-CD 4.41Å; F224-K228 WeakPolarHBondContact O-CB 3.35Å; F224-K228 PolarHBondContact O-N 3.43Å; F224-L233 HydrophobicContact CD2-CD1 3.54Å; F224-L233 HydrophobicContact CD2-CD2 4.27Å; F224-L233 HydrophobicContact CE1-CD2 4.06Å; F224-L233 HydrophobicContact CE2-CD1 3.5Å; F224-L233 HydrophobicContact CE2-CD2 3.57Å; F224-L233 HydrophobicContact CE2-CG 4.11Å; F224-L233 HydrophobicContact CG-CD1 4.34Å; F224-L233 HydrophobicContact CZ-CD1 4.25Å; F224-L233 HydrophobicContact CZ-CD2 3.44Å; F224-L233 VanDerWaalsContact CZ-CD2 3.44Å; F224-L233 HydrophobicContact CZ-CG 4.45Å |
| 225 | K | 95 | Very high | 94.1 | Very high | 124 Ų | 124 | 106.6 Ų | 106.6 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 175.6 | -70.6 | 170.7 | -175.5 | 179 | 0 | 111.2 | A221 E222 K228 R229 | A221-K225 VanDerWaalsContact O-CG 3.31Å; A221-K225 WeakPolarHBondContact O-CG 3.08Å; A221-K225 PolarHBondContact O-N 2.99Å; E222-K225 WeakPolarHBondContact O-CB 3.39Å; E222-K225 PolarHBondContact O-N 3.29Å; K225-K228 PolarHBondContact O-N 3.4Å; K225-R229 VanDerWaalsContact O-CG 3.29Å; K225-R229 WeakPolarHBondContact O-CG 3.13Å; K225-R229 PolarHBondContact O-N 3.45Å |
| 226 | E | 92.6 | Very high | 94.3 | Very high | 114 Ų | 114 | 107 Ų | 107 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 176.8 | -168.7 | -169.7 | 169.3 | 0 | 0 | 112.3 | E222 K223 F224 K228 R229 S230 | E222-E226 PolarHBondContact O-N 3.02Å; K223-E226 PolarHBondContact O-N 2.77Å; F224-E226 VanDerWaalsContact C-N 3.34Å; F224-E226 PolarHBondContact O-N 3.31Å; E226-K228 VanDerWaalsContact C-N 3.3Å; E226-K228 PolarHBondContact O-N 3.48Å; E226-R229 PolarHBondContact O-N 3.17Å; E226-S230 WeakPolarHBondContact O-CB 3.47Å; E226-S230 PolarHBondContact O-N 3.47Å; E226-S230 PolarHBondContact O-OG 3.23Å |
| 227 | L | 95.2 | Very high | 94.5 | Very high | 42 Ų | 42 | 101 Ų | 101 | 22% | 0.22 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 175.6 | -73.5 | 174.7 | 0 | 0 | 0 | 112.5 | K223 F224 S230 K231 K232 L233 F236 | K223-L227 WeakPolarHBondContact O-CB 3.27Å; K223-L227 VanDerWaalsContact O-CG 3.28Å; K223-L227 WeakPolarHBondContact O-CG 3.43Å; K223-L227 PolarHBondContact O-N 3.43Å; F224-L227 PolarHBondContact O-N 3.5Å; L227-S230 WeakPolarHBondContact CA-OG 3.49Å; L227-S230 PolarHBondContact O-OG 2.85Å; L227-K231 PolarHBondContact O-N 3.37Å; L227-K231 VanDerWaalsContact O-N 3.15Å; L227-K232 HydrophobicContact CD2-CB 4.1Å; L227-K232 PolarHBondContact O-N 3.14Å; L227-L233 HydrophobicContact CB-CB 4.18Å; L227-L233 HydrophobicContact CB-CD1 4.11Å; L227-L233 PolarHBondContact O-N 2.99Å; L227-F236 HydrophobicContact CD1-CB 4.1Å; L227-F236 HydrophobicContact CD1-CD1 3.88Å; L227-F236 HydrophobicContact CD1-CD2 4.15Å; L227-F236 HydrophobicContact CD1-CE1 4.34Å; L227-F236 HydrophobicContact CD1-CG 3.77Å |
| 228 | K | 96.6 | Very high | 94.6 | Very high | 142 Ų | 142 | 98 Ų | 98 | 62% | 0.617 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.6 | -45.5 | 174.2 | -169.6 | 176.4 | -178.9 | 179.2 | 0 | 110.8 | F224 K225 E226 S230 K231 L233 | F224-K228 HydrophobicContact CE1-CD 4.41Å; F224-K228 WeakPolarHBondContact O-CB 3.35Å; F224-K228 PolarHBondContact O-N 3.43Å; K225-K228 PolarHBondContact O-N 3.4Å; E226-K228 VanDerWaalsContact C-N 3.3Å; E226-K228 PolarHBondContact O-N 3.48Å; K228-S230 PolarHBondContact O-N 2.74Å; K228-K231 PolarHBondContact O-N 3.17Å; K228-L233 HydrophobicContact CB-CD2 4.22Å; K228-L233 HydrophobicContact CG-CD2 4.44Å |
| 229 | R | 96.6 | Very high | 94.9 | Very high | 207 Ų | 207 | 101.9 Ų | 101.9 | 78% | 0.781 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 175.2 | -73.8 | 172 | -179.2 | 165.5 | -1.5 | 111.9 | K225 E226 K231 | K225-R229 VanDerWaalsContact O-CG 3.29Å; K225-R229 WeakPolarHBondContact O-CG 3.13Å; K225-R229 PolarHBondContact O-N 3.45Å; E226-R229 PolarHBondContact O-N 3.17Å; R229-K231 PolarHBondContact O-N 3.06Å |
| 230 | S | 93.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 104.8 Ų | 104.8 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 2.1 | 179 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | E226 L227 K228 K232 | E226-S230 WeakPolarHBondContact O-CB 3.47Å; E226-S230 PolarHBondContact O-N 3.47Å; E226-S230 PolarHBondContact O-OG 3.23Å; L227-S230 WeakPolarHBondContact CA-OG 3.49Å; L227-S230 PolarHBondContact O-OG 2.85Å; K228-S230 PolarHBondContact O-N 2.74Å; S230-K232 PolarHBondContact O-N 3.28Å |
| 231 | K | 95.4 | Very high | 95.3 | Very high | 190 Ų | 190 | 106.4 Ų | 106.4 | 83% | 0.826 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 19.3 | -176.5 | -57.2 | 179.9 | -178.8 | 177.3 | 0 | 114.4 | L227 K228 R229 | L227-K231 PolarHBondContact O-N 3.37Å; L227-K231 VanDerWaalsContact O-N 3.15Å; K228-K231 PolarHBondContact O-N 3.17Å; R229-K231 PolarHBondContact O-N 3.06Å |
| 232 | K | 96.2 | Very high | 95.4 | Very high | 133 Ų | 133 | 114.4 Ų | 114.4 | 58% | 0.578 | 51% | 0.507 | S | S | * | . | trans | -95 | -0.8 | 179.7 | -70.2 | 171.8 | -173.7 | 175.2 | 0 | 113.1 | L227 S230 N235 F236 | L227-K232 HydrophobicContact CD2-CB 4.1Å; L227-K232 PolarHBondContact O-N 3.14Å; S230-K232 PolarHBondContact O-N 3.28Å; K232-N235 PolarHBondContact O-N 3.3Å; K232-F236 PolarHBondContact O-N 2.85Å | ||
| 233 | L | 96.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 118.2 Ų | 118.2 | 9% | 0.094 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -59.6 | -50.4 | -174.4 | -179.1 | 63 | 0 | 0 | 0 | 113.3 | F224 L227 K228 N235 F236 L237 | F224-L233 HydrophobicContact CD2-CD1 3.54Å; F224-L233 HydrophobicContact CD2-CD2 4.27Å; F224-L233 HydrophobicContact CE1-CD2 4.06Å; F224-L233 HydrophobicContact CE2-CD1 3.5Å; F224-L233 HydrophobicContact CE2-CD2 3.57Å; F224-L233 HydrophobicContact CE2-CG 4.11Å; F224-L233 HydrophobicContact CG-CD1 4.34Å; F224-L233 HydrophobicContact CZ-CD1 4.25Å; F224-L233 HydrophobicContact CZ-CD2 3.44Å; F224-L233 VanDerWaalsContact CZ-CD2 3.44Å; F224-L233 HydrophobicContact CZ-CG 4.45Å; L227-L233 HydrophobicContact CB-CB 4.18Å; L227-L233 HydrophobicContact CB-CD1 4.11Å; L227-L233 PolarHBondContact O-N 2.99Å; K228-L233 HydrophobicContact CB-CD2 4.22Å; K228-L233 HydrophobicContact CG-CD2 4.44Å; L233-N235 VanDerWaalsContact C-N 3.33Å; L233-N235 PolarHBondContact O-N 3.19Å; L233-F236 WeakPolarHBondContact O-CB 3.21Å; L233-F236 PolarHBondContact O-N 2.92Å; L233-F236 VanDerWaalsContact O-N 3.09Å; L233-L237 HydrophobicContact CD1-CD1 4.16Å; L233-L237 HydrophobicContact CD1-CG 4.11Å; L233-L237 HydrophobicContact CG-CD1 4.05Å; L233-L237 HydrophobicContact CG-CG 4.37Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 3.35Å |
| 234 | E | 95.9 | Very high | 95.7 | Very high | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | -178.1 | -69.9 | -52.7 | 131.1 | 0 | 0 | 112.1 | F236 L237 S238 | E234-F236 VanDerWaalsContact C-N 3.32Å; E234-F236 PolarHBondContact O-N 2.95Å; E234-L237 PolarHBondContact O-N 3.34Å; E234-S238 VanDerWaalsContact O-CB 3.29Å; E234-S238 WeakPolarHBondContact O-CB 3.43Å; E234-S238 PolarHBondContact O-N 3.12Å |
| 235 | N | 96.8 | Very high | 95.7 | Very high | 106 Ų | 106 | 114.3 Ų | 114.3 | 57% | 0.567 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -40.4 | 175.5 | -74.5 | -25.7 | 0 | 0 | 0 | 112 | K232 L233 R239 | K232-N235 PolarHBondContact O-N 3.3Å; L233-N235 VanDerWaalsContact C-N 3.33Å; L233-N235 PolarHBondContact O-N 3.19Å; N235-R239 WeakPolarHBondContact O-CB 3.45Å; N235-R239 VanDerWaalsContact O-CG 3.26Å; N235-R239 WeakPolarHBondContact O-CG 3.42Å; N235-R239 PolarHBondContact O-N 2.95Å |
| 236 | F | 95.9 | Very high | 95.6 | Very high | 106 Ų | 106 | 110 Ų | 110 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 175.9 | 179.8 | -94.1 | 0 | 0 | 0 | 111.6 | L227 K232 L233 E234 R239 K240 | L227-F236 HydrophobicContact CD1-CB 4.1Å; L227-F236 HydrophobicContact CD1-CD1 3.88Å; L227-F236 HydrophobicContact CD1-CD2 4.15Å; L227-F236 HydrophobicContact CD1-CE1 4.34Å; L227-F236 HydrophobicContact CD1-CG 3.77Å; K232-F236 PolarHBondContact O-N 2.85Å; L233-F236 WeakPolarHBondContact O-CB 3.21Å; L233-F236 PolarHBondContact O-N 2.92Å; L233-F236 VanDerWaalsContact O-N 3.09Å; E234-F236 VanDerWaalsContact C-N 3.32Å; E234-F236 PolarHBondContact O-N 2.95Å; F236-R239 PolarHBondContact O-N 3.02Å; F236-K240 WeakPolarHBondContact O-CB 3.44Å; F236-K240 PolarHBondContact O-N 3.49Å |
| 237 | L | 96.2 | Very high | 95.7 | Very high | 50 Ų | 50 | 110.5 Ų | 110.5 | 26% | 0.262 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 178.1 | -69 | 178.8 | 0 | 0 | 0 | 111.6 | L233 E234 R239 K240 R241 | L233-L237 HydrophobicContact CD1-CD1 4.16Å; L233-L237 HydrophobicContact CD1-CG 4.11Å; L233-L237 HydrophobicContact CG-CD1 4.05Å; L233-L237 HydrophobicContact CG-CG 4.37Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 3.35Å; E234-L237 PolarHBondContact O-N 3.34Å; L237-R239 PolarHBondContact O-N 3.01Å; L237-K240 PolarHBondContact O-N 3.02Å; L237-K240 VanDerWaalsContact O-N 3.15Å; L237-R241 WeakPolarHBondContact O-CB 3.22Å; L237-R241 VanDerWaalsContact O-CG 3.29Å; L237-R241 WeakPolarHBondContact O-CG 3.17Å; L237-R241 PolarHBondContact O-N 3.32Å |
| 238 | S | 96.4 | Very high | 95.5 | Very high | 68 Ų | 68 | 113.1 Ų | 113.1 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.6 | -50 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | E234 K240 R241 R242 | E234-S238 VanDerWaalsContact O-CB 3.29Å; E234-S238 WeakPolarHBondContact O-CB 3.43Å; E234-S238 PolarHBondContact O-N 3.12Å; S238-K240 VanDerWaalsContact C-N 3.3Å; S238-K240 PolarHBondContact O-N 3.49Å; S238-R241 PolarHBondContact O-N 2.8Å; S238-R242 PolarHBondContact O-N 3.32Å |
| 239 | R | 96.2 | Very high | 95.2 | Very high | 168 Ų | 168 | 115.5 Ų | 115.5 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -38.2 | 175.6 | -72.5 | 173.2 | -179.5 | -172.4 | 0.4 | 112 | N235 F236 L237 R243 | N235-R239 WeakPolarHBondContact O-CB 3.45Å; N235-R239 VanDerWaalsContact O-CG 3.26Å; N235-R239 WeakPolarHBondContact O-CG 3.42Å; N235-R239 PolarHBondContact O-N 2.95Å; F236-R239 PolarHBondContact O-N 3.02Å; L237-R239 PolarHBondContact O-N 3.01Å; R239-R243 WeakPolarHBondContact O-CG 3.3Å; R239-R243 PolarHBondContact O-N 3.05Å |
| 240 | K | 95.4 | Very high | 94.8 | Very high | 105 Ų | 105 | 115.8 Ų | 115.8 | 46% | 0.457 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 178 | -169.6 | 71.4 | -178 | -169.2 | 0 | 111.5 | F236 L237 S238 R242 R243 N244 | F236-K240 WeakPolarHBondContact O-CB 3.44Å; F236-K240 PolarHBondContact O-N 3.49Å; L237-K240 PolarHBondContact O-N 3.02Å; L237-K240 VanDerWaalsContact O-N 3.15Å; S238-K240 VanDerWaalsContact C-N 3.3Å; S238-K240 PolarHBondContact O-N 3.49Å; K240-R242 PolarHBondContact O-N 3.24Å; K240-R243 PolarHBondContact O-N 2.78Å; K240-N244 WeakPolarHBondContact O-CB 3.46Å; K240-N244 PolarHBondContact O-N 3.08Å; K240-N244 PolarHBondContact O-OD1 3.42Å |
| 241 | R | 96.6 | Very high | 94.5 | Very high | 153 Ų | 153 | 121.1 Ų | 121.1 | 58% | 0.577 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -55.9 | -48.8 | 174 | -71.4 | 175.4 | -163.7 | 147.4 | 5.7 | 110.6 | L237 S238 R243 N244 A245 | L237-R241 WeakPolarHBondContact O-CB 3.22Å; L237-R241 VanDerWaalsContact O-CG 3.29Å; L237-R241 WeakPolarHBondContact O-CG 3.17Å; L237-R241 PolarHBondContact O-N 3.32Å; S238-R241 PolarHBondContact O-N 2.8Å; R241-R243 PolarHBondContact O-N 3.18Å; R241-N244 PolarHBondContact O-N 3.23Å; R241-A245 WeakPolarHBondContact O-CB 3.33Å; R241-A245 PolarHBondContact O-N 3.09Å |
| 242 | R | 96.4 | Very high | 94 | Very high | 210 Ų | 210 | 117.3 Ų | 117.3 | 79% | 0.792 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.9 | -43.1 | 177.1 | -174.7 | 177.1 | 175.8 | -178.6 | -0.5 | 113 | S238 K240 G246 | S238-R242 PolarHBondContact O-N 3.32Å; K240-R242 PolarHBondContact O-N 3.24Å; R242-G246 PolarHBondContact O-N 2.93Å; R242-G246 VanDerWaalsContact O-N 3.07Å |
| 243 | R | 96.1 | Very high | 93.5 | Very high | 173 Ų | 173 | 116.6 Ų | 116.6 | 65% | 0.653 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.4 | -39.1 | 177.4 | -72.3 | -179.9 | -156.3 | -173.4 | 5.2 | 112.4 | R239 K240 R241 G246 K247 | R239-R243 WeakPolarHBondContact O-CG 3.3Å; R239-R243 PolarHBondContact O-N 3.05Å; K240-R243 PolarHBondContact O-N 2.78Å; R241-R243 PolarHBondContact O-N 3.18Å; R243-G246 PolarHBondContact O-N 3.11Å; R243-K247 WeakPolarHBondContact O-CG 3.36Å; R243-K247 PolarHBondContact O-N 2.92Å |
| 244 | N | 95.6 | Very high | 92.8 | Very high | 65 Ų | 65 | 123.4 Ų | 123.4 | 35% | 0.348 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.8 | -49.8 | 177.4 | -72 | 1.6 | 0 | 0 | 0 | 110.4 | K240 R241 G246 K247 D248 | K240-N244 WeakPolarHBondContact O-CB 3.46Å; K240-N244 PolarHBondContact O-N 3.08Å; K240-N244 PolarHBondContact O-OD1 3.42Å; R241-N244 PolarHBondContact O-N 3.23Å; N244-G246 PolarHBondContact O-N 3.37Å; N244-K247 CarbonylContact O-C 3.23Å; N244-K247 WeakPolarHBondContact O-CA 3.47Å; N244-K247 WeakPolarHBondContact O-CB 3.45Å; N244-K247 PolarHBondContact O-N 3.04Å; N244-D248 PolarHBondContact O-N 3.41Å |
| 245 | A | 94.5 | Very high | 91.8 | Very high | 57 Ų | 57 | 123 Ų | 123 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -55.1 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R241 K247 D248 R249 | R241-A245 WeakPolarHBondContact O-CB 3.33Å; R241-A245 PolarHBondContact O-N 3.09Å; A245-K247 VanDerWaalsContact C-N 3.31Å; A245-K247 PolarHBondContact O-N 2.94Å; A245-D248 PolarHBondContact O-N 3.22Å; A245-R249 VanDerWaalsContact O-CB 3.3Å; A245-R249 WeakPolarHBondContact O-CB 3.07Å; A245-R249 PolarHBondContact O-N 3.43Å |
| 246 | G | 93.3 | Very high | 90.1 | Very high | 34 Ų | 34 | 127.7 Ų | 127.7 | 35% | 0.351 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.5 | -26.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R242 R243 N244 | R242-G246 PolarHBondContact O-N 2.93Å; R242-G246 VanDerWaalsContact O-N 3.07Å; R243-G246 PolarHBondContact O-N 3.11Å; N244-G246 PolarHBondContact O-N 3.37Å |
| 247 | K | 93.8 | Very high | 88 | Confident | 124 Ų | 124 | 134.9 Ų | 134.9 | 54% | 0.539 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -78.9 | -45.9 | 171.9 | -70.3 | 178.7 | 178.1 | -167.2 | 0 | 111 | R243 N244 A245 R249 R250 H251 | R243-K247 WeakPolarHBondContact O-CG 3.36Å; R243-K247 PolarHBondContact O-N 2.92Å; N244-K247 CarbonylContact O-C 3.23Å; N244-K247 WeakPolarHBondContact O-CA 3.47Å; N244-K247 WeakPolarHBondContact O-CB 3.45Å; N244-K247 PolarHBondContact O-N 3.04Å; A245-K247 VanDerWaalsContact C-N 3.31Å; A245-K247 PolarHBondContact O-N 2.94Å; K247-R249 VanDerWaalsContact C-N 3.26Å; K247-R249 PolarHBondContact O-N 2.88Å; K247-R250 VanDerWaalsContact O-CB 3.31Å; K247-R250 WeakPolarHBondContact O-CB 3.49Å; K247-R250 PolarHBondContact O-N 2.6Å; K247-H251 PolarHBondContact O-CD2 3.32Å |
| 248 | D | 92.1 | Very high | 87.6 | Confident | 96 Ų | 96 | 139.2 Ų | 139.2 | 51% | 0.513 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -60.8 | -40.1 | -179.7 | -56.9 | -22.9 | 0 | 0 | 0 | 110.2 | N244 A245 R250 H251 L252 | N244-D248 PolarHBondContact O-N 3.41Å; A245-D248 PolarHBondContact O-N 3.22Å; D248-R250 PolarHBondContact O-N 2.67Å; D248-R250 VanDerWaalsContact O-N 3.17Å; D248-H251 PolarHBondContact O-N 2.94Å; D248-L252 PolarHBondContact O-N 3.29Å |
| 249 | R | 90.1 | Very high | 87.1 | Confident | 193 Ų | 193 | 142.9 Ų | 142.9 | 73% | 0.728 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -58.5 | -27.2 | 173.4 | -166.9 | 176.7 | 75 | 167.4 | 6 | 114.1 | A245 K247 H251 | A245-R249 VanDerWaalsContact O-CB 3.3Å; A245-R249 WeakPolarHBondContact O-CB 3.07Å; A245-R249 PolarHBondContact O-N 3.43Å; K247-R249 VanDerWaalsContact C-N 3.26Å; K247-R249 PolarHBondContact O-N 2.88Å; R249-H251 VanDerWaalsContact C-N 3.28Å |
| 250 | R | 88 | Confident | 86.6 | Confident | 212 Ų | 212 | 141.5 Ų | 141.5 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.9 | -24.2 | 175.7 | -64.6 | 175.7 | -180 | -165.8 | -4.5 | 112.7 | K247 D248 | K247-R250 VanDerWaalsContact O-CB 3.31Å; K247-R250 WeakPolarHBondContact O-CB 3.49Å; K247-R250 PolarHBondContact O-N 2.6Å; D248-R250 PolarHBondContact O-N 2.67Å; D248-R250 VanDerWaalsContact O-N 3.17Å |
| 251 | H | 86.6 | Confident | 86.1 | Confident | 164 Ų | 164 | 143.6 Ų | 143.6 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -93.5 | -9.1 | 179.2 | -66.7 | -69.2 | 0 | 0 | 0 | 112.6 | K247 D248 R249 | K247-H251 PolarHBondContact O-CD2 3.32Å; D248-H251 PolarHBondContact O-N 2.94Å; R249-H251 VanDerWaalsContact C-N 3.28Å |
| 252 | L | 86.3 | Confident | 85.4 | Confident | 111 Ų | 111 | 143.1 Ų | 143.1 | 58% | 0.581 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -80.9 | 142.1 | 171.4 | -68.3 | 173 | 0 | 0 | 0 | 110 | D248 L254 | D248-L252 PolarHBondContact O-N 3.29Å; L252-L254 PolarHBondContact O-N 2.93Å |
| 253 | P | 85.8 | Confident | 84.7 | Confident | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | trans | -59.9 | 133.2 | 172.4 | 26 | -32.7 | 0 | 0 | 0 | 109.3 | S255 | P253-S255 PolarHBondContact O-N 3.04Å; P253-S255 VanDerWaalsContact O-N 3.16Å | ||
| 254 | L | 81.8 | Confident | 83.9 | Confident | 160 Ų | 160 | 136.1 Ų | 136.1 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | trans | -66.6 | 113.3 | 169.5 | -68.1 | 163 | 0 | 0 | 0 | 106.6 | L252 K256 | L252-L254 PolarHBondContact O-N 2.93Å; L254-K256 PolarHBondContact O-N 3.35Å | ||
| 255 | S | 73.5 | Confident | 83 | Confident | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | trans | -55.7 | 112.6 | 169.2 | 44.6 | 0 | 0 | 0 | 0 | 108 | P253 E257 | P253-S255 PolarHBondContact O-N 3.04Å; P253-S255 VanDerWaalsContact O-N 3.16Å; S255-E257 PolarHBondContact O-N 2.9Å | ||
| 256 | K | 62.4 | Low | 82 | Confident | 205 Ų | 205 | 148.7 Ų | 148.7 | 89% | 0.891 | 73% | 0.728 | S | S | * | * | trans | -81.5 | 95.8 | 169.4 | -79.6 | -178.6 | 175.3 | -178.8 | 0 | 106.8 | L254 | L254-K256 PolarHBondContact O-N 3.35Š| ||
| 257 | E | 50.8 | Low | 81 | Confident | 258 Ų | 258 | 159.1 Ų | 159.1 | 100% | 1.206 | 76% | 0.762 | S | S | * | * | trans | -123.5 | 0 | 161.1 | -66.4 | -103 | 150.8 | 0 | 0 | 106.6 | S255 | S255-E257 PolarHBondContact O-N 2.9Š|
Retrieved 257 of 257 residues in 230.8 ms
(Link to these results)