| 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 | 35.4 | Very low | 35.9 | Very low | 250 Ų | 250 | 141.4 Ų | 141.4 | 100% | 1.232 | 79% | 0.794 | S | S | * | * | 0 | 131.8 | 0 | -76.4 | -178.9 | 175.1 | 0 | 0 | 108.1 | |||||
| 2 | S | 32.8 | Very low | 35.6 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -57.2 | 148.4 | -178.2 | 47.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3 | L | 34 | Very low | 35.5 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | 162.6 | 160.9 | 115.3 | -88.5 | -175.9 | 0 | 0 | 0 | 111.7 | |||||
| 4 | P | 47 | Very low | 35.4 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 62% | 0.617 | 81% | 0.809 | S | S | * | * | -134.6 | -160.7 | -122 | 40.5 | -19.5 | 0 | 0 | 0 | 114.3 | |||||
| 5 | N | 33.7 | Very low | 35.4 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | 81.8 | 106.3 | 147.1 | -75.7 | -10.2 | 0 | 0 | 0 | 121.8 | ||||
| 6 | I | 40 | Very low | 35.1 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | 40.6 | 122.6 | 112.5 | -54.3 | 163.9 | 0 | 0 | 0 | 118.5 | |||||
| 7 | S | 34.4 | Very low | 35 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | -173.5 | 119.2 | 127.1 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 8 | R | 35.1 | Very low | 35.3 | Very low | 243 Ų | 243 | 141.8 Ų | 141.8 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | 91.9 | 134.5 | 86.3 | -80.4 | -170.3 | -179 | -173.5 | 1.7 | 113.9 | |||||
| 9 | V | 39.1 | Very low | 35.3 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -79.8 | 152.4 | -174.7 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 10 | S | 29.5 | Very low | 35.4 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -175.9 | 108.5 | 136.6 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 11 | A | 33.8 | Very low | 35.5 | Very low | 77 Ų | 77 | 147.7 Ų | 147.7 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | 67.3 | 92.7 | 71.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 12 | S | 32.7 | Very low | 35.6 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 92% | 0.923 | 80% | 0.796 | S | S | * | * | trans | 162.3 | 127.8 | 130.3 | 47.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 13 | G | 33.4 | Very low | 35.7 | Very low | 71 Ų | 71 | 153.2 Ų | 153.2 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 161.6 | 72.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 14 | L | 35.4 | Very low | 35.8 | Very low | 179 Ų | 179 | 153.5 Ų | 153.5 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | trans | 85.4 | 98.1 | 147.6 | -61.2 | 165.2 | 0 | 0 | 0 | 119.9 | ||||
| 15 | L | 34.8 | Very low | 35.3 | Very low | 158 Ų | 158 | 157.6 Ų | 157.6 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -37.1 | 157.3 | 145.6 | -75.4 | 151.6 | 0 | 0 | 0 | 116.5 | ||||
| 16 | R | 31.2 | Very low | 35.3 | Very low | 244 Ų | 244 | 162.4 Ų | 162.4 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | 95.8 | 116.8 | 159.8 | -57.6 | 172.9 | -175.7 | -159.7 | -0.1 | 112.3 | ||||
| 17 | S | 33.2 | Very low | 34.9 | Very low | 104 Ų | 104 | 160.7 Ų | 160.7 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | cis | -165.2 | 122.9 | 43.3 | 159.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 18 | S | 40.1 | Very low | 35.1 | Very low | 109 Ų | 109 | 162.4 Ų | 162.4 | 76% | 0.762 | 84% | 0.84 | S | S | * | * | trans | -69.2 | 135.8 | 160.2 | 44.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 19 | R | 35.7 | Very low | 35.1 | Very low | 225 Ų | 225 | 154.5 Ų | 154.5 | 85% | 0.849 | 83% | 0.826 | S | S | * | * | trans | -172.3 | 105 | 149 | -98.7 | 154.8 | -162.5 | -155.4 | 5.8 | 110.7 | ||||
| 20 | D | 36.3 | Very low | 34.8 | Very low | 144 Ų | 144 | 153.8 Ų | 153.8 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | 65.5 | 83.6 | 136 | -55.5 | -33 | 0 | 0 | 0 | 120.7 | R22 | D20-R22 PolarHBondContact O-N 3.49Å; D20-R22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | L | 38.8 | Very low | 34.9 | Very low | 180 Ų | 180 | 157 Ų | 157 | 94% | 0.942 | 83% | 0.832 | S | S | * | * | trans | -74.2 | 74.9 | 157 | -115 | 155.8 | 0 | 0 | 0 | 110.5 | ||||
| 22 | R | 37.3 | Very low | 34.8 | Very low | 217 Ų | 217 | 157.9 Ų | 157.9 | 82% | 0.819 | 84% | 0.839 | S | S | * | * | trans | -150.2 | 48.5 | 172.8 | -72.4 | -162.9 | -166.2 | -155.2 | 3.4 | 115.3 | D20 | D20-R22 PolarHBondContact O-N 3.49Å; D20-R22 VanDerWaalsContact O-N 3.16Å | ||
| 23 | W | 34.1 | Very low | 34.8 | Very low | 251 Ų | 251 | 155.6 Ų | 155.6 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | trans | -149 | 115.1 | 159.9 | -77.9 | 95.9 | 0 | 0 | 0 | 109.5 | ||||
| 24 | L | 36.7 | Very low | 34.6 | Very low | 163 Ų | 163 | 157.5 Ų | 157.5 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | 169.1 | 34.4 | 142.4 | -85.4 | 173.3 | 0 | 0 | 0 | 112.6 | R26 | L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 3.06Å | ||
| 25 | L | 36.3 | Very low | 34.5 | Very low | 181 Ų | 181 | 159.8 Ų | 159.8 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | trans | -85.7 | 84 | 153.1 | -77.5 | 171.1 | 0 | 0 | 0 | 107.8 | S27 | L25-S27 PolarHBondContact O-N 3.03Š| ||
| 26 | R | 32.6 | Very low | 34.4 | Very low | 232 Ų | 232 | 163.1 Ų | 163.1 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | trans | -71.4 | 107.5 | 171 | -133.8 | 178 | -172 | -157.9 | 2.3 | 107.1 | L24 V28 | L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 3.06Å; R26-V28 PolarHBondContact O-N 3.06Å | ||
| 27 | S | 33.2 | Very low | 34.5 | Very low | 110 Ų | 110 | 156 Ų | 156 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -55 | 128.3 | 173 | 44.4 | 0 | 0 | 0 | 0 | 110.2 | L25 A29 | L25-S27 PolarHBondContact O-N 3.03Å; S27-A29 PolarHBondContact O-N 3.17Å; S27-A29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | V | 38.2 | Very low | 34.8 | Very low | 142 Ų | 142 | 157.8 Ų | 157.8 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -65.1 | 111.2 | 168.8 | 176.1 | 0 | 0 | 0 | 0 | 106.9 | R26 | R26-V28 PolarHBondContact O-N 3.06Š| ||
| 29 | A | 34 | Very low | 34.8 | Very low | 77 Ų | 77 | 157.5 Ų | 157.5 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | trans | -61 | 139.4 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | S27 L31 | S27-A29 PolarHBondContact O-N 3.17Å; S27-A29 VanDerWaalsContact O-N 3.14Å; A29-L31 PolarHBondContact O-N 2.97Å | ||
| 30 | P | 33.3 | Very low | 35.1 | Very low | 122 Ų | 122 | 154 Ų | 154 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -63 | 135.8 | 175.3 | 27 | -32.1 | 0 | 0 | 0 | 109.1 | A32 | P30-A32 PolarHBondContact O-N 3.48Š| ||
| 31 | L | 31 | Very low | 35.7 | Very low | 178 Ų | 178 | 154.4 Ų | 154.4 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -50.2 | 105.9 | 176.7 | -76.1 | 159.6 | 0 | 0 | 0 | 109.9 | A29 A33 | A29-L31 PolarHBondContact O-N 2.97Å; L31-A33 PolarHBondContact O-N 2.99Å; L31-A33 VanDerWaalsContact O-N 3.07Å | ||
| 32 | A | 31.5 | Very low | 36.5 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -66.5 | 107.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | P30 | P30-A32 PolarHBondContact O-N 3.48Š| ||
| 33 | A | 34 | Very low | 37.9 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -53.9 | 135.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.2 | L31 R35 | L31-A33 PolarHBondContact O-N 2.99Å; L31-A33 VanDerWaalsContact O-N 3.07Å; A33-R35 PolarHBondContact O-N 3.08Å; A33-R35 VanDerWaalsContact O-N 3.17Å | ||
| 34 | P | 29.1 | Very low | 39.6 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | trans | -61.2 | 122.4 | -174.4 | 22.9 | -31.9 | 0 | 0 | 0 | 110.8 | R36 | P34-R36 PolarHBondContact O-N 3.37Š| ||
| 35 | R | 32.3 | Very low | 41.1 | Very low | 226 Ų | 226 | 136.6 Ų | 136.6 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -58.4 | -4.7 | 179.2 | -79.6 | -177.7 | 170.8 | -173.9 | -2 | 115.5 | A33 A37 | A33-R35 PolarHBondContact O-N 3.08Å; A33-R35 VanDerWaalsContact O-N 3.17Å; R35-A37 PolarHBondContact O-N 3.43Å |
| 36 | R | 34.4 | Very low | 42.7 | Very low | 229 Ų | 229 | 129.5 Ų | 129.5 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -75.8 | -15.6 | -173.6 | -78.3 | -175.3 | -179 | 173 | 0.8 | 114.9 | P34 T39 | P34-R36 PolarHBondContact O-N 3.37Å; R36-T39 PolarHBondContact O-OG1 2.74Å |
| 37 | A | 32.2 | Very low | 44.4 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -82.3 | -12.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R35 | R35-A37 PolarHBondContact O-N 3.43Š|
| 38 | L | 40.2 | Very low | 46.5 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -94.2 | 2.5 | -173.8 | -80.1 | 164.4 | 0 | 0 | 0 | 114.5 | ||
| 39 | T | 39.1 | Very low | 48.2 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | trans | -113.8 | 42.7 | -171.8 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | R36 M41 | R36-T39 PolarHBondContact O-OG1 2.74Å; T39-M41 VanDerWaalsContact C-N 3.33Å; T39-M41 PolarHBondContact O-N 2.94Å | ||
| 40 | Q | 41.8 | Very low | 49.8 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | -87.1 | 87.2 | 151.9 | -67.5 | -147.8 | -40.1 | 0 | 0 | 106.5 | G42 | Q40-G42 PolarHBondContact O-N 2.75Š| ||
| 41 | M | 50.1 | Low | 51.5 | Low | 154 Ų | 154 | 125.1 Ų | 125.1 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -64 | 123.4 | 167.7 | -70.4 | -151.3 | 76.6 | 0 | 0 | 107.1 | T39 | T39-M41 VanDerWaalsContact C-N 3.33Å; T39-M41 PolarHBondContact O-N 2.94Å |
| 42 | G | 55.9 | Low | 53.3 | Low | 62 Ų | 62 | 123 Ų | 123 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 162.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q40 R44 | Q40-G42 PolarHBondContact O-N 2.75Å; G42-R44 PolarHBondContact O-N 2.89Å; G42-R44 VanDerWaalsContact O-N 3.09Å |
| 43 | Y | 65.1 | Low | 55.2 | Low | 143 Ų | 143 | 126.5 Ų | 126.5 | 56% | 0.561 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 120.9 | 175.6 | 178.5 | -103.8 | 0 | 0 | 0 | 110.1 | R45 I124 | Y43-R45 HydrophobicContact CD1-CG 4.49Å; Y43-R45 HydrophobicContact CE1-CG 4.16Å; Y43-I124 HydrophobicContact CE1-CG1 4.42Å; Y43-I124 HydrophobicContact CE1-CG2 4.35Å |
| 44 | R | 71.4 | Confident | 57.1 | Low | 144 Ų | 144 | 125 Ų | 125 | 54% | 0.543 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -94.7 | 121.6 | 177 | 179.7 | -179.2 | 177.8 | -164.1 | -3 | 107.3 | G42 Q48 | G42-R44 PolarHBondContact O-N 2.89Å; G42-R44 VanDerWaalsContact O-N 3.09Å; R44-Q48 PolarHBondContact NE-O 2.85Å; R44-Q48 PolarHBondContact NH2-O 3.38Å |
| 45 | R | 68.6 | Low | 59 | Low | 87 Ų | 87 | 124 Ų | 124 | 33% | 0.328 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 139.7 | 174.5 | -67.4 | -171.8 | -172.5 | -176.6 | 4.9 | 110.3 | Y43 G47 Q48 R122 E123 | Y43-R45 HydrophobicContact CD1-CG 4.49Å; Y43-R45 HydrophobicContact CE1-CG 4.16Å; R45-G47 PolarHBondContact O-N 3.31Å; R45-Q48 HydrophobicContact CB-CG 4.13Å; R45-Q48 PolarHBondContact O-N 2.94Å; R45-R122 PolarHBondContact NH2-O 3.08Å; R45-E123 PolarHBondContact NE-O 3.15Å; R45-E123 VanDerWaalsContact NH2-C 3.27Å; R45-E123 PolarHBondContact NH2-O 2.81Å |
| 46 | P | 69.3 | Low | 60.8 | Low | 32 Ų | 32 | 121.4 Ų | 121.4 | 21% | 0.208 | 62% | 0.618 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -53.4 | 136.1 | 169.8 | -23.7 | 35.9 | 0 | 0 | 0 | 109.7 | Q48 E156 | P46-Q48 VanDerWaalsContact C-N 3.34Å; P46-Q48 PolarHBondContact O-N 3.45Å; P46-E156 HydrophobicContact CB-CG 4.42Å; P46-E156 WeakPolarHBondContact CB-OE2 3.47Å; P46-E156 HydrophobicContact CG-CB 4.14Å; P46-E156 HydrophobicContact CG-CG 4.31Å; P46-E156 WeakPolarHBondContact CG-OE2 3.26Å |
| 47 | G | 68.3 | Low | 62.6 | Low | 86 Ų | 86 | 118.9 Ų | 118.9 | 89% | 0.887 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.5 | -8.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | R45 | R45-G47 PolarHBondContact O-N 3.31Š|
| 48 | Q | 76 | Confident | 64.4 | Low | 97 Ų | 97 | 121.5 Ų | 121.5 | 45% | 0.453 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 130.4 | 172.5 | -83.6 | -175.8 | -17.8 | 0 | 0 | 111.3 | R44 R45 P46 | R44-Q48 PolarHBondContact NE-O 2.85Å; R44-Q48 PolarHBondContact NH2-O 3.38Å; R45-Q48 HydrophobicContact CB-CG 4.13Å; R45-Q48 PolarHBondContact O-N 2.94Å; P46-Q48 VanDerWaalsContact C-N 3.34Å; P46-Q48 PolarHBondContact O-N 3.45Å |
| 49 | P | 74.6 | Confident | 66 | Low | 115 Ų | 115 | 118.4 Ų | 118.4 | 75% | 0.747 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 146.7 | 176.5 | 25.7 | -33 | 0 | 0 | 0 | 110.1 | E51 | P49-E51 PolarHBondContact O-N 3.35Š|
| 50 | R | 67.7 | Low | 67.8 | Low | 171 Ų | 171 | 123 Ų | 123 | 65% | 0.645 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 122.3 | 177.4 | -171.2 | 177.9 | -177.3 | 165.2 | -0.9 | 107.8 | D52 | R50-D52 PolarHBondContact O-N 3.14Š|
| 51 | E | 68.5 | Low | 69.3 | Low | 123 Ų | 123 | 124.9 Ų | 124.9 | 58% | 0.575 | 60% | 0.603 | S | S | * | * | trans | -71.8 | 102.6 | 168.1 | -74.2 | -173.5 | 148 | 0 | 0 | 108.3 | P49 R53 R58 | P49-E51 PolarHBondContact O-N 3.35Å; E51-R53 PolarHBondContact O-N 3.12Å; E51-R58 IonicContact OE1-NH1 2.65Å; E51-R58 PolarHBondContact OE1-NH1 3.29Å; E51-R58 IonicContact OE2-CZ 2.71Å; E51-R58 IonicContact OE2-NH1 2.73Å; E51-R58 PolarHBondContact OE2-NH1 2.54Å; E51-R58 IonicContact OE2-NH2 3.82Å; E51-R58 PolarHBondContact OE2-NH2 3.45Å | ||
| 52 | D | 68.6 | Low | 71 | Confident | 134 Ų | 134 | 120.8 Ų | 120.8 | 72% | 0.717 | 58% | 0.584 | S | S | * | * | trans | -78.2 | 6 | 178.6 | -64.1 | -33.3 | 0 | 0 | 0 | 113.1 | R50 | R50-D52 PolarHBondContact O-N 3.14Š| ||
| 53 | R | 72.9 | Confident | 72.3 | Confident | 169 Ų | 169 | 125.5 Ų | 125.5 | 64% | 0.638 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -77 | 126 | 179.5 | -63.6 | -177.5 | -174.5 | 175.6 | 2.3 | 109.6 | E51 | E51-R53 PolarHBondContact O-N 3.12Š|
| 54 | P | 72.8 | Confident | 73.3 | Confident | 52 Ų | 52 | 122.1 Ų | 122.1 | 34% | 0.338 | 60% | 0.596 | S | S | . | * | trans | -61.8 | 143.6 | 176 | 24.9 | -32.5 | 0 | 0 | 0 | 110.4 | W56 W57 | P54-W56 HydrophobicContact CB-CD2 4.48Å; P54-W56 HydrophobicContact CB-CG 4.46Å; P54-W56 HydrophobicContact CB-CZ2 4.3Å; P54-W56 HydrophobicContact CG-CD2 4.41Å; P54-W56 HydrophobicContact CG-CZ2 3.79Å; P54-W56 PolarHBondContact O-N 2.76Å; P54-W57 HydrophobicContact CG-CB 4.47Å; P54-W57 WeakPolarHBondContact O-CB 3.47Å; P54-W57 PolarHBondContact O-N 3.42Å | ||
| 55 | P | 70.4 | Confident | 74 | Confident | 90 Ų | 90 | 122.2 Ų | 122.2 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -55.3 | -32.8 | -172 | -28.1 | 34.1 | 0 | 0 | 0 | 114.7 | W57 R58 | P55-W57 VanDerWaalsContact C-N 3.26Å; P55-W57 PolarHBondContact O-N 3.03Å; P55-R58 PolarHBondContact O-N 2.96Å |
| 56 | W | 70.3 | Confident | 74.7 | Confident | 172 Ų | 172 | 120 Ų | 120 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -69.8 | -17.5 | -178.1 | 55.3 | -97.1 | 0 | 0 | 0 | 114.1 | P54 R58 V59 | P54-W56 HydrophobicContact CB-CD2 4.48Å; P54-W56 HydrophobicContact CB-CG 4.46Å; P54-W56 HydrophobicContact CB-CZ2 4.3Å; P54-W56 HydrophobicContact CG-CD2 4.41Å; P54-W56 HydrophobicContact CG-CZ2 3.79Å; P54-W56 PolarHBondContact O-N 2.76Å; W56-R58 VanDerWaalsContact C-N 3.28Å; W56-R58 PolarHBondContact O-N 3.39Å; W56-V59 WeakPolarHBondContact O-CB 3.42Å; W56-V59 PolarHBondContact O-N 2.67Å |
| 57 | W | 71.2 | Confident | 75.6 | Confident | 176 Ų | 176 | 124.7 Ų | 124.7 | 67% | 0.667 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -70.2 | -24 | 179.2 | -161.9 | -86.4 | 0 | 0 | 0 | 113.3 | P54 P55 V59 | P54-W57 HydrophobicContact CG-CB 4.47Å; P54-W57 WeakPolarHBondContact O-CB 3.47Å; P54-W57 PolarHBondContact O-N 3.42Å; P55-W57 VanDerWaalsContact C-N 3.26Å; P55-W57 PolarHBondContact O-N 3.03Å; W57-V59 VanDerWaalsContact C-N 3.31Å |
| 58 | R | 68.9 | Low | 76.6 | Confident | 149 Ų | 149 | 128.4 Ų | 128.4 | 56% | 0.562 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -83.2 | -7.4 | 175.6 | -75.3 | -170.8 | -92.1 | -143.5 | -7.5 | 113.2 | E51 P55 W56 K60 | E51-R58 IonicContact OE1-NH1 2.65Å; E51-R58 PolarHBondContact OE1-NH1 3.29Å; E51-R58 IonicContact OE2-CZ 2.71Å; E51-R58 IonicContact OE2-NH1 2.73Å; E51-R58 PolarHBondContact OE2-NH1 2.54Å; E51-R58 IonicContact OE2-NH2 3.82Å; E51-R58 PolarHBondContact OE2-NH2 3.45Å; P55-R58 PolarHBondContact O-N 2.96Å; W56-R58 VanDerWaalsContact C-N 3.28Å; W56-R58 PolarHBondContact O-N 3.39Å; R58-K60 PolarHBondContact O-N 2.91Å |
| 59 | V | 74.5 | Confident | 77.1 | Confident | 77 Ų | 77 | 125 Ų | 125 | 47% | 0.467 | 61% | 0.609 | S | S | . | * | trans | -81.7 | 102.1 | -175.9 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | W56 W57 F61 | W56-V59 WeakPolarHBondContact O-CB 3.42Å; W56-V59 PolarHBondContact O-N 2.67Å; W57-V59 VanDerWaalsContact C-N 3.31Å; V59-F61 HydrophobicContact CG1-CD1 4.45Å; V59-F61 HydrophobicContact CG1-CD2 4.42Å; V59-F61 HydrophobicContact CG1-CE1 4.13Å; V59-F61 HydrophobicContact CG1-CE2 4.09Å; V59-F61 HydrophobicContact CG1-CZ 3.94Å; V59-F61 PolarHBondContact O-N 2.83Å | ||
| 60 | K | 77.1 | Confident | 77.7 | Confident | 198 Ų | 198 | 124.8 Ų | 124.8 | 86% | 0.861 | 60% | 0.6 | S | S | * | * | trans | -81.6 | 108 | 167.9 | -67.3 | -174.4 | 179.4 | -177.2 | 0 | 108.4 | R58 D62 | R58-K60 PolarHBondContact O-N 2.91Å; K60-D62 PolarHBondContact O-N 2.78Å | ||
| 61 | F | 73.9 | Confident | 78.9 | Confident | 192 Ų | 192 | 124.5 Ų | 124.5 | 84% | 0.842 | 60% | 0.603 | S | S | * | * | trans | -70.9 | 116.4 | 173.2 | -69.4 | -79.7 | 0 | 0 | 0 | 109.6 | V59 | V59-F61 HydrophobicContact CG1-CD1 4.45Å; V59-F61 HydrophobicContact CG1-CD2 4.42Å; V59-F61 HydrophobicContact CG1-CE1 4.13Å; V59-F61 HydrophobicContact CG1-CE2 4.09Å; V59-F61 HydrophobicContact CG1-CZ 3.94Å; V59-F61 PolarHBondContact O-N 2.83Å | ||
| 62 | D | 84.4 | Confident | 79.8 | Confident | 67 Ų | 67 | 127.3 Ų | 127.3 | 36% | 0.358 | 61% | 0.609 | S | S | . | * | trans | -124.9 | 104.1 | 178.5 | -176.4 | -16.5 | 0 | 0 | 0 | 107.5 | K60 A64 K65 G66 | K60-D62 PolarHBondContact O-N 2.78Å; D62-A64 PolarHBondContact O-N 2.82Å; D62-A64 PolarHBondContact OD1-N 2.92Å; D62-K65 HydrophobicContact CB-CB 4.09Å; D62-K65 HydrophobicContact CB-CD 3.9Å; D62-K65 HydrophobicContact CB-CG 4.09Å; D62-K65 PolarHBondContact O-N 3.06Å; D62-K65 PolarHBondContact OD1-N 2.86Å; D62-K65 VanDerWaalsContact OD2-CD 3.25Å; D62-K65 WeakPolarHBondContact OD2-CD 3.34Å; D62-K65 WeakPolarHBondContact OD2-CE 3.33Å; D62-K65 WeakPolarHBondContact OD2-CG 3.42Å; D62-K65 IonicContact OD2-NZ 2.8Å; D62-K65 PolarHBondContact OD2-NZ 2.78Å; D62-G66 PolarHBondContact O-N 2.82Å | ||
| 63 | L | 83.6 | Confident | 80.9 | Confident | 162 Ų | 162 | 122.6 Ų | 122.6 | 85% | 0.848 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.4 | -33.5 | -175.4 | -71.4 | 169.9 | 0 | 0 | 0 | 111.8 | G66 L67 | L63-G66 PolarHBondContact O-N 2.8Å; L63-L67 PolarHBondContact O-N 2.79Å |
| 64 | A | 86.2 | Confident | 81.7 | Confident | 72 Ų | 72 | 120.5 Ų | 120.5 | 60% | 0.595 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.1 | -40.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D62 K68 | D62-A64 PolarHBondContact O-N 2.82Å; D62-A64 PolarHBondContact OD1-N 2.92Å; A64-K68 WeakPolarHBondContact O-CB 3.39Å; A64-K68 PolarHBondContact O-N 3.42Å |
| 65 | K | 85.6 | Confident | 82.5 | Confident | 146 Ų | 146 | 124.7 Ų | 124.7 | 64% | 0.635 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65 | -40.1 | 171.8 | -70.8 | 178.6 | -171.4 | 153.5 | 0 | 111.7 | D62 K68 G69 | D62-K65 HydrophobicContact CB-CB 4.09Å; D62-K65 HydrophobicContact CB-CD 3.9Å; D62-K65 HydrophobicContact CB-CG 4.09Å; D62-K65 PolarHBondContact O-N 3.06Å; D62-K65 PolarHBondContact OD1-N 2.86Å; D62-K65 VanDerWaalsContact OD2-CD 3.25Å; D62-K65 WeakPolarHBondContact OD2-CD 3.34Å; D62-K65 WeakPolarHBondContact OD2-CE 3.33Å; D62-K65 WeakPolarHBondContact OD2-CG 3.42Å; D62-K65 IonicContact OD2-NZ 2.8Å; D62-K65 PolarHBondContact OD2-NZ 2.78Å; K65-K68 PolarHBondContact O-N 2.92Å; K65-G69 PolarHBondContact O-N 2.95Å |
| 66 | G | 84.8 | Confident | 83.4 | Confident | 40 Ų | 40 | 122.3 Ų | 122.3 | 41% | 0.412 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.3 | -50.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D62 L63 K68 G69 M70 | D62-G66 PolarHBondContact O-N 2.82Å; L63-G66 PolarHBondContact O-N 2.8Å; G66-K68 PolarHBondContact O-N 2.8Å; G66-G69 WeakPolarHBondContact O-CA 3.3Å; G66-G69 PolarHBondContact O-N 3.25Å; G66-G69 VanDerWaalsContact O-N 3.15Å; G66-M70 WeakPolarHBondContact O-CG 3.24Å; G66-M70 PolarHBondContact O-N 2.88Å |
| 67 | L | 88.3 | Confident | 84.3 | Confident | 131 Ų | 131 | 116.1 Ų | 116.1 | 69% | 0.686 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.1 | -38.1 | -179.3 | -153.4 | 126.1 | 0 | 0 | 0 | 112.1 | L63 M70 K71 | L63-L67 PolarHBondContact O-N 2.79Å; L67-M70 PolarHBondContact O-N 2.99Å; L67-K71 PolarHBondContact O-N 3.05Å |
| 68 | K | 88.8 | Confident | 85.2 | Confident | 164 Ų | 164 | 114.1 Ų | 114.1 | 71% | 0.713 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 171.9 | -171.9 | 177 | -178.6 | 178 | 0 | 111.8 | A64 K65 G66 K71 R72 | A64-K68 WeakPolarHBondContact O-CB 3.39Å; A64-K68 PolarHBondContact O-N 3.42Å; K65-K68 PolarHBondContact O-N 2.92Å; G66-K68 PolarHBondContact O-N 2.8Å; K68-K71 PolarHBondContact O-N 2.8Å; K68-R72 PolarHBondContact O-N 3.09Å |
| 69 | G | 86 | Confident | 86 | Confident | 25 Ų | 25 | 111.5 Ų | 111.5 | 26% | 0.258 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | K65 G66 K71 R72 H73 | K65-G69 PolarHBondContact O-N 2.95Å; G66-G69 WeakPolarHBondContact O-CA 3.3Å; G66-G69 PolarHBondContact O-N 3.25Å; G66-G69 VanDerWaalsContact O-N 3.15Å; G69-K71 PolarHBondContact O-N 3.02Å; G69-R72 WeakPolarHBondContact O-CB 3.49Å; G69-R72 PolarHBondContact O-N 3.31Å; G69-R72 VanDerWaalsContact O-N 3.11Å; G69-H73 PolarHBondContact O-CD2 3.25Å; G69-H73 PolarHBondContact O-N 3.17Å |
| 70 | M | 88.2 | Confident | 86.5 | Confident | 111 Ų | 111 | 110.7 Ų | 110.7 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 174.6 | -72.2 | -179.6 | 66.3 | 0 | 0 | 111.4 | G66 L67 R72 H73 F74 | G66-M70 WeakPolarHBondContact O-CG 3.24Å; G66-M70 PolarHBondContact O-N 2.88Å; L67-M70 PolarHBondContact O-N 2.99Å; M70-R72 VanDerWaalsContact C-N 3.25Å; M70-R72 PolarHBondContact O-N 3.01Å; M70-H73 PolarHBondContact O-N 3.05Å; M70-H73 VanDerWaalsContact O-N 3.13Å; M70-F74 HydrophobicContact CB-CD2 4.44Å; M70-F74 HydrophobicContact CB-CE2 4.49Å; M70-F74 HydrophobicContact CE-CE2 4.02Å; M70-F74 WeakPolarHBondContact O-CD2 3.48Å; M70-F74 PolarHBondContact O-N 2.71Å |
| 71 | K | 91.3 | Very high | 86.9 | Confident | 165 Ų | 165 | 107.8 Ų | 107.8 | 72% | 0.717 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.7 | -39 | 177.3 | -172 | 175.2 | -179 | 176.4 | 0 | 112 | L67 K68 G69 K75 | L67-K71 PolarHBondContact O-N 3.05Å; K68-K71 PolarHBondContact O-N 2.8Å; G69-K71 PolarHBondContact O-N 3.02Å; K71-K75 PolarHBondContact O-N 2.8Å; K71-K75 VanDerWaalsContact O-N 3.08Å |
| 72 | R | 88.9 | Confident | 87.3 | Confident | 181 Ų | 181 | 104.3 Ų | 104.3 | 68% | 0.683 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -48.3 | 174.8 | -176.1 | -176.7 | 179.8 | -177.9 | 0.6 | 111.6 | K68 G69 M70 K75 L76 | K68-R72 PolarHBondContact O-N 3.09Å; G69-R72 WeakPolarHBondContact O-CB 3.49Å; G69-R72 PolarHBondContact O-N 3.31Å; G69-R72 VanDerWaalsContact O-N 3.11Å; M70-R72 VanDerWaalsContact C-N 3.25Å; M70-R72 PolarHBondContact O-N 3.01Å; R72-K75 WeakPolarHBondContact O-CB 3.47Å; R72-K75 PolarHBondContact O-N 3.18Å; R72-L76 HydrophobicContact CG-CD1 4.32Å; R72-L76 WeakPolarHBondContact O-CG 3.18Å; R72-L76 PolarHBondContact O-N 2.6Å |
| 73 | H | 91 | Very high | 86.8 | Confident | 36 Ų | 36 | 103.3 Ų | 103.3 | 17% | 0.167 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 179.3 | -68.6 | -60.4 | 0 | 0 | 0 | 112.8 | G69 M70 K75 L76 L77 F174 D175 | G69-H73 PolarHBondContact O-CD2 3.25Å; G69-H73 PolarHBondContact O-N 3.17Å; M70-H73 PolarHBondContact O-N 3.05Å; M70-H73 VanDerWaalsContact O-N 3.13Å; H73-K75 VanDerWaalsContact C-N 3.3Å; H73-K75 PolarHBondContact O-N 3.34Å; H73-L76 PolarHBondContact O-N 3.23Å; H73-L77 VanDerWaalsContact O-CB 3.24Å; H73-L77 WeakPolarHBondContact O-CB 3.3Å; H73-L77 PolarHBondContact O-N 3.14Å; H73-F174 PolarHBondContact ND1-N 3.46Å; H73-F174 VanDerWaalsContact ND1-N 3.14Å; H73-D175 IonicContact CE1-OD1 3.23Å; H73-D175 PolarHBondContact CE1-OD1 2.76Å; H73-D175 IonicContact CE1-OD2 3.27Å |
| 74 | F | 90.3 | Very high | 86.3 | Confident | 125 Ų | 125 | 100.1 Ų | 100.1 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 172.5 | -83.5 | -68.7 | 0 | 0 | 0 | 112.1 | M70 L77 K78 | M70-F74 HydrophobicContact CB-CD2 4.44Å; M70-F74 HydrophobicContact CB-CE2 4.49Å; M70-F74 HydrophobicContact CE-CE2 4.02Å; M70-F74 WeakPolarHBondContact O-CD2 3.48Å; M70-F74 PolarHBondContact O-N 2.71Å; F74-L77 PolarHBondContact O-N 3.08Å; F74-K78 WeakPolarHBondContact O-CB 3.36Å; F74-K78 PolarHBondContact O-N 3.16Å |
| 75 | K | 89.9 | Confident | 85.7 | Confident | 139 Ų | 139 | 105 Ų | 105 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -48.7 | 174.3 | -171.4 | -174.7 | 178.9 | -161.2 | 0 | 111.4 | K71 R72 H73 L77 K78 E79 | K71-K75 PolarHBondContact O-N 2.8Å; K71-K75 VanDerWaalsContact O-N 3.08Å; R72-K75 WeakPolarHBondContact O-CB 3.47Å; R72-K75 PolarHBondContact O-N 3.18Å; H73-K75 VanDerWaalsContact C-N 3.3Å; H73-K75 PolarHBondContact O-N 3.34Å; K75-L77 VanDerWaalsContact C-N 3.28Å; K75-L77 PolarHBondContact O-N 3.06Å; K75-K78 WeakPolarHBondContact O-CB 3.38Å; K75-K78 PolarHBondContact O-N 3.18Å; K75-E79 WeakPolarHBondContact CE-OE1 3.38Å; K75-E79 IonicContact NZ-OE1 3.43Å; K75-E79 WeakPolarHBondContact O-CG 3.26Å; K75-E79 PolarHBondContact O-N 3.23Å |
| 76 | L | 88.1 | Confident | 85.1 | Confident | 41 Ų | 41 | 102.3 Ų | 102.3 | 22% | 0.215 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 176.5 | -69.5 | 171.8 | 0 | 0 | 0 | 111.7 | R72 H73 E79 E80 S173 | R72-L76 HydrophobicContact CG-CD1 4.32Å; R72-L76 WeakPolarHBondContact O-CG 3.18Å; R72-L76 PolarHBondContact O-N 2.6Å; H73-L76 PolarHBondContact O-N 3.23Å; L76-E79 PolarHBondContact O-N 3.24Å; L76-E80 PolarHBondContact O-N 2.72Å; L76-S173 WeakPolarHBondContact CB-OG 3.48Å; L76-S173 PolarHBondContact O-OG 2.71Å |
| 77 | L | 90.1 | Very high | 84.2 | Confident | 42 Ų | 42 | 100.6 Ų | 100.6 | 22% | 0.22 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -66.8 | -43.6 | -179.9 | -179.4 | 146.5 | 0 | 0 | 0 | 109.9 | H73 F74 K75 E79 E80 F81 S173 F174 | H73-L77 VanDerWaalsContact O-CB 3.24Å; H73-L77 WeakPolarHBondContact O-CB 3.3Å; H73-L77 PolarHBondContact O-N 3.14Å; F74-L77 PolarHBondContact O-N 3.08Å; K75-L77 VanDerWaalsContact C-N 3.28Å; K75-L77 PolarHBondContact O-N 3.06Å; L77-E79 VanDerWaalsContact C-N 3.32Å; L77-E79 PolarHBondContact O-N 3.49Å; L77-E80 PolarHBondContact O-N 2.82Å; L77-F81 HydrophobicContact CD1-CE2 4.3Å; L77-F81 HydrophobicContact CD2-CD2 3.47Å; L77-F81 VanDerWaalsContact CD2-CD2 3.47Å; L77-F81 HydrophobicContact CD2-CE2 3.55Å; L77-F81 HydrophobicContact CG-CD2 3.81Å; L77-F81 HydrophobicContact CG-CE2 3.77Å; L77-F81 VanDerWaalsContact O-CD2 3.29Å; L77-F81 WeakPolarHBondContact O-CD2 3.35Å; L77-F81 PolarHBondContact O-N 2.94Å; L77-S173 WeakPolarHBondContact CA-OG 3.11Å; L77-S173 PolarHBondContact N-OG 3.02Å; L77-F174 HydrophobicContact CD1-CE2 3.64Å; L77-F174 HydrophobicContact CD1-CZ 4.1Å |
| 78 | K | 88.8 | Confident | 83.3 | Confident | 133 Ų | 133 | 97.1 Ų | 97.1 | 58% | 0.578 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -56.1 | -49.1 | 173.3 | -169.1 | -178 | 177.2 | -177.5 | 0 | 110.6 | F74 K75 E80 F81 F82 | F74-K78 WeakPolarHBondContact O-CB 3.36Å; F74-K78 PolarHBondContact O-N 3.16Å; K75-K78 WeakPolarHBondContact O-CB 3.38Å; K75-K78 PolarHBondContact O-N 3.18Å; K78-E80 PolarHBondContact O-N 3.16Å; K78-F81 PolarHBondContact O-N 3.42Å; K78-F82 HydrophobicContact CD-CE2 4.27Å; K78-F82 HydrophobicContact CG-CD2 3.65Å; K78-F82 HydrophobicContact CG-CE2 3.54Å; K78-F82 WeakPolarHBondContact O-CD2 3.09Å; K78-F82 PolarHBondContact O-N 2.83Å; K78-F82 VanDerWaalsContact O-N 3.11Å |
| 79 | E | 85.7 | Confident | 82.1 | Confident | 95 Ų | 95 | 95.3 Ų | 95.3 | 44% | 0.444 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 177.6 | -71.3 | 167.6 | -173.6 | 0 | 0 | 112.1 | K75 L76 L77 F82 A83 | K75-E79 WeakPolarHBondContact CE-OE1 3.38Å; K75-E79 IonicContact NZ-OE1 3.43Å; K75-E79 WeakPolarHBondContact O-CG 3.26Å; K75-E79 PolarHBondContact O-N 3.23Å; L76-E79 PolarHBondContact O-N 3.24Å; L77-E79 VanDerWaalsContact C-N 3.32Å; L77-E79 PolarHBondContact O-N 3.49Å; E79-F82 PolarHBondContact O-N 3.22Å; E79-A83 WeakPolarHBondContact O-CB 3.41Å; E79-A83 PolarHBondContact O-N 2.78Å |
| 80 | E | 84.7 | Confident | 81.2 | Confident | 60 Ų | 60 | 96.2 Ų | 96.2 | 28% | 0.28 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 175.6 | -81.3 | 166.2 | -149.5 | 0 | 0 | 113.6 | L76 L77 K78 P84 A172 S173 R176 | L76-E80 PolarHBondContact O-N 2.72Å; L77-E80 PolarHBondContact O-N 2.82Å; K78-E80 PolarHBondContact O-N 3.16Å; E80-P84 WeakPolarHBondContact O-CD 3.48Å; E80-A172 VanDerWaalsContact OE1-CA 3.26Å; E80-A172 WeakPolarHBondContact OE1-CA 3.19Å; E80-A172 WeakPolarHBondContact OE1-CB 3.15Å; E80-S173 PolarHBondContact OE1-N 3.33Å; E80-S173 PolarHBondContact OE1-OG 3.03Å; E80-S173 PolarHBondContact OE2-OG 3.03Å; E80-R176 IonicContact OE2-NH2 3.03Å; E80-R176 PolarHBondContact OE2-NH2 3.22Å; E80-R176 VanDerWaalsContact OE2-NH2 3.08Å |
| 81 | F | 85.9 | Confident | 80.5 | Confident | 136 Ų | 136 | 94.9 Ų | 94.9 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.9 | -35.2 | 179 | -91.5 | -79.1 | 0 | 0 | 0 | 112.3 | L77 K78 F85 | L77-F81 HydrophobicContact CD1-CE2 4.3Å; L77-F81 HydrophobicContact CD2-CD2 3.47Å; L77-F81 VanDerWaalsContact CD2-CD2 3.47Å; L77-F81 HydrophobicContact CD2-CE2 3.55Å; L77-F81 HydrophobicContact CG-CD2 3.81Å; L77-F81 HydrophobicContact CG-CE2 3.77Å; L77-F81 VanDerWaalsContact O-CD2 3.29Å; L77-F81 WeakPolarHBondContact O-CD2 3.35Å; L77-F81 PolarHBondContact O-N 2.94Å; K78-F81 PolarHBondContact O-N 3.42Å; F81-F85 WeakPolarHBondContact O-CD2 3.07Å |
| 82 | F | 83 | Confident | 79.8 | Confident | 120 Ų | 120 | 90 Ų | 90 | 53% | 0.526 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -89.9 | -26.5 | -178 | -70.7 | -65.4 | 0 | 0 | 0 | 114 | K78 E79 F85 | K78-F82 HydrophobicContact CD-CE2 4.27Å; K78-F82 HydrophobicContact CG-CD2 3.65Å; K78-F82 HydrophobicContact CG-CE2 3.54Å; K78-F82 WeakPolarHBondContact O-CD2 3.09Å; K78-F82 PolarHBondContact O-N 2.83Å; K78-F82 VanDerWaalsContact O-N 3.11Å; E79-F82 PolarHBondContact O-N 3.22Å; F82-F85 WeakPolarHBondContact O-CB 3.45Å; F82-F85 PolarHBondContact O-N 2.85Å |
| 83 | A | 74.7 | Confident | 79.1 | Confident | 45 Ų | 45 | 86.2 Ų | 86.2 | 37% | 0.372 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -55.4 | -44.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E79 F85 V86 G87 | E79-A83 WeakPolarHBondContact O-CB 3.41Å; E79-A83 PolarHBondContact O-N 2.78Å; A83-F85 PolarHBondContact O-N 2.81Å; A83-F85 VanDerWaalsContact O-N 3.17Å; A83-V86 PolarHBondContact O-N 2.88Å; A83-G87 CarbonylContact O-C 3.54Å; A83-G87 PolarHBondContact O-N 2.95Å |
| 84 | P | 72.8 | Confident | 78.2 | Confident | 95 Ų | 95 | 91.5 Ų | 91.5 | 62% | 0.617 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.5 | -27.6 | 177 | -25.5 | 34.8 | 0 | 0 | 0 | 114.3 | E80 | E80-P84 WeakPolarHBondContact O-CD 3.48Å |
| 85 | F | 73.8 | Confident | 77.6 | Confident | 176 Ų | 176 | 90.7 Ų | 90.7 | 77% | 0.772 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -76.3 | -25.9 | -179.8 | -73.7 | -82.6 | 0 | 0 | 0 | 113.5 | F81 F82 A83 | F81-F85 WeakPolarHBondContact O-CD2 3.07Å; F82-F85 WeakPolarHBondContact O-CB 3.45Å; F82-F85 PolarHBondContact O-N 2.85Å; A83-F85 PolarHBondContact O-N 2.81Å; A83-F85 VanDerWaalsContact O-N 3.17Å |
| 86 | V | 72.4 | Confident | 76.8 | Confident | 88 Ų | 88 | 85.5 Ų | 85.5 | 53% | 0.533 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -93.4 | -21.4 | 176.5 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | A83 G90 K91 | A83-V86 PolarHBondContact O-N 2.88Å; V86-G90 WeakPolarHBondContact CG1-O 3.29Å; V86-K91 CarbonylContact O-C 3.55Å; V86-K91 VanDerWaalsContact O-O 3.11Å |
| 87 | G | 66.4 | Low | 75.9 | Confident | 4 Ų | 4 | 89.7 Ų | 89.7 | 4% | 0.041 | 46% | 0.463 | C | S | . | . | trans | 104.9 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A83 M89 G90 K91 | A83-G87 CarbonylContact O-C 3.54Å; A83-G87 PolarHBondContact O-N 2.95Å; G87-M89 PolarHBondContact O-N 3.12Å; G87-G90 PolarHBondContact O-N 3.42Å; G87-G90 VanDerWaalsContact O-N 3.09Å; G87-K91 CarbonylContact C-O 3.59Å; G87-K91 VanDerWaalsContact CA-O 3.26Å; G87-K91 WeakPolarHBondContact CA-O 3.43Å | ||
| 88 | P | 67.7 | Low | 75.3 | Confident | 58 Ų | 58 | 94.1 Ų | 94.1 | 38% | 0.377 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -52.3 | 131.2 | -179.9 | -23 | 32.5 | 0 | 0 | 0 | 111.3 | G90 K91 | P88-G90 PolarHBondContact O-N 3.11Å; P88-K91 PolarHBondContact O-N 3.45Å; P88-K91 VanDerWaalsContact O-N 3.14Å |
| 89 | M | 63.8 | Low | 74.7 | Confident | 127 Ų | 127 | 89.7 Ų | 89.7 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | 57 | 20.1 | 179.6 | -58 | -62.3 | 176.3 | 0 | 0 | 115.4 | G87 K91 | G87-M89 PolarHBondContact O-N 3.12Å; M89-K91 VanDerWaalsContact C-N 3.33Å |
| 90 | G | 66.9 | Low | 74.5 | Confident | 44 Ų | 44 | 90 Ų | 90 | 45% | 0.454 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | 78.7 | 15.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V86 G87 P88 | V86-G90 WeakPolarHBondContact CG1-O 3.29Å; G87-G90 PolarHBondContact O-N 3.42Å; G87-G90 VanDerWaalsContact O-N 3.09Å; P88-G90 PolarHBondContact O-N 3.11Å |
| 91 | K | 73.8 | Confident | 74.6 | Confident | 83 Ų | 83 | 91.8 Ų | 91.8 | 36% | 0.361 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -109.2 | 145.3 | 173.1 | -62.7 | -175 | -175.6 | -177.9 | 0 | 110.4 | V86 G87 P88 M89 E99 | V86-K91 CarbonylContact O-C 3.55Å; V86-K91 VanDerWaalsContact O-O 3.11Å; G87-K91 CarbonylContact C-O 3.59Å; G87-K91 VanDerWaalsContact CA-O 3.26Å; G87-K91 WeakPolarHBondContact CA-O 3.43Å; P88-K91 PolarHBondContact O-N 3.45Å; P88-K91 VanDerWaalsContact O-N 3.14Å; M89-K91 VanDerWaalsContact C-N 3.33Å; K91-E99 WeakPolarHBondContact CD-OE1 3.41Å; K91-E99 WeakPolarHBondContact CE-OE1 3.22Å; K91-E99 IonicContact NZ-OE1 3.98Å; K91-E99 PolarHBondContact NZ-OE1 2.82Å |
| 92 | P | 77.9 | Confident | 74.8 | Confident | 63 Ų | 63 | 86.8 Ų | 86.8 | 41% | 0.409 | 46% | 0.459 | S | S | . | . | trans | -58.6 | 142.9 | 173.6 | 24.5 | -31.8 | 0 | 0 | 0 | 110.2 | M94 E95 H96 | P92-M94 PolarHBondContact O-N 2.88Å; P92-M94 VanDerWaalsContact O-N 3.08Å; P92-E95 WeakPolarHBondContact CD-OE2 3.36Å; P92-E95 HydrophobicContact CG-CB 4.06Å; P92-E95 VanDerWaalsContact CG-CD 3.44Å; P92-E95 HydrophobicContact CG-CG 3.79Å; P92-E95 PolarHBondContact O-N 2.79Å; P92-H96 PolarHBondContact O-N 2.78Å; P92-H96 VanDerWaalsContact O-N 3.12Å | ||
| 93 | I | 73.1 | Confident | 75.1 | Confident | 100 Ų | 100 | 84.1 Ų | 84.1 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -53.5 | -37 | -173.9 | -66.1 | 164.7 | 0 | 0 | 0 | 112.1 | H96 M97 | I93-H96 PolarHBondContact O-N 3.49Å; I93-M97 HydrophobicContact CG2-CE 4.47Å; I93-M97 HydrophobicContact CG2-CG 4.24Å; I93-M97 WeakPolarHBondContact O-CB 3.13Å; I93-M97 VanDerWaalsContact O-CG 3.24Å; I93-M97 WeakPolarHBondContact O-CG 3.38Å; I93-M97 PolarHBondContact O-N 3.34Å |
| 94 | M | 72.6 | Confident | 75.9 | Confident | 148 Ų | 148 | 83.8 Ų | 83.8 | 73% | 0.729 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 179.1 | -63.1 | -63 | -87.6 | 0 | 0 | 112.2 | P92 M97 L98 | P92-M94 PolarHBondContact O-N 2.88Å; P92-M94 VanDerWaalsContact O-N 3.08Å; M94-M97 PolarHBondContact O-N 3.13Å; M94-L98 WeakPolarHBondContact O-CD1 3.46Å; M94-L98 VanDerWaalsContact O-CG 3.26Å; M94-L98 WeakPolarHBondContact O-CG 3.38Å; M94-L98 PolarHBondContact O-N 2.7Å |
| 95 | E | 76.8 | Confident | 76.8 | Confident | 108 Ų | 108 | 80 Ų | 80 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 176.6 | -73.4 | 177.3 | -171.4 | 0 | 0 | 110.5 | P92 M97 L98 E99 | P92-E95 WeakPolarHBondContact CD-OE2 3.36Å; P92-E95 HydrophobicContact CG-CB 4.06Å; P92-E95 VanDerWaalsContact CG-CD 3.44Å; P92-E95 HydrophobicContact CG-CG 3.79Å; P92-E95 PolarHBondContact O-N 2.79Å; E95-M97 VanDerWaalsContact C-N 3.28Å; E95-M97 PolarHBondContact O-N 2.65Å; E95-L98 CarbonylContact O-C 3.6Å; E95-L98 PolarHBondContact O-N 2.7Å; E95-E99 WeakPolarHBondContact O-CG 3.46Å; E95-E99 PolarHBondContact O-N 3.47Å |
| 96 | H | 73.3 | Confident | 77.5 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 14% | 0.139 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.8 | -35.8 | 178.3 | -173.7 | 57.3 | 0 | 0 | 0 | 113.1 | P92 I93 L98 E99 | P92-H96 PolarHBondContact O-N 2.78Å; P92-H96 VanDerWaalsContact O-N 3.12Å; I93-H96 PolarHBondContact O-N 3.49Å; H96-L98 VanDerWaalsContact C-N 3.35Å; H96-E99 IonicContact ND1-OE2 3.08Å; H96-E99 PolarHBondContact ND1-OE2 3.15Å; H96-E99 PolarHBondContact O-N 3.04Å |
| 97 | M | 70.6 | Confident | 78.2 | Confident | 128 Ų | 128 | 71.2 Ų | 71.2 | 63% | 0.631 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -72.5 | -27.8 | 175.5 | -71.7 | -70.6 | 178 | 0 | 0 | 113.2 | I93 M94 E95 | I93-M97 HydrophobicContact CG2-CE 4.47Å; I93-M97 HydrophobicContact CG2-CG 4.24Å; I93-M97 WeakPolarHBondContact O-CB 3.13Å; I93-M97 VanDerWaalsContact O-CG 3.24Å; I93-M97 WeakPolarHBondContact O-CG 3.38Å; I93-M97 PolarHBondContact O-N 3.34Å; M94-M97 PolarHBondContact O-N 3.13Å; E95-M97 VanDerWaalsContact C-N 3.28Å; E95-M97 PolarHBondContact O-N 2.65Å |
| 98 | L | 75.9 | Confident | 79.1 | Confident | 135 Ų | 135 | 79.5 Ų | 79.5 | 71% | 0.707 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -84.3 | -16.2 | 177.3 | -70.5 | 168.7 | 0 | 0 | 0 | 112.6 | M94 E95 H96 Q100 | M94-L98 WeakPolarHBondContact O-CD1 3.46Å; M94-L98 VanDerWaalsContact O-CG 3.26Å; M94-L98 WeakPolarHBondContact O-CG 3.38Å; M94-L98 PolarHBondContact O-N 2.7Å; E95-L98 CarbonylContact O-C 3.6Å; E95-L98 PolarHBondContact O-N 2.7Å; H96-L98 VanDerWaalsContact C-N 3.35Å; L98-Q100 PolarHBondContact O-N 3.19Å |
| 99 | E | 76.8 | Confident | 80 | Confident | 41 Ų | 41 | 77.3 Ų | 77.3 | 19% | 0.192 | 39% | 0.391 | C | S | . | . | trans | -62.5 | 108.4 | 178.5 | -82.2 | 176.8 | 167.2 | 0 | 0 | 111.2 | K91 E95 H96 F185 | K91-E99 WeakPolarHBondContact CD-OE1 3.41Å; K91-E99 WeakPolarHBondContact CE-OE1 3.22Å; K91-E99 IonicContact NZ-OE1 3.98Å; K91-E99 PolarHBondContact NZ-OE1 2.82Å; E95-E99 WeakPolarHBondContact O-CG 3.46Å; E95-E99 PolarHBondContact O-N 3.47Å; H96-E99 IonicContact ND1-OE2 3.08Å; H96-E99 PolarHBondContact ND1-OE2 3.15Å; H96-E99 PolarHBondContact O-N 3.04Å; E99-F185 WeakPolarHBondContact O-CE1 3.16Å | ||
| 100 | Q | 81.2 | Confident | 80.9 | Confident | 102 Ų | 102 | 75.3 Ų | 75.3 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -78.6 | -33.1 | 174.2 | -65.5 | 177.2 | -8 | 0 | 0 | 111.4 | L98 C284 K285 Y287 | L98-Q100 PolarHBondContact O-N 3.19Å; Q100-C284 CarbonylContact O-C 3.55Å; Q100-C284 VanDerWaalsContact O-CA 3.3Å; Q100-C284 WeakPolarHBondContact O-CA 3.14Å; Q100-K285 PolarHBondContact O-N 2.92Å; Q100-Y287 HydrophobicContact CG-CE2 4.25Å |
| 101 | N | 88.2 | Confident | 81.9 | Confident | 96 Ų | 96 | 80 Ų | 80 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.1 | -176.2 | -62.3 | -19.7 | 0 | 0 | 0 | 109.8 | V283 C284 | N101-V283 WeakPolarHBondContact CA-O 3.23Å; N101-C284 WeakPolarHBondContact OD1-CB 3.32Å; N101-C284 PolarHBondContact OD1-SG 3.43Å |
| 102 | Q | 88.8 | Confident | 82.5 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 15% | 0.15 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.9 | 175.4 | -175.4 | 179.8 | 9.2 | 0 | 0 | 109.8 | L104 F185 G282 V283 | Q102-L104 HydrophobicContact CG-CD2 4.32Å; Q102-F185 HydrophobicContact CB-CE1 4.23Å; Q102-F185 HydrophobicContact CB-CE2 4.34Å; Q102-F185 HydrophobicContact CB-CZ 3.72Å; Q102-F185 VanDerWaalsContact OE1-CE2 3.29Å; Q102-G282 CarbonylContact O-C 3.59Å; Q102-G282 WeakPolarHBondContact O-CA 3.26Å; Q102-V283 HydrophobicContact CB-CG2 3.93Å; Q102-V283 PolarHBondContact N-O 3.19Å; Q102-V283 PolarHBondContact O-N 3.23Å |
| 103 | V | 90.8 | Very high | 82.9 | Confident | 64 Ų | 64 | 75.3 Ų | 75.3 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.7 | 171.1 | -170.2 | 0 | 0 | 0 | 0 | 108.4 | E106 F280 | V103-E106 HydrophobicContact CB-CG 4.33Å; V103-E106 HydrophobicContact CG1-CG 3.39Å; V103-F280 HydrophobicContact CG1-CB 3.88Å; V103-F280 HydrophobicContact CG1-CD2 4.19Å; V103-F280 HydrophobicContact CG1-CG 4.32Å; V103-F280 HydrophobicContact CG2-CD2 4.48Å |
| 104 | L | 90.2 | Very high | 83.6 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 20% | 0.199 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -43.7 | -175.8 | -66.3 | 174.9 | 0 | 0 | 0 | 111.5 | Q102 W182 I281 V283 | Q102-L104 HydrophobicContact CG-CD2 4.32Å; L104-W182 HydrophobicContact CD1-CD2 4.4Å; L104-W182 VanDerWaalsContact CD1-CE2 3.46Å; L104-W182 HydrophobicContact CD1-CZ2 3.56Å; L104-W182 VanDerWaalsContact CD1-NE1 3.29Å; L104-I281 PolarHBondContact N-O 3.32Å; L104-V283 HydrophobicContact CD1-CG1 3.7Å; L104-V283 HydrophobicContact CD1-CG2 4.18Å; L104-V283 HydrophobicContact CD2-CG2 4.49Å; L104-V283 HydrophobicContact CG-CG2 4.27Å |
| 105 | W | 91.1 | Very high | 84.4 | Confident | 14 Ų | 14 | 74.2 Ų | 74.2 | 5% | 0.053 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.9 | 177.3 | -60.6 | -84.3 | 0 | 0 | 0 | 110.2 | W116 H180 W182 I262 F280 I281 | W105-W116 HydrophobicContact CB-CZ2 4.12Å; W105-W116 AromaticContact CD1-CZ2 3.97Å; W105-W116 HydrophobicContact CD2-CZ2 4.2Å; W105-W116 AromaticContact CG-CZ2 3.81Å; W105-W116 HydrophobicContact CG-CZ2 3.81Å; W105-H180 AromaticContact CZ2-NE2 3.95Å; W105-W182 HydrophobicContact CH2-CH2 4.34Å; W105-W182 AromaticContact CH2-CZ2 3.84Å; W105-W182 HydrophobicContact CH2-CZ2 3.84Å; W105-W182 HydrophobicContact CZ3-CZ2 4.15Å; W105-I262 HydrophobicContact CE3-CD1 4.34Å; W105-I262 HydrophobicContact CH2-CB 4.34Å; W105-I262 HydrophobicContact CH2-CD1 3.67Å; W105-I262 HydrophobicContact CH2-CG1 3.72Å; W105-I262 HydrophobicContact CZ3-CD1 3.32Å; W105-I262 HydrophobicContact CZ3-CG1 3.92Å; W105-F280 WeakPolarHBondContact O-CA 3.23Å; W105-I281 HydrophobicContact CB-CB 4.26Å; W105-I281 HydrophobicContact CE3-CB 3.74Å; W105-I281 HydrophobicContact CE3-CD1 4.43Å; W105-I281 HydrophobicContact CE3-CG2 3.41Å; W105-I281 VanDerWaalsContact CE3-CG2 3.41Å; W105-I281 HydrophobicContact CZ3-CG2 3.73Å; W105-I281 PolarHBondContact N-O 3.46Å; W105-I281 PolarHBondContact O-N 2.67Å |
| 106 | E | 89.9 | Confident | 85.2 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.5 | 172.5 | -64.2 | -171.4 | 179.2 | 0 | 0 | 109.3 | V103 R108 S112 | V103-E106 HydrophobicContact CB-CG 4.33Å; V103-E106 HydrophobicContact CG1-CG 3.39Å; E106-R108 HydrophobicContact CB-CG 4.3Å; E106-R108 PolarHBondContact O-N 2.81Å; E106-R108 VanDerWaalsContact O-N 3.12Å; E106-R108 IonicContact OE1-NH2 2.71Å; E106-R108 IonicContact OE2-CZ 2.83Å; E106-R108 IonicContact OE2-NE 2.89Å; E106-R108 PolarHBondContact OE2-NE 2.78Å; E106-R108 IonicContact OE2-NH2 3.76Å; E106-R108 PolarHBondContact OE2-NH2 2.79Å; E106-S112 WeakPolarHBondContact O-CB 3.47Å; E106-S112 PolarHBondContact O-OG 2.9Å |
| 107 | F | 87.5 | Confident | 86.1 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.009 | 36% | 0.355 | C | S | . | . | trans | -92.1 | 49.4 | -175.4 | -64.5 | -76.3 | 0 | 0 | 0 | 112.4 | G109 L113 W116 N138 E139 C141 I278 D279 I281 | F107-G109 PolarHBondContact O-N 2.92Å; F107-G109 VanDerWaalsContact O-N 3.13Å; F107-L113 HydrophobicContact CD1-CD2 4.41Å; F107-W116 AromaticContact CE1-CD1 3.71Å; F107-W116 HydrophobicContact CE1-CD2 4.35Å; F107-W116 AromaticContact CE1-CE2 3.6Å; F107-W116 HydrophobicContact CE1-CG 4.42Å; F107-W116 HydrophobicContact CE1-CZ2 4.05Å; F107-W116 AromaticContact CE1-NE1 3.18Å; F107-W116 HydrophobicContact CZ-CD2 4.47Å; F107-W116 AromaticContact CZ-CE2 3.6Å; F107-W116 HydrophobicContact CZ-CH2 4.41Å; F107-W116 AromaticContact CZ-CZ2 3.56Å; F107-W116 HydrophobicContact CZ-CZ2 3.56Å; F107-W116 AromaticContact CZ-NE1 3.67Å; F107-N138 VanDerWaalsContact O-O 3.08Å; F107-E139 CarbonylContact C-O 3.35Å; F107-E139 CarbonylContact O-C 3.53Å; F107-E139 VanDerWaalsContact O-C 3.25Å; F107-E139 VanDerWaalsContact O-O 3.13Å; F107-C141 HydrophobicContact CB-CB 3.92Å; F107-C141 HydrophobicContact CD1-CB 3.35Å; F107-C141 HydrophobicContact CD2-CB 3.7Å; F107-C141 HydrophobicContact CE1-CB 3.55Å; F107-C141 HydrophobicContact CE2-CB 3.97Å; F107-C141 HydrophobicContact CG-CB 3.38Å; F107-C141 HydrophobicContact CZ-CB 3.88Å; F107-I278 HydrophobicContact CD2-CB 4.46Å; F107-I278 HydrophobicContact CD2-CG2 4.27Å; F107-I278 WeakPolarHBondContact CD2-O 3.4Å; F107-I278 HydrophobicContact CE2-CB 3.96Å; F107-I278 HydrophobicContact CE2-CG2 3.61Å; F107-I278 HydrophobicContact CZ-CG2 4.48Å; F107-D279 WeakPolarHBondContact CD2-O 3.37Å; F107-I281 HydrophobicContact CE2-CD1 4.27Å; F107-I281 HydrophobicContact CE2-CG1 4.41Å; F107-I281 HydrophobicContact CZ-CD1 4.3Å | ||
| 108 | R | 85.6 | Confident | 87.2 | Confident | 177 Ų | 177 | 67.8 Ų | 67.8 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | trans | -83 | 88.1 | 177.2 | -57.8 | -167.2 | -159.1 | -154.4 | 5.4 | 111 | E106 | E106-R108 HydrophobicContact CB-CG 4.3Å; E106-R108 PolarHBondContact O-N 2.81Å; E106-R108 VanDerWaalsContact O-N 3.12Å; E106-R108 IonicContact OE1-NH2 2.71Å; E106-R108 IonicContact OE2-CZ 2.83Å; E106-R108 IonicContact OE2-NE 2.89Å; E106-R108 PolarHBondContact OE2-NE 2.78Å; E106-R108 IonicContact OE2-NH2 3.76Å; E106-R108 PolarHBondContact OE2-NH2 2.79Å | ||
| 109 | G | 84.6 | Confident | 88 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 87.9 | -177.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F107 H111 S112 N138 | F107-G109 PolarHBondContact O-N 2.92Å; F107-G109 VanDerWaalsContact O-N 3.13Å; G109-H111 VanDerWaalsContact C-N 3.31Å; G109-H111 PolarHBondContact O-N 2.84Å; G109-S112 PolarHBondContact O-N 3.45Å; G109-N138 PolarHBondContact N-O 3.45Å; G109-N138 VanDerWaalsContact N-O 3.08Å |
| 110 | P | 84.6 | Confident | 88.7 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -75 | -18.3 | -168.1 | 29.5 | -35.9 | 0 | 0 | 0 | 113.9 | L113 | P110-L113 PolarHBondContact O-N 2.79Å |
| 111 | H | 86.6 | Confident | 89.1 | Confident | 142 Ų | 142 | 56.9 Ų | 56.9 | 66% | 0.657 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.7 | -39.6 | 177.8 | -69.1 | -66.9 | 0 | 0 | 0 | 111.7 | G109 L113 Q114 | G109-H111 VanDerWaalsContact C-N 3.31Å; G109-H111 PolarHBondContact O-N 2.84Å; H111-L113 PolarHBondContact O-N 2.77Å; H111-Q114 WeakPolarHBondContact O-CB 3.27Å; H111-Q114 PolarHBondContact O-N 2.79Å |
| 112 | S | 85.9 | Confident | 89.1 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.5 | -33.2 | 177 | -55.6 | 0 | 0 | 0 | 0 | 112 | E106 G109 Q114 E115 W116 | E106-S112 WeakPolarHBondContact O-CB 3.47Å; E106-S112 PolarHBondContact O-OG 2.9Å; G109-S112 PolarHBondContact O-N 3.45Å; S112-Q114 PolarHBondContact O-N 3.16Å; S112-E115 WeakPolarHBondContact O-CB 3.34Å; S112-E115 PolarHBondContact O-N 2.72Å; S112-E115 VanDerWaalsContact O-N 3.13Å; S112-W116 VanDerWaalsContact O-CD1 3.26Å |
| 113 | L | 86.8 | Confident | 88.9 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -25.3 | 177.3 | -60 | -171 | 0 | 0 | 0 | 113.1 | F107 P110 H111 E115 W116 L132 V134 C141 | F107-L113 HydrophobicContact CD1-CD2 4.41Å; P110-L113 PolarHBondContact O-N 2.79Å; H111-L113 PolarHBondContact O-N 2.77Å; L113-E115 PolarHBondContact O-N 2.79Å; L113-W116 PolarHBondContact O-N 3.24Å; L113-W116 VanDerWaalsContact O-N 3.11Å; L113-L132 HydrophobicContact CB-CD2 4.1Å; L113-L132 HydrophobicContact CD1-CG 4.44Å; L113-L132 HydrophobicContact CD2-CD2 3.9Å; L113-L132 HydrophobicContact CD2-CG 3.99Å; L113-L132 HydrophobicContact CG-CD2 4.4Å; L113-V134 HydrophobicContact CD1-CG2 3.41Å; L113-V134 VanDerWaalsContact CD1-CG2 3.41Å; L113-V134 HydrophobicContact CD2-CG2 4.45Å; L113-V134 HydrophobicContact CG-CG2 3.9Å; L113-C141 HydrophobicContact CD2-CB 4.38Å |
| 114 | Q | 89.1 | Confident | 88.5 | Confident | 129 Ų | 129 | 60.2 Ų | 60.2 | 60% | 0.603 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.4 | 178.5 | -58.6 | -176.7 | 4.5 | 0 | 0 | 112.4 | H111 S112 W116 K168 | H111-Q114 WeakPolarHBondContact O-CB 3.27Å; H111-Q114 PolarHBondContact O-N 2.79Å; S112-Q114 PolarHBondContact O-N 3.16Å; Q114-W116 PolarHBondContact O-N 2.99Å; Q114-K168 WeakPolarHBondContact O-CD 3.4Å; Q114-K168 VanDerWaalsContact O-CE 3.25Å; Q114-K168 WeakPolarHBondContact O-CE 3.46Å; Q114-K168 PolarHBondContact O-NZ 2.66Å |
| 115 | E | 89.4 | Confident | 88.2 | Confident | 96 Ų | 96 | 59.8 Ų | 59.8 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -9.6 | 174.1 | -58.3 | -175.5 | 167.6 | 0 | 0 | 112.1 | S112 L113 S167 K168 | S112-E115 WeakPolarHBondContact O-CB 3.34Å; S112-E115 PolarHBondContact O-N 2.72Å; S112-E115 VanDerWaalsContact O-N 3.13Å; L113-E115 PolarHBondContact O-N 2.79Å; E115-S167 CarbonylContact O-C 3.57Å; E115-K168 VanDerWaalsContact O-CB 3.29Å; E115-K168 WeakPolarHBondContact O-CB 3.27Å; E115-K168 VanDerWaalsContact O-CG 3.31Å; E115-K168 WeakPolarHBondContact O-CG 3.36Å; E115-K168 PolarHBondContact O-N 3.05Å |
| 116 | W | 92.4 | Very high | 88 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 4% | 0.038 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 144.5 | -178.2 | -61.4 | 80.5 | 0 | 0 | 0 | 110.7 | W105 F107 S112 L113 Q114 L132 M165 R166 S167 F264 I281 | W105-W116 HydrophobicContact CB-CZ2 4.12Å; W105-W116 AromaticContact CD1-CZ2 3.97Å; W105-W116 HydrophobicContact CD2-CZ2 4.2Å; W105-W116 AromaticContact CG-CZ2 3.81Å; W105-W116 HydrophobicContact CG-CZ2 3.81Å; F107-W116 AromaticContact CE1-CD1 3.71Å; F107-W116 HydrophobicContact CE1-CD2 4.35Å; F107-W116 AromaticContact CE1-CE2 3.6Å; F107-W116 HydrophobicContact CE1-CG 4.42Å; F107-W116 HydrophobicContact CE1-CZ2 4.05Å; F107-W116 AromaticContact CE1-NE1 3.18Å; F107-W116 HydrophobicContact CZ-CD2 4.47Å; F107-W116 AromaticContact CZ-CE2 3.6Å; F107-W116 HydrophobicContact CZ-CH2 4.41Å; F107-W116 AromaticContact CZ-CZ2 3.56Å; F107-W116 HydrophobicContact CZ-CZ2 3.56Å; F107-W116 AromaticContact CZ-NE1 3.67Å; S112-W116 VanDerWaalsContact O-CD1 3.26Å; L113-W116 PolarHBondContact O-N 3.24Å; L113-W116 VanDerWaalsContact O-N 3.11Å; Q114-W116 PolarHBondContact O-N 2.99Å; W116-L132 HydrophobicContact CB-CD2 4.18Å; W116-M165 HydrophobicContact CB-CG 4.37Å; W116-M165 HydrophobicContact CD2-CE 4.29Å; W116-M165 HydrophobicContact CD2-CG 4.46Å; W116-M165 HydrophobicContact CD2-SD 4.4Å; W116-M165 HydrophobicContact CE3-CE 3.71Å; W116-M165 HydrophobicContact CE3-CG 3.8Å; W116-M165 HydrophobicContact CE3-SD 4.09Å; W116-M165 HydrophobicContact CH2-CE 4.42Å; W116-M165 HydrophobicContact CZ3-CE 3.78Å; W116-R166 CarbonylContact C-O 3.25Å; W116-R166 WeakPolarHBondContact CA-O 3.13Å; W116-R166 VanDerWaalsContact CE3-C 3.44Å; W116-S167 VanDerWaalsContact CE3-N 3.26Å; W116-F264 HydrophobicContact CH2-CE2 4.32Å; W116-F264 HydrophobicContact CZ3-CD2 4.44Å; W116-F264 HydrophobicContact CZ3-CE2 4.35Å; W116-I281 HydrophobicContact CH2-CD1 3.42Å; W116-I281 VanDerWaalsContact CH2-CD1 3.42Å; W116-I281 HydrophobicContact CZ2-CD1 3.72Å |
| 117 | T | 93 | Very high | 88 | Confident | 63 Ų | 63 | 62 Ų | 62 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136 | 172 | -54.9 | 0 | 0 | 0 | 0 | 107.6 | R166 K168 | T117-R166 PolarHBondContact N-O 2.86Å; T117-R166 PolarHBondContact O-N 2.81Å; T117-K168 WeakPolarHBondContact OG1-CE 3.42Å; T117-K168 VanDerWaalsContact OG1-CG 3.32Å; T117-K168 WeakPolarHBondContact OG1-CG 3.48Å |
| 118 | I | 93.8 | Very high | 88.3 | Confident | 57 Ų | 57 | 62 Ų | 62 | 29% | 0.292 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.2 | 179.2 | -42.9 | 160 | 0 | 0 | 0 | 107.2 | I130 L132 T164 | I118-I130 HydrophobicContact CG2-CB 4.01Å; I118-I130 HydrophobicContact CG2-CD1 3.48Å; I118-I130 VanDerWaalsContact CG2-CD1 3.48Å; I118-I130 HydrophobicContact CG2-CG1 3.55Å; I118-I130 HydrophobicContact CG2-CG2 3.3Å; I118-L132 HydrophobicContact CD1-CB 3.34Å; I118-L132 HydrophobicContact CD1-CD2 4.17Å; I118-L132 HydrophobicContact CD1-CG 4.32Å; I118-L132 HydrophobicContact CG1-CB 4.17Å; I118-L132 HydrophobicContact CG1-CD2 4.29Å; I118-T164 CarbonylContact C-O 3.48Å; I118-T164 WeakPolarHBondContact CA-O 3.14Å; I118-T164 WeakPolarHBondContact CG2-O 3.25Å |
| 119 | S | 92.9 | Very high | 88.6 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.5 | 173 | -74 | 0 | 0 | 0 | 0 | 109.4 | E123 T164 | S119-E123 VanDerWaalsContact CB-OE1 3.28Å; S119-E123 WeakPolarHBondContact CB-OE1 3.48Å; S119-E123 PolarHBondContact OG-OE1 2.85Å; S119-T164 PolarHBondContact N-O 3.09Å; S119-T164 WeakPolarHBondContact O-CG2 3.25Å; S119-T164 PolarHBondContact O-N 3Å; S119-T164 VanDerWaalsContact O-O 3.06Å |
| 120 | C | 91.3 | Very high | 89.1 | Confident | 19 Ų | 19 | 57 Ų | 57 | 13% | 0.128 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 166.2 | 177.7 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | R122 E123 I130 Y162 | C120-R122 PolarHBondContact O-N 3.29Å; C120-E123 WeakPolarHBondContact O-CB 2.99Å; C120-E123 PolarHBondContact O-N 3.17Å; C120-I130 HydrophobicContact CB-CB 4.46Å; C120-I130 HydrophobicContact CB-CG2 3.58Å; C120-Y162 WeakPolarHBondContact CA-O 3.38Å; C120-Y162 PolarHBondContact O-OH 3.27Å |
| 121 | D | 89.1 | Confident | 89.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -55 | -18.3 | 176.6 | -175.3 | 34 | 0 | 0 | 0 | 114.9 | E123 I124 G125 G126 S160 G161 Y162 | D121-E123 PolarHBondContact O-N 2.9Å; D121-I124 PolarHBondContact O-N 2.73Å; D121-G125 PolarHBondContact O-N 2.87Å; D121-G126 PolarHBondContact O-N 2.95Å; D121-G126 WeakPolarHBondContact OD2-CA 3.45Å; D121-S160 WeakPolarHBondContact OD2-CB 3.18Å; D121-G161 VanDerWaalsContact CG-N 3.34Å; D121-G161 PolarHBondContact OD2-N 2.7Å; D121-Y162 HydrophobicContact CB-CD1 3.86Å; D121-Y162 HydrophobicContact CB-CE1 3.97Å; D121-Y162 PolarHBondContact N-O 3.05Å |
| 122 | R | 87.3 | Confident | 89.9 | Confident | 127 Ų | 127 | 52.3 Ų | 52.3 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -53.7 | -27.5 | 169.1 | -178.9 | 173.6 | -89 | 174.1 | 0.4 | 112.4 | R45 C120 I124 G125 E129 | R45-R122 PolarHBondContact NH2-O 3.08Å; C120-R122 PolarHBondContact O-N 3.29Å; R122-I124 VanDerWaalsContact C-N 3.3Å; R122-I124 PolarHBondContact O-N 2.81Å; R122-G125 PolarHBondContact O-N 3.02Å; R122-E129 IonicContact CZ-OE1 3.13Å; R122-E129 IonicContact NH1-OE1 3.23Å; R122-E129 IonicContact NH2-OE1 2.67Å; R122-E129 PolarHBondContact NH2-OE1 3.31Å |
| 123 | E | 84.9 | Confident | 90.1 | Very high | 97 Ų | 97 | 56.7 Ų | 56.7 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -64.3 | -32.3 | 174.8 | -70.2 | -178.6 | -155.8 | 0 | 0 | 113.1 | R45 S119 C120 D121 | R45-E123 PolarHBondContact NE-O 3.15Å; R45-E123 VanDerWaalsContact NH2-C 3.27Å; R45-E123 PolarHBondContact NH2-O 2.81Å; S119-E123 VanDerWaalsContact CB-OE1 3.28Å; S119-E123 WeakPolarHBondContact CB-OE1 3.48Å; S119-E123 PolarHBondContact OG-OE1 2.85Å; C120-E123 WeakPolarHBondContact O-CB 2.99Å; C120-E123 PolarHBondContact O-N 3.17Å; D121-E123 PolarHBondContact O-N 2.9Å |
| 124 | I | 83 | Confident | 90.3 | Very high | 39 Ų | 39 | 57 Ų | 57 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -22 | 179.7 | -56.6 | -177.4 | 0 | 0 | 0 | 111.1 | Y43 D121 R122 T157 Y162 | Y43-I124 HydrophobicContact CE1-CG1 4.42Å; Y43-I124 HydrophobicContact CE1-CG2 4.35Å; D121-I124 PolarHBondContact O-N 2.73Å; R122-I124 VanDerWaalsContact C-N 3.3Å; R122-I124 PolarHBondContact O-N 2.81Å; I124-T157 HydrophobicContact CG2-CG2 3.68Å; I124-Y162 HydrophobicContact CD1-CE1 3.74Å; I124-Y162 HydrophobicContact CG1-CE1 4.38Å |
| 125 | G | 82.9 | Confident | 90 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 121.5 | 2.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D121 R122 | D121-G125 PolarHBondContact O-N 2.87Å; R122-G125 PolarHBondContact O-N 3.02Å |
| 126 | G | 86.9 | Confident | 89.4 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | trans | -75.7 | 179 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D121 | D121-G126 PolarHBondContact O-N 2.95Å; D121-G126 WeakPolarHBondContact OD2-CA 3.45Å | ||
| 127 | K | 90.4 | Very high | 88.6 | Confident | 132 Ų | 132 | 63.6 Ų | 63.6 | 57% | 0.574 | 31% | 0.305 | S | S | * | . | trans | -102.6 | 0.9 | -170.8 | -58.8 | 174.8 | -168.2 | 161.4 | 0 | 114 | C148 D150 | K127-C148 HydrophobicContact CB-CB 4.06Å; K127-D150 IonicContact NZ-OD2 2.83Å; K127-D150 PolarHBondContact NZ-OD2 3.25Å; K127-D150 VanDerWaalsContact NZ-OD2 3.15Å | ||
| 128 | S | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -67.5 | 141.1 | -179 | -62 | 0 | 0 | 0 | 0 | 111.4 | T146 C148 | S128-T146 WeakPolarHBondContact CA-O 3.42Å; S128-C148 PolarHBondContact OG-N 2.88Å; S128-C148 PolarHBondContact OG-O 3.13Å | ||
| 129 | E | 93.8 | Very high | 87.3 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.2 | 179 | -61.4 | -168.1 | 145.9 | 0 | 0 | 110.3 | R122 Y131 G145 T146 | R122-E129 IonicContact CZ-OE1 3.13Å; R122-E129 IonicContact NH1-OE1 3.23Å; R122-E129 IonicContact NH2-OE1 2.67Å; R122-E129 PolarHBondContact NH2-OE1 3.31Å; E129-Y131 HydrophobicContact CB-CE2 4.04Å; E129-Y131 PolarHBondContact OE2-OH 3.23Å; E129-G145 CarbonylContact O-C 3.54Å; E129-G145 WeakPolarHBondContact O-CA 3.43Å; E129-T146 PolarHBondContact N-O 3.47Å; E129-T146 PolarHBondContact O-N 3.47Å |
| 130 | I | 94.8 | Very high | 87.1 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 138.3 | -177 | -170.4 | 166 | 0 | 0 | 0 | 110.1 | I118 C120 L143 C163 F274 | I118-I130 HydrophobicContact CG2-CB 4.01Å; I118-I130 HydrophobicContact CG2-CD1 3.48Å; I118-I130 VanDerWaalsContact CG2-CD1 3.48Å; I118-I130 HydrophobicContact CG2-CG1 3.55Å; I118-I130 HydrophobicContact CG2-CG2 3.3Å; C120-I130 HydrophobicContact CB-CB 4.46Å; C120-I130 HydrophobicContact CB-CG2 3.58Å; I130-L143 HydrophobicContact CD1-CD1 3.7Å; I130-L143 HydrophobicContact CD1-CD2 4.37Å; I130-L143 HydrophobicContact CD1-CG 4.28Å; I130-L143 HydrophobicContact CG1-CD1 3.69Å; I130-L143 HydrophobicContact CG1-CG 4.42Å; I130-C163 HydrophobicContact CB-CB 4.5Å; I130-C163 HydrophobicContact CD1-CB 3.63Å; I130-C163 HydrophobicContact CG1-CB 4.49Å; I130-F274 HydrophobicContact CB-CZ 4.28Å; I130-F274 HydrophobicContact CD1-CE2 4.36Å; I130-F274 HydrophobicContact CD1-CZ 4.12Å; I130-F274 HydrophobicContact CG1-CE2 4.3Å; I130-F274 HydrophobicContact CG1-CZ 3.98Å |
| 131 | Y | 94.4 | Very high | 87.2 | Confident | 96 Ų | 96 | 66.5 Ų | 66.5 | 38% | 0.376 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146.5 | -176.6 | -58.8 | -75.9 | 0 | 0 | 0 | 110.2 | E129 Y144 | E129-Y131 HydrophobicContact CB-CE2 4.04Å; E129-Y131 PolarHBondContact OE2-OH 3.23Å; Y131-Y144 VanDerWaalsContact CB-CZ 3.4Å; Y131-Y144 WeakPolarHBondContact CB-OH 3.4Å; Y131-Y144 HydrophobicContact CD2-CD2 4.43Å; Y131-Y144 AromaticContact CD2-CE2 3.87Å; Y131-Y144 HydrophobicContact CD2-CE2 3.87Å; Y131-Y144 HydrophobicContact CG-CE2 4.16Å; Y131-Y144 PolarHBondContact N-O 2.84Å; Y131-Y144 PolarHBondContact O-N 2.87Å; Y131-Y144 VanDerWaalsContact O-O 3.13Å |
| 132 | L | 92.4 | Very high | 87.3 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 17% | 0.173 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.7 | 177.4 | -166.7 | 72.2 | 0 | 0 | 0 | 108.7 | L113 W116 I118 C141 L143 M165 | L113-L132 HydrophobicContact CB-CD2 4.1Å; L113-L132 HydrophobicContact CD1-CG 4.44Å; L113-L132 HydrophobicContact CD2-CD2 3.9Å; L113-L132 HydrophobicContact CD2-CG 3.99Å; L113-L132 HydrophobicContact CG-CD2 4.4Å; W116-L132 HydrophobicContact CB-CD2 4.18Å; I118-L132 HydrophobicContact CD1-CB 3.34Å; I118-L132 HydrophobicContact CD1-CD2 4.17Å; I118-L132 HydrophobicContact CD1-CG 4.32Å; I118-L132 HydrophobicContact CG1-CB 4.17Å; I118-L132 HydrophobicContact CG1-CD2 4.29Å; L132-C141 WeakPolarHBondContact CD1-SG 3.17Å; L132-L143 HydrophobicContact CD1-CB 4.42Å; L132-L143 HydrophobicContact CD1-CD1 3.93Å; L132-M165 HydrophobicContact CD1-SD 3.55Å; L132-M165 VanDerWaalsContact CD1-SD 3.55Å |
| 133 | K | 91.5 | Very high | 87.6 | Confident | 111 Ų | 111 | 61.9 Ų | 61.9 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 156.4 | 175.6 | -80.9 | -178.5 | 178.7 | 163.6 | 0 | 109.8 | L142 Y144 | K133-L142 HydrophobicContact CB-CB 4.5Å; K133-L142 PolarHBondContact N-O 2.95Å; K133-L142 WeakPolarHBondContact O-CA 3.25Å; K133-L142 PolarHBondContact O-N 3.27Å; K133-Y144 HydrophobicContact CB-CE1 4.01Å; K133-Y144 HydrophobicContact CD-CE1 3.53Å; K133-Y144 WeakPolarHBondContact CD-OH 3.46Å; K133-Y144 WeakPolarHBondContact CE-OH 3.49Å; K133-Y144 HydrophobicContact CG-CE1 3.71Å; K133-Y144 PolarHBondContact NZ-OH 3.4Å |
| 134 | V | 89.6 | Confident | 88.1 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 22% | 0.218 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139.6 | 164.9 | -166.8 | 0 | 0 | 0 | 0 | 107.8 | L113 N138 | L113-V134 HydrophobicContact CD1-CG2 3.41Å; L113-V134 VanDerWaalsContact CD1-CG2 3.41Å; L113-V134 HydrophobicContact CD2-CG2 4.45Å; L113-V134 HydrophobicContact CG-CG2 3.9Å; V134-N138 HydrophobicContact CG1-CB 4.34Å |
| 135 | G | 83.2 | Confident | 88.6 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | trans | -66.4 | 170.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N137 N138 S140 | G135-N137 PolarHBondContact O-N 3.25Å; G135-N138 PolarHBondContact O-N 2.87Å; G135-S140 PolarHBondContact N-O 2.97Å | ||
| 136 | R | 76.6 | Confident | 89.2 | Confident | 251 Ų | 251 | 60.5 Ų | 60.5 | 95% | 0.947 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.3 | -170.9 | -68.4 | -179.2 | -179.4 | 176.2 | 0.3 | 114.7 | ||
| 137 | N | 76.1 | Confident | 89.5 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 63% | 0.626 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 6.6 | -178.6 | -64.1 | 0.1 | 0 | 0 | 0 | 113.9 | G135 E139 | G135-N137 PolarHBondContact O-N 3.25Å; N137-E139 HydrophobicContact CB-CB 4.48Å; N137-E139 HydrophobicContact CB-CG 4.41Å; N137-E139 PolarHBondContact O-N 3.25Å; N137-E139 VanDerWaalsContact O-N 3.14Å |
| 138 | N | 77.3 | Confident | 89.6 | Confident | 106 Ų | 106 | 54.8 Ų | 54.8 | 57% | 0.567 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 61 | 10.9 | -171.7 | -62.7 | -35.4 | 0 | 0 | 0 | 116.2 | F107 G109 V134 G135 | F107-N138 VanDerWaalsContact O-O 3.08Å; G109-N138 PolarHBondContact N-O 3.45Å; G109-N138 VanDerWaalsContact N-O 3.08Å; V134-N138 HydrophobicContact CG1-CB 4.34Å; G135-N138 PolarHBondContact O-N 2.87Å |
| 139 | E | 82.9 | Confident | 89.5 | Confident | 114 Ų | 114 | 56 Ų | 56 | 53% | 0.533 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -103.3 | -24.5 | -176.2 | -70.3 | 166.7 | 164.2 | 0 | 0 | 112.6 | F107 N137 | F107-E139 CarbonylContact C-O 3.35Å; F107-E139 CarbonylContact O-C 3.53Å; F107-E139 VanDerWaalsContact O-C 3.25Å; F107-E139 VanDerWaalsContact O-O 3.13Å; N137-E139 HydrophobicContact CB-CB 4.48Å; N137-E139 HydrophobicContact CB-CG 4.41Å; N137-E139 PolarHBondContact O-N 3.25Å; N137-E139 VanDerWaalsContact O-N 3.14Å |
| 140 | S | 88.8 | Confident | 89.3 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -117 | 158.8 | -175.2 | 66.7 | 0 | 0 | 0 | 0 | 113 | G135 I278 | G135-S140 PolarHBondContact N-O 2.97Å; S140-I278 CarbonylContact C-O 3.56Å; S140-I278 WeakPolarHBondContact CA-O 3.49Å; S140-I278 WeakPolarHBondContact CB-O 3.46Å |
| 141 | C | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.5 | 171.1 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | F107 L113 L132 E277 I278 | F107-C141 HydrophobicContact CB-CB 3.92Å; F107-C141 HydrophobicContact CD1-CB 3.35Å; F107-C141 HydrophobicContact CD2-CB 3.7Å; F107-C141 HydrophobicContact CE1-CB 3.55Å; F107-C141 HydrophobicContact CE2-CB 3.97Å; F107-C141 HydrophobicContact CG-CB 3.38Å; F107-C141 HydrophobicContact CZ-CB 3.88Å; L113-C141 HydrophobicContact CD2-CB 4.38Å; L132-C141 WeakPolarHBondContact CD1-SG 3.17Å; C141-E277 CarbonylContact O-C 3.59Å; C141-E277 VanDerWaalsContact O-CA 3.25Å; C141-E277 WeakPolarHBondContact O-CA 3.28Å; C141-I278 PolarHBondContact N-O 3.09Å; C141-I278 PolarHBondContact O-N 3.07Å |
| 142 | L | 92.6 | Very high | 88.5 | Confident | 30 Ų | 30 | 55.3 Ų | 55.3 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 107.6 | 178 | 173.6 | 64.8 | 0 | 0 | 0 | 109.3 | K133 Y144 Q275 E277 | K133-L142 HydrophobicContact CB-CB 4.5Å; K133-L142 PolarHBondContact N-O 2.95Å; K133-L142 WeakPolarHBondContact O-CA 3.25Å; K133-L142 PolarHBondContact O-N 3.27Å; L142-Y144 HydrophobicContact CD2-CD1 4.21Å; L142-Y144 HydrophobicContact CG-CD1 3.94Å; L142-Q275 HydrophobicContact CD1-CG 3.52Å; L142-Q275 VanDerWaalsContact CD1-NE2 3.27Å; L142-E277 HydrophobicContact CB-CG 4.16Å; L142-E277 HydrophobicContact CD1-CG 3.31Å; L142-E277 HydrophobicContact CG-CG 4.31Å |
| 143 | L | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.2 | 170 | -174.2 | 70.1 | 0 | 0 | 0 | 108.5 | I130 L132 M165 W199 F274 Q275 L276 | I130-L143 HydrophobicContact CD1-CD1 3.7Å; I130-L143 HydrophobicContact CD1-CD2 4.37Å; I130-L143 HydrophobicContact CD1-CG 4.28Å; I130-L143 HydrophobicContact CG1-CD1 3.69Å; I130-L143 HydrophobicContact CG1-CG 4.42Å; L132-L143 HydrophobicContact CD1-CB 4.42Å; L132-L143 HydrophobicContact CD1-CD1 3.93Å; L143-M165 HydrophobicContact CD1-CB 4.2Å; L143-M165 HydrophobicContact CD1-SD 4.2Å; L143-M165 HydrophobicContact CD2-CB 3.95Å; L143-M165 HydrophobicContact CD2-SD 4.38Å; L143-W199 HydrophobicContact CD2-CH2 3.48Å; L143-W199 VanDerWaalsContact CD2-CH2 3.48Å; L143-W199 HydrophobicContact CD2-CZ3 3.66Å; L143-W199 HydrophobicContact CG-CH2 4.36Å; L143-F274 HydrophobicContact CG-CE2 4.36Å; L143-Q275 CarbonylContact O-C 3.59Å; L143-Q275 WeakPolarHBondContact O-CA 3.37Å; L143-L276 WeakPolarHBondContact CA-O 3.44Å; L143-L276 HydrophobicContact CB-CB 4.4Å; L143-L276 WeakPolarHBondContact CB-O 3.45Å; L143-L276 PolarHBondContact N-O 3.17Å; L143-L276 PolarHBondContact O-N 2.92Å |
| 144 | Y | 94.1 | Very high | 87.5 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 24% | 0.235 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 157.1 | 179.3 | 70.7 | -78 | 0 | 0 | 0 | 110.6 | Y131 K133 L142 F274 | Y131-Y144 VanDerWaalsContact CB-CZ 3.4Å; Y131-Y144 WeakPolarHBondContact CB-OH 3.4Å; Y131-Y144 HydrophobicContact CD2-CD2 4.43Å; Y131-Y144 AromaticContact CD2-CE2 3.87Å; Y131-Y144 HydrophobicContact CD2-CE2 3.87Å; Y131-Y144 HydrophobicContact CG-CE2 4.16Å; Y131-Y144 PolarHBondContact N-O 2.84Å; Y131-Y144 PolarHBondContact O-N 2.87Å; Y131-Y144 VanDerWaalsContact O-O 3.13Å; K133-Y144 HydrophobicContact CB-CE1 4.01Å; K133-Y144 HydrophobicContact CD-CE1 3.53Å; K133-Y144 WeakPolarHBondContact CD-OH 3.46Å; K133-Y144 WeakPolarHBondContact CE-OH 3.49Å; K133-Y144 HydrophobicContact CG-CE1 3.71Å; K133-Y144 PolarHBondContact NZ-OH 3.4Å; L142-Y144 HydrophobicContact CD2-CD1 4.21Å; L142-Y144 HydrophobicContact CG-CD1 3.94Å; Y144-F274 VanDerWaalsContact CA-O 3.28Å; Y144-F274 WeakPolarHBondContact CA-O 3.38Å |
| 145 | G | 94.3 | Very high | 86.9 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | -168.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E129 P273 F274 | E129-G145 CarbonylContact O-C 3.54Å; E129-G145 WeakPolarHBondContact O-CA 3.43Å; G145-P273 CarbonylContact O-C 3.52Å; G145-P273 VanDerWaalsContact O-CA 3.26Å; G145-P273 WeakPolarHBondContact O-CA 3.36Å; G145-F274 PolarHBondContact N-O 3.49Å; G145-F274 VanDerWaalsContact N-O 3.15Å; G145-F274 PolarHBondContact O-N 3.39Å |
| 146 | T | 94.8 | Very high | 86.8 | Confident | 69 Ų | 69 | 70.7 Ų | 70.7 | 42% | 0.423 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122.6 | 177.3 | -53.6 | 0 | 0 | 0 | 0 | 108.2 | S128 E129 | S128-T146 WeakPolarHBondContact CA-O 3.42Å; E129-T146 PolarHBondContact N-O 3.47Å; E129-T146 PolarHBondContact O-N 3.47Å |
| 147 | L | 94.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 134.7 | 173.7 | -164.4 | 71 | 0 | 0 | 0 | 109.2 | C163 L266 D268 D271 G272 F274 | L147-C163 HydrophobicContact CD1-CB 4.2Å; L147-L266 HydrophobicContact CD2-CD2 4.21Å; L147-L266 HydrophobicContact CD2-CG 4.18Å; L147-D268 VanDerWaalsContact CD2-OD1 3.26Å; L147-D268 WeakPolarHBondContact CD2-OD1 3.47Å; L147-D271 WeakPolarHBondContact O-CA 3.26Å; L147-G272 PolarHBondContact N-O 3.3Å; L147-G272 PolarHBondContact O-N 2.66Å; L147-F274 HydrophobicContact CB-CD1 4.09Å; L147-F274 HydrophobicContact CB-CE1 4.27Å |
| 148 | C | 92.5 | Very high | 87.4 | Confident | 20 Ų | 20 | 64 Ų | 64 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | trans | -138.6 | 121 | 172.9 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | K127 S128 G161 D271 | K127-C148 HydrophobicContact CB-CB 4.06Å; S128-C148 PolarHBondContact OG-N 2.88Å; S128-C148 PolarHBondContact OG-O 3.13Å; C148-G161 WeakPolarHBondContact O-CA 3.47Å; C148-G161 PolarHBondContact O-N 3.34Å; C148-D271 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 149 | S | 90.1 | Very high | 87.8 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | trans | -95.9 | 5.2 | -173.4 | -44.2 | 0 | 0 | 0 | 0 | 112.8 | P151 S160 K269 D271 | S149-P151 WeakPolarHBondContact O-CD 3.17Å; S149-S160 PolarHBondContact O-OG 3.04Å; S149-K269 WeakPolarHBondContact OG-CA 3.19Å; S149-D271 VanDerWaalsContact CB-OD1 3.26Å; S149-D271 WeakPolarHBondContact CB-OD1 3.1Å; S149-D271 PolarHBondContact N-OD1 2.89Å; S149-D271 PolarHBondContact OG-OD1 3.01Å | ||
| 150 | D | 89.9 | Confident | 87.9 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 118.8 | 172.8 | -78.1 | -18.7 | 0 | 0 | 0 | 110 | K127 S160 | K127-D150 IonicContact NZ-OD2 2.83Å; K127-D150 PolarHBondContact NZ-OD2 3.25Å; K127-D150 VanDerWaalsContact NZ-OD2 3.15Å; D150-S160 PolarHBondContact O-OG 3.42Å |
| 151 | P | 87.3 | Confident | 88 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 146.5 | 176 | 27.6 | -32.9 | 0 | 0 | 0 | 111 | S149 S160 | S149-P151 WeakPolarHBondContact O-CD 3.17Å; P151-S160 VanDerWaalsContact CA-OG 3.23Å; P151-S160 WeakPolarHBondContact CA-OG 3.49Å; P151-S160 VanDerWaalsContact N-OG 3.1Å |
| 152 | P | 86.1 | Confident | 88 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -64 | 149.1 | 171.5 | 26.7 | -31.9 | 0 | 0 | 0 | 110.7 | D154 T157 | P152-D154 PolarHBondContact O-N 3.42Å; P152-T157 HydrophobicContact CG-CG2 3.98Å |
| 153 | K | 83.2 | Confident | 88.1 | Confident | 213 Ų | 213 | 64.3 Ų | 64.3 | 93% | 0.926 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 43.2 | -177.9 | -61.6 | -175.4 | 179.8 | -177.8 | 0 | 112.6 | ||
| 154 | D | 79.8 | Confident | 88.1 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 43% | 0.428 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -10.7 | -177.5 | -62.9 | -26.6 | 0 | 0 | 0 | 112.6 | P152 E156 | P152-D154 PolarHBondContact O-N 3.42Å; D154-E156 PolarHBondContact O-N 2.96Å; D154-E156 VanDerWaalsContact O-N 3.15Å |
| 155 | G | 76.9 | Confident | 88.1 | Confident | 82 Ų | 82 | 62 Ų | 62 | 85% | 0.845 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 77.8 | -15 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 156 | E | 80.4 | Confident | 88.1 | Confident | 135 Ų | 135 | 67.4 Ų | 67.4 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -99.9 | -43.5 | 177.5 | -64.3 | -172.4 | -171.4 | 0 | 0 | 113.1 | P46 D154 R158 | P46-E156 HydrophobicContact CB-CG 4.42Å; P46-E156 WeakPolarHBondContact CB-OE2 3.47Å; P46-E156 HydrophobicContact CG-CB 4.14Å; P46-E156 HydrophobicContact CG-CG 4.31Å; P46-E156 WeakPolarHBondContact CG-OE2 3.26Å; D154-E156 PolarHBondContact O-N 2.96Å; D154-E156 VanDerWaalsContact O-N 3.15Å; E156-R158 PolarHBondContact O-N 3.2Å |
| 157 | T | 82.1 | Confident | 88.1 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | trans | -74.5 | 112.7 | -177.4 | -56 | 0 | 0 | 0 | 0 | 110.7 | I124 P152 Y159 | I124-T157 HydrophobicContact CG2-CG2 3.68Å; P152-T157 HydrophobicContact CG-CG2 3.98Å; T157-Y159 WeakPolarHBondContact CG2-O 3.35Å | ||
| 158 | R | 83.4 | Confident | 88 | Confident | 207 Ų | 207 | 69.3 Ų | 69.3 | 78% | 0.781 | 34% | 0.341 | S | S | * | . | trans | -90.1 | -28.5 | 179.7 | -63.3 | -175.1 | -177 | -175.7 | -0.2 | 114.1 | E156 | E156-R158 PolarHBondContact O-N 3.2Š| ||
| 159 | Y | 84.6 | Confident | 87.8 | Confident | 180 Ų | 180 | 70.8 Ų | 70.8 | 71% | 0.706 | 35% | 0.346 | S | S | * | . | trans | -131.4 | 137.8 | -174.4 | -55.3 | -64.9 | 0 | 0 | 0 | 109.7 | T157 | T157-Y159 WeakPolarHBondContact CG2-O 3.35Š| ||
| 160 | S | 86.9 | Confident | 87.6 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | trans | -147.7 | 176.6 | -179 | 78 | 0 | 0 | 0 | 0 | 107.9 | D121 S149 D150 P151 | D121-S160 WeakPolarHBondContact OD2-CB 3.18Å; S149-S160 PolarHBondContact O-OG 3.04Å; D150-S160 PolarHBondContact O-OG 3.42Å; P151-S160 VanDerWaalsContact CA-OG 3.23Å; P151-S160 WeakPolarHBondContact CA-OG 3.49Å; P151-S160 VanDerWaalsContact N-OG 3.1Å | ||
| 161 | G | 89.8 | Confident | 87.5 | Confident | 6 Ų | 6 | 71.7 Ų | 71.7 | 6% | 0.062 | 35% | 0.351 | C | S | . | . | trans | 85.6 | 60.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D121 C148 | D121-G161 VanDerWaalsContact CG-N 3.34Å; D121-G161 PolarHBondContact OD2-N 2.7Å; C148-G161 WeakPolarHBondContact O-CA 3.47Å; C148-G161 PolarHBondContact O-N 3.34Å | ||
| 162 | Y | 91.9 | Very high | 87.5 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 26% | 0.255 | 34% | 0.335 | S | S | . | . | trans | -131 | 145.7 | 165.5 | 81.2 | -84.5 | 0 | 0 | 0 | 111.6 | C120 D121 I124 T164 L266 | C120-Y162 WeakPolarHBondContact CA-O 3.38Å; C120-Y162 PolarHBondContact O-OH 3.27Å; D121-Y162 HydrophobicContact CB-CD1 3.86Å; D121-Y162 HydrophobicContact CB-CE1 3.97Å; D121-Y162 PolarHBondContact N-O 3.05Å; I124-Y162 HydrophobicContact CD1-CE1 3.74Å; I124-Y162 HydrophobicContact CG1-CE1 4.38Å; Y162-T164 HydrophobicContact CD2-CG2 4.35Å; Y162-T164 HydrophobicContact CE2-CG2 4.15Å; Y162-L266 WeakPolarHBondContact CA-O 3.31Å | ||
| 163 | C | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124.3 | 174.7 | -80.5 | 0 | 0 | 0 | 0 | 107.7 | I130 L147 T265 L266 F274 | I130-C163 HydrophobicContact CB-CB 4.5Å; I130-C163 HydrophobicContact CD1-CB 3.63Å; I130-C163 HydrophobicContact CG1-CB 4.49Å; L147-C163 HydrophobicContact CD1-CB 4.2Å; C163-T265 CarbonylContact O-C 3.56Å; C163-T265 WeakPolarHBondContact O-CA 3.29Å; C163-L266 HydrophobicContact CB-CB 4.48Å; C163-L266 PolarHBondContact N-O 3.23Å; C163-L266 PolarHBondContact O-N 2.9Å; C163-F274 HydrophobicContact CB-CE1 4.01Å; C163-F274 HydrophobicContact CB-CE2 4.48Å; C163-F274 HydrophobicContact CB-CZ 3.64Å |
| 164 | T | 93.8 | Very high | 87.7 | Confident | 12 Ų | 12 | 64 Ų | 64 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 140.2 | -178.1 | -168.2 | 0 | 0 | 0 | 0 | 111.8 | I118 S119 Y162 F264 T265 | I118-T164 CarbonylContact C-O 3.48Å; I118-T164 WeakPolarHBondContact CA-O 3.14Å; I118-T164 WeakPolarHBondContact CG2-O 3.25Å; S119-T164 PolarHBondContact N-O 3.09Å; S119-T164 WeakPolarHBondContact O-CG2 3.25Å; S119-T164 PolarHBondContact O-N 3Å; S119-T164 VanDerWaalsContact O-O 3.06Å; Y162-T164 HydrophobicContact CD2-CG2 4.35Å; Y162-T164 HydrophobicContact CE2-CG2 4.15Å; T164-F264 CarbonylContact C-O 3.58Å; T164-F264 VanDerWaalsContact CA-O 3.29Å; T164-F264 WeakPolarHBondContact CA-O 3.19Å; T164-F264 PolarHBondContact OG1-O 2.8Å; T164-T265 PolarHBondContact OG1-OG1 3.32Å |
| 165 | M | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.7 | 166.6 | -173.6 | -175.7 | 72.9 | 0 | 0 | 107.5 | W116 L132 L143 G263 F264 I278 | W116-M165 HydrophobicContact CB-CG 4.37Å; W116-M165 HydrophobicContact CD2-CE 4.29Å; W116-M165 HydrophobicContact CD2-CG 4.46Å; W116-M165 HydrophobicContact CD2-SD 4.4Å; W116-M165 HydrophobicContact CE3-CE 3.71Å; W116-M165 HydrophobicContact CE3-CG 3.8Å; W116-M165 HydrophobicContact CE3-SD 4.09Å; W116-M165 HydrophobicContact CH2-CE 4.42Å; W116-M165 HydrophobicContact CZ3-CE 3.78Å; L132-M165 HydrophobicContact CD1-SD 3.55Å; L132-M165 VanDerWaalsContact CD1-SD 3.55Å; L143-M165 HydrophobicContact CD1-CB 4.2Å; L143-M165 HydrophobicContact CD1-SD 4.2Å; L143-M165 HydrophobicContact CD2-CB 3.95Å; L143-M165 HydrophobicContact CD2-SD 4.38Å; M165-G263 CarbonylContact O-C 3.54Å; M165-G263 WeakPolarHBondContact O-CA 3.41Å; M165-F264 HydrophobicContact CE-CD2 3.5Å; M165-F264 VanDerWaalsContact CE-CD2 3.5Å; M165-F264 HydrophobicContact CE-CE2 4.01Å; M165-F264 HydrophobicContact CE-CG 4.41Å; M165-F264 PolarHBondContact N-O 3.46Å; M165-F264 PolarHBondContact O-N 3.18Å; M165-I278 HydrophobicContact CE-CD1 3.48Å; M165-I278 VanDerWaalsContact CE-CD1 3.48Å |
| 166 | R | 94.3 | Very high | 88.4 | Confident | 120 Ų | 120 | 67.4 Ų | 67.4 | 45% | 0.453 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.7 | -178.9 | -169.5 | -172 | -65.3 | 169.7 | -0.3 | 110.4 | W116 T117 I262 | W116-R166 CarbonylContact C-O 3.25Å; W116-R166 WeakPolarHBondContact CA-O 3.13Å; W116-R166 VanDerWaalsContact CE3-C 3.44Å; T117-R166 PolarHBondContact N-O 2.86Å; T117-R166 PolarHBondContact O-N 2.81Å; R166-I262 CarbonylContact C-O 3.51Å; R166-I262 WeakPolarHBondContact CA-O 2.94Å |
| 167 | S | 94.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 144.3 | 171 | 66.3 | 0 | 0 | 0 | 0 | 110.3 | E115 W116 S261 I262 | E115-S167 CarbonylContact O-C 3.57Å; W116-S167 VanDerWaalsContact CE3-N 3.26Å; S167-S261 WeakPolarHBondContact O-CB 3.24Å; S167-S261 WeakPolarHBondContact OG-CA 3.39Å; S167-S261 WeakPolarHBondContact OG-CB 3.48Å; S167-I262 PolarHBondContact N-O 3.23Å; S167-I262 PolarHBondContact OG-N 2.71Å; S167-I262 PolarHBondContact OG-O 2.99Å |
| 168 | K | 91.6 | Very high | 89 | Confident | 106 Ų | 106 | 69.1 Ų | 69.1 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 136.3 | 173.6 | -70.8 | 175.8 | -174.8 | 171.7 | 0 | 107.9 | Q114 E115 T117 | Q114-K168 WeakPolarHBondContact O-CD 3.4Å; Q114-K168 VanDerWaalsContact O-CE 3.25Å; Q114-K168 WeakPolarHBondContact O-CE 3.46Å; Q114-K168 PolarHBondContact O-NZ 2.66Å; E115-K168 VanDerWaalsContact O-CB 3.29Å; E115-K168 WeakPolarHBondContact O-CB 3.27Å; E115-K168 VanDerWaalsContact O-CG 3.31Å; E115-K168 WeakPolarHBondContact O-CG 3.36Å; E115-K168 PolarHBondContact O-N 3.05Å; T117-K168 WeakPolarHBondContact OG1-CE 3.42Å; T117-K168 VanDerWaalsContact OG1-CG 3.32Å; T117-K168 WeakPolarHBondContact OG1-CG 3.48Å |
| 169 | Q | 89.1 | Confident | 89.3 | Confident | 51 Ų | 51 | 63 Ų | 63 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 127.9 | 171.5 | -177.9 | 173.5 | 11.1 | 0 | 0 | 109.1 | L171 N260 | Q169-L171 PolarHBondContact O-N 3.35Å; Q169-N260 HydrophobicContact CG-CB 4.37Å; Q169-N260 PolarHBondContact NE2-OD1 2.96Å |
| 170 | P | 86.1 | Confident | 89.6 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 138.3 | 175.1 | 27.1 | -34 | 0 | 0 | 0 | 109.6 | K178 | P170-K178 HydrophobicContact CB-CB 4.21Å; P170-K178 HydrophobicContact CG-CB 4.14Å; P170-K178 HydrophobicContact CG-CG 4.48Å; P170-K178 WeakPolarHBondContact O-CB 3.49Å; P170-K178 PolarHBondContact O-N 2.71Å |
| 171 | L | 88.6 | Confident | 89.7 | Confident | 86 Ų | 86 | 60 Ų | 60 | 45% | 0.45 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -110.4 | 128.8 | 177.1 | -62.4 | 176 | 0 | 0 | 0 | 109.2 | Q169 D175 R176 | Q169-L171 PolarHBondContact O-N 3.35Å; L171-D175 HydrophobicContact CD1-CB 4.49Å; L171-R176 CarbonylContact C-O 3.54Å; L171-R176 WeakPolarHBondContact CA-O 3.3Å |
| 172 | A | 86.6 | Confident | 89.7 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | trans | -77 | -177.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E80 D175 R176 K178 | E80-A172 VanDerWaalsContact OE1-CA 3.26Å; E80-A172 WeakPolarHBondContact OE1-CA 3.19Å; E80-A172 WeakPolarHBondContact OE1-CB 3.15Å; A172-D175 PolarHBondContact O-N 2.85Å; A172-R176 HydrophobicContact CB-CB 4.01Å; A172-R176 WeakPolarHBondContact CB-O 3.35Å; A172-R176 PolarHBondContact N-O 2.83Å; A172-K178 HydrophobicContact CB-CB 4.2Å | ||
| 173 | S | 86.4 | Confident | 89.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -55.3 | 141.4 | 177.5 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | L76 L77 E80 D175 R176 | L76-S173 WeakPolarHBondContact CB-OG 3.48Å; L76-S173 PolarHBondContact O-OG 2.71Å; L77-S173 WeakPolarHBondContact CA-OG 3.11Å; L77-S173 PolarHBondContact N-OG 3.02Å; E80-S173 PolarHBondContact OE1-N 3.33Å; E80-S173 PolarHBondContact OE1-OG 3.03Å; E80-S173 PolarHBondContact OE2-OG 3.03Å; S173-D175 VanDerWaalsContact C-N 3.27Å; S173-D175 PolarHBondContact O-N 3.24Å; S173-R176 WeakPolarHBondContact O-CB 3.49Å; S173-R176 WeakPolarHBondContact O-CG 3.35Å; S173-R176 PolarHBondContact O-N 2.86Å; S173-R176 PolarHBondContact O-NE 2.87Å |
| 174 | F | 86.4 | Confident | 89.3 | Confident | 127 Ų | 127 | 61.2 Ų | 61.2 | 56% | 0.557 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | 59.1 | 33.6 | -174.5 | -49.6 | -72.8 | 0 | 0 | 0 | 114.3 | H73 L77 R176 | H73-F174 PolarHBondContact ND1-N 3.46Å; H73-F174 VanDerWaalsContact ND1-N 3.14Å; L77-F174 HydrophobicContact CD1-CE2 3.64Å; L77-F174 HydrophobicContact CD1-CZ 4.1Å; F174-R176 PolarHBondContact O-N 2.89Å; F174-R176 VanDerWaalsContact O-N 3.1Å |
| 175 | D | 84.1 | Confident | 89.2 | Confident | 107 Ų | 107 | 60.8 Ų | 60.8 | 57% | 0.572 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | 56.1 | 28.9 | 179.9 | -58.8 | -40.4 | 0 | 0 | 0 | 113.1 | H73 L171 A172 S173 | H73-D175 IonicContact CE1-OD1 3.23Å; H73-D175 PolarHBondContact CE1-OD1 2.76Å; H73-D175 IonicContact CE1-OD2 3.27Å; L171-D175 HydrophobicContact CD1-CB 4.49Å; A172-D175 PolarHBondContact O-N 2.85Å; S173-D175 VanDerWaalsContact C-N 3.27Å; S173-D175 PolarHBondContact O-N 3.24Å |
| 176 | R | 87 | Confident | 89.1 | Confident | 128 Ų | 128 | 63.6 Ų | 63.6 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -69 | 136.8 | 172.2 | -71.9 | -177.9 | -73.6 | 167.1 | 4.3 | 108.5 | E80 L171 A172 S173 F174 K178 | E80-R176 IonicContact OE2-NH2 3.03Å; E80-R176 PolarHBondContact OE2-NH2 3.22Å; E80-R176 VanDerWaalsContact OE2-NH2 3.08Å; L171-R176 CarbonylContact C-O 3.54Å; L171-R176 WeakPolarHBondContact CA-O 3.3Å; A172-R176 HydrophobicContact CB-CB 4.01Å; A172-R176 WeakPolarHBondContact CB-O 3.35Å; A172-R176 PolarHBondContact N-O 2.83Å; S173-R176 WeakPolarHBondContact O-CB 3.49Å; S173-R176 WeakPolarHBondContact O-CG 3.35Å; S173-R176 PolarHBondContact O-N 2.86Å; S173-R176 PolarHBondContact O-NE 2.87Å; F174-R176 PolarHBondContact O-N 2.89Å; F174-R176 VanDerWaalsContact O-N 3.1Å; R176-K178 PolarHBondContact O-N 3.02Å |
| 177 | K | 87.1 | Confident | 89.1 | Confident | 91 Ų | 91 | 57.9 Ų | 57.9 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -61.5 | 124.4 | 174.6 | -71.9 | -177.3 | 171.6 | -164.8 | 0 | 109.9 | Y179 E206 | K177-Y179 HydrophobicContact CB-CE1 4.03Å; K177-Y179 WeakPolarHBondContact CB-OH 3.3Å; K177-Y179 HydrophobicContact CD-CE1 4.48Å; K177-E206 IonicContact NZ-OE1 3.9Å; K177-E206 PolarHBondContact NZ-OE1 2.88Å; K177-E206 IonicContact NZ-OE2 2.71Å; K177-E206 PolarHBondContact NZ-OE2 2.91Å |
| 178 | K | 88.7 | Confident | 89.2 | Confident | 100 Ų | 100 | 57.8 Ų | 57.8 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 149.1 | 168 | -171.3 | 174.6 | 178.9 | -179.8 | 0 | 108.3 | P170 A172 R176 | P170-K178 HydrophobicContact CB-CB 4.21Å; P170-K178 HydrophobicContact CG-CB 4.14Å; P170-K178 HydrophobicContact CG-CG 4.48Å; P170-K178 WeakPolarHBondContact O-CB 3.49Å; P170-K178 PolarHBondContact O-N 2.71Å; A172-K178 HydrophobicContact CB-CB 4.2Å; R176-K178 PolarHBondContact O-N 3.02Å |
| 179 | Y | 90.4 | Very high | 89.3 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | trans | -119.8 | 154.7 | 180 | -48.8 | -65.3 | 0 | 0 | 0 | 109.9 | K177 E206 K258 N260 | K177-Y179 HydrophobicContact CB-CE1 4.03Å; K177-Y179 WeakPolarHBondContact CB-OH 3.3Å; K177-Y179 HydrophobicContact CD-CE1 4.48Å; Y179-E206 HydrophobicContact CD1-CB 3.87Å; Y179-E206 HydrophobicContact CE1-CB 3.39Å; Y179-E206 HydrophobicContact CE1-CG 3.59Å; Y179-K258 HydrophobicContact CD2-CG 4.37Å; Y179-K258 HydrophobicContact CG-CB 4.28Å; Y179-K258 HydrophobicContact CG-CG 4.45Å; Y179-N260 WeakPolarHBondContact CD1-OD1 3.29Å; Y179-N260 WeakPolarHBondContact CE1-OD1 3.45Å | ||
| 180 | H | 89.6 | Confident | 89.6 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -91.2 | 129.6 | 166.3 | -62.6 | -83.1 | 0 | 0 | 0 | 109 | W105 W182 I259 | W105-H180 AromaticContact CZ2-NE2 3.95Å; H180-W182 HydrophobicContact CB-CZ2 4.26Å; H180-I259 HydrophobicContact CB-CB 4.35Å; H180-I259 PolarHBondContact N-O 2.9Å; H180-I259 PolarHBondContact O-N 3.06Å |
| 181 | D | 89.3 | Confident | 90 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 52% | 0.524 | 26% | 0.26 | S | S | . | . | trans | -98.4 | 113.9 | 173.7 | -175.9 | -1.8 | 0 | 0 | 0 | 108.5 | S183 | D181-S183 WeakPolarHBondContact OD1-CB 3.41Å; D181-S183 PolarHBondContact OD1-N 2.81Å; D181-S183 PolarHBondContact OD1-OG 3.24Å | ||
| 182 | W | 90.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | trans | -113.2 | 14.3 | 177.1 | -59.7 | -13.4 | 0 | 0 | 0 | 112.4 | L104 W105 H180 S184 F185 I203 F236 L256 I259 I262 V283 | L104-W182 HydrophobicContact CD1-CD2 4.4Å; L104-W182 VanDerWaalsContact CD1-CE2 3.46Å; L104-W182 HydrophobicContact CD1-CZ2 3.56Å; L104-W182 VanDerWaalsContact CD1-NE1 3.29Å; W105-W182 HydrophobicContact CH2-CH2 4.34Å; W105-W182 AromaticContact CH2-CZ2 3.84Å; W105-W182 HydrophobicContact CH2-CZ2 3.84Å; W105-W182 HydrophobicContact CZ3-CZ2 4.15Å; H180-W182 HydrophobicContact CB-CZ2 4.26Å; W182-S184 PolarHBondContact O-N 2.83Å; W182-F185 PolarHBondContact O-N 2.98Å; W182-I203 HydrophobicContact CZ3-CD1 4.2Å; W182-I203 HydrophobicContact CZ3-CG2 4.2Å; W182-F236 HydrophobicContact CD2-CZ 4.34Å; W182-F236 AromaticContact CE3-CE1 3.7Å; W182-F236 HydrophobicContact CE3-CE1 3.7Å; W182-F236 HydrophobicContact CE3-CE2 4.31Å; W182-F236 AromaticContact CE3-CZ 3.42Å; W182-F236 HydrophobicContact CE3-CZ 3.42Å; W182-F236 VanDerWaalsContact CE3-CZ 3.42Å; W182-F236 AromaticContact CZ3-CE1 3.88Å; W182-F236 HydrophobicContact CZ3-CE1 3.88Å; W182-F236 HydrophobicContact CZ3-CZ 4.02Å; W182-L256 HydrophobicContact CB-CB 4.23Å; W182-L256 HydrophobicContact CB-CD2 4.44Å; W182-L256 PolarHBondContact N-O 2.8Å; W182-I259 HydrophobicContact CB-CD1 4.26Å; W182-I259 HydrophobicContact CD2-CD1 3.45Å; W182-I259 VanDerWaalsContact CD2-CD1 3.45Å; W182-I259 HydrophobicContact CE3-CD1 3.02Å; W182-I259 HydrophobicContact CE3-CG1 4.34Å; W182-I259 HydrophobicContact CG-CD1 4.04Å; W182-I259 HydrophobicContact CH2-CB 4.26Å; W182-I259 HydrophobicContact CH2-CD1 3.94Å; W182-I259 HydrophobicContact CH2-CG2 3.49Å; W182-I259 VanDerWaalsContact CH2-CG2 3.49Å; W182-I259 HydrophobicContact CZ2-CB 4.29Å; W182-I259 HydrophobicContact CZ2-CD1 4.36Å; W182-I259 HydrophobicContact CZ2-CG2 3.81Å; W182-I259 HydrophobicContact CZ3-CB 4.5Å; W182-I259 HydrophobicContact CZ3-CD1 3.32Å; W182-I259 HydrophobicContact CZ3-CG1 4.42Å; W182-I259 HydrophobicContact CZ3-CG2 3.98Å; W182-I262 HydrophobicContact CH2-CD1 3.35Å; W182-I262 HydrophobicContact CH2-CG1 3.52Å; W182-I262 HydrophobicContact CZ2-CD1 4.06Å; W182-I262 HydrophobicContact CZ2-CG1 4.31Å; W182-I262 HydrophobicContact CZ3-CD1 4.1Å; W182-I262 HydrophobicContact CZ3-CG1 4.42Å; W182-V283 HydrophobicContact CD2-CG1 3.91Å; W182-V283 HydrophobicContact CE3-CG1 4.11Å; W182-V283 HydrophobicContact CG-CG1 4.19Å | ||
| 183 | S | 89 | Confident | 90.6 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -29.7 | -178 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | D181 F185 D257 | D181-S183 WeakPolarHBondContact OD1-CB 3.41Å; D181-S183 PolarHBondContact OD1-N 2.81Å; D181-S183 PolarHBondContact OD1-OG 3.24Å; S183-F185 VanDerWaalsContact C-N 3.31Å; S183-F185 PolarHBondContact O-N 2.86Å; S183-D257 WeakPolarHBondContact CB-OD1 3.33Å |
| 184 | S | 88.5 | Confident | 90.8 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -15.5 | 177.9 | -62.1 | 0 | 0 | 0 | 0 | 114.9 | W182 K285 | W182-S184 PolarHBondContact O-N 2.83Å; S184-K285 WeakPolarHBondContact O-CD 3.32Å; S184-K285 PolarHBondContact O-NZ 3.34Å |
| 185 | F | 91.3 | Very high | 91 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | trans | -118.1 | 148.5 | -169.5 | -55.2 | -76.5 | 0 | 0 | 0 | 112.6 | E99 Q102 W182 S183 F236 V283 K285 | E99-F185 WeakPolarHBondContact O-CE1 3.16Å; Q102-F185 HydrophobicContact CB-CE1 4.23Å; Q102-F185 HydrophobicContact CB-CE2 4.34Å; Q102-F185 HydrophobicContact CB-CZ 3.72Å; Q102-F185 VanDerWaalsContact OE1-CE2 3.29Å; W182-F185 PolarHBondContact O-N 2.98Å; S183-F185 VanDerWaalsContact C-N 3.31Å; S183-F185 PolarHBondContact O-N 2.86Å; F185-F236 HydrophobicContact CB-CE2 4.48Å; F185-V283 HydrophobicContact CB-CB 3.93Å; F185-V283 HydrophobicContact CB-CG2 4.25Å; F185-V283 HydrophobicContact CD1-CB 4.33Å; F185-V283 HydrophobicContact CD1-CG2 4.03Å; F185-V283 HydrophobicContact CD2-CB 4.03Å; F185-V283 HydrophobicContact CD2-CG2 3.39Å; F185-V283 HydrophobicContact CE1-CG2 4.22Å; F185-V283 HydrophobicContact CE2-CG2 3.6Å; F185-V283 HydrophobicContact CG-CB 3.85Å; F185-V283 HydrophobicContact CG-CG2 3.62Å; F185-V283 HydrophobicContact CZ-CG2 4.02Å; F185-K285 HydrophobicContact CD1-CB 4.2Å | ||
| 186 | N | 92.5 | Very high | 91.3 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | trans | -110.9 | -23.5 | -175 | -64.8 | 5.4 | 0 | 0 | 0 | 112.9 | F236 C284 | N186-F236 WeakPolarHBondContact O-CD2 3.46Å; N186-F236 PolarHBondContact O-N 3.12Å; N186-C284 PolarHBondContact N-O 3.26Å | ||
| 187 | T | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.7 | -172.3 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | I234 P235 V283 C284 D286 | T187-I234 CarbonylContact C-O 3.48Å; T187-I234 WeakPolarHBondContact CA-O 3.46Å; T187-P235 HydrophobicContact CG2-CB 4.33Å; T187-P235 HydrophobicContact CG2-CG 4.29Å; T187-V283 CarbonylContact O-C 3.6Å; T187-V283 WeakPolarHBondContact O-CA 3.2Å; T187-C284 PolarHBondContact N-O 3.2Å; T187-C284 PolarHBondContact O-N 3.38Å; T187-C284 WeakPolarHBondContact OG1-CB 3.09Å; T187-C284 PolarHBondContact OG1-O 2.91Å; T187-D286 HydrophobicContact CG2-CB 3.75Å |
| 188 | L | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 128.1 | 166.5 | -172.8 | 72 | 0 | 0 | 0 | 108.9 | L190 I201 K233 I234 F236 F239 I262 I281 G282 V283 | L188-L190 HydrophobicContact CD2-CD1 3.86Å; L188-L190 HydrophobicContact CD2-CD2 4.26Å; L188-L190 HydrophobicContact CD2-CG 4.09Å; L188-L190 HydrophobicContact CG-CD1 4.38Å; L188-L190 HydrophobicContact CG-CD2 4.26Å; L188-L190 HydrophobicContact CG-CG 4.08Å; L188-I201 HydrophobicContact CD2-CG2 4.05Å; L188-K233 CarbonylContact O-C 3.57Å; L188-K233 WeakPolarHBondContact O-CA 3.4Å; L188-I234 HydrophobicContact CB-CB 4.47Å; L188-I234 PolarHBondContact N-O 2.92Å; L188-I234 PolarHBondContact O-N 3.1Å; L188-F236 HydrophobicContact CB-CE1 3.92Å; L188-F236 HydrophobicContact CB-CZ 4.22Å; L188-F236 HydrophobicContact CD1-CE1 4.45Å; L188-F239 HydrophobicContact CD2-CZ 4.09Å; L188-I262 HydrophobicContact CD1-CD1 3.88Å; L188-I281 HydrophobicContact CD1-CG2 4.33Å; L188-G282 WeakPolarHBondContact CD1-O 3.19Å; L188-V283 HydrophobicContact CD1-CG1 4.27Å |
| 189 | H | 95.6 | Very high | 92.2 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.4 | 179.1 | -174.6 | -151.7 | 0 | 0 | 0 | 110.1 | F280 G282 C284 | H189-F280 AromaticContact CE1-CE2 3.87Å; H189-F280 AromaticContact CE1-CZ 3.64Å; H189-F280 AromaticContact ND1-CE2 3.66Å; H189-F280 AromaticContact ND1-CZ 3.92Å; H189-G282 PolarHBondContact N-O 3.25Å; H189-G282 CarbonylContact O-C 3.41Å; H189-G282 PolarHBondContact O-N 2.59Å; H189-G282 VanDerWaalsContact O-O 3.05Å; H189-C284 HydrophobicContact CB-CB 4.23Å |
| 190 | L | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.8 | -175.6 | -61.9 | 172.2 | 0 | 0 | 0 | 109.4 | L188 V192 I201 D231 V232 I234 F264 I281 | L188-L190 HydrophobicContact CD2-CD1 3.86Å; L188-L190 HydrophobicContact CD2-CD2 4.26Å; L188-L190 HydrophobicContact CD2-CG 4.09Å; L188-L190 HydrophobicContact CG-CD1 4.38Å; L188-L190 HydrophobicContact CG-CD2 4.26Å; L188-L190 HydrophobicContact CG-CG 4.08Å; L190-V192 HydrophobicContact CB-CG1 4.19Å; L190-I201 HydrophobicContact CD1-CD1 3.4Å; L190-I201 VanDerWaalsContact CD1-CD1 3.4Å; L190-I201 HydrophobicContact CD1-CG1 4.32Å; L190-D231 CarbonylContact O-C 3.51Å; L190-D231 WeakPolarHBondContact O-CA 3.07Å; L190-V232 PolarHBondContact N-O 2.88Å; L190-V232 PolarHBondContact O-N 2.8Å; L190-I234 HydrophobicContact CD1-CD1 4.09Å; L190-F264 HydrophobicContact CD1-CE1 4.26Å; L190-F264 HydrophobicContact CD2-CZ 4.15Å; L190-I281 HydrophobicContact CD2-CB 3.92Å; L190-I281 HydrophobicContact CD2-CG1 3.68Å; L190-I281 HydrophobicContact CD2-CG2 3.59Å |
| 191 | R | 94.4 | Very high | 92.7 | Very high | 85 Ų | 85 | 32.1 Ų | 32.1 | 32% | 0.321 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 109.5 | 167.4 | -176.3 | 165.2 | -170.8 | -144.7 | 12.1 | 109.5 | W229 D231 D279 F280 | R191-W229 HydrophobicContact CG-CE3 3.99Å; R191-D231 VanDerWaalsContact CB-OD1 3.3Å; R191-D231 WeakPolarHBondContact CB-OD1 3Å; R191-D231 WeakPolarHBondContact CD-OD1 3.44Å; R191-D231 WeakPolarHBondContact CG-OD1 3.29Å; R191-D231 IonicContact NE-OD1 3.76Å; R191-D279 HydrophobicContact CB-CB 4.11Å; R191-D279 WeakPolarHBondContact CD-OD2 3.35Å; R191-D279 HydrophobicContact CG-CB 3.97Å; R191-D279 IonicContact CZ-OD2 3.27Å; R191-D279 IonicContact NE-OD2 3.38Å; R191-D279 IonicContact NH1-OD2 3.54Å; R191-D279 PolarHBondContact NH1-OD2 3.4Å; R191-D279 PolarHBondContact O-N 2.85Å; R191-F280 HydrophobicContact CB-CD1 3.76Å; R191-F280 HydrophobicContact CB-CE1 3.4Å; R191-F280 HydrophobicContact CB-CE2 4.42Å; R191-F280 HydrophobicContact CB-CG 4.43Å; R191-F280 HydrophobicContact CB-CZ 3.75Å; R191-F280 HydrophobicContact CG-CE1 4.13Å; R191-F280 PolarHBondContact N-O 2.82Å |
| 192 | V | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.1 | -169.7 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | L190 L221 Q230 V232 L276 E277 I278 | L190-V192 HydrophobicContact CB-CG1 4.19Å; V192-L221 HydrophobicContact CG2-CD2 4.3Å; V192-Q230 PolarHBondContact N-O 3.02Å; V192-Q230 PolarHBondContact O-N 2.98Å; V192-V232 HydrophobicContact CG2-CG2 3.98Å; V192-L276 HydrophobicContact CB-CD1 4.47Å; V192-E277 CarbonylContact C-O 3.55Å; V192-E277 VanDerWaalsContact CA-O 3.29Å; V192-E277 WeakPolarHBondContact CA-O 3.1Å; V192-I278 HydrophobicContact CG1-CG1 4.15Å; V192-I278 HydrophobicContact CG1-CG2 4.35Å |
| 193 | R | 92.8 | Very high | 93.3 | Very high | 69 Ų | 69 | 28 Ų | 28 | 26% | 0.26 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 117 | 169.1 | 173.4 | 173.2 | 75.2 | 173.8 | 6.2 | 107.8 | P227 W229 E277 | R193-P227 WeakPolarHBondContact CD-O 3.4Å; R193-P227 PolarHBondContact NH1-O 2.74Å; R193-W229 HydrophobicContact CB-CD2 4.01Å; R193-W229 HydrophobicContact CB-CE3 3.7Å; R193-W229 HydrophobicContact CB-CH2 4.37Å; R193-W229 HydrophobicContact CB-CZ3 3.89Å; R193-E277 HydrophobicContact CB-CB 4.15Å; R193-E277 IonicContact CZ-OE1 3.81Å; R193-E277 IonicContact CZ-OE2 3.67Å; R193-E277 PolarHBondContact N-O 2.77Å; R193-E277 IonicContact NE-OE1 3.63Å; R193-E277 IonicContact NE-OE2 2.54Å; R193-E277 PolarHBondContact NE-OE2 2.69Å; R193-E277 IonicContact NH2-OE1 3.42Å; R193-E277 PolarHBondContact NH2-OE1 3.47Å; R193-E277 IonicContact NH2-OE2 2.76Å; R193-E277 PolarHBondContact NH2-OE2 2.75Å; R193-E277 PolarHBondContact O-N 2.81Å |
| 194 | G | 90.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 11% | 0.113 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 171.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | G225 G226 | G194-G225 WeakPolarHBondContact O-CA 3.47Å; G194-G226 PolarHBondContact O-N 3.02Å |
| 195 | D | 89.8 | Confident | 93.7 | Very high | 52 Ų | 52 | 24.7 Ų | 24.7 | 28% | 0.278 | 13% | 0.131 | S | C | . | . | trans | -86.2 | -2.4 | -177.7 | 54.4 | -1.8 | 0 | 0 | 0 | 114.7 | R197 F274 Q275 | D195-R197 WeakPolarHBondContact OD1-CB 3.42Å; D195-R197 WeakPolarHBondContact OD1-CG 3.28Å; D195-R197 PolarHBondContact OD1-N 2.87Å; D195-R197 VanDerWaalsContact OD1-N 3.16Å; D195-R197 WeakPolarHBondContact OD2-CD 3.5Å; D195-F274 WeakPolarHBondContact OD2-CA 3.26Å; D195-F274 WeakPolarHBondContact OD2-CB 3.29Å; D195-Q275 WeakPolarHBondContact CB-O 3.46Å; D195-Q275 VanDerWaalsContact CG-O 3.28Å; D195-Q275 PolarHBondContact N-O 3.41Å; D195-Q275 PolarHBondContact OD2-N 3.45Å | ||
| 196 | G | 90.9 | Very high | 93.5 | Very high | 40 Ų | 40 | 26.7 Ų | 26.7 | 41% | 0.412 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 99.5 | -1.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T223 | G196-T223 WeakPolarHBondContact CA-O 2.99Å; G196-T223 VanDerWaalsContact CA-OG1 3.27Å; G196-T223 WeakPolarHBondContact CA-OG1 3.2Å; G196-T223 PolarHBondContact N-OG1 2.68Å |
| 197 | R | 92.6 | Very high | 93.1 | Very high | 31 Ų | 31 | 24.7 Ų | 24.7 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 153.5 | -178.3 | -57.2 | -179.3 | 77.2 | 166.4 | -4.2 | 111.3 | D195 W199 T223 L266 D268 A270 G272 P273 | D195-R197 WeakPolarHBondContact OD1-CB 3.42Å; D195-R197 WeakPolarHBondContact OD1-CG 3.28Å; D195-R197 PolarHBondContact OD1-N 2.87Å; D195-R197 VanDerWaalsContact OD1-N 3.16Å; D195-R197 WeakPolarHBondContact OD2-CD 3.5Å; R197-W199 PolarHBondContact O-N 3.2Å; R197-T223 PolarHBondContact N-OG1 2.7Å; R197-T223 PolarHBondContact O-OG1 3.04Å; R197-L266 HydrophobicContact CB-CD1 4.18Å; R197-D268 IonicContact CZ-OD1 3.44Å; R197-D268 IonicContact CZ-OD2 3.74Å; R197-D268 VanDerWaalsContact CZ-OD2 3.31Å; R197-D268 IonicContact NE-OD2 2.68Å; R197-D268 PolarHBondContact NE-OD2 3.41Å; R197-D268 IonicContact NH2-OD1 3.92Å; R197-D268 PolarHBondContact NH2-OD1 3.27Å; R197-D268 IonicContact NH2-OD2 2.88Å; R197-D268 PolarHBondContact NH2-OD2 3.47Å; R197-A270 PolarHBondContact NH2-O 2.8Å; R197-G272 PolarHBondContact NH1-O 2.91Å; R197-P273 PolarHBondContact NH1-O 3.15Å; R197-P273 VanDerWaalsContact NH1-O 3.12Å |
| 198 | P | 93.8 | Very high | 92.4 | Very high | 46 Ų | 46 | 33.7 Ų | 33.7 | 30% | 0.299 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 117.1 | 173.6 | 30.8 | -31.6 | 0 | 0 | 0 | 110.1 | L221 Y222 L266 D268 | P198-L221 WeakPolarHBondContact CA-O 3.42Å; P198-Y222 HydrophobicContact CB-CD1 3.89Å; P198-Y222 HydrophobicContact CB-CE1 3.79Å; P198-L266 WeakPolarHBondContact O-CD1 3.43Å; P198-D268 HydrophobicContact CG-CB 3.85Å |
| 199 | W | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 144.6 | 173.9 | -76.6 | 83.3 | 0 | 0 | 0 | 110.2 | L143 R197 F220 L221 F264 L266 F274 L276 | L143-W199 HydrophobicContact CD2-CH2 3.48Å; L143-W199 VanDerWaalsContact CD2-CH2 3.48Å; L143-W199 HydrophobicContact CD2-CZ3 3.66Å; L143-W199 HydrophobicContact CG-CH2 4.36Å; R197-W199 PolarHBondContact O-N 3.2Å; W199-F220 CarbonylContact O-C 3.38Å; W199-L221 HydrophobicContact CB-CB 4.3Å; W199-L221 HydrophobicContact CB-CD2 4.39Å; W199-L221 PolarHBondContact N-O 3.5Å; W199-L221 WeakPolarHBondContact O-CA 3.26Å; W199-L221 WeakPolarHBondContact O-CB 3.27Å; W199-L221 PolarHBondContact O-N 3.2Å; W199-F264 HydrophobicContact CE3-CB 4.01Å; W199-F264 HydrophobicContact CZ3-CB 4.28Å; W199-L266 HydrophobicContact CD2-CB 4.3Å; W199-L266 HydrophobicContact CD2-CD1 4.28Å; W199-L266 HydrophobicContact CE3-CB 3.92Å; W199-L266 HydrophobicContact CH2-CB 3.82Å; W199-L266 HydrophobicContact CH2-CD2 4.28Å; W199-L266 HydrophobicContact CZ2-CB 4.19Å; W199-L266 HydrophobicContact CZ2-CD1 4.44Å; W199-L266 HydrophobicContact CZ2-CD2 4.09Å; W199-L266 HydrophobicContact CZ2-CG 4.48Å; W199-L266 HydrophobicContact CZ3-CB 3.68Å; W199-F274 AromaticContact CH2-CD2 3.69Å; W199-F274 HydrophobicContact CH2-CD2 3.69Å; W199-F274 AromaticContact CH2-CE2 3.82Å; W199-F274 HydrophobicContact CH2-CE2 3.82Å; W199-F274 HydrophobicContact CZ2-CB 4.48Å; W199-F274 AromaticContact CZ2-CD2 3.63Å; W199-F274 HydrophobicContact CZ2-CD2 3.63Å; W199-F274 HydrophobicContact CZ2-CE2 4.24Å; W199-F274 HydrophobicContact CZ2-CG 4.33Å; W199-L276 HydrophobicContact CD2-CB 4.47Å; W199-L276 HydrophobicContact CD2-CD2 3.75Å; W199-L276 HydrophobicContact CE3-CD2 3.88Å; W199-L276 HydrophobicContact CG-CD2 4.24Å; W199-L276 HydrophobicContact CH2-CB 4.14Å; W199-L276 HydrophobicContact CH2-CD2 4.31Å; W199-L276 HydrophobicContact CZ2-CB 3.58Å; W199-L276 HydrophobicContact CZ2-CD2 4.21Å; W199-L276 HydrophobicContact CZ2-CG 4.45Å; W199-L276 HydrophobicContact CZ3-CD2 4.15Å |
| 200 | M | 95.4 | Very high | 90.9 | Very high | 51 Ų | 51 | 45.7 Ų | 45.7 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.8 | 171.1 | -172.1 | -177.7 | -73.6 | 0 | 0 | 109.2 | N202 Y219 F220 F264 T265 | M200-N202 WeakPolarHBondContact CG-OD1 3.4Å; M200-N202 PolarHBondContact SD-OD1 3.44Å; M200-N202 VanDerWaalsContact SD-OD1 3.35Å; M200-Y219 CarbonylContact C-O 3.58Å; M200-Y219 WeakPolarHBondContact CA-O 3.49Å; M200-F220 HydrophobicContact CE-CD1 4.26Å; M200-F220 HydrophobicContact CE-CE1 3.37Å; M200-F220 HydrophobicContact CE-CZ 3.67Å; M200-F264 CarbonylContact O-C 3.42Å; M200-F264 WeakPolarHBondContact O-CA 3.38Å; M200-T265 WeakPolarHBondContact CB-O 3.39Å; M200-T265 PolarHBondContact N-O 2.88Å; M200-T265 PolarHBondContact O-N 2.91Å |
| 201 | I | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.4 | 169.8 | -60.3 | 161.7 | 0 | 0 | 0 | 107.2 | L188 L190 S218 Y219 L221 I234 F239 I262 G263 F264 | L188-I201 HydrophobicContact CD2-CG2 4.05Å; L190-I201 HydrophobicContact CD1-CD1 3.4Å; L190-I201 VanDerWaalsContact CD1-CD1 3.4Å; L190-I201 HydrophobicContact CD1-CG1 4.32Å; I201-S218 CarbonylContact O-C 3.42Å; I201-S218 VanDerWaalsContact O-CA 3.27Å; I201-S218 WeakPolarHBondContact O-CA 3.44Å; I201-Y219 HydrophobicContact CD1-CD1 4.49Å; I201-Y219 PolarHBondContact N-O 3.19Å; I201-Y219 PolarHBondContact O-N 3.12Å; I201-L221 HydrophobicContact CD1-CB 3.81Å; I201-L221 HydrophobicContact CD1-CD2 4.13Å; I201-L221 HydrophobicContact CD1-CG 4.39Å; I201-L221 HydrophobicContact CG1-CB 4.12Å; I201-L221 HydrophobicContact CG1-CD2 4.43Å; I201-I234 HydrophobicContact CD1-CD1 3.29Å; I201-F239 HydrophobicContact CB-CE1 4.39Å; I201-F239 HydrophobicContact CG2-CE1 4.07Å; I201-F239 HydrophobicContact CG2-CZ 4.36Å; I201-I262 HydrophobicContact CG2-CG2 4.22Å; I201-G263 CarbonylContact C-O 3.59Å; I201-G263 WeakPolarHBondContact CA-O 3.07Å; I201-F264 HydrophobicContact CD1-CE1 4.48Å; I201-F264 HydrophobicContact CG1-CD1 3.96Å; I201-F264 HydrophobicContact CG1-CE1 3.85Å |
| 202 | N | 95.9 | Very high | 89.6 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.059 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.4 | -177.6 | -70.3 | -37.4 | 0 | 0 | 0 | 109.8 | M200 Y217 S218 I262 G263 T265 | M200-N202 WeakPolarHBondContact CG-OD1 3.4Å; M200-N202 PolarHBondContact SD-OD1 3.44Å; M200-N202 VanDerWaalsContact SD-OD1 3.35Å; N202-Y217 CarbonylContact C-O 3.59Å; N202-Y217 WeakPolarHBondContact CA-O 3.24Å; N202-S218 WeakPolarHBondContact OD1-CB 3.42Å; N202-S218 PolarHBondContact OD1-OG 3.03Å; N202-I262 CarbonylContact O-C 3.6Å; N202-I262 VanDerWaalsContact O-CA 3.3Å; N202-I262 WeakPolarHBondContact O-CA 3.49Å; N202-G263 PolarHBondContact N-O 2.8Å; N202-G263 PolarHBondContact O-N 3.23Å; N202-T265 WeakPolarHBondContact ND2-CB 3.32Å; N202-T265 PolarHBondContact ND2-OG1 2.72Å |
| 203 | I | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.3 | 171.4 | -59.6 | 170.1 | 0 | 0 | 0 | 107.1 | W182 P205 Y217 F236 F239 V254 I259 I262 | W182-I203 HydrophobicContact CZ3-CD1 4.2Å; W182-I203 HydrophobicContact CZ3-CG2 4.2Å; I203-P205 WeakPolarHBondContact O-CD 3.43Å; I203-Y217 PolarHBondContact N-O 3.47Å; I203-Y217 PolarHBondContact O-N 2.84Å; I203-F236 HydrophobicContact CD1-CD1 4.01Å; I203-F236 HydrophobicContact CD1-CE1 3.86Å; I203-F239 HydrophobicContact CD1-CD1 3.91Å; I203-F239 HydrophobicContact CD1-CD2 4.48Å; I203-F239 HydrophobicContact CD1-CE1 3.48Å; I203-F239 VanDerWaalsContact CD1-CE1 3.48Å; I203-F239 HydrophobicContact CD1-CE2 4.08Å; I203-F239 HydrophobicContact CD1-CG 4.39Å; I203-F239 HydrophobicContact CD1-CZ 3.57Å; I203-F239 HydrophobicContact CG1-CD1 4.4Å; I203-F239 HydrophobicContact CG1-CE1 3.93Å; I203-F239 HydrophobicContact CG1-CZ 4.4Å; I203-V254 HydrophobicContact CG2-CG1 4.44Å; I203-I259 HydrophobicContact CG2-CD1 4.16Å; I203-I259 HydrophobicContact CG2-CG1 4.37Å; I203-I259 HydrophobicContact CG2-CG2 3.79Å; I203-I262 HydrophobicContact CG1-CG1 4.41Å |
| 204 | V | 93.8 | Very high | 88.7 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 107.8 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | M216 N260 S261 | V204-M216 HydrophobicContact CG2-CB 4.21Å; V204-N260 WeakPolarHBondContact O-CA 3.35Å; V204-N260 VanDerWaalsContact O-CB 3.24Å; V204-N260 WeakPolarHBondContact O-CB 3.43Å; V204-N260 PolarHBondContact O-N 3.45Å; V204-S261 PolarHBondContact N-O 3.11Å; V204-S261 PolarHBondContact O-N 3.36Å |
| 205 | P | 92.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 163.5 | 168.4 | 29.4 | -27 | 0 | 0 | 0 | 111.4 | I203 Y217 W255 K258 | I203-P205 WeakPolarHBondContact O-CD 3.43Å; P205-Y217 HydrophobicContact CG-CD2 3.66Å; P205-Y217 HydrophobicContact CG-CE2 3.56Å; P205-W255 HydrophobicContact CB-CB 4.41Å; P205-K258 CarbonylContact C-O 3.6Å; P205-K258 VanDerWaalsContact CA-O 3.3Å; P205-K258 WeakPolarHBondContact CA-O 3.31Å |
| 206 | E | 88.6 | Confident | 88.9 | Confident | 46 Ų | 46 | 57 Ų | 57 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 116.2 | 167.5 | -175.2 | 78.7 | -179.2 | 0 | 0 | 109.2 | K177 Y179 K258 N260 | K177-E206 IonicContact NZ-OE1 3.9Å; K177-E206 PolarHBondContact NZ-OE1 2.88Å; K177-E206 IonicContact NZ-OE2 2.71Å; K177-E206 PolarHBondContact NZ-OE2 2.91Å; Y179-E206 HydrophobicContact CD1-CB 3.87Å; Y179-E206 HydrophobicContact CE1-CB 3.39Å; Y179-E206 HydrophobicContact CE1-CG 3.59Å; E206-K258 HydrophobicContact CB-CB 4.42Å; E206-K258 PolarHBondContact N-O 2.97Å; E206-N260 WeakPolarHBondContact CA-ND2 3.32Å; E206-N260 PolarHBondContact N-ND2 3.06Å; E206-N260 PolarHBondContact OE2-ND2 3.43Å; E206-N260 PolarHBondContact OE2-OD1 3.13Å |
| 207 | T | 82.8 | Confident | 89.1 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -90 | 142.7 | 174.5 | -46 | 0 | 0 | 0 | 0 | 111.8 | Q212 W255 | T207-Q212 WeakPolarHBondContact CB-O 3.35Å; T207-Q212 HydrophobicContact CG2-CB 3.27Å; T207-Q212 HydrophobicContact CG2-CG 4.11Å; T207-Q212 PolarHBondContact OG1-O 3.28Å; T207-W255 HydrophobicContact CG2-CH2 3.87Å; T207-W255 HydrophobicContact CG2-CZ3 3.67Å |
| 208 | Y | 79.8 | Confident | 89.3 | Confident | 191 Ų | 191 | 54.1 Ų | 54.1 | 75% | 0.749 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -66.9 | -38.6 | 178.3 | -177.1 | -101.8 | 0 | 0 | 0 | 112.4 | ||
| 209 | Y | 79.6 | Confident | 89.3 | Confident | 143 Ų | 143 | 55 Ų | 55 | 56% | 0.561 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -89.2 | 136.1 | -176.8 | -61.3 | -75.7 | 0 | 0 | 0 | 112 | H211 Q212 | Y209-H211 PolarHBondContact O-N 3.18Å; Y209-Q212 VanDerWaalsContact CD2-OE1 3.29Å; Y209-Q212 PolarHBondContact O-N 3.11Å; Y209-Q212 VanDerWaalsContact O-N 3.1Å |
| 210 | I | 79.8 | Confident | 89.4 | Confident | 143 Ų | 143 | 59 Ų | 59 | 73% | 0.733 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -61.3 | -34 | -179 | -60.6 | 171.1 | 0 | 0 | 0 | 111.8 | Q212 K213 | I210-Q212 PolarHBondContact O-N 3.04Å; I210-K213 VanDerWaalsContact O-CB 3.23Å; I210-K213 WeakPolarHBondContact O-CB 3.35Å; I210-K213 PolarHBondContact O-N 2.85Å |
| 211 | H | 81 | Confident | 89.3 | Confident | 164 Ų | 164 | 56.8 Ų | 56.8 | 76% | 0.759 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -66.4 | -27.1 | -179.9 | -53.8 | -61.6 | 0 | 0 | 0 | 112.8 | Y209 H243 | Y209-H211 PolarHBondContact O-N 3.18Å; H211-H243 PolarHBondContact O-NE2 2.85Å |
| 212 | Q | 82.3 | Confident | 89.1 | Confident | 67 Ų | 67 | 64.2 Ų | 64.2 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -95.5 | 13.1 | -179.7 | -73 | 178.3 | -36 | 0 | 0 | 112.7 | T207 Y209 I210 D214 D215 | T207-Q212 WeakPolarHBondContact CB-O 3.35Å; T207-Q212 HydrophobicContact CG2-CB 3.27Å; T207-Q212 HydrophobicContact CG2-CG 4.11Å; T207-Q212 PolarHBondContact OG1-O 3.28Å; Y209-Q212 VanDerWaalsContact CD2-OE1 3.29Å; Y209-Q212 PolarHBondContact O-N 3.11Å; Y209-Q212 VanDerWaalsContact O-N 3.1Å; I210-Q212 PolarHBondContact O-N 3.04Å; Q212-D214 PolarHBondContact O-N 3.08Å; Q212-D215 WeakPolarHBondContact CB-OD2 3.39Å; Q212-D215 VanDerWaalsContact CG-OD2 3.29Å; Q212-D215 WeakPolarHBondContact CG-OD2 3.43Å; Q212-D215 VanDerWaalsContact O-CB 3.26Å; Q212-D215 WeakPolarHBondContact O-CB 3.4Å; Q212-D215 VanDerWaalsContact O-CG 3.29Å; Q212-D215 PolarHBondContact O-N 3.43Å; Q212-D215 VanDerWaalsContact O-N 3.12Å |
| 213 | K | 81.4 | Confident | 88.9 | Confident | 103 Ų | 103 | 64.1 Ų | 64.1 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.8 | -179.8 | -176.3 | 179.5 | 179.1 | -178.2 | 0 | 113.2 | I210 | I210-K213 VanDerWaalsContact O-CB 3.23Å; I210-K213 WeakPolarHBondContact O-CB 3.35Å; I210-K213 PolarHBondContact O-N 2.85Å |
| 214 | D | 86.6 | Confident | 88.4 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 35% | 0.353 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 14.9 | -178.9 | -54.5 | -41.3 | 0 | 0 | 0 | 112.4 | Q212 R244 | Q212-D214 PolarHBondContact O-N 3.08Å; D214-R244 HydrophobicContact CB-CG 3.81Å; D214-R244 IonicContact OD2-CZ 3.72Å; D214-R244 VanDerWaalsContact OD2-CZ 3.27Å; D214-R244 IonicContact OD2-NE 3.12Å; D214-R244 PolarHBondContact OD2-NE 2.85Å; D214-R244 IonicContact OD2-NH2 2.6Å; D214-R244 PolarHBondContact OD2-NH2 3.15Å |
| 215 | D | 91.5 | Very high | 87.9 | Confident | 16 Ų | 16 | 75 Ų | 75 | 9% | 0.086 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 131.8 | 173.9 | -73.2 | 3.6 | 0 | 0 | 0 | 109.5 | Q212 L241 H243 | Q212-D215 WeakPolarHBondContact CB-OD2 3.39Å; Q212-D215 VanDerWaalsContact CG-OD2 3.29Å; Q212-D215 WeakPolarHBondContact CG-OD2 3.43Å; Q212-D215 VanDerWaalsContact O-CB 3.26Å; Q212-D215 WeakPolarHBondContact O-CB 3.4Å; Q212-D215 VanDerWaalsContact O-CG 3.29Å; Q212-D215 PolarHBondContact O-N 3.43Å; Q212-D215 VanDerWaalsContact O-N 3.12Å; D215-L241 HydrophobicContact CB-CD1 3.94Å; D215-H243 IonicContact OD1-CD2 3.15Å; D215-H243 PolarHBondContact OD1-CD2 3.44Å; D215-H243 IonicContact OD1-CG 3.63Å; D215-H243 IonicContact OD1-NE2 2.79Å |
| 216 | M | 93.6 | Very high | 87.5 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 19% | 0.192 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 146.5 | 174.6 | 67.4 | -173.7 | 73.6 | 0 | 0 | 110.1 | V204 A242 | V204-M216 HydrophobicContact CG2-CB 4.21Å; M216-A242 HydrophobicContact CG-CB 4.22Å; M216-A242 WeakPolarHBondContact CG-O 3.26Å; M216-A242 PolarHBondContact N-O 3.23Å; M216-A242 PolarHBondContact O-N 3.43Å; M216-A242 VanDerWaalsContact O-O 3.05Å |
| 217 | Y | 95 | Very high | 87.4 | Confident | 9 Ų | 9 | 78.8 Ų | 78.8 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.8 | 173.9 | -73.8 | -82.7 | 0 | 0 | 0 | 108.6 | N202 I203 P205 F239 F240 L241 H252 P253 V254 | N202-Y217 CarbonylContact C-O 3.59Å; N202-Y217 WeakPolarHBondContact CA-O 3.24Å; I203-Y217 PolarHBondContact N-O 3.47Å; I203-Y217 PolarHBondContact O-N 2.84Å; P205-Y217 HydrophobicContact CG-CD2 3.66Å; P205-Y217 HydrophobicContact CG-CE2 3.56Å; Y217-F239 HydrophobicContact CD1-CB 4.48Å; Y217-F240 CarbonylContact C-O 3.59Å; Y217-F240 WeakPolarHBondContact CA-O 3.44Å; Y217-L241 HydrophobicContact CD1-CB 4.3Å; Y217-L241 HydrophobicContact CD1-CD1 4.46Å; Y217-L241 HydrophobicContact CE1-CB 3.91Å; Y217-L241 HydrophobicContact CE1-CD1 4.03Å; Y217-L241 HydrophobicContact CE2-CD1 4.09Å; Y217-H252 VanDerWaalsContact CE1-O 3.25Å; Y217-H252 WeakPolarHBondContact CE1-O 3.07Å; Y217-P253 PolarHBondContact OH-O 3.44Å; Y217-V254 HydrophobicContact CD1-CB 4.43Å; Y217-V254 HydrophobicContact CD1-CG2 3.63Å; Y217-V254 HydrophobicContact CD2-CB 4.47Å; Y217-V254 HydrophobicContact CD2-CG1 4.05Å; Y217-V254 HydrophobicContact CD2-CG2 4.31Å; Y217-V254 HydrophobicContact CE1-CG2 4.11Å; Y217-V254 HydrophobicContact CE2-CG1 4.42Å; Y217-V254 HydrophobicContact CG-CB 4.35Å; Y217-V254 HydrophobicContact CG-CG1 4.22Å; Y217-V254 HydrophobicContact CG-CG2 3.72Å |
| 218 | S | 95.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 87.3 Ų | 87.3 | 1% | 0.007 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 147.6 | -172.5 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | I201 N202 F240 | I201-S218 CarbonylContact O-C 3.42Å; I201-S218 VanDerWaalsContact O-CA 3.27Å; I201-S218 WeakPolarHBondContact O-CA 3.44Å; N202-S218 WeakPolarHBondContact OD1-CB 3.42Å; N202-S218 PolarHBondContact OD1-OG 3.03Å; S218-F240 PolarHBondContact N-O 2.88Å; S218-F240 WeakPolarHBondContact O-CD1 3.46Å; S218-F240 VanDerWaalsContact O-CE1 3.25Å; S218-F240 WeakPolarHBondContact O-CE1 3.34Å; S218-F240 PolarHBondContact O-N 3.1Å |
| 219 | Y | 95.7 | Very high | 88.4 | Confident | 65 Ų | 65 | 82.4 Ų | 82.4 | 26% | 0.255 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.5 | 171.2 | -178.5 | -93.4 | 0 | 0 | 0 | 110.4 | M200 I201 I234 K238 F239 | M200-Y219 CarbonylContact C-O 3.58Å; M200-Y219 WeakPolarHBondContact CA-O 3.49Å; I201-Y219 HydrophobicContact CD1-CD1 4.49Å; I201-Y219 PolarHBondContact N-O 3.19Å; I201-Y219 PolarHBondContact O-N 3.12Å; Y219-I234 HydrophobicContact CD1-CD1 3.7Å; Y219-I234 HydrophobicContact CD1-CG1 4.33Å; Y219-I234 HydrophobicContact CD1-CG2 3.7Å; Y219-I234 HydrophobicContact CD2-CG2 3.95Å; Y219-I234 HydrophobicContact CE1-CD1 3.76Å; Y219-I234 HydrophobicContact CE1-CG1 4.03Å; Y219-I234 HydrophobicContact CE1-CG2 3.73Å; Y219-I234 HydrophobicContact CE2-CG2 3.98Å; Y219-I234 HydrophobicContact CG-CG2 3.8Å; Y219-K238 HydrophobicContact CD2-CB 4.17Å; Y219-K238 HydrophobicContact CE2-CB 3.97Å; Y219-F239 VanDerWaalsContact CB-CE1 3.46Å |
| 220 | F | 94.7 | Very high | 89.1 | Confident | 83 Ų | 83 | 77.2 Ų | 77.2 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 113.8 | 178.1 | -64.6 | -74 | 0 | 0 | 0 | 111.3 | W199 M200 Y222 F240 | W199-F220 CarbonylContact O-C 3.38Å; M200-F220 HydrophobicContact CE-CD1 4.26Å; M200-F220 HydrophobicContact CE-CE1 3.37Å; M200-F220 HydrophobicContact CE-CZ 3.67Å; F220-Y222 HydrophobicContact CB-CE2 3.93Å; F220-F240 AromaticContact CD2-CE1 3.88Å; F220-F240 HydrophobicContact CD2-CE1 3.88Å; F220-F240 HydrophobicContact CD2-CZ 4.16Å; F220-F240 AromaticContact CE2-CE1 3.66Å; F220-F240 HydrophobicContact CE2-CE1 3.66Å; F220-F240 AromaticContact CE2-CZ 3.52Å; F220-F240 HydrophobicContact CE2-CZ 3.52Å; F220-F240 HydrophobicContact CZ-CZ 4.01Å |
| 221 | L | 94.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114.6 | 172.2 | 174.8 | 67.3 | 0 | 0 | 0 | 110.1 | V192 P198 W199 I201 T223 V232 | V192-L221 HydrophobicContact CG2-CD2 4.3Å; P198-L221 WeakPolarHBondContact CA-O 3.42Å; W199-L221 HydrophobicContact CB-CB 4.3Å; W199-L221 HydrophobicContact CB-CD2 4.39Å; W199-L221 PolarHBondContact N-O 3.5Å; W199-L221 WeakPolarHBondContact O-CA 3.26Å; W199-L221 WeakPolarHBondContact O-CB 3.27Å; W199-L221 PolarHBondContact O-N 3.2Å; I201-L221 HydrophobicContact CD1-CB 3.81Å; I201-L221 HydrophobicContact CD1-CD2 4.13Å; I201-L221 HydrophobicContact CD1-CG 4.39Å; I201-L221 HydrophobicContact CG1-CB 4.12Å; I201-L221 HydrophobicContact CG1-CD2 4.43Å; L221-T223 HydrophobicContact CD2-CG2 4.36Å; L221-T223 HydrophobicContact CG-CG2 4.33Å; L221-V232 HydrophobicContact CD1-CB 4.27Å; L221-V232 HydrophobicContact CD1-CG1 3.83Å; L221-V232 HydrophobicContact CD1-CG2 3.96Å |
| 222 | Y | 92.8 | Very high | 90.4 | Very high | 157 Ų | 157 | 68.1 Ų | 68.1 | 62% | 0.616 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 114 | 171.9 | -60.9 | -82.1 | 0 | 0 | 0 | 109.9 | P198 F220 | P198-Y222 HydrophobicContact CB-CD1 3.89Å; P198-Y222 HydrophobicContact CB-CE1 3.79Å; F220-Y222 HydrophobicContact CB-CE2 3.93Å |
| 223 | T | 90.6 | Very high | 91 | Very high | 9 Ų | 9 | 70.6 Ų | 70.6 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | trans | -84.5 | 143.3 | 174.9 | 64 | 0 | 0 | 0 | 0 | 109.3 | G196 R197 L221 G225 L276 | G196-T223 WeakPolarHBondContact CA-O 2.99Å; G196-T223 VanDerWaalsContact CA-OG1 3.27Å; G196-T223 WeakPolarHBondContact CA-OG1 3.2Å; G196-T223 PolarHBondContact N-OG1 2.68Å; R197-T223 PolarHBondContact N-OG1 2.7Å; R197-T223 PolarHBondContact O-OG1 3.04Å; L221-T223 HydrophobicContact CD2-CG2 4.36Å; L221-T223 HydrophobicContact CG-CG2 4.33Å; T223-G225 VanDerWaalsContact C-N 3.28Å; T223-G225 PolarHBondContact O-N 2.88Å; T223-L276 HydrophobicContact CG2-CD1 4.25Å | ||
| 224 | R | 85.8 | Confident | 91.7 | Very high | 212 Ų | 212 | 65.8 Ų | 65.8 | 80% | 0.8 | 31% | 0.313 | S | S | * | . | trans | -74.5 | -16.9 | -177 | -71.1 | -168.4 | 175.2 | 120.2 | -0.8 | 114.4 | ||||
| 225 | G | 82.3 | Confident | 92.1 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 39% | 0.392 | 30% | 0.301 | S | S | . | . | trans | 71.6 | 120.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G194 T223 | G194-G225 WeakPolarHBondContact O-CA 3.47Å; T223-G225 VanDerWaalsContact C-N 3.28Å; T223-G225 PolarHBondContact O-N 2.88Å | ||
| 226 | G | 83.9 | Confident | 92.2 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 143.5 | -178.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G194 Y228 | G194-G226 PolarHBondContact O-N 3.02Å; G226-Y228 PolarHBondContact O-N 2.99Å |
| 227 | P | 86.9 | Confident | 92.2 | Very high | 90 Ų | 90 | 61.5 Ų | 61.5 | 58% | 0.584 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -77 | -9.9 | -174.4 | 31.5 | -35.8 | 0 | 0 | 0 | 113.8 | R193 | R193-P227 WeakPolarHBondContact CD-O 3.4Å; R193-P227 PolarHBondContact NH1-O 2.74Å |
| 228 | Y | 90.8 | Very high | 92.1 | Very high | 195 Ų | 195 | 65.1 Ų | 65.1 | 77% | 0.765 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -88.5 | 144.5 | -170.7 | -57 | -66 | 0 | 0 | 0 | 112.9 | G226 | G226-Y228 PolarHBondContact O-N 2.99Š|
| 229 | W | 92.7 | Very high | 92.1 | Very high | 87 Ų | 87 | 65 Ų | 65 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | trans | -73.8 | 142.5 | 170 | -69.4 | 99.3 | 0 | 0 | 0 | 110.8 | R191 R193 E277 D279 | R191-W229 HydrophobicContact CG-CE3 3.99Å; R193-W229 HydrophobicContact CB-CD2 4.01Å; R193-W229 HydrophobicContact CB-CE3 3.7Å; R193-W229 HydrophobicContact CB-CH2 4.37Å; R193-W229 HydrophobicContact CB-CZ3 3.89Å; W229-E277 HydrophobicContact CH2-CB 3.95Å; W229-E277 HydrophobicContact CZ3-CB 4.31Å; W229-D279 HydrophobicContact CE3-CB 4.25Å; W229-D279 HydrophobicContact CH2-CB 3.96Å; W229-D279 HydrophobicContact CZ3-CB 3.71Å | ||
| 230 | Q | 93.9 | Very high | 92 | Very high | 35 Ų | 35 | 62.9 Ų | 62.9 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.3 | 177.5 | -176.8 | -177.7 | -7.3 | 0 | 0 | 109.1 | V192 V232 | V192-Q230 PolarHBondContact N-O 3.02Å; V192-Q230 PolarHBondContact O-N 2.98Å; Q230-V232 HydrophobicContact CG-CG2 3.74Å |
| 231 | D | 94.4 | Very high | 92 | Very high | 96 Ų | 96 | 59.3 Ų | 59.3 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 125.3 | 168.3 | -63.4 | -44.7 | 0 | 0 | 0 | 109.1 | L190 R191 | L190-D231 CarbonylContact O-C 3.51Å; L190-D231 WeakPolarHBondContact O-CA 3.07Å; R191-D231 VanDerWaalsContact CB-OD1 3.3Å; R191-D231 WeakPolarHBondContact CB-OD1 3Å; R191-D231 WeakPolarHBondContact CD-OD1 3.44Å; R191-D231 WeakPolarHBondContact CG-OD1 3.29Å; R191-D231 IonicContact NE-OD1 3.76Å |
| 232 | V | 94.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 122.7 | -176.3 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | L190 V192 L221 Q230 I234 | L190-V232 PolarHBondContact N-O 2.88Å; L190-V232 PolarHBondContact O-N 2.8Å; V192-V232 HydrophobicContact CG2-CG2 3.98Å; L221-V232 HydrophobicContact CD1-CB 4.27Å; L221-V232 HydrophobicContact CD1-CG1 3.83Å; L221-V232 HydrophobicContact CD1-CG2 3.96Å; Q230-V232 HydrophobicContact CG-CG2 3.74Å; V232-I234 HydrophobicContact CG1-CD1 3.95Å; V232-I234 HydrophobicContact CG1-CG1 3.67Å |
| 233 | K | 94.6 | Very high | 91.8 | Very high | 120 Ų | 120 | 53.9 Ų | 53.9 | 52% | 0.522 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.2 | 172.9 | -64.4 | -176.3 | -179.2 | -174.1 | 0 | 108.9 | L188 | L188-K233 CarbonylContact O-C 3.57Å; L188-K233 WeakPolarHBondContact O-CA 3.4Å |
| 234 | I | 95 | Very high | 91.7 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 111.2 | -174.8 | -51.3 | 170.6 | 0 | 0 | 0 | 107.9 | T187 L188 L190 I201 Y219 V232 F239 | T187-I234 CarbonylContact C-O 3.48Å; T187-I234 WeakPolarHBondContact CA-O 3.46Å; L188-I234 HydrophobicContact CB-CB 4.47Å; L188-I234 PolarHBondContact N-O 2.92Å; L188-I234 PolarHBondContact O-N 3.1Å; L190-I234 HydrophobicContact CD1-CD1 4.09Å; I201-I234 HydrophobicContact CD1-CD1 3.29Å; Y219-I234 HydrophobicContact CD1-CD1 3.7Å; Y219-I234 HydrophobicContact CD1-CG1 4.33Å; Y219-I234 HydrophobicContact CD1-CG2 3.7Å; Y219-I234 HydrophobicContact CD2-CG2 3.95Å; Y219-I234 HydrophobicContact CE1-CD1 3.76Å; Y219-I234 HydrophobicContact CE1-CG1 4.03Å; Y219-I234 HydrophobicContact CE1-CG2 3.73Å; Y219-I234 HydrophobicContact CE2-CG2 3.98Å; Y219-I234 HydrophobicContact CG-CG2 3.8Å; V232-I234 HydrophobicContact CG1-CD1 3.95Å; V232-I234 HydrophobicContact CG1-CG1 3.67Å; I234-F239 HydrophobicContact CB-CE2 4.3Å; I234-F239 HydrophobicContact CG2-CD2 4.34Å; I234-F239 HydrophobicContact CG2-CE2 3.54Å; I234-F239 HydrophobicContact CG2-CZ 3.98Å |
| 235 | P | 95.1 | Very high | 91.6 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 139.7 | 173.2 | -20.9 | 31.2 | 0 | 0 | 0 | 112.3 | T187 S237 K238 | T187-P235 HydrophobicContact CG2-CB 4.33Å; T187-P235 HydrophobicContact CG2-CG 4.29Å; P235-S237 PolarHBondContact O-N 3.44Å; P235-K238 HydrophobicContact CB-CG 4.44Å; P235-K238 HydrophobicContact CG-CD 4.37Å; P235-K238 PolarHBondContact O-N 3.14Å; P235-K238 VanDerWaalsContact O-N 3.16Å |
| 236 | F | 94.5 | Very high | 92 | Very high | 11 Ų | 11 | 62.7 Ų | 62.7 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -62.8 | -25.8 | 176.6 | -66.2 | -56.5 | 0 | 0 | 0 | 112.7 | W182 F185 N186 L188 I203 K238 F239 L256 V283 | W182-F236 HydrophobicContact CD2-CZ 4.34Å; W182-F236 AromaticContact CE3-CE1 3.7Å; W182-F236 HydrophobicContact CE3-CE1 3.7Å; W182-F236 HydrophobicContact CE3-CE2 4.31Å; W182-F236 AromaticContact CE3-CZ 3.42Å; W182-F236 HydrophobicContact CE3-CZ 3.42Å; W182-F236 VanDerWaalsContact CE3-CZ 3.42Å; W182-F236 AromaticContact CZ3-CE1 3.88Å; W182-F236 HydrophobicContact CZ3-CE1 3.88Å; W182-F236 HydrophobicContact CZ3-CZ 4.02Å; F185-F236 HydrophobicContact CB-CE2 4.48Å; N186-F236 WeakPolarHBondContact O-CD2 3.46Å; N186-F236 PolarHBondContact O-N 3.12Å; L188-F236 HydrophobicContact CB-CE1 3.92Å; L188-F236 HydrophobicContact CB-CZ 4.22Å; L188-F236 HydrophobicContact CD1-CE1 4.45Å; I203-F236 HydrophobicContact CD1-CD1 4.01Å; I203-F236 HydrophobicContact CD1-CE1 3.86Å; F236-K238 PolarHBondContact O-N 3.44Å; F236-F239 HydrophobicContact CD1-CD2 4.36Å; F236-F239 HydrophobicContact CD1-CE2 4.12Å; F236-F239 PolarHBondContact O-N 3.12Å; F236-L256 HydrophobicContact CB-CD2 4.11Å; F236-L256 HydrophobicContact CD1-CD2 4.11Å; F236-L256 HydrophobicContact CD2-CD1 4.1Å; F236-L256 HydrophobicContact CD2-CD2 3.55Å; F236-L256 HydrophobicContact CE1-CD2 4.44Å; F236-L256 HydrophobicContact CE2-CD2 3.95Å; F236-L256 HydrophobicContact CG-CD2 3.66Å; F236-L256 HydrophobicContact CZ-CD2 4.38Å; F236-V283 HydrophobicContact CZ-CG1 3.96Å |
| 237 | S | 93.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -61.5 | -21.4 | 176.1 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | P235 H289 E291 D292 A294 | P235-S237 PolarHBondContact O-N 3.44Å; S237-H289 PolarHBondContact OG-CE1 3.18Å; S237-H289 PolarHBondContact OG-NE2 2.78Å; S237-E291 WeakPolarHBondContact CB-O 3.04Å; S237-D292 WeakPolarHBondContact CB-O 3.44Å; S237-A294 WeakPolarHBondContact O-CB 3.02Å; S237-A294 PolarHBondContact O-N 3.23Å; S237-A294 VanDerWaalsContact O-N 3.16Å |
| 238 | K | 93.8 | Very high | 92.5 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 37% | 0.365 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -90.4 | -8.1 | -178.4 | -64.7 | -170.5 | 178.4 | 177.8 | 0 | 113.8 | Y219 P235 F236 Y295 | Y219-K238 HydrophobicContact CD2-CB 4.17Å; Y219-K238 HydrophobicContact CE2-CB 3.97Å; P235-K238 HydrophobicContact CB-CG 4.44Å; P235-K238 HydrophobicContact CG-CD 4.37Å; P235-K238 PolarHBondContact O-N 3.14Å; P235-K238 VanDerWaalsContact O-N 3.16Å; F236-K238 PolarHBondContact O-N 3.44Å; K238-Y295 PolarHBondContact O-OH 3.05Å |
| 239 | F | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 135.2 | 177.4 | -75.2 | -102.9 | 0 | 0 | 0 | 110.5 | L188 I201 I203 Y217 Y219 I234 F236 V254 Y295 | L188-F239 HydrophobicContact CD2-CZ 4.09Å; I201-F239 HydrophobicContact CB-CE1 4.39Å; I201-F239 HydrophobicContact CG2-CE1 4.07Å; I201-F239 HydrophobicContact CG2-CZ 4.36Å; I203-F239 HydrophobicContact CD1-CD1 3.91Å; I203-F239 HydrophobicContact CD1-CD2 4.48Å; I203-F239 HydrophobicContact CD1-CE1 3.48Å; I203-F239 VanDerWaalsContact CD1-CE1 3.48Å; I203-F239 HydrophobicContact CD1-CE2 4.08Å; I203-F239 HydrophobicContact CD1-CG 4.39Å; I203-F239 HydrophobicContact CD1-CZ 3.57Å; I203-F239 HydrophobicContact CG1-CD1 4.4Å; I203-F239 HydrophobicContact CG1-CE1 3.93Å; I203-F239 HydrophobicContact CG1-CZ 4.4Å; Y217-F239 HydrophobicContact CD1-CB 4.48Å; Y219-F239 VanDerWaalsContact CB-CE1 3.46Å; I234-F239 HydrophobicContact CB-CE2 4.3Å; I234-F239 HydrophobicContact CG2-CD2 4.34Å; I234-F239 HydrophobicContact CG2-CE2 3.54Å; I234-F239 HydrophobicContact CG2-CZ 3.98Å; F236-F239 HydrophobicContact CD1-CD2 4.36Å; F236-F239 HydrophobicContact CD1-CE2 4.12Å; F236-F239 PolarHBondContact O-N 3.12Å; F239-V254 HydrophobicContact CB-CG2 3.9Å; F239-Y295 WeakPolarHBondContact O-CE2 3.43Å |
| 240 | F | 94.1 | Very high | 92.1 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 146.5 | 175.6 | 59.7 | -91.4 | 0 | 0 | 0 | 110.9 | Y217 S218 F220 A242 I247 Y295 | Y217-F240 CarbonylContact C-O 3.59Å; Y217-F240 WeakPolarHBondContact CA-O 3.44Å; S218-F240 PolarHBondContact N-O 2.88Å; S218-F240 WeakPolarHBondContact O-CD1 3.46Å; S218-F240 VanDerWaalsContact O-CE1 3.25Å; S218-F240 WeakPolarHBondContact O-CE1 3.34Å; S218-F240 PolarHBondContact O-N 3.1Å; F220-F240 AromaticContact CD2-CE1 3.88Å; F220-F240 HydrophobicContact CD2-CE1 3.88Å; F220-F240 HydrophobicContact CD2-CZ 4.16Å; F220-F240 AromaticContact CE2-CE1 3.66Å; F220-F240 HydrophobicContact CE2-CE1 3.66Å; F220-F240 AromaticContact CE2-CZ 3.52Å; F220-F240 HydrophobicContact CE2-CZ 3.52Å; F220-F240 HydrophobicContact CZ-CZ 4.01Å; F240-A242 HydrophobicContact CE2-CB 4.45Å; F240-I247 HydrophobicContact CD2-CD1 4.3Å; F240-I247 HydrophobicContact CD2-CG1 4.03Å; F240-I247 HydrophobicContact CD2-CG2 4.22Å; F240-I247 HydrophobicContact CE2-CD1 3.99Å; F240-I247 HydrophobicContact CE2-CG1 3.82Å; F240-Y295 HydrophobicContact CB-CE1 4.3Å; F240-Y295 HydrophobicContact CB-CE2 3.94Å |
| 241 | L | 93.8 | Very high | 91.9 | Very high | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 127.6 | 176.2 | -178.8 | 63.4 | 0 | 0 | 0 | 110.8 | D215 Y217 Q248 Q251 | D215-L241 HydrophobicContact CB-CD1 3.94Å; Y217-L241 HydrophobicContact CD1-CB 4.3Å; Y217-L241 HydrophobicContact CD1-CD1 4.46Å; Y217-L241 HydrophobicContact CE1-CB 3.91Å; Y217-L241 HydrophobicContact CE1-CD1 4.03Å; Y217-L241 HydrophobicContact CE2-CD1 4.09Å; L241-Q248 HydrophobicContact CD2-CB 4.26Å; L241-Q248 HydrophobicContact CD2-CG 4.22Å; L241-Q248 HydrophobicContact CG-CB 4.34Å; L241-Q248 HydrophobicContact CG-CG 4.15Å; L241-Q248 PolarHBondContact O-N 3.42Å; L241-Q248 VanDerWaalsContact O-N 3.09Å; L241-Q251 PolarHBondContact O-NE2 3.1Å |
| 242 | A | 92.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | M216 F240 R246 | M216-A242 HydrophobicContact CG-CB 4.22Å; M216-A242 WeakPolarHBondContact CG-O 3.26Å; M216-A242 PolarHBondContact N-O 3.23Å; M216-A242 PolarHBondContact O-N 3.43Å; M216-A242 VanDerWaalsContact O-O 3.05Å; F240-A242 HydrophobicContact CE2-CB 4.45Å; A242-R246 CarbonylContact C-O 3.6Å; A242-R246 VanDerWaalsContact CA-O 3.31Å; A242-R246 WeakPolarHBondContact CA-O 3.21Å |
| 243 | H | 91.3 | Very high | 91.4 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123 | 172.4 | 179.9 | -104.1 | 0 | 0 | 0 | 108.8 | H211 D215 G245 R246 Q248 | H211-H243 PolarHBondContact O-NE2 2.85Å; D215-H243 IonicContact OD1-CD2 3.15Å; D215-H243 PolarHBondContact OD1-CD2 3.44Å; D215-H243 IonicContact OD1-CG 3.63Å; D215-H243 IonicContact OD1-NE2 2.79Å; H243-G245 PolarHBondContact O-N 3.43Å; H243-G245 VanDerWaalsContact O-N 3.1Å; H243-R246 PolarHBondContact N-O 3.45Å; H243-R246 PolarHBondContact O-N 3.43Å; H243-Q248 HydrophobicContact CB-CG 4.23Å |
| 244 | R | 86.8 | Confident | 91.2 | Very high | 179 Ų | 179 | 57.1 Ų | 57.1 | 68% | 0.675 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 38.4 | 179 | -61.2 | 179.9 | 173.3 | -177.8 | -1.2 | 114 | D214 R246 | D214-R244 HydrophobicContact CB-CG 3.81Å; D214-R244 IonicContact OD2-CZ 3.72Å; D214-R244 VanDerWaalsContact OD2-CZ 3.27Å; D214-R244 IonicContact OD2-NE 3.12Å; D214-R244 PolarHBondContact OD2-NE 2.85Å; D214-R244 IonicContact OD2-NH2 2.6Å; D214-R244 PolarHBondContact OD2-NH2 3.15Å; R244-R246 VanDerWaalsContact C-N 3.31Å; R244-R246 PolarHBondContact O-N 3.04Å |
| 245 | G | 85.3 | Confident | 91 | Very high | 68 Ų | 68 | 62.3 Ų | 62.3 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 7.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | H243 | H243-G245 PolarHBondContact O-N 3.43Å; H243-G245 VanDerWaalsContact O-N 3.1Å |
| 246 | R | 89.8 | Confident | 90.8 | Very high | 198 Ų | 198 | 63 Ų | 63 | 75% | 0.747 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.7 | 169.8 | -66.9 | -171.2 | -179.6 | 142.6 | 0.8 | 110.5 | A242 H243 R244 Q248 | A242-R246 CarbonylContact C-O 3.6Å; A242-R246 VanDerWaalsContact CA-O 3.31Å; A242-R246 WeakPolarHBondContact CA-O 3.21Å; H243-R246 PolarHBondContact N-O 3.45Å; H243-R246 PolarHBondContact O-N 3.43Å; R244-R246 VanDerWaalsContact C-N 3.31Å; R244-R246 PolarHBondContact O-N 3.04Å; R246-Q248 PolarHBondContact O-N 2.99Å; R246-Q248 PolarHBondContact O-NE2 3.17Å |
| 247 | I | 92.1 | Very high | 90.6 | Very high | 108 Ų | 108 | 67.4 Ų | 67.4 | 55% | 0.554 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 131.6 | 171.3 | -56.6 | 176 | 0 | 0 | 0 | 107.7 | F240 | F240-I247 HydrophobicContact CD2-CD1 4.3Å; F240-I247 HydrophobicContact CD2-CG1 4.03Å; F240-I247 HydrophobicContact CD2-CG2 4.22Å; F240-I247 HydrophobicContact CE2-CD1 3.99Å; F240-I247 HydrophobicContact CE2-CG1 3.82Å |
| 248 | Q | 90.1 | Very high | 90.4 | Very high | 73 Ų | 73 | 72.4 Ų | 72.4 | 34% | 0.341 | 35% | 0.353 | S | S | . | . | trans | -83.1 | 144.8 | 177.1 | -64.5 | -55.1 | -64.2 | 0 | 0 | 110.3 | L241 H243 R246 D250 Q251 | L241-Q248 HydrophobicContact CD2-CB 4.26Å; L241-Q248 HydrophobicContact CD2-CG 4.22Å; L241-Q248 HydrophobicContact CG-CB 4.34Å; L241-Q248 HydrophobicContact CG-CG 4.15Å; L241-Q248 PolarHBondContact O-N 3.42Å; L241-Q248 VanDerWaalsContact O-N 3.09Å; H243-Q248 HydrophobicContact CB-CG 4.23Å; R246-Q248 PolarHBondContact O-N 2.99Å; R246-Q248 PolarHBondContact O-NE2 3.17Å; Q248-D250 VanDerWaalsContact C-N 3.34Å; Q248-Q251 PolarHBondContact O-NE2 2.79Å | ||
| 249 | D | 86.8 | Confident | 90.4 | Very high | 138 Ų | 138 | 68.4 Ų | 68.4 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -70.7 | -36.7 | 174.2 | -59.2 | -25.2 | 0 | 0 | 0 | 111.1 | Q251 R300 | D249-Q251 PolarHBondContact O-N 3.35Å; D249-R300 IonicContact OD2-NH2 2.71Å; D249-R300 PolarHBondContact OD2-NH2 3.07Å |
| 250 | D | 87.3 | Confident | 90.2 | Very high | 86 Ų | 86 | 68.9 Ų | 68.9 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -89 | 97.9 | -179.3 | -166 | 12.7 | 0 | 0 | 0 | 110.3 | Q248 H252 | Q248-D250 VanDerWaalsContact C-N 3.34Å; D250-H252 PolarHBondContact O-ND1 3.25Å; D250-H252 IonicContact OD1-CE1 3.52Å; D250-H252 IonicContact OD1-NE2 3.49Å; D250-H252 IonicContact OD2-CE1 3.25Å; D250-H252 PolarHBondContact OD2-CE1 3.25Å; D250-H252 VanDerWaalsContact OD2-CE1 3.27Å; D250-H252 IonicContact OD2-NE2 3.21Å |
| 251 | Q | 90.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | trans | -92 | 131.4 | -171.4 | -73.8 | -65.9 | -25.4 | 0 | 0 | 110.5 | L241 Q248 D249 F293 | L241-Q251 PolarHBondContact O-NE2 3.1Å; Q248-Q251 PolarHBondContact O-NE2 2.79Å; D249-Q251 PolarHBondContact O-N 3.35Å; Q251-F293 VanDerWaalsContact C-CZ 3.42Å; Q251-F293 HydrophobicContact CB-CE1 3.94Å; Q251-F293 HydrophobicContact CB-CZ 3.67Å; Q251-F293 WeakPolarHBondContact O-CE1 3.25Å | ||
| 252 | H | 88.4 | Confident | 90.3 | Very high | 72 Ų | 72 | 68 Ų | 68 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | trans | -125.9 | 151.8 | -175.7 | -64.2 | 86.1 | 0 | 0 | 0 | 110.7 | Y217 D250 F293 | Y217-H252 VanDerWaalsContact CE1-O 3.25Å; Y217-H252 WeakPolarHBondContact CE1-O 3.07Å; D250-H252 PolarHBondContact O-ND1 3.25Å; D250-H252 IonicContact OD1-CE1 3.52Å; D250-H252 IonicContact OD1-NE2 3.49Å; D250-H252 IonicContact OD2-CE1 3.25Å; D250-H252 PolarHBondContact OD2-CE1 3.25Å; D250-H252 VanDerWaalsContact OD2-CE1 3.27Å; D250-H252 IonicContact OD2-NE2 3.21Å; H252-F293 VanDerWaalsContact C-CZ 3.49Å; H252-F293 WeakPolarHBondContact O-CE2 3.38Å; H252-F293 WeakPolarHBondContact O-CZ 3.33Å | ||
| 253 | P | 89.8 | Confident | 90.4 | Very high | 57 Ų | 57 | 67.8 Ų | 67.8 | 37% | 0.37 | 33% | 0.334 | S | S | . | . | trans | -67.9 | 149.8 | 172.8 | 28.9 | -34.5 | 0 | 0 | 0 | 111.1 | Y217 W255 F293 | Y217-P253 PolarHBondContact OH-O 3.44Å; P253-W255 PolarHBondContact O-N 2.84Å; P253-F293 HydrophobicContact CB-CD2 3.98Å; P253-F293 HydrophobicContact CB-CE2 4.41Å | ||
| 254 | V | 90.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 9% | 0.085 | 33% | 0.325 | C | S | . | . | trans | -60.6 | 134.1 | 177.6 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | I203 Y217 F239 L256 | I203-V254 HydrophobicContact CG2-CG1 4.44Å; Y217-V254 HydrophobicContact CD1-CB 4.43Å; Y217-V254 HydrophobicContact CD1-CG2 3.63Å; Y217-V254 HydrophobicContact CD2-CB 4.47Å; Y217-V254 HydrophobicContact CD2-CG1 4.05Å; Y217-V254 HydrophobicContact CD2-CG2 4.31Å; Y217-V254 HydrophobicContact CE1-CG2 4.11Å; Y217-V254 HydrophobicContact CE2-CG1 4.42Å; Y217-V254 HydrophobicContact CG-CB 4.35Å; Y217-V254 HydrophobicContact CG-CG1 4.22Å; Y217-V254 HydrophobicContact CG-CG2 3.72Å; F239-V254 HydrophobicContact CB-CG2 3.9Å; V254-L256 HydrophobicContact CB-CD2 4.19Å; V254-L256 HydrophobicContact CG1-CD2 4.07Å; V254-L256 PolarHBondContact O-N 2.99Å; V254-L256 VanDerWaalsContact O-N 3.15Å | ||
| 255 | W | 89.8 | Confident | 91 | Very high | 110 Ų | 110 | 58.6 Ų | 58.6 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | trans | -79.6 | 97 | 171.7 | -64.4 | -12.3 | 0 | 0 | 0 | 110.5 | P205 T207 P253 D257 I259 | P205-W255 HydrophobicContact CB-CB 4.41Å; T207-W255 HydrophobicContact CG2-CH2 3.87Å; T207-W255 HydrophobicContact CG2-CZ3 3.67Å; P253-W255 PolarHBondContact O-N 2.84Å; W255-D257 VanDerWaalsContact C-N 3.33Å; W255-D257 PolarHBondContact O-N 2.99Å; W255-I259 WeakPolarHBondContact O-CG1 3.25Å | ||
| 256 | L | 91.2 | Very high | 91.4 | Very high | 31 Ų | 31 | 55.3 Ų | 55.3 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -71.6 | -26.8 | -175.1 | -60.4 | 178.3 | 0 | 0 | 0 | 113.3 | W182 F236 V254 K258 I259 | W182-L256 HydrophobicContact CB-CB 4.23Å; W182-L256 HydrophobicContact CB-CD2 4.44Å; W182-L256 PolarHBondContact N-O 2.8Å; F236-L256 HydrophobicContact CB-CD2 4.11Å; F236-L256 HydrophobicContact CD1-CD2 4.11Å; F236-L256 HydrophobicContact CD2-CD1 4.1Å; F236-L256 HydrophobicContact CD2-CD2 3.55Å; F236-L256 HydrophobicContact CE1-CD2 4.44Å; F236-L256 HydrophobicContact CE2-CD2 3.95Å; F236-L256 HydrophobicContact CG-CD2 3.66Å; F236-L256 HydrophobicContact CZ-CD2 4.38Å; V254-L256 HydrophobicContact CB-CD2 4.19Å; V254-L256 HydrophobicContact CG1-CD2 4.07Å; V254-L256 PolarHBondContact O-N 2.99Å; V254-L256 VanDerWaalsContact O-N 3.15Å; L256-K258 VanDerWaalsContact C-N 3.29Å; L256-K258 PolarHBondContact O-N 3.15Å; L256-I259 HydrophobicContact CD2-CD1 4.14Å |
| 257 | D | 90.4 | Very high | 91.5 | Very high | 103 Ų | 103 | 48.3 Ų | 48.3 | 55% | 0.551 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -67.7 | -27.4 | -176.1 | -51.1 | -2.8 | 0 | 0 | 0 | 113.6 | S183 W255 | S183-D257 WeakPolarHBondContact CB-OD1 3.33Å; W255-D257 VanDerWaalsContact C-N 3.33Å; W255-D257 PolarHBondContact O-N 2.99Å |
| 258 | K | 89.8 | Confident | 91.3 | Very high | 110 Ų | 110 | 45.3 Ų | 45.3 | 48% | 0.478 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -134.9 | 65.7 | -168.5 | -66.2 | -178.3 | -173 | 169.4 | 0 | 112.4 | Y179 P205 E206 L256 | Y179-K258 HydrophobicContact CD2-CG 4.37Å; Y179-K258 HydrophobicContact CG-CB 4.28Å; Y179-K258 HydrophobicContact CG-CG 4.45Å; P205-K258 CarbonylContact C-O 3.6Å; P205-K258 VanDerWaalsContact CA-O 3.3Å; P205-K258 WeakPolarHBondContact CA-O 3.31Å; E206-K258 HydrophobicContact CB-CB 4.42Å; E206-K258 PolarHBondContact N-O 2.97Å; L256-K258 VanDerWaalsContact C-N 3.29Å; L256-K258 PolarHBondContact O-N 3.15Å |
| 259 | I | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.9 | 179.6 | -62.9 | 175.5 | 0 | 0 | 0 | 110.8 | H180 W182 I203 W255 L256 | H180-I259 HydrophobicContact CB-CB 4.35Å; H180-I259 PolarHBondContact N-O 2.9Å; H180-I259 PolarHBondContact O-N 3.06Å; W182-I259 HydrophobicContact CB-CD1 4.26Å; W182-I259 HydrophobicContact CD2-CD1 3.45Å; W182-I259 VanDerWaalsContact CD2-CD1 3.45Å; W182-I259 HydrophobicContact CE3-CD1 3.02Å; W182-I259 HydrophobicContact CE3-CG1 4.34Å; W182-I259 HydrophobicContact CG-CD1 4.04Å; W182-I259 HydrophobicContact CH2-CB 4.26Å; W182-I259 HydrophobicContact CH2-CD1 3.94Å; W182-I259 HydrophobicContact CH2-CG2 3.49Å; W182-I259 VanDerWaalsContact CH2-CG2 3.49Å; W182-I259 HydrophobicContact CZ2-CB 4.29Å; W182-I259 HydrophobicContact CZ2-CD1 4.36Å; W182-I259 HydrophobicContact CZ2-CG2 3.81Å; W182-I259 HydrophobicContact CZ3-CB 4.5Å; W182-I259 HydrophobicContact CZ3-CD1 3.32Å; W182-I259 HydrophobicContact CZ3-CG1 4.42Å; W182-I259 HydrophobicContact CZ3-CG2 3.98Å; I203-I259 HydrophobicContact CG2-CD1 4.16Å; I203-I259 HydrophobicContact CG2-CG1 4.37Å; I203-I259 HydrophobicContact CG2-CG2 3.79Å; W255-I259 WeakPolarHBondContact O-CG1 3.25Å; L256-I259 HydrophobicContact CD2-CD1 4.14Å |
| 260 | N | 92.4 | Very high | 91.5 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -53.8 | -179.9 | -74.7 | -27.3 | 0 | 0 | 0 | 112.1 | Q169 Y179 V204 E206 | Q169-N260 HydrophobicContact CG-CB 4.37Å; Q169-N260 PolarHBondContact NE2-OD1 2.96Å; Y179-N260 WeakPolarHBondContact CD1-OD1 3.29Å; Y179-N260 WeakPolarHBondContact CE1-OD1 3.45Å; V204-N260 WeakPolarHBondContact O-CA 3.35Å; V204-N260 VanDerWaalsContact O-CB 3.24Å; V204-N260 WeakPolarHBondContact O-CB 3.43Å; V204-N260 PolarHBondContact O-N 3.45Å; E206-N260 WeakPolarHBondContact CA-ND2 3.32Å; E206-N260 PolarHBondContact N-ND2 3.06Å; E206-N260 PolarHBondContact OE2-ND2 3.43Å; E206-N260 PolarHBondContact OE2-OD1 3.13Å |
| 261 | S | 92.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 153.8 | -170.9 | 60.3 | 0 | 0 | 0 | 0 | 112.1 | S167 V204 | S167-S261 WeakPolarHBondContact O-CB 3.24Å; S167-S261 WeakPolarHBondContact OG-CA 3.39Å; S167-S261 WeakPolarHBondContact OG-CB 3.48Å; V204-S261 PolarHBondContact N-O 3.11Å; V204-S261 PolarHBondContact O-N 3.36Å |
| 262 | I | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 144.9 | 165.6 | -59.6 | -173.7 | 0 | 0 | 0 | 108.1 | W105 R166 S167 W182 L188 I201 N202 I203 F264 I281 | W105-I262 HydrophobicContact CE3-CD1 4.34Å; W105-I262 HydrophobicContact CH2-CB 4.34Å; W105-I262 HydrophobicContact CH2-CD1 3.67Å; W105-I262 HydrophobicContact CH2-CG1 3.72Å; W105-I262 HydrophobicContact CZ3-CD1 3.32Å; W105-I262 HydrophobicContact CZ3-CG1 3.92Å; R166-I262 CarbonylContact C-O 3.51Å; R166-I262 WeakPolarHBondContact CA-O 2.94Å; S167-I262 PolarHBondContact N-O 3.23Å; S167-I262 PolarHBondContact OG-N 2.71Å; S167-I262 PolarHBondContact OG-O 2.99Å; W182-I262 HydrophobicContact CH2-CD1 3.35Å; W182-I262 HydrophobicContact CH2-CG1 3.52Å; W182-I262 HydrophobicContact CZ2-CD1 4.06Å; W182-I262 HydrophobicContact CZ2-CG1 4.31Å; W182-I262 HydrophobicContact CZ3-CD1 4.1Å; W182-I262 HydrophobicContact CZ3-CG1 4.42Å; L188-I262 HydrophobicContact CD1-CD1 3.88Å; I201-I262 HydrophobicContact CG2-CG2 4.22Å; N202-I262 CarbonylContact O-C 3.6Å; N202-I262 VanDerWaalsContact O-CA 3.3Å; N202-I262 WeakPolarHBondContact O-CA 3.49Å; I203-I262 HydrophobicContact CG1-CG1 4.41Å; I262-F264 HydrophobicContact CG2-CE2 4.41Å; I262-I281 HydrophobicContact CD1-CG2 3.99Å |
| 263 | G | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 161.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M165 I201 N202 | M165-G263 CarbonylContact O-C 3.54Å; M165-G263 WeakPolarHBondContact O-CA 3.41Å; I201-G263 CarbonylContact C-O 3.59Å; I201-G263 WeakPolarHBondContact CA-O 3.07Å; N202-G263 PolarHBondContact N-O 2.8Å; N202-G263 PolarHBondContact O-N 3.23Å |
| 264 | F | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.2 | 169.4 | -60.5 | -92.1 | 0 | 0 | 0 | 107.1 | W116 T164 M165 L190 W199 M200 I201 I262 L276 I278 I281 | W116-F264 HydrophobicContact CH2-CE2 4.32Å; W116-F264 HydrophobicContact CZ3-CD2 4.44Å; W116-F264 HydrophobicContact CZ3-CE2 4.35Å; T164-F264 CarbonylContact C-O 3.58Å; T164-F264 VanDerWaalsContact CA-O 3.29Å; T164-F264 WeakPolarHBondContact CA-O 3.19Å; T164-F264 PolarHBondContact OG1-O 2.8Å; M165-F264 HydrophobicContact CE-CD2 3.5Å; M165-F264 VanDerWaalsContact CE-CD2 3.5Å; M165-F264 HydrophobicContact CE-CE2 4.01Å; M165-F264 HydrophobicContact CE-CG 4.41Å; M165-F264 PolarHBondContact N-O 3.46Å; M165-F264 PolarHBondContact O-N 3.18Å; L190-F264 HydrophobicContact CD1-CE1 4.26Å; L190-F264 HydrophobicContact CD2-CZ 4.15Å; W199-F264 HydrophobicContact CE3-CB 4.01Å; W199-F264 HydrophobicContact CZ3-CB 4.28Å; M200-F264 CarbonylContact O-C 3.42Å; M200-F264 WeakPolarHBondContact O-CA 3.38Å; I201-F264 HydrophobicContact CD1-CE1 4.48Å; I201-F264 HydrophobicContact CG1-CD1 3.96Å; I201-F264 HydrophobicContact CG1-CE1 3.85Å; I262-F264 HydrophobicContact CG2-CE2 4.41Å; F264-L276 HydrophobicContact CB-CD2 4.35Å; F264-L276 HydrophobicContact CD1-CD2 4.19Å; F264-L276 HydrophobicContact CG-CD2 4.32Å; F264-I278 HydrophobicContact CD2-CD1 3.87Å; F264-I278 HydrophobicContact CE1-CD1 4.4Å; F264-I278 HydrophobicContact CE2-CD1 3.66Å; F264-I278 HydrophobicContact CG-CD1 4.33Å; F264-I278 HydrophobicContact CZ-CD1 3.94Å; F264-I281 HydrophobicContact CE2-CD1 3.62Å; F264-I281 HydrophobicContact CZ-CD1 3.85Å; F264-I281 HydrophobicContact CZ-CG1 4.37Å |
| 265 | T | 94.8 | Very high | 92.5 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 16% | 0.16 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.9 | -178.6 | -55 | 0 | 0 | 0 | 0 | 109.1 | C163 T164 M200 N202 | C163-T265 CarbonylContact O-C 3.56Å; C163-T265 WeakPolarHBondContact O-CA 3.29Å; T164-T265 PolarHBondContact OG1-OG1 3.32Å; M200-T265 WeakPolarHBondContact CB-O 3.39Å; M200-T265 PolarHBondContact N-O 2.88Å; M200-T265 PolarHBondContact O-N 2.91Å; N202-T265 WeakPolarHBondContact ND2-CB 3.32Å; N202-T265 PolarHBondContact ND2-OG1 2.72Å |
| 266 | L | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 131.8 | 170.5 | -175.2 | 69.5 | 0 | 0 | 0 | 108.4 | L147 Y162 C163 R197 P198 W199 F274 | L147-L266 HydrophobicContact CD2-CD2 4.21Å; L147-L266 HydrophobicContact CD2-CG 4.18Å; Y162-L266 WeakPolarHBondContact CA-O 3.31Å; C163-L266 HydrophobicContact CB-CB 4.48Å; C163-L266 PolarHBondContact N-O 3.23Å; C163-L266 PolarHBondContact O-N 2.9Å; R197-L266 HydrophobicContact CB-CD1 4.18Å; P198-L266 WeakPolarHBondContact O-CD1 3.43Å; W199-L266 HydrophobicContact CD2-CB 4.3Å; W199-L266 HydrophobicContact CD2-CD1 4.28Å; W199-L266 HydrophobicContact CE3-CB 3.92Å; W199-L266 HydrophobicContact CH2-CB 3.82Å; W199-L266 HydrophobicContact CH2-CD2 4.28Å; W199-L266 HydrophobicContact CZ2-CB 4.19Å; W199-L266 HydrophobicContact CZ2-CD1 4.44Å; W199-L266 HydrophobicContact CZ2-CD2 4.09Å; W199-L266 HydrophobicContact CZ2-CG 4.48Å; W199-L266 HydrophobicContact CZ3-CB 3.68Å; L266-F274 HydrophobicContact CD2-CB 3.6Å; L266-F274 HydrophobicContact CD2-CD1 3.46Å; L266-F274 VanDerWaalsContact CD2-CD1 3.46Å; L266-F274 HydrophobicContact CD2-CD2 3.94Å; L266-F274 HydrophobicContact CD2-CE1 4.07Å; L266-F274 HydrophobicContact CD2-CE2 4.48Å; L266-F274 HydrophobicContact CD2-CG 3.38Å |
| 267 | G | 90.9 | Very high | 92.8 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | trans | -165.8 | 44.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | K269 | G267-K269 VanDerWaalsContact C-N 3.29Š| ||
| 268 | D | 89.3 | Confident | 93 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | trans | -84.4 | 1 | -175.7 | 65.9 | -5.8 | 0 | 0 | 0 | 113.7 | L147 R197 P198 A270 | L147-D268 VanDerWaalsContact CD2-OD1 3.26Å; L147-D268 WeakPolarHBondContact CD2-OD1 3.47Å; R197-D268 IonicContact CZ-OD1 3.44Å; R197-D268 IonicContact CZ-OD2 3.74Å; R197-D268 VanDerWaalsContact CZ-OD2 3.31Å; R197-D268 IonicContact NE-OD2 2.68Å; R197-D268 PolarHBondContact NE-OD2 3.41Å; R197-D268 IonicContact NH2-OD1 3.92Å; R197-D268 PolarHBondContact NH2-OD1 3.27Å; R197-D268 IonicContact NH2-OD2 2.88Å; R197-D268 PolarHBondContact NH2-OD2 3.47Å; P198-D268 HydrophobicContact CG-CB 3.85Å; D268-A270 PolarHBondContact O-N 2.83Å; D268-A270 PolarHBondContact OD1-N 3.28Å | ||
| 269 | K | 89.1 | Confident | 93.1 | Very high | 150 Ų | 150 | 33 Ų | 33 | 65% | 0.652 | 20% | 0.196 | S | C | * | . | trans | 56.3 | 13 | -174 | -59.4 | -179.1 | 178.2 | 179.2 | 0 | 114.8 | S149 G267 | S149-K269 WeakPolarHBondContact OG-CA 3.19Å; G267-K269 VanDerWaalsContact C-N 3.29Å | ||
| 270 | A | 91 | Very high | 93.2 | Very high | 45 Ų | 45 | 34.9 Ų | 34.9 | 37% | 0.372 | 20% | 0.204 | S | C | . | . | trans | -87.8 | 121.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | R197 D268 | R197-A270 PolarHBondContact NH2-O 2.8Å; D268-A270 PolarHBondContact O-N 2.83Å; D268-A270 PolarHBondContact OD1-N 3.28Å | ||
| 271 | D | 93.1 | Very high | 93.3 | Very high | 91 Ų | 91 | 34.3 Ų | 34.3 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | trans | -81.6 | 137.6 | 179.5 | -68.2 | -19.1 | 0 | 0 | 0 | 110.1 | L147 C148 S149 | L147-D271 WeakPolarHBondContact O-CA 3.26Å; C148-D271 WeakPolarHBondContact CA-OD1 3.49Å; S149-D271 VanDerWaalsContact CB-OD1 3.26Å; S149-D271 WeakPolarHBondContact CB-OD1 3.1Å; S149-D271 PolarHBondContact N-OD1 2.89Å; S149-D271 PolarHBondContact OG-OD1 3.01Å | ||
| 272 | G | 92.8 | Very high | 93.4 | Very high | 17 Ų | 17 | 34 Ų | 34 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.8 | 177.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L147 R197 | L147-G272 PolarHBondContact N-O 3.3Å; L147-G272 PolarHBondContact O-N 2.66Å; R197-G272 PolarHBondContact NH1-O 2.91Å |
| 273 | P | 94.3 | Very high | 93.4 | Very high | 107 Ų | 107 | 34.1 Ų | 34.1 | 70% | 0.695 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 147.6 | 177.1 | 29.2 | -34.7 | 0 | 0 | 0 | 110.4 | G145 R197 | G145-P273 CarbonylContact O-C 3.52Å; G145-P273 VanDerWaalsContact O-CA 3.26Å; G145-P273 WeakPolarHBondContact O-CA 3.36Å; R197-P273 PolarHBondContact NH1-O 3.15Å; R197-P273 VanDerWaalsContact NH1-O 3.12Å |
| 274 | F | 93.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 153.7 | 170.5 | 63.2 | -94 | 0 | 0 | 0 | 110.7 | I130 L143 Y144 G145 L147 C163 D195 W199 L266 | I130-F274 HydrophobicContact CB-CZ 4.28Å; I130-F274 HydrophobicContact CD1-CE2 4.36Å; I130-F274 HydrophobicContact CD1-CZ 4.12Å; I130-F274 HydrophobicContact CG1-CE2 4.3Å; I130-F274 HydrophobicContact CG1-CZ 3.98Å; L143-F274 HydrophobicContact CG-CE2 4.36Å; Y144-F274 VanDerWaalsContact CA-O 3.28Å; Y144-F274 WeakPolarHBondContact CA-O 3.38Å; G145-F274 PolarHBondContact N-O 3.49Å; G145-F274 VanDerWaalsContact N-O 3.15Å; G145-F274 PolarHBondContact O-N 3.39Å; L147-F274 HydrophobicContact CB-CD1 4.09Å; L147-F274 HydrophobicContact CB-CE1 4.27Å; C163-F274 HydrophobicContact CB-CE1 4.01Å; C163-F274 HydrophobicContact CB-CE2 4.48Å; C163-F274 HydrophobicContact CB-CZ 3.64Å; D195-F274 WeakPolarHBondContact OD2-CA 3.26Å; D195-F274 WeakPolarHBondContact OD2-CB 3.29Å; W199-F274 AromaticContact CH2-CD2 3.69Å; W199-F274 HydrophobicContact CH2-CD2 3.69Å; W199-F274 AromaticContact CH2-CE2 3.82Å; W199-F274 HydrophobicContact CH2-CE2 3.82Å; W199-F274 HydrophobicContact CZ2-CB 4.48Å; W199-F274 AromaticContact CZ2-CD2 3.63Å; W199-F274 HydrophobicContact CZ2-CD2 3.63Å; W199-F274 HydrophobicContact CZ2-CE2 4.24Å; W199-F274 HydrophobicContact CZ2-CG 4.33Å; L266-F274 HydrophobicContact CD2-CB 3.6Å; L266-F274 HydrophobicContact CD2-CD1 3.46Å; L266-F274 VanDerWaalsContact CD2-CD1 3.46Å; L266-F274 HydrophobicContact CD2-CD2 3.94Å; L266-F274 HydrophobicContact CD2-CE1 4.07Å; L266-F274 HydrophobicContact CD2-CE2 4.48Å; L266-F274 HydrophobicContact CD2-CG 3.38Å |
| 275 | Q | 93.6 | Very high | 93.1 | Very high | 89 Ų | 89 | 37.5 Ų | 37.5 | 42% | 0.416 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 125 | 177.3 | -176.9 | 171.6 | -11.4 | 0 | 0 | 110.4 | L142 L143 D195 E277 | L142-Q275 HydrophobicContact CD1-CG 3.52Å; L142-Q275 VanDerWaalsContact CD1-NE2 3.27Å; L143-Q275 CarbonylContact O-C 3.59Å; L143-Q275 WeakPolarHBondContact O-CA 3.37Å; D195-Q275 WeakPolarHBondContact CB-O 3.46Å; D195-Q275 VanDerWaalsContact CG-O 3.28Å; D195-Q275 PolarHBondContact N-O 3.41Å; D195-Q275 PolarHBondContact OD2-N 3.45Å; Q275-E277 PolarHBondContact NE2-OE1 3.43Å |
| 276 | L | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 122.6 | 172.1 | -178.1 | 71 | 0 | 0 | 0 | 108.9 | L143 V192 W199 T223 F264 I278 | L143-L276 WeakPolarHBondContact CA-O 3.44Å; L143-L276 HydrophobicContact CB-CB 4.4Å; L143-L276 WeakPolarHBondContact CB-O 3.45Å; L143-L276 PolarHBondContact N-O 3.17Å; L143-L276 PolarHBondContact O-N 2.92Å; V192-L276 HydrophobicContact CB-CD1 4.47Å; W199-L276 HydrophobicContact CD2-CB 4.47Å; W199-L276 HydrophobicContact CD2-CD2 3.75Å; W199-L276 HydrophobicContact CE3-CD2 3.88Å; W199-L276 HydrophobicContact CG-CD2 4.24Å; W199-L276 HydrophobicContact CH2-CB 4.14Å; W199-L276 HydrophobicContact CH2-CD2 4.31Å; W199-L276 HydrophobicContact CZ2-CB 3.58Å; W199-L276 HydrophobicContact CZ2-CD2 4.21Å; W199-L276 HydrophobicContact CZ2-CG 4.45Å; W199-L276 HydrophobicContact CZ3-CD2 4.15Å; T223-L276 HydrophobicContact CG2-CD1 4.25Å; F264-L276 HydrophobicContact CB-CD2 4.35Å; F264-L276 HydrophobicContact CD1-CD2 4.19Å; F264-L276 HydrophobicContact CG-CD2 4.32Å; L276-I278 HydrophobicContact CD2-CD1 4.03Å; L276-I278 HydrophobicContact CD2-CG1 4.19Å; L276-I278 HydrophobicContact CG-CD1 4.47Å; L276-I278 HydrophobicContact CG-CG1 4.14Å |
| 277 | E | 93.6 | Very high | 92.6 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 6% | 0.061 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.5 | 171.6 | -72.2 | -177.1 | -140.1 | 0 | 0 | 110.6 | C141 L142 V192 R193 W229 Q275 | C141-E277 CarbonylContact O-C 3.59Å; C141-E277 VanDerWaalsContact O-CA 3.25Å; C141-E277 WeakPolarHBondContact O-CA 3.28Å; L142-E277 HydrophobicContact CB-CG 4.16Å; L142-E277 HydrophobicContact CD1-CG 3.31Å; L142-E277 HydrophobicContact CG-CG 4.31Å; V192-E277 CarbonylContact C-O 3.55Å; V192-E277 VanDerWaalsContact CA-O 3.29Å; V192-E277 WeakPolarHBondContact CA-O 3.1Å; R193-E277 HydrophobicContact CB-CB 4.15Å; R193-E277 IonicContact CZ-OE1 3.81Å; R193-E277 IonicContact CZ-OE2 3.67Å; R193-E277 PolarHBondContact N-O 2.77Å; R193-E277 IonicContact NE-OE1 3.63Å; R193-E277 IonicContact NE-OE2 2.54Å; R193-E277 PolarHBondContact NE-OE2 2.69Å; R193-E277 IonicContact NH2-OE1 3.42Å; R193-E277 PolarHBondContact NH2-OE1 3.47Å; R193-E277 IonicContact NH2-OE2 2.76Å; R193-E277 PolarHBondContact NH2-OE2 2.75Å; R193-E277 PolarHBondContact O-N 2.81Å; W229-E277 HydrophobicContact CH2-CB 3.95Å; W229-E277 HydrophobicContact CZ3-CB 4.31Å; Q275-E277 PolarHBondContact NE2-OE1 3.43Å |
| 278 | I | 94 | Very high | 92.4 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.7 | -178.9 | -53 | 164 | 0 | 0 | 0 | 107.4 | F107 S140 C141 M165 V192 F264 L276 I281 | F107-I278 HydrophobicContact CD2-CB 4.46Å; F107-I278 HydrophobicContact CD2-CG2 4.27Å; F107-I278 WeakPolarHBondContact CD2-O 3.4Å; F107-I278 HydrophobicContact CE2-CB 3.96Å; F107-I278 HydrophobicContact CE2-CG2 3.61Å; F107-I278 HydrophobicContact CZ-CG2 4.48Å; S140-I278 CarbonylContact C-O 3.56Å; S140-I278 WeakPolarHBondContact CA-O 3.49Å; S140-I278 WeakPolarHBondContact CB-O 3.46Å; C141-I278 PolarHBondContact N-O 3.09Å; C141-I278 PolarHBondContact O-N 3.07Å; M165-I278 HydrophobicContact CE-CD1 3.48Å; M165-I278 VanDerWaalsContact CE-CD1 3.48Å; V192-I278 HydrophobicContact CG1-CG1 4.15Å; V192-I278 HydrophobicContact CG1-CG2 4.35Å; F264-I278 HydrophobicContact CD2-CD1 3.87Å; F264-I278 HydrophobicContact CE1-CD1 4.4Å; F264-I278 HydrophobicContact CE2-CD1 3.66Å; F264-I278 HydrophobicContact CG-CD1 4.33Å; F264-I278 HydrophobicContact CZ-CD1 3.94Å; L276-I278 HydrophobicContact CD2-CD1 4.03Å; L276-I278 HydrophobicContact CD2-CG1 4.19Å; L276-I278 HydrophobicContact CG-CD1 4.47Å; L276-I278 HydrophobicContact CG-CG1 4.14Å; I278-I281 HydrophobicContact CG2-CD1 4.25Å; I278-I281 HydrophobicContact CG2-CG1 3.82Å |
| 279 | D | 93.1 | Very high | 92.3 | Very high | 31 Ų | 31 | 47 Ų | 47 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -55.7 | 177.9 | -174.4 | 28 | 0 | 0 | 0 | 110.3 | F107 R191 W229 | F107-D279 WeakPolarHBondContact CD2-O 3.37Å; R191-D279 HydrophobicContact CB-CB 4.11Å; R191-D279 WeakPolarHBondContact CD-OD2 3.35Å; R191-D279 HydrophobicContact CG-CB 3.97Å; R191-D279 IonicContact CZ-OD2 3.27Å; R191-D279 IonicContact NE-OD2 3.38Å; R191-D279 IonicContact NH1-OD2 3.54Å; R191-D279 PolarHBondContact NH1-OD2 3.4Å; R191-D279 PolarHBondContact O-N 2.85Å; W229-D279 HydrophobicContact CE3-CB 4.25Å; W229-D279 HydrophobicContact CH2-CB 3.96Å; W229-D279 HydrophobicContact CZ3-CB 3.71Å |
| 280 | F | 93.8 | Very high | 92.1 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 17% | 0.167 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 160.9 | 174.4 | 69.9 | -95.9 | 0 | 0 | 0 | 112 | V103 W105 H189 R191 | V103-F280 HydrophobicContact CG1-CB 3.88Å; V103-F280 HydrophobicContact CG1-CD2 4.19Å; V103-F280 HydrophobicContact CG1-CG 4.32Å; V103-F280 HydrophobicContact CG2-CD2 4.48Å; W105-F280 WeakPolarHBondContact O-CA 3.23Å; H189-F280 AromaticContact CE1-CE2 3.87Å; H189-F280 AromaticContact CE1-CZ 3.64Å; H189-F280 AromaticContact ND1-CE2 3.66Å; H189-F280 AromaticContact ND1-CZ 3.92Å; R191-F280 HydrophobicContact CB-CD1 3.76Å; R191-F280 HydrophobicContact CB-CE1 3.4Å; R191-F280 HydrophobicContact CB-CE2 4.42Å; R191-F280 HydrophobicContact CB-CG 4.43Å; R191-F280 HydrophobicContact CB-CZ 3.75Å; R191-F280 HydrophobicContact CG-CE1 4.13Å; R191-F280 PolarHBondContact N-O 2.82Å |
| 281 | I | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.1 | 172.5 | -57 | 170.4 | 0 | 0 | 0 | 107.1 | L104 W105 F107 W116 L188 L190 I262 F264 I278 | L104-I281 PolarHBondContact N-O 3.32Å; W105-I281 HydrophobicContact CB-CB 4.26Å; W105-I281 HydrophobicContact CE3-CB 3.74Å; W105-I281 HydrophobicContact CE3-CD1 4.43Å; W105-I281 HydrophobicContact CE3-CG2 3.41Å; W105-I281 VanDerWaalsContact CE3-CG2 3.41Å; W105-I281 HydrophobicContact CZ3-CG2 3.73Å; W105-I281 PolarHBondContact N-O 3.46Å; W105-I281 PolarHBondContact O-N 2.67Å; F107-I281 HydrophobicContact CE2-CD1 4.27Å; F107-I281 HydrophobicContact CE2-CG1 4.41Å; F107-I281 HydrophobicContact CZ-CD1 4.3Å; W116-I281 HydrophobicContact CH2-CD1 3.42Å; W116-I281 VanDerWaalsContact CH2-CD1 3.42Å; W116-I281 HydrophobicContact CZ2-CD1 3.72Å; L188-I281 HydrophobicContact CD1-CG2 4.33Å; L190-I281 HydrophobicContact CD2-CB 3.92Å; L190-I281 HydrophobicContact CD2-CG1 3.68Å; L190-I281 HydrophobicContact CD2-CG2 3.59Å; I262-I281 HydrophobicContact CD1-CG2 3.99Å; F264-I281 HydrophobicContact CE2-CD1 3.62Å; F264-I281 HydrophobicContact CZ-CD1 3.85Å; F264-I281 HydrophobicContact CZ-CG1 4.37Å; I278-I281 HydrophobicContact CG2-CD1 4.25Å; I278-I281 HydrophobicContact CG2-CG1 3.82Å |
| 282 | G | 94.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q102 L188 H189 | Q102-G282 CarbonylContact O-C 3.59Å; Q102-G282 WeakPolarHBondContact O-CA 3.26Å; L188-G282 WeakPolarHBondContact CD1-O 3.19Å; H189-G282 PolarHBondContact N-O 3.25Å; H189-G282 CarbonylContact O-C 3.41Å; H189-G282 PolarHBondContact O-N 2.59Å; H189-G282 VanDerWaalsContact O-O 3.05Å |
| 283 | V | 94.6 | Very high | 91 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.6 | 174.7 | -69.2 | 0 | 0 | 0 | 0 | 109 | N101 Q102 L104 W182 F185 T187 L188 F236 | N101-V283 WeakPolarHBondContact CA-O 3.23Å; Q102-V283 HydrophobicContact CB-CG2 3.93Å; Q102-V283 PolarHBondContact N-O 3.19Å; Q102-V283 PolarHBondContact O-N 3.23Å; L104-V283 HydrophobicContact CD1-CG1 3.7Å; L104-V283 HydrophobicContact CD1-CG2 4.18Å; L104-V283 HydrophobicContact CD2-CG2 4.49Å; L104-V283 HydrophobicContact CG-CG2 4.27Å; W182-V283 HydrophobicContact CD2-CG1 3.91Å; W182-V283 HydrophobicContact CE3-CG1 4.11Å; W182-V283 HydrophobicContact CG-CG1 4.19Å; F185-V283 HydrophobicContact CB-CB 3.93Å; F185-V283 HydrophobicContact CB-CG2 4.25Å; F185-V283 HydrophobicContact CD1-CB 4.33Å; F185-V283 HydrophobicContact CD1-CG2 4.03Å; F185-V283 HydrophobicContact CD2-CB 4.03Å; F185-V283 HydrophobicContact CD2-CG2 3.39Å; F185-V283 HydrophobicContact CE1-CG2 4.22Å; F185-V283 HydrophobicContact CE2-CG2 3.6Å; F185-V283 HydrophobicContact CG-CB 3.85Å; F185-V283 HydrophobicContact CG-CG2 3.62Å; F185-V283 HydrophobicContact CZ-CG2 4.02Å; T187-V283 CarbonylContact O-C 3.6Å; T187-V283 WeakPolarHBondContact O-CA 3.2Å; L188-V283 HydrophobicContact CD1-CG1 4.27Å; F236-V283 HydrophobicContact CZ-CG1 3.96Å |
| 284 | C | 93.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 139.4 | -175 | 170.1 | 0 | 0 | 0 | 0 | 109.4 | Q100 N101 N186 T187 H189 | Q100-C284 CarbonylContact O-C 3.55Å; Q100-C284 VanDerWaalsContact O-CA 3.3Å; Q100-C284 WeakPolarHBondContact O-CA 3.14Å; N101-C284 WeakPolarHBondContact OD1-CB 3.32Å; N101-C284 PolarHBondContact OD1-SG 3.43Å; N186-C284 PolarHBondContact N-O 3.26Å; T187-C284 PolarHBondContact N-O 3.2Å; T187-C284 PolarHBondContact O-N 3.38Å; T187-C284 WeakPolarHBondContact OG1-CB 3.09Å; T187-C284 PolarHBondContact OG1-O 2.91Å; H189-C284 HydrophobicContact CB-CB 4.23Å |
| 285 | K | 91.4 | Very high | 90.2 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 30% | 0.296 | 28% | 0.278 | S | S | . | . | trans | -93 | 101.9 | 170.3 | -169.6 | 173.8 | -165.7 | 151.4 | 0 | 108.2 | Q100 S184 F185 Y287 | Q100-K285 PolarHBondContact O-N 2.92Å; S184-K285 WeakPolarHBondContact O-CD 3.32Å; S184-K285 PolarHBondContact O-NZ 3.34Å; F185-K285 HydrophobicContact CD1-CB 4.2Å; K285-Y287 HydrophobicContact CD-CE1 4.24Å | ||
| 286 | D | 90.3 | Very high | 89.5 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | trans | -93.6 | 118.3 | 172.9 | -168.8 | -2.2 | 0 | 0 | 0 | 109.4 | T187 A288 H289 | T187-D286 HydrophobicContact CG2-CB 3.75Å; D286-A288 VanDerWaalsContact C-N 3.34Å; D286-A288 WeakPolarHBondContact OD1-CB 3.43Å; D286-A288 PolarHBondContact OD1-N 3.21Å; D286-H289 HydrophobicContact CB-CB 4.27Å | ||
| 287 | Y | 88.1 | Confident | 88.8 | Confident | 152 Ų | 152 | 62 Ų | 62 | 60% | 0.596 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -78.3 | -19.9 | 178.9 | -64.1 | -81.4 | 0 | 0 | 0 | 112.8 | Q100 K285 | Q100-Y287 HydrophobicContact CG-CE2 4.25Å; K285-Y287 HydrophobicContact CD-CE1 4.24Å |
| 288 | A | 88.1 | Confident | 87.7 | Confident | 85 Ų | 85 | 70 Ų | 70 | 70% | 0.702 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -72.5 | -25.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | D286 T290 | D286-A288 VanDerWaalsContact C-N 3.34Å; D286-A288 WeakPolarHBondContact OD1-CB 3.43Å; D286-A288 PolarHBondContact OD1-N 3.21Å; A288-T290 PolarHBondContact O-N 3.41Å |
| 289 | H | 86.6 | Confident | 86.7 | Confident | 29 Ų | 29 | 77.8 Ų | 77.8 | 13% | 0.134 | 38% | 0.382 | C | S | . | . | trans | -89.2 | 107.7 | -179 | -170.2 | 76.2 | 0 | 0 | 0 | 110.9 | S237 D286 E291 | S237-H289 PolarHBondContact OG-CE1 3.18Å; S237-H289 PolarHBondContact OG-NE2 2.78Å; D286-H289 HydrophobicContact CB-CB 4.27Å; H289-E291 IonicContact CE1-OE2 3.31Å; H289-E291 PolarHBondContact CE1-OE2 2.73Å; H289-E291 PolarHBondContact NE2-O 3.14Å | ||
| 290 | T | 84.9 | Confident | 85.6 | Confident | 116 Ų | 116 | 84.7 Ų | 84.7 | 71% | 0.712 | 41% | 0.406 | S | S | * | . | trans | -110.2 | -3.1 | -178.1 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | A288 D292 | A288-T290 PolarHBondContact O-N 3.41Å; T290-D292 PolarHBondContact O-N 3.24Å | ||
| 291 | E | 86.8 | Confident | 84.7 | Confident | 104 Ų | 104 | 89 Ų | 89 | 49% | 0.486 | 43% | 0.431 | S | S | . | . | trans | -75.7 | 120 | -179.3 | -54.3 | 172.5 | 169.8 | 0 | 0 | 110.5 | S237 H289 | S237-E291 WeakPolarHBondContact CB-O 3.04Å; H289-E291 IonicContact CE1-OE2 3.31Å; H289-E291 PolarHBondContact CE1-OE2 2.73Å; H289-E291 PolarHBondContact NE2-O 3.14Å | ||
| 292 | D | 81.3 | Confident | 83.7 | Confident | 148 Ų | 148 | 94.4 Ų | 94.4 | 79% | 0.791 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -75.8 | -38 | 175 | -66.1 | -29.5 | 0 | 0 | 0 | 111.9 | S237 T290 | S237-D292 WeakPolarHBondContact CB-O 3.44Å; T290-D292 PolarHBondContact O-N 3.24Å |
| 293 | F | 86 | Confident | 82.7 | Confident | 45 Ų | 45 | 101.9 Ų | 101.9 | 20% | 0.197 | 50% | 0.5 | C | S | . | . | trans | -154.6 | 125.4 | -175.5 | -161.4 | -120.5 | 0 | 0 | 0 | 112.6 | Q251 H252 P253 Y295 | Q251-F293 VanDerWaalsContact C-CZ 3.42Å; Q251-F293 HydrophobicContact CB-CE1 3.94Å; Q251-F293 HydrophobicContact CB-CZ 3.67Å; Q251-F293 WeakPolarHBondContact O-CE1 3.25Å; H252-F293 VanDerWaalsContact C-CZ 3.49Å; H252-F293 WeakPolarHBondContact O-CE2 3.38Å; H252-F293 WeakPolarHBondContact O-CZ 3.33Å; P253-F293 HydrophobicContact CB-CD2 3.98Å; P253-F293 HydrophobicContact CB-CE2 4.41Å; F293-Y295 WeakPolarHBondContact CD1-O 3.43Å; F293-Y295 HydrophobicContact CE1-CD2 4.34Å; F293-Y295 HydrophobicContact CE1-CG 4.5Å; F293-Y295 WeakPolarHBondContact CE1-O 3.49Å; F293-Y295 HydrophobicContact CE2-CD2 4.02Å; F293-Y295 AromaticContact CZ-CD2 3.85Å; F293-Y295 HydrophobicContact CZ-CD2 3.85Å; F293-Y295 HydrophobicContact CZ-CG 4.37Å | ||
| 294 | A | 85.8 | Confident | 81.4 | Confident | 52 Ų | 52 | 111.6 Ų | 111.6 | 43% | 0.43 | 56% | 0.559 | S | S | . | * | trans | -84.6 | -18.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S237 | S237-A294 WeakPolarHBondContact O-CB 3.02Å; S237-A294 PolarHBondContact O-N 3.23Å; S237-A294 VanDerWaalsContact O-N 3.16Å | ||
| 295 | Y | 85.6 | Confident | 80.8 | Confident | 81 Ų | 81 | 116.9 Ų | 116.9 | 32% | 0.318 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -95.8 | 136 | -172 | -57.4 | -81.5 | 0 | 0 | 0 | 112.4 | K238 F239 F240 F293 | K238-Y295 PolarHBondContact O-OH 3.05Å; F239-Y295 WeakPolarHBondContact O-CE2 3.43Å; F240-Y295 HydrophobicContact CB-CE1 4.3Å; F240-Y295 HydrophobicContact CB-CE2 3.94Å; F293-Y295 WeakPolarHBondContact CD1-O 3.43Å; F293-Y295 HydrophobicContact CE1-CD2 4.34Å; F293-Y295 HydrophobicContact CE1-CG 4.5Å; F293-Y295 WeakPolarHBondContact CE1-O 3.49Å; F293-Y295 HydrophobicContact CE2-CD2 4.02Å; F293-Y295 AromaticContact CZ-CD2 3.85Å; F293-Y295 HydrophobicContact CZ-CD2 3.85Å; F293-Y295 HydrophobicContact CZ-CG 4.37Å |
| 296 | E | 78.9 | Confident | 80.3 | Confident | 138 Ų | 138 | 119.4 Ų | 119.4 | 65% | 0.645 | 60% | 0.6 | S | S | * | * | trans | -66.3 | 136.9 | 178.8 | -64.6 | -177.2 | 172.8 | 0 | 0 | 111.5 | Y298 | E296-Y298 HydrophobicContact CB-CE2 4.49Å; E296-Y298 VanDerWaalsContact OE2-CZ 3.31Å; E296-Y298 PolarHBondContact OE2-OH 3.06Å | ||
| 297 | K | 78.4 | Confident | 79.7 | Confident | 136 Ų | 136 | 123 Ų | 123 | 59% | 0.591 | 62% | 0.617 | S | S | * | * | trans | -100.4 | 105.3 | 170.5 | -66.6 | -175.6 | 179.2 | -178 | 0 | 108.9 | ||||
| 298 | Y | 70.8 | Confident | 79.2 | Confident | 182 Ų | 182 | 121.3 Ų | 121.3 | 71% | 0.714 | 62% | 0.618 | S | S | * | * | trans | -73.4 | 128.1 | 172.5 | -62.6 | -71.1 | 0 | 0 | 0 | 110.1 | E296 R300 | E296-Y298 HydrophobicContact CB-CE2 4.49Å; E296-Y298 VanDerWaalsContact OE2-CZ 3.31Å; E296-Y298 PolarHBondContact OE2-OH 3.06Å; Y298-R300 PolarHBondContact O-N 3.2Å | ||
| 299 | K | 72.8 | Confident | 78.7 | Confident | 164 Ų | 164 | 123.6 Ų | 123.6 | 71% | 0.713 | 61% | 0.613 | S | S | * | * | trans | -67.2 | 105.3 | 167.2 | -71.2 | -173.7 | 180 | -177.5 | 0 | 108 | N301 E303 | K299-N301 VanDerWaalsContact C-N 3.27Å; K299-N301 PolarHBondContact O-N 3.38Å; K299-E303 IonicContact NZ-OE1 4Å; K299-E303 PolarHBondContact NZ-OE1 3.3Å | ||
| 300 | R | 69.8 | Low | 78.1 | Confident | 176 Ų | 176 | 129.9 Ų | 129.9 | 66% | 0.664 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -66.8 | -27.4 | -179.7 | -83.7 | -178.2 | 167.6 | 172.6 | -5 | 113.3 | D249 Y298 | D249-R300 IonicContact OD2-NH2 2.71Å; D249-R300 PolarHBondContact OD2-NH2 3.07Å; Y298-R300 PolarHBondContact O-N 3.2Å |
| 301 | N | 75.1 | Confident | 77.6 | Confident | 130 Ų | 130 | 130.9 Ų | 130.9 | 70% | 0.695 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -113.8 | 134.6 | 178.9 | -71.1 | -0.5 | 0 | 0 | 0 | 110.5 | K299 | K299-N301 VanDerWaalsContact C-N 3.27Å; K299-N301 PolarHBondContact O-N 3.38Å |
| 302 | P | 75 | Confident | 76.9 | Confident | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | trans | -63 | 140.1 | 164.5 | 27.5 | -31.5 | 0 | 0 | 0 | 109.1 | V304 | P302-V304 PolarHBondContact O-N 3.16Š| ||
| 303 | E | 74.3 | Confident | 76.6 | Confident | 159 Ų | 159 | 131.7 Ų | 131.7 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | trans | -64.8 | 116.1 | 171.5 | -67.8 | 173.8 | -172 | 0 | 0 | 107.4 | K299 | K299-E303 IonicContact NZ-OE1 4Å; K299-E303 PolarHBondContact NZ-OE1 3.3Å | ||
| 304 | V | 66.6 | Low | 75.7 | Confident | 205 Ų | 205 | 139.5 Ų | 139.5 | 100% | 1.242 | 68% | 0.68 | S | S | * | * | trans | -88.3 | 0 | 176.4 | -178 | 0 | 0 | 0 | 0 | 109.3 | P302 | P302-V304 PolarHBondContact O-N 3.16Š|
Retrieved 304 of 304 residues in 390.5 ms
(Link to these results)