| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.1 | Very low | 38.7 | Very low | 233 Ų | 233 | 149.3 Ų | 149.3 | 100% | 1.148 | 82% | 0.816 | S | S | * | * | 0 | 121.5 | 0 | -74.4 | 177.7 | -167.5 | 0 | 0 | 106.3 | |||||
| 2 | Q | 35.8 | Very low | 39.1 | Very low | 182 Ų | 182 | 151.5 Ų | 151.5 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | 49.9 | 100.1 | 158.9 | -71.5 | 165.2 | -29.5 | 0 | 0 | 116.6 | ||||
| 3 | D | 34 | Very low | 39.2 | Very low | 143 Ų | 143 | 157.2 Ų | 157.2 | 77% | 0.765 | 82% | 0.822 | S | S | * | * | 47.1 | 109.6 | 81.1 | -81.6 | -25.2 | 0 | 0 | 0 | 114.5 | |||||
| 4 | T | 36.8 | Very low | 39.6 | Very low | 108 Ų | 108 | 160.5 Ų | 160.5 | 66% | 0.663 | 83% | 0.831 | S | S | * | * | 92.4 | 128 | 122.8 | 56.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 5 | L | 39.7 | Very low | 39.8 | Very low | 164 Ų | 164 | 161.2 Ų | 161.2 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | trans | 73.6 | 139.2 | 131.8 | -69.1 | 162.3 | 0 | 0 | 0 | 116.4 | ||||
| 6 | A | 37.9 | Very low | 40.3 | Very low | 75 Ų | 75 | 163.5 Ų | 163.5 | 62% | 0.62 | 84% | 0.835 | S | S | * | * | cis | -173.4 | 158.7 | 6 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 7 | M | 33.8 | Very low | 40.6 | Very low | 184 Ų | 184 | 164.4 Ų | 164.4 | 91% | 0.906 | 84% | 0.835 | S | S | * | * | trans | -168.9 | 98.1 | 134.7 | -76.9 | -133.1 | 177.2 | 0 | 0 | 106.9 | ||||
| 8 | V | 42.2 | Very low | 41.2 | Very low | 135 Ų | 135 | 160.4 Ų | 160.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | 87.7 | 111.4 | 92.1 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 9 | D | 39.7 | Very low | 41.9 | Very low | 159 Ų | 159 | 157.6 Ų | 157.6 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -68.6 | 145.3 | 169.8 | -73.4 | -46.4 | 0 | 0 | 0 | 112.3 | ||||
| 10 | D | 39.2 | Very low | 42.4 | Very low | 157 Ų | 157 | 159 Ų | 159 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | -158.9 | 157.3 | 141.1 | -128.5 | 4.2 | 0 | 0 | 0 | 109.3 | ||||
| 11 | P | 47.7 | Very low | 43.3 | Very low | 102 Ų | 102 | 155.9 Ų | 155.9 | 66% | 0.662 | 81% | 0.81 | S | S | * | * | trans | -120.5 | -173 | -130.7 | 20.8 | 6.5 | 0 | 0 | 0 | 112.2 | ||||
| 12 | E | 43.5 | Very low | 44.4 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 78 | 98.2 | 170.1 | -61.6 | -177.3 | 155.6 | 0 | 0 | 116.6 | ||||
| 13 | Y | 40.3 | Very low | 46 | Very low | 226 Ų | 226 | 146.4 Ų | 146.4 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | -169.3 | 91.1 | 120 | -95.2 | -76.6 | 0 | 0 | 0 | 107.1 | E15 | Y13-E15 PolarHBondContact O-N 3.38Š| |||
| 14 | E | 44.3 | Very low | 47.2 | Very low | 203 Ų | 203 | 149.3 Ų | 149.3 | 95% | 0.949 | 78% | 0.784 | S | S | * | * | trans | -80.3 | 99.1 | 163.9 | -80.6 | -178.3 | 164.5 | 0 | 0 | 107.8 | ||||
| 15 | E | 42.4 | Very low | 48 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -102.5 | 123.1 | 153.2 | -78.4 | -172.2 | 162.1 | 0 | 0 | 107.2 | Y13 E17 | Y13-E15 PolarHBondContact O-N 3.38Å; E15-E17 PolarHBondContact O-N 3.12Å; E15-E17 VanDerWaalsContact O-N 3.12Å | ||
| 16 | E | 49 | Very low | 48.9 | Very low | 198 Ų | 198 | 149.9 Ų | 149.9 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -59.3 | 111.1 | 172 | -72.9 | 179.4 | 150.9 | 0 | 0 | 109.2 | ||||
| 17 | E | 45.7 | Very low | 50 | Low | 178 Ų | 178 | 154.8 Ų | 154.8 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -67.9 | 133.6 | 170.2 | -70.8 | -169 | 165.2 | 0 | 0 | 110 | E15 | E15-E17 PolarHBondContact O-N 3.12Å; E15-E17 VanDerWaalsContact O-N 3.12Å | ||
| 18 | P | 49.8 | Very low | 50.9 | Low | 94 Ų | 94 | 151.1 Ų | 151.1 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | trans | -68.9 | 142.1 | -179.7 | 26.8 | -31.9 | 0 | 0 | 0 | 111.6 | F20 | P18-F20 HydrophobicContact CG-CE2 4.14Å; P18-F20 HydrophobicContact CG-CZ 4.42Å; P18-F20 WeakPolarHBondContact O-CD2 3.48Å; P18-F20 WeakPolarHBondContact O-CE2 3.11Å; P18-F20 PolarHBondContact O-N 3.2Å | ||
| 19 | S | 54.4 | Low | 51.6 | Low | 106 Ų | 106 | 152.7 Ų | 152.7 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -65.4 | 109 | 173.7 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | S21 | S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.14Å; S19-S21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | F | 52.2 | Low | 52.4 | Low | 186 Ų | 186 | 148.9 Ų | 148.9 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | -83.4 | 53.2 | 175.3 | -72.1 | -91.4 | 0 | 0 | 0 | 112.4 | P18 | P18-F20 HydrophobicContact CG-CE2 4.14Å; P18-F20 HydrophobicContact CG-CZ 4.42Å; P18-F20 WeakPolarHBondContact O-CD2 3.48Å; P18-F20 WeakPolarHBondContact O-CE2 3.11Å; P18-F20 PolarHBondContact O-N 3.2Å | ||
| 21 | S | 61.3 | Low | 53.2 | Low | 93 Ų | 93 | 148.7 Ų | 148.7 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | trans | -115.2 | 118.2 | 176.4 | -47.3 | 0 | 0 | 0 | 0 | 108.9 | S19 | S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.14Å; S19-S21 VanDerWaalsContact O-N 3.14Å | ||
| 22 | D | 63 | Low | 53.6 | Low | 118 Ų | 118 | 150.3 Ų | 150.3 | 63% | 0.631 | 75% | 0.753 | S | S | * | * | trans | -67 | 147 | -178.2 | -61.4 | -46.1 | 0 | 0 | 0 | 111.4 | F26 | D22-F26 HydrophobicContact CB-CB 4.28Å; D22-F26 HydrophobicContact CB-CD1 4.4Å; D22-F26 HydrophobicContact CB-CG 4.38Å | ||
| 23 | P | 69.9 | Low | 54.1 | Low | 98 Ų | 98 | 149 Ų | 149 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -65.7 | 152.1 | 179.6 | -17.6 | 31.6 | 0 | 0 | 0 | 112.5 | D25 F26 | P23-D25 PolarHBondContact O-N 3.05Å; P23-F26 WeakPolarHBondContact O-CB 3.47Å; P23-F26 PolarHBondContact O-N 2.88Å | ||
| 24 | E | 58 | Low | 55 | Low | 205 Ų | 205 | 145.1 Ų | 145.1 | 96% | 0.958 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -10 | -175.7 | -70.4 | -172.4 | 156 | 0 | 0 | 116 | ||
| 25 | D | 54.4 | Low | 55.6 | Low | 162 Ų | 162 | 141.1 Ų | 141.1 | 87% | 0.866 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 20.2 | 178.9 | -73.5 | -34.6 | 0 | 0 | 0 | 113.2 | P23 E27 | P23-D25 PolarHBondContact O-N 3.05Å; D25-E27 PolarHBondContact O-N 3.48Å |
| 26 | F | 58.9 | Low | 56 | Low | 121 Ų | 121 | 136.8 Ų | 136.8 | 53% | 0.531 | 70% | 0.703 | S | S | . | * | trans | -81.3 | 112.9 | 175.4 | -166.5 | -105.2 | 0 | 0 | 0 | 110.7 | D22 P23 D28 | D22-F26 HydrophobicContact CB-CB 4.28Å; D22-F26 HydrophobicContact CB-CD1 4.4Å; D22-F26 HydrophobicContact CB-CG 4.38Å; P23-F26 WeakPolarHBondContact O-CB 3.47Å; P23-F26 PolarHBondContact O-N 2.88Å; F26-D28 WeakPolarHBondContact CE1-OD1 3.33Å | ||
| 27 | E | 59.4 | Low | 56.3 | Low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 68% | 0.684 | S | S | * | * | trans | -89.8 | 116.3 | 168 | -73.9 | -175.7 | 159.5 | 0 | 0 | 108.6 | D25 D29 | D25-E27 PolarHBondContact O-N 3.48Å; E27-D29 PolarHBondContact O-N 3.43Å | ||
| 28 | D | 54.4 | Low | 56.8 | Low | 106 Ų | 106 | 130.2 Ų | 130.2 | 57% | 0.567 | 68% | 0.676 | S | S | * | * | trans | -68 | 121 | 174.9 | -91.9 | -49 | 0 | 0 | 0 | 110.6 | F26 I30 | F26-D28 WeakPolarHBondContact CE1-OD1 3.33Å; D28-I30 PolarHBondContact O-N 3.21Å | ||
| 29 | D | 55.1 | Low | 56.9 | Low | 168 Ų | 168 | 131.2 Ų | 131.2 | 90% | 0.898 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -77.8 | 10.4 | 175.3 | -80.8 | -33.2 | 0 | 0 | 0 | 113 | E27 | E27-D29 PolarHBondContact O-N 3.43Š|
| 30 | I | 56.8 | Low | 56.5 | Low | 80 Ų | 80 | 130 Ų | 130 | 41% | 0.41 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -119.3 | 119.3 | -174.6 | -52.3 | 176.8 | 0 | 0 | 0 | 107.8 | D28 E34 L35 | D28-I30 PolarHBondContact O-N 3.21Å; I30-E34 HydrophobicContact CG2-CB 3.7Å; I30-E34 WeakPolarHBondContact CG2-OE2 3.43Å; I30-L35 HydrophobicContact CG2-CD1 4.41Å |
| 31 | E | 55.9 | Low | 56.7 | Low | 152 Ų | 152 | 130.1 Ų | 130.1 | 71% | 0.71 | 66% | 0.655 | S | S | * | * | trans | -61.9 | 139.3 | 178.2 | -67.6 | -175.9 | 162.2 | 0 | 0 | 110 | E33 E34 | E31-E33 PolarHBondContact O-N 2.78Å; E31-E34 PolarHBondContact O-N 2.88Å | ||
| 32 | D | 55.9 | Low | 56 | Low | 136 Ų | 136 | 133.7 Ų | 133.7 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.6 | -19.5 | 180 | -71.2 | -30.9 | 0 | 0 | 0 | 114.1 | ||
| 33 | E | 55.3 | Low | 55 | Low | 149 Ų | 149 | 135 Ų | 135 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -26.2 | 179.3 | -144.6 | 149 | -153.6 | 0 | 0 | 113.3 | E31 | E31-E33 PolarHBondContact O-N 2.78Š|
| 34 | E | 58.9 | Low | 53.6 | Low | 144 Ų | 144 | 135.8 Ų | 135.8 | 67% | 0.673 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -25.3 | 176.5 | -133.2 | 175.5 | -170.5 | 0 | 0 | 112.1 | I30 E31 | I30-E34 HydrophobicContact CG2-CB 3.7Å; I30-E34 WeakPolarHBondContact CG2-OE2 3.43Å; E31-E34 PolarHBondContact O-N 2.88Å |
| 35 | L | 55.6 | Low | 52.9 | Low | 120 Ų | 120 | 133.1 Ų | 133.1 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -15.2 | -179.7 | -122.6 | 119.3 | 0 | 0 | 0 | 113.7 | I30 | I30-L35 HydrophobicContact CG2-CD1 4.41Š|
| 36 | L | 52.9 | Low | 52.5 | Low | 79 Ų | 79 | 135 Ų | 135 | 41% | 0.414 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.4 | 20.3 | -174.1 | -84.5 | 162.9 | 0 | 0 | 0 | 113.8 | D38 I39 L40 | L36-D38 VanDerWaalsContact C-N 3.3Å; L36-D38 PolarHBondContact O-N 3.27Å; L36-I39 HydrophobicContact CD2-CB 3.95Å; L36-I39 HydrophobicContact CD2-CD1 3.89Å; L36-I39 HydrophobicContact CD2-CG1 4.33Å; L36-I39 HydrophobicContact CD2-CG2 4.35Å; L36-I39 PolarHBondContact O-N 3.24Å; L36-L40 HydrophobicContact CB-CD1 3.97Å; L36-L40 WeakPolarHBondContact O-CB 3.37Å; L36-L40 PolarHBondContact O-N 3.26Å |
| 37 | E | 54.7 | Low | 51.9 | Low | 114 Ų | 114 | 131.5 Ų | 131.5 | 53% | 0.533 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -58.1 | -38.2 | -175.1 | -129.2 | -166.4 | 165.2 | 0 | 0 | 113.3 | R41 | E37-R41 PolarHBondContact O-N 2.93Å |
| 38 | D | 55.3 | Low | 51.4 | Low | 125 Ų | 125 | 129.4 Ų | 129.4 | 67% | 0.668 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.8 | -31.2 | -178.4 | -73.4 | -28.3 | 0 | 0 | 0 | 113.1 | L36 | L36-D38 VanDerWaalsContact C-N 3.3Å; L36-D38 PolarHBondContact O-N 3.27Å |
| 39 | I | 51.3 | Low | 51.5 | Low | 114 Ų | 114 | 126 Ų | 126 | 59% | 0.585 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -85.7 | -28 | 178.9 | -62.2 | 179.5 | 0 | 0 | 0 | 111.2 | L36 E42 K43 | L36-I39 HydrophobicContact CD2-CB 3.95Å; L36-I39 HydrophobicContact CD2-CD1 3.89Å; L36-I39 HydrophobicContact CD2-CG1 4.33Å; L36-I39 HydrophobicContact CD2-CG2 4.35Å; L36-I39 PolarHBondContact O-N 3.24Å; I39-E42 PolarHBondContact O-N 3.42Å; I39-K43 PolarHBondContact O-N 3.38Å |
| 40 | L | 47.5 | Very low | 52.1 | Low | 82 Ų | 82 | 120.1 Ų | 120.1 | 43% | 0.429 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -72 | -28 | 172.6 | -90.3 | 151.5 | 0 | 0 | 0 | 113 | L36 E42 K43 | L36-L40 HydrophobicContact CB-CD1 3.97Å; L36-L40 WeakPolarHBondContact O-CB 3.37Å; L36-L40 PolarHBondContact O-N 3.26Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-K43 HydrophobicContact CD2-CD 4.45Å |
| 41 | R | 55 | Low | 52.8 | Low | 187 Ų | 187 | 120.3 Ų | 120.3 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.1 | -26.5 | 170.5 | -80.7 | -178.8 | -179.4 | 166.4 | 8.7 | 113.7 | E37 | E37-R41 PolarHBondContact O-N 2.93Å |
| 42 | E | 48 | Very low | 54 | Low | 169 Ų | 169 | 113.7 Ų | 113.7 | 79% | 0.79 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -89.5 | -4.7 | 177.9 | -73.6 | -163.8 | 156.7 | 0 | 0 | 114.1 | I39 L40 | I39-E42 PolarHBondContact O-N 3.42Å; L40-E42 VanDerWaalsContact C-N 3.33Å |
| 43 | K | 42 | Very low | 55.4 | Low | 145 Ų | 145 | 108.5 Ų | 108.5 | 63% | 0.63 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -66.4 | 126.8 | 166.1 | -92.8 | -179.2 | 179.5 | 170.6 | 0 | 108.7 | I39 L40 Q45 | I39-K43 PolarHBondContact O-N 3.38Å; L40-K43 HydrophobicContact CD2-CD 4.45Å; K43-Q45 PolarHBondContact O-N 3.38Å; K43-Q45 VanDerWaalsContact O-N 3.09Å |
| 44 | P | 40.3 | Very low | 56.9 | Low | 114 Ų | 114 | 101.4 Ų | 101.4 | 74% | 0.74 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 121.4 | 170 | 23.7 | -30.8 | 0 | 0 | 0 | 108.1 | E46 | P44-E46 PolarHBondContact O-N 3.09Š|
| 45 | Q | 43 | Very low | 58.3 | Low | 149 Ų | 149 | 95.9 Ų | 95.9 | 70% | 0.696 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 131.8 | 169.6 | -86.7 | 178.8 | -26.8 | 0 | 0 | 107.9 | K43 A47 D48 | K43-Q45 PolarHBondContact O-N 3.38Å; K43-Q45 VanDerWaalsContact O-N 3.09Å; Q45-A47 HydrophobicContact CB-CB 4.34Å; Q45-A47 PolarHBondContact O-N 3.02Å; Q45-D48 PolarHBondContact O-N 2.86Å |
| 46 | E | 45.2 | Very low | 59.8 | Low | 203 Ų | 203 | 90.2 Ų | 90.2 | 95% | 0.949 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -3.8 | 172 | -80.3 | -175.4 | 150.4 | 0 | 0 | 113.2 | P44 | P44-E46 PolarHBondContact O-N 3.09Š|
| 47 | A | 47.9 | Very low | 61.3 | Low | 46 Ų | 46 | 90 Ų | 90 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -17.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q45 G49 I50 | Q45-A47 HydrophobicContact CB-CB 4.34Å; Q45-A47 PolarHBondContact O-N 3.02Å; A47-G49 PolarHBondContact O-N 3.33Å; A47-I50 VanDerWaalsContact O-CG1 3.25Å; A47-I50 WeakPolarHBondContact O-CG1 3.24Å; A47-I50 PolarHBondContact O-N 3.28Å |
| 48 | D | 48.3 | Very low | 62.7 | Low | 136 Ų | 136 | 87.7 Ų | 87.7 | 73% | 0.727 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -3.8 | -176 | -82.9 | -20.2 | 0 | 0 | 0 | 114.5 | Q45 | Q45-D48 PolarHBondContact O-N 2.86Š|
| 49 | G | 56.6 | Low | 64.1 | Low | 33 Ų | 33 | 81.9 Ų | 81.9 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -14.4 | 176 | 0 | 0 | 0 | 0 | 0 | 115.4 | A47 D51 S52 | A47-G49 PolarHBondContact O-N 3.33Å; G49-D51 VanDerWaalsContact C-N 3.31Å; G49-D51 PolarHBondContact O-N 3.31Å; G49-S52 PolarHBondContact O-N 3.38Å |
| 50 | I | 67.3 | Low | 65.7 | Low | 45 Ų | 45 | 77.4 Ų | 77.4 | 23% | 0.231 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -71.2 | -25.3 | -169.3 | 67.2 | -176.7 | 0 | 0 | 0 | 113.7 | A47 S52 V53 F133 T134 | A47-I50 VanDerWaalsContact O-CG1 3.25Å; A47-I50 WeakPolarHBondContact O-CG1 3.24Å; A47-I50 PolarHBondContact O-N 3.28Å; I50-S52 PolarHBondContact O-N 2.8Å; I50-V53 PolarHBondContact O-N 2.59Å; I50-F133 HydrophobicContact CB-CD1 3.98Å; I50-F133 HydrophobicContact CG2-CD1 4.05Å; I50-F133 HydrophobicContact CG2-CE1 4.24Å; I50-T134 HydrophobicContact CB-CG2 4.34Å; I50-T134 HydrophobicContact CD1-CG2 3.75Å; I50-T134 HydrophobicContact CG1-CG2 3.57Å |
| 51 | D | 72.3 | Confident | 67.5 | Low | 84 Ų | 84 | 79.5 Ų | 79.5 | 45% | 0.449 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -69.1 | -18.7 | -179.9 | -69.8 | 4 | 0 | 0 | 0 | 112.8 | G49 P107 T134 | G49-D51 VanDerWaalsContact C-N 3.31Å; G49-D51 PolarHBondContact O-N 3.31Å; D51-P107 HydrophobicContact CB-CB 4.13Å; D51-P107 HydrophobicContact CB-CG 4.25Å; D51-T134 WeakPolarHBondContact OD1-CG2 3.29Å |
| 52 | S | 81.3 | Confident | 68.9 | Low | 14 Ų | 14 | 71.6 Ų | 71.6 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -96.8 | -2.8 | 179.1 | -57.9 | 0 | 0 | 0 | 0 | 113 | G49 I50 Y104 P107 | G49-S52 PolarHBondContact O-N 3.38Å; I50-S52 PolarHBondContact O-N 2.8Å; S52-Y104 WeakPolarHBondContact CB-O 3.3Å; S52-Y104 PolarHBondContact O-N 2.96Å; S52-P107 WeakPolarHBondContact OG-CD 3.19Å; S52-P107 WeakPolarHBondContact OG-CG 3.41Å |
| 53 | V | 84.9 | Confident | 70.6 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 16% | 0.164 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.1 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | I50 F101 E103 F133 | I50-V53 PolarHBondContact O-N 2.59Å; V53-F101 HydrophobicContact CG1-CB 4.26Å; V53-F101 HydrophobicContact CG1-CD1 4.14Å; V53-E103 HydrophobicContact CG2-CB 4.41Å; V53-E103 HydrophobicContact CG2-CG 4.14Å; V53-F133 HydrophobicContact CB-CB 3.97Å; V53-F133 HydrophobicContact CG1-CB 4.08Å; V53-F133 HydrophobicContact CG1-CD2 4.44Å; V53-F133 HydrophobicContact CG1-CG 4.45Å; V53-F133 PolarHBondContact O-N 3.03Å |
| 54 | V | 86.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.9 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | V56 F101 L102 Y104 A110 V114 V130 L132 | V54-V56 HydrophobicContact CG1-CG2 4.22Å; V54-F101 WeakPolarHBondContact O-CA 3.47Å; V54-L102 PolarHBondContact N-O 3.12Å; V54-L102 PolarHBondContact O-N 2.91Å; V54-Y104 HydrophobicContact CB-CE2 4.37Å; V54-Y104 HydrophobicContact CG2-CD2 3.96Å; V54-Y104 HydrophobicContact CG2-CE2 3.82Å; V54-A110 HydrophobicContact CG2-CB 3.49Å; V54-A110 VanDerWaalsContact CG2-CB 3.49Å; V54-V114 HydrophobicContact CG1-CG2 3.93Å; V54-V114 HydrophobicContact CG2-CG2 4.16Å; V54-V130 HydrophobicContact CG1-CG1 3.14Å; V54-L132 HydrophobicContact CG2-CD2 4.37Å |
| 55 | V | 88.1 | Confident | 74.1 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 17% | 0.17 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.6 | 172.5 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | F101 V130 N131 F133 | V55-F101 HydrophobicContact CG1-CE1 4.22Å; V55-F101 HydrophobicContact CG2-CD1 3.77Å; V55-F101 HydrophobicContact CG2-CE1 3.66Å; V55-V130 WeakPolarHBondContact O-CA 3.4Å; V55-N131 PolarHBondContact N-O 3.11Å; V55-N131 PolarHBondContact O-N 2.76Å; V55-F133 HydrophobicContact CG2-CB 4.33Å; V55-F133 HydrophobicContact CG2-CD2 3.97Å |
| 56 | V | 87 | Confident | 75.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 114.7 | 174 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | V54 V59 F78 Y99 I100 L102 F128 R129 V130 | V54-V56 HydrophobicContact CG1-CG2 4.22Å; V56-V59 HydrophobicContact CB-CG2 4.35Å; V56-V59 HydrophobicContact CG1-CG2 3.8Å; V56-F78 HydrophobicContact CB-CZ 4.3Å; V56-F78 HydrophobicContact CG1-CE2 4.28Å; V56-F78 HydrophobicContact CG1-CZ 3.88Å; V56-F78 HydrophobicContact CG2-CE1 3.78Å; V56-F78 HydrophobicContact CG2-CE2 4.08Å; V56-F78 HydrophobicContact CG2-CZ 3.43Å; V56-F78 VanDerWaalsContact CG2-CZ 3.43Å; V56-Y99 CarbonylContact O-C 3.5Å; V56-Y99 WeakPolarHBondContact O-CA 3.08Å; V56-I100 HydrophobicContact CB-CD1 4.13Å; V56-I100 HydrophobicContact CB-CG1 3.65Å; V56-I100 HydrophobicContact CG1-CG1 4.43Å; V56-I100 HydrophobicContact CG2-CD1 4.44Å; V56-I100 HydrophobicContact CG2-CG1 4.22Å; V56-I100 PolarHBondContact N-O 3.05Å; V56-I100 PolarHBondContact O-N 3.32Å; V56-L102 HydrophobicContact CG2-CD1 4.05Å; V56-F128 HydrophobicContact CG1-CB 4.01Å; V56-F128 HydrophobicContact CG1-CD1 4.04Å; V56-F128 HydrophobicContact CG1-CG 3.96Å; V56-R129 CarbonylContact C-O 3.55Å; V56-R129 WeakPolarHBondContact CA-O 3.45Å; V56-V130 HydrophobicContact CG1-CG2 4.2Å; V56-V130 HydrophobicContact CG2-CG1 4.16Å; V56-V130 HydrophobicContact CG2-CG2 4.2Å |
| 57 | D | 84 | Confident | 77.6 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 161.4 | 179.9 | -171.7 | 24.9 | 0 | 0 | 0 | 111.5 | F128 R129 | D57-F128 WeakPolarHBondContact O-CA 3.41Å; D57-R129 HydrophobicContact CB-CB 4.27Å; D57-R129 PolarHBondContact N-O 3.3Å; D57-R129 PolarHBondContact O-N 3.19Å; D57-R129 VanDerWaalsContact O-N 3.11Å |
| 58 | N | 85 | Confident | 79.3 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 35% | 0.353 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 61.6 | 38.1 | -177.4 | -162.5 | 28.9 | 0 | 0 | 0 | 114.5 | G98 T127 | N58-G98 PolarHBondContact N-O 3.11Å; N58-T127 WeakPolarHBondContact CB-O 3.44Å; N58-T127 PolarHBondContact ND2-N 3.19Å; N58-T127 PolarHBondContact ND2-O 3.16Å |
| 59 | V | 85.2 | Confident | 81 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | trans | -78.5 | 144.4 | 171.5 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | V56 Q61 L70 I74 G98 I100 F128 | V56-V59 HydrophobicContact CB-CG2 4.35Å; V56-V59 HydrophobicContact CG1-CG2 3.8Å; V59-Q61 PolarHBondContact O-N 3.03Å; V59-L70 HydrophobicContact CG1-CD1 3.88Å; V59-L70 HydrophobicContact CG1-CD2 3.87Å; V59-L70 HydrophobicContact CG1-CG 4.31Å; V59-I74 HydrophobicContact CG1-CD1 4.26Å; V59-G98 PolarHBondContact N-O 3.28Å; V59-G98 VanDerWaalsContact O-CA 3.24Å; V59-G98 WeakPolarHBondContact O-CA 3.34Å; V59-I100 HydrophobicContact CB-CG2 4.42Å; V59-I100 HydrophobicContact CG1-CG2 4.26Å; V59-I100 HydrophobicContact CG2-CD1 4.21Å; V59-I100 HydrophobicContact CG2-CG1 4.03Å; V59-I100 HydrophobicContact CG2-CG2 4.2Å; V59-F128 HydrophobicContact CB-CE1 4.47Å; V59-F128 HydrophobicContact CG2-CD1 4.24Å; V59-F128 HydrophobicContact CG2-CE1 4.1Å | ||
| 60 | P | 83.9 | Confident | 82.3 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | trans | -55.5 | 131.8 | 178.6 | -26.2 | 33.1 | 0 | 0 | 0 | 113.4 | V62 L70 T96 L122 H126 | P60-V62 HydrophobicContact CB-CG1 4.37Å; P60-V62 PolarHBondContact O-N 2.66Å; P60-L70 HydrophobicContact CB-CD1 4.48Å; P60-L70 HydrophobicContact CG-CD1 4.24Å; P60-T96 PolarHBondContact O-OG1 3.03Å; P60-L122 HydrophobicContact CG-CD2 3.49Å; P60-L122 VanDerWaalsContact CG-CD2 3.49Å; P60-H126 HydrophobicContact CG-CB 4.35Å | ||
| 61 | Q | 85.3 | Confident | 83.2 | Confident | 126 Ų | 126 | 64.3 Ų | 64.3 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | trans | -78.1 | 115.4 | 174.5 | -60.8 | -179.1 | -4.7 | 0 | 0 | 109.9 | V59 T96 | V59-Q61 PolarHBondContact O-N 3.03Å; Q61-T96 WeakPolarHBondContact CA-OG1 3.36Å; Q61-T96 WeakPolarHBondContact CG-O 3.45Å | ||
| 62 | V | 83.6 | Confident | 83.9 | Confident | 22 Ų | 22 | 65.5 Ų | 65.5 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | trans | -130.4 | 148.5 | -175.9 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | P60 R66 L70 M95 T96 | P60-V62 HydrophobicContact CB-CG1 4.37Å; P60-V62 PolarHBondContact O-N 2.66Å; V62-R66 HydrophobicContact CB-CB 4.03Å; V62-R66 HydrophobicContact CG1-CB 4.26Å; V62-L70 HydrophobicContact CG2-CB 4.2Å; V62-L70 HydrophobicContact CG2-CD2 3.65Å; V62-M95 WeakPolarHBondContact O-CA 3.39Å; V62-T96 HydrophobicContact CG2-CG2 4.07Å; V62-T96 PolarHBondContact N-OG1 3.38Å; V62-T96 PolarHBondContact O-N 2.87Å; V62-T96 VanDerWaalsContact O-N 3.08Å | ||
| 63 | G | 83.6 | Confident | 84.1 | Confident | 23 Ų | 23 | 67.8 Ų | 67.8 | 24% | 0.237 | 34% | 0.341 | C | S | . | . | trans | -82.5 | 174 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E65 R66 L67 | G63-E65 VanDerWaalsContact C-N 3.29Å; G63-E65 PolarHBondContact O-N 3.08Å; G63-E65 VanDerWaalsContact O-N 3.14Å; G63-R66 PolarHBondContact O-N 2.89Å; G63-L67 PolarHBondContact O-N 3.42Å | ||
| 64 | P | 77.9 | Confident | 84.2 | Confident | 99 Ų | 99 | 66.5 Ų | 66.5 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.2 | -33.6 | -170.2 | 18.6 | -33.1 | 0 | 0 | 0 | 114.5 | R66 L67 G94 | P64-R66 PolarHBondContact O-N 3.24Å; P64-L67 PolarHBondContact O-N 3.44Å; P64-G94 VanDerWaalsContact CD-O 3.28Å; P64-G94 WeakPolarHBondContact CD-O 3.4Å |
| 65 | E | 78 | Confident | 84.2 | Confident | 185 Ų | 185 | 70.7 Ų | 70.7 | 86% | 0.864 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.8 | -21.6 | 178.4 | -62.5 | -173.2 | 165.5 | 0 | 0 | 114.3 | G63 | G63-E65 VanDerWaalsContact C-N 3.29Å; G63-E65 PolarHBondContact O-N 3.08Å; G63-E65 VanDerWaalsContact O-N 3.14Å |
| 66 | R | 81.4 | Confident | 84.1 | Confident | 173 Ų | 173 | 77.2 Ų | 77.2 | 65% | 0.653 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -113.3 | -6.5 | -177 | -68.1 | -176 | -177.8 | -170.6 | 1.6 | 113.2 | V62 G63 P64 E68 K69 L70 | V62-R66 HydrophobicContact CB-CB 4.03Å; V62-R66 HydrophobicContact CG1-CB 4.26Å; G63-R66 PolarHBondContact O-N 2.89Å; P64-R66 PolarHBondContact O-N 3.24Å; R66-E68 VanDerWaalsContact C-N 3.31Å; R66-E68 PolarHBondContact O-N 2.8Å; R66-K69 PolarHBondContact O-N 3.34Å; R66-L70 PolarHBondContact O-N 3.38Å; R66-L70 VanDerWaalsContact O-N 3.12Å |
| 67 | L | 80.6 | Confident | 84.1 | Confident | 27 Ų | 27 | 78 Ų | 78 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 179.4 | -168.6 | 107.8 | 0 | 0 | 0 | 111.8 | G63 P64 K69 L70 K71 E91 T96 | G63-L67 PolarHBondContact O-N 3.42Å; P64-L67 PolarHBondContact O-N 3.44Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.23Å; L67-L70 WeakPolarHBondContact O-CB 3.35Å; L67-L70 PolarHBondContact O-N 3.3Å; L67-L70 VanDerWaalsContact O-N 3.11Å; L67-K71 HydrophobicContact CD2-CD 4.19Å; L67-K71 WeakPolarHBondContact O-CG 3.46Å; L67-K71 PolarHBondContact O-N 3.29Å; L67-E91 WeakPolarHBondContact CD1-OE1 3.39Å; L67-T96 HydrophobicContact CD1-CG2 3.42Å; L67-T96 VanDerWaalsContact CD1-CG2 3.42Å |
| 68 | E | 84.4 | Confident | 84.2 | Confident | 148 Ų | 148 | 74.5 Ų | 74.5 | 69% | 0.692 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -68.5 | -29.2 | -177.1 | -161.6 | 160.4 | -164.1 | 0 | 0 | 113 | R66 N72 | R66-E68 VanDerWaalsContact C-N 3.31Å; R66-E68 PolarHBondContact O-N 2.8Å; E68-N72 PolarHBondContact O-N 3.47Å; E68-N72 PolarHBondContact O-ND2 3.3Å |
| 69 | K | 84.8 | Confident | 84.2 | Confident | 158 Ų | 158 | 73.6 Ų | 73.6 | 69% | 0.687 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -71.4 | -40.8 | 170.9 | -72.4 | -178.7 | -179.8 | 173.3 | 0 | 111.6 | R66 L67 N72 V73 | R66-K69 PolarHBondContact O-N 3.34Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.23Å; K69-N72 PolarHBondContact O-N 3.26Å; K69-V73 WeakPolarHBondContact O-CG2 3.33Å; K69-V73 PolarHBondContact O-N 3.33Å; K69-V73 VanDerWaalsContact O-N 3.17Å |
| 70 | L | 83.7 | Confident | 84.2 | Confident | 12 Ų | 12 | 81 Ų | 81 | 6% | 0.063 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 176.4 | 178.3 | 68.2 | 0 | 0 | 0 | 110.7 | V59 P60 V62 R66 L67 N72 V73 I74 Y89 | V59-L70 HydrophobicContact CG1-CD1 3.88Å; V59-L70 HydrophobicContact CG1-CD2 3.87Å; V59-L70 HydrophobicContact CG1-CG 4.31Å; P60-L70 HydrophobicContact CB-CD1 4.48Å; P60-L70 HydrophobicContact CG-CD1 4.24Å; V62-L70 HydrophobicContact CG2-CB 4.2Å; V62-L70 HydrophobicContact CG2-CD2 3.65Å; R66-L70 PolarHBondContact O-N 3.38Å; R66-L70 VanDerWaalsContact O-N 3.12Å; L67-L70 WeakPolarHBondContact O-CB 3.35Å; L67-L70 PolarHBondContact O-N 3.3Å; L67-L70 VanDerWaalsContact O-N 3.11Å; L70-N72 PolarHBondContact O-N 3.27Å; L70-V73 PolarHBondContact O-N 3.2Å; L70-V73 VanDerWaalsContact O-N 3.12Å; L70-I74 HydrophobicContact CD1-CG1 4.17Å; L70-I74 HydrophobicContact CG-CG1 4.29Å; L70-I74 WeakPolarHBondContact O-CG1 3.44Å; L70-I74 PolarHBondContact O-N 3.22Å; L70-Y89 HydrophobicContact CD2-CD1 4.44Å; L70-Y89 HydrophobicContact CD2-CE1 4.19Å; L70-Y89 HydrophobicContact CG-CE1 4.41Å |
| 71 | K | 85.5 | Confident | 84.2 | Confident | 62 Ų | 62 | 82 Ų | 82 | 27% | 0.27 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -53.5 | -50.3 | 174.9 | -75.8 | -176.4 | 165.8 | -149.1 | 0 | 112.6 | L67 V73 I74 H75 E87 Y89 | L67-K71 HydrophobicContact CD2-CD 4.19Å; L67-K71 WeakPolarHBondContact O-CG 3.46Å; L67-K71 PolarHBondContact O-N 3.29Å; K71-V73 VanDerWaalsContact C-N 3.29Å; K71-V73 PolarHBondContact O-N 2.9Å; K71-I74 PolarHBondContact O-N 3.11Å; K71-H75 VanDerWaalsContact O-CB 3.24Å; K71-H75 WeakPolarHBondContact O-CB 3.25Å; K71-H75 PolarHBondContact O-N 3.23Å; K71-E87 WeakPolarHBondContact CD-OE1 3.35Å; K71-E87 WeakPolarHBondContact CE-OE1 3.46Å; K71-E87 IonicContact NZ-OE1 3.82Å; K71-E87 PolarHBondContact NZ-OE1 3.09Å; K71-Y89 HydrophobicContact CD-CE2 4.23Å; K71-Y89 HydrophobicContact CG-CD2 4.26Å; K71-Y89 HydrophobicContact CG-CE1 4.29Å; K71-Y89 HydrophobicContact CG-CE2 3.64Å |
| 72 | N | 86.6 | Confident | 84.1 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.7 | -37.6 | 177.8 | -81.4 | -56.7 | 0 | 0 | 0 | 113.3 | E68 K69 L70 K76 | E68-N72 PolarHBondContact O-N 3.47Å; E68-N72 PolarHBondContact O-ND2 3.3Å; K69-N72 PolarHBondContact O-N 3.26Å; L70-N72 PolarHBondContact O-N 3.27Å; N72-K76 WeakPolarHBondContact O-CB 3.28Å; N72-K76 PolarHBondContact O-N 3.09Å |
| 73 | V | 86.4 | Confident | 84.1 | Confident | 63 Ų | 63 | 83.4 Ų | 83.4 | 38% | 0.382 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.7 | -47.7 | 178.2 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | K69 L70 K71 K76 I77 L122 | K69-V73 WeakPolarHBondContact O-CG2 3.33Å; K69-V73 PolarHBondContact O-N 3.33Å; K69-V73 VanDerWaalsContact O-N 3.17Å; L70-V73 PolarHBondContact O-N 3.2Å; L70-V73 VanDerWaalsContact O-N 3.12Å; K71-V73 VanDerWaalsContact C-N 3.29Å; K71-V73 PolarHBondContact O-N 2.9Å; V73-K76 PolarHBondContact O-N 3.18Å; V73-I77 HydrophobicContact CG1-CD1 3.82Å; V73-I77 WeakPolarHBondContact O-CD1 3.24Å; V73-I77 WeakPolarHBondContact O-CG1 3.02Å; V73-I77 PolarHBondContact O-N 3.46Å; V73-I77 VanDerWaalsContact O-N 3.11Å; V73-L122 HydrophobicContact CG1-CD1 3.74Å |
| 74 | I | 86.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 176.2 | -66.4 | -61.7 | 0 | 0 | 0 | 110.1 | V59 L70 K71 K76 I77 F78 Y89 I100 L102 F128 | V59-I74 HydrophobicContact CG1-CD1 4.26Å; L70-I74 HydrophobicContact CD1-CG1 4.17Å; L70-I74 HydrophobicContact CG-CG1 4.29Å; L70-I74 WeakPolarHBondContact O-CG1 3.44Å; L70-I74 PolarHBondContact O-N 3.22Å; K71-I74 PolarHBondContact O-N 3.11Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 3.31Å; I74-I77 PolarHBondContact O-N 3.08Å; I74-F78 HydrophobicContact CD1-CE2 4.27Å; I74-F78 HydrophobicContact CG2-CD2 3.74Å; I74-F78 HydrophobicContact CG2-CE2 4.28Å; I74-F78 WeakPolarHBondContact O-CD2 3.38Å; I74-F78 PolarHBondContact O-N 2.83Å; I74-Y89 WeakPolarHBondContact CB-OH 3.4Å; I74-Y89 WeakPolarHBondContact CG2-OH 3.4Å; I74-I100 HydrophobicContact CB-CD1 4.38Å; I74-I100 HydrophobicContact CD1-CD1 3.97Å; I74-I100 HydrophobicContact CG1-CD1 4Å; I74-I100 HydrophobicContact CG2-CD1 3.51Å; I74-L102 HydrophobicContact CG2-CD1 4.08Å; I74-L102 HydrophobicContact CG2-CD2 4.15Å; I74-F128 HydrophobicContact CD1-CE1 4.23Å; I74-F128 HydrophobicContact CD1-CE2 4.15Å; I74-F128 HydrophobicContact CD1-CZ 3.58Å |
| 75 | H | 87.1 | Confident | 84.4 | Confident | 88 Ų | 88 | 82.6 Ų | 82.6 | 41% | 0.407 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 178.1 | -169.1 | -81.7 | 0 | 0 | 0 | 111.2 | K71 I77 S79 | K71-H75 VanDerWaalsContact O-CB 3.24Å; K71-H75 WeakPolarHBondContact O-CB 3.25Å; K71-H75 PolarHBondContact O-N 3.23Å; H75-I77 VanDerWaalsContact C-N 3.32Å; H75-I77 PolarHBondContact O-N 2.96Å; H75-S79 PolarHBondContact CE1-OG 2.9Å; H75-S79 PolarHBondContact ND1-OG 3.08Å; H75-S79 VanDerWaalsContact ND1-OG 3.08Å; H75-S79 WeakPolarHBondContact O-CB 3.36Å; H75-S79 PolarHBondContact O-N 2.89Å; H75-S79 PolarHBondContact O-OG 2.96Å |
| 76 | K | 86.4 | Confident | 84.6 | Confident | 164 Ų | 164 | 77 Ų | 77 | 71% | 0.713 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.4 | -31.6 | 177.5 | -172.1 | 174.4 | -176.3 | 176.6 | 0 | 113.9 | N72 V73 I74 | N72-K76 WeakPolarHBondContact O-CB 3.28Å; N72-K76 PolarHBondContact O-N 3.09Å; V73-K76 PolarHBondContact O-N 3.18Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 3.31Å |
| 77 | I | 85.3 | Confident | 84.8 | Confident | 18 Ų | 18 | 71.9 Ų | 71.9 | 9% | 0.092 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -78.2 | -49.3 | 179.6 | -70.6 | 161 | 0 | 0 | 0 | 110.1 | V73 I74 H75 F81 Y120 L122 F128 | V73-I77 HydrophobicContact CG1-CD1 3.82Å; V73-I77 WeakPolarHBondContact O-CD1 3.24Å; V73-I77 WeakPolarHBondContact O-CG1 3.02Å; V73-I77 PolarHBondContact O-N 3.46Å; V73-I77 VanDerWaalsContact O-N 3.11Å; I74-I77 PolarHBondContact O-N 3.08Å; H75-I77 VanDerWaalsContact C-N 3.32Å; H75-I77 PolarHBondContact O-N 2.96Å; I77-F81 WeakPolarHBondContact O-CE2 3.45Å; I77-Y120 HydrophobicContact CD1-CE1 3.78Å; I77-Y120 HydrophobicContact CG1-CE1 4.3Å; I77-Y120 HydrophobicContact CG2-CE1 4.49Å; I77-L122 HydrophobicContact CD1-CD1 3.8Å; I77-F128 HydrophobicContact CD1-CE2 4.11Å |
| 78 | F | 86.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -86.6 | -22.8 | -171.1 | -75 | -81.2 | 0 | 0 | 0 | 114.1 | V56 I74 K80 F81 I84 L102 Y104 A117 F128 V130 | V56-F78 HydrophobicContact CB-CZ 4.3Å; V56-F78 HydrophobicContact CG1-CE2 4.28Å; V56-F78 HydrophobicContact CG1-CZ 3.88Å; V56-F78 HydrophobicContact CG2-CE1 3.78Å; V56-F78 HydrophobicContact CG2-CE2 4.08Å; V56-F78 HydrophobicContact CG2-CZ 3.43Å; V56-F78 VanDerWaalsContact CG2-CZ 3.43Å; I74-F78 HydrophobicContact CD1-CE2 4.27Å; I74-F78 HydrophobicContact CG2-CD2 3.74Å; I74-F78 HydrophobicContact CG2-CE2 4.28Å; I74-F78 WeakPolarHBondContact O-CD2 3.38Å; I74-F78 PolarHBondContact O-N 2.83Å; F78-K80 PolarHBondContact O-N 3.41Å; F78-F81 HydrophobicContact CD1-CD2 4.36Å; F78-F81 PolarHBondContact O-N 2.99Å; F78-F81 VanDerWaalsContact O-N 3.12Å; F78-I84 HydrophobicContact CB-CD1 3.9Å; F78-L102 HydrophobicContact CB-CD1 3.79Å; F78-L102 HydrophobicContact CD1-CD1 3.76Å; F78-L102 HydrophobicContact CD2-CD1 3.69Å; F78-L102 HydrophobicContact CE1-CD1 4.23Å; F78-L102 HydrophobicContact CE2-CD1 4.19Å; F78-L102 HydrophobicContact CG-CD1 3.45Å; F78-L102 VanDerWaalsContact CG-CD1 3.45Å; F78-L102 HydrophobicContact CZ-CD1 4.43Å; F78-Y104 WeakPolarHBondContact CB-OH 3.5Å; F78-Y104 WeakPolarHBondContact CD1-OH 3.49Å; F78-Y104 PolarHBondContact O-OH 3.39Å; F78-A117 HydrophobicContact CD1-CB 4.37Å; F78-A117 HydrophobicContact CE1-CB 3.6Å; F78-A117 HydrophobicContact CZ-CB 4.06Å; F78-F128 HydrophobicContact CE2-CD2 4.31Å; F78-F128 HydrophobicContact CE2-CE2 4.24Å; F78-F128 HydrophobicContact CZ-CD2 4.37Å; F78-V130 HydrophobicContact CE1-CG1 4.45Å; F78-V130 HydrophobicContact CE1-CG2 4.3Å; F78-V130 HydrophobicContact CZ-CG2 4.19Å |
| 79 | S | 85.8 | Confident | 85.2 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -10.8 | 173.1 | -64.7 | 0 | 0 | 0 | 0 | 114.3 | H75 F81 G82 | H75-S79 PolarHBondContact CE1-OG 2.9Å; H75-S79 PolarHBondContact ND1-OG 3.08Å; H75-S79 VanDerWaalsContact ND1-OG 3.08Å; H75-S79 WeakPolarHBondContact O-CB 3.36Å; H75-S79 PolarHBondContact O-N 2.89Å; H75-S79 PolarHBondContact O-OG 2.96Å; S79-F81 VanDerWaalsContact C-N 3.29Å; S79-G82 WeakPolarHBondContact CA-O 3.41Å |
| 80 | K | 85.3 | Confident | 85.2 | Confident | 159 Ų | 159 | 63.5 Ų | 63.5 | 69% | 0.691 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -24 | 175.2 | -65.8 | -179.9 | -178.3 | 177.8 | 0 | 112.8 | F78 | F78-K80 PolarHBondContact O-N 3.41Š|
| 81 | F | 83.4 | Confident | 85.2 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 18% | 0.18 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -16.8 | -174.1 | -51.3 | -65.6 | 0 | 0 | 0 | 112.5 | I77 F78 S79 A113 N116 A117 | I77-F81 WeakPolarHBondContact O-CE2 3.45Å; F78-F81 HydrophobicContact CD1-CD2 4.36Å; F78-F81 PolarHBondContact O-N 2.99Å; F78-F81 VanDerWaalsContact O-N 3.12Å; S79-F81 VanDerWaalsContact C-N 3.29Å; F81-A113 HydrophobicContact CB-CB 3.89Å; F81-A113 HydrophobicContact CD2-CB 4.16Å; F81-A113 HydrophobicContact CG-CB 4.17Å; F81-N116 HydrophobicContact CD1-CB 4.19Å; F81-N116 HydrophobicContact CE1-CB 3.49Å; F81-N116 VanDerWaalsContact CE1-CB 3.49Å; F81-N116 HydrophobicContact CZ-CB 3.96Å; F81-A117 HydrophobicContact CE2-CB 3.99Å; F81-A117 HydrophobicContact CZ-CB 4.39Å |
| 82 | G | 82.8 | Confident | 84.8 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 174.2 | 173.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | S79 | S79-G82 WeakPolarHBondContact CA-O 3.41Š|
| 83 | K | 83.8 | Confident | 84.1 | Confident | 164 Ų | 164 | 70 Ų | 70 | 71% | 0.713 | 35% | 0.354 | S | S | * | . | trans | -81.8 | 120.9 | 172.6 | -174.5 | -177.6 | 175.7 | -170.9 | 0 | 108.3 | A105 | K83-A105 PolarHBondContact O-N 3.11Š| ||
| 84 | I | 84.4 | Confident | 83.4 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.9 | 175.2 | -55.5 | 170.3 | 0 | 0 | 0 | 107.7 | F78 T86 E87 L102 Y104 | F78-I84 HydrophobicContact CB-CD1 3.9Å; I84-T86 WeakPolarHBondContact CG2-O 3.42Å; I84-E87 HydrophobicContact CG2-CB 4.43Å; I84-L102 HydrophobicContact CD1-CD2 4.5Å; I84-L102 HydrophobicContact CG2-CD2 4.28Å; I84-Y104 HydrophobicContact CG1-CE1 4.1Å |
| 85 | T | 83.8 | Confident | 83 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 52% | 0.515 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -50.2 | 180 | -50.3 | 0 | 0 | 0 | 0 | 110.1 | E103 A105 | T85-E103 PolarHBondContact N-O 3.17Å; T85-A105 PolarHBondContact OG1-N 3.23Å |
| 86 | T | 82.6 | Confident | 82.8 | Confident | 68 Ų | 68 | 69.6 Ų | 69.6 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.2 | 176.7 | 72.7 | 0 | 0 | 0 | 0 | 110.3 | I84 E103 | I84-T86 WeakPolarHBondContact CG2-O 3.42Å; T86-E103 WeakPolarHBondContact CB-OE2 3.31Å; T86-E103 VanDerWaalsContact CG2-OE2 3.24Å; T86-E103 WeakPolarHBondContact CG2-OE2 3.44Å; T86-E103 PolarHBondContact O-N 3.46Å; T86-E103 WeakPolarHBondContact OG1-CB 3.1Å; T86-E103 PolarHBondContact OG1-OE2 3.12Å |
| 87 | E | 86.1 | Confident | 82.4 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 124.6 | 174.8 | 52.9 | 163.8 | -138.7 | 0 | 0 | 108.8 | K71 I84 Y89 L102 | K71-E87 WeakPolarHBondContact CD-OE1 3.35Å; K71-E87 WeakPolarHBondContact CE-OE1 3.46Å; K71-E87 IonicContact NZ-OE1 3.82Å; K71-E87 PolarHBondContact NZ-OE1 3.09Å; I84-E87 HydrophobicContact CG2-CB 4.43Å; E87-Y89 HydrophobicContact CB-CE2 3.95Å; E87-Y89 HydrophobicContact CG-CE2 4.23Å; E87-L102 HydrophobicContact CB-CD2 4.02Å |
| 88 | F | 86.5 | Confident | 82.2 | Confident | 128 Ų | 128 | 66 Ų | 66 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126 | 179.4 | -172 | -108.5 | 0 | 0 | 0 | 110.7 | P90 F101 | F88-P90 HydrophobicContact CD1-CG 3.92Å; F88-P90 HydrophobicContact CE1-CB 4.35Å; F88-P90 HydrophobicContact CE1-CG 3.81Å; F88-P90 WeakPolarHBondContact O-CD 3.47Å; F88-F101 HydrophobicContact CB-CB 4.26Å; F88-F101 AromaticContact CD1-CD2 3.83Å; F88-F101 HydrophobicContact CD1-CD2 3.83Å; F88-F101 HydrophobicContact CD1-CE2 4.37Å; F88-F101 PolarHBondContact N-O 3.29Å; F88-F101 PolarHBondContact O-N 2.91Å |
| 89 | Y | 86.6 | Confident | 82.2 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 7% | 0.071 | 36% | 0.361 | C | S | . | . | trans | -116.5 | 99.3 | -179.6 | -69.1 | -100.3 | 0 | 0 | 0 | 108.7 | L70 K71 I74 E87 E91 I100 | L70-Y89 HydrophobicContact CD2-CD1 4.44Å; L70-Y89 HydrophobicContact CD2-CE1 4.19Å; L70-Y89 HydrophobicContact CG-CE1 4.41Å; K71-Y89 HydrophobicContact CD-CE2 4.23Å; K71-Y89 HydrophobicContact CG-CD2 4.26Å; K71-Y89 HydrophobicContact CG-CE1 4.29Å; K71-Y89 HydrophobicContact CG-CE2 3.64Å; I74-Y89 WeakPolarHBondContact CB-OH 3.4Å; I74-Y89 WeakPolarHBondContact CG2-OH 3.4Å; E87-Y89 HydrophobicContact CB-CE2 3.95Å; E87-Y89 HydrophobicContact CG-CE2 4.23Å; Y89-E91 PolarHBondContact O-N 2.87Å; Y89-I100 HydrophobicContact CD1-CB 4.27Å; Y89-I100 HydrophobicContact CD1-CG2 3.31Å; Y89-I100 HydrophobicContact CE1-CB 4.24Å; Y89-I100 HydrophobicContact CE1-CD1 4.24Å; Y89-I100 HydrophobicContact CE1-CG2 3.45Å; Y89-I100 VanDerWaalsContact CE1-CG2 3.45Å; Y89-I100 HydrophobicContact CG-CG2 4.1Å | ||
| 90 | P | 84.6 | Confident | 82.4 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 7% | 0.071 | 35% | 0.346 | C | S | . | . | trans | -63.5 | 127.5 | 176.6 | -22.2 | 33.1 | 0 | 0 | 0 | 111.8 | F88 T96 K97 Y99 F101 | F88-P90 HydrophobicContact CD1-CG 3.92Å; F88-P90 HydrophobicContact CE1-CB 4.35Å; F88-P90 HydrophobicContact CE1-CG 3.81Å; F88-P90 WeakPolarHBondContact O-CD 3.47Å; P90-T96 WeakPolarHBondContact O-CA 3.36Å; P90-K97 HydrophobicContact CB-CB 4.44Å; P90-K97 HydrophobicContact CB-CD 4.22Å; P90-K97 HydrophobicContact CB-CG 4.49Å; P90-K97 PolarHBondContact O-N 3.12Å; P90-Y99 HydrophobicContact CB-CE2 3.89Å; P90-Y99 WeakPolarHBondContact CD-O 3.42Å; P90-Y99 HydrophobicContact CG-CD2 3.87Å; P90-Y99 HydrophobicContact CG-CE2 3.48Å; P90-Y99 VanDerWaalsContact CG-CE2 3.48Å; P90-F101 HydrophobicContact CG-CD2 4.02Å; P90-F101 HydrophobicContact CG-CE2 3.73Å | ||
| 91 | E | 83.6 | Confident | 82.6 | Confident | 105 Ų | 105 | 62.4 Ų | 62.4 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.7 | 177.4 | -63.3 | -179.2 | -176.8 | 0 | 0 | 110.8 | L67 Y89 M95 | L67-E91 WeakPolarHBondContact CD1-OE1 3.39Å; Y89-E91 PolarHBondContact O-N 2.87Å; E91-M95 WeakPolarHBondContact CA-O 3.43Å |
| 92 | A | 75.9 | Confident | 82.8 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 138.6 | 163 | 0 | 0 | 0 | 0 | 0 | 109.3 | G94 M95 K97 | A92-G94 PolarHBondContact O-N 3.22Å; A92-G94 VanDerWaalsContact O-N 3.09Å; A92-M95 PolarHBondContact N-O 3.04Å; A92-M95 PolarHBondContact O-N 3Å; A92-K97 HydrophobicContact CB-CD 4.22Å; A92-K97 HydrophobicContact CB-CG 4Å |
| 93 | D | 73.4 | Confident | 83.1 | Confident | 175 Ų | 175 | 62.7 Ų | 62.7 | 94% | 0.936 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 33.2 | 178.8 | -55.7 | -33.3 | 0 | 0 | 0 | 114 | M95 | D93-M95 VanDerWaalsContact C-N 3.33Å; D93-M95 PolarHBondContact O-N 3.14Å |
| 94 | G | 71.4 | Confident | 83.2 | Confident | 43 Ų | 43 | 55 Ų | 55 | 44% | 0.443 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 11.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P64 A92 | P64-G94 VanDerWaalsContact CD-O 3.28Å; P64-G94 WeakPolarHBondContact CD-O 3.4Å; A92-G94 PolarHBondContact O-N 3.22Å; A92-G94 VanDerWaalsContact O-N 3.09Å |
| 95 | M | 78.6 | Confident | 83.2 | Confident | 94 Ų | 94 | 57.3 Ų | 57.3 | 46% | 0.463 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.5 | 171.5 | -64.2 | -136.8 | -66.2 | 0 | 0 | 112.1 | V62 E91 A92 D93 | V62-M95 WeakPolarHBondContact O-CA 3.39Å; E91-M95 WeakPolarHBondContact CA-O 3.43Å; A92-M95 PolarHBondContact N-O 3.04Å; A92-M95 PolarHBondContact O-N 3Å; D93-M95 VanDerWaalsContact C-N 3.33Å; D93-M95 PolarHBondContact O-N 3.14Å |
| 96 | T | 82.9 | Confident | 83.2 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 139.2 | 176.2 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | P60 Q61 V62 L67 P90 G98 | P60-T96 PolarHBondContact O-OG1 3.03Å; Q61-T96 WeakPolarHBondContact CA-OG1 3.36Å; Q61-T96 WeakPolarHBondContact CG-O 3.45Å; V62-T96 HydrophobicContact CG2-CG2 4.07Å; V62-T96 PolarHBondContact N-OG1 3.38Å; V62-T96 PolarHBondContact O-N 2.87Å; V62-T96 VanDerWaalsContact O-N 3.08Å; L67-T96 HydrophobicContact CD1-CG2 3.42Å; L67-T96 VanDerWaalsContact CD1-CG2 3.42Å; P90-T96 WeakPolarHBondContact O-CA 3.36Å; T96-G98 PolarHBondContact O-N 3.03Å; T96-G98 VanDerWaalsContact O-N 3.09Å |
| 97 | K | 77.9 | Confident | 83.2 | Confident | 99 Ų | 99 | 54.2 Ų | 54.2 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | trans | -73 | 1.7 | -175.8 | -68.2 | -174.4 | 175.5 | 177 | 0 | 115.6 | P90 A92 Y99 | P90-K97 HydrophobicContact CB-CB 4.44Å; P90-K97 HydrophobicContact CB-CD 4.22Å; P90-K97 HydrophobicContact CB-CG 4.49Å; P90-K97 PolarHBondContact O-N 3.12Å; A92-K97 HydrophobicContact CB-CD 4.22Å; A92-K97 HydrophobicContact CB-CG 4Å; K97-Y99 VanDerWaalsContact C-N 3.33Å; K97-Y99 HydrophobicContact CB-CD1 3.98Å; K97-Y99 HydrophobicContact CB-CE1 3.46Å; K97-Y99 VanDerWaalsContact CB-CE1 3.46Å; K97-Y99 HydrophobicContact CD-CE1 4.12Å; K97-Y99 VanDerWaalsContact CD-OH 3.3Å; K97-Y99 WeakPolarHBondContact CD-OH 3.35Å; K97-Y99 HydrophobicContact CG-CE1 4.44Å | ||
| 98 | G | 80.3 | Confident | 83.1 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 81.9 | 7.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | N58 V59 T96 | N58-G98 PolarHBondContact N-O 3.11Å; V59-G98 PolarHBondContact N-O 3.28Å; V59-G98 VanDerWaalsContact O-CA 3.24Å; V59-G98 WeakPolarHBondContact O-CA 3.34Å; T96-G98 PolarHBondContact O-N 3.03Å; T96-G98 VanDerWaalsContact O-N 3.09Å |
| 99 | Y | 87 | Confident | 83.1 | Confident | 80 Ų | 80 | 52.7 Ų | 52.7 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 155.9 | 166 | 56.6 | -89.9 | 0 | 0 | 0 | 109.5 | V56 P90 K97 F101 | V56-Y99 CarbonylContact O-C 3.5Å; V56-Y99 WeakPolarHBondContact O-CA 3.08Å; P90-Y99 HydrophobicContact CB-CE2 3.89Å; P90-Y99 WeakPolarHBondContact CD-O 3.42Å; P90-Y99 HydrophobicContact CG-CD2 3.87Å; P90-Y99 HydrophobicContact CG-CE2 3.48Å; P90-Y99 VanDerWaalsContact CG-CE2 3.48Å; K97-Y99 VanDerWaalsContact C-N 3.33Å; K97-Y99 HydrophobicContact CB-CD1 3.98Å; K97-Y99 HydrophobicContact CB-CE1 3.46Å; K97-Y99 VanDerWaalsContact CB-CE1 3.46Å; K97-Y99 HydrophobicContact CD-CE1 4.12Å; K97-Y99 VanDerWaalsContact CD-OH 3.3Å; K97-Y99 WeakPolarHBondContact CD-OH 3.35Å; K97-Y99 HydrophobicContact CG-CE1 4.44Å; Y99-F101 AromaticContact CD2-CE2 3.85Å; Y99-F101 HydrophobicContact CD2-CE2 3.85Å; Y99-F101 HydrophobicContact CD2-CZ 4.13Å; Y99-F101 AromaticContact CE2-CE2 3.82Å; Y99-F101 HydrophobicContact CE2-CE2 3.82Å; Y99-F101 HydrophobicContact CE2-CZ 4.11Å |
| 100 | I | 89.6 | Confident | 82.8 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.8 | -179.2 | 65.9 | 175.3 | 0 | 0 | 0 | 110 | V56 V59 I74 Y89 L102 | V56-I100 HydrophobicContact CB-CD1 4.13Å; V56-I100 HydrophobicContact CB-CG1 3.65Å; V56-I100 HydrophobicContact CG1-CG1 4.43Å; V56-I100 HydrophobicContact CG2-CD1 4.44Å; V56-I100 HydrophobicContact CG2-CG1 4.22Å; V56-I100 PolarHBondContact N-O 3.05Å; V56-I100 PolarHBondContact O-N 3.32Å; V59-I100 HydrophobicContact CB-CG2 4.42Å; V59-I100 HydrophobicContact CG1-CG2 4.26Å; V59-I100 HydrophobicContact CG2-CD1 4.21Å; V59-I100 HydrophobicContact CG2-CG1 4.03Å; V59-I100 HydrophobicContact CG2-CG2 4.2Å; I74-I100 HydrophobicContact CB-CD1 4.38Å; I74-I100 HydrophobicContact CD1-CD1 3.97Å; I74-I100 HydrophobicContact CG1-CD1 4Å; I74-I100 HydrophobicContact CG2-CD1 3.51Å; Y89-I100 HydrophobicContact CD1-CB 4.27Å; Y89-I100 HydrophobicContact CD1-CG2 3.31Å; Y89-I100 HydrophobicContact CE1-CB 4.24Å; Y89-I100 HydrophobicContact CE1-CD1 4.24Å; Y89-I100 HydrophobicContact CE1-CG2 3.45Å; Y89-I100 VanDerWaalsContact CE1-CG2 3.45Å; Y89-I100 HydrophobicContact CG-CG2 4.1Å; I100-L102 HydrophobicContact CD1-CD1 4.3Å; I100-L102 HydrophobicContact CD1-CD2 4.32Å; I100-L102 HydrophobicContact CD1-CG 4.25Å |
| 101 | F | 89.3 | Confident | 82.8 | Confident | 50 Ų | 50 | 55 Ų | 55 | 22% | 0.219 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.5 | 173.5 | -56.5 | -91.8 | 0 | 0 | 0 | 109.6 | V53 V54 V55 F88 P90 Y99 F133 | V53-F101 HydrophobicContact CG1-CB 4.26Å; V53-F101 HydrophobicContact CG1-CD1 4.14Å; V54-F101 WeakPolarHBondContact O-CA 3.47Å; V55-F101 HydrophobicContact CG1-CE1 4.22Å; V55-F101 HydrophobicContact CG2-CD1 3.77Å; V55-F101 HydrophobicContact CG2-CE1 3.66Å; F88-F101 HydrophobicContact CB-CB 4.26Å; F88-F101 AromaticContact CD1-CD2 3.83Å; F88-F101 HydrophobicContact CD1-CD2 3.83Å; F88-F101 HydrophobicContact CD1-CE2 4.37Å; F88-F101 PolarHBondContact N-O 3.29Å; F88-F101 PolarHBondContact O-N 2.91Å; P90-F101 HydrophobicContact CG-CD2 4.02Å; P90-F101 HydrophobicContact CG-CE2 3.73Å; Y99-F101 AromaticContact CD2-CE2 3.85Å; Y99-F101 HydrophobicContact CD2-CE2 3.85Å; Y99-F101 HydrophobicContact CD2-CZ 4.13Å; Y99-F101 AromaticContact CE2-CE2 3.82Å; Y99-F101 HydrophobicContact CE2-CE2 3.82Å; Y99-F101 HydrophobicContact CE2-CZ 4.11Å; F101-F133 HydrophobicContact CD1-CD2 4.22Å; F101-F133 AromaticContact CE1-CD2 3.9Å; F101-F133 HydrophobicContact CE1-CD2 3.9Å; F101-F133 AromaticContact CE1-CE2 3.93Å; F101-F133 HydrophobicContact CE1-CE2 3.93Å |
| 102 | L | 88.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.4 | 176.7 | -61.9 | 176.4 | 0 | 0 | 0 | 108.5 | V54 V56 I74 F78 I84 E87 I100 | V54-L102 PolarHBondContact N-O 3.12Å; V54-L102 PolarHBondContact O-N 2.91Å; V56-L102 HydrophobicContact CG2-CD1 4.05Å; I74-L102 HydrophobicContact CG2-CD1 4.08Å; I74-L102 HydrophobicContact CG2-CD2 4.15Å; F78-L102 HydrophobicContact CB-CD1 3.79Å; F78-L102 HydrophobicContact CD1-CD1 3.76Å; F78-L102 HydrophobicContact CD2-CD1 3.69Å; F78-L102 HydrophobicContact CE1-CD1 4.23Å; F78-L102 HydrophobicContact CE2-CD1 4.19Å; F78-L102 HydrophobicContact CG-CD1 3.45Å; F78-L102 VanDerWaalsContact CG-CD1 3.45Å; F78-L102 HydrophobicContact CZ-CD1 4.43Å; I84-L102 HydrophobicContact CD1-CD2 4.5Å; I84-L102 HydrophobicContact CG2-CD2 4.28Å; E87-L102 HydrophobicContact CB-CD2 4.02Å; I100-L102 HydrophobicContact CD1-CD1 4.3Å; I100-L102 HydrophobicContact CD1-CD2 4.32Å; I100-L102 HydrophobicContact CD1-CG 4.25Å |
| 103 | E | 88 | Confident | 83.2 | Confident | 59 Ų | 59 | 53.1 Ų | 53.1 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.7 | 175 | -168.4 | -176.7 | 179.1 | 0 | 0 | 109.6 | V53 T85 T86 | V53-E103 HydrophobicContact CG2-CB 4.41Å; V53-E103 HydrophobicContact CG2-CG 4.14Å; T85-E103 PolarHBondContact N-O 3.17Å; T86-E103 WeakPolarHBondContact CB-OE2 3.31Å; T86-E103 VanDerWaalsContact CG2-OE2 3.24Å; T86-E103 WeakPolarHBondContact CG2-OE2 3.44Å; T86-E103 PolarHBondContact O-N 3.46Å; T86-E103 WeakPolarHBondContact OG1-CB 3.1Å; T86-E103 PolarHBondContact OG1-OE2 3.12Å |
| 104 | Y | 87.1 | Confident | 83.7 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 158.7 | 173.4 | -72 | -81.6 | 0 | 0 | 0 | 111.5 | S52 V54 F78 I84 A106 Q109 A110 A113 | S52-Y104 WeakPolarHBondContact CB-O 3.3Å; S52-Y104 PolarHBondContact O-N 2.96Å; V54-Y104 HydrophobicContact CB-CE2 4.37Å; V54-Y104 HydrophobicContact CG2-CD2 3.96Å; V54-Y104 HydrophobicContact CG2-CE2 3.82Å; F78-Y104 WeakPolarHBondContact CB-OH 3.5Å; F78-Y104 WeakPolarHBondContact CD1-OH 3.49Å; F78-Y104 PolarHBondContact O-OH 3.39Å; I84-Y104 HydrophobicContact CG1-CE1 4.1Å; Y104-A106 PolarHBondContact O-N 3.03Å; Y104-Q109 HydrophobicContact CD1-CB 4.02Å; Y104-Q109 HydrophobicContact CG-CB 4.04Å; Y104-A110 HydrophobicContact CD2-CB 3.96Å; Y104-A113 HydrophobicContact CE2-CB 3.77Å; Y104-A113 WeakPolarHBondContact OH-CB 3.06Å |
| 105 | A | 84 | Confident | 84.3 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -68.5 | -18.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K83 T85 | K83-A105 PolarHBondContact O-N 3.11Å; T85-A105 PolarHBondContact OG1-N 3.23Å |
| 106 | A | 83.7 | Confident | 84.5 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -141.4 | 140.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y104 T108 Q109 A110 | Y104-A106 PolarHBondContact O-N 3.03Å; A106-T108 PolarHBondContact O-N 3.09Å; A106-Q109 HydrophobicContact CB-CG 4.23Å; A106-Q109 WeakPolarHBondContact O-CB 3.32Å; A106-Q109 PolarHBondContact O-N 2.81Å; A106-Q109 VanDerWaalsContact O-N 3.08Å; A106-A110 PolarHBondContact O-N 2.92Å |
| 107 | P | 83.1 | Confident | 84.5 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.5 | -33.1 | 177.5 | -25.2 | 32 | 0 | 0 | 0 | 113.8 | D51 S52 Q109 A110 V111 | D51-P107 HydrophobicContact CB-CB 4.13Å; D51-P107 HydrophobicContact CB-CG 4.25Å; S52-P107 WeakPolarHBondContact OG-CD 3.19Å; S52-P107 WeakPolarHBondContact OG-CG 3.41Å; P107-Q109 VanDerWaalsContact C-N 3.26Å; P107-Q109 PolarHBondContact O-N 2.88Å; P107-A110 WeakPolarHBondContact O-CB 3.29Å; P107-A110 PolarHBondContact O-N 3.32Å; P107-V111 WeakPolarHBondContact O-CG2 3.45Å; P107-V111 PolarHBondContact O-N 3.38Å; P107-V111 VanDerWaalsContact O-N 3.09Å |
| 108 | T | 83.6 | Confident | 84.7 | Confident | 106 Ų | 106 | 50.8 Ų | 50.8 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.9 | -32.7 | 178.4 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | A106 E112 | A106-T108 PolarHBondContact O-N 3.09Å; T108-E112 WeakPolarHBondContact O-CB 3.41Å; T108-E112 PolarHBondContact O-N 2.97Å; T108-E112 VanDerWaalsContact O-N 3.09Å |
| 109 | Q | 85.6 | Confident | 84.7 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.9 | -36.6 | 176.6 | -64 | 175.6 | -3.4 | 0 | 0 | 111.4 | Y104 A106 P107 E112 A113 | Y104-Q109 HydrophobicContact CD1-CB 4.02Å; Y104-Q109 HydrophobicContact CG-CB 4.04Å; A106-Q109 HydrophobicContact CB-CG 4.23Å; A106-Q109 WeakPolarHBondContact O-CB 3.32Å; A106-Q109 PolarHBondContact O-N 2.81Å; A106-Q109 VanDerWaalsContact O-N 3.08Å; P107-Q109 VanDerWaalsContact C-N 3.26Å; P107-Q109 PolarHBondContact O-N 2.88Å; Q109-E112 PolarHBondContact O-N 2.94Å; Q109-A113 VanDerWaalsContact O-CB 3.32Å; Q109-A113 WeakPolarHBondContact O-CB 3.45Å; Q109-A113 PolarHBondContact O-N 3.07Å |
| 110 | A | 81.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V54 Y104 A106 P107 A113 V114 L132 | V54-A110 HydrophobicContact CG2-CB 3.49Å; V54-A110 VanDerWaalsContact CG2-CB 3.49Å; Y104-A110 HydrophobicContact CD2-CB 3.96Å; A106-A110 PolarHBondContact O-N 2.92Å; P107-A110 WeakPolarHBondContact O-CB 3.29Å; P107-A110 PolarHBondContact O-N 3.32Å; A110-A113 PolarHBondContact O-N 3.14Å; A110-V114 VanDerWaalsContact O-CG2 3.29Å; A110-V114 WeakPolarHBondContact O-CG2 3.42Å; A110-V114 PolarHBondContact O-N 3.38Å; A110-L132 HydrophobicContact CB-CD2 4Å |
| 111 | V | 83.2 | Confident | 84.2 | Confident | 79 Ų | 79 | 61 Ų | 61 | 48% | 0.479 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 175.9 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | P107 V114 K115 L132 | P107-V111 WeakPolarHBondContact O-CG2 3.45Å; P107-V111 PolarHBondContact O-N 3.38Å; P107-V111 VanDerWaalsContact O-N 3.09Å; V111-V114 PolarHBondContact O-N 3.04Å; V111-K115 WeakPolarHBondContact O-CB 3.24Å; V111-K115 PolarHBondContact O-N 3.43Å; V111-L132 HydrophobicContact CG2-CD1 4.21Å |
| 112 | E | 84.1 | Confident | 83.8 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67 | -37.5 | 177.5 | -171.1 | 171.8 | -173.7 | 0 | 0 | 112.2 | T108 Q109 N116 | T108-E112 WeakPolarHBondContact O-CB 3.41Å; T108-E112 PolarHBondContact O-N 2.97Å; T108-E112 VanDerWaalsContact O-N 3.09Å; Q109-E112 PolarHBondContact O-N 2.94Å; E112-N116 WeakPolarHBondContact CG-ND2 3.42Å; E112-N116 WeakPolarHBondContact O-CB 3.41Å; E112-N116 PolarHBondContact O-N 2.9Å; E112-N116 VanDerWaalsContact O-N 3.14Å; E112-N116 PolarHBondContact O-ND2 3.09Å; E112-N116 VanDerWaalsContact O-ND2 3.07Å |
| 113 | A | 84.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F81 Y104 Q109 A110 N116 A117 | F81-A113 HydrophobicContact CB-CB 3.89Å; F81-A113 HydrophobicContact CD2-CB 4.16Å; F81-A113 HydrophobicContact CG-CB 4.17Å; Y104-A113 HydrophobicContact CE2-CB 3.77Å; Y104-A113 WeakPolarHBondContact OH-CB 3.06Å; Q109-A113 VanDerWaalsContact O-CB 3.32Å; Q109-A113 WeakPolarHBondContact O-CB 3.45Å; Q109-A113 PolarHBondContact O-N 3.07Å; A110-A113 PolarHBondContact O-N 3.14Å; A113-N116 PolarHBondContact O-N 2.84Å; A113-A117 WeakPolarHBondContact O-CA 3.46Å; A113-A117 WeakPolarHBondContact O-CB 3.37Å; A113-A117 PolarHBondContact O-N 3.46Å |
| 114 | V | 84.9 | Confident | 82.7 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.1 | -49.5 | 175.9 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | V54 A110 V111 N116 D118 V130 L132 | V54-V114 HydrophobicContact CG1-CG2 3.93Å; V54-V114 HydrophobicContact CG2-CG2 4.16Å; A110-V114 VanDerWaalsContact O-CG2 3.29Å; A110-V114 WeakPolarHBondContact O-CG2 3.42Å; A110-V114 PolarHBondContact O-N 3.38Å; V111-V114 PolarHBondContact O-N 3.04Å; V114-N116 VanDerWaalsContact C-N 3.31Å; V114-N116 PolarHBondContact O-N 3.41Å; V114-D118 VanDerWaalsContact O-CB 3.23Å; V114-D118 WeakPolarHBondContact O-CB 3.38Å; V114-D118 PolarHBondContact O-N 3.35Å; V114-V130 HydrophobicContact CB-CG1 4.3Å; V114-V130 WeakPolarHBondContact CG1-O 3.43Å; V114-V130 HydrophobicContact CG2-CG1 3.81Å; V114-L132 HydrophobicContact CG2-CD2 3.9Å; V114-L132 HydrophobicContact CG2-CG 3.99Å |
| 115 | K | 83.1 | Confident | 82.2 | Confident | 161 Ų | 161 | 80.5 Ų | 80.5 | 70% | 0.7 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.7 | -35.7 | -176.7 | -168.9 | 178.9 | 178.7 | -173.3 | 0 | 113.4 | V111 | V111-K115 WeakPolarHBondContact O-CB 3.24Å; V111-K115 PolarHBondContact O-N 3.43Å |
| 116 | N | 83.3 | Confident | 82 | Confident | 89 Ų | 89 | 79.1 Ų | 79.1 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -101.3 | -22.7 | -172.8 | -68.4 | -47.6 | 0 | 0 | 0 | 114.4 | F81 E112 A113 V114 | F81-N116 HydrophobicContact CD1-CB 4.19Å; F81-N116 HydrophobicContact CE1-CB 3.49Å; F81-N116 VanDerWaalsContact CE1-CB 3.49Å; F81-N116 HydrophobicContact CZ-CB 3.96Å; E112-N116 WeakPolarHBondContact CG-ND2 3.42Å; E112-N116 WeakPolarHBondContact O-CB 3.41Å; E112-N116 PolarHBondContact O-N 2.9Å; E112-N116 VanDerWaalsContact O-N 3.14Å; E112-N116 PolarHBondContact O-ND2 3.09Å; E112-N116 VanDerWaalsContact O-ND2 3.07Å; A113-N116 PolarHBondContact O-N 2.84Å; V114-N116 VanDerWaalsContact C-N 3.31Å; V114-N116 PolarHBondContact O-N 3.41Å |
| 117 | A | 82.5 | Confident | 82 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.008 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -101.2 | -13.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | F78 F81 A113 G119 Y120 V130 | F78-A117 HydrophobicContact CD1-CB 4.37Å; F78-A117 HydrophobicContact CE1-CB 3.6Å; F78-A117 HydrophobicContact CZ-CB 4.06Å; F81-A117 HydrophobicContact CE2-CB 3.99Å; F81-A117 HydrophobicContact CZ-CB 4.39Å; A113-A117 WeakPolarHBondContact O-CA 3.46Å; A113-A117 WeakPolarHBondContact O-CB 3.37Å; A113-A117 PolarHBondContact O-N 3.46Å; A117-G119 PolarHBondContact O-N 2.98Å; A117-Y120 VanDerWaalsContact O-CB 3.25Å; A117-Y120 WeakPolarHBondContact O-CB 3.38Å; A117-Y120 PolarHBondContact O-N 2.95Å; A117-Y120 VanDerWaalsContact O-N 3.17Å; A117-V130 HydrophobicContact CB-CG2 4Å |
| 118 | D | 83.1 | Confident | 82.1 | Confident | 89 Ų | 89 | 77 Ų | 77 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 126.4 | 172.6 | -171.4 | 43.7 | 0 | 0 | 0 | 111.2 | V114 R129 V130 | V114-D118 VanDerWaalsContact O-CB 3.23Å; V114-D118 WeakPolarHBondContact O-CB 3.38Å; V114-D118 PolarHBondContact O-N 3.35Å; D118-R129 VanDerWaalsContact OD1-CA 3.29Å; D118-R129 WeakPolarHBondContact OD1-CA 3.23Å; D118-V130 HydrophobicContact CB-CB 4.27Å; D118-V130 PolarHBondContact OD1-N 3.08Å; D118-V130 VanDerWaalsContact OD1-N 3.08Å |
| 119 | G | 79.8 | Confident | 82.1 | Confident | 42 Ų | 42 | 80 Ų | 80 | 43% | 0.433 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 6.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A117 K121 T127 F128 | A117-G119 PolarHBondContact O-N 2.98Å; G119-K121 PolarHBondContact O-N 3.24Å; G119-T127 WeakPolarHBondContact O-CG2 3.45Å; G119-F128 WeakPolarHBondContact CA-O 2.87Å; G119-F128 PolarHBondContact N-O 2.91Å |
| 120 | Y | 83.3 | Confident | 82.1 | Confident | 104 Ų | 104 | 77.4 Ų | 77.4 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | trans | -66.4 | 122.5 | 176.5 | -174 | -90 | 0 | 0 | 0 | 111.6 | I77 A117 L122 T127 F128 | I77-Y120 HydrophobicContact CD1-CE1 3.78Å; I77-Y120 HydrophobicContact CG1-CE1 4.3Å; I77-Y120 HydrophobicContact CG2-CE1 4.49Å; A117-Y120 VanDerWaalsContact O-CB 3.25Å; A117-Y120 WeakPolarHBondContact O-CB 3.38Å; A117-Y120 PolarHBondContact O-N 2.95Å; A117-Y120 VanDerWaalsContact O-N 3.17Å; Y120-L122 HydrophobicContact CE1-CD1 4.5Å; Y120-T127 WeakPolarHBondContact O-CA 3.43Å; Y120-F128 AromaticContact CD1-CD2 3.78Å; Y120-F128 HydrophobicContact CD1-CD2 3.78Å; Y120-F128 AromaticContact CD1-CE2 3.88Å; Y120-F128 HydrophobicContact CD1-CE2 3.88Å; Y120-F128 HydrophobicContact CE1-CE2 4.45Å; Y120-F128 HydrophobicContact CG-CD2 4.39Å; Y120-F128 PolarHBondContact O-N 3.39Å | ||
| 121 | K | 83.4 | Confident | 82.2 | Confident | 157 Ų | 157 | 80.2 Ų | 80.2 | 68% | 0.683 | 39% | 0.389 | S | S | * | . | B | Isolated β-bridge | trans | -88.7 | 112.2 | 179.8 | -67.8 | -173.9 | 177.9 | 178.5 | 0 | 110.9 | G119 T127 | G119-K121 PolarHBondContact O-N 3.24Å; K121-T127 HydrophobicContact CG-CG2 3.94Å |
| 122 | L | 80.5 | Confident | 82.3 | Confident | 55 Ų | 55 | 77.9 Ų | 77.9 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -81.1 | -43.2 | 173.8 | -169.8 | 76.9 | 0 | 0 | 0 | 111.3 | P60 V73 I77 Y120 H126 F128 | P60-L122 HydrophobicContact CG-CD2 3.49Å; P60-L122 VanDerWaalsContact CG-CD2 3.49Å; V73-L122 HydrophobicContact CG1-CD1 3.74Å; I77-L122 HydrophobicContact CD1-CD1 3.8Å; Y120-L122 HydrophobicContact CE1-CD1 4.5Å; L122-H126 HydrophobicContact CB-CB 4.31Å; L122-H126 PolarHBondContact N-O 3.22Å; L122-F128 HydrophobicContact CB-CE1 4.25Å; L122-F128 HydrophobicContact CB-CE2 4.42Å; L122-F128 HydrophobicContact CB-CZ 3.96Å; L122-F128 HydrophobicContact CD1-CE2 4.29Å; L122-F128 HydrophobicContact CD1-CZ 3.93Å; L122-F128 HydrophobicContact CD2-CE1 4.17Å; L122-F128 HydrophobicContact CD2-CZ 3.88Å; L122-F128 HydrophobicContact CG-CZ 4.14Å |
| 123 | D | 76.9 | Confident | 82 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 54% | 0.535 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -151.8 | 178.1 | 176.3 | -166.5 | 8.3 | 0 | 0 | 0 | 109.9 | Q125 H126 | D123-Q125 PolarHBondContact O-N 3.39Å; D123-Q125 VanDerWaalsContact O-N 3.09Å; D123-H126 PolarHBondContact N-O 2.82Å; D123-H126 PolarHBondContact O-N 3.39Å |
| 124 | K | 76.5 | Confident | 81.5 | Confident | 208 Ų | 208 | 78.6 Ų | 78.6 | 90% | 0.904 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -53.9 | -29.4 | 179.1 | -83.5 | -175.9 | 177.2 | 176.8 | 0 | 114.3 | ||
| 125 | Q | 75.8 | Confident | 80.8 | Confident | 156 Ų | 156 | 78.9 Ų | 78.9 | 73% | 0.729 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -100.9 | -24.2 | -177.6 | -68.4 | 177.8 | -8.3 | 0 | 0 | 113.4 | D123 | D123-Q125 PolarHBondContact O-N 3.39Å; D123-Q125 VanDerWaalsContact O-N 3.09Å |
| 126 | H | 78.9 | Confident | 80.1 | Confident | 42 Ų | 42 | 77 Ų | 77 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | trans | -113.2 | 107.4 | -171.3 | -55.2 | 100.3 | 0 | 0 | 0 | 110.1 | P60 L122 D123 | P60-H126 HydrophobicContact CG-CB 4.35Å; L122-H126 HydrophobicContact CB-CB 4.31Å; L122-H126 PolarHBondContact N-O 3.22Å; D123-H126 PolarHBondContact N-O 2.82Å; D123-H126 PolarHBondContact O-N 3.39Å | ||
| 127 | T | 84.9 | Confident | 79.3 | Confident | 42 Ų | 42 | 77 Ų | 77 | 26% | 0.258 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -117.2 | 116.8 | 170.9 | -53.8 | 0 | 0 | 0 | 0 | 106.8 | N58 G119 Y120 K121 | N58-T127 WeakPolarHBondContact CB-O 3.44Å; N58-T127 PolarHBondContact ND2-N 3.19Å; N58-T127 PolarHBondContact ND2-O 3.16Å; G119-T127 WeakPolarHBondContact O-CG2 3.45Å; Y120-T127 WeakPolarHBondContact O-CA 3.43Å; K121-T127 HydrophobicContact CG-CG2 3.94Å |
| 128 | F | 85.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 40% | 0.4 | C | S | . | . | trans | -63.9 | 139.7 | -178.3 | -62.9 | -32.3 | 0 | 0 | 0 | 110.7 | V56 D57 V59 I74 I77 F78 G119 Y120 L122 V130 | V56-F128 HydrophobicContact CG1-CB 4.01Å; V56-F128 HydrophobicContact CG1-CD1 4.04Å; V56-F128 HydrophobicContact CG1-CG 3.96Å; D57-F128 WeakPolarHBondContact O-CA 3.41Å; V59-F128 HydrophobicContact CB-CE1 4.47Å; V59-F128 HydrophobicContact CG2-CD1 4.24Å; V59-F128 HydrophobicContact CG2-CE1 4.1Å; I74-F128 HydrophobicContact CD1-CE1 4.23Å; I74-F128 HydrophobicContact CD1-CE2 4.15Å; I74-F128 HydrophobicContact CD1-CZ 3.58Å; I77-F128 HydrophobicContact CD1-CE2 4.11Å; F78-F128 HydrophobicContact CE2-CD2 4.31Å; F78-F128 HydrophobicContact CE2-CE2 4.24Å; F78-F128 HydrophobicContact CZ-CD2 4.37Å; G119-F128 WeakPolarHBondContact CA-O 2.87Å; G119-F128 PolarHBondContact N-O 2.91Å; Y120-F128 AromaticContact CD1-CD2 3.78Å; Y120-F128 HydrophobicContact CD1-CD2 3.78Å; Y120-F128 AromaticContact CD1-CE2 3.88Å; Y120-F128 HydrophobicContact CD1-CE2 3.88Å; Y120-F128 HydrophobicContact CE1-CE2 4.45Å; Y120-F128 HydrophobicContact CG-CD2 4.39Å; Y120-F128 PolarHBondContact O-N 3.39Å; L122-F128 HydrophobicContact CB-CE1 4.25Å; L122-F128 HydrophobicContact CB-CE2 4.42Å; L122-F128 HydrophobicContact CB-CZ 3.96Å; L122-F128 HydrophobicContact CD1-CE2 4.29Å; L122-F128 HydrophobicContact CD1-CZ 3.93Å; L122-F128 HydrophobicContact CD2-CE1 4.17Å; L122-F128 HydrophobicContact CD2-CZ 3.88Å; L122-F128 HydrophobicContact CG-CZ 4.14Å; F128-V130 HydrophobicContact CB-CG2 4.27Å | ||
| 129 | R | 83.5 | Confident | 77.4 | Confident | 168 Ų | 168 | 85.5 Ų | 85.5 | 63% | 0.634 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.4 | 163.8 | -73.8 | -167.7 | 176 | -170.1 | -0.5 | 108.6 | V56 D57 D118 | V56-R129 CarbonylContact C-O 3.55Å; V56-R129 WeakPolarHBondContact CA-O 3.45Å; D57-R129 HydrophobicContact CB-CB 4.27Å; D57-R129 PolarHBondContact N-O 3.3Å; D57-R129 PolarHBondContact O-N 3.19Å; D57-R129 VanDerWaalsContact O-N 3.11Å; D118-R129 VanDerWaalsContact OD1-CA 3.29Å; D118-R129 WeakPolarHBondContact OD1-CA 3.23Å |
| 130 | V | 85.5 | Confident | 76.7 | Confident | 1 Ų | 1 | 89.9 Ų | 89.9 | 1% | 0.006 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.8 | -170.2 | -170.7 | 0 | 0 | 0 | 0 | 108 | V54 V55 V56 F78 V114 A117 D118 F128 | V54-V130 HydrophobicContact CG1-CG1 3.14Å; V55-V130 WeakPolarHBondContact O-CA 3.4Å; V56-V130 HydrophobicContact CG1-CG2 4.2Å; V56-V130 HydrophobicContact CG2-CG1 4.16Å; V56-V130 HydrophobicContact CG2-CG2 4.2Å; F78-V130 HydrophobicContact CE1-CG1 4.45Å; F78-V130 HydrophobicContact CE1-CG2 4.3Å; F78-V130 HydrophobicContact CZ-CG2 4.19Å; V114-V130 HydrophobicContact CB-CG1 4.3Å; V114-V130 WeakPolarHBondContact CG1-O 3.43Å; V114-V130 HydrophobicContact CG2-CG1 3.81Å; A117-V130 HydrophobicContact CB-CG2 4Å; D118-V130 HydrophobicContact CB-CB 4.27Å; D118-V130 PolarHBondContact OD1-N 3.08Å; D118-V130 VanDerWaalsContact OD1-N 3.08Å; F128-V130 HydrophobicContact CB-CG2 4.27Å |
| 131 | N | 83.5 | Confident | 75.7 | Confident | 58 Ų | 58 | 91.4 Ų | 91.4 | 31% | 0.31 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 156.7 | 179.9 | -61 | -62.8 | 0 | 0 | 0 | 110 | V55 | V55-N131 PolarHBondContact N-O 3.11Å; V55-N131 PolarHBondContact O-N 2.76Å |
| 132 | L | 84.4 | Confident | 74.8 | Confident | 31 Ų | 31 | 88.7 Ų | 88.7 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 149.3 | 168.8 | -66.4 | 167.7 | 0 | 0 | 0 | 109.5 | V54 A110 V111 V114 T134 D135 | V54-L132 HydrophobicContact CG2-CD2 4.37Å; A110-L132 HydrophobicContact CB-CD2 4Å; V111-L132 HydrophobicContact CG2-CD1 4.21Å; V114-L132 HydrophobicContact CG2-CD2 3.9Å; V114-L132 HydrophobicContact CG2-CG 3.99Å; L132-T134 WeakPolarHBondContact CB-OG1 3.48Å; L132-T134 PolarHBondContact O-N 3.17Å; L132-D135 PolarHBondContact N-OD2 3.35Å; L132-D135 WeakPolarHBondContact O-CB 3.45Å; L132-D135 PolarHBondContact O-N 3.34Å; L132-D135 VanDerWaalsContact O-N 3.16Å |
| 133 | F | 78.8 | Confident | 73.8 | Confident | 84 Ų | 84 | 90 Ų | 90 | 37% | 0.368 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -36.2 | 175 | -170.4 | -94.4 | 0 | 0 | 0 | 111.8 | I50 V53 V55 F101 D135 F136 | I50-F133 HydrophobicContact CB-CD1 3.98Å; I50-F133 HydrophobicContact CG2-CD1 4.05Å; I50-F133 HydrophobicContact CG2-CE1 4.24Å; V53-F133 HydrophobicContact CB-CB 3.97Å; V53-F133 HydrophobicContact CG1-CB 4.08Å; V53-F133 HydrophobicContact CG1-CD2 4.44Å; V53-F133 HydrophobicContact CG1-CG 4.45Å; V53-F133 PolarHBondContact O-N 3.03Å; V55-F133 HydrophobicContact CG2-CB 4.33Å; V55-F133 HydrophobicContact CG2-CD2 3.97Å; F101-F133 HydrophobicContact CD1-CD2 4.22Å; F101-F133 AromaticContact CE1-CD2 3.9Å; F101-F133 HydrophobicContact CE1-CD2 3.9Å; F101-F133 AromaticContact CE1-CE2 3.93Å; F101-F133 HydrophobicContact CE1-CE2 3.93Å; F133-D135 PolarHBondContact O-N 2.79Å; F133-F136 VanDerWaalsContact O-CB 3.31Å; F133-F136 WeakPolarHBondContact O-CB 3.47Å; F133-F136 PolarHBondContact O-N 2.93Å; F133-F136 VanDerWaalsContact O-N 3.11Å |
| 134 | T | 74.1 | Confident | 73.3 | Confident | 36 Ų | 36 | 93.7 Ų | 93.7 | 22% | 0.221 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.9 | 174.8 | 45.6 | 0 | 0 | 0 | 0 | 115 | I50 D51 L132 F136 D137 | I50-T134 HydrophobicContact CB-CG2 4.34Å; I50-T134 HydrophobicContact CD1-CG2 3.75Å; I50-T134 HydrophobicContact CG1-CG2 3.57Å; D51-T134 WeakPolarHBondContact OD1-CG2 3.29Å; L132-T134 WeakPolarHBondContact CB-OG1 3.48Å; L132-T134 PolarHBondContact O-N 3.17Å; T134-F136 PolarHBondContact O-N 3.39Å; T134-D137 PolarHBondContact O-N 2.87Å |
| 135 | D | 69.3 | Low | 72.7 | Confident | 33 Ų | 33 | 91 Ų | 91 | 18% | 0.176 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.1 | -20 | 176.6 | -75.7 | -40.8 | 0 | 0 | 0 | 111.3 | L132 F133 K138 Y139 | L132-D135 PolarHBondContact N-OD2 3.35Å; L132-D135 WeakPolarHBondContact O-CB 3.45Å; L132-D135 PolarHBondContact O-N 3.34Å; L132-D135 VanDerWaalsContact O-N 3.16Å; F133-D135 PolarHBondContact O-N 2.79Å; D135-K138 WeakPolarHBondContact O-CB 3.4Å; D135-K138 PolarHBondContact O-N 3.45Å; D135-Y139 HydrophobicContact CB-CD2 4.12Å; D135-Y139 HydrophobicContact CB-CE2 3.6Å; D135-Y139 WeakPolarHBondContact O-CD2 3.25Å; D135-Y139 PolarHBondContact O-N 3.5Å |
| 136 | F | 67.7 | Low | 71.9 | Confident | 121 Ų | 121 | 94.2 Ų | 94.2 | 53% | 0.531 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 175.9 | -171.5 | -98.2 | 0 | 0 | 0 | 112.2 | F133 T134 K138 Y139 M140 | F133-F136 VanDerWaalsContact O-CB 3.31Å; F133-F136 WeakPolarHBondContact O-CB 3.47Å; F133-F136 PolarHBondContact O-N 2.93Å; F133-F136 VanDerWaalsContact O-N 3.11Å; T134-F136 PolarHBondContact O-N 3.39Å; F136-K138 VanDerWaalsContact C-N 3.25Å; F136-K138 PolarHBondContact O-N 3.35Å; F136-Y139 PolarHBondContact O-N 2.94Å; F136-M140 HydrophobicContact CD1-CG 4.36Å; F136-M140 HydrophobicContact CD1-SD 4.09Å; F136-M140 HydrophobicContact CE1-CE 3.98Å; F136-M140 HydrophobicContact CE1-CG 3.89Å; F136-M140 HydrophobicContact CE1-SD 3.38Å; F136-M140 WeakPolarHBondContact CE1-SD 3.44Å; F136-M140 HydrophobicContact CZ-CE 4.12Å; F136-M140 HydrophobicContact CZ-CG 4.19Å; F136-M140 HydrophobicContact CZ-SD 4.02Å; F136-M140 WeakPolarHBondContact O-CB 3.2Å; F136-M140 PolarHBondContact O-N 3.33Å |
| 137 | D | 66.5 | Low | 71.1 | Confident | 90 Ų | 90 | 99.7 Ų | 99.7 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 175.6 | -76.7 | -15.4 | 0 | 0 | 0 | 111.6 | T134 N141 | T134-D137 PolarHBondContact O-N 2.87Å; D137-N141 VanDerWaalsContact O-CB 3.26Å; D137-N141 WeakPolarHBondContact O-CB 3.46Å; D137-N141 VanDerWaalsContact O-CG 3.27Å; D137-N141 PolarHBondContact O-N 3Å; D137-N141 PolarHBondContact O-ND2 3.23Å |
| 138 | K | 63.8 | Low | 70.2 | Confident | 138 Ų | 138 | 101.3 Ų | 101.3 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 175.1 | -172.3 | 179.3 | -179 | -178.8 | 0 | 111.5 | D135 F136 I142 | D135-K138 WeakPolarHBondContact O-CB 3.4Å; D135-K138 PolarHBondContact O-N 3.45Å; F136-K138 VanDerWaalsContact C-N 3.25Å; F136-K138 PolarHBondContact O-N 3.35Å; K138-I142 WeakPolarHBondContact O-CG1 3.26Å; K138-I142 PolarHBondContact O-N 3.27Å |
| 139 | Y | 62.9 | Low | 69.4 | Low | 130 Ų | 130 | 106.4 Ų | 106.4 | 51% | 0.51 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.2 | -35.1 | 177.5 | -63.8 | -57 | 0 | 0 | 0 | 112.8 | D135 F136 N141 I142 | D135-Y139 HydrophobicContact CB-CD2 4.12Å; D135-Y139 HydrophobicContact CB-CE2 3.6Å; D135-Y139 WeakPolarHBondContact O-CD2 3.25Å; D135-Y139 PolarHBondContact O-N 3.5Å; F136-Y139 PolarHBondContact O-N 2.94Å; Y139-N141 VanDerWaalsContact C-N 3.3Å; Y139-N141 PolarHBondContact O-N 2.89Å; Y139-I142 HydrophobicContact CD1-CD1 3.72Å; Y139-I142 HydrophobicContact CE1-CD1 4.49Å; Y139-I142 PolarHBondContact O-N 3.09Å |
| 140 | M | 64.3 | Low | 68.6 | Low | 134 Ų | 134 | 107.2 Ų | 107.2 | 66% | 0.66 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.9 | -32.2 | 174.2 | -101 | -166 | 149.7 | 0 | 0 | 112.6 | F136 | F136-M140 HydrophobicContact CD1-CG 4.36Å; F136-M140 HydrophobicContact CD1-SD 4.09Å; F136-M140 HydrophobicContact CE1-CE 3.98Å; F136-M140 HydrophobicContact CE1-CG 3.89Å; F136-M140 HydrophobicContact CE1-SD 3.38Å; F136-M140 WeakPolarHBondContact CE1-SD 3.44Å; F136-M140 HydrophobicContact CZ-CE 4.12Å; F136-M140 HydrophobicContact CZ-CG 4.19Å; F136-M140 HydrophobicContact CZ-SD 4.02Å; F136-M140 WeakPolarHBondContact O-CB 3.2Å; F136-M140 PolarHBondContact O-N 3.33Å |
| 141 | N | 63.7 | Low | 67.7 | Low | 135 Ų | 135 | 116.9 Ų | 116.9 | 72% | 0.722 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 6.7 | 178 | -69.5 | -41 | 0 | 0 | 0 | 113.8 | D137 Y139 S143 | D137-N141 VanDerWaalsContact O-CB 3.26Å; D137-N141 WeakPolarHBondContact O-CB 3.46Å; D137-N141 VanDerWaalsContact O-CG 3.27Å; D137-N141 PolarHBondContact O-N 3Å; D137-N141 PolarHBondContact O-ND2 3.23Å; Y139-N141 VanDerWaalsContact C-N 3.3Å; Y139-N141 PolarHBondContact O-N 2.89Å; N141-S143 PolarHBondContact O-N 2.92Å |
| 142 | I | 64.1 | Low | 67 | Low | 100 Ų | 100 | 121.2 Ų | 121.2 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -73.3 | 121 | 169.6 | -58.9 | -178.9 | 0 | 0 | 0 | 107.1 | K138 Y139 D144 | K138-I142 WeakPolarHBondContact O-CG1 3.26Å; K138-I142 PolarHBondContact O-N 3.27Å; Y139-I142 HydrophobicContact CD1-CD1 3.72Å; Y139-I142 HydrophobicContact CE1-CD1 4.49Å; Y139-I142 PolarHBondContact O-N 3.09Å; I142-D144 PolarHBondContact O-N 3.18Å |
| 143 | S | 58.9 | Low | 66.3 | Low | 84 Ų | 84 | 125.3 Ų | 125.3 | 59% | 0.587 | 63% | 0.625 | S | S | * | * | trans | -59.1 | 126.8 | 174.3 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | N141 E145 | N141-S143 PolarHBondContact O-N 2.92Å; S143-E145 PolarHBondContact O-N 3.29Å; S143-E145 PolarHBondContact OG-O 3.22Å | ||
| 144 | D | 67.5 | Low | 65.8 | Low | 176 Ų | 176 | 129.8 Ų | 129.8 | 94% | 0.941 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -62.8 | -18.5 | 172.9 | -74.1 | -36.1 | 0 | 0 | 0 | 112.1 | I142 W146 | I142-D144 PolarHBondContact O-N 3.18Å; D144-W146 PolarHBondContact O-N 3.32Å |
| 145 | E | 62.8 | Low | 65.5 | Low | 151 Ų | 151 | 135.4 Ų | 135.4 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -84.2 | 110 | 174.2 | -62.7 | -168.1 | 166.3 | 0 | 0 | 110.6 | S143 E147 | S143-E145 PolarHBondContact O-N 3.29Å; S143-E145 PolarHBondContact OG-O 3.22Å; E145-E147 PolarHBondContact O-N 3.33Å |
| 146 | W | 59.8 | Low | 65.5 | Low | 224 Ų | 224 | 139.8 Ų | 139.8 | 85% | 0.848 | 69% | 0.69 | S | S | * | * | trans | -69.3 | 99.2 | 168.8 | 174.1 | -91.8 | 0 | 0 | 0 | 109.5 | D144 | D144-W146 PolarHBondContact O-N 3.32Š| ||
| 147 | E | 61.2 | Low | 65.3 | Low | 158 Ų | 158 | 138.5 Ų | 138.5 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 121 | 166.7 | -69.2 | -168.7 | 157.3 | 0 | 0 | 109.6 | E145 | E145-E147 PolarHBondContact O-N 3.33Š|
| 148 | A | 66.3 | Low | 65.6 | Low | 76 Ų | 76 | 136.1 Ų | 136.1 | 63% | 0.628 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 124.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | E150 | A148-E150 PolarHBondContact O-N 3.48Š|
| 149 | P | 69.6 | Low | 66.2 | Low | 107 Ų | 107 | 132.5 Ų | 132.5 | 70% | 0.695 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 132.8 | -176.7 | 19 | -30.7 | 0 | 0 | 0 | 109.9 | K151 | P149-K151 PolarHBondContact O-N 3.06Š|
| 150 | E | 65.9 | Low | 66.8 | Low | 185 Ų | 185 | 127.8 Ų | 127.8 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 132.5 | 178.4 | -70.6 | -166.4 | 153 | 0 | 0 | 109.8 | A148 Q152 | A148-E150 PolarHBondContact O-N 3.48Å; E150-Q152 PolarHBondContact O-N 3.14Å; E150-Q152 VanDerWaalsContact O-N 3.09Å |
| 151 | K | 67.6 | Low | 67.6 | Low | 203 Ų | 203 | 126.2 Ų | 126.2 | 88% | 0.883 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 121.7 | 176.5 | -71.9 | 179.2 | -177.4 | 171.7 | 0 | 107.6 | P149 | P149-K151 PolarHBondContact O-N 3.06Š|
| 152 | Q | 67.3 | Low | 68.4 | Low | 149 Ų | 149 | 123.6 Ų | 123.6 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 133.1 | 176.8 | -70.7 | -176.4 | -8.8 | 0 | 0 | 110 | E150 F154 | E150-Q152 PolarHBondContact O-N 3.14Å; E150-Q152 VanDerWaalsContact O-N 3.09Å; Q152-F154 PolarHBondContact O-N 3.16Å |
| 153 | P | 70.4 | Confident | 69.2 | Low | 117 Ų | 117 | 119.5 Ų | 119.5 | 76% | 0.76 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 133 | 179.6 | 22 | -31.4 | 0 | 0 | 0 | 109.5 | K155 | P153-K155 PolarHBondContact O-N 2.77Å; P153-K155 VanDerWaalsContact O-N 3.07Å |
| 154 | F | 68.6 | Low | 70.3 | Confident | 179 Ų | 179 | 118.3 Ų | 118.3 | 79% | 0.785 | 59% | 0.585 | S | S | * | * | trans | -61 | 114.2 | -178.7 | 178.1 | -98.9 | 0 | 0 | 0 | 109.6 | Q152 D156 | Q152-F154 PolarHBondContact O-N 3.16Å; F154-D156 HydrophobicContact CD1-CB 4.36Å; F154-D156 HydrophobicContact CE1-CB 3.95Å; F154-D156 PolarHBondContact O-N 3.28Å | ||
| 155 | K | 66.9 | Low | 71 | Confident | 153 Ų | 153 | 116.4 Ų | 116.4 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | trans | -80.2 | 111.7 | 169.1 | -70.7 | -177.5 | -178.5 | 177.7 | 0 | 108 | P153 F157 | P153-K155 PolarHBondContact O-N 2.77Å; P153-K155 VanDerWaalsContact O-N 3.07Å; K155-F157 HydrophobicContact CB-CD2 4.41Å; K155-F157 HydrophobicContact CB-CE1 4.33Å; K155-F157 HydrophobicContact CB-CE2 3.78Å; K155-F157 HydrophobicContact CB-CZ 3.74Å; K155-F157 HydrophobicContact CD-CZ 4.21Å; K155-F157 WeakPolarHBondContact O-CD2 3.29Å; K155-F157 WeakPolarHBondContact O-CE2 3.39Å; K155-F157 PolarHBondContact O-N 2.73Å | ||
| 156 | D | 69.1 | Low | 71.8 | Confident | 126 Ų | 126 | 111.6 Ų | 111.6 | 67% | 0.674 | 55% | 0.55 | S | S | * | * | trans | -72 | 108.1 | 171.6 | -172.3 | 6.1 | 0 | 0 | 0 | 109.3 | F154 G158 | F154-D156 HydrophobicContact CD1-CB 4.36Å; F154-D156 HydrophobicContact CE1-CB 3.95Å; F154-D156 PolarHBondContact O-N 3.28Å; D156-G158 PolarHBondContact O-N 2.73Å; D156-G158 WeakPolarHBondContact OD1-CA 3.26Å; D156-G158 PolarHBondContact OD1-N 2.95Å | ||
| 157 | F | 64.6 | Low | 72.5 | Confident | 93 Ų | 93 | 105.4 Ų | 105.4 | 41% | 0.408 | 54% | 0.541 | S | S | . | . | trans | -85.2 | 5.7 | 176 | -64.3 | -76.5 | 0 | 0 | 0 | 112.4 | K155 M160 I235 | K155-F157 HydrophobicContact CB-CD2 4.41Å; K155-F157 HydrophobicContact CB-CE1 4.33Å; K155-F157 HydrophobicContact CB-CE2 3.78Å; K155-F157 HydrophobicContact CB-CZ 3.74Å; K155-F157 HydrophobicContact CD-CZ 4.21Å; K155-F157 WeakPolarHBondContact O-CD2 3.29Å; K155-F157 WeakPolarHBondContact O-CE2 3.39Å; K155-F157 PolarHBondContact O-N 2.73Å; F157-M160 HydrophobicContact CB-SD 4.02Å; F157-I235 HydrophobicContact CD1-CG1 4.1Å; F157-I235 HydrophobicContact CD1-CG2 4.1Å; F157-I235 HydrophobicContact CD2-CG2 4.25Å; F157-I235 HydrophobicContact CE1-CB 4.4Å; F157-I235 HydrophobicContact CE1-CG1 4.45Å; F157-I235 HydrophobicContact CE1-CG2 3.84Å; F157-I235 HydrophobicContact CE2-CG2 4Å; F157-I235 HydrophobicContact CG-CG1 4.49Å; F157-I235 HydrophobicContact CG-CG2 4.3Å; F157-I235 HydrophobicContact CZ-CG2 3.79Å | ||
| 158 | G | 71.9 | Confident | 73 | Confident | 40 Ų | 40 | 101.6 Ų | 101.6 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | trans | 79.3 | -166 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D156 M160 | D156-G158 PolarHBondContact O-N 2.73Å; D156-G158 WeakPolarHBondContact OD1-CA 3.26Å; D156-G158 PolarHBondContact OD1-N 2.95Å; G158-M160 PolarHBondContact O-N 3.05Å | ||
| 159 | N | 76.6 | Confident | 73.4 | Confident | 63 Ų | 63 | 100.6 Ų | 100.6 | 34% | 0.337 | 51% | 0.514 | S | S | . | . | trans | -73.5 | 95.9 | -178.6 | -167.9 | -7 | 0 | 0 | 0 | 111.5 | R161 H162 E165 | N159-R161 PolarHBondContact O-N 3.15Å; N159-R161 VanDerWaalsContact O-N 3.11Å; N159-R161 WeakPolarHBondContact OD1-CA 3.31Å; N159-R161 PolarHBondContact OD1-N 3.29Å; N159-H162 HydrophobicContact CB-CB 4.18Å; N159-H162 PolarHBondContact O-N 3.09Å; N159-H162 PolarHBondContact OD1-N 3.24Å; N159-E165 PolarHBondContact ND2-OE1 3.27Å; N159-E165 PolarHBondContact ND2-OE2 2.73Å; N159-E165 VanDerWaalsContact ND2-OE2 3.09Å | ||
| 160 | M | 75.8 | Confident | 73.9 | Confident | 31 Ų | 31 | 98.7 Ų | 98.7 | 15% | 0.153 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 1.7 | 175.5 | -65.4 | -65.7 | -64 | 0 | 0 | 113.9 | F157 G158 W163 T214 Y215 G229 I235 | F157-M160 HydrophobicContact CB-SD 4.02Å; G158-M160 PolarHBondContact O-N 3.05Å; M160-W163 WeakPolarHBondContact O-CH2 3.45Å; M160-W163 WeakPolarHBondContact O-CZ3 3.3Å; M160-T214 HydrophobicContact CB-CG2 4.07Å; M160-T214 HydrophobicContact CE-CG2 3.59Å; M160-T214 WeakPolarHBondContact CE-O 3.5Å; M160-Y215 HydrophobicContact CE-CD1 3.71Å; M160-Y215 HydrophobicContact CE-CE1 3.36Å; M160-G229 PolarHBondContact SD-N 2.83Å; M160-I235 HydrophobicContact CE-CD1 3.3Å; M160-I235 HydrophobicContact SD-CD1 3.62Å |
| 161 | R | 80.2 | Confident | 74.8 | Confident | 101 Ų | 101 | 90.1 Ų | 90.1 | 38% | 0.381 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 19.5 | 178.9 | -68.1 | -172.6 | -176.9 | 172 | 6.4 | 113.3 | N159 W163 I164 | N159-R161 PolarHBondContact O-N 3.15Å; N159-R161 VanDerWaalsContact O-N 3.11Å; N159-R161 WeakPolarHBondContact OD1-CA 3.31Å; N159-R161 PolarHBondContact OD1-N 3.29Å; R161-W163 HydrophobicContact CB-CH2 4.47Å; R161-W163 HydrophobicContact CB-CZ3 4.45Å; R161-W163 HydrophobicContact CG-CH2 4.17Å; R161-W163 PolarHBondContact O-N 3.28Å; R161-W163 VanDerWaalsContact O-N 3.1Å; R161-I164 HydrophobicContact CB-CD1 4.14Å; R161-I164 HydrophobicContact CG-CD1 4.42Å; R161-I164 WeakPolarHBondContact O-CB 3.29Å; R161-I164 PolarHBondContact O-N 2.99Å |
| 162 | H | 82.2 | Confident | 75.9 | Confident | 79 Ų | 79 | 81.6 Ų | 81.6 | 37% | 0.366 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -51.3 | -37.8 | -174.3 | 178.5 | -107.8 | 0 | 0 | 0 | 114.3 | N159 I164 E165 E230 | N159-H162 HydrophobicContact CB-CB 4.18Å; N159-H162 PolarHBondContact O-N 3.09Å; N159-H162 PolarHBondContact OD1-N 3.24Å; H162-I164 PolarHBondContact O-N 3.21Å; H162-I164 VanDerWaalsContact O-N 3.07Å; H162-E165 WeakPolarHBondContact O-CB 3.43Å; H162-E165 PolarHBondContact O-N 3.31Å; H162-E230 IonicContact CE1-OE1 2.83Å |
| 163 | W | 80.6 | Confident | 77.1 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 6% | 0.057 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -63.1 | -18.7 | -179.5 | 72.5 | 98.2 | 0 | 0 | 0 | 113.8 | M160 R161 E165 Q172 G213 | M160-W163 WeakPolarHBondContact O-CH2 3.45Å; M160-W163 WeakPolarHBondContact O-CZ3 3.3Å; R161-W163 HydrophobicContact CB-CH2 4.47Å; R161-W163 HydrophobicContact CB-CZ3 4.45Å; R161-W163 HydrophobicContact CG-CH2 4.17Å; R161-W163 PolarHBondContact O-N 3.28Å; R161-W163 VanDerWaalsContact O-N 3.1Å; W163-E165 VanDerWaalsContact C-N 3.31Å; W163-Q172 HydrophobicContact CB-CG 4.43Å; W163-G213 WeakPolarHBondContact CH2-O 3.45Å |
| 164 | I | 82.1 | Confident | 78.1 | Confident | 58 Ų | 58 | 69 Ų | 69 | 30% | 0.297 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -77 | -23.7 | 176.4 | -57.4 | 179.3 | 0 | 0 | 0 | 111.1 | R161 H162 D166 P575 | R161-I164 HydrophobicContact CB-CD1 4.14Å; R161-I164 HydrophobicContact CG-CD1 4.42Å; R161-I164 WeakPolarHBondContact O-CB 3.29Å; R161-I164 PolarHBondContact O-N 2.99Å; H162-I164 PolarHBondContact O-N 3.21Å; H162-I164 VanDerWaalsContact O-N 3.07Å; I164-D166 VanDerWaalsContact C-N 3.27Å; I164-P575 HydrophobicContact CD1-CG 3.3Å |
| 165 | E | 81.1 | Confident | 79.3 | Confident | 136 Ų | 136 | 60.5 Ų | 60.5 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -81.1 | -6.8 | 179.4 | -64.9 | 174.3 | -176.8 | 0 | 0 | 112.9 | N159 H162 W163 S167 | N159-E165 PolarHBondContact ND2-OE1 3.27Å; N159-E165 PolarHBondContact ND2-OE2 2.73Å; N159-E165 VanDerWaalsContact ND2-OE2 3.09Å; H162-E165 WeakPolarHBondContact O-CB 3.43Å; H162-E165 PolarHBondContact O-N 3.31Å; W163-E165 VanDerWaalsContact C-N 3.31Å; E165-S167 PolarHBondContact O-N 2.8Å |
| 166 | D | 79.4 | Confident | 80.5 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | trans | -58.1 | 122 | 176.3 | -171.5 | -14 | 0 | 0 | 0 | 110.6 | I164 D168 C169 R170 | I164-D166 VanDerWaalsContact C-N 3.27Å; D166-D168 PolarHBondContact O-N 3.48Å; D166-D168 PolarHBondContact OD1-N 3.42Å; D166-C169 PolarHBondContact O-N 2.95Å; D166-R170 WeakPolarHBondContact OD2-CB 3.27Å | ||
| 167 | S | 74.4 | Confident | 81.4 | Confident | 94 Ų | 94 | 48 Ų | 48 | 66% | 0.657 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.9 | -178 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | E165 | E165-S167 PolarHBondContact O-N 2.8Š|
| 168 | D | 71.4 | Confident | 82.4 | Confident | 78 Ų | 78 | 45.5 Ų | 45.5 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 2 | 178.9 | -69.9 | -18.4 | 0 | 0 | 0 | 112.5 | D166 R170 | D166-D168 PolarHBondContact O-N 3.48Å; D166-D168 PolarHBondContact OD1-N 3.42Å; D168-R170 VanDerWaalsContact C-N 3.26Å; D168-R170 HydrophobicContact CB-CG 3.91Å; D168-R170 PolarHBondContact O-N 3.01Å; D168-R170 IonicContact OD2-CZ 2.87Å; D168-R170 IonicContact OD2-NE 3.88Å; D168-R170 IonicContact OD2-NH2 3.93Å; D168-R170 PolarHBondContact OD2-NH2 3.35Å |
| 169 | C | 75.6 | Confident | 82.8 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 38% | 0.378 | 24% | 0.235 | S | C | . | . | trans | 53.4 | 39.4 | 179.8 | -66 | 0 | 0 | 0 | 0 | 113.1 | D166 D171 | D166-C169 PolarHBondContact O-N 2.95Å; C169-D171 PolarHBondContact O-N 3.05Å | ||
| 170 | R | 81 | Confident | 82.7 | Confident | 66 Ų | 66 | 42.9 Ų | 42.9 | 25% | 0.249 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 117.9 | -178 | -59.4 | 177.3 | -169.9 | 178.3 | 3.1 | 110.2 | D166 D168 N188 | D166-R170 WeakPolarHBondContact OD2-CB 3.27Å; D168-R170 VanDerWaalsContact C-N 3.26Å; D168-R170 HydrophobicContact CB-CG 3.91Å; D168-R170 PolarHBondContact O-N 3.01Å; D168-R170 IonicContact OD2-CZ 2.87Å; D168-R170 IonicContact OD2-NE 3.88Å; D168-R170 IonicContact OD2-NH2 3.93Å; D168-R170 PolarHBondContact OD2-NH2 3.35Å; R170-N188 WeakPolarHBondContact CB-O 3.42Å; R170-N188 WeakPolarHBondContact CG-O 3.45Å |
| 171 | D | 85 | Confident | 83.2 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 144.5 | 176.5 | -66 | -63.3 | 0 | 0 | 0 | 110.9 | C169 N188 D527 T529 W571 R574 | C169-D171 PolarHBondContact O-N 3.05Å; D171-N188 WeakPolarHBondContact O-CB 3.3Å; D171-N188 PolarHBondContact O-N 3.47Å; D171-D527 VanDerWaalsContact CG-OD1 3.3Å; D171-T529 WeakPolarHBondContact OD2-CG2 3.18Å; D171-W571 HydrophobicContact CB-CE3 4.11Å; D171-W571 HydrophobicContact CB-CZ3 3.92Å; D171-R574 VanDerWaalsContact OD1-CD 3.29Å; D171-R574 WeakPolarHBondContact OD1-CD 3.35Å; D171-R574 IonicContact OD1-CZ 3.63Å; D171-R574 IonicContact OD1-NE 3.41Å; D171-R574 IonicContact OD1-NH1 2.69Å; D171-R574 PolarHBondContact OD1-NH1 2.93Å; D171-R574 IonicContact OD2-NH1 3.53Å |
| 172 | Q | 89.3 | Confident | 83.7 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 11% | 0.107 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 150.3 | 179 | -69.8 | -175.1 | -26.8 | 0 | 0 | 110.8 | W163 I185 F186 S187 R572 | W163-Q172 HydrophobicContact CB-CG 4.43Å; Q172-I185 HydrophobicContact CB-CG2 4.35Å; Q172-F186 CarbonylContact C-O 3.52Å; Q172-F186 VanDerWaalsContact CA-O 3.25Å; Q172-F186 WeakPolarHBondContact CA-O 3.39Å; Q172-S187 PolarHBondContact NE2-OG 3.33Å; Q172-R572 HydrophobicContact CB-CB 4.06Å; Q172-R572 WeakPolarHBondContact O-CB 3.34Å; Q172-R572 PolarHBondContact O-N 2.92Å |
| 173 | Y | 92.4 | Very high | 84.2 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 149.1 | 172.1 | 60.6 | -86.2 | 0 | 0 | 0 | 110.3 | V175 I185 F186 N188 P193 Y548 L569 L570 W571 | Y173-V175 HydrophobicContact CD2-CG2 3.53Å; Y173-V175 HydrophobicContact CE2-CG2 3.46Å; Y173-V175 VanDerWaalsContact CE2-CG2 3.46Å; Y173-I185 WeakPolarHBondContact O-CA 3.36Å; Y173-F186 HydrophobicContact CD1-CB 4.3Å; Y173-F186 HydrophobicContact CD2-CB 4.27Å; Y173-F186 HydrophobicContact CE1-CB 3.78Å; Y173-F186 HydrophobicContact CE2-CB 3.75Å; Y173-F186 AromaticContact CE2-CD2 3.96Å; Y173-F186 HydrophobicContact CE2-CD2 3.96Å; Y173-F186 HydrophobicContact CE2-CG 4.18Å; Y173-F186 VanDerWaalsContact CZ-CB 3.49Å; Y173-F186 PolarHBondContact N-O 3.27Å; Y173-F186 PolarHBondContact O-N 3.32Å; Y173-N188 HydrophobicContact CD1-CB 4.4Å; Y173-N188 HydrophobicContact CE1-CB 4.17Å; Y173-P193 WeakPolarHBondContact OH-CB 3.43Å; Y173-Y548 HydrophobicContact CE2-CE2 4.05Å; Y173-Y548 PolarHBondContact OH-OH 2.88Å; Y173-L569 HydrophobicContact CD2-CD1 3.68Å; Y173-L569 HydrophobicContact CD2-CD2 4.29Å; Y173-L569 HydrophobicContact CD2-CG 3.79Å; Y173-L569 HydrophobicContact CE2-CD1 3.76Å; Y173-L569 HydrophobicContact CE2-CG 4.38Å; Y173-L570 CarbonylContact C-O 3.59Å; Y173-L570 VanDerWaalsContact CA-O 3.31Å; Y173-L570 WeakPolarHBondContact CA-O 3.33Å; Y173-L570 WeakPolarHBondContact CB-O 3.48Å; Y173-W571 HydrophobicContact CD1-CE3 4.04Å; Y173-W571 AromaticContact CD1-CH2 3.69Å; Y173-W571 HydrophobicContact CD1-CH2 3.69Å; Y173-W571 HydrophobicContact CD1-CZ2 4.49Å; Y173-W571 AromaticContact CD1-CZ3 3.45Å; Y173-W571 HydrophobicContact CD1-CZ3 3.45Å; Y173-W571 VanDerWaalsContact CD1-CZ3 3.45Å; Y173-W571 HydrophobicContact CE1-CH2 4.15Å; Y173-W571 HydrophobicContact CE1-CZ3 4.27Å; Y173-W571 HydrophobicContact CG-CE3 4.29Å; Y173-W571 HydrophobicContact CG-CH2 4.4Å; Y173-W571 HydrophobicContact CG-CZ3 4.12Å |
| 174 | S | 92.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139 | 175.3 | 55.8 | 0 | 0 | 0 | 0 | 110 | A184 W209 L569 L570 | S174-A184 CarbonylContact C-O 3.57Å; S174-A184 WeakPolarHBondContact CA-O 3.37Å; S174-W209 PolarHBondContact OG-NE1 3.08Å; S174-L569 VanDerWaalsContact O-CA 3.29Å; S174-L569 WeakPolarHBondContact O-CA 3.36Å; S174-L570 PolarHBondContact N-O 2.94Å; S174-L570 PolarHBondContact O-N 3Å; S174-L570 PolarHBondContact OG-O 2.87Å |
| 175 | V | 92.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.4 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | Y173 Y177 A184 F186 Y548 F566 Q568 L569 | Y173-V175 HydrophobicContact CD2-CG2 3.53Å; Y173-V175 HydrophobicContact CE2-CG2 3.46Å; Y173-V175 VanDerWaalsContact CE2-CG2 3.46Å; V175-Y177 HydrophobicContact CG1-CD1 4.1Å; V175-A184 PolarHBondContact N-O 3.41Å; V175-A184 PolarHBondContact O-N 3.07Å; V175-F186 HydrophobicContact CB-CD2 4.03Å; V175-F186 HydrophobicContact CB-CE2 3.86Å; V175-F186 HydrophobicContact CG2-CD2 3.69Å; V175-F186 HydrophobicContact CG2-CE2 3.95Å; V175-Y548 HydrophobicContact CG1-CE1 4.36Å; V175-Y548 HydrophobicContact CG2-CE1 4.27Å; V175-F566 HydrophobicContact CG1-CD2 3.84Å; V175-F566 HydrophobicContact CG1-CE2 3.76Å; V175-Q568 WeakPolarHBondContact CA-O 3.22Å; V175-L569 HydrophobicContact CG2-CB 4.44Å; V175-L569 HydrophobicContact CG2-CD1 3.89Å; V175-L569 HydrophobicContact CG2-CG 4.06Å |
| 176 | I | 92.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.6 | 169.6 | -56.4 | 176.9 | 0 | 0 | 0 | 108 | T183 T203 V207 C567 Q568 | I176-T183 HydrophobicContact CG1-CG2 4.24Å; I176-T203 HydrophobicContact CD1-CG2 3.85Å; I176-V207 HydrophobicContact CD1-CB 3.95Å; I176-V207 HydrophobicContact CD1-CG1 3.81Å; I176-V207 HydrophobicContact CG1-CG1 4.14Å; I176-C567 HydrophobicContact CB-CB 4.01Å; I176-C567 HydrophobicContact CG2-CB 3.81Å; I176-C567 PolarHBondContact O-N 2.86Å; I176-Q568 HydrophobicContact CD1-CB 4.32Å; I176-Q568 PolarHBondContact N-O 2.98Å |
| 177 | Y | 88.5 | Confident | 86.1 | Confident | 16 Ų | 16 | 30.8 Ų | 30.8 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 174 | 179.9 | 66.8 | -79.4 | 0 | 0 | 0 | 110.9 | V175 A179 G180 R182 A184 E198 K563 | V175-Y177 HydrophobicContact CG1-CD1 4.1Å; Y177-A179 VanDerWaalsContact C-N 3.31Å; Y177-A179 PolarHBondContact O-N 3.11Å; Y177-G180 PolarHBondContact O-N 2.86Å; Y177-R182 HydrophobicContact CD1-CB 4.26Å; Y177-R182 HydrophobicContact CD2-CB 4.46Å; Y177-R182 HydrophobicContact CE1-CB 3.89Å; Y177-R182 HydrophobicContact CE2-CB 4.1Å; Y177-R182 PolarHBondContact N-O 3.38Å; Y177-R182 VanDerWaalsContact N-O 3.13Å; Y177-R182 PolarHBondContact O-N 3.02Å; Y177-A184 HydrophobicContact CE1-CB 3.82Å; Y177-E198 PolarHBondContact OH-OE1 3.41Å; Y177-E198 PolarHBondContact OH-OE2 3.46Å; Y177-K563 HydrophobicContact CD2-CD 4.35Å; Y177-K563 HydrophobicContact CG-CD 4.45Å |
| 178 | E | 86.4 | Confident | 86.6 | Confident | 40 Ų | 40 | 26.7 Ų | 26.7 | 19% | 0.187 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | 55.9 | 42.3 | -169.8 | -69.1 | 174.4 | -168 | 0 | 0 | 112.5 | G180 E181 R182 D564 | E178-G180 PolarHBondContact O-N 2.76Å; E178-E181 HydrophobicContact CB-CB 3.95Å; E178-E181 WeakPolarHBondContact O-CB 3.48Å; E178-E181 WeakPolarHBondContact O-CG 3.4Å; E178-E181 PolarHBondContact O-N 2.86Å; E178-E181 VanDerWaalsContact O-N 3.1Å; E178-R182 VanDerWaalsContact CD-NE 3.33Å; E178-R182 IonicContact OE1-CZ 3.79Å; E178-R182 IonicContact OE1-NE 3.61Å; E178-R182 PolarHBondContact OE1-NE 3.45Å; E178-R182 IonicContact OE1-NH2 3.38Å; E178-R182 WeakPolarHBondContact OE2-CD 3.19Å; E178-R182 WeakPolarHBondContact OE2-CG 3.34Å; E178-R182 IonicContact OE2-CZ 2.8Å; E178-R182 IonicContact OE2-NE 3.68Å; E178-R182 PolarHBondContact OE2-NE 2.86Å; E178-R182 IonicContact OE2-NH2 3.57Å; E178-D564 PolarHBondContact N-O 2.86Å |
| 179 | A | 78.5 | Confident | 87.1 | Confident | 40 Ų | 40 | 25 Ų | 25 | 33% | 0.331 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | 57.6 | 29.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y177 R565 | Y177-A179 VanDerWaalsContact C-N 3.31Å; Y177-A179 PolarHBondContact O-N 3.11Å; A179-R565 HydrophobicContact CB-CB 4.12Å; A179-R565 PolarHBondContact N-O 3.03Å; A179-R565 VanDerWaalsContact N-O 3.13Å |
| 180 | G | 76.5 | Confident | 86.8 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | 95.2 | -3.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y177 E178 R182 | Y177-G180 PolarHBondContact O-N 2.86Å; E178-G180 PolarHBondContact O-N 2.76Å; G180-R182 PolarHBondContact O-N 3.34Å |
| 181 | E | 85.6 | Confident | 86.4 | Confident | 95 Ų | 95 | 24.8 Ų | 24.8 | 44% | 0.444 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -28.5 | 174.8 | -70.5 | 177.5 | -136.6 | 0 | 0 | 112.1 | E178 A200 R201 R565 | E178-E181 HydrophobicContact CB-CB 3.95Å; E178-E181 WeakPolarHBondContact O-CB 3.48Å; E178-E181 WeakPolarHBondContact O-CG 3.4Å; E178-E181 PolarHBondContact O-N 2.86Å; E178-E181 VanDerWaalsContact O-N 3.1Å; E181-A200 CarbonylContact O-C 3.55Å; E181-A200 VanDerWaalsContact O-CA 3.28Å; E181-A200 WeakPolarHBondContact O-CA 3.29Å; E181-R201 PolarHBondContact O-N 3.23Å; E181-R565 IonicContact OE1-CZ 3.39Å; E181-R565 IonicContact OE1-NH1 3.52Å; E181-R565 IonicContact OE1-NH2 3.1Å; E181-R565 PolarHBondContact OE1-NH2 3.34Å |
| 182 | R | 90.2 | Very high | 86 | Confident | 93 Ų | 93 | 29.9 Ų | 29.9 | 35% | 0.351 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 135.8 | 178.5 | -62 | -178.2 | -172.1 | -148.6 | 13 | 111.8 | Y177 E178 G180 E198 | Y177-R182 HydrophobicContact CD1-CB 4.26Å; Y177-R182 HydrophobicContact CD2-CB 4.46Å; Y177-R182 HydrophobicContact CE1-CB 3.89Å; Y177-R182 HydrophobicContact CE2-CB 4.1Å; Y177-R182 PolarHBondContact N-O 3.38Å; Y177-R182 VanDerWaalsContact N-O 3.13Å; Y177-R182 PolarHBondContact O-N 3.02Å; E178-R182 VanDerWaalsContact CD-NE 3.33Å; E178-R182 IonicContact OE1-CZ 3.79Å; E178-R182 IonicContact OE1-NE 3.61Å; E178-R182 PolarHBondContact OE1-NE 3.45Å; E178-R182 IonicContact OE1-NH2 3.38Å; E178-R182 WeakPolarHBondContact OE2-CD 3.19Å; E178-R182 WeakPolarHBondContact OE2-CG 3.34Å; E178-R182 IonicContact OE2-CZ 2.8Å; E178-R182 IonicContact OE2-NE 3.68Å; E178-R182 PolarHBondContact OE2-NE 2.86Å; E178-R182 IonicContact OE2-NH2 3.57Å; G180-R182 PolarHBondContact O-N 3.34Å; R182-E198 WeakPolarHBondContact CD-OE1 3.26Å; R182-E198 IonicContact CZ-OE1 2.91Å; R182-E198 IonicContact NE-OE1 3.65Å; R182-E198 IonicContact NH1-OE1 3.65Å; R182-E198 PolarHBondContact NH1-OE1 2.84Å |
| 183 | T | 92.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.9 | 167.7 | -53.3 | 0 | 0 | 0 | 0 | 108.1 | I176 R199 W202 | I176-T183 HydrophobicContact CG1-CG2 4.24Å; T183-R199 PolarHBondContact N-O 3.38Å; T183-R199 VanDerWaalsContact N-O 3.09Å; T183-R199 PolarHBondContact O-N 2.86Å; T183-W202 HydrophobicContact CG2-CE3 4.08Å |
| 184 | A | 91.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | S174 V175 Y177 F186 L195 E197 E198 | S174-A184 CarbonylContact C-O 3.57Å; S174-A184 WeakPolarHBondContact CA-O 3.37Å; V175-A184 PolarHBondContact N-O 3.41Å; V175-A184 PolarHBondContact O-N 3.07Å; Y177-A184 HydrophobicContact CE1-CB 3.82Å; A184-F186 HydrophobicContact CB-CD2 4.17Å; A184-F186 HydrophobicContact CB-CE2 3.46Å; A184-F186 VanDerWaalsContact CB-CE2 3.46Å; A184-F186 HydrophobicContact CB-CZ 3.71Å; A184-L195 HydrophobicContact CB-CD1 3.72Å; A184-E197 CarbonylContact C-O 3.58Å; A184-E197 VanDerWaalsContact CA-O 3.3Å; A184-E197 WeakPolarHBondContact CA-O 3.44Å; A184-E198 HydrophobicContact CB-CB 4.35Å; A184-E198 HydrophobicContact CB-CG 4.22Å |
| 185 | I | 92.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.4 | 172.4 | -58.1 | 175.7 | 0 | 0 | 0 | 106.3 | Q172 Y173 A196 E197 W202 W209 L216 F232 | Q172-I185 HydrophobicContact CB-CG2 4.35Å; Y173-I185 WeakPolarHBondContact O-CA 3.36Å; I185-A196 HydrophobicContact CG2-CB 4.5Å; I185-A196 WeakPolarHBondContact O-CB 3.3Å; I185-A196 PolarHBondContact O-N 2.87Å; I185-E197 PolarHBondContact N-O 2.86Å; I185-E197 PolarHBondContact O-N 3.34Å; I185-W202 HydrophobicContact CD1-CH2 3.61Å; I185-W202 HydrophobicContact CD1-CZ3 3.71Å; I185-W202 HydrophobicContact CG1-CH2 4.48Å; I185-W202 HydrophobicContact CG1-CZ3 4.09Å; I185-W209 HydrophobicContact CD1-CH2 4.14Å; I185-W209 HydrophobicContact CD1-CZ2 4.46Å; I185-L216 HydrophobicContact CD1-CD2 3.97Å; I185-F232 HydrophobicContact CD1-CD1 3.76Å; I185-F232 HydrophobicContact CD1-CD2 3.64Å; I185-F232 HydrophobicContact CD1-CE1 3.49Å; I185-F232 VanDerWaalsContact CD1-CE1 3.49Å; I185-F232 HydrophobicContact CD1-CE2 3.36Å; I185-F232 HydrophobicContact CD1-CG 3.84Å; I185-F232 HydrophobicContact CD1-CZ 3.28Å; I185-F232 HydrophobicContact CG2-CE2 4.26Å; I185-F232 HydrophobicContact CG2-CZ 4.19Å |
| 186 | F | 91.3 | Very high | 84.8 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 141.2 | 179.6 | -66.4 | -79.8 | 0 | 0 | 0 | 109.7 | Q172 Y173 V175 A184 P193 I194 L195 | Q172-F186 CarbonylContact C-O 3.52Å; Q172-F186 VanDerWaalsContact CA-O 3.25Å; Q172-F186 WeakPolarHBondContact CA-O 3.39Å; Y173-F186 HydrophobicContact CD1-CB 4.3Å; Y173-F186 HydrophobicContact CD2-CB 4.27Å; Y173-F186 HydrophobicContact CE1-CB 3.78Å; Y173-F186 HydrophobicContact CE2-CB 3.75Å; Y173-F186 AromaticContact CE2-CD2 3.96Å; Y173-F186 HydrophobicContact CE2-CD2 3.96Å; Y173-F186 HydrophobicContact CE2-CG 4.18Å; Y173-F186 VanDerWaalsContact CZ-CB 3.49Å; Y173-F186 PolarHBondContact N-O 3.27Å; Y173-F186 PolarHBondContact O-N 3.32Å; V175-F186 HydrophobicContact CB-CD2 4.03Å; V175-F186 HydrophobicContact CB-CE2 3.86Å; V175-F186 HydrophobicContact CG2-CD2 3.69Å; V175-F186 HydrophobicContact CG2-CE2 3.95Å; A184-F186 HydrophobicContact CB-CD2 4.17Å; A184-F186 HydrophobicContact CB-CE2 3.46Å; A184-F186 VanDerWaalsContact CB-CE2 3.46Å; A184-F186 HydrophobicContact CB-CZ 3.71Å; F186-P193 HydrophobicContact CB-CB 4.27Å; F186-P193 HydrophobicContact CD1-CB 4.02Å; F186-P193 HydrophobicContact CG-CB 4.32Å; F186-I194 CarbonylContact C-O 3.57Å; F186-I194 VanDerWaalsContact CA-O 3.31Å; F186-I194 WeakPolarHBondContact CA-O 3.35Å; F186-L195 HydrophobicContact CD1-CB 4.29Å; F186-L195 HydrophobicContact CD1-CD1 3.99Å; F186-L195 HydrophobicContact CE1-CB 4.06Å; F186-L195 HydrophobicContact CE1-CD1 3.46Å; F186-L195 VanDerWaalsContact CE1-CD1 3.46Å; F186-L195 HydrophobicContact CE1-CG 4.38Å; F186-L195 HydrophobicContact CZ-CD1 3.78Å |
| 187 | S | 89 | Confident | 84.7 | Confident | 16 Ų | 16 | 41 Ų | 41 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 131.1 | 163.4 | -65 | 0 | 0 | 0 | 0 | 108.7 | Q172 D189 I194 | Q172-S187 PolarHBondContact NE2-OG 3.33Å; S187-D189 PolarHBondContact O-N 3.4Å; S187-I194 PolarHBondContact N-O 3.05Å; S187-I194 PolarHBondContact O-N 2.88Å |
| 188 | N | 84.6 | Confident | 84.8 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | trans | -72.9 | 117 | -179.6 | -175.3 | 24.3 | 0 | 0 | 0 | 110.4 | R170 D171 Y173 Y532 L550 W571 | R170-N188 WeakPolarHBondContact CB-O 3.42Å; R170-N188 WeakPolarHBondContact CG-O 3.45Å; D171-N188 WeakPolarHBondContact O-CB 3.3Å; D171-N188 PolarHBondContact O-N 3.47Å; Y173-N188 HydrophobicContact CD1-CB 4.4Å; Y173-N188 HydrophobicContact CE1-CB 4.17Å; N188-Y532 WeakPolarHBondContact ND2-CD2 3.49Å; N188-Y532 WeakPolarHBondContact ND2-CE2 3.49Å; N188-L550 WeakPolarHBondContact OD1-CD2 3.25Å; N188-W571 HydrophobicContact CB-CH2 3.86Å; N188-W571 HydrophobicContact CB-CZ3 3.84Å | ||
| 189 | D | 80.9 | Confident | 85 | Confident | 42 Ų | 42 | 45 Ų | 45 | 23% | 0.225 | 24% | 0.24 | C | C | . | . | trans | -125.9 | 150.8 | 167.1 | -175.3 | 23 | 0 | 0 | 0 | 108.6 | S187 K191 I194 Q559 | S187-D189 PolarHBondContact O-N 3.4Å; D189-K191 PolarHBondContact O-N 3.01Å; D189-I194 HydrophobicContact CB-CD1 4Å; D189-I194 HydrophobicContact CB-CG1 4.33Å; D189-Q559 PolarHBondContact O-NE2 2.91Å | ||
| 190 | A | 69.2 | Low | 85.6 | Confident | 47 Ų | 47 | 47 Ų | 47 | 39% | 0.388 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -66.7 | -21.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q559 | A190-Q559 PolarHBondContact O-NE2 2.95Å; A190-Q559 VanDerWaalsContact O-NE2 3.16Å |
| 191 | K | 72.9 | Confident | 86.2 | Confident | 72 Ų | 72 | 56 Ų | 56 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -95.3 | -61 | -176.8 | -69.7 | -177.8 | 174.8 | -175.1 | 0 | 113 | D189 Q559 S605 Q606 A609 | D189-K191 PolarHBondContact O-N 3.01Å; K191-Q559 WeakPolarHBondContact O-CG 3.29Å; K191-Q559 PolarHBondContact O-NE2 3.36Å; K191-S605 PolarHBondContact NZ-O 2.97Å; K191-Q606 PolarHBondContact NZ-O 3.07Å; K191-A609 HydrophobicContact CD-CB 4.27Å |
| 192 | D | 76.1 | Confident | 86.4 | Confident | 113 Ų | 113 | 51.9 Ų | 51.9 | 60% | 0.604 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -141.2 | 143.4 | 178.4 | -68.9 | -61.5 | 0 | 0 | 0 | 109.6 | I194 | D192-I194 PolarHBondContact O-N 2.8Š|
| 193 | P | 82.1 | Confident | 86.4 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | trans | -68.6 | 127.2 | 177.4 | 30.6 | -33.7 | 0 | 0 | 0 | 109.9 | Y173 F186 | Y173-P193 WeakPolarHBondContact OH-CB 3.43Å; F186-P193 HydrophobicContact CB-CB 4.27Å; F186-P193 HydrophobicContact CD1-CB 4.02Å; F186-P193 HydrophobicContact CG-CB 4.32Å | ||
| 194 | I | 85.9 | Confident | 86.1 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 35% | 0.349 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 123.3 | -178.2 | -61.7 | 166.9 | 0 | 0 | 0 | 108.2 | F186 S187 D189 D192 A196 | F186-I194 CarbonylContact C-O 3.57Å; F186-I194 VanDerWaalsContact CA-O 3.31Å; F186-I194 WeakPolarHBondContact CA-O 3.35Å; S187-I194 PolarHBondContact N-O 3.05Å; S187-I194 PolarHBondContact O-N 2.88Å; D189-I194 HydrophobicContact CB-CD1 4Å; D189-I194 HydrophobicContact CB-CG1 4.33Å; D192-I194 PolarHBondContact O-N 2.8Å; I194-A196 PolarHBondContact O-N 2.97Å |
| 195 | L | 87.9 | Confident | 85.8 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 115.9 | 175.9 | -174.7 | 69.3 | 0 | 0 | 0 | 109.8 | A184 F186 E198 | A184-L195 HydrophobicContact CB-CD1 3.72Å; F186-L195 HydrophobicContact CD1-CB 4.29Å; F186-L195 HydrophobicContact CD1-CD1 3.99Å; F186-L195 HydrophobicContact CE1-CB 4.06Å; F186-L195 HydrophobicContact CE1-CD1 3.46Å; F186-L195 VanDerWaalsContact CE1-CD1 3.46Å; F186-L195 HydrophobicContact CE1-CG 4.38Å; F186-L195 HydrophobicContact CZ-CD1 3.78Å; L195-E198 HydrophobicContact CD1-CB 4.05Å; L195-E198 HydrophobicContact CD2-CB 4.04Å; L195-E198 HydrophobicContact CG-CB 4.45Å |
| 196 | A | 86.9 | Confident | 85.6 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -56 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I185 I194 | I185-A196 HydrophobicContact CG2-CB 4.5Å; I185-A196 WeakPolarHBondContact O-CB 3.3Å; I185-A196 PolarHBondContact O-N 2.87Å; I194-A196 PolarHBondContact O-N 2.97Å |
| 197 | E | 89.1 | Confident | 85.7 | Confident | 37 Ų | 37 | 57 Ų | 57 | 17% | 0.173 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 144.8 | 174 | -70.5 | -150.9 | 163.9 | 0 | 0 | 111.5 | A184 I185 R199 K231 F232 | A184-E197 CarbonylContact C-O 3.58Å; A184-E197 VanDerWaalsContact CA-O 3.3Å; A184-E197 WeakPolarHBondContact CA-O 3.44Å; I185-E197 PolarHBondContact N-O 2.86Å; I185-E197 PolarHBondContact O-N 3.34Å; E197-R199 IonicContact OE1-NH2 3.79Å; E197-R199 IonicContact OE2-CZ 3.87Å; E197-R199 IonicContact OE2-NE 3.66Å; E197-R199 IonicContact OE2-NH2 2.98Å; E197-R199 PolarHBondContact OE2-NH2 3.46Å; E197-K231 WeakPolarHBondContact OE1-CA 3.35Å; E197-F232 HydrophobicContact CG-CD2 4.19Å |
| 198 | E | 91.1 | Very high | 85.8 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 134.6 | 171.9 | -173.5 | 171.3 | 142 | 0 | 0 | 109.7 | Y177 R182 A184 L195 | Y177-E198 PolarHBondContact OH-OE1 3.41Å; Y177-E198 PolarHBondContact OH-OE2 3.46Å; R182-E198 WeakPolarHBondContact CD-OE1 3.26Å; R182-E198 IonicContact CZ-OE1 2.91Å; R182-E198 IonicContact NE-OE1 3.65Å; R182-E198 IonicContact NH1-OE1 3.65Å; R182-E198 PolarHBondContact NH1-OE1 2.84Å; A184-E198 HydrophobicContact CB-CB 4.35Å; A184-E198 HydrophobicContact CB-CG 4.22Å; L195-E198 HydrophobicContact CD1-CB 4.05Å; L195-E198 HydrophobicContact CD2-CB 4.04Å; L195-E198 HydrophobicContact CG-CB 4.45Å |
| 199 | R | 90.9 | Very high | 86.3 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 28% | 0.275 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 136.1 | 174.4 | -63.8 | -174.8 | -173 | 169.7 | 9.2 | 110.8 | T183 E197 W202 K231 F232 | T183-R199 PolarHBondContact N-O 3.38Å; T183-R199 VanDerWaalsContact N-O 3.09Å; T183-R199 PolarHBondContact O-N 2.86Å; E197-R199 IonicContact OE1-NH2 3.79Å; E197-R199 IonicContact OE2-CZ 3.87Å; E197-R199 IonicContact OE2-NE 3.66Å; E197-R199 IonicContact OE2-NH2 2.98Å; E197-R199 PolarHBondContact OE2-NH2 3.46Å; R199-W202 HydrophobicContact CB-CB 3.97Å; R199-W202 HydrophobicContact CB-CD2 4.03Å; R199-W202 HydrophobicContact CB-CE3 3.89Å; R199-W202 HydrophobicContact CB-CG 4.08Å; R199-W202 HydrophobicContact CG-CD2 4.35Å; R199-W202 HydrophobicContact CG-CE3 4.12Å; R199-W202 HydrophobicContact CG-CZ3 4.48Å; R199-K231 PolarHBondContact NH2-O 2.88Å; R199-F232 PolarHBondContact NH1-O 2.75Å; R199-F232 PolarHBondContact NH2-O 3.39Å |
| 200 | A | 91.1 | Very high | 86.9 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 66% | 0.661 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 134.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | E181 W202 | E181-A200 CarbonylContact O-C 3.55Å; E181-A200 VanDerWaalsContact O-CA 3.28Å; E181-A200 WeakPolarHBondContact O-CA 3.29Å; A200-W202 PolarHBondContact O-N 2.88Å |
| 201 | R | 87.8 | Confident | 87.9 | Confident | 199 Ų | 199 | 58.6 Ų | 58.6 | 75% | 0.751 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 41.8 | 178.9 | -63.6 | -176.9 | -72.1 | -167.5 | -4.8 | 113 | E181 T203 | E181-R201 PolarHBondContact O-N 3.23Å; R201-T203 VanDerWaalsContact C-N 3.27Å; R201-T203 PolarHBondContact O-N 3.3Å |
| 202 | W | 90.6 | Very high | 88.7 | Confident | 8 Ų | 8 | 58 Ų | 58 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -67.9 | -31.8 | 177.6 | -160.6 | -4 | 0 | 0 | 0 | 111.9 | T183 I185 R199 A200 L216 T218 H220 W227 F232 | T183-W202 HydrophobicContact CG2-CE3 4.08Å; I185-W202 HydrophobicContact CD1-CH2 3.61Å; I185-W202 HydrophobicContact CD1-CZ3 3.71Å; I185-W202 HydrophobicContact CG1-CH2 4.48Å; I185-W202 HydrophobicContact CG1-CZ3 4.09Å; R199-W202 HydrophobicContact CB-CB 3.97Å; R199-W202 HydrophobicContact CB-CD2 4.03Å; R199-W202 HydrophobicContact CB-CE3 3.89Å; R199-W202 HydrophobicContact CB-CG 4.08Å; R199-W202 HydrophobicContact CG-CD2 4.35Å; R199-W202 HydrophobicContact CG-CE3 4.12Å; R199-W202 HydrophobicContact CG-CZ3 4.48Å; A200-W202 PolarHBondContact O-N 2.88Å; W202-L216 HydrophobicContact CH2-CD2 3.95Å; W202-L216 HydrophobicContact CZ2-CD2 3.97Å; W202-L216 HydrophobicContact CZ3-CD2 4.38Å; W202-T218 HydrophobicContact CG-CG2 4.21Å; W202-T218 VanDerWaalsContact O-CB 3.3Å; W202-T218 WeakPolarHBondContact O-CB 3.24Å; W202-T218 WeakPolarHBondContact O-CG2 3.21Å; W202-H220 PolarHBondContact O-CE1 3.33Å; W202-H220 PolarHBondContact O-NE2 3.3Å; W202-W227 AromaticContact CD1-CE2 3.7Å; W202-W227 AromaticContact CD1-CZ2 3.69Å; W202-W227 AromaticContact CD1-NE1 3.87Å; W202-W227 AromaticContact CE2-CD2 3.98Å; W202-W227 HydrophobicContact CZ2-CB 4.11Å; W202-W227 HydrophobicContact CZ2-CD2 4.07Å; W202-W227 HydrophobicContact CZ2-CE3 4.3Å; W202-W227 AromaticContact CZ2-CG 3.98Å; W202-W227 HydrophobicContact CZ2-CG 3.98Å; W202-W227 AromaticContact NE1-CD1 3.62Å; W202-W227 AromaticContact NE1-CD2 3.23Å; W202-W227 AromaticContact NE1-CE2 3.02Å; W202-W227 AromaticContact NE1-CE3 3.78Å; W202-W227 AromaticContact NE1-CG 3.62Å; W202-W227 AromaticContact NE1-CH2 3.89Å; W202-W227 AromaticContact NE1-CZ2 3.38Å; W202-W227 AromaticContact NE1-NE1 3.26Å; W202-F232 HydrophobicContact CH2-CB 3.47Å; W202-F232 VanDerWaalsContact CH2-CB 3.47Å; W202-F232 HydrophobicContact CH2-CD1 4.15Å; W202-F232 HydrophobicContact CH2-CD2 4.32Å; W202-F232 AromaticContact CH2-CG 3.73Å; W202-F232 HydrophobicContact CH2-CG 3.73Å; W202-F232 HydrophobicContact CZ2-CB 3.62Å; W202-F232 HydrophobicContact CZ2-CD1 4.48Å; W202-F232 HydrophobicContact CZ2-CG 4.23Å |
| 203 | T | 89.2 | Confident | 89.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | trans | -135.1 | 152 | 170.8 | -164.9 | 0 | 0 | 0 | 0 | 109.3 | I176 R201 Y206 F219 | I176-T203 HydrophobicContact CD1-CG2 3.85Å; R201-T203 VanDerWaalsContact C-N 3.27Å; R201-T203 PolarHBondContact O-N 3.3Å; T203-Y206 PolarHBondContact OG1-O 2.88Å; T203-F219 PolarHBondContact OG1-N 3.11Å; T203-F219 PolarHBondContact OG1-O 3.4Å | ||
| 204 | E | 86.4 | Confident | 89.7 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 45% | 0.453 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -93.1 | -28.9 | 178.1 | -69.2 | 171.1 | -164.3 | 0 | 0 | 112.6 | F219 H220 Q221 | E204-F219 PolarHBondContact N-O 2.76Å; E204-H220 IonicContact OE1-ND1 3.91Å; E204-Q221 VanDerWaalsContact OE2-CG 3.29Å; E204-Q221 WeakPolarHBondContact OE2-CG 3.32Å; E204-Q221 PolarHBondContact OE2-N 2.66Å |
| 205 | T | 85.6 | Confident | 90 | Very high | 68 Ų | 68 | 50 Ų | 50 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -117.7 | -77.7 | -176.3 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | F219 W540 | T205-F219 WeakPolarHBondContact OG1-CB 3.48Å; T205-W540 WeakPolarHBondContact O-CZ2 3.34Å |
| 206 | Y | 88.8 | Confident | 90.2 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 18% | 0.18 | 23% | 0.228 | C | C | . | . | trans | -142.4 | 179.2 | 179.9 | 70.3 | -86.9 | 0 | 0 | 0 | 110.4 | T203 R208 F219 S244 | T203-Y206 PolarHBondContact OG1-O 2.88Å; Y206-R208 HydrophobicContact CE2-CB 4.37Å; Y206-F219 HydrophobicContact CD1-CD2 4.5Å; Y206-F219 HydrophobicContact CD1-CE2 4.38Å; Y206-F219 HydrophobicContact CD1-CZ 4.41Å; Y206-F219 HydrophobicContact CD2-CD2 4.44Å; Y206-F219 AromaticContact CD2-CE2 3.85Å; Y206-F219 HydrophobicContact CD2-CE2 3.85Å; Y206-F219 HydrophobicContact CD2-CZ 4.21Å; Y206-F219 HydrophobicContact CE1-CD1 4.19Å; Y206-F219 HydrophobicContact CE1-CD2 4.48Å; Y206-F219 AromaticContact CE1-CE1 3.73Å; Y206-F219 HydrophobicContact CE1-CE1 3.73Å; Y206-F219 HydrophobicContact CE1-CE2 4.07Å; Y206-F219 AromaticContact CE1-CZ 3.66Å; Y206-F219 HydrophobicContact CE1-CZ 3.66Å; Y206-F219 HydrophobicContact CE2-CD2 4.43Å; Y206-F219 HydrophobicContact CE2-CE1 4.34Å; Y206-F219 AromaticContact CE2-CE2 3.5Å; Y206-F219 HydrophobicContact CE2-CE2 3.5Å; Y206-F219 VanDerWaalsContact CE2-CE2 3.5Å; Y206-F219 AromaticContact CE2-CZ 3.44Å; Y206-F219 HydrophobicContact CE2-CZ 3.44Å; Y206-F219 VanDerWaalsContact CE2-CZ 3.44Å; Y206-F219 HydrophobicContact CG-CD2 4.49Å; Y206-F219 HydrophobicContact CG-CE2 4.29Å; Y206-F219 AromaticContact CZ-CE1 3.61Å; Y206-F219 AromaticContact CZ-CE2 3.63Å; Y206-F219 AromaticContact CZ-CZ 3.12Å; Y206-F219 WeakPolarHBondContact O-CD2 3.09Å; Y206-F219 WeakPolarHBondContact OH-CZ 3.47Å; Y206-S244 WeakPolarHBondContact CE1-O 3.28Å; Y206-S244 PolarHBondContact OH-O 3.09Å | ||
| 207 | V | 92.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.4 | 179.5 | 75.3 | 0 | 0 | 0 | 0 | 109.4 | I176 L216 A217 T218 Q568 L570 | I176-V207 HydrophobicContact CD1-CB 3.95Å; I176-V207 HydrophobicContact CD1-CG1 3.81Å; I176-V207 HydrophobicContact CG1-CG1 4.14Å; V207-L216 HydrophobicContact CG2-CD1 3.29Å; V207-L216 HydrophobicContact CG2-CD2 4.02Å; V207-L216 HydrophobicContact CG2-CG 3.58Å; V207-A217 WeakPolarHBondContact CG2-O 3.4Å; V207-T218 HydrophobicContact CG2-CG2 4.38Å; V207-Q568 PolarHBondContact O-OE1 3Å; V207-L570 WeakPolarHBondContact O-CD1 3.49Å |
| 208 | R | 93 | Very high | 90.8 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 28% | 0.283 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 127.6 | 176.2 | -168.3 | 168.2 | -177.4 | 178 | -4.6 | 111.1 | Y206 A217 F219 I246 D247 | Y206-R208 HydrophobicContact CE2-CB 4.37Å; R208-A217 PolarHBondContact N-O 2.91Å; R208-A217 VanDerWaalsContact N-O 3.1Å; R208-A217 WeakPolarHBondContact O-CB 3.28Å; R208-A217 PolarHBondContact O-N 3.26Å; R208-F219 HydrophobicContact CB-CE2 4.46Å; R208-I246 HydrophobicContact CB-CD1 4.12Å; R208-I246 HydrophobicContact CB-CG1 4.48Å; R208-I246 PolarHBondContact NH1-O 3.29Å; R208-D247 IonicContact CZ-OD1 3.64Å; R208-D247 IonicContact NH1-OD1 2.95Å; R208-D247 PolarHBondContact NH1-OD1 3.21Å; R208-D247 IonicContact NH2-OD1 3.82Å; R208-D247 PolarHBondContact NH2-OD1 3.47Å |
| 209 | W | 94.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 39 Ų | 39 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 148.8 | 171.2 | -69.1 | 103.8 | 0 | 0 | 0 | 111.4 | S174 I185 L216 F232 R572 P573 | S174-W209 PolarHBondContact OG-NE1 3.08Å; I185-W209 HydrophobicContact CD1-CH2 4.14Å; I185-W209 HydrophobicContact CD1-CZ2 4.46Å; W209-L216 HydrophobicContact CD2-CD1 3.5Å; W209-L216 VanDerWaalsContact CE2-CD1 3.49Å; W209-L216 HydrophobicContact CE3-CB 4.09Å; W209-L216 HydrophobicContact CE3-CD1 3.67Å; W209-L216 HydrophobicContact CG-CD1 4.12Å; W209-L216 HydrophobicContact CH2-CB 4.33Å; W209-L216 HydrophobicContact CH2-CD1 3.86Å; W209-L216 HydrophobicContact CH2-CD2 4.47Å; W209-L216 HydrophobicContact CH2-CG 4.48Å; W209-L216 HydrophobicContact CZ2-CD1 3.68Å; W209-L216 HydrophobicContact CZ3-CB 3.86Å; W209-L216 HydrophobicContact CZ3-CD1 3.85Å; W209-L216 HydrophobicContact CZ3-CG 4.4Å; W209-F232 AromaticContact CH2-CE1 3.59Å; W209-F232 HydrophobicContact CH2-CE1 3.59Å; W209-F232 AromaticContact CH2-CZ 3.85Å; W209-F232 HydrophobicContact CH2-CZ 3.85Å; W209-F232 AromaticContact CZ3-CE1 3.81Å; W209-F232 HydrophobicContact CZ3-CE1 3.81Å; W209-F232 HydrophobicContact CZ3-CZ 4.4Å; W209-R572 HydrophobicContact CD2-CB 4.2Å; W209-R572 HydrophobicContact CD2-CG 4.01Å; W209-R572 HydrophobicContact CE3-CB 4.47Å; W209-R572 HydrophobicContact CE3-CG 3.81Å; W209-R572 HydrophobicContact CH2-CB 4.31Å; W209-R572 HydrophobicContact CH2-CG 3.96Å; W209-R572 HydrophobicContact CZ2-CB 4.03Å; W209-R572 HydrophobicContact CZ2-CG 4.17Å; W209-R572 HydrophobicContact CZ3-CG 3.77Å; W209-P573 HydrophobicContact CB-CG 4.01Å |
| 210 | S | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -68.2 | 155.9 | 165.9 | 69.8 | 0 | 0 | 0 | 0 | 110.8 | K212 G213 T214 Y215 E252 P573 | S210-K212 PolarHBondContact O-N 3.31Å; S210-G213 PolarHBondContact O-N 3.09Å; S210-G213 PolarHBondContact OG-N 3.01Å; S210-T214 PolarHBondContact OG-N 2.86Å; S210-T214 VanDerWaalsContact OG-N 3.07Å; S210-Y215 PolarHBondContact N-O 3.04Å; S210-Y215 PolarHBondContact OG-N 3.14Å; S210-Y215 PolarHBondContact OG-O 2.97Å; S210-E252 WeakPolarHBondContact CB-OE1 3.29Å; S210-E252 PolarHBondContact OG-OE1 2.82Å; S210-P573 WeakPolarHBondContact O-CG 3.18Å | ||
| 211 | P | 90.5 | Very high | 90.6 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 38% | 0.377 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.2 | -174 | -31.5 | 36.2 | 0 | 0 | 0 | 116 | F248 P573 | P211-F248 HydrophobicContact CG-CB 3.75Å; P211-P573 VanDerWaalsContact O-CB 3.32Å; P211-P573 WeakPolarHBondContact O-CB 3.39Å |
| 212 | K | 88.8 | Confident | 90.5 | Very high | 58 Ų | 58 | 42.1 Ų | 42.1 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 7.3 | 176 | -48.7 | 176.6 | 179.9 | 168 | 0 | 113.1 | S210 T214 E252 P573 P575 | S210-K212 PolarHBondContact O-N 3.31Å; K212-T214 PolarHBondContact O-N 2.84Å; K212-E252 VanDerWaalsContact CA-OE1 3.32Å; K212-E252 WeakPolarHBondContact CA-OE1 3.33Å; K212-E252 VanDerWaalsContact CB-CD 3.48Å; K212-E252 HydrophobicContact CB-CG 4.44Å; K212-E252 WeakPolarHBondContact CB-OE1 3.43Å; K212-E252 HydrophobicContact CD-CG 4.25Å; K212-E252 HydrophobicContact CG-CG 4.12Å; K212-E252 PolarHBondContact N-OE1 2.79Å; K212-P573 CarbonylContact C-O 3.58Å; K212-P575 HydrophobicContact CB-CB 4.1Å; K212-P575 WeakPolarHBondContact O-CD 3.19Å |
| 213 | G | 89.6 | Confident | 90.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 72 | 8.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | W163 S210 R572 P573 | W163-G213 WeakPolarHBondContact CH2-O 3.45Å; S210-G213 PolarHBondContact O-N 3.09Å; S210-G213 PolarHBondContact OG-N 3.01Å; G213-R572 VanDerWaalsContact O-CZ 3.28Å; G213-R572 PolarHBondContact O-NE 2.88Å; G213-R572 PolarHBondContact O-NH2 3.36Å; G213-P573 WeakPolarHBondContact CA-O 3.46Å; G213-P573 PolarHBondContact N-O 2.92Å |
| 214 | T | 90.1 | Very high | 90.6 | Very high | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -63.2 | -41.4 | 178.6 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | M160 S210 K212 E252 | M160-T214 HydrophobicContact CB-CG2 4.07Å; M160-T214 HydrophobicContact CE-CG2 3.59Å; M160-T214 WeakPolarHBondContact CE-O 3.5Å; S210-T214 PolarHBondContact OG-N 2.86Å; S210-T214 VanDerWaalsContact OG-N 3.07Å; K212-T214 PolarHBondContact O-N 2.84Å; T214-E252 VanDerWaalsContact CB-OE2 3.26Å; T214-E252 WeakPolarHBondContact CB-OE2 3.27Å; T214-E252 PolarHBondContact OG1-OE1 2.96Å; T214-E252 PolarHBondContact OG1-OE2 2.87Å |
| 215 | Y | 92.2 | Very high | 90.9 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | trans | -121 | 146.4 | -176.6 | -54.4 | -71.5 | 0 | 0 | 0 | 111.5 | M160 S210 W227 I235 I276 | M160-Y215 HydrophobicContact CE-CD1 3.71Å; M160-Y215 HydrophobicContact CE-CE1 3.36Å; S210-Y215 PolarHBondContact N-O 3.04Å; S210-Y215 PolarHBondContact OG-N 3.14Å; S210-Y215 PolarHBondContact OG-O 2.97Å; Y215-W227 CarbonylContact C-O 3.51Å; Y215-W227 WeakPolarHBondContact CA-O 3.5Å; Y215-I235 HydrophobicContact CD1-CD1 3.87Å; Y215-I235 HydrophobicContact CE1-CD1 3.64Å; Y215-I235 HydrophobicContact CE1-CG2 4.41Å; Y215-I276 HydrophobicContact CD2-CG2 4.35Å; Y215-I276 HydrophobicContact CE2-CG2 3.82Å | ||
| 216 | L | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.8 | 166.9 | -173.3 | 69.1 | 0 | 0 | 0 | 108.5 | I185 W202 V207 W209 W227 F232 | I185-L216 HydrophobicContact CD1-CD2 3.97Å; W202-L216 HydrophobicContact CH2-CD2 3.95Å; W202-L216 HydrophobicContact CZ2-CD2 3.97Å; W202-L216 HydrophobicContact CZ3-CD2 4.38Å; V207-L216 HydrophobicContact CG2-CD1 3.29Å; V207-L216 HydrophobicContact CG2-CD2 4.02Å; V207-L216 HydrophobicContact CG2-CG 3.58Å; W209-L216 HydrophobicContact CD2-CD1 3.5Å; W209-L216 VanDerWaalsContact CE2-CD1 3.49Å; W209-L216 HydrophobicContact CE3-CB 4.09Å; W209-L216 HydrophobicContact CE3-CD1 3.67Å; W209-L216 HydrophobicContact CG-CD1 4.12Å; W209-L216 HydrophobicContact CH2-CB 4.33Å; W209-L216 HydrophobicContact CH2-CD1 3.86Å; W209-L216 HydrophobicContact CH2-CD2 4.47Å; W209-L216 HydrophobicContact CH2-CG 4.48Å; W209-L216 HydrophobicContact CZ2-CD1 3.68Å; W209-L216 HydrophobicContact CZ3-CB 3.86Å; W209-L216 HydrophobicContact CZ3-CD1 3.85Å; W209-L216 HydrophobicContact CZ3-CG 4.4Å; L216-W227 HydrophobicContact CB-CB 4.33Å; L216-W227 PolarHBondContact N-O 3.42Å; L216-W227 PolarHBondContact O-N 3.32Å; L216-F232 HydrophobicContact CB-CD1 4.44Å; L216-F232 HydrophobicContact CD2-CD1 4.47Å |
| 217 | A | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V207 R208 I224 A225 L226 I246 F248 | V207-A217 WeakPolarHBondContact CG2-O 3.4Å; R208-A217 PolarHBondContact N-O 2.91Å; R208-A217 VanDerWaalsContact N-O 3.1Å; R208-A217 WeakPolarHBondContact O-CB 3.28Å; R208-A217 PolarHBondContact O-N 3.26Å; A217-I224 HydrophobicContact CB-CG2 4.36Å; A217-A225 WeakPolarHBondContact CA-O 3.32Å; A217-L226 HydrophobicContact CB-CD2 3.79Å; A217-I246 HydrophobicContact CB-CD1 3.26Å; A217-F248 HydrophobicContact CB-CE2 3.93Å; A217-F248 HydrophobicContact CB-CZ 3.84Å |
| 218 | T | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 149.9 | 172.6 | 64.5 | 0 | 0 | 0 | 0 | 111 | W202 V207 H220 I224 A225 W227 | W202-T218 HydrophobicContact CG-CG2 4.21Å; W202-T218 VanDerWaalsContact O-CB 3.3Å; W202-T218 WeakPolarHBondContact O-CB 3.24Å; W202-T218 WeakPolarHBondContact O-CG2 3.21Å; V207-T218 HydrophobicContact CG2-CG2 4.38Å; T218-H220 PolarHBondContact OG1-NE2 3Å; T218-I224 WeakPolarHBondContact O-CA 3.16Å; T218-I224 WeakPolarHBondContact O-CG2 3.43Å; T218-A225 PolarHBondContact N-O 3.2Å; T218-A225 PolarHBondContact O-N 3.1Å; T218-A225 VanDerWaalsContact O-N 3.14Å; T218-W227 PolarHBondContact OG1-NE1 3.13Å |
| 219 | F | 92.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.7 | -174.7 | -71.1 | -108.8 | 0 | 0 | 0 | 109.5 | T203 E204 T205 Y206 R208 V243 I246 | T203-F219 PolarHBondContact OG1-N 3.11Å; T203-F219 PolarHBondContact OG1-O 3.4Å; E204-F219 PolarHBondContact N-O 2.76Å; T205-F219 WeakPolarHBondContact OG1-CB 3.48Å; Y206-F219 HydrophobicContact CD1-CD2 4.5Å; Y206-F219 HydrophobicContact CD1-CE2 4.38Å; Y206-F219 HydrophobicContact CD1-CZ 4.41Å; Y206-F219 HydrophobicContact CD2-CD2 4.44Å; Y206-F219 AromaticContact CD2-CE2 3.85Å; Y206-F219 HydrophobicContact CD2-CE2 3.85Å; Y206-F219 HydrophobicContact CD2-CZ 4.21Å; Y206-F219 HydrophobicContact CE1-CD1 4.19Å; Y206-F219 HydrophobicContact CE1-CD2 4.48Å; Y206-F219 AromaticContact CE1-CE1 3.73Å; Y206-F219 HydrophobicContact CE1-CE1 3.73Å; Y206-F219 HydrophobicContact CE1-CE2 4.07Å; Y206-F219 AromaticContact CE1-CZ 3.66Å; Y206-F219 HydrophobicContact CE1-CZ 3.66Å; Y206-F219 HydrophobicContact CE2-CD2 4.43Å; Y206-F219 HydrophobicContact CE2-CE1 4.34Å; Y206-F219 AromaticContact CE2-CE2 3.5Å; Y206-F219 HydrophobicContact CE2-CE2 3.5Å; Y206-F219 VanDerWaalsContact CE2-CE2 3.5Å; Y206-F219 AromaticContact CE2-CZ 3.44Å; Y206-F219 HydrophobicContact CE2-CZ 3.44Å; Y206-F219 VanDerWaalsContact CE2-CZ 3.44Å; Y206-F219 HydrophobicContact CG-CD2 4.49Å; Y206-F219 HydrophobicContact CG-CE2 4.29Å; Y206-F219 AromaticContact CZ-CE1 3.61Å; Y206-F219 AromaticContact CZ-CE2 3.63Å; Y206-F219 AromaticContact CZ-CZ 3.12Å; Y206-F219 WeakPolarHBondContact O-CD2 3.09Å; Y206-F219 WeakPolarHBondContact OH-CZ 3.47Å; R208-F219 HydrophobicContact CB-CE2 4.46Å; F219-V243 HydrophobicContact CE1-CG1 4.34Å; F219-I246 HydrophobicContact CE1-CB 4.48Å; F219-I246 HydrophobicContact CE1-CG1 4.43Å; F219-I246 HydrophobicContact CE1-CG2 3.64Å; F219-I246 HydrophobicContact CE2-CD1 3.74Å; F219-I246 HydrophobicContact CE2-CG1 4.23Å; F219-I246 HydrophobicContact CZ-CB 4.12Å; F219-I246 HydrophobicContact CZ-CD1 3.58Å; F219-I246 HydrophobicContact CZ-CG1 3.6Å; F219-I246 HydrophobicContact CZ-CG2 3.69Å |
| 220 | H | 90.4 | Very high | 90.3 | Very high | 49 Ų | 49 | 36 Ų | 36 | 23% | 0.227 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152 | 173.4 | -51.7 | -80.9 | 0 | 0 | 0 | 109.3 | W202 E204 T218 R222 G223 | W202-H220 PolarHBondContact O-CE1 3.33Å; W202-H220 PolarHBondContact O-NE2 3.3Å; E204-H220 IonicContact OE1-ND1 3.91Å; T218-H220 PolarHBondContact OG1-NE2 3Å; H220-R222 PolarHBondContact O-N 2.84Å; H220-R222 VanDerWaalsContact O-N 3.14Å; H220-G223 CarbonylContact C-O 3.58Å; H220-G223 WeakPolarHBondContact CA-O 3.3Å; H220-G223 VanDerWaalsContact CB-O 3.27Å; H220-G223 WeakPolarHBondContact CB-O 3.49Å; H220-G223 PolarHBondContact N-O 3.29Å; H220-G223 CarbonylContact O-C 3.37Å; H220-G223 PolarHBondContact O-N 2.83Å |
| 221 | Q | 85.9 | Confident | 89.9 | Confident | 151 Ų | 151 | 42.3 Ų | 42.3 | 71% | 0.706 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -35.2 | 176.7 | -82.4 | 172.8 | 11.1 | 0 | 0 | 113.5 | E204 Q241 G242 | E204-Q221 VanDerWaalsContact OE2-CG 3.29Å; E204-Q221 WeakPolarHBondContact OE2-CG 3.32Å; E204-Q221 PolarHBondContact OE2-N 2.66Å; Q221-Q241 WeakPolarHBondContact O-CA 3.34Å; Q221-G242 PolarHBondContact O-N 3.49Å; Q221-G242 VanDerWaalsContact O-N 3.16Å |
| 222 | R | 86.5 | Confident | 89.7 | Confident | 217 Ų | 217 | 39.7 Ų | 39.7 | 82% | 0.819 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.5 | -179.8 | -62.9 | -177.2 | -176.7 | -178.5 | 0.6 | 113.9 | H220 | H220-R222 PolarHBondContact O-N 2.84Å; H220-R222 VanDerWaalsContact O-N 3.14Å |
| 223 | G | 87.8 | Confident | 89.7 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.2 | -179.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | H220 F238 H240 | H220-G223 CarbonylContact C-O 3.58Å; H220-G223 WeakPolarHBondContact CA-O 3.3Å; H220-G223 VanDerWaalsContact CB-O 3.27Å; H220-G223 WeakPolarHBondContact CB-O 3.49Å; H220-G223 PolarHBondContact N-O 3.29Å; H220-G223 CarbonylContact O-C 3.37Å; H220-G223 PolarHBondContact O-N 2.83Å; G223-F238 CarbonylContact C-O 3.57Å; G223-F238 WeakPolarHBondContact CA-O 3.13Å; G223-H240 VanDerWaalsContact CA-O 3.3Å; G223-H240 WeakPolarHBondContact CA-O 3.15Å |
| 224 | I | 92.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 140.2 | 179.2 | -62.2 | 144.5 | 0 | 0 | 0 | 108.9 | A217 T218 R237 F238 V243 I246 T257 | A217-I224 HydrophobicContact CB-CG2 4.36Å; T218-I224 WeakPolarHBondContact O-CA 3.16Å; T218-I224 WeakPolarHBondContact O-CG2 3.43Å; I224-R237 CarbonylContact O-C 3.57Å; I224-R237 WeakPolarHBondContact O-CA 3.27Å; I224-F238 HydrophobicContact CB-CD2 4.49Å; I224-F238 HydrophobicContact CG2-CD2 4.49Å; I224-F238 PolarHBondContact N-O 3.39Å; I224-F238 PolarHBondContact O-N 2.67Å; I224-V243 HydrophobicContact CD1-CB 4Å; I224-V243 HydrophobicContact CD1-CG1 3.65Å; I224-V243 HydrophobicContact CD1-CG2 3.94Å; I224-V243 HydrophobicContact CG1-CB 4.32Å; I224-V243 HydrophobicContact CG1-CG1 4.23Å; I224-I246 HydrophobicContact CD1-CG2 3.39Å; I224-I246 HydrophobicContact CG1-CG2 3.99Å; I224-T257 HydrophobicContact CD1-CG2 3.21Å |
| 225 | A | 93.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A217 T218 W227 | A217-A225 WeakPolarHBondContact CA-O 3.32Å; T218-A225 PolarHBondContact N-O 3.2Å; T218-A225 PolarHBondContact O-N 3.1Å; T218-A225 VanDerWaalsContact O-N 3.14Å; A225-W227 HydrophobicContact CB-CZ2 4.29Å |
| 226 | L | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.5 | 169.9 | -64 | -173.2 | 0 | 0 | 0 | 109.5 | A217 I235 Q236 F238 F248 I276 | A217-L226 HydrophobicContact CB-CD2 3.79Å; L226-I235 PolarHBondContact O-N 2.88Å; L226-Q236 HydrophobicContact CB-CB 4.35Å; L226-Q236 HydrophobicContact CD1-CB 4.46Å; L226-Q236 PolarHBondContact N-O 3.17Å; L226-Q236 PolarHBondContact O-N 3.5Å; L226-F238 HydrophobicContact CD1-CE2 3.53Å; L226-F238 HydrophobicContact CD1-CZ 3.91Å; L226-F238 HydrophobicContact CD2-CE2 4.42Å; L226-F238 HydrophobicContact CG-CD2 4.45Å; L226-F238 HydrophobicContact CG-CE2 3.68Å; L226-F238 HydrophobicContact CG-CZ 4.47Å; L226-F248 HydrophobicContact CD1-CE1 4.48Å; L226-F248 HydrophobicContact CD2-CE1 3.95Å; L226-F248 HydrophobicContact CD2-CZ 3.62Å; L226-I276 HydrophobicContact CD1-CG1 4.2Å; L226-I276 HydrophobicContact CD1-CG2 3.77Å |
| 227 | W | 92.1 | Very high | 89.4 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 145.4 | 178.6 | -51.9 | 82.4 | 0 | 0 | 0 | 109.8 | W202 Y215 L216 T218 A225 F232 K233 Q234 | W202-W227 AromaticContact CD1-CE2 3.7Å; W202-W227 AromaticContact CD1-CZ2 3.69Å; W202-W227 AromaticContact CD1-NE1 3.87Å; W202-W227 AromaticContact CE2-CD2 3.98Å; W202-W227 HydrophobicContact CZ2-CB 4.11Å; W202-W227 HydrophobicContact CZ2-CD2 4.07Å; W202-W227 HydrophobicContact CZ2-CE3 4.3Å; W202-W227 AromaticContact CZ2-CG 3.98Å; W202-W227 HydrophobicContact CZ2-CG 3.98Å; W202-W227 AromaticContact NE1-CD1 3.62Å; W202-W227 AromaticContact NE1-CD2 3.23Å; W202-W227 AromaticContact NE1-CE2 3.02Å; W202-W227 AromaticContact NE1-CE3 3.78Å; W202-W227 AromaticContact NE1-CG 3.62Å; W202-W227 AromaticContact NE1-CH2 3.89Å; W202-W227 AromaticContact NE1-CZ2 3.38Å; W202-W227 AromaticContact NE1-NE1 3.26Å; Y215-W227 CarbonylContact C-O 3.51Å; Y215-W227 WeakPolarHBondContact CA-O 3.5Å; L216-W227 HydrophobicContact CB-CB 4.33Å; L216-W227 PolarHBondContact N-O 3.42Å; L216-W227 PolarHBondContact O-N 3.32Å; T218-W227 PolarHBondContact OG1-NE1 3.13Å; A225-W227 HydrophobicContact CB-CZ2 4.29Å; W227-F232 HydrophobicContact CB-CB 4.43Å; W227-K233 VanDerWaalsContact CA-O 3.3Å; W227-K233 WeakPolarHBondContact CA-O 3.45Å; W227-Q234 HydrophobicContact CD2-CB 4.34Å; W227-Q234 HydrophobicContact CE3-CB 3.83Å; W227-Q234 VanDerWaalsContact CE3-N 3.32Å; W227-Q234 HydrophobicContact CH2-CB 4.18Å; W227-Q234 HydrophobicContact CZ3-CB 3.75Å |
| 228 | G | 89.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -173.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F232 K233 | G228-F232 CarbonylContact O-C 3.55Å; G228-F232 VanDerWaalsContact O-CA 3.29Å; G228-F232 WeakPolarHBondContact O-CA 3.48Å; G228-K233 PolarHBondContact N-O 3.16Å; G228-K233 PolarHBondContact O-N 3.34Å |
| 229 | G | 84.1 | Confident | 89.1 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 180 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M160 K231 F232 | M160-G229 PolarHBondContact SD-N 2.83Å; G229-K231 PolarHBondContact O-N 2.84Å; G229-F232 PolarHBondContact O-N 3.01Å |
| 230 | E | 81.8 | Confident | 88.8 | Confident | 124 Ų | 124 | 61 Ų | 61 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -41.6 | -177.2 | -173.5 | -176.2 | 177.1 | 0 | 0 | 112.4 | H162 | H162-E230 IonicContact CE1-OE1 2.83Š|
| 231 | K | 84.4 | Confident | 88.7 | Confident | 133 Ų | 133 | 64.6 Ų | 64.6 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 21.6 | -179.2 | -61.2 | -172.1 | 178.8 | -176.3 | 0 | 114.3 | E197 R199 G229 K233 | E197-K231 WeakPolarHBondContact OE1-CA 3.35Å; R199-K231 PolarHBondContact NH2-O 2.88Å; G229-K231 PolarHBondContact O-N 2.84Å; K231-K233 PolarHBondContact O-N 3.04Å; K231-K233 VanDerWaalsContact O-N 3.13Å |
| 232 | F | 86.6 | Confident | 88.6 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 35.8 | 63.6 | -174.6 | -65.9 | -88.8 | 0 | 0 | 0 | 113.4 | I185 E197 R199 W202 W209 L216 W227 G228 G229 | I185-F232 HydrophobicContact CD1-CD1 3.76Å; I185-F232 HydrophobicContact CD1-CD2 3.64Å; I185-F232 HydrophobicContact CD1-CE1 3.49Å; I185-F232 VanDerWaalsContact CD1-CE1 3.49Å; I185-F232 HydrophobicContact CD1-CE2 3.36Å; I185-F232 HydrophobicContact CD1-CG 3.84Å; I185-F232 HydrophobicContact CD1-CZ 3.28Å; I185-F232 HydrophobicContact CG2-CE2 4.26Å; I185-F232 HydrophobicContact CG2-CZ 4.19Å; E197-F232 HydrophobicContact CG-CD2 4.19Å; R199-F232 PolarHBondContact NH1-O 2.75Å; R199-F232 PolarHBondContact NH2-O 3.39Å; W202-F232 HydrophobicContact CH2-CB 3.47Å; W202-F232 VanDerWaalsContact CH2-CB 3.47Å; W202-F232 HydrophobicContact CH2-CD1 4.15Å; W202-F232 HydrophobicContact CH2-CD2 4.32Å; W202-F232 AromaticContact CH2-CG 3.73Å; W202-F232 HydrophobicContact CH2-CG 3.73Å; W202-F232 HydrophobicContact CZ2-CB 3.62Å; W202-F232 HydrophobicContact CZ2-CD1 4.48Å; W202-F232 HydrophobicContact CZ2-CG 4.23Å; W209-F232 AromaticContact CH2-CE1 3.59Å; W209-F232 HydrophobicContact CH2-CE1 3.59Å; W209-F232 AromaticContact CH2-CZ 3.85Å; W209-F232 HydrophobicContact CH2-CZ 3.85Å; W209-F232 AromaticContact CZ3-CE1 3.81Å; W209-F232 HydrophobicContact CZ3-CE1 3.81Å; W209-F232 HydrophobicContact CZ3-CZ 4.4Å; L216-F232 HydrophobicContact CB-CD1 4.44Å; L216-F232 HydrophobicContact CD2-CD1 4.47Å; W227-F232 HydrophobicContact CB-CB 4.43Å; G228-F232 CarbonylContact O-C 3.55Å; G228-F232 VanDerWaalsContact O-CA 3.29Å; G228-F232 WeakPolarHBondContact O-CA 3.48Å; G229-F232 PolarHBondContact O-N 3.01Å |
| 233 | K | 88.8 | Confident | 88.6 | Confident | 145 Ų | 145 | 48.9 Ų | 48.9 | 63% | 0.63 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 153.3 | 174.9 | -69.7 | -175.5 | 179.8 | 179.7 | 0 | 109.5 | W227 G228 K231 I235 | W227-K233 VanDerWaalsContact CA-O 3.3Å; W227-K233 WeakPolarHBondContact CA-O 3.45Å; G228-K233 PolarHBondContact N-O 3.16Å; G228-K233 PolarHBondContact O-N 3.34Å; K231-K233 PolarHBondContact O-N 3.04Å; K231-K233 VanDerWaalsContact O-N 3.13Å; K233-I235 PolarHBondContact O-N 3.02Å |
| 234 | Q | 89.3 | Confident | 88.5 | Confident | 86 Ų | 86 | 50.7 Ų | 50.7 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 122.6 | 176.1 | -173.7 | 171.6 | 14.1 | 0 | 0 | 109.3 | W227 | W227-Q234 HydrophobicContact CD2-CB 4.34Å; W227-Q234 HydrophobicContact CE3-CB 3.83Å; W227-Q234 VanDerWaalsContact CE3-N 3.32Å; W227-Q234 HydrophobicContact CH2-CB 4.18Å; W227-Q234 HydrophobicContact CZ3-CB 3.75Å |
| 235 | I | 87.8 | Confident | 88.3 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -50.3 | -178.9 | -59.5 | 180 | 0 | 0 | 0 | 109.6 | F157 M160 Y215 L226 K233 | F157-I235 HydrophobicContact CD1-CG1 4.1Å; F157-I235 HydrophobicContact CD1-CG2 4.1Å; F157-I235 HydrophobicContact CD2-CG2 4.25Å; F157-I235 HydrophobicContact CE1-CB 4.4Å; F157-I235 HydrophobicContact CE1-CG1 4.45Å; F157-I235 HydrophobicContact CE1-CG2 3.84Å; F157-I235 HydrophobicContact CE2-CG2 4Å; F157-I235 HydrophobicContact CG-CG1 4.49Å; F157-I235 HydrophobicContact CG-CG2 4.3Å; F157-I235 HydrophobicContact CZ-CG2 3.79Å; M160-I235 HydrophobicContact CE-CD1 3.3Å; M160-I235 HydrophobicContact SD-CD1 3.62Å; Y215-I235 HydrophobicContact CD1-CD1 3.87Å; Y215-I235 HydrophobicContact CE1-CD1 3.64Å; Y215-I235 HydrophobicContact CE1-CG2 4.41Å; L226-I235 PolarHBondContact O-N 2.88Å; K233-I235 PolarHBondContact O-N 3.02Å |
| 236 | Q | 89.2 | Confident | 88.2 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 155.1 | -179.5 | -72 | -66.4 | -5.7 | 0 | 0 | 111.1 | L226 F238 I276 L277 | L226-Q236 HydrophobicContact CB-CB 4.35Å; L226-Q236 HydrophobicContact CD1-CB 4.46Å; L226-Q236 PolarHBondContact N-O 3.17Å; L226-Q236 PolarHBondContact O-N 3.5Å; Q236-F238 HydrophobicContact CB-CZ 4.27Å; Q236-I276 WeakPolarHBondContact CG-O 3.13Å; Q236-L277 PolarHBondContact NE2-O 3.4Å |
| 237 | R | 92.3 | Very high | 88.1 | Confident | 164 Ų | 164 | 54.1 Ų | 54.1 | 62% | 0.619 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128.1 | 172.6 | -169.6 | 175.4 | 63 | -159.5 | -1.1 | 109.4 | I224 | I224-R237 CarbonylContact O-C 3.57Å; I224-R237 WeakPolarHBondContact O-CA 3.27Å |
| 238 | F | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.3 | 175.6 | -54.7 | -62.6 | 0 | 0 | 0 | 109.3 | G223 I224 L226 Q236 H240 V255 W274 I276 | G223-F238 CarbonylContact C-O 3.57Å; G223-F238 WeakPolarHBondContact CA-O 3.13Å; I224-F238 HydrophobicContact CB-CD2 4.49Å; I224-F238 HydrophobicContact CG2-CD2 4.49Å; I224-F238 PolarHBondContact N-O 3.39Å; I224-F238 PolarHBondContact O-N 2.67Å; L226-F238 HydrophobicContact CD1-CE2 3.53Å; L226-F238 HydrophobicContact CD1-CZ 3.91Å; L226-F238 HydrophobicContact CD2-CE2 4.42Å; L226-F238 HydrophobicContact CG-CD2 4.45Å; L226-F238 HydrophobicContact CG-CE2 3.68Å; L226-F238 HydrophobicContact CG-CZ 4.47Å; Q236-F238 HydrophobicContact CB-CZ 4.27Å; F238-H240 PolarHBondContact O-N 2.81Å; F238-H240 VanDerWaalsContact O-N 3.08Å; F238-V255 HydrophobicContact CD2-CG1 3.84Å; F238-V255 HydrophobicContact CE2-CG1 3.4Å; F238-V255 HydrophobicContact CZ-CG1 3.8Å; F238-W274 HydrophobicContact CB-CD2 3.97Å; F238-W274 HydrophobicContact CB-CE3 4.32Å; F238-W274 HydrophobicContact CB-CG 4.33Å; F238-W274 HydrophobicContact CB-CZ2 4.32Å; F238-W274 HydrophobicContact CD1-CB 3.65Å; F238-W274 AromaticContact CD1-CD2 3.52Å; F238-W274 HydrophobicContact CD1-CD2 3.52Å; F238-W274 AromaticContact CD1-CE3 3.52Å; F238-W274 HydrophobicContact CD1-CE3 3.52Å; F238-W274 AromaticContact CD1-CG 3.59Å; F238-W274 HydrophobicContact CD1-CG 3.59Å; F238-W274 HydrophobicContact CD1-CZ3 4.35Å; F238-W274 HydrophobicContact CE1-CB 3.5Å; F238-W274 HydrophobicContact CE1-CD2 4.29Å; F238-W274 HydrophobicContact CE1-CE3 4.28Å; F238-W274 AromaticContact CE1-CG 4Å; F238-W274 HydrophobicContact CE1-CG 4Å; F238-W274 HydrophobicContact CG-CB 4.29Å; F238-W274 AromaticContact CG-CD2 3.96Å; F238-W274 HydrophobicContact CG-CD2 3.96Å; F238-W274 HydrophobicContact CG-CE3 4.29Å; F238-W274 AromaticContact CG-CG 3.94Å; F238-W274 HydrophobicContact CG-CG 3.94Å; F238-W274 HydrophobicContact CZ-CB 4.05Å; F238-I276 HydrophobicContact CZ-CG1 4.47Å |
| 239 | S | 90 | Very high | 88.2 | Confident | 84 Ų | 84 | 52.7 Ų | 52.7 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | trans | -77.3 | 92 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 240 | H | 87 | Confident | 88.5 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | trans | -140.1 | 110.9 | 173.8 | -172.2 | -175.7 | 0 | 0 | 0 | 107.8 | G223 F238 V243 T257 S259 W274 | G223-H240 VanDerWaalsContact CA-O 3.3Å; G223-H240 WeakPolarHBondContact CA-O 3.15Å; F238-H240 PolarHBondContact O-N 2.81Å; F238-H240 VanDerWaalsContact O-N 3.08Å; H240-V243 HydrophobicContact CB-CG2 3.59Å; H240-V243 WeakPolarHBondContact ND1-CG2 3.36Å; H240-V243 WeakPolarHBondContact O-CG2 3.07Å; H240-T257 PolarHBondContact ND1-OG1 3.14Å; H240-S259 VanDerWaalsContact NE2-CB 3.34Å; H240-S259 WeakPolarHBondContact NE2-CB 3.39Å; H240-S259 PolarHBondContact NE2-OG 2.76Å; H240-W274 HydrophobicContact CB-CZ2 4.05Å | ||
| 241 | Q | 87.3 | Confident | 88.7 | Confident | 123 Ų | 123 | 50.1 Ų | 50.1 | 58% | 0.575 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 146.5 | -173.4 | -61.2 | -169.3 | 15.5 | 0 | 0 | 111.4 | Q221 V243 | Q221-Q241 WeakPolarHBondContact O-CA 3.34Å; Q241-V243 VanDerWaalsContact C-N 3.26Å; Q241-V243 PolarHBondContact O-N 3.13Å |
| 242 | G | 83.7 | Confident | 88.9 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 24% | 0.237 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 23.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q221 S244 P260 | Q221-G242 PolarHBondContact O-N 3.49Å; Q221-G242 VanDerWaalsContact O-N 3.16Å; G242-S244 PolarHBondContact O-N 3.39Å; G242-P260 WeakPolarHBondContact O-CD 3.33Å |
| 243 | V | 87.6 | Confident | 89.1 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | trans | -67.3 | 125.6 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | F219 I224 H240 Q241 L245 I246 F258 | F219-V243 HydrophobicContact CE1-CG1 4.34Å; I224-V243 HydrophobicContact CD1-CB 4Å; I224-V243 HydrophobicContact CD1-CG1 3.65Å; I224-V243 HydrophobicContact CD1-CG2 3.94Å; I224-V243 HydrophobicContact CG1-CB 4.32Å; I224-V243 HydrophobicContact CG1-CG1 4.23Å; H240-V243 HydrophobicContact CB-CG2 3.59Å; H240-V243 WeakPolarHBondContact ND1-CG2 3.36Å; H240-V243 WeakPolarHBondContact O-CG2 3.07Å; Q241-V243 VanDerWaalsContact C-N 3.26Å; Q241-V243 PolarHBondContact O-N 3.13Å; V243-L245 VanDerWaalsContact CG1-O 3.27Å; V243-L245 WeakPolarHBondContact CG1-O 3.29Å; V243-I246 HydrophobicContact CG1-CG2 3.86Å; V243-F258 WeakPolarHBondContact CA-O 3.41Å; V243-F258 WeakPolarHBondContact CG1-O 3.01Å | ||
| 244 | S | 84.9 | Confident | 89.3 | Confident | 44 Ų | 44 | 43.1 Ų | 43.1 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | trans | -101.5 | -30.1 | 173.6 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | Y206 G242 F258 P260 | Y206-S244 WeakPolarHBondContact CE1-O 3.28Å; Y206-S244 PolarHBondContact OH-O 3.09Å; G242-S244 PolarHBondContact O-N 3.39Å; S244-F258 PolarHBondContact N-O 3.21Å; S244-P260 WeakPolarHBondContact OG-CD 3.3Å | ||
| 245 | L | 88 | Confident | 89.4 | Confident | 54 Ų | 54 | 39 Ų | 39 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 141.2 | -174.6 | -60.7 | 170.4 | 0 | 0 | 0 | 111.1 | V243 F258 W293 | V243-L245 VanDerWaalsContact CG1-O 3.27Å; V243-L245 WeakPolarHBondContact CG1-O 3.29Å; L245-F258 HydrophobicContact CB-CB 4.24Å; L245-F258 HydrophobicContact CB-CD1 4.1Å; L245-F258 HydrophobicContact CD1-CD1 3.88Å; L245-F258 HydrophobicContact CD1-CE1 4.3Å; L245-F258 HydrophobicContact CG-CD1 4.28Å; L245-F258 PolarHBondContact N-O 2.75Å; L245-F258 PolarHBondContact O-N 3.09Å; L245-W293 HydrophobicContact CB-CD2 3.98Å; L245-W293 HydrophobicContact CB-CE3 4.48Å; L245-W293 HydrophobicContact CB-CG 4.25Å; L245-W293 HydrophobicContact CB-CZ2 4.29Å; L245-W293 HydrophobicContact CD1-CB 3.7Å; L245-W293 HydrophobicContact CD1-CD2 4.02Å; L245-W293 HydrophobicContact CD1-CE3 4.4Å; L245-W293 HydrophobicContact CD1-CG 3.71Å; L245-W293 HydrophobicContact CG-CG 4.45Å |
| 246 | I | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 157.8 | 169.6 | 76 | -173.4 | 0 | 0 | 0 | 109.9 | R208 A217 F219 I224 V243 F248 V256 T257 W293 | R208-I246 HydrophobicContact CB-CD1 4.12Å; R208-I246 HydrophobicContact CB-CG1 4.48Å; R208-I246 PolarHBondContact NH1-O 3.29Å; A217-I246 HydrophobicContact CB-CD1 3.26Å; F219-I246 HydrophobicContact CE1-CB 4.48Å; F219-I246 HydrophobicContact CE1-CG1 4.43Å; F219-I246 HydrophobicContact CE1-CG2 3.64Å; F219-I246 HydrophobicContact CE2-CD1 3.74Å; F219-I246 HydrophobicContact CE2-CG1 4.23Å; F219-I246 HydrophobicContact CZ-CB 4.12Å; F219-I246 HydrophobicContact CZ-CD1 3.58Å; F219-I246 HydrophobicContact CZ-CG1 3.6Å; F219-I246 HydrophobicContact CZ-CG2 3.69Å; I224-I246 HydrophobicContact CD1-CG2 3.39Å; I224-I246 HydrophobicContact CG1-CG2 3.99Å; V243-I246 HydrophobicContact CG1-CG2 3.86Å; I246-F248 HydrophobicContact CD1-CE2 4.05Å; I246-V256 CarbonylContact C-O 3.45Å; I246-V256 WeakPolarHBondContact CA-O 3.34Å; I246-T257 HydrophobicContact CG2-CG2 4.21Å; I246-W293 PolarHBondContact O-NE1 3.09Å |
| 247 | D | 91.8 | Very high | 89.7 | Confident | 21 Ų | 21 | 35.8 Ų | 35.8 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 144.2 | 170.3 | -163 | 40.1 | 0 | 0 | 0 | 110.1 | R208 V255 V256 W293 | R208-D247 IonicContact CZ-OD1 3.64Å; R208-D247 IonicContact NH1-OD1 2.95Å; R208-D247 PolarHBondContact NH1-OD1 3.21Å; R208-D247 IonicContact NH2-OD1 3.82Å; R208-D247 PolarHBondContact NH2-OD1 3.47Å; D247-V255 WeakPolarHBondContact O-CG2 3.47Å; D247-V256 PolarHBondContact N-O 2.85Å; D247-V256 PolarHBondContact O-N 3.34Å; D247-W293 HydrophobicContact CB-CZ2 3.49Å; D247-W293 VanDerWaalsContact CB-CZ2 3.49Å |
| 248 | F | 92.8 | Very high | 89.6 | Confident | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.035 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 142.1 | -178.8 | -76.9 | -84.6 | 0 | 0 | 0 | 110 | P211 A217 L226 I246 V255 I276 | P211-F248 HydrophobicContact CG-CB 3.75Å; A217-F248 HydrophobicContact CB-CE2 3.93Å; A217-F248 HydrophobicContact CB-CZ 3.84Å; L226-F248 HydrophobicContact CD1-CE1 4.48Å; L226-F248 HydrophobicContact CD2-CE1 3.95Å; L226-F248 HydrophobicContact CD2-CZ 3.62Å; I246-F248 HydrophobicContact CD1-CE2 4.05Å; F248-V255 HydrophobicContact CD1-CB 4.08Å; F248-V255 HydrophobicContact CD1-CG2 3.72Å; F248-V255 HydrophobicContact CD2-CG2 4.43Å; F248-V255 HydrophobicContact CE1-CB 4.11Å; F248-V255 HydrophobicContact CE1-CG2 3.69Å; F248-V255 HydrophobicContact CE2-CG2 4.4Å; F248-V255 HydrophobicContact CG-CG2 4.12Å; F248-V255 HydrophobicContact CZ-CG2 4.06Å; F248-I276 HydrophobicContact CD1-CD1 3.8Å; F248-I276 HydrophobicContact CE1-CD1 3.94Å |
| 249 | S | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -59.3 | 141.9 | 162.9 | 59.3 | 0 | 0 | 0 | 0 | 110.2 | C251 E252 R253 Y254 | S249-C251 PolarHBondContact O-N 3.45Å; S249-E252 PolarHBondContact O-N 2.89Å; S249-R253 PolarHBondContact OG-N 3.29Å; S249-R253 VanDerWaalsContact OG-N 3.13Å; S249-Y254 WeakPolarHBondContact CB-O 3.4Å; S249-Y254 PolarHBondContact N-O 3.32Å; S249-Y254 PolarHBondContact OG-N 3.49Å; S249-Y254 PolarHBondContact OG-O 2.96Å | ||
| 250 | P | 88.5 | Confident | 88.7 | Confident | 51 Ų | 51 | 28.5 Ų | 28.5 | 33% | 0.331 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.7 | 179 | -27.8 | 35.4 | 0 | 0 | 0 | 114.2 | W298 | P250-W298 VanDerWaalsContact CD-CB 3.47Å; P250-W298 HydrophobicContact CG-CB 4.08Å |
| 251 | C | 86.8 | Confident | 88 | Confident | 27 Ų | 27 | 34 Ų | 34 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.8 | 177.9 | 60 | 0 | 0 | 0 | 0 | 114.8 | S249 R253 | S249-C251 PolarHBondContact O-N 3.45Å; C251-R253 VanDerWaalsContact C-N 3.26Å; C251-R253 HydrophobicContact CB-CG 4.49Å; C251-R253 PolarHBondContact O-N 3.46Å; C251-R253 PolarHBondContact SG-NE 2.91Å; C251-R253 VanDerWaalsContact SG-NE 3.38Å |
| 252 | E | 88.9 | Confident | 86.7 | Confident | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 59.9 | 28.8 | -177.4 | -53.7 | -176.4 | 140.9 | 0 | 0 | 114.4 | S210 K212 T214 S249 I276 | S210-E252 WeakPolarHBondContact CB-OE1 3.29Å; S210-E252 PolarHBondContact OG-OE1 2.82Å; K212-E252 VanDerWaalsContact CA-OE1 3.32Å; K212-E252 WeakPolarHBondContact CA-OE1 3.33Å; K212-E252 VanDerWaalsContact CB-CD 3.48Å; K212-E252 HydrophobicContact CB-CG 4.44Å; K212-E252 WeakPolarHBondContact CB-OE1 3.43Å; K212-E252 HydrophobicContact CD-CG 4.25Å; K212-E252 HydrophobicContact CG-CG 4.12Å; K212-E252 PolarHBondContact N-OE1 2.79Å; T214-E252 VanDerWaalsContact CB-OE2 3.26Å; T214-E252 WeakPolarHBondContact CB-OE2 3.27Å; T214-E252 PolarHBondContact OG1-OE1 2.96Å; T214-E252 PolarHBondContact OG1-OE2 2.87Å; S249-E252 PolarHBondContact O-N 2.89Å; E252-I276 WeakPolarHBondContact O-CD1 3.21Å |
| 253 | R | 90.2 | Very high | 85.4 | Confident | 106 Ų | 106 | 35.7 Ų | 35.7 | 40% | 0.4 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -95.8 | -34 | 176.5 | -68.7 | -167.9 | -70.4 | -166.3 | -2.3 | 113.4 | S249 C251 I276 | S249-R253 PolarHBondContact OG-N 3.29Å; S249-R253 VanDerWaalsContact OG-N 3.13Å; C251-R253 VanDerWaalsContact C-N 3.26Å; C251-R253 HydrophobicContact CB-CG 4.49Å; C251-R253 PolarHBondContact O-N 3.46Å; C251-R253 PolarHBondContact SG-NE 2.91Å; C251-R253 VanDerWaalsContact SG-NE 3.38Å; R253-I276 WeakPolarHBondContact O-CB 3.38Å; R253-I276 PolarHBondContact O-N 3.4Å |
| 254 | Y | 92.4 | Very high | 83.9 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 146.6 | -178.1 | -52.1 | -71 | 0 | 0 | 0 | 111.1 | S249 W274 D275 W298 T318 P319 M321 | S249-Y254 WeakPolarHBondContact CB-O 3.4Å; S249-Y254 PolarHBondContact N-O 3.32Å; S249-Y254 PolarHBondContact OG-N 3.49Å; S249-Y254 PolarHBondContact OG-O 2.96Å; Y254-W274 VanDerWaalsContact CA-O 3.24Å; Y254-W274 WeakPolarHBondContact CA-O 3.16Å; Y254-D275 HydrophobicContact CD1-CB 4.16Å; Y254-D275 HydrophobicContact CE1-CB 4.18Å; Y254-W298 AromaticContact CD2-CH2 3.83Å; Y254-W298 HydrophobicContact CD2-CH2 3.83Å; Y254-W298 AromaticContact CD2-CZ3 3.95Å; Y254-W298 HydrophobicContact CD2-CZ3 3.95Å; Y254-W298 HydrophobicContact CG-CH2 4.04Å; Y254-T318 HydrophobicContact CD2-CG2 4.19Å; Y254-T318 HydrophobicContact CE2-CG2 3.65Å; Y254-P319 WeakPolarHBondContact OH-CA 3.45Å; Y254-M321 HydrophobicContact CD1-CE 3.23Å; Y254-M321 HydrophobicContact CD2-CE 3.91Å; Y254-M321 HydrophobicContact CE1-CE 3.18Å; Y254-M321 HydrophobicContact CE2-CE 3.87Å; Y254-M321 HydrophobicContact CG-CE 3.6Å |
| 255 | V | 92.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.4 | 167.5 | 78.5 | 0 | 0 | 0 | 0 | 109.3 | F238 D247 F248 T257 W274 I276 | F238-V255 HydrophobicContact CD2-CG1 3.84Å; F238-V255 HydrophobicContact CE2-CG1 3.4Å; F238-V255 HydrophobicContact CZ-CG1 3.8Å; D247-V255 WeakPolarHBondContact O-CG2 3.47Å; F248-V255 HydrophobicContact CD1-CB 4.08Å; F248-V255 HydrophobicContact CD1-CG2 3.72Å; F248-V255 HydrophobicContact CD2-CG2 4.43Å; F248-V255 HydrophobicContact CE1-CB 4.11Å; F248-V255 HydrophobicContact CE1-CG2 3.69Å; F248-V255 HydrophobicContact CE2-CG2 4.4Å; F248-V255 HydrophobicContact CG-CG2 4.12Å; F248-V255 HydrophobicContact CZ-CG2 4.06Å; V255-T257 HydrophobicContact CG1-CG2 4.28Å; V255-W274 HydrophobicContact CG1-CB 3.85Å; V255-W274 HydrophobicContact CG1-CG 4.29Å; V255-W274 PolarHBondContact N-O 2.77Å; V255-W274 PolarHBondContact O-N 3.1Å; V255-I276 HydrophobicContact CB-CD1 4.18Å; V255-I276 HydrophobicContact CB-CG1 4.16Å; V255-I276 HydrophobicContact CG1-CG1 4.44Å |
| 256 | V | 92.3 | Very high | 80.7 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.9 | 175.2 | -170.4 | 0 | 0 | 0 | 0 | 107.2 | I246 D247 I271 I273 W293 F296 W298 | I246-V256 CarbonylContact C-O 3.45Å; I246-V256 WeakPolarHBondContact CA-O 3.34Å; D247-V256 PolarHBondContact N-O 2.85Å; D247-V256 PolarHBondContact O-N 3.34Å; V256-I271 HydrophobicContact CG1-CG2 3.56Å; V256-I273 HydrophobicContact CG1-CG1 4.32Å; V256-I273 HydrophobicContact CG2-CG1 4.2Å; V256-W293 HydrophobicContact CB-CH2 4.35Å; V256-W293 HydrophobicContact CG1-CH2 3.85Å; V256-F296 HydrophobicContact CG1-CD2 4.18Å; V256-W298 HydrophobicContact CG2-CZ2 3.73Å |
| 257 | T | 91.6 | Very high | 79.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.1 | -177.4 | 61.5 | 0 | 0 | 0 | 0 | 108.3 | I224 H240 I246 V255 I271 I272 W274 | I224-T257 HydrophobicContact CD1-CG2 3.21Å; H240-T257 PolarHBondContact ND1-OG1 3.14Å; I246-T257 HydrophobicContact CG2-CG2 4.21Å; V255-T257 HydrophobicContact CG1-CG2 4.28Å; T257-I271 CarbonylContact O-C 3.43Å; T257-I271 VanDerWaalsContact O-CA 3.32Å; T257-I271 WeakPolarHBondContact O-CA 3.49Å; T257-I272 PolarHBondContact N-O 2.91Å; T257-I272 PolarHBondContact O-N 2.67Å; T257-I272 PolarHBondContact OG1-O 3.13Å; T257-W274 PolarHBondContact OG1-NE1 2.9Å |
| 258 | F | 89.2 | Confident | 77.6 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.8 | -176.3 | 171.5 | -109.8 | 0 | 0 | 0 | 110.8 | V243 S244 L245 P260 A270 I271 C287 W293 | V243-F258 WeakPolarHBondContact CA-O 3.41Å; V243-F258 WeakPolarHBondContact CG1-O 3.01Å; S244-F258 PolarHBondContact N-O 3.21Å; L245-F258 HydrophobicContact CB-CB 4.24Å; L245-F258 HydrophobicContact CB-CD1 4.1Å; L245-F258 HydrophobicContact CD1-CD1 3.88Å; L245-F258 HydrophobicContact CD1-CE1 4.3Å; L245-F258 HydrophobicContact CG-CD1 4.28Å; L245-F258 PolarHBondContact N-O 2.75Å; L245-F258 PolarHBondContact O-N 3.09Å; F258-P260 HydrophobicContact CE1-CB 4.41Å; F258-A270 WeakPolarHBondContact CA-O 3.4Å; F258-A270 HydrophobicContact CE2-CB 4.44Å; F258-I271 HydrophobicContact CD2-CG1 3.59Å; F258-I271 HydrophobicContact CE2-CG1 4.2Å; F258-C287 HydrophobicContact CE2-CB 3.95Å; F258-W293 HydrophobicContact CB-CE3 4.13Å; F258-W293 HydrophobicContact CB-CH2 3.67Å; F258-W293 HydrophobicContact CB-CZ3 3.44Å; F258-W293 VanDerWaalsContact CB-CZ3 3.44Å; F258-W293 HydrophobicContact CG-CE3 4.32Å; F258-W293 AromaticContact CG-CZ3 3.97Å; F258-W293 HydrophobicContact CG-CZ3 3.97Å |
| 259 | S | 85.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -102 | 129.1 | 168 | 64.7 | 0 | 0 | 0 | 0 | 109.5 | H240 L261 A270 | H240-S259 VanDerWaalsContact NE2-CB 3.34Å; H240-S259 WeakPolarHBondContact NE2-CB 3.39Å; H240-S259 PolarHBondContact NE2-OG 2.76Å; S259-L261 WeakPolarHBondContact CB-O 3.43Å; S259-L261 PolarHBondContact OG-O 2.9Å; S259-A270 PolarHBondContact N-O 3.03Å; S259-A270 PolarHBondContact OG-O 2.72Å | ||
| 260 | P | 78.2 | Confident | 76 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -75.8 | -17.8 | 165.1 | 31.1 | -31.9 | 0 | 0 | 0 | 111.1 | G242 S244 F258 | G242-P260 WeakPolarHBondContact O-CD 3.33Å; S244-P260 WeakPolarHBondContact OG-CD 3.3Å; F258-P260 HydrophobicContact CE1-CB 4.41Å |
| 261 | L | 71.1 | Confident | 76 | Confident | 117 Ų | 117 | 56.4 Ų | 56.4 | 61% | 0.613 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -83.5 | 119 | 174.6 | -62.8 | 176.5 | 0 | 0 | 0 | 108.7 | S259 D263 | S259-L261 WeakPolarHBondContact CB-O 3.43Å; S259-L261 PolarHBondContact OG-O 2.9Å; L261-D263 PolarHBondContact O-N 2.94Å |
| 262 | M | 61.7 | Low | 76.2 | Confident | 121 Ų | 121 | 55.5 Ų | 55.5 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | trans | -64.5 | 106.7 | 175.3 | -66.6 | -88.8 | -178 | 0 | 0 | 108.7 | T264 P268 | M262-T264 PolarHBondContact O-N 2.88Å; M262-P268 HydrophobicContact SD-CB 4.08Å | ||
| 263 | D | 55.5 | Low | 76.3 | Confident | 59 Ų | 59 | 54.7 Ų | 54.7 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | trans | -78 | 109.1 | 178.9 | -158.4 | 1.4 | 0 | 0 | 0 | 108.8 | L261 | L261-D263 PolarHBondContact O-N 2.94Š| ||
| 264 | T | 57.2 | Low | 76.4 | Confident | 90 Ų | 90 | 50.6 Ų | 50.6 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | trans | 56.9 | 143.8 | -179.6 | 62 | 0 | 0 | 0 | 0 | 117.4 | M262 E266 | M262-T264 PolarHBondContact O-N 2.88Å; T264-E266 PolarHBondContact O-N 2.98Å | ||
| 265 | K | 53.8 | Low | 76.4 | Confident | 212 Ų | 212 | 50.8 Ų | 50.8 | 92% | 0.922 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -71 | -16.7 | 179.9 | -70.8 | -177.1 | 179.2 | 178.1 | 0 | 113.8 | ||
| 266 | E | 51.3 | Low | 76.3 | Confident | 175 Ų | 175 | 51 Ų | 51 | 82% | 0.818 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -87.9 | -29.2 | -171.8 | -69 | -179 | 173.2 | 0 | 0 | 113.4 | T264 | T264-E266 PolarHBondContact O-N 2.98Š|
| 267 | D | 56.7 | Low | 76 | Confident | 76 Ų | 76 | 56.6 Ų | 56.6 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | trans | -144.7 | 80.6 | 178.4 | -170 | 23.1 | 0 | 0 | 0 | 111.1 | Q269 K281 | D267-Q269 VanDerWaalsContact CG-CD 3.45Å; D267-Q269 PolarHBondContact O-N 2.87Å; D267-Q269 VanDerWaalsContact OD1-CD 3.25Å; D267-Q269 VanDerWaalsContact OD1-CG 3.26Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.45Å; D267-Q269 PolarHBondContact OD1-NE2 2.88Å; D267-Q269 PolarHBondContact OD2-NE2 2.8Å; D267-K281 IonicContact OD2-NZ 3.03Å | ||
| 268 | P | 62 | Low | 75.7 | Confident | 33 Ų | 33 | 59 Ų | 59 | 21% | 0.214 | 31% | 0.305 | C | S | . | . | trans | -75 | 75.6 | -171.7 | -1.5 | 16.1 | 0 | 0 | 0 | 111.2 | M262 A270 H286 | M262-P268 HydrophobicContact SD-CB 4.08Å; P268-A270 PolarHBondContact O-N 3.28Å; P268-H286 WeakPolarHBondContact CB-CE1 3.46Å; P268-H286 WeakPolarHBondContact CB-NE2 3.32Å; P268-H286 WeakPolarHBondContact CG-CE1 3.43Å; P268-H286 PolarHBondContact O-CE1 3.01Å; P268-H286 PolarHBondContact O-ND1 2.84Å | ||
| 269 | Q | 69.6 | Low | 75.5 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | trans | -102 | 71.4 | -179.3 | -66 | -177.5 | 9.5 | 0 | 0 | 109.9 | D267 I271 I272 G284 | D267-Q269 VanDerWaalsContact CG-CD 3.45Å; D267-Q269 PolarHBondContact O-N 2.87Å; D267-Q269 VanDerWaalsContact OD1-CD 3.25Å; D267-Q269 VanDerWaalsContact OD1-CG 3.26Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.45Å; D267-Q269 PolarHBondContact OD1-NE2 2.88Å; D267-Q269 PolarHBondContact OD2-NE2 2.8Å; Q269-I271 PolarHBondContact O-N 2.88Å; Q269-I271 VanDerWaalsContact O-N 3.11Å; Q269-I272 HydrophobicContact CB-CG1 4.36Å; Q269-I272 WeakPolarHBondContact O-CG1 3.32Å; Q269-G284 VanDerWaalsContact OE1-CA 3.26Å | ||
| 270 | A | 81.8 | Confident | 75.6 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -55.1 | -27.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F258 S259 P268 F285 C287 | F258-A270 WeakPolarHBondContact CA-O 3.4Å; F258-A270 HydrophobicContact CE2-CB 4.44Å; S259-A270 PolarHBondContact N-O 3.03Å; S259-A270 PolarHBondContact OG-O 2.72Å; P268-A270 PolarHBondContact O-N 3.28Å; A270-F285 PolarHBondContact N-O 3.47Å; A270-C287 HydrophobicContact CB-CB 3.64Å |
| 271 | I | 87.9 | Confident | 76.1 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.5 | 179.6 | -49.6 | 136 | 0 | 0 | 0 | 109 | V256 T257 F258 Q269 G284 F285 H286 C287 I295 F296 | V256-I271 HydrophobicContact CG1-CG2 3.56Å; T257-I271 CarbonylContact O-C 3.43Å; T257-I271 VanDerWaalsContact O-CA 3.32Å; T257-I271 WeakPolarHBondContact O-CA 3.49Å; F258-I271 HydrophobicContact CD2-CG1 3.59Å; F258-I271 HydrophobicContact CE2-CG1 4.2Å; Q269-I271 PolarHBondContact O-N 2.88Å; Q269-I271 VanDerWaalsContact O-N 3.11Å; I271-G284 CarbonylContact O-C 3.55Å; I271-G284 WeakPolarHBondContact O-CA 3.46Å; I271-F285 HydrophobicContact CB-CB 4.26Å; I271-F285 HydrophobicContact CD1-CB 4.25Å; I271-F285 PolarHBondContact N-O 3.32Å; I271-F285 PolarHBondContact O-N 2.87Å; I271-H286 WeakPolarHBondContact CD1-O 3.36Å; I271-C287 HydrophobicContact CD1-CB 4.04Å; I271-I295 HydrophobicContact CB-CD1 4.34Å; I271-I295 HydrophobicContact CD1-CD1 3.06Å; I271-I295 HydrophobicContact CG1-CD1 3.42Å; I271-I295 VanDerWaalsContact CG1-CD1 3.42Å; I271-I295 HydrophobicContact CG2-CD1 4.12Å; I271-F296 HydrophobicContact CB-CE2 4.37Å; I271-F296 HydrophobicContact CD1-CE2 4.4Å; I271-F296 HydrophobicContact CG2-CD2 3.88Å; I271-F296 HydrophobicContact CG2-CE2 3.71Å |
| 272 | I | 89.9 | Confident | 77 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.046 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.9 | -179.8 | -52.5 | 178.3 | 0 | 0 | 0 | 109.9 | T257 Q269 W274 K281 | T257-I272 PolarHBondContact N-O 2.91Å; T257-I272 PolarHBondContact O-N 2.67Å; T257-I272 PolarHBondContact OG1-O 3.13Å; Q269-I272 HydrophobicContact CB-CG1 4.36Å; Q269-I272 WeakPolarHBondContact O-CG1 3.32Å; I272-W274 HydrophobicContact CB-CZ2 4.14Å; I272-W274 HydrophobicContact CD1-CZ2 3.99Å; I272-W274 HydrophobicContact CG2-CD2 4.01Å; I272-W274 HydrophobicContact CG2-CG 4.38Å; I272-W274 HydrophobicContact CG2-CH2 4.38Å; I272-W274 HydrophobicContact CG2-CZ2 3.58Å; I272-K281 HydrophobicContact CG2-CB 4.42Å; I272-K281 HydrophobicContact CG2-CD 3.84Å; I272-K281 HydrophobicContact CG2-CG 3.6Å |
| 273 | I | 91.8 | Very high | 78.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.6 | 171.7 | -52 | -171.6 | 0 | 0 | 0 | 108.7 | V256 K282 R283 F285 W298 F305 M321 | V256-I273 HydrophobicContact CG1-CG1 4.32Å; V256-I273 HydrophobicContact CG2-CG1 4.2Å; I273-K282 PolarHBondContact O-N 3.25Å; I273-R283 PolarHBondContact N-O 3.29Å; I273-R283 PolarHBondContact O-N 2.63Å; I273-F285 HydrophobicContact CD1-CD2 4.25Å; I273-F285 HydrophobicContact CD1-CE2 3.58Å; I273-F285 HydrophobicContact CG1-CD2 4.35Å; I273-F285 HydrophobicContact CG1-CE2 4.08Å; I273-W298 HydrophobicContact CG2-CZ2 4.46Å; I273-F305 HydrophobicContact CD1-CD2 4.2Å; I273-F305 HydrophobicContact CD1-CE2 3.51Å; I273-F305 HydrophobicContact CD1-CZ 3.69Å; I273-M321 HydrophobicContact CG2-CE 3.89Å; I273-M321 HydrophobicContact CG2-SD 4.39Å |
| 274 | W | 92.1 | Very high | 79.7 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 8% | 0.08 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.5 | 178.3 | -51.3 | 83.8 | 0 | 0 | 0 | 110.1 | F238 H240 Y254 V255 T257 I272 K281 | F238-W274 HydrophobicContact CB-CD2 3.97Å; F238-W274 HydrophobicContact CB-CE3 4.32Å; F238-W274 HydrophobicContact CB-CG 4.33Å; F238-W274 HydrophobicContact CB-CZ2 4.32Å; F238-W274 HydrophobicContact CD1-CB 3.65Å; F238-W274 AromaticContact CD1-CD2 3.52Å; F238-W274 HydrophobicContact CD1-CD2 3.52Å; F238-W274 AromaticContact CD1-CE3 3.52Å; F238-W274 HydrophobicContact CD1-CE3 3.52Å; F238-W274 AromaticContact CD1-CG 3.59Å; F238-W274 HydrophobicContact CD1-CG 3.59Å; F238-W274 HydrophobicContact CD1-CZ3 4.35Å; F238-W274 HydrophobicContact CE1-CB 3.5Å; F238-W274 HydrophobicContact CE1-CD2 4.29Å; F238-W274 HydrophobicContact CE1-CE3 4.28Å; F238-W274 AromaticContact CE1-CG 4Å; F238-W274 HydrophobicContact CE1-CG 4Å; F238-W274 HydrophobicContact CG-CB 4.29Å; F238-W274 AromaticContact CG-CD2 3.96Å; F238-W274 HydrophobicContact CG-CD2 3.96Å; F238-W274 HydrophobicContact CG-CE3 4.29Å; F238-W274 AromaticContact CG-CG 3.94Å; F238-W274 HydrophobicContact CG-CG 3.94Å; F238-W274 HydrophobicContact CZ-CB 4.05Å; H240-W274 HydrophobicContact CB-CZ2 4.05Å; Y254-W274 VanDerWaalsContact CA-O 3.24Å; Y254-W274 WeakPolarHBondContact CA-O 3.16Å; V255-W274 HydrophobicContact CG1-CB 3.85Å; V255-W274 HydrophobicContact CG1-CG 4.29Å; V255-W274 PolarHBondContact N-O 2.77Å; V255-W274 PolarHBondContact O-N 3.1Å; T257-W274 PolarHBondContact OG1-NE1 2.9Å; I272-W274 HydrophobicContact CB-CZ2 4.14Å; I272-W274 HydrophobicContact CD1-CZ2 3.99Å; I272-W274 HydrophobicContact CG2-CD2 4.01Å; I272-W274 HydrophobicContact CG2-CG 4.38Å; I272-W274 HydrophobicContact CG2-CH2 4.38Å; I272-W274 HydrophobicContact CG2-CZ2 3.58Å; W274-K281 HydrophobicContact CE3-CB 3.89Å; W274-K281 HydrophobicContact CH2-CB 4.14Å; W274-K281 HydrophobicContact CZ3-CB 3.66Å |
| 275 | D | 92.4 | Very high | 81.1 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125 | 167.6 | 174.8 | 3.4 | 0 | 0 | 0 | 109.3 | Y254 L277 T278 G279 Q280 K282 | Y254-D275 HydrophobicContact CD1-CB 4.16Å; Y254-D275 HydrophobicContact CE1-CB 4.18Å; D275-L277 PolarHBondContact OD1-N 2.88Å; D275-L277 VanDerWaalsContact OD1-N 3.09Å; D275-T278 VanDerWaalsContact CB-OG1 3.29Å; D275-T278 WeakPolarHBondContact CB-OG1 3.05Å; D275-T278 WeakPolarHBondContact OD2-CG2 3.39Å; D275-T278 PolarHBondContact OD2-OG1 3.16Å; D275-G279 VanDerWaalsContact O-CA 3.26Å; D275-G279 WeakPolarHBondContact O-CA 3.48Å; D275-G279 PolarHBondContact O-N 2.91Å; D275-Q280 PolarHBondContact N-O 2.89Å; D275-K282 HydrophobicContact CB-CD 4.2Å; D275-K282 HydrophobicContact CB-CG 3.78Å; D275-K282 WeakPolarHBondContact OD2-CE 3.17Å; D275-K282 IonicContact OD2-NZ 3.47Å; D275-K282 PolarHBondContact OD2-NZ 2.85Å |
| 276 | I | 90.3 | Very high | 82.4 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -33.3 | -173.2 | -64.9 | 169.8 | 0 | 0 | 0 | 110.9 | Y215 L226 Q236 F238 F248 E252 R253 V255 | Y215-I276 HydrophobicContact CD2-CG2 4.35Å; Y215-I276 HydrophobicContact CE2-CG2 3.82Å; L226-I276 HydrophobicContact CD1-CG1 4.2Å; L226-I276 HydrophobicContact CD1-CG2 3.77Å; Q236-I276 WeakPolarHBondContact CG-O 3.13Å; F238-I276 HydrophobicContact CZ-CG1 4.47Å; F248-I276 HydrophobicContact CD1-CD1 3.8Å; F248-I276 HydrophobicContact CE1-CD1 3.94Å; E252-I276 WeakPolarHBondContact O-CD1 3.21Å; R253-I276 WeakPolarHBondContact O-CB 3.38Å; R253-I276 PolarHBondContact O-N 3.4Å; V255-I276 HydrophobicContact CB-CD1 4.18Å; V255-I276 HydrophobicContact CB-CG1 4.16Å; V255-I276 HydrophobicContact CG1-CG1 4.44Å |
| 277 | L | 86 | Confident | 83.4 | Confident | 119 Ų | 119 | 44.5 Ų | 44.5 | 62% | 0.623 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -47.2 | -178.2 | -63.4 | 175.2 | 0 | 0 | 0 | 110.8 | Q236 D275 | Q236-L277 PolarHBondContact NE2-O 3.4Å; D275-L277 PolarHBondContact OD1-N 2.88Å; D275-L277 VanDerWaalsContact OD1-N 3.09Å |
| 278 | T | 85.1 | Confident | 83.8 | Confident | 51 Ų | 51 | 48.7 Ų | 48.7 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -19.6 | -176.7 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | D275 Q280 | D275-T278 VanDerWaalsContact CB-OG1 3.29Å; D275-T278 WeakPolarHBondContact CB-OG1 3.05Å; D275-T278 WeakPolarHBondContact OD2-CG2 3.39Å; D275-T278 PolarHBondContact OD2-OG1 3.16Å; T278-Q280 PolarHBondContact O-N 2.88Å; T278-Q280 PolarHBondContact OG1-N 2.87Å |
| 279 | G | 85.8 | Confident | 83.9 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | trans | 73 | 0.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D275 | D275-G279 VanDerWaalsContact O-CA 3.26Å; D275-G279 WeakPolarHBondContact O-CA 3.48Å; D275-G279 PolarHBondContact O-N 2.91Å | ||
| 280 | Q | 87.1 | Confident | 83.3 | Confident | 112 Ų | 112 | 54.2 Ų | 54.2 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | trans | -88.2 | 145.1 | -171.7 | -66.7 | -177.4 | -2 | 0 | 0 | 112.4 | D275 T278 K282 | D275-Q280 PolarHBondContact N-O 2.89Å; T278-Q280 PolarHBondContact O-N 2.88Å; T278-Q280 PolarHBondContact OG1-N 2.87Å; Q280-K282 PolarHBondContact O-N 3.23Å | ||
| 281 | K | 90.1 | Very high | 82 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 113.1 | 168.4 | 176.6 | 170.6 | 178.2 | -172.6 | 0 | 108.8 | D267 I272 W274 | D267-K281 IonicContact OD2-NZ 3.03Å; I272-K281 HydrophobicContact CG2-CB 4.42Å; I272-K281 HydrophobicContact CG2-CD 3.84Å; I272-K281 HydrophobicContact CG2-CG 3.6Å; W274-K281 HydrophobicContact CE3-CB 3.89Å; W274-K281 HydrophobicContact CH2-CB 4.14Å; W274-K281 HydrophobicContact CZ3-CB 3.66Å |
| 282 | K | 88.8 | Confident | 81.1 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 37% | 0.37 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -48.1 | 177.7 | -68.9 | -67.8 | -176.9 | -176 | 0 | 111.3 | I273 D275 Q280 M321 | I273-K282 PolarHBondContact O-N 3.25Å; D275-K282 HydrophobicContact CB-CD 4.2Å; D275-K282 HydrophobicContact CB-CG 3.78Å; D275-K282 WeakPolarHBondContact OD2-CE 3.17Å; D275-K282 IonicContact OD2-NZ 3.47Å; D275-K282 PolarHBondContact OD2-NZ 2.85Å; Q280-K282 PolarHBondContact O-N 3.23Å; K282-M321 HydrophobicContact CB-CE 4.47Å; K282-M321 HydrophobicContact CB-CG 3.9Å; K282-M321 HydrophobicContact CG-CE 4.47Å |
| 283 | R | 86.9 | Confident | 80.5 | Confident | 101 Ų | 101 | 67.6 Ų | 67.6 | 38% | 0.381 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 144.6 | -176.9 | -158 | 161.5 | -165.4 | 178.9 | 6.4 | 110.9 | I273 F285 M321 | I273-R283 PolarHBondContact N-O 3.29Å; I273-R283 PolarHBondContact O-N 2.63Å; R283-F285 HydrophobicContact CB-CE2 4.1Å; R283-F285 HydrophobicContact CG-CE2 3.96Å; R283-F285 HydrophobicContact CG-CZ 4Å; R283-M321 HydrophobicContact CB-CB 4.25Å; R283-M321 PolarHBondContact NH1-O 3.26Å |
| 284 | G | 87.8 | Confident | 80 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 16% | 0.155 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 155 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q269 I271 | Q269-G284 VanDerWaalsContact OE1-CA 3.26Å; I271-G284 CarbonylContact O-C 3.55Å; I271-G284 WeakPolarHBondContact O-CA 3.46Å |
| 285 | F | 85 | Confident | 79.7 | Confident | 15 Ų | 15 | 70.3 Ų | 70.3 | 7% | 0.066 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 145.9 | -178.1 | -64.2 | -88.5 | 0 | 0 | 0 | 110.1 | A270 I271 I273 R283 F296 F305 Y316 | A270-F285 PolarHBondContact N-O 3.47Å; I271-F285 HydrophobicContact CB-CB 4.26Å; I271-F285 HydrophobicContact CD1-CB 4.25Å; I271-F285 PolarHBondContact N-O 3.32Å; I271-F285 PolarHBondContact O-N 2.87Å; I273-F285 HydrophobicContact CD1-CD2 4.25Å; I273-F285 HydrophobicContact CD1-CE2 3.58Å; I273-F285 HydrophobicContact CG1-CD2 4.35Å; I273-F285 HydrophobicContact CG1-CE2 4.08Å; R283-F285 HydrophobicContact CB-CE2 4.1Å; R283-F285 HydrophobicContact CG-CE2 3.96Å; R283-F285 HydrophobicContact CG-CZ 4Å; F285-F296 HydrophobicContact CB-CE2 4.11Å; F285-F296 HydrophobicContact CB-CZ 4.01Å; F285-F296 AromaticContact CD1-CZ 3.8Å; F285-F296 HydrophobicContact CD1-CZ 3.8Å; F285-F296 HydrophobicContact CD2-CE1 4.42Å; F285-F296 AromaticContact CD2-CE2 3.66Å; F285-F296 HydrophobicContact CD2-CE2 3.66Å; F285-F296 AromaticContact CD2-CZ 3.39Å; F285-F296 HydrophobicContact CD2-CZ 3.39Å; F285-F296 HydrophobicContact CE1-CE1 4.5Å; F285-F296 HydrophobicContact CE1-CZ 4.04Å; F285-F296 HydrophobicContact CE2-CE1 4.28Å; F285-F296 HydrophobicContact CE2-CE2 4.2Å; F285-F296 AromaticContact CE2-CZ 3.65Å; F285-F296 HydrophobicContact CE2-CZ 3.65Å; F285-F296 AromaticContact CG-CE2 3.91Å; F285-F296 HydrophobicContact CG-CE2 3.91Å; F285-F296 AromaticContact CG-CZ 3.46Å; F285-F296 HydrophobicContact CG-CZ 3.46Å; F285-F296 VanDerWaalsContact CG-CZ 3.46Å; F285-F296 HydrophobicContact CZ-CE1 4.3Å; F285-F296 AromaticContact CZ-CZ 3.95Å; F285-F296 HydrophobicContact CZ-CZ 3.95Å; F285-F305 HydrophobicContact CE2-CE2 4.2Å; F285-F305 HydrophobicContact CZ-CE2 4.07Å; F285-F305 HydrophobicContact CZ-CZ 4.31Å; F285-Y316 HydrophobicContact CE1-CD1 4.44Å; F285-Y316 AromaticContact CE1-CE1 3.74Å; F285-Y316 HydrophobicContact CE1-CE1 3.74Å; F285-Y316 AromaticContact CE1-CE2 3.97Å; F285-Y316 HydrophobicContact CE1-CE2 3.97Å; F285-Y316 AromaticContact CE1-CZ 3.47Å; F285-Y316 VanDerWaalsContact CE1-CZ 3.47Å; F285-Y316 WeakPolarHBondContact CE1-OH 3.32Å; F285-Y316 HydrophobicContact CZ-CD1 4.31Å; F285-Y316 HydrophobicContact CZ-CD2 4.46Å; F285-Y316 HydrophobicContact CZ-CE1 4.05Å; F285-Y316 HydrophobicContact CZ-CE2 4.22Å |
| 286 | H | 81.9 | Confident | 79.5 | Confident | 101 Ų | 101 | 69.6 Ų | 69.6 | 47% | 0.468 | 37% | 0.369 | S | S | . | . | trans | -70.1 | 146.5 | 169.1 | -110.3 | 79.2 | 0 | 0 | 0 | 111.5 | P268 I271 R307 | P268-H286 WeakPolarHBondContact CB-CE1 3.46Å; P268-H286 WeakPolarHBondContact CB-NE2 3.32Å; P268-H286 WeakPolarHBondContact CG-CE1 3.43Å; P268-H286 PolarHBondContact O-CE1 3.01Å; P268-H286 PolarHBondContact O-ND1 2.84Å; I271-H286 WeakPolarHBondContact CD1-O 3.36Å; H286-R307 PolarHBondContact O-NH1 3.12Å; H286-R307 VanDerWaalsContact O-NH1 3.16Å | ||
| 287 | C | 73.3 | Confident | 79.5 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | trans | -100.2 | 117.6 | 167.1 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | F258 A270 I271 | F258-C287 HydrophobicContact CE2-CB 3.95Å; A270-C287 HydrophobicContact CB-CB 3.64Å; I271-C287 HydrophobicContact CD1-CB 4.04Å | ||
| 288 | E | 64.3 | Low | 79.8 | Confident | 165 Ų | 165 | 67.3 Ų | 67.3 | 77% | 0.771 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -98.1 | -30.3 | -178.5 | -164.3 | 166.1 | -163.3 | 0 | 0 | 112 | ||
| 289 | S | 64.1 | Low | 80.2 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 62% | 0.622 | 34% | 0.339 | S | S | * | . | trans | -159.8 | 135.6 | 173.9 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | A291 | S289-A291 PolarHBondContact O-N 3Š| ||
| 290 | S | 56.2 | Low | 80.4 | Confident | 97 Ų | 97 | 67.6 Ų | 67.6 | 68% | 0.678 | 35% | 0.347 | S | S | * | . | trans | -81.7 | 57 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 291 | A | 55.6 | Low | 80.4 | Confident | 67 Ų | 67 | 64.5 Ų | 64.5 | 55% | 0.554 | 33% | 0.334 | S | S | * | . | trans | -65.8 | -59.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S289 | S289-A291 PolarHBondContact O-N 3Š| ||
| 292 | H | 69.1 | Low | 80.2 | Confident | 167 Ų | 167 | 60.1 Ų | 60.1 | 77% | 0.773 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -159.7 | 143.1 | 172.3 | -69.8 | -68.3 | 0 | 0 | 0 | 111.2 | I295 | H292-I295 WeakPolarHBondContact O-CG2 3.44Š|
| 293 | W | 76.5 | Confident | 80.3 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -90.8 | 142.3 | 171.3 | -175.2 | -102 | 0 | 0 | 0 | 110.8 | L245 I246 D247 V256 F258 I295 | L245-W293 HydrophobicContact CB-CD2 3.98Å; L245-W293 HydrophobicContact CB-CE3 4.48Å; L245-W293 HydrophobicContact CB-CG 4.25Å; L245-W293 HydrophobicContact CB-CZ2 4.29Å; L245-W293 HydrophobicContact CD1-CB 3.7Å; L245-W293 HydrophobicContact CD1-CD2 4.02Å; L245-W293 HydrophobicContact CD1-CE3 4.4Å; L245-W293 HydrophobicContact CD1-CG 3.71Å; L245-W293 HydrophobicContact CG-CG 4.45Å; I246-W293 PolarHBondContact O-NE1 3.09Å; D247-W293 HydrophobicContact CB-CZ2 3.49Å; D247-W293 VanDerWaalsContact CB-CZ2 3.49Å; V256-W293 HydrophobicContact CB-CH2 4.35Å; V256-W293 HydrophobicContact CG1-CH2 3.85Å; F258-W293 HydrophobicContact CB-CE3 4.13Å; F258-W293 HydrophobicContact CB-CH2 3.67Å; F258-W293 HydrophobicContact CB-CZ3 3.44Å; F258-W293 VanDerWaalsContact CB-CZ3 3.44Å; F258-W293 HydrophobicContact CG-CE3 4.32Å; F258-W293 AromaticContact CG-CZ3 3.97Å; F258-W293 HydrophobicContact CG-CZ3 3.97Å; W293-I295 HydrophobicContact CE3-CG1 4.11Å; W293-I295 HydrophobicContact CE3-CG2 4.46Å; W293-I295 HydrophobicContact CZ3-CD1 4.06Å; W293-I295 HydrophobicContact CZ3-CG1 3.8Å |
| 294 | P | 82.8 | Confident | 80.6 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | cis | -76.4 | 131.9 | -3.9 | -16.6 | 32.5 | 0 | 0 | 0 | 113.9 | ||||
| 295 | I | 84 | Confident | 80.8 | Confident | 32 Ų | 32 | 55 Ų | 55 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -73.7 | -31.3 | 174.3 | 59.8 | 179.1 | 0 | 0 | 0 | 112.4 | I271 H292 W293 | I271-I295 HydrophobicContact CB-CD1 4.34Å; I271-I295 HydrophobicContact CD1-CD1 3.06Å; I271-I295 HydrophobicContact CG1-CD1 3.42Å; I271-I295 VanDerWaalsContact CG1-CD1 3.42Å; I271-I295 HydrophobicContact CG2-CD1 4.12Å; H292-I295 WeakPolarHBondContact O-CG2 3.44Å; W293-I295 HydrophobicContact CE3-CG1 4.11Å; W293-I295 HydrophobicContact CE3-CG2 4.46Å; W293-I295 HydrophobicContact CZ3-CD1 4.06Å; W293-I295 HydrophobicContact CZ3-CG1 3.8Å |
| 296 | F | 88.7 | Confident | 81.1 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107.3 | 176.2 | -79.2 | -66.4 | 0 | 0 | 0 | 107.1 | V256 I271 F285 F305 A306 R307 Y316 | V256-F296 HydrophobicContact CG1-CD2 4.18Å; I271-F296 HydrophobicContact CB-CE2 4.37Å; I271-F296 HydrophobicContact CD1-CE2 4.4Å; I271-F296 HydrophobicContact CG2-CD2 3.88Å; I271-F296 HydrophobicContact CG2-CE2 3.71Å; F285-F296 HydrophobicContact CB-CE2 4.11Å; F285-F296 HydrophobicContact CB-CZ 4.01Å; F285-F296 AromaticContact CD1-CZ 3.8Å; F285-F296 HydrophobicContact CD1-CZ 3.8Å; F285-F296 HydrophobicContact CD2-CE1 4.42Å; F285-F296 AromaticContact CD2-CE2 3.66Å; F285-F296 HydrophobicContact CD2-CE2 3.66Å; F285-F296 AromaticContact CD2-CZ 3.39Å; F285-F296 HydrophobicContact CD2-CZ 3.39Å; F285-F296 HydrophobicContact CE1-CE1 4.5Å; F285-F296 HydrophobicContact CE1-CZ 4.04Å; F285-F296 HydrophobicContact CE2-CE1 4.28Å; F285-F296 HydrophobicContact CE2-CE2 4.2Å; F285-F296 AromaticContact CE2-CZ 3.65Å; F285-F296 HydrophobicContact CE2-CZ 3.65Å; F285-F296 AromaticContact CG-CE2 3.91Å; F285-F296 HydrophobicContact CG-CE2 3.91Å; F285-F296 AromaticContact CG-CZ 3.46Å; F285-F296 HydrophobicContact CG-CZ 3.46Å; F285-F296 VanDerWaalsContact CG-CZ 3.46Å; F285-F296 HydrophobicContact CZ-CE1 4.3Å; F285-F296 AromaticContact CZ-CZ 3.95Å; F285-F296 HydrophobicContact CZ-CZ 3.95Å; F296-F305 AromaticContact CD1-CD2 3.47Å; F296-F305 HydrophobicContact CD1-CD2 3.47Å; F296-F305 VanDerWaalsContact CD1-CD2 3.47Å; F296-F305 AromaticContact CD1-CE2 3.86Å; F296-F305 HydrophobicContact CD1-CE2 3.86Å; F296-F305 AromaticContact CE1-CD2 3.8Å; F296-F305 HydrophobicContact CE1-CD2 3.8Å; F296-F305 AromaticContact CE1-CE2 3.7Å; F296-F305 HydrophobicContact CE1-CE2 3.7Å; F296-F305 HydrophobicContact CG-CD2 4.23Å; F296-F305 HydrophobicContact CZ-CE2 4.47Å; F296-A306 WeakPolarHBondContact CA-O 3.49Å; F296-R307 HydrophobicContact CD1-CB 3.71Å; F296-R307 HydrophobicContact CD1-CG 4.44Å; F296-R307 HydrophobicContact CE1-CB 3.46Å; F296-R307 VanDerWaalsContact CE1-CB 3.46Å; F296-R307 HydrophobicContact CE1-CG 4.13Å; F296-R307 HydrophobicContact CZ-CB 4.2Å; F296-R307 HydrophobicContact CZ-CG 4.42Å; F296-Y316 HydrophobicContact CE1-CD2 4.21Å; F296-Y316 AromaticContact CE1-CE2 3.97Å; F296-Y316 HydrophobicContact CE1-CE2 3.97Å |
| 297 | K | 91.1 | Very high | 81.5 | Confident | 56 Ų | 56 | 51.8 Ų | 51.8 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 127.4 | 175.5 | -54.1 | -175.9 | -173.3 | -179.7 | 0 | 108 | F305 A306 D336 F337 W339 | K297-F305 WeakPolarHBondContact O-CA 3.33Å; K297-A306 PolarHBondContact N-O 2.86Å; K297-A306 VanDerWaalsContact N-O 3.15Å; K297-A306 PolarHBondContact O-N 2.9Å; K297-D336 IonicContact NZ-OD1 3.98Å; K297-D336 PolarHBondContact NZ-OD1 3.19Å; K297-F337 HydrophobicContact CB-CE2 3.77Å; K297-F337 HydrophobicContact CB-CZ 3.87Å; K297-F337 HydrophobicContact CD-CD2 4.43Å; K297-F337 HydrophobicContact CD-CE1 4.22Å; K297-F337 HydrophobicContact CD-CE2 3.95Å; K297-F337 HydrophobicContact CD-CZ 3.83Å; K297-F337 WeakPolarHBondContact CD-O 3.29Å; K297-F337 WeakPolarHBondContact CE-O 3.47Å; K297-F337 HydrophobicContact CG-CE1 4.49Å; K297-F337 HydrophobicContact CG-CE2 4.09Å; K297-F337 HydrophobicContact CG-CZ 3.79Å; K297-F337 PolarHBondContact NZ-O 3.32Å; K297-W339 PolarHBondContact O-NE1 3.35Å |
| 298 | W | 92.6 | Very high | 82.2 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 147.9 | -179.8 | -68.3 | 91.2 | 0 | 0 | 0 | 111.3 | P250 Y254 V256 I273 F305 T318 M321 | P250-W298 VanDerWaalsContact CD-CB 3.47Å; P250-W298 HydrophobicContact CG-CB 4.08Å; Y254-W298 AromaticContact CD2-CH2 3.83Å; Y254-W298 HydrophobicContact CD2-CH2 3.83Å; Y254-W298 AromaticContact CD2-CZ3 3.95Å; Y254-W298 HydrophobicContact CD2-CZ3 3.95Å; Y254-W298 HydrophobicContact CG-CH2 4.04Å; V256-W298 HydrophobicContact CG2-CZ2 3.73Å; I273-W298 HydrophobicContact CG2-CZ2 4.46Å; W298-F305 HydrophobicContact CD2-CB 3.82Å; W298-F305 HydrophobicContact CE3-CB 3.63Å; W298-F305 HydrophobicContact CE3-CD1 4.26Å; W298-F305 HydrophobicContact CE3-CG 4.26Å; W298-F305 HydrophobicContact CG-CB 4.4Å; W298-F305 HydrophobicContact CH2-CB 4.24Å; W298-F305 AromaticContact CH2-CD1 3.76Å; W298-F305 HydrophobicContact CH2-CD1 3.76Å; W298-F305 HydrophobicContact CH2-CE1 4.3Å; W298-F305 HydrophobicContact CH2-CG 4.03Å; W298-F305 HydrophobicContact CZ2-CB 4.43Å; W298-F305 HydrophobicContact CZ2-CG 4.41Å; W298-F305 HydrophobicContact CZ3-CB 3.84Å; W298-F305 AromaticContact CZ3-CD1 3.59Å; W298-F305 HydrophobicContact CZ3-CD1 3.59Å; W298-F305 HydrophobicContact CZ3-CE1 4.44Å; W298-F305 AromaticContact CZ3-CG 3.95Å; W298-F305 HydrophobicContact CZ3-CG 3.95Å; W298-T318 HydrophobicContact CH2-CG2 4.27Å; W298-T318 HydrophobicContact CZ3-CG2 3.68Å; W298-M321 HydrophobicContact CH2-CE 4.35Å |
| 299 | S | 93.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -67 | 158.5 | 162.9 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | D301 G302 K303 F304 | S299-D301 WeakPolarHBondContact CB-OD1 3.31Å; S299-D301 PolarHBondContact O-N 2.72Å; S299-D301 PolarHBondContact OG-OD1 2.95Å; S299-G302 PolarHBondContact O-N 3.4Å; S299-G302 PolarHBondContact OG-N 2.96Å; S299-K303 PolarHBondContact OG-N 3.24Å; S299-F304 PolarHBondContact N-O 2.93Å; S299-F304 PolarHBondContact OG-N 3.41Å; S299-F304 PolarHBondContact OG-O 3.37Å; S299-F304 VanDerWaalsContact OG-O 3.07Å |
| 300 | H | 88.4 | Confident | 83.9 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -33.5 | -177.5 | 73 | -82.3 | 0 | 0 | 0 | 113.5 | P341 N344 | H300-P341 WeakPolarHBondContact CB-O 3.29Å; H300-N344 PolarHBondContact CE1-OD1 3.39Å; H300-N344 PolarHBondContact ND1-OD1 3.49Å |
| 301 | D | 87.5 | Confident | 85.3 | Confident | 48 Ų | 48 | 47.3 Ų | 47.3 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10.9 | 176.9 | 61.4 | 3 | 0 | 0 | 0 | 113.2 | S299 K303 N344 | S299-D301 WeakPolarHBondContact CB-OD1 3.31Å; S299-D301 PolarHBondContact O-N 2.72Å; S299-D301 PolarHBondContact OG-OD1 2.95Å; D301-K303 PolarHBondContact O-N 3.33Å; D301-K303 VanDerWaalsContact OD1-CB 3.3Å; D301-K303 WeakPolarHBondContact OD1-CB 3.42Å; D301-K303 PolarHBondContact OD1-N 2.98Å; D301-K303 WeakPolarHBondContact OD2-CB 3.27Å; D301-N344 PolarHBondContact OD1-OD1 2.96Å; D301-N344 PolarHBondContact OD2-ND2 3.29Å |
| 302 | G | 87.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 63.9 | 20.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114 | S299 T318 | S299-G302 PolarHBondContact O-N 3.4Å; S299-G302 PolarHBondContact OG-N 2.96Å; G302-T318 PolarHBondContact O-OG1 2.8Å |
| 303 | K | 90.2 | Very high | 87.9 | Confident | 91 Ų | 91 | 38.2 Ų | 38.2 | 40% | 0.396 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -75.4 | -35.9 | 173.4 | -172 | 171.6 | -178.5 | 177.8 | 0 | 111.7 | S299 D301 T318 | S299-K303 PolarHBondContact OG-N 3.24Å; D301-K303 PolarHBondContact O-N 3.33Å; D301-K303 VanDerWaalsContact OD1-CB 3.3Å; D301-K303 WeakPolarHBondContact OD1-CB 3.42Å; D301-K303 PolarHBondContact OD1-N 2.98Å; D301-K303 WeakPolarHBondContact OD2-CB 3.27Å; K303-T318 WeakPolarHBondContact CA-OG1 3.26Å; K303-T318 PolarHBondContact O-N 2.87Å; K303-T318 PolarHBondContact O-OG1 3.23Å; K303-T318 VanDerWaalsContact O-OG1 3.13Å |
| 304 | F | 92.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151.7 | 179.6 | -54.9 | -69.1 | 0 | 0 | 0 | 110.7 | S299 I315 Y316 E317 L324 W339 P366 | S299-F304 PolarHBondContact N-O 2.93Å; S299-F304 PolarHBondContact OG-N 3.41Å; S299-F304 PolarHBondContact OG-O 3.37Å; S299-F304 VanDerWaalsContact OG-O 3.07Å; F304-I315 HydrophobicContact CB-CG2 4.34Å; F304-Y316 WeakPolarHBondContact CA-O 3.39Å; F304-E317 HydrophobicContact CD1-CB 4.26Å; F304-E317 HydrophobicContact CD1-CG 4.32Å; F304-E317 HydrophobicContact CE1-CB 4.26Å; F304-E317 HydrophobicContact CE1-CG 3.98Å; F304-L324 HydrophobicContact CD1-CD1 4.39Å; F304-L324 HydrophobicContact CD1-CD2 4.5Å; F304-L324 HydrophobicContact CE1-CD1 3.77Å; F304-L324 HydrophobicContact CE1-CD2 4.31Å; F304-W339 HydrophobicContact CB-CH2 3.64Å; F304-W339 HydrophobicContact CB-CZ2 4.09Å; F304-W339 HydrophobicContact CB-CZ3 4.44Å; F304-W339 HydrophobicContact CG-CH2 4.44Å; F304-P366 HydrophobicContact CZ-CB 4.3Å |
| 305 | F | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 146.4 | 165.1 | 64 | -79.1 | 0 | 0 | 0 | 108.9 | I273 F285 F296 K297 W298 Y316 T318 M321 | I273-F305 HydrophobicContact CD1-CD2 4.2Å; I273-F305 HydrophobicContact CD1-CE2 3.51Å; I273-F305 HydrophobicContact CD1-CZ 3.69Å; F285-F305 HydrophobicContact CE2-CE2 4.2Å; F285-F305 HydrophobicContact CZ-CE2 4.07Å; F285-F305 HydrophobicContact CZ-CZ 4.31Å; F296-F305 AromaticContact CD1-CD2 3.47Å; F296-F305 HydrophobicContact CD1-CD2 3.47Å; F296-F305 VanDerWaalsContact CD1-CD2 3.47Å; F296-F305 AromaticContact CD1-CE2 3.86Å; F296-F305 HydrophobicContact CD1-CE2 3.86Å; F296-F305 AromaticContact CE1-CD2 3.8Å; F296-F305 HydrophobicContact CE1-CD2 3.8Å; F296-F305 AromaticContact CE1-CE2 3.7Å; F296-F305 HydrophobicContact CE1-CE2 3.7Å; F296-F305 HydrophobicContact CG-CD2 4.23Å; F296-F305 HydrophobicContact CZ-CE2 4.47Å; K297-F305 WeakPolarHBondContact O-CA 3.33Å; W298-F305 HydrophobicContact CD2-CB 3.82Å; W298-F305 HydrophobicContact CE3-CB 3.63Å; W298-F305 HydrophobicContact CE3-CD1 4.26Å; W298-F305 HydrophobicContact CE3-CG 4.26Å; W298-F305 HydrophobicContact CG-CB 4.4Å; W298-F305 HydrophobicContact CH2-CB 4.24Å; W298-F305 AromaticContact CH2-CD1 3.76Å; W298-F305 HydrophobicContact CH2-CD1 3.76Å; W298-F305 HydrophobicContact CH2-CE1 4.3Å; W298-F305 HydrophobicContact CH2-CG 4.03Å; W298-F305 HydrophobicContact CZ2-CB 4.43Å; W298-F305 HydrophobicContact CZ2-CG 4.41Å; W298-F305 HydrophobicContact CZ3-CB 3.84Å; W298-F305 AromaticContact CZ3-CD1 3.59Å; W298-F305 HydrophobicContact CZ3-CD1 3.59Å; W298-F305 HydrophobicContact CZ3-CE1 4.44Å; W298-F305 AromaticContact CZ3-CG 3.95Å; W298-F305 HydrophobicContact CZ3-CG 3.95Å; F305-Y316 AromaticContact CD2-CD2 3.86Å; F305-Y316 HydrophobicContact CD2-CD2 3.86Å; F305-Y316 HydrophobicContact CD2-CG 4.3Å; F305-Y316 HydrophobicContact CE1-CG 4.25Å; F305-Y316 AromaticContact CE2-CD2 3.44Å; F305-Y316 HydrophobicContact CE2-CD2 3.44Å; F305-Y316 VanDerWaalsContact CE2-CD2 3.44Å; F305-Y316 HydrophobicContact CE2-CE2 4.33Å; F305-Y316 AromaticContact CE2-CG 3.63Å; F305-Y316 HydrophobicContact CE2-CG 3.63Å; F305-Y316 HydrophobicContact CZ-CD1 4.44Å; F305-Y316 AromaticContact CZ-CD2 3.96Å; F305-Y316 HydrophobicContact CZ-CD2 3.96Å; F305-Y316 AromaticContact CZ-CG 3.62Å; F305-Y316 HydrophobicContact CZ-CG 3.62Å; F305-Y316 PolarHBondContact N-O 2.84Å; F305-Y316 PolarHBondContact O-N 3.45Å; F305-T318 HydrophobicContact CD1-CG2 4.11Å; F305-T318 HydrophobicContact CE1-CG2 4.23Å; F305-M321 HydrophobicContact CD1-SD 4.31Å; F305-M321 HydrophobicContact CE1-SD 3.32Å; F305-M321 WeakPolarHBondContact CE1-SD 2.9Å; F305-M321 HydrophobicContact CZ-CB 4.47Å; F305-M321 HydrophobicContact CZ-SD 3.71Å |
| 306 | A | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 148.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F296 K297 L313 S314 I315 F337 W339 I346 | F296-A306 WeakPolarHBondContact CA-O 3.49Å; K297-A306 PolarHBondContact N-O 2.86Å; K297-A306 VanDerWaalsContact N-O 3.15Å; K297-A306 PolarHBondContact O-N 2.9Å; A306-L313 HydrophobicContact CB-CD1 4.26Å; A306-S314 VanDerWaalsContact CA-O 3.32Å; A306-S314 WeakPolarHBondContact CA-O 3.4Å; A306-I315 HydrophobicContact CB-CG1 4.1Å; A306-F337 HydrophobicContact CB-CE2 3.71Å; A306-F337 HydrophobicContact CB-CZ 4.12Å; A306-F337 WeakPolarHBondContact O-CZ 3.37Å; A306-W339 HydrophobicContact CB-CZ2 3.82Å; A306-I346 HydrophobicContact CB-CD1 4.5Å |
| 307 | R | 89 | Confident | 89.5 | Confident | 49 Ų | 49 | 36 Ų | 36 | 19% | 0.185 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.8 | 170.4 | -175.9 | -179.1 | 70.3 | 162.9 | 7.8 | 108.7 | H286 F296 S314 Y316 | H286-R307 PolarHBondContact O-NH1 3.12Å; H286-R307 VanDerWaalsContact O-NH1 3.16Å; F296-R307 HydrophobicContact CD1-CB 3.71Å; F296-R307 HydrophobicContact CD1-CG 4.44Å; F296-R307 HydrophobicContact CE1-CB 3.46Å; F296-R307 VanDerWaalsContact CE1-CB 3.46Å; F296-R307 HydrophobicContact CE1-CG 4.13Å; F296-R307 HydrophobicContact CZ-CB 4.2Å; F296-R307 HydrophobicContact CZ-CG 4.42Å; R307-S314 PolarHBondContact N-O 2.86Å; R307-S314 PolarHBondContact O-N 3.48Å; R307-Y316 HydrophobicContact CB-CE2 4.48Å |
| 308 | M | 87.9 | Confident | 89.4 | Confident | 65 Ų | 65 | 33.8 Ų | 33.8 | 32% | 0.32 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 137.1 | 170.1 | 62.6 | -177.7 | -74.6 | 0 | 0 | 110.6 | L313 I334 K335 F337 | M308-L313 HydrophobicContact CB-CD1 4.26Å; M308-I334 HydrophobicContact CE-CG2 4.45Å; M308-I334 WeakPolarHBondContact CE-O 3.43Å; M308-K335 WeakPolarHBondContact CE-O 3.13Å; M308-F337 HydrophobicContact CB-CD1 3.9Å; M308-F337 HydrophobicContact CB-CE1 3.83Å; M308-F337 HydrophobicContact CG-CD1 4.04Å; M308-F337 HydrophobicContact CG-CE1 3.78Å; M308-F337 HydrophobicContact SD-CD1 3.8Å; M308-F337 HydrophobicContact SD-CE1 4Å |
| 309 | T | 84.3 | Confident | 89.1 | Confident | 33 Ų | 33 | 37.5 Ų | 37.5 | 20% | 0.202 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 162.8 | 159.5 | -40.4 | 0 | 0 | 0 | 0 | 106.1 | D311 T312 | T309-D311 PolarHBondContact O-N 3.37Å; T309-T312 WeakPolarHBondContact CB-OG1 3.35Å; T309-T312 PolarHBondContact N-O 3.38Å; T309-T312 PolarHBondContact O-N 2.84Å; T309-T312 VanDerWaalsContact O-O 3.13Å |
| 310 | T | 80.1 | Confident | 88.5 | Confident | 105 Ų | 105 | 41.9 Ų | 41.9 | 64% | 0.644 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.9 | -39.2 | -174.4 | -47 | 0 | 0 | 0 | 0 | 114.3 | G333 | T310-G333 PolarHBondContact O-N 3.11Š|
| 311 | D | 85.2 | Confident | 88.4 | Confident | 80 Ų | 80 | 38.5 Ų | 38.5 | 43% | 0.428 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 4.7 | -177.3 | -64.2 | -44.8 | 0 | 0 | 0 | 115 | T309 I331 G333 | T309-D311 PolarHBondContact O-N 3.37Å; D311-I331 CarbonylContact C-O 3.46Å; D311-I331 CarbonylContact O-C 3.57Å; D311-I331 PolarHBondContact O-N 2.87Å; D311-I331 VanDerWaalsContact O-O 3.09Å; D311-G333 PolarHBondContact OD1-N 3Å |
| 312 | T | 89.6 | Confident | 88.4 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 26% | 0.264 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 137.4 | -177.9 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | T309 L329 | T309-T312 WeakPolarHBondContact CB-OG1 3.35Å; T309-T312 PolarHBondContact N-O 3.38Å; T309-T312 PolarHBondContact O-N 2.84Å; T309-T312 VanDerWaalsContact O-O 3.13Å; T312-L329 CarbonylContact C-O 3.56Å; T312-L329 WeakPolarHBondContact CA-O 3.28Å |
| 313 | L | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 108.6 | 168.5 | -172.8 | 67.4 | 0 | 0 | 0 | 108.4 | A306 M308 I315 L329 I331 I334 F337 I346 | A306-L313 HydrophobicContact CB-CD1 4.26Å; M308-L313 HydrophobicContact CB-CD1 4.26Å; L313-I315 HydrophobicContact CD2-CD1 4.32Å; L313-I315 HydrophobicContact CG-CG1 4.27Å; L313-L329 HydrophobicContact CB-CB 4.28Å; L313-L329 HydrophobicContact CD2-CD1 4.39Å; L313-L329 PolarHBondContact N-O 3.3Å; L313-L329 PolarHBondContact O-N 3.29Å; L313-I331 HydrophobicContact CB-CD1 4.47Å; L313-I334 HydrophobicContact CB-CD1 3.81Å; L313-F337 HydrophobicContact CD1-CD1 4.17Å; L313-F337 HydrophobicContact CD1-CD2 4.32Å; L313-F337 HydrophobicContact CD1-CE1 4.37Å; L313-F337 HydrophobicContact CD1-CG 4.15Å; L313-I346 HydrophobicContact CD2-CD1 4.24Å; L313-I346 HydrophobicContact CD2-CG2 4.48Å |
| 314 | S | 90.9 | Very high | 88.3 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 120.7 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 109.5 | A306 R307 S328 | A306-S314 VanDerWaalsContact CA-O 3.32Å; A306-S314 WeakPolarHBondContact CA-O 3.4Å; R307-S314 PolarHBondContact N-O 2.86Å; R307-S314 PolarHBondContact O-N 3.48Å; S314-S328 PolarHBondContact OG-OG 2.89Å |
| 315 | I | 92.3 | Very high | 88 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.1 | 179.6 | -53 | -177.8 | 0 | 0 | 0 | 108.1 | F304 A306 L313 L323 L324 L329 I346 L365 | F304-I315 HydrophobicContact CB-CG2 4.34Å; A306-I315 HydrophobicContact CB-CG1 4.1Å; L313-I315 HydrophobicContact CD2-CD1 4.32Å; L313-I315 HydrophobicContact CG-CG1 4.27Å; I315-L323 WeakPolarHBondContact O-CD1 3.32Å; I315-L324 HydrophobicContact CB-CB 4.44Å; I315-L324 HydrophobicContact CG2-CB 4.41Å; I315-L324 HydrophobicContact CG2-CD2 4.09Å; I315-L324 WeakPolarHBondContact O-CB 3.46Å; I315-L324 PolarHBondContact O-N 2.83Å; I315-L329 HydrophobicContact CD1-CD1 3.69Å; I315-I346 HydrophobicContact CD1-CD1 3.72Å; I315-L365 HydrophobicContact CD1-CD1 4.23Å; I315-L365 HydrophobicContact CD1-CD2 3.62Å; I315-L365 HydrophobicContact CD1-CG 4.43Å; I315-L365 HydrophobicContact CG2-CD2 3.77Å |
| 316 | Y | 92.1 | Very high | 87.6 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 7% | 0.071 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 149.2 | -178.3 | -57.4 | -85 | 0 | 0 | 0 | 110.2 | F285 F296 F304 F305 R307 G322 L323 | F285-Y316 HydrophobicContact CE1-CD1 4.44Å; F285-Y316 AromaticContact CE1-CE1 3.74Å; F285-Y316 HydrophobicContact CE1-CE1 3.74Å; F285-Y316 AromaticContact CE1-CE2 3.97Å; F285-Y316 HydrophobicContact CE1-CE2 3.97Å; F285-Y316 AromaticContact CE1-CZ 3.47Å; F285-Y316 VanDerWaalsContact CE1-CZ 3.47Å; F285-Y316 WeakPolarHBondContact CE1-OH 3.32Å; F285-Y316 HydrophobicContact CZ-CD1 4.31Å; F285-Y316 HydrophobicContact CZ-CD2 4.46Å; F285-Y316 HydrophobicContact CZ-CE1 4.05Å; F285-Y316 HydrophobicContact CZ-CE2 4.22Å; F296-Y316 HydrophobicContact CE1-CD2 4.21Å; F296-Y316 AromaticContact CE1-CE2 3.97Å; F296-Y316 HydrophobicContact CE1-CE2 3.97Å; F304-Y316 WeakPolarHBondContact CA-O 3.39Å; F305-Y316 AromaticContact CD2-CD2 3.86Å; F305-Y316 HydrophobicContact CD2-CD2 3.86Å; F305-Y316 HydrophobicContact CD2-CG 4.3Å; F305-Y316 HydrophobicContact CE1-CG 4.25Å; F305-Y316 AromaticContact CE2-CD2 3.44Å; F305-Y316 HydrophobicContact CE2-CD2 3.44Å; F305-Y316 VanDerWaalsContact CE2-CD2 3.44Å; F305-Y316 HydrophobicContact CE2-CE2 4.33Å; F305-Y316 AromaticContact CE2-CG 3.63Å; F305-Y316 HydrophobicContact CE2-CG 3.63Å; F305-Y316 HydrophobicContact CZ-CD1 4.44Å; F305-Y316 AromaticContact CZ-CD2 3.96Å; F305-Y316 HydrophobicContact CZ-CD2 3.96Å; F305-Y316 AromaticContact CZ-CG 3.62Å; F305-Y316 HydrophobicContact CZ-CG 3.62Å; F305-Y316 PolarHBondContact N-O 2.84Å; F305-Y316 PolarHBondContact O-N 3.45Å; R307-Y316 HydrophobicContact CB-CE2 4.48Å; Y316-G322 CarbonylContact C-O 3.54Å; Y316-G322 WeakPolarHBondContact CA-O 3.01Å; Y316-L323 HydrophobicContact CD1-CB 4.39Å; Y316-L323 HydrophobicContact CD1-CD1 4.12Å; Y316-L323 HydrophobicContact CE1-CB 4.44Å; Y316-L323 HydrophobicContact CE1-CD1 3.86Å |
| 317 | E | 91.1 | Very high | 87.3 | Confident | 65 Ų | 65 | 57 Ų | 57 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 137 | -177.8 | -177.3 | 171.6 | -152.3 | 0 | 0 | 111.1 | F304 M321 G322 L324 | F304-E317 HydrophobicContact CD1-CB 4.26Å; F304-E317 HydrophobicContact CD1-CG 4.32Å; F304-E317 HydrophobicContact CE1-CB 4.26Å; F304-E317 HydrophobicContact CE1-CG 3.98Å; E317-M321 CarbonylContact O-C 3.58Å; E317-M321 WeakPolarHBondContact O-CA 3.21Å; E317-M321 PolarHBondContact O-N 3.45Å; E317-G322 PolarHBondContact N-O 2.88Å; E317-G322 PolarHBondContact O-N 2.83Å; E317-L324 HydrophobicContact CB-CD1 4.17Å |
| 318 | T | 88.6 | Confident | 87.2 | Confident | 10 Ų | 10 | 57 Ų | 57 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 145.9 | 170.5 | 70.2 | 0 | 0 | 0 | 0 | 110.3 | Y254 W298 G302 K303 F305 M321 | Y254-T318 HydrophobicContact CD2-CG2 4.19Å; Y254-T318 HydrophobicContact CE2-CG2 3.65Å; W298-T318 HydrophobicContact CH2-CG2 4.27Å; W298-T318 HydrophobicContact CZ3-CG2 3.68Å; G302-T318 PolarHBondContact O-OG1 2.8Å; K303-T318 WeakPolarHBondContact CA-OG1 3.26Å; K303-T318 PolarHBondContact O-N 2.87Å; K303-T318 PolarHBondContact O-OG1 3.23Å; K303-T318 VanDerWaalsContact O-OG1 3.13Å; F305-T318 HydrophobicContact CD1-CG2 4.11Å; F305-T318 HydrophobicContact CE1-CG2 4.23Å; T318-M321 HydrophobicContact CG2-CE 3.97Å; T318-M321 HydrophobicContact CG2-SD 3.91Å |
| 319 | P | 85.3 | Confident | 87.1 | Confident | 96 Ų | 96 | 55.2 Ų | 55.2 | 62% | 0.623 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -94.1 | -12.2 | 15.1 | 35.8 | -35.9 | 0 | 0 | 0 | 115.9 | Y254 M321 | Y254-P319 WeakPolarHBondContact OH-CA 3.45Å; P319-M321 PolarHBondContact O-N 3.49Å |
| 320 | S | 81.8 | Confident | 87.4 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 65% | 0.65 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.2 | -174.8 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | G322 | S320-G322 PolarHBondContact O-N 2.87Å; S320-G322 VanDerWaalsContact O-N 3.11Å; S320-G322 PolarHBondContact OG-N 2.9Å |
| 321 | M | 85.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 19.8 | -171.9 | -56.2 | -63 | 176.3 | 0 | 0 | 112.6 | Y254 I273 K282 R283 W298 F305 E317 T318 P319 | Y254-M321 HydrophobicContact CD1-CE 3.23Å; Y254-M321 HydrophobicContact CD2-CE 3.91Å; Y254-M321 HydrophobicContact CE1-CE 3.18Å; Y254-M321 HydrophobicContact CE2-CE 3.87Å; Y254-M321 HydrophobicContact CG-CE 3.6Å; I273-M321 HydrophobicContact CG2-CE 3.89Å; I273-M321 HydrophobicContact CG2-SD 4.39Å; K282-M321 HydrophobicContact CB-CE 4.47Å; K282-M321 HydrophobicContact CB-CG 3.9Å; K282-M321 HydrophobicContact CG-CE 4.47Å; R283-M321 HydrophobicContact CB-CB 4.25Å; R283-M321 PolarHBondContact NH1-O 3.26Å; W298-M321 HydrophobicContact CH2-CE 4.35Å; F305-M321 HydrophobicContact CD1-SD 4.31Å; F305-M321 HydrophobicContact CE1-SD 3.32Å; F305-M321 WeakPolarHBondContact CE1-SD 2.9Å; F305-M321 HydrophobicContact CZ-CB 4.47Å; F305-M321 HydrophobicContact CZ-SD 3.71Å; E317-M321 CarbonylContact O-C 3.58Å; E317-M321 WeakPolarHBondContact O-CA 3.21Å; E317-M321 PolarHBondContact O-N 3.45Å; T318-M321 HydrophobicContact CG2-CE 3.97Å; T318-M321 HydrophobicContact CG2-SD 3.91Å; P319-M321 PolarHBondContact O-N 3.49Å |
| 322 | G | 87.3 | Confident | 87.7 | Confident | 24 Ų | 24 | 58 Ų | 58 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 159.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y316 E317 S320 | Y316-G322 CarbonylContact C-O 3.54Å; Y316-G322 WeakPolarHBondContact CA-O 3.01Å; E317-G322 PolarHBondContact N-O 2.88Å; E317-G322 PolarHBondContact O-N 2.83Å; S320-G322 PolarHBondContact O-N 2.87Å; S320-G322 VanDerWaalsContact O-N 3.11Å; S320-G322 PolarHBondContact OG-N 2.9Å |
| 323 | L | 89.8 | Confident | 87.6 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.5 | 171.7 | -173.6 | 72.2 | 0 | 0 | 0 | 108.7 | I315 Y316 D325 K326 | I315-L323 WeakPolarHBondContact O-CD1 3.32Å; Y316-L323 HydrophobicContact CD1-CB 4.39Å; Y316-L323 HydrophobicContact CD1-CD1 4.12Å; Y316-L323 HydrophobicContact CE1-CB 4.44Å; Y316-L323 HydrophobicContact CE1-CD1 3.86Å; L323-D325 PolarHBondContact O-N 2.86Å; L323-K326 PolarHBondContact O-N 3.07Å |
| 324 | L | 87.4 | Confident | 87.5 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -57.1 | 130.7 | -179.5 | -171.1 | 68.4 | 0 | 0 | 0 | 109.7 | F304 I315 E317 K326 K327 L365 R368 | F304-L324 HydrophobicContact CD1-CD1 4.39Å; F304-L324 HydrophobicContact CD1-CD2 4.5Å; F304-L324 HydrophobicContact CE1-CD1 3.77Å; F304-L324 HydrophobicContact CE1-CD2 4.31Å; I315-L324 HydrophobicContact CB-CB 4.44Å; I315-L324 HydrophobicContact CG2-CB 4.41Å; I315-L324 HydrophobicContact CG2-CD2 4.09Å; I315-L324 WeakPolarHBondContact O-CB 3.46Å; I315-L324 PolarHBondContact O-N 2.83Å; E317-L324 HydrophobicContact CB-CD1 4.17Å; L324-K326 PolarHBondContact O-N 2.64Å; L324-K327 PolarHBondContact O-N 3.43Å; L324-K327 VanDerWaalsContact O-N 3.12Å; L324-L365 HydrophobicContact CD2-CD2 3.7Å; L324-R368 VanDerWaalsContact CG-NH2 3.28Å; L324-R368 PolarHBondContact O-NH2 2.91Å |
| 325 | D | 84.1 | Confident | 87.3 | Confident | 107 Ų | 107 | 63.8 Ų | 63.8 | 57% | 0.572 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | 46.4 | 21.2 | -173.7 | -49.7 | -49.1 | 0 | 0 | 0 | 115.4 | L323 K327 R368 | L323-D325 PolarHBondContact O-N 2.86Å; D325-K327 PolarHBondContact O-N 2.69Å; D325-R368 VanDerWaalsContact CB-NH2 3.29Å; D325-R368 VanDerWaalsContact CG-NH2 3.34Å; D325-R368 IonicContact OD2-CZ 3.29Å; D325-R368 IonicContact OD2-NE 2.73Å; D325-R368 PolarHBondContact OD2-NE 3.29Å; D325-R368 IonicContact OD2-NH2 3.3Å; D325-R368 PolarHBondContact OD2-NH2 3.32Å |
| 326 | K | 85 | Confident | 87.2 | Confident | 190 Ų | 190 | 65.8 Ų | 65.8 | 83% | 0.826 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | 53.6 | 19.9 | -173.5 | -54.7 | 179 | -179.4 | 178.8 | 0 | 114.2 | L323 L324 | L323-K326 PolarHBondContact O-N 3.07Å; L324-K326 PolarHBondContact O-N 2.64Å |
| 327 | K | 84.8 | Confident | 87.2 | Confident | 152 Ų | 152 | 65 Ų | 65 | 66% | 0.661 | 34% | 0.343 | S | S | * | . | trans | -134.3 | 123.4 | -177.7 | -71.2 | -178 | -179 | 177.8 | 0 | 111.2 | L324 D325 R368 | L324-K327 PolarHBondContact O-N 3.43Å; L324-K327 VanDerWaalsContact O-N 3.12Å; D325-K327 PolarHBondContact O-N 2.69Å; K327-R368 PolarHBondContact O-NH1 2.87Å | ||
| 328 | S | 87.2 | Confident | 87.3 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | trans | -74.5 | 148.2 | 168 | -60 | 0 | 0 | 0 | 0 | 110.2 | S314 K330 | S314-S328 PolarHBondContact OG-OG 2.89Å; S328-K330 PolarHBondContact O-N 3.18Å | ||
| 329 | L | 87.4 | Confident | 87.6 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 118 | 174 | -66 | 169.7 | 0 | 0 | 0 | 108.7 | T312 L313 I315 I331 M363 | T312-L329 CarbonylContact C-O 3.56Å; T312-L329 WeakPolarHBondContact CA-O 3.28Å; L313-L329 HydrophobicContact CB-CB 4.28Å; L313-L329 HydrophobicContact CD2-CD1 4.39Å; L313-L329 PolarHBondContact N-O 3.3Å; L313-L329 PolarHBondContact O-N 3.29Å; I315-L329 HydrophobicContact CD1-CD1 3.69Å; L329-I331 HydrophobicContact CB-CD1 4.03Å; L329-I331 HydrophobicContact CB-CG1 4.29Å; L329-I331 PolarHBondContact O-N 2.91Å; L329-M363 HydrophobicContact CD1-CE 4.13Å; L329-M363 HydrophobicContact CD1-SD 3.49Å; L329-M363 WeakPolarHBondContact CD1-SD 3.42Å |
| 330 | K | 89 | Confident | 88 | Confident | 171 Ų | 171 | 59 Ų | 59 | 74% | 0.743 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 101.2 | 175.2 | -169.6 | 176 | -177.4 | 179.4 | 0 | 109 | S328 | S328-K330 PolarHBondContact O-N 3.18Å |
| 331 | I | 86.3 | Confident | 88.4 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.077 | 30% | 0.295 | C | S | . | . | trans | -132.1 | 106 | 179.2 | -56.4 | 163.6 | 0 | 0 | 0 | 105.1 | D311 L313 L329 I334 F348 V350 M363 | D311-I331 CarbonylContact C-O 3.46Å; D311-I331 CarbonylContact O-C 3.57Å; D311-I331 PolarHBondContact O-N 2.87Å; D311-I331 VanDerWaalsContact O-O 3.09Å; L313-I331 HydrophobicContact CB-CD1 4.47Å; L329-I331 HydrophobicContact CB-CD1 4.03Å; L329-I331 HydrophobicContact CB-CG1 4.29Å; L329-I331 PolarHBondContact O-N 2.91Å; I331-I334 HydrophobicContact CB-CD1 3.53Å; I331-I334 HydrophobicContact CB-CG1 3.85Å; I331-I334 HydrophobicContact CD1-CD1 3.99Å; I331-I334 HydrophobicContact CG1-CD1 4.35Å; I331-I334 HydrophobicContact CG2-CD1 3.71Å; I331-I334 HydrophobicContact CG2-CG1 3.46Å; I331-I334 VanDerWaalsContact CG2-CG1 3.46Å; I331-F348 HydrophobicContact CD1-CE1 4.06Å; I331-F348 HydrophobicContact CD1-CE2 3.93Å; I331-F348 HydrophobicContact CD1-CZ 3.64Å; I331-F348 HydrophobicContact CG2-CD2 4.33Å; I331-F348 HydrophobicContact CG2-CE2 3.78Å; I331-F348 HydrophobicContact CG2-CZ 4.47Å; I331-V350 HydrophobicContact CG2-CG2 3.93Å; I331-M363 HydrophobicContact CD1-CE 4.48Å | ||
| 332 | N | 86.9 | Confident | 88.5 | Confident | 92 Ų | 92 | 58.3 Ų | 58.3 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 138.4 | -175.5 | -59.1 | -7.7 | 0 | 0 | 0 | 110.2 | V350 | N332-V350 WeakPolarHBondContact O-CG1 3.45Š|
| 333 | G | 85.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 26.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | T310 D311 K335 P351 | T310-G333 PolarHBondContact O-N 3.11Å; D311-G333 PolarHBondContact OD1-N 3Å; G333-K335 PolarHBondContact O-N 3.48Å; G333-P351 WeakPolarHBondContact O-CD 3.49Å |
| 334 | I | 88.8 | Confident | 88.7 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | trans | -61.8 | 126 | 174.1 | -62.2 | 163.9 | 0 | 0 | 0 | 109.6 | M308 L313 I331 F348 V350 | M308-I334 HydrophobicContact CE-CG2 4.45Å; M308-I334 WeakPolarHBondContact CE-O 3.43Å; L313-I334 HydrophobicContact CB-CD1 3.81Å; I331-I334 HydrophobicContact CB-CD1 3.53Å; I331-I334 HydrophobicContact CB-CG1 3.85Å; I331-I334 HydrophobicContact CD1-CD1 3.99Å; I331-I334 HydrophobicContact CG1-CD1 4.35Å; I331-I334 HydrophobicContact CG2-CD1 3.71Å; I331-I334 HydrophobicContact CG2-CG1 3.46Å; I331-I334 VanDerWaalsContact CG2-CG1 3.46Å; I334-F348 HydrophobicContact CG1-CD2 4.34Å; I334-F348 HydrophobicContact CG2-CB 4.33Å; I334-V350 HydrophobicContact CG1-CG2 4.36Å | ||
| 335 | K | 87.7 | Confident | 89 | Confident | 134 Ų | 134 | 58.9 Ų | 58.9 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | trans | -93.9 | -41.4 | 177.3 | -80.1 | -73.5 | -173.6 | 179.8 | 0 | 113.3 | M308 G333 W349 P351 | M308-K335 WeakPolarHBondContact CE-O 3.13Å; G333-K335 PolarHBondContact O-N 3.48Å; K335-W349 HydrophobicContact CB-CD2 4.06Å; K335-W349 VanDerWaalsContact CB-CE2 3.46Å; K335-W349 HydrophobicContact CB-CE3 4.43Å; K335-W349 HydrophobicContact CB-CH2 3.81Å; K335-W349 HydrophobicContact CB-CZ2 3.34Å; K335-W349 HydrophobicContact CB-CZ3 4.34Å; K335-W349 HydrophobicContact CG-CH2 3.87Å; K335-W349 HydrophobicContact CG-CZ2 3.91Å; K335-W349 HydrophobicContact CG-CZ3 4.33Å; K335-W349 PolarHBondContact N-O 2.92Å; K335-P351 HydrophobicContact CG-CB 4.37Å; K335-P351 HydrophobicContact CG-CG 3.67Å | ||
| 336 | D | 89.3 | Confident | 89.5 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 155.6 | 174.6 | -167.5 | 17.8 | 0 | 0 | 0 | 110.4 | K297 F348 W349 | K297-D336 IonicContact NZ-OD1 3.98Å; K297-D336 PolarHBondContact NZ-OD1 3.19Å; D336-F348 WeakPolarHBondContact O-CA 3.21Å; D336-W349 PolarHBondContact O-N 2.5Å; D336-W349 VanDerWaalsContact O-N 3.16Å |
| 337 | F | 92.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.5 | 173.7 | 78.2 | -78.6 | 0 | 0 | 0 | 110.5 | K297 A306 M308 L313 W339 I346 A347 F348 | K297-F337 HydrophobicContact CB-CE2 3.77Å; K297-F337 HydrophobicContact CB-CZ 3.87Å; K297-F337 HydrophobicContact CD-CD2 4.43Å; K297-F337 HydrophobicContact CD-CE1 4.22Å; K297-F337 HydrophobicContact CD-CE2 3.95Å; K297-F337 HydrophobicContact CD-CZ 3.83Å; K297-F337 WeakPolarHBondContact CD-O 3.29Å; K297-F337 WeakPolarHBondContact CE-O 3.47Å; K297-F337 HydrophobicContact CG-CE1 4.49Å; K297-F337 HydrophobicContact CG-CE2 4.09Å; K297-F337 HydrophobicContact CG-CZ 3.79Å; K297-F337 PolarHBondContact NZ-O 3.32Å; A306-F337 HydrophobicContact CB-CE2 3.71Å; A306-F337 HydrophobicContact CB-CZ 4.12Å; A306-F337 WeakPolarHBondContact O-CZ 3.37Å; M308-F337 HydrophobicContact CB-CD1 3.9Å; M308-F337 HydrophobicContact CB-CE1 3.83Å; M308-F337 HydrophobicContact CG-CD1 4.04Å; M308-F337 HydrophobicContact CG-CE1 3.78Å; M308-F337 HydrophobicContact SD-CD1 3.8Å; M308-F337 HydrophobicContact SD-CE1 4Å; L313-F337 HydrophobicContact CD1-CD1 4.17Å; L313-F337 HydrophobicContact CD1-CD2 4.32Å; L313-F337 HydrophobicContact CD1-CE1 4.37Å; L313-F337 HydrophobicContact CD1-CG 4.15Å; F337-W339 AromaticContact CE2-NE1 3.9Å; F337-I346 HydrophobicContact CB-CG2 4.17Å; F337-I346 HydrophobicContact CD2-CG2 4.17Å; F337-A347 CarbonylContact C-O 3.53Å; F337-A347 WeakPolarHBondContact CA-O 3.32Å; F337-F348 HydrophobicContact CB-CB 3.75Å |
| 338 | S | 93.4 | Very high | 90.4 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 21% | 0.21 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 137.9 | 179.8 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | A347 W386 | S338-A347 PolarHBondContact N-O 2.86Å; S338-A347 PolarHBondContact O-N 2.99Å; S338-W386 PolarHBondContact O-NE1 3.05Å; S338-W386 VanDerWaalsContact OG-CD1 3.3Å |
| 339 | W | 94.3 | Very high | 90.6 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 6% | 0.064 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 142.5 | 176.8 | -71.5 | 97 | 0 | 0 | 0 | 110.9 | K297 F304 A306 F337 I346 L365 W386 | K297-W339 PolarHBondContact O-NE1 3.35Å; F304-W339 HydrophobicContact CB-CH2 3.64Å; F304-W339 HydrophobicContact CB-CZ2 4.09Å; F304-W339 HydrophobicContact CB-CZ3 4.44Å; F304-W339 HydrophobicContact CG-CH2 4.44Å; A306-W339 HydrophobicContact CB-CZ2 3.82Å; F337-W339 AromaticContact CE2-NE1 3.9Å; W339-I346 HydrophobicContact CD2-CD1 4.3Å; W339-I346 HydrophobicContact CD2-CG1 3.69Å; W339-I346 HydrophobicContact CE3-CD1 4.24Å; W339-I346 HydrophobicContact CE3-CG1 3.46Å; W339-I346 VanDerWaalsContact CE3-CG1 3.46Å; W339-I346 HydrophobicContact CH2-CD1 3.5Å; W339-I346 VanDerWaalsContact CH2-CD1 3.5Å; W339-I346 HydrophobicContact CH2-CG1 3.65Å; W339-I346 HydrophobicContact CZ2-CD1 3.54Å; W339-I346 HydrophobicContact CZ2-CG1 3.86Å; W339-I346 HydrophobicContact CZ3-CD1 3.86Å; W339-I346 HydrophobicContact CZ3-CG1 3.44Å; W339-I346 VanDerWaalsContact CZ3-CG1 3.44Å; W339-L365 HydrophobicContact CH2-CD1 3.94Å; W339-L365 HydrophobicContact CH2-CD2 4.24Å; W339-L365 HydrophobicContact CZ3-CD1 3.87Å; W339-W386 PolarHBondContact O-NE1 2.86Å |
| 340 | S | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -64.4 | 132.2 | 165.4 | 173.3 | 0 | 0 | 0 | 0 | 109.3 | G342 D343 I345 | S340-G342 VanDerWaalsContact C-N 3.28Å; S340-G342 PolarHBondContact O-N 3.13Å; S340-D343 WeakPolarHBondContact CB-O 3.44Å; S340-D343 PolarHBondContact OG-N 2.92Å; S340-I345 PolarHBondContact N-O 3.38Å | ||
| 341 | P | 90.1 | Very high | 91 | Very high | 53 Ų | 53 | 28.4 Ų | 28.4 | 34% | 0.344 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -77 | -12.1 | -178.9 | 28.9 | -34 | 0 | 0 | 0 | 113.7 | H300 W386 Q387 R388 | H300-P341 WeakPolarHBondContact CB-O 3.29Å; P341-W386 HydrophobicContact CG-CB 4.2Å; P341-Q387 WeakPolarHBondContact CG-O 3.14Å; P341-R388 WeakPolarHBondContact CB-O 3.44Å; P341-R388 VanDerWaalsContact CG-O 3.31Å; P341-R388 WeakPolarHBondContact CG-O 3.25Å |
| 342 | G | 87.3 | Confident | 91.1 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 27% | 0.268 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -113 | -26.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S340 | S340-G342 VanDerWaalsContact C-N 3.28Å; S340-G342 PolarHBondContact O-N 3.13Å |
| 343 | D | 88.9 | Confident | 91 | Very high | 45 Ų | 45 | 31.3 Ų | 31.3 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -128.2 | 158.9 | -176 | -61.4 | -40.6 | 0 | 0 | 0 | 110.4 | S340 I345 R417 | S340-D343 WeakPolarHBondContact CB-O 3.44Å; S340-D343 PolarHBondContact OG-N 2.92Å; D343-I345 HydrophobicContact CB-CD1 4.01Å; D343-I345 HydrophobicContact CB-CG1 4.08Å; D343-I345 PolarHBondContact O-N 3.38Å; D343-R417 IonicContact OD1-CZ 3.45Å; D343-R417 IonicContact OD1-NH1 2.76Å; D343-R417 PolarHBondContact OD1-NH1 2.91Å; D343-R417 IonicContact OD1-NH2 2.69Å; D343-R417 IonicContact OD2-CZ 3.1Å; D343-R417 IonicContact OD2-NH1 3.69Å; D343-R417 PolarHBondContact OD2-NH1 2.8Å; D343-R417 IonicContact OD2-NH2 2.91Å |
| 344 | N | 91.3 | Very high | 90.9 | Very high | 35 Ų | 35 | 39 Ų | 39 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -80.9 | 60.5 | 175.7 | -74.1 | -28.6 | 0 | 0 | 0 | 111.6 | H300 D301 L365 | H300-N344 PolarHBondContact CE1-OD1 3.39Å; H300-N344 PolarHBondContact ND1-OD1 3.49Å; D301-N344 PolarHBondContact OD1-OD1 2.96Å; D301-N344 PolarHBondContact OD2-ND2 3.29Å; N344-L365 PolarHBondContact O-N 2.9Å |
| 345 | I | 93.8 | Very high | 90.6 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.062 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.3 | 179.2 | -60.1 | 173.2 | 0 | 0 | 0 | 108.7 | S340 D343 L362 M363 Q364 I371 M416 | S340-I345 PolarHBondContact N-O 3.38Å; D343-I345 HydrophobicContact CB-CD1 4.01Å; D343-I345 HydrophobicContact CB-CG1 4.08Å; D343-I345 PolarHBondContact O-N 3.38Å; I345-L362 HydrophobicContact CG2-CB 4.38Å; I345-L362 HydrophobicContact CG2-CD2 4.24Å; I345-M363 CarbonylContact C-O 3.51Å; I345-M363 WeakPolarHBondContact CA-O 3.36Å; I345-M363 WeakPolarHBondContact CG2-O 3.34Å; I345-Q364 HydrophobicContact CG1-CG 4.48Å; I345-I371 HydrophobicContact CD1-CD1 3.84Å; I345-I371 HydrophobicContact CG1-CD1 4.16Å; I345-I371 HydrophobicContact CG2-CD1 4.43Å; I345-M416 HydrophobicContact CD1-CE 3.47Å; I345-M416 VanDerWaalsContact CD1-CE 3.47Å; I345-M416 HydrophobicContact CG2-CE 4.27Å |
| 346 | I | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.6 | 170.5 | -62.6 | 177 | 0 | 0 | 0 | 108.4 | A306 L313 I315 F337 W339 F348 M363 L365 | A306-I346 HydrophobicContact CB-CD1 4.5Å; L313-I346 HydrophobicContact CD2-CD1 4.24Å; L313-I346 HydrophobicContact CD2-CG2 4.48Å; I315-I346 HydrophobicContact CD1-CD1 3.72Å; F337-I346 HydrophobicContact CB-CG2 4.17Å; F337-I346 HydrophobicContact CD2-CG2 4.17Å; W339-I346 HydrophobicContact CD2-CD1 4.3Å; W339-I346 HydrophobicContact CD2-CG1 3.69Å; W339-I346 HydrophobicContact CE3-CD1 4.24Å; W339-I346 HydrophobicContact CE3-CG1 3.46Å; W339-I346 VanDerWaalsContact CE3-CG1 3.46Å; W339-I346 HydrophobicContact CH2-CD1 3.5Å; W339-I346 VanDerWaalsContact CH2-CD1 3.5Å; W339-I346 HydrophobicContact CH2-CG1 3.65Å; W339-I346 HydrophobicContact CZ2-CD1 3.54Å; W339-I346 HydrophobicContact CZ2-CG1 3.86Å; W339-I346 HydrophobicContact CZ3-CD1 3.86Å; W339-I346 HydrophobicContact CZ3-CG1 3.44Å; W339-I346 VanDerWaalsContact CZ3-CG1 3.44Å; I346-F348 HydrophobicContact CG2-CD1 4.19Å; I346-M363 PolarHBondContact N-O 3.13Å; I346-M363 PolarHBondContact O-N 3.17Å; I346-L365 HydrophobicContact CB-CD1 4.3Å; I346-L365 HydrophobicContact CD1-CD1 3.4Å; I346-L365 VanDerWaalsContact CD1-CD1 3.4Å; I346-L365 HydrophobicContact CG1-CD1 3.54Å |
| 347 | A | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | F337 S338 T361 L362 L384 W386 L393 | F337-A347 CarbonylContact C-O 3.53Å; F337-A347 WeakPolarHBondContact CA-O 3.32Å; S338-A347 PolarHBondContact N-O 2.86Å; S338-A347 PolarHBondContact O-N 2.99Å; A347-T361 WeakPolarHBondContact CA-O 3.42Å; A347-L362 HydrophobicContact CB-CD2 3.72Å; A347-L384 HydrophobicContact CB-CD1 3.99Å; A347-W386 HydrophobicContact CB-CZ2 3.5Å; A347-L393 HydrophobicContact CB-CD2 3.8Å |
| 348 | F | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 156.4 | 167.5 | 63.6 | -89.8 | 0 | 0 | 0 | 109.6 | I331 I334 D336 F337 I346 V350 T361 M363 | I331-F348 HydrophobicContact CD1-CE1 4.06Å; I331-F348 HydrophobicContact CD1-CE2 3.93Å; I331-F348 HydrophobicContact CD1-CZ 3.64Å; I331-F348 HydrophobicContact CG2-CD2 4.33Å; I331-F348 HydrophobicContact CG2-CE2 3.78Å; I331-F348 HydrophobicContact CG2-CZ 4.47Å; I334-F348 HydrophobicContact CG1-CD2 4.34Å; I334-F348 HydrophobicContact CG2-CB 4.33Å; D336-F348 WeakPolarHBondContact O-CA 3.21Å; F337-F348 HydrophobicContact CB-CB 3.75Å; I346-F348 HydrophobicContact CG2-CD1 4.19Å; F348-V350 HydrophobicContact CD2-CG2 4.12Å; F348-V350 HydrophobicContact CE2-CG2 4.19Å; F348-T361 HydrophobicContact CE1-CG2 3.7Å; F348-T361 HydrophobicContact CE2-CG2 4.26Å; F348-T361 VanDerWaalsContact CZ-CB 3.45Å; F348-T361 HydrophobicContact CZ-CG2 3.48Å; F348-T361 VanDerWaalsContact CZ-CG2 3.48Å; F348-T361 PolarHBondContact N-O 2.84Å; F348-T361 PolarHBondContact O-N 3.46Å; F348-M363 HydrophobicContact CE1-CB 4.06Å; F348-M363 HydrophobicContact CE1-CE 3.96Å; F348-M363 HydrophobicContact CZ-CE 4.24Å |
| 349 | W | 93.1 | Very high | 90.5 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.8 | 175.9 | 78.4 | -84.2 | 0 | 0 | 0 | 111.3 | K335 D336 P351 R359 V360 C382 | K335-W349 HydrophobicContact CB-CD2 4.06Å; K335-W349 VanDerWaalsContact CB-CE2 3.46Å; K335-W349 HydrophobicContact CB-CE3 4.43Å; K335-W349 HydrophobicContact CB-CH2 3.81Å; K335-W349 HydrophobicContact CB-CZ2 3.34Å; K335-W349 HydrophobicContact CB-CZ3 4.34Å; K335-W349 HydrophobicContact CG-CH2 3.87Å; K335-W349 HydrophobicContact CG-CZ2 3.91Å; K335-W349 HydrophobicContact CG-CZ3 4.33Å; K335-W349 PolarHBondContact N-O 2.92Å; D336-W349 PolarHBondContact O-N 2.5Å; D336-W349 VanDerWaalsContact O-N 3.16Å; W349-P351 HydrophobicContact CE3-CB 4.45Å; W349-P351 HydrophobicContact CH2-CB 4.33Å; W349-P351 HydrophobicContact CZ3-CB 3.69Å; W349-P351 HydrophobicContact CZ3-CG 4.46Å; W349-R359 WeakPolarHBondContact CA-O 3.32Å; W349-V360 HydrophobicContact CB-CG2 4.03Å; W349-C382 HydrophobicContact CD2-CB 3.47Å; W349-C382 VanDerWaalsContact CD2-CB 3.47Å; W349-C382 HydrophobicContact CE3-CB 3.7Å; W349-C382 HydrophobicContact CG-CB 3.85Å; W349-C382 HydrophobicContact CH2-CB 4.16Å; W349-C382 HydrophobicContact CZ2-CB 3.97Å; W349-C382 HydrophobicContact CZ3-CB 4.02Å; W349-C382 PolarHBondContact NE1-O 2.86Å |
| 350 | V | 92.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.2 | 178.6 | -176.2 | 0 | 0 | 0 | 0 | 106.9 | I331 N332 I334 F348 A358 R359 | I331-V350 HydrophobicContact CG2-CG2 3.93Å; N332-V350 WeakPolarHBondContact O-CG1 3.45Å; I334-V350 HydrophobicContact CG1-CG2 4.36Å; F348-V350 HydrophobicContact CD2-CG2 4.12Å; F348-V350 HydrophobicContact CE2-CG2 4.19Å; V350-A358 CarbonylContact O-C 3.47Å; V350-A358 VanDerWaalsContact O-CA 3.24Å; V350-A358 WeakPolarHBondContact O-CA 3.35Å; V350-R359 HydrophobicContact CB-CG 4.24Å; V350-R359 PolarHBondContact N-O 3.11Å; V350-R359 PolarHBondContact O-N 2.81Å |
| 351 | P | 90.9 | Very high | 90.4 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | trans | -69.6 | 172.5 | 175.9 | 32.9 | -34.2 | 0 | 0 | 0 | 110.8 | G333 K335 W349 D353 | G333-P351 WeakPolarHBondContact O-CD 3.49Å; K335-P351 HydrophobicContact CG-CB 4.37Å; K335-P351 HydrophobicContact CG-CG 3.67Å; W349-P351 HydrophobicContact CE3-CB 4.45Å; W349-P351 HydrophobicContact CH2-CB 4.33Å; W349-P351 HydrophobicContact CZ3-CB 3.69Å; W349-P351 HydrophobicContact CZ3-CG 4.46Å; P351-D353 PolarHBondContact O-N 3.32Å | ||
| 352 | E | 88.3 | Confident | 90.7 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | trans | -63.1 | 130.8 | 173.7 | -77.2 | 165 | -143.7 | 0 | 0 | 110.9 | A358 F377 N378 V379 | E352-A358 HydrophobicContact CG-CB 3.8Å; E352-F377 WeakPolarHBondContact OE1-CA 3.36Å; E352-N378 WeakPolarHBondContact OE1-CA 3.38Å; E352-N378 PolarHBondContact OE1-N 2.96Å; E352-N378 PolarHBondContact OE2-N 2.89Å; E352-V379 PolarHBondContact OE1-N 3.06Å | ||
| 353 | D | 85.1 | Confident | 91 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 48% | 0.481 | 21% | 0.211 | S | C | . | . | B | Isolated β-bridge | trans | -131.9 | 108.9 | 172.2 | -178 | 28.7 | 0 | 0 | 0 | 109.5 | P351 D355 I356 | P351-D353 PolarHBondContact O-N 3.32Å; D353-D355 PolarHBondContact O-N 3.07Å; D353-I356 PolarHBondContact N-O 2.88Å; D353-I356 VanDerWaalsContact N-O 3.09Å; D353-I356 PolarHBondContact O-N 2.87Å |
| 354 | K | 84.9 | Confident | 91.1 | Very high | 192 Ų | 192 | 44.3 Ų | 44.3 | 84% | 0.835 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | -102.5 | -179.2 | -60.4 | 171.7 | -173.9 | 173.6 | 0 | 112.4 | ||
| 355 | D | 82.1 | Confident | 91 | Very high | 163 Ų | 163 | 43 Ų | 43 | 87% | 0.872 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -8.1 | -176.6 | -57.3 | -47.9 | 0 | 0 | 0 | 112.9 | D353 | D353-D355 PolarHBondContact O-N 3.07Š|
| 356 | I | 85.9 | Confident | 90.6 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -93.6 | 118.7 | -179 | -56.8 | 176 | 0 | 0 | 0 | 108.7 | D353 | D353-I356 PolarHBondContact N-O 2.88Å; D353-I356 VanDerWaalsContact N-O 3.09Å; D353-I356 PolarHBondContact O-N 2.87Å |
| 357 | P | 90 | Very high | 90.2 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 21% | 0.214 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 157.9 | 176.7 | 28.7 | -34.5 | 0 | 0 | 0 | 111.3 | R359 N375 L376 F377 | P357-R359 PolarHBondContact O-N 2.98Å; P357-N375 HydrophobicContact CG-CB 4.29Å; P357-L376 WeakPolarHBondContact CB-O 3.43Å; P357-F377 HydrophobicContact CB-CD1 3.85Å; P357-F377 HydrophobicContact CB-CE1 3.53Å; P357-F377 HydrophobicContact CB-CZ 4.06Å; P357-F377 HydrophobicContact CG-CE1 4.16Å; P357-F377 HydrophobicContact CG-CZ 4.39Å |
| 358 | A | 91.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 140.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | V350 E352 N375 L376 V379 | V350-A358 CarbonylContact O-C 3.47Å; V350-A358 VanDerWaalsContact O-CA 3.24Å; V350-A358 WeakPolarHBondContact O-CA 3.35Å; E352-A358 HydrophobicContact CG-CB 3.8Å; A358-N375 CarbonylContact O-C 3.59Å; A358-N375 WeakPolarHBondContact O-CA 3.4Å; A358-L376 HydrophobicContact CB-CB 4.24Å; A358-L376 PolarHBondContact N-O 3.06Å; A358-L376 PolarHBondContact O-N 2.65Å; A358-V379 HydrophobicContact CB-CB 4.05Å; A358-V379 HydrophobicContact CB-CG2 3.97Å |
| 359 | R | 92.3 | Very high | 89.5 | Confident | 79 Ų | 79 | 57.9 Ų | 57.9 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 139.9 | 177.9 | 63.5 | -179.2 | 176.9 | 173.4 | 1.1 | 111.7 | W349 V350 P357 V373 R374 N375 | W349-R359 WeakPolarHBondContact CA-O 3.32Å; V350-R359 HydrophobicContact CB-CG 4.24Å; V350-R359 PolarHBondContact N-O 3.11Å; V350-R359 PolarHBondContact O-N 2.81Å; P357-R359 PolarHBondContact O-N 2.98Å; R359-V373 HydrophobicContact CB-CG1 4.15Å; R359-R374 CarbonylContact C-O 3.26Å; R359-R374 VanDerWaalsContact CA-O 3.28Å; R359-R374 WeakPolarHBondContact CA-O 3.46Å; R359-N375 WeakPolarHBondContact CB-OD1 3.43Å |
| 360 | V | 94.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.6 | 167.3 | -176.5 | 0 | 0 | 0 | 0 | 107.5 | W349 V373 R374 L376 L384 V395 | W349-V360 HydrophobicContact CB-CG2 4.03Å; V360-V373 WeakPolarHBondContact O-CA 3.46Å; V360-R374 PolarHBondContact N-O 2.81Å; V360-R374 PolarHBondContact O-N 2.96Å; V360-L376 HydrophobicContact CG2-CD1 3.81Å; V360-L384 HydrophobicContact CG1-CD2 4.17Å; V360-V395 HydrophobicContact CG1-CG2 4.11Å; V360-V395 HydrophobicContact CG2-CG1 4.07Å |
| 361 | T | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.1 | -176.5 | -63.3 | 0 | 0 | 0 | 0 | 110.1 | A347 F348 E370 V373 | A347-T361 WeakPolarHBondContact CA-O 3.42Å; F348-T361 HydrophobicContact CE1-CG2 3.7Å; F348-T361 HydrophobicContact CE2-CG2 4.26Å; F348-T361 VanDerWaalsContact CZ-CB 3.45Å; F348-T361 HydrophobicContact CZ-CG2 3.48Å; F348-T361 VanDerWaalsContact CZ-CG2 3.48Å; F348-T361 PolarHBondContact N-O 2.84Å; F348-T361 PolarHBondContact O-N 3.46Å; T361-E370 HydrophobicContact CG2-CB 3.99Å; T361-E370 HydrophobicContact CG2-CG 3.64Å; T361-V373 HydrophobicContact CG2-CG2 4.1Å |
| 362 | L | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 114.4 | 169.1 | -68 | 173.8 | 0 | 0 | 0 | 108.8 | I345 A347 E370 I371 R372 W386 L393 F414 M416 V421 | I345-L362 HydrophobicContact CG2-CB 4.38Å; I345-L362 HydrophobicContact CG2-CD2 4.24Å; A347-L362 HydrophobicContact CB-CD2 3.72Å; L362-E370 CarbonylContact O-C 3.58Å; L362-E370 WeakPolarHBondContact O-CA 3.33Å; L362-I371 PolarHBondContact O-N 3.38Å; L362-R372 HydrophobicContact CB-CB 4.31Å; L362-R372 HydrophobicContact CD1-CB 4.12Å; L362-R372 PolarHBondContact N-O 3.28Å; L362-W386 HydrophobicContact CD2-CH2 3.8Å; L362-W386 HydrophobicContact CD2-CZ2 4.02Å; L362-L393 HydrophobicContact CD2-CD2 3.72Å; L362-F414 HydrophobicContact CD1-CB 4.47Å; L362-F414 HydrophobicContact CD1-CD1 3.85Å; L362-F414 HydrophobicContact CD1-CE1 4.47Å; L362-F414 HydrophobicContact CD1-CG 4.35Å; L362-M416 HydrophobicContact CD1-CE 4Å; L362-M416 HydrophobicContact CD1-SD 3.61Å; L362-V421 HydrophobicContact CD1-CG1 4.19Å |
| 363 | M | 93.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130 | -178.8 | -179.2 | 179.9 | -72.9 | 0 | 0 | 110.9 | L329 I331 I345 I346 F348 Q369 E370 | L329-M363 HydrophobicContact CD1-CE 4.13Å; L329-M363 HydrophobicContact CD1-SD 3.49Å; L329-M363 WeakPolarHBondContact CD1-SD 3.42Å; I331-M363 HydrophobicContact CD1-CE 4.48Å; I345-M363 CarbonylContact C-O 3.51Å; I345-M363 WeakPolarHBondContact CA-O 3.36Å; I345-M363 WeakPolarHBondContact CG2-O 3.34Å; I346-M363 PolarHBondContact N-O 3.13Å; I346-M363 PolarHBondContact O-N 3.17Å; F348-M363 HydrophobicContact CE1-CB 4.06Å; F348-M363 HydrophobicContact CE1-CE 3.96Å; F348-M363 HydrophobicContact CZ-CE 4.24Å; M363-Q369 WeakPolarHBondContact CA-O 3.48Å; M363-E370 HydrophobicContact CE-CG 4.11Å |
| 364 | Q | 92.1 | Very high | 89.9 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 41% | 0.407 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 140.6 | 175.9 | -161.9 | 175.6 | 13.1 | 0 | 0 | 111.5 | I345 R368 Q369 I371 | I345-Q364 HydrophobicContact CG1-CG 4.48Å; Q364-R368 VanDerWaalsContact O-CA 3.25Å; Q364-R368 WeakPolarHBondContact O-CA 3.45Å; Q364-R368 PolarHBondContact O-N 2.82Å; Q364-Q369 PolarHBondContact N-O 3.01Å; Q364-I371 HydrophobicContact CB-CD1 3.7Å; Q364-I371 HydrophobicContact CB-CG1 3.93Å; Q364-I371 HydrophobicContact CG-CD1 4.24Å |
| 365 | L | 88.8 | Confident | 90.3 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 143.3 | 168.2 | -78.9 | 104.4 | 0 | 0 | 0 | 111.6 | I315 L324 W339 N344 I346 | I315-L365 HydrophobicContact CD1-CD1 4.23Å; I315-L365 HydrophobicContact CD1-CD2 3.62Å; I315-L365 HydrophobicContact CD1-CG 4.43Å; I315-L365 HydrophobicContact CG2-CD2 3.77Å; L324-L365 HydrophobicContact CD2-CD2 3.7Å; W339-L365 HydrophobicContact CH2-CD1 3.94Å; W339-L365 HydrophobicContact CH2-CD2 4.24Å; W339-L365 HydrophobicContact CZ3-CD1 3.87Å; N344-L365 PolarHBondContact O-N 2.9Å; I346-L365 HydrophobicContact CB-CD1 4.3Å; I346-L365 HydrophobicContact CD1-CD1 3.4Å; I346-L365 VanDerWaalsContact CD1-CD1 3.4Å; I346-L365 HydrophobicContact CG1-CD1 3.54Å |
| 366 | P | 86 | Confident | 90.6 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.2 | -1.5 | 8.6 | 34.7 | -36.3 | 0 | 0 | 0 | 115.5 | F304 R368 | F304-P366 HydrophobicContact CZ-CB 4.3Å; P366-R368 PolarHBondContact O-N 2.72Å |
| 367 | S | 86.5 | Confident | 90.7 | Very high | 57 Ų | 57 | 53.7 Ų | 53.7 | 40% | 0.399 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.4 | -173.9 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | Q369 | S367-Q369 PolarHBondContact O-N 2.71Å; S367-Q369 VanDerWaalsContact O-N 3.13Å |
| 368 | R | 86.1 | Confident | 90.5 | Very high | 50 Ų | 50 | 55 Ų | 55 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 21.3 | -175 | -55 | 171.1 | -173.9 | -131.7 | -2.9 | 113.5 | L324 D325 K327 Q364 P366 | L324-R368 VanDerWaalsContact CG-NH2 3.28Å; L324-R368 PolarHBondContact O-NH2 2.91Å; D325-R368 VanDerWaalsContact CB-NH2 3.29Å; D325-R368 VanDerWaalsContact CG-NH2 3.34Å; D325-R368 IonicContact OD2-CZ 3.29Å; D325-R368 IonicContact OD2-NE 2.73Å; D325-R368 PolarHBondContact OD2-NE 3.29Å; D325-R368 IonicContact OD2-NH2 3.3Å; D325-R368 PolarHBondContact OD2-NH2 3.32Å; K327-R368 PolarHBondContact O-NH1 2.87Å; Q364-R368 VanDerWaalsContact O-CA 3.25Å; Q364-R368 WeakPolarHBondContact O-CA 3.45Å; Q364-R368 PolarHBondContact O-N 2.82Å; P366-R368 PolarHBondContact O-N 2.72Å |
| 369 | Q | 88.1 | Confident | 90.2 | Very high | 133 Ų | 133 | 55.8 Ų | 55.8 | 62% | 0.621 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 135.3 | 178.2 | -69.4 | -179.1 | -9.2 | 0 | 0 | 109.8 | M363 Q364 S367 I371 | M363-Q369 WeakPolarHBondContact CA-O 3.48Å; Q364-Q369 PolarHBondContact N-O 3.01Å; S367-Q369 PolarHBondContact O-N 2.71Å; S367-Q369 VanDerWaalsContact O-N 3.13Å; Q369-I371 PolarHBondContact O-N 3.04Å |
| 370 | E | 90.4 | Very high | 89.9 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 106.8 | 172 | -59.4 | -175.9 | 168.5 | 0 | 0 | 108.4 | T361 L362 M363 V373 | T361-E370 HydrophobicContact CG2-CB 3.99Å; T361-E370 HydrophobicContact CG2-CG 3.64Å; L362-E370 CarbonylContact O-C 3.58Å; L362-E370 WeakPolarHBondContact O-CA 3.33Å; M363-E370 HydrophobicContact CE-CG 4.11Å; E370-V373 HydrophobicContact CB-CG2 4.09Å; E370-V373 VanDerWaalsContact OE2-CG2 3.27Å; E370-V373 WeakPolarHBondContact OE2-CG2 3.48Å |
| 371 | I | 90.3 | Very high | 89.7 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -43 | 179.9 | -57.5 | 161.3 | 0 | 0 | 0 | 109.6 | I345 L362 Q364 Q369 V421 | I345-I371 HydrophobicContact CD1-CD1 3.84Å; I345-I371 HydrophobicContact CG1-CD1 4.16Å; I345-I371 HydrophobicContact CG2-CD1 4.43Å; L362-I371 PolarHBondContact O-N 3.38Å; Q364-I371 HydrophobicContact CB-CD1 3.7Å; Q364-I371 HydrophobicContact CB-CG1 3.93Å; Q364-I371 HydrophobicContact CG-CD1 4.24Å; Q369-I371 PolarHBondContact O-N 3.04Å; I371-V421 HydrophobicContact CG2-CG2 4.12Å |
| 372 | R | 91.9 | Very high | 89.5 | Confident | 93 Ų | 93 | 58.8 Ų | 58.8 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 133.3 | -176 | -168.1 | 66.8 | 179.9 | 137.6 | -0.3 | 110.2 | L362 F414 V421 | L362-R372 HydrophobicContact CB-CB 4.31Å; L362-R372 HydrophobicContact CD1-CB 4.12Å; L362-R372 PolarHBondContact N-O 3.28Å; R372-F414 HydrophobicContact CG-CD1 4.4Å; R372-F414 HydrophobicContact CG-CE1 4.25Å; R372-V421 HydrophobicContact CB-CB 4.49Å; R372-V421 HydrophobicContact CG-CB 4.45Å |
| 373 | V | 92.9 | Very high | 89.4 | Confident | 44 Ų | 44 | 63 Ų | 63 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.4 | 171.9 | -176.1 | 0 | 0 | 0 | 0 | 108 | R359 V360 T361 E370 | R359-V373 HydrophobicContact CB-CG1 4.15Å; V360-V373 WeakPolarHBondContact O-CA 3.46Å; T361-V373 HydrophobicContact CG2-CG2 4.1Å; E370-V373 HydrophobicContact CB-CG2 4.09Å; E370-V373 VanDerWaalsContact OE2-CG2 3.27Å; E370-V373 WeakPolarHBondContact OE2-CG2 3.48Å |
| 374 | R | 92.6 | Very high | 89.4 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 27% | 0.272 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 113.5 | 178.2 | 179.4 | 61.4 | 168.9 | -168.4 | -0.4 | 108.9 | R359 V360 L376 E412 F414 | R359-R374 CarbonylContact C-O 3.26Å; R359-R374 VanDerWaalsContact CA-O 3.28Å; R359-R374 WeakPolarHBondContact CA-O 3.46Å; V360-R374 PolarHBondContact N-O 2.81Å; V360-R374 PolarHBondContact O-N 2.96Å; R374-L376 HydrophobicContact CG-CD2 4.15Å; R374-E412 WeakPolarHBondContact CG-OE2 3Å; R374-E412 IonicContact CZ-OE1 2.95Å; R374-E412 IonicContact CZ-OE2 3.02Å; R374-E412 IonicContact NE-OE1 2.71Å; R374-E412 IonicContact NE-OE2 2.88Å; R374-E412 PolarHBondContact NE-OE2 2.93Å; R374-E412 IonicContact NH2-OE1 2.8Å; R374-E412 PolarHBondContact NH2-OE1 3.03Å; R374-E412 IonicContact NH2-OE2 3.78Å; R374-F414 HydrophobicContact CB-CE1 3.99Å; R374-F414 HydrophobicContact CB-CZ 3.76Å; R374-F414 HydrophobicContact CG-CZ 4Å |
| 375 | N | 92.3 | Very high | 89.5 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 137.1 | 177.3 | -61.1 | -24.2 | 0 | 0 | 0 | 110.1 | P357 A358 R359 | P357-N375 HydrophobicContact CG-CB 4.29Å; A358-N375 CarbonylContact O-C 3.59Å; A358-N375 WeakPolarHBondContact O-CA 3.4Å; R359-N375 WeakPolarHBondContact CB-OD1 3.43Å |
| 376 | L | 88.8 | Confident | 89.8 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 152.9 | -176.6 | -55.2 | 171.5 | 0 | 0 | 0 | 108.6 | P357 A358 V360 R374 V379 V397 R399 E412 | P357-L376 WeakPolarHBondContact CB-O 3.43Å; A358-L376 HydrophobicContact CB-CB 4.24Å; A358-L376 PolarHBondContact N-O 3.06Å; A358-L376 PolarHBondContact O-N 2.65Å; V360-L376 HydrophobicContact CG2-CD1 3.81Å; R374-L376 HydrophobicContact CG-CD2 4.15Å; L376-V379 HydrophobicContact CB-CG2 3.39Å; L376-V379 HydrophobicContact CD1-CG2 4.21Å; L376-V379 HydrophobicContact CG-CG2 4.42Å; L376-V397 HydrophobicContact CD1-CG1 4.06Å; L376-V397 HydrophobicContact CD1-CG2 3.78Å; L376-R399 VanDerWaalsContact CD2-NH2 3.3Å; L376-E412 VanDerWaalsContact CD2-CD 3.48Å; L376-E412 WeakPolarHBondContact CD2-OE1 3.39Å; L376-E412 WeakPolarHBondContact CD2-OE2 3.22Å |
| 377 | F | 87.1 | Confident | 90.2 | Very high | 129 Ų | 129 | 59.5 Ų | 59.5 | 57% | 0.566 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -132.6 | 145.7 | -177 | -60.7 | -87.3 | 0 | 0 | 0 | 111.1 | E352 P357 V379 | E352-F377 WeakPolarHBondContact OE1-CA 3.36Å; P357-F377 HydrophobicContact CB-CD1 3.85Å; P357-F377 HydrophobicContact CB-CE1 3.53Å; P357-F377 HydrophobicContact CB-CZ 4.06Å; P357-F377 HydrophobicContact CG-CE1 4.16Å; P357-F377 HydrophobicContact CG-CZ 4.39Å; F377-V379 VanDerWaalsContact C-N 3.31Å |
| 378 | N | 85.6 | Confident | 90.3 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 51.2 | 45.6 | -172.8 | -44.6 | -55.4 | 0 | 0 | 0 | 112.9 | E352 R399 T400 K402 | E352-N378 WeakPolarHBondContact OE1-CA 3.38Å; E352-N378 PolarHBondContact OE1-N 2.96Å; E352-N378 PolarHBondContact OE2-N 2.89Å; N378-R399 WeakPolarHBondContact O-CA 3.31Å; N378-T400 PolarHBondContact O-N 3.26Å; N378-K402 VanDerWaalsContact OD1-CE 3.25Å; N378-K402 WeakPolarHBondContact OD1-CE 3.37Å |
| 379 | V | 86.2 | Confident | 90.4 | Very high | 19 Ų | 19 | 64 Ų | 64 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.4 | 179 | -179.8 | 0 | 0 | 0 | 0 | 111 | E352 A358 L376 F377 C382 V397 | E352-V379 PolarHBondContact OE1-N 3.06Å; A358-V379 HydrophobicContact CB-CB 4.05Å; A358-V379 HydrophobicContact CB-CG2 3.97Å; L376-V379 HydrophobicContact CB-CG2 3.39Å; L376-V379 HydrophobicContact CD1-CG2 4.21Å; L376-V379 HydrophobicContact CG-CG2 4.42Å; F377-V379 VanDerWaalsContact C-N 3.31Å; V379-C382 VanDerWaalsContact CG1-SG 3.52Å; V379-V397 HydrophobicContact CB-CG1 4.38Å; V379-V397 HydrophobicContact CG1-CG1 3.87Å; V379-V397 HydrophobicContact CG2-CG1 3.71Å |
| 380 | V | 86.9 | Confident | 90.6 | Very high | 94 Ų | 94 | 57.6 Ų | 57.6 | 57% | 0.57 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -50.9 | 174.4 | -180 | 0 | 0 | 0 | 0 | 110.9 | D398 T400 | V380-D398 PolarHBondContact N-O 3.15Å; V380-T400 VanDerWaalsContact CG2-OG1 3.27Å; V380-T400 WeakPolarHBondContact CG2-OG1 3.48Å |
| 381 | D | 88.5 | Confident | 90.6 | Very high | 48 Ų | 48 | 55.1 Ų | 55.1 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 151.4 | -179.5 | -166.1 | 10.9 | 0 | 0 | 0 | 110.4 | K383 D398 | D381-K383 VanDerWaalsContact CG-NZ 3.26Å; D381-K383 IonicContact OD1-NZ 3.79Å; D381-K383 PolarHBondContact OD1-NZ 3.44Å; D381-K383 VanDerWaalsContact OD2-CE 3.22Å; D381-K383 WeakPolarHBondContact OD2-CE 3.31Å; D381-K383 IonicContact OD2-NZ 2.9Å; D381-K383 PolarHBondContact OD2-NZ 3.21Å; D381-D398 PolarHBondContact O-N 2.92Å |
| 382 | C | 90.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 125.8 | 178.5 | -88.3 | 0 | 0 | 0 | 0 | 109.4 | W349 V379 K396 | W349-C382 HydrophobicContact CD2-CB 3.47Å; W349-C382 VanDerWaalsContact CD2-CB 3.47Å; W349-C382 HydrophobicContact CE3-CB 3.7Å; W349-C382 HydrophobicContact CG-CB 3.85Å; W349-C382 HydrophobicContact CH2-CB 4.16Å; W349-C382 HydrophobicContact CZ2-CB 3.97Å; W349-C382 HydrophobicContact CZ3-CB 4.02Å; W349-C382 PolarHBondContact NE1-O 2.86Å; V379-C382 VanDerWaalsContact CG1-SG 3.52Å; C382-K396 CarbonylContact C-O 3.54Å; C382-K396 VanDerWaalsContact CA-O 3.28Å; C382-K396 WeakPolarHBondContact CA-O 3.31Å |
| 383 | K | 92.3 | Very high | 90.9 | Very high | 90 Ų | 90 | 48.4 Ų | 48.4 | 39% | 0.391 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.2 | 170.7 | -57.5 | -60.4 | -177 | -131.6 | 0 | 110.7 | D381 V395 K396 | D381-K383 VanDerWaalsContact CG-NZ 3.26Å; D381-K383 IonicContact OD1-NZ 3.79Å; D381-K383 PolarHBondContact OD1-NZ 3.44Å; D381-K383 VanDerWaalsContact OD2-CE 3.22Å; D381-K383 WeakPolarHBondContact OD2-CE 3.31Å; D381-K383 IonicContact OD2-NZ 2.9Å; D381-K383 PolarHBondContact OD2-NZ 3.21Å; K383-V395 WeakPolarHBondContact O-CA 3.33Å; K383-K396 HydrophobicContact CB-CB 4.24Å; K383-K396 PolarHBondContact N-O 2.94Å; K383-K396 PolarHBondContact O-N 3.36Å |
| 384 | L | 93.8 | Very high | 91 | Very high | 18 Ų | 18 | 46.3 Ų | 46.3 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 113.2 | -178.3 | -57.6 | 175.6 | 0 | 0 | 0 | 109.6 | A347 V360 L393 V395 | A347-L384 HydrophobicContact CB-CD1 3.99Å; V360-L384 HydrophobicContact CG1-CD2 4.17Å; L384-L393 HydrophobicContact CB-CD1 4.23Å; L384-V395 HydrophobicContact CD2-CG1 4.16Å; L384-V395 HydrophobicContact CD2-CG2 3.81Å |
| 385 | H | 94.6 | Very high | 91.1 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 100.3 | 179.2 | -64 | -76.9 | 0 | 0 | 0 | 110.9 | C394 F435 W437 | H385-C394 HydrophobicContact CB-CB 4.25Å; H385-C394 PolarHBondContact N-O 2.86Å; H385-C394 PolarHBondContact O-N 2.88Å; H385-F435 HydrophobicContact CB-CD1 3.69Å; H385-F435 HydrophobicContact CB-CE1 3.66Å; H385-F435 AromaticContact CD2-CD1 3.82Å; H385-F435 AromaticContact CG-CD1 3.6Å; H385-W437 PolarHBondContact O-NE1 2.95Å |
| 386 | W | 94.7 | Very high | 91.1 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 139.4 | 173.1 | -72.7 | 106.6 | 0 | 0 | 0 | 111.7 | S338 W339 P341 A347 L362 L393 M416 | S338-W386 PolarHBondContact O-NE1 3.05Å; S338-W386 VanDerWaalsContact OG-CD1 3.3Å; W339-W386 PolarHBondContact O-NE1 2.86Å; P341-W386 HydrophobicContact CG-CB 4.2Å; A347-W386 HydrophobicContact CB-CZ2 3.5Å; L362-W386 HydrophobicContact CD2-CH2 3.8Å; L362-W386 HydrophobicContact CD2-CZ2 4.02Å; W386-L393 HydrophobicContact CD2-CB 4.18Å; W386-L393 HydrophobicContact CD2-CD1 3.78Å; W386-L393 HydrophobicContact CD2-CG 4.47Å; W386-L393 HydrophobicContact CE3-CB 3.73Å; W386-L393 HydrophobicContact CE3-CD1 4.23Å; W386-L393 HydrophobicContact CE3-CG 4.48Å; W386-L393 HydrophobicContact CG-CD1 4.05Å; W386-L393 HydrophobicContact CH2-CB 4.06Å; W386-L393 HydrophobicContact CH2-CD2 4.14Å; W386-L393 HydrophobicContact CZ2-CD1 4.34Å; W386-L393 HydrophobicContact CZ2-CD2 4.06Å; W386-L393 HydrophobicContact CZ3-CB 3.66Å; W386-M416 HydrophobicContact CH2-CE 4.37Å; W386-M416 HydrophobicContact CH2-SD 4.37Å; W386-M416 HydrophobicContact CZ3-CG 4Å; W386-M416 HydrophobicContact CZ3-SD 4.31Å |
| 387 | Q | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -74.1 | 147.1 | 164.8 | -173.8 | -134 | 17.2 | 0 | 0 | 109.3 | P341 N389 G390 D391 Y392 W437 G441 | P341-Q387 WeakPolarHBondContact CG-O 3.14Å; Q387-N389 PolarHBondContact O-N 3.4Å; Q387-N389 VanDerWaalsContact O-N 3.09Å; Q387-G390 PolarHBondContact O-N 2.85Å; Q387-D391 PolarHBondContact OE1-OD2 3.19Å; Q387-Y392 HydrophobicContact CB-CD2 4.49Å; Q387-Y392 WeakPolarHBondContact CB-O 3.22Å; Q387-Y392 HydrophobicContact CG-CD2 4.26Å; Q387-Y392 PolarHBondContact N-O 3.06Å; Q387-W437 HydrophobicContact CB-CB 4.49Å; Q387-W437 HydrophobicContact CB-CD2 4.09Å; Q387-W437 HydrophobicContact CB-CG 4.02Å; Q387-W437 HydrophobicContact CG-CB 4.41Å; Q387-W437 HydrophobicContact CG-CD2 4.34Å; Q387-W437 HydrophobicContact CG-CE3 4.42Å; Q387-W437 HydrophobicContact CG-CG 4.34Å; Q387-G441 PolarHBondContact NE2-O 3.17Å | ||
| 388 | R | 89.4 | Confident | 91.5 | Very high | 139 Ų | 139 | 35 Ų | 35 | 53% | 0.525 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32.3 | -171.1 | -168.4 | 174.7 | -173.6 | 175.1 | 3.3 | 115.2 | P341 P485 | P341-R388 WeakPolarHBondContact CB-O 3.44Å; P341-R388 VanDerWaalsContact CG-O 3.31Å; P341-R388 WeakPolarHBondContact CG-O 3.25Å; R388-P485 PolarHBondContact NH1-O 2.93Å |
| 389 | N | 88.6 | Confident | 91.6 | Very high | 62 Ų | 62 | 35.1 Ų | 35.1 | 33% | 0.332 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -8.4 | 178.1 | -68.9 | -5.6 | 0 | 0 | 0 | 113.5 | Q387 D391 R417 N440 | Q387-N389 PolarHBondContact O-N 3.4Å; Q387-N389 VanDerWaalsContact O-N 3.09Å; N389-D391 VanDerWaalsContact C-N 3.34Å; N389-D391 WeakPolarHBondContact CB-OD2 3.11Å; N389-R417 PolarHBondContact O-NH2 2.83Å; N389-N440 PolarHBondContact OD1-OD1 3.44Å |
| 390 | G | 91.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 77.4 | 12.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q387 M416 | Q387-G390 PolarHBondContact O-N 2.85Å; G390-M416 WeakPolarHBondContact O-CB 3.18Å; G390-M416 WeakPolarHBondContact O-CG 3.37Å |
| 391 | D | 91.2 | Very high | 91 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 19% | 0.193 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -75.7 | -30.7 | -178.5 | -49.9 | -42.1 | 0 | 0 | 0 | 111.9 | Q387 N389 M416 R417 | Q387-D391 PolarHBondContact OE1-OD2 3.19Å; N389-D391 VanDerWaalsContact C-N 3.34Å; N389-D391 WeakPolarHBondContact CB-OD2 3.11Å; D391-M416 WeakPolarHBondContact O-CB 3.32Å; D391-M416 PolarHBondContact O-N 3.32Å; D391-R417 HydrophobicContact CB-CG 3.98Å; D391-R417 IonicContact OD1-CZ 3.46Å; D391-R417 IonicContact OD1-NE 3.13Å; D391-R417 PolarHBondContact OD1-NE 2.91Å; D391-R417 IonicContact OD1-NH2 2.72Å; D391-R417 PolarHBondContact OD1-NH2 3.47Å |
| 392 | Y | 93.1 | Very high | 90.3 | Very high | 23 Ų | 23 | 40.9 Ų | 40.9 | 9% | 0.09 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.7 | 177.6 | -50.2 | -76.5 | 0 | 0 | 0 | 112.4 | Q387 I413 F414 R415 W437 S442 V461 | Q387-Y392 HydrophobicContact CB-CD2 4.49Å; Q387-Y392 WeakPolarHBondContact CB-O 3.22Å; Q387-Y392 HydrophobicContact CG-CD2 4.26Å; Q387-Y392 PolarHBondContact N-O 3.06Å; Y392-I413 HydrophobicContact CD1-CG2 4.41Å; Y392-F414 WeakPolarHBondContact CA-O 3.31Å; Y392-R415 HydrophobicContact CD1-CB 4.42Å; Y392-R415 HydrophobicContact CD1-CG 4.11Å; Y392-R415 HydrophobicContact CE1-CB 4.44Å; Y392-R415 HydrophobicContact CE1-CG 4.09Å; Y392-W437 HydrophobicContact CD2-CZ3 4.46Å; Y392-W437 HydrophobicContact CG-CH2 4.22Å; Y392-S442 WeakPolarHBondContact CE2-OG 3.3Å; Y392-S442 PolarHBondContact OH-OG 2.88Å; Y392-V461 HydrophobicContact CE1-CG1 4.03Å |
| 393 | L | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.1 | 164.7 | 168.8 | 66.6 | 0 | 0 | 0 | 108.3 | A347 L362 L384 W386 V395 I413 F414 | A347-L393 HydrophobicContact CB-CD2 3.8Å; L362-L393 HydrophobicContact CD2-CD2 3.72Å; L384-L393 HydrophobicContact CB-CD1 4.23Å; W386-L393 HydrophobicContact CD2-CB 4.18Å; W386-L393 HydrophobicContact CD2-CD1 3.78Å; W386-L393 HydrophobicContact CD2-CG 4.47Å; W386-L393 HydrophobicContact CE3-CB 3.73Å; W386-L393 HydrophobicContact CE3-CD1 4.23Å; W386-L393 HydrophobicContact CE3-CG 4.48Å; W386-L393 HydrophobicContact CG-CD1 4.05Å; W386-L393 HydrophobicContact CH2-CB 4.06Å; W386-L393 HydrophobicContact CH2-CD2 4.14Å; W386-L393 HydrophobicContact CZ2-CD1 4.34Å; W386-L393 HydrophobicContact CZ2-CD2 4.06Å; W386-L393 HydrophobicContact CZ3-CB 3.66Å; L393-V395 HydrophobicContact CD2-CG2 4.16Å; L393-V395 HydrophobicContact CG-CG2 4.11Å; L393-I413 CarbonylContact O-C 3.59Å; L393-I413 WeakPolarHBondContact O-CA 3.31Å; L393-F414 HydrophobicContact CB-CB 4.18Å; L393-F414 HydrophobicContact CD2-CD2 4.32Å; L393-F414 HydrophobicContact CG-CD2 4.36Å; L393-F414 PolarHBondContact N-O 2.83Å; L393-F414 VanDerWaalsContact N-O 3.07Å; L393-F414 PolarHBondContact O-N 3.44Å |
| 394 | C | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.6 | 168.1 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | H385 F411 I413 F435 W437 | H385-C394 HydrophobicContact CB-CB 4.25Å; H385-C394 PolarHBondContact N-O 2.86Å; H385-C394 PolarHBondContact O-N 2.88Å; C394-F411 WeakPolarHBondContact SG-CD1 3.38Å; C394-I413 HydrophobicContact CB-CG1 4.45Å; C394-F435 HydrophobicContact CB-CE1 3.76Å; C394-F435 HydrophobicContact CB-CE2 4.12Å; C394-F435 HydrophobicContact CB-CZ 3.44Å; C394-F435 VanDerWaalsContact CB-CZ 3.44Å; C394-F435 VanDerWaalsContact SG-CE2 3.52Å; C394-F435 VanDerWaalsContact SG-CZ 3.51Å; C394-W437 HydrophobicContact CB-CZ2 3.63Å |
| 395 | V | 94.6 | Very high | 87 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 113.3 | 169.5 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | V360 K383 L384 L393 V397 F411 E412 F414 | V360-V395 HydrophobicContact CG1-CG2 4.11Å; V360-V395 HydrophobicContact CG2-CG1 4.07Å; K383-V395 WeakPolarHBondContact O-CA 3.33Å; L384-V395 HydrophobicContact CD2-CG1 4.16Å; L384-V395 HydrophobicContact CD2-CG2 3.81Å; L393-V395 HydrophobicContact CD2-CG2 4.16Å; L393-V395 HydrophobicContact CG-CG2 4.11Å; V395-V397 HydrophobicContact CB-CG2 4.34Å; V395-V397 HydrophobicContact CG1-CG2 3.62Å; V395-V397 PolarHBondContact O-N 3.09Å; V395-F411 WeakPolarHBondContact O-CA 3.3Å; V395-E412 HydrophobicContact CB-CB 4.41Å; V395-E412 PolarHBondContact N-O 3.22Å; V395-E412 PolarHBondContact O-N 2.79Å; V395-F414 HydrophobicContact CB-CE2 4.26Å; V395-F414 HydrophobicContact CG2-CD2 3.93Å; V395-F414 HydrophobicContact CG2-CE2 3.43Å; V395-F414 VanDerWaalsContact CG2-CE2 3.43Å; V395-F414 HydrophobicContact CG2-CZ 4.4Å |
| 396 | K | 93.9 | Very high | 85.7 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 13% | 0.13 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 114.5 | 168.3 | -174.5 | -155.7 | -177.4 | -139.1 | 0 | 107.5 | C382 K383 D398 T409 F411 | C382-K396 CarbonylContact C-O 3.54Å; C382-K396 VanDerWaalsContact CA-O 3.28Å; C382-K396 WeakPolarHBondContact CA-O 3.31Å; K383-K396 HydrophobicContact CB-CB 4.24Å; K383-K396 PolarHBondContact N-O 2.94Å; K383-K396 PolarHBondContact O-N 3.36Å; K396-D398 WeakPolarHBondContact CE-OD1 3.45Å; K396-D398 IonicContact NZ-OD1 2.81Å; K396-D398 PolarHBondContact NZ-OD1 2.83Å; K396-D398 VanDerWaalsContact NZ-OD1 3.1Å; K396-D398 IonicContact NZ-OD2 2.71Å; K396-D398 PolarHBondContact NZ-OD2 3.16Å; K396-T409 HydrophobicContact CD-CG2 4.39Å; K396-T409 HydrophobicContact CG-CG2 3.68Å; K396-F411 HydrophobicContact CB-CD1 4.04Å; K396-F411 HydrophobicContact CB-CE1 3.83Å; K396-F411 HydrophobicContact CG-CD1 4.21Å; K396-F411 HydrophobicContact CG-CE1 3.73Å |
| 397 | V | 92.5 | Very high | 85 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 112.4 | -179.2 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | L376 V379 V395 R399 T409 N410 E412 | L376-V397 HydrophobicContact CD1-CG1 4.06Å; L376-V397 HydrophobicContact CD1-CG2 3.78Å; V379-V397 HydrophobicContact CB-CG1 4.38Å; V379-V397 HydrophobicContact CG1-CG1 3.87Å; V379-V397 HydrophobicContact CG2-CG1 3.71Å; V395-V397 HydrophobicContact CB-CG2 4.34Å; V395-V397 HydrophobicContact CG1-CG2 3.62Å; V395-V397 PolarHBondContact O-N 3.09Å; V397-R399 HydrophobicContact CG1-CG 3.79Å; V397-T409 WeakPolarHBondContact O-CA 3.41Å; V397-N410 HydrophobicContact CB-CB 4.46Å; V397-N410 PolarHBondContact N-O 2.87Å; V397-N410 PolarHBondContact O-N 3.5Å; V397-E412 HydrophobicContact CG2-CG 4.37Å |
| 398 | D | 90.3 | Very high | 84.7 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 116.5 | 174.6 | -64.4 | -17.8 | 0 | 0 | 0 | 107.9 | V380 D381 K396 V407 T409 | V380-D398 PolarHBondContact N-O 3.15Å; D381-D398 PolarHBondContact O-N 2.92Å; K396-D398 WeakPolarHBondContact CE-OD1 3.45Å; K396-D398 IonicContact NZ-OD1 2.81Å; K396-D398 PolarHBondContact NZ-OD1 2.83Å; K396-D398 VanDerWaalsContact NZ-OD1 3.1Å; K396-D398 IonicContact NZ-OD2 2.71Å; K396-D398 PolarHBondContact NZ-OD2 3.16Å; D398-V407 HydrophobicContact CB-CG1 3.94Å; D398-T409 VanDerWaalsContact OD1-CG2 3.28Å; D398-T409 WeakPolarHBondContact OD1-CG2 3.48Å; D398-T409 PolarHBondContact OD1-OG1 2.97Å |
| 399 | R | 87.6 | Confident | 84.7 | Confident | 62 Ų | 62 | 49.4 Ų | 49.4 | 23% | 0.234 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144.3 | -177.3 | -61.6 | -170.5 | -176.4 | 173.3 | 3.4 | 111 | L376 N378 V397 V407 V408 N410 E412 | L376-R399 VanDerWaalsContact CD2-NH2 3.3Å; N378-R399 WeakPolarHBondContact O-CA 3.31Å; V397-R399 HydrophobicContact CG1-CG 3.79Å; R399-V407 CarbonylContact O-C 3.56Å; R399-V407 WeakPolarHBondContact O-CA 3.21Å; R399-V408 PolarHBondContact N-O 3.23Å; R399-V408 PolarHBondContact O-N 3.43Å; R399-N410 VanDerWaalsContact CZ-ND2 3.33Å; R399-N410 PolarHBondContact NE-ND2 3.1Å; R399-N410 PolarHBondContact NH1-ND2 2.96Å; R399-E412 IonicContact NH2-OE1 3.15Å; R399-E412 PolarHBondContact NH2-OE1 2.91Å |
| 400 | T | 83.6 | Confident | 84.9 | Confident | 55 Ų | 55 | 47 Ų | 47 | 34% | 0.337 | 27% | 0.269 | S | S | . | . | trans | -110.7 | 104.8 | 168.8 | -55.1 | 0 | 0 | 0 | 0 | 108.6 | N378 V380 | N378-T400 PolarHBondContact O-N 3.26Å; V380-T400 VanDerWaalsContact CG2-OG1 3.27Å; V380-T400 WeakPolarHBondContact CG2-OG1 3.48Å | ||
| 401 | P | 78.1 | Confident | 84.9 | Confident | 47 Ų | 47 | 47 Ų | 47 | 31% | 0.305 | 27% | 0.269 | S | S | . | . | trans | -59.8 | 138.9 | 177.3 | -19.5 | 31.7 | 0 | 0 | 0 | 110.8 | G403 T404 G406 V408 | P401-G403 PolarHBondContact O-N 3.25Å; P401-T404 PolarHBondContact O-N 2.84Å; P401-G406 VanDerWaalsContact CD-O 3.25Å; P401-G406 WeakPolarHBondContact CD-O 3.39Å; P401-V408 HydrophobicContact CG-CG2 3.9Å | ||
| 402 | K | 73.8 | Confident | 85 | Confident | 179 Ų | 179 | 45.3 Ų | 45.3 | 78% | 0.778 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 114.6 | 174.7 | -68.6 | -173.7 | 178.1 | -178 | 0 | 109.3 | N378 | N378-K402 VanDerWaalsContact OD1-CE 3.25Å; N378-K402 WeakPolarHBondContact OD1-CE 3.37Å |
| 403 | G | 69.9 | Low | 85 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 90% | 0.897 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.5 | 6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | P401 | P401-G403 PolarHBondContact O-N 3.25Š|
| 404 | T | 69.1 | Low | 84.9 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 53% | 0.528 | 26% | 0.255 | S | S | . | . | trans | -126.4 | 135.2 | 173.3 | -45.1 | 0 | 0 | 0 | 0 | 110.1 | P401 G406 | P401-T404 PolarHBondContact O-N 2.84Å; T404-G406 PolarHBondContact O-N 3.13Å | ||
| 405 | Q | 67.1 | Low | 84.8 | Confident | 205 Ų | 205 | 44.3 Ų | 44.3 | 96% | 0.958 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -76.8 | 2.8 | 177.1 | -72 | -176.1 | -18.5 | 0 | 0 | 113.5 | ||
| 406 | G | 68.6 | Low | 84.5 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -97.7 | 133.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P401 T404 | P401-G406 VanDerWaalsContact CD-O 3.25Å; P401-G406 WeakPolarHBondContact CD-O 3.39Å; T404-G406 PolarHBondContact O-N 3.13Å |
| 407 | V | 79.7 | Confident | 84.3 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 123.1 | 169.2 | 180 | 0 | 0 | 0 | 0 | 108.2 | D398 R399 | D398-V407 HydrophobicContact CB-CG1 3.94Å; R399-V407 CarbonylContact O-C 3.56Å; R399-V407 WeakPolarHBondContact O-CA 3.21Å |
| 408 | V | 86.3 | Confident | 84 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 17% | 0.17 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.4 | 173.1 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | R399 P401 E427 | R399-V408 PolarHBondContact N-O 3.23Å; R399-V408 PolarHBondContact O-N 3.43Å; P401-V408 HydrophobicContact CG-CG2 3.9Å; V408-E427 HydrophobicContact CG1-CG 4Å |
| 409 | T | 90.3 | Very high | 83.8 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.8 | -178.6 | -54.4 | 0 | 0 | 0 | 0 | 110 | K396 V397 D398 M428 I432 | K396-T409 HydrophobicContact CD-CG2 4.39Å; K396-T409 HydrophobicContact CG-CG2 3.68Å; V397-T409 WeakPolarHBondContact O-CA 3.41Å; D398-T409 VanDerWaalsContact OD1-CG2 3.28Å; D398-T409 WeakPolarHBondContact OD1-CG2 3.48Å; D398-T409 PolarHBondContact OD1-OG1 2.97Å; T409-M428 PolarHBondContact N-O 2.95Å; T409-M428 VanDerWaalsContact N-O 3.1Å; T409-M428 PolarHBondContact O-N 3.07Å; T409-M428 VanDerWaalsContact O-O 3.05Å; T409-I432 HydrophobicContact CG2-CB 4.37Å; T409-I432 HydrophobicContact CG2-CD1 3.32Å; T409-I432 HydrophobicContact CG2-CG1 4.35Å |
| 410 | N | 91.5 | Very high | 83.6 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 6% | 0.064 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 133.1 | 175.2 | -68 | -12.2 | 0 | 0 | 0 | 109.8 | V397 R399 E427 | V397-N410 HydrophobicContact CB-CB 4.46Å; V397-N410 PolarHBondContact N-O 2.87Å; V397-N410 PolarHBondContact O-N 3.5Å; R399-N410 VanDerWaalsContact CZ-ND2 3.33Å; R399-N410 PolarHBondContact NE-ND2 3.1Å; R399-N410 PolarHBondContact NH1-ND2 2.96Å; N410-E427 WeakPolarHBondContact OD1-CG 3.35Å |
| 411 | F | 92.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118.8 | 166.1 | -66.5 | -64.1 | 0 | 0 | 0 | 109.6 | C394 V395 K396 V425 V426 M428 I432 F435 V446 | C394-F411 WeakPolarHBondContact SG-CD1 3.38Å; V395-F411 WeakPolarHBondContact O-CA 3.3Å; K396-F411 HydrophobicContact CB-CD1 4.04Å; K396-F411 HydrophobicContact CB-CE1 3.83Å; K396-F411 HydrophobicContact CG-CD1 4.21Å; K396-F411 HydrophobicContact CG-CE1 3.73Å; F411-V425 WeakPolarHBondContact O-CA 3.38Å; F411-V426 HydrophobicContact CB-CB 4.31Å; F411-V426 PolarHBondContact N-O 3.28Å; F411-V426 PolarHBondContact O-N 2.94Å; F411-M428 HydrophobicContact CD2-CE 3.83Å; F411-M428 HydrophobicContact CD2-CG 4.37Å; F411-M428 HydrophobicContact CD2-SD 4.4Å; F411-M428 HydrophobicContact CE2-CE 3.61Å; F411-M428 HydrophobicContact CE2-CG 4.32Å; F411-M428 HydrophobicContact CE2-SD 3.87Å; F411-I432 HydrophobicContact CD2-CD1 4.17Å; F411-I432 HydrophobicContact CE1-CD1 4.28Å; F411-I432 HydrophobicContact CE2-CD1 3.21Å; F411-I432 HydrophobicContact CE2-CG1 4.28Å; F411-I432 HydrophobicContact CZ-CD1 3.31Å; F411-I432 HydrophobicContact CZ-CG1 4.16Å; F411-I432 HydrophobicContact CZ-CG2 3.94Å; F411-F435 HydrophobicContact CD1-CD2 4.13Å; F411-F435 HydrophobicContact CD1-CE2 4.37Å; F411-F435 HydrophobicContact CE1-CB 4.29Å; F411-F435 AromaticContact CE1-CD2 3.51Å; F411-F435 HydrophobicContact CE1-CD2 3.51Å; F411-F435 HydrophobicContact CE1-CE2 4.19Å; F411-F435 HydrophobicContact CE1-CG 4.12Å; F411-F435 HydrophobicContact CE2-CD2 4.44Å; F411-F435 HydrophobicContact CZ-CB 4.43Å; F411-F435 AromaticContact CZ-CD2 3.66Å; F411-F435 HydrophobicContact CZ-CD2 3.66Å; F411-F435 HydrophobicContact CZ-CE2 4.46Å; F411-F435 HydrophobicContact CZ-CG 4.44Å; F411-V446 HydrophobicContact CE2-CG1 3.87Å; F411-V446 HydrophobicContact CE2-CG2 3.91Å; F411-V446 HydrophobicContact CZ-CG1 3.84Å; F411-V446 HydrophobicContact CZ-CG2 4.08Å |
| 412 | E | 92.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 110 | 171.4 | -56.8 | -157.7 | 170.6 | 0 | 0 | 108.9 | R374 L376 V395 V397 R399 F414 V423 D424 V425 | R374-E412 WeakPolarHBondContact CG-OE2 3Å; R374-E412 IonicContact CZ-OE1 2.95Å; R374-E412 IonicContact CZ-OE2 3.02Å; R374-E412 IonicContact NE-OE1 2.71Å; R374-E412 IonicContact NE-OE2 2.88Å; R374-E412 PolarHBondContact NE-OE2 2.93Å; R374-E412 IonicContact NH2-OE1 2.8Å; R374-E412 PolarHBondContact NH2-OE1 3.03Å; R374-E412 IonicContact NH2-OE2 3.78Å; L376-E412 VanDerWaalsContact CD2-CD 3.48Å; L376-E412 WeakPolarHBondContact CD2-OE1 3.39Å; L376-E412 WeakPolarHBondContact CD2-OE2 3.22Å; V395-E412 HydrophobicContact CB-CB 4.41Å; V395-E412 PolarHBondContact N-O 3.22Å; V395-E412 PolarHBondContact O-N 2.79Å; V397-E412 HydrophobicContact CG2-CG 4.37Å; R399-E412 IonicContact NH2-OE1 3.15Å; R399-E412 PolarHBondContact NH2-OE1 2.91Å; E412-F414 HydrophobicContact CB-CE2 4.06Å; E412-V423 HydrophobicContact CB-CG1 3.95Å; E412-D424 CarbonylContact C-O 3.6Å; E412-D424 WeakPolarHBondContact CA-O 3.25Å; E412-V425 HydrophobicContact CG-CG2 4.36Å |
| 413 | I | 93.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 113 | -177.3 | -51.5 | -165.7 | 0 | 0 | 0 | 109.2 | Y392 L393 C394 V423 D424 W437 F444 I467 | Y392-I413 HydrophobicContact CD1-CG2 4.41Å; L393-I413 CarbonylContact O-C 3.59Å; L393-I413 WeakPolarHBondContact O-CA 3.31Å; C394-I413 HydrophobicContact CB-CG1 4.45Å; I413-V423 WeakPolarHBondContact O-CA 3.43Å; I413-D424 PolarHBondContact N-O 2.95Å; I413-D424 PolarHBondContact O-N 3.08Å; I413-W437 HydrophobicContact CD1-CH2 4.01Å; I413-W437 HydrophobicContact CD1-CZ2 4.41Å; I413-W437 HydrophobicContact CG2-CH2 3.94Å; I413-W437 HydrophobicContact CG2-CZ2 4.14Å; I413-F444 HydrophobicContact CD1-CD1 4.31Å; I413-F444 HydrophobicContact CD1-CE1 3.49Å; I413-F444 VanDerWaalsContact CD1-CE1 3.49Å; I413-F444 HydrophobicContact CD1-CZ 3.68Å; I413-I467 HydrophobicContact CB-CD1 4.16Å; I413-I467 HydrophobicContact CD1-CD1 3.51Å; I413-I467 HydrophobicContact CG1-CD1 3.96Å |
| 414 | F | 93.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.5 | 176.2 | -63.3 | -106.9 | 0 | 0 | 0 | 109.5 | L362 R372 R374 Y392 L393 V395 E412 M416 V421 V423 | L362-F414 HydrophobicContact CD1-CB 4.47Å; L362-F414 HydrophobicContact CD1-CD1 3.85Å; L362-F414 HydrophobicContact CD1-CE1 4.47Å; L362-F414 HydrophobicContact CD1-CG 4.35Å; R372-F414 HydrophobicContact CG-CD1 4.4Å; R372-F414 HydrophobicContact CG-CE1 4.25Å; R374-F414 HydrophobicContact CB-CE1 3.99Å; R374-F414 HydrophobicContact CB-CZ 3.76Å; R374-F414 HydrophobicContact CG-CZ 4Å; Y392-F414 WeakPolarHBondContact CA-O 3.31Å; L393-F414 HydrophobicContact CB-CB 4.18Å; L393-F414 HydrophobicContact CD2-CD2 4.32Å; L393-F414 HydrophobicContact CG-CD2 4.36Å; L393-F414 PolarHBondContact N-O 2.83Å; L393-F414 VanDerWaalsContact N-O 3.07Å; L393-F414 PolarHBondContact O-N 3.44Å; V395-F414 HydrophobicContact CB-CE2 4.26Å; V395-F414 HydrophobicContact CG2-CD2 3.93Å; V395-F414 HydrophobicContact CG2-CE2 3.43Å; V395-F414 VanDerWaalsContact CG2-CE2 3.43Å; V395-F414 HydrophobicContact CG2-CZ 4.4Å; E412-F414 HydrophobicContact CB-CE2 4.06Å; F414-M416 HydrophobicContact CB-SD 4.5Å; F414-V421 HydrophobicContact CB-CG1 4.08Å; F414-V421 HydrophobicContact CD1-CG1 4.18Å; F414-V423 HydrophobicContact CD1-CG2 3.53Å; F414-V423 HydrophobicContact CE1-CG1 4.49Å; F414-V423 HydrophobicContact CE1-CG2 3.57Å; F414-V423 HydrophobicContact CE2-CG1 4.33Å; F414-V423 HydrophobicContact CG-CG2 4.15Å; F414-V423 HydrophobicContact CZ-CG1 4.32Å; F414-V423 HydrophobicContact CZ-CG2 4.2Å |
| 415 | R | 91.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 104.4 | 177.1 | -52.9 | -172.4 | 179.8 | -144.6 | -8.1 | 110.7 | Y392 R417 E418 V421 P422 D424 V461 K462 G465 | Y392-R415 HydrophobicContact CD1-CB 4.42Å; Y392-R415 HydrophobicContact CD1-CG 4.11Å; Y392-R415 HydrophobicContact CE1-CB 4.44Å; Y392-R415 HydrophobicContact CE1-CG 4.09Å; R415-R417 PolarHBondContact O-N 3.34Å; R415-E418 HydrophobicContact CB-CB 4.3Å; R415-E418 HydrophobicContact CB-CG 4.35Å; R415-E418 VanDerWaalsContact CD-CD 3.43Å; R415-E418 WeakPolarHBondContact CD-OE1 3.32Å; R415-E418 IonicContact CZ-OE1 2.61Å; R415-E418 IonicContact NE-OE1 3.61Å; R415-E418 IonicContact NH1-OE1 2.78Å; R415-E418 PolarHBondContact NH1-OE1 2.86Å; R415-V421 WeakPolarHBondContact O-CA 3.49Å; R415-P422 HydrophobicContact CB-CG 4.06Å; R415-P422 HydrophobicContact CG-CG 4.34Å; R415-P422 PolarHBondContact N-O 3.44Å; R415-D424 IonicContact CZ-OD2 2.82Å; R415-D424 IonicContact NE-OD2 2.72Å; R415-D424 PolarHBondContact NE-OD2 3.35Å; R415-D424 IonicContact NH2-OD2 3.5Å; R415-D424 PolarHBondContact NH2-OD2 3.04Å; R415-V461 VanDerWaalsContact NH2-CG1 3.26Å; R415-K462 PolarHBondContact NH1-O 2.86Å; R415-G465 VanDerWaalsContact NH1-CA 3.29Å; R415-G465 PolarHBondContact NH2-O 2.77Å |
| 416 | M | 89.5 | Confident | 88.2 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -27 | -171.4 | -59.8 | -56.6 | -65.8 | 0 | 0 | 113.5 | I345 L362 W386 G390 D391 F414 V421 | I345-M416 HydrophobicContact CD1-CE 3.47Å; I345-M416 VanDerWaalsContact CD1-CE 3.47Å; I345-M416 HydrophobicContact CG2-CE 4.27Å; L362-M416 HydrophobicContact CD1-CE 4Å; L362-M416 HydrophobicContact CD1-SD 3.61Å; W386-M416 HydrophobicContact CH2-CE 4.37Å; W386-M416 HydrophobicContact CH2-SD 4.37Å; W386-M416 HydrophobicContact CZ3-CG 4Å; W386-M416 HydrophobicContact CZ3-SD 4.31Å; G390-M416 WeakPolarHBondContact O-CB 3.18Å; G390-M416 WeakPolarHBondContact O-CG 3.37Å; D391-M416 WeakPolarHBondContact O-CB 3.32Å; D391-M416 PolarHBondContact O-N 3.32Å; F414-M416 HydrophobicContact CB-SD 4.5Å; M416-V421 HydrophobicContact SD-CG1 3.98Å |
| 417 | R | 88.5 | Confident | 89.1 | Confident | 141 Ų | 141 | 51.8 Ų | 51.8 | 53% | 0.532 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -13.5 | -177 | -58.2 | -59.7 | -176.3 | -159.6 | -5.5 | 114 | D343 N389 D391 R415 | D343-R417 IonicContact OD1-CZ 3.45Å; D343-R417 IonicContact OD1-NH1 2.76Å; D343-R417 PolarHBondContact OD1-NH1 2.91Å; D343-R417 IonicContact OD1-NH2 2.69Å; D343-R417 IonicContact OD2-CZ 3.1Å; D343-R417 IonicContact OD2-NH1 3.69Å; D343-R417 PolarHBondContact OD2-NH1 2.8Å; D343-R417 IonicContact OD2-NH2 2.91Å; N389-R417 PolarHBondContact O-NH2 2.83Å; D391-R417 HydrophobicContact CB-CG 3.98Å; D391-R417 IonicContact OD1-CZ 3.46Å; D391-R417 IonicContact OD1-NE 3.13Å; D391-R417 PolarHBondContact OD1-NE 2.91Å; D391-R417 IonicContact OD1-NH2 2.72Å; D391-R417 PolarHBondContact OD1-NH2 3.47Å; R415-R417 PolarHBondContact O-N 3.34Å |
| 418 | E | 86.8 | Confident | 89.4 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -91.5 | 148.1 | 179.3 | -68.2 | -178.6 | -155.8 | 0 | 0 | 111.1 | R415 Q420 V421 P422 | R415-E418 HydrophobicContact CB-CB 4.3Å; R415-E418 HydrophobicContact CB-CG 4.35Å; R415-E418 VanDerWaalsContact CD-CD 3.43Å; R415-E418 WeakPolarHBondContact CD-OE1 3.32Å; R415-E418 IonicContact CZ-OE1 2.61Å; R415-E418 IonicContact NE-OE1 3.61Å; R415-E418 IonicContact NH1-OE1 2.78Å; R415-E418 PolarHBondContact NH1-OE1 2.86Å; E418-Q420 PolarHBondContact O-N 3.04Å; E418-V421 PolarHBondContact O-N 3.37Å; E418-P422 HydrophobicContact CB-CG 3.85Å; E418-P422 WeakPolarHBondContact OE2-CG 3.19Å |
| 419 | K | 85.5 | Confident | 89.2 | Confident | 201 Ų | 201 | 56 Ų | 56 | 87% | 0.874 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 138.7 | 180 | -71.4 | -173.1 | 178.7 | -178.7 | 0 | 110.3 | V421 | K419-V421 PolarHBondContact O-N 3.34Š|
| 420 | Q | 83.9 | Confident | 89 | Confident | 186 Ų | 186 | 60 Ų | 60 | 87% | 0.869 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 7.5 | -178.5 | -55.3 | -176.7 | -14.5 | 0 | 0 | 116.1 | E418 | E418-Q420 PolarHBondContact O-N 3.04Š|
| 421 | V | 88.9 | Confident | 88.7 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | trans | 50.5 | 70.7 | 177.8 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | L362 I371 R372 F414 R415 M416 E418 K419 | L362-V421 HydrophobicContact CD1-CG1 4.19Å; I371-V421 HydrophobicContact CG2-CG2 4.12Å; R372-V421 HydrophobicContact CB-CB 4.49Å; R372-V421 HydrophobicContact CG-CB 4.45Å; F414-V421 HydrophobicContact CB-CG1 4.08Å; F414-V421 HydrophobicContact CD1-CG1 4.18Å; R415-V421 WeakPolarHBondContact O-CA 3.49Å; M416-V421 HydrophobicContact SD-CG1 3.98Å; E418-V421 PolarHBondContact O-N 3.37Å; K419-V421 PolarHBondContact O-N 3.34Å | ||
| 422 | P | 90.5 | Very high | 88.6 | Confident | 42 Ų | 42 | 63.2 Ų | 63.2 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | trans | -60.8 | 149.8 | 176.3 | 25.4 | -30.8 | 0 | 0 | 0 | 110.7 | R415 E418 | R415-P422 HydrophobicContact CB-CG 4.06Å; R415-P422 HydrophobicContact CG-CG 4.34Å; R415-P422 PolarHBondContact N-O 3.44Å; E418-P422 HydrophobicContact CB-CG 3.85Å; E418-P422 WeakPolarHBondContact OE2-CG 3.19Å | ||
| 423 | V | 90.4 | Very high | 88.4 | Confident | 29 Ų | 29 | 67.1 Ų | 67.1 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.2 | -177 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | E412 I413 F414 | E412-V423 HydrophobicContact CB-CG1 3.95Å; I413-V423 WeakPolarHBondContact O-CA 3.43Å; F414-V423 HydrophobicContact CD1-CG2 3.53Å; F414-V423 HydrophobicContact CE1-CG1 4.49Å; F414-V423 HydrophobicContact CE1-CG2 3.57Å; F414-V423 HydrophobicContact CE2-CG1 4.33Å; F414-V423 HydrophobicContact CG-CG2 4.15Å; F414-V423 HydrophobicContact CZ-CG1 4.32Å; F414-V423 HydrophobicContact CZ-CG2 4.2Å |
| 424 | D | 90.4 | Very high | 88.3 | Confident | 35 Ų | 35 | 68 Ų | 68 | 19% | 0.187 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137 | 174.6 | -61.9 | -36.7 | 0 | 0 | 0 | 109.5 | E412 I413 R415 I467 | E412-D424 CarbonylContact C-O 3.6Å; E412-D424 WeakPolarHBondContact CA-O 3.25Å; I413-D424 PolarHBondContact N-O 2.95Å; I413-D424 PolarHBondContact O-N 3.08Å; R415-D424 IonicContact CZ-OD2 2.82Å; R415-D424 IonicContact NE-OD2 2.72Å; R415-D424 PolarHBondContact NE-OD2 3.35Å; R415-D424 IonicContact NH2-OD2 3.5Å; R415-D424 PolarHBondContact NH2-OD2 3.04Å; D424-I467 HydrophobicContact CB-CD1 3.48Å; D424-I467 VanDerWaalsContact CB-CD1 3.48Å; D424-I467 HydrophobicContact CB-CG1 4.23Å |
| 425 | V | 89.9 | Confident | 88.4 | Confident | 74 Ų | 74 | 69 Ų | 69 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.7 | 179.9 | -175.4 | 0 | 0 | 0 | 0 | 109 | F411 E412 | F411-V425 WeakPolarHBondContact O-CA 3.38Å; E412-V425 HydrophobicContact CG-CG2 4.36Å |
| 426 | V | 89.3 | Confident | 88.5 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.9 | 171.4 | -178 | 0 | 0 | 0 | 0 | 107.8 | F411 M428 Y459 I467 | F411-V426 HydrophobicContact CB-CB 4.31Å; F411-V426 PolarHBondContact N-O 3.28Å; F411-V426 PolarHBondContact O-N 2.94Å; V426-M428 HydrophobicContact CG1-CE 4.15Å; V426-Y459 HydrophobicContact CG1-CE1 4.43Å; V426-I467 HydrophobicContact CG2-CB 4.06Å; V426-I467 HydrophobicContact CG2-CD1 3.47Å; V426-I467 VanDerWaalsContact CG2-CD1 3.47Å; V426-I467 HydrophobicContact CG2-CG1 4.38Å; V426-I467 HydrophobicContact CG2-CG2 4.02Å |
| 427 | E | 86.8 | Confident | 88.7 | Confident | 126 Ų | 126 | 69.8 Ų | 69.8 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.6 | 178.4 | 179.2 | 171.2 | -175.2 | 0 | 0 | 110.3 | V408 N410 | V408-E427 HydrophobicContact CG1-CG 4Å; N410-E427 WeakPolarHBondContact OD1-CG 3.35Å |
| 428 | M | 85.5 | Confident | 89 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.069 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.9 | 172.8 | -63.2 | -155 | -167.4 | 0 | 0 | 110.4 | T409 F411 V426 I432 V446 Y459 | T409-M428 PolarHBondContact N-O 2.95Å; T409-M428 VanDerWaalsContact N-O 3.1Å; T409-M428 PolarHBondContact O-N 3.07Å; T409-M428 VanDerWaalsContact O-O 3.05Å; F411-M428 HydrophobicContact CD2-CE 3.83Å; F411-M428 HydrophobicContact CD2-CG 4.37Å; F411-M428 HydrophobicContact CD2-SD 4.4Å; F411-M428 HydrophobicContact CE2-CE 3.61Å; F411-M428 HydrophobicContact CE2-CG 4.32Å; F411-M428 HydrophobicContact CE2-SD 3.87Å; V426-M428 HydrophobicContact CG1-CE 4.15Å; M428-I432 HydrophobicContact CB-CD1 3.88Å; M428-I432 HydrophobicContact CG-CD1 4.21Å; M428-I432 HydrophobicContact SD-CD1 3.87Å; M428-I432 HydrophobicContact SD-CG1 4.36Å; M428-V446 HydrophobicContact CE-CB 4.35Å; M428-V446 HydrophobicContact CE-CG1 4.3Å; M428-V446 HydrophobicContact CE-CG2 4.08Å; M428-V446 HydrophobicContact SD-CG1 4.11Å; M428-Y459 HydrophobicContact CE-CD2 4.3Å; M428-Y459 HydrophobicContact CE-CE1 4.13Å; M428-Y459 HydrophobicContact CE-CE2 3.33Å; M428-Y459 WeakPolarHBondContact CE-OH 3.44Å |
| 429 | K | 83.3 | Confident | 89.1 | Confident | 179 Ų | 179 | 61 Ų | 61 | 78% | 0.778 | 31% | 0.309 | S | S | * | . | trans | -81.2 | -22.6 | -179.1 | -64.4 | -175.8 | 179.2 | -178.6 | 0 | 113.3 | ||||
| 430 | E | 84.8 | Confident | 89.1 | Confident | 88 Ų | 88 | 55.4 Ų | 55.4 | 41% | 0.411 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -87.8 | 154.4 | -180 | -65.2 | -177.3 | -172.1 | 0 | 0 | 111.2 | I432 H448 | E430-I432 PolarHBondContact O-N 3.42Å; E430-H448 HydrophobicContact CB-CB 4.28Å; E430-H448 IonicContact OE2-CE1 3.69Å; E430-H448 PolarHBondContact OE2-CE1 2.98Å; E430-H448 IonicContact OE2-CG 2.99Å; E430-H448 IonicContact OE2-ND1 3.82Å; E430-H448 PolarHBondContact OE2-ND1 3.07Å |
| 431 | S | 85.8 | Confident | 89.2 | Confident | 64 Ų | 64 | 47.1 Ų | 47.1 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 130.9 | 174.2 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | H448 G449 | S431-H448 CarbonylContact O-C 3.6Å; S431-H448 WeakPolarHBondContact O-CA 3.43Å; S431-G449 PolarHBondContact O-N 2.69Å; S431-G449 PolarHBondContact OG-O 2.8Å |
| 432 | I | 90.1 | Very high | 89.3 | Confident | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.1 | 178.6 | -75.1 | 154.6 | 0 | 0 | 0 | 110.3 | T409 F411 M428 E430 V446 H448 | T409-I432 HydrophobicContact CG2-CB 4.37Å; T409-I432 HydrophobicContact CG2-CD1 3.32Å; T409-I432 HydrophobicContact CG2-CG1 4.35Å; F411-I432 HydrophobicContact CD2-CD1 4.17Å; F411-I432 HydrophobicContact CE1-CD1 4.28Å; F411-I432 HydrophobicContact CE2-CD1 3.21Å; F411-I432 HydrophobicContact CE2-CG1 4.28Å; F411-I432 HydrophobicContact CZ-CD1 3.31Å; F411-I432 HydrophobicContact CZ-CG1 4.16Å; F411-I432 HydrophobicContact CZ-CG2 3.94Å; M428-I432 HydrophobicContact CB-CD1 3.88Å; M428-I432 HydrophobicContact CG-CD1 4.21Å; M428-I432 HydrophobicContact SD-CD1 3.87Å; M428-I432 HydrophobicContact SD-CG1 4.36Å; E430-I432 PolarHBondContact O-N 3.42Å; I432-V446 HydrophobicContact CD1-CG1 4.21Å; I432-V446 HydrophobicContact CG1-CG1 3.85Å; I432-V446 HydrophobicContact CG2-CG1 3.98Å; I432-H448 HydrophobicContact CG1-CB 3.96Å |
| 433 | I | 89.6 | Confident | 89.4 | Confident | 81 Ų | 81 | 48 Ų | 48 | 42% | 0.415 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -48.7 | 179.8 | -56 | 173.3 | 0 | 0 | 0 | 110 | L447 G449 I454 | I433-L447 HydrophobicContact CB-CB 4.4Å; I433-L447 PolarHBondContact N-O 3.09Å; I433-G449 WeakPolarHBondContact CD1-O 3.39Å; I433-I454 HydrophobicContact CD1-CB 4.46Å; I433-I454 HydrophobicContact CD1-CD1 3.63Å; I433-I454 HydrophobicContact CD1-CG1 3.71Å; I433-I454 HydrophobicContact CD1-CG2 3.95Å |
| 434 | A | 91 | Very high | 89.5 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 148.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V446 L447 I481 | A434-V446 WeakPolarHBondContact O-CA 3.23Å; A434-L447 HydrophobicContact CB-CB 4.08Å; A434-L447 HydrophobicContact CB-CD1 4.02Å; A434-L447 HydrophobicContact CB-CG 4.28Å; A434-L447 PolarHBondContact N-O 3.23Å; A434-L447 PolarHBondContact O-N 2.88Å; A434-I481 HydrophobicContact CB-CD1 4.22Å; A434-I481 HydrophobicContact CB-CG1 4.43Å |
| 435 | F | 94.2 | Very high | 89.7 | Confident | 21 Ų | 21 | 45 Ų | 45 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 133.1 | 174.8 | 174.8 | -82.6 | 0 | 0 | 0 | 108.4 | H385 C394 F411 W437 F444 V446 | H385-F435 HydrophobicContact CB-CD1 3.69Å; H385-F435 HydrophobicContact CB-CE1 3.66Å; H385-F435 AromaticContact CD2-CD1 3.82Å; H385-F435 AromaticContact CG-CD1 3.6Å; C394-F435 HydrophobicContact CB-CE1 3.76Å; C394-F435 HydrophobicContact CB-CE2 4.12Å; C394-F435 HydrophobicContact CB-CZ 3.44Å; C394-F435 VanDerWaalsContact CB-CZ 3.44Å; C394-F435 VanDerWaalsContact SG-CE2 3.52Å; C394-F435 VanDerWaalsContact SG-CZ 3.51Å; F411-F435 HydrophobicContact CD1-CD2 4.13Å; F411-F435 HydrophobicContact CD1-CE2 4.37Å; F411-F435 HydrophobicContact CE1-CB 4.29Å; F411-F435 AromaticContact CE1-CD2 3.51Å; F411-F435 HydrophobicContact CE1-CD2 3.51Å; F411-F435 HydrophobicContact CE1-CE2 4.19Å; F411-F435 HydrophobicContact CE1-CG 4.12Å; F411-F435 HydrophobicContact CE2-CD2 4.44Å; F411-F435 HydrophobicContact CZ-CB 4.43Å; F411-F435 AromaticContact CZ-CD2 3.66Å; F411-F435 HydrophobicContact CZ-CD2 3.66Å; F411-F435 HydrophobicContact CZ-CE2 4.46Å; F411-F435 HydrophobicContact CZ-CG 4.44Å; F435-W437 AromaticContact CE1-CD1 3.56Å; F435-W437 HydrophobicContact CE1-CD2 4.18Å; F435-W437 AromaticContact CE1-CE2 3.84Å; F435-W437 AromaticContact CE1-CG 4Å; F435-W437 HydrophobicContact CE1-CG 4Å; F435-W437 AromaticContact CE1-NE1 3.44Å; F435-W437 HydrophobicContact CZ-CD2 4.05Å; F435-W437 AromaticContact CZ-CE2 3.64Å; F435-W437 HydrophobicContact CZ-CG 4.35Å; F435-W437 HydrophobicContact CZ-CZ2 4Å; F435-W437 AromaticContact CZ-NE1 3.73Å; F435-F444 HydrophobicContact CD2-CD2 4.12Å; F435-F444 HydrophobicContact CE2-CB 4.19Å; F435-F444 AromaticContact CE2-CD2 3.32Å; F435-F444 HydrophobicContact CE2-CD2 3.32Å; F435-F444 AromaticContact CE2-CE2 3.76Å; F435-F444 HydrophobicContact CE2-CE2 3.76Å; F435-F444 AromaticContact CE2-CG 3.88Å; F435-F444 HydrophobicContact CE2-CG 3.88Å; F435-F444 HydrophobicContact CZ-CB 3.98Å; F435-F444 AromaticContact CZ-CD2 3.93Å; F435-F444 HydrophobicContact CZ-CD2 3.93Å; F435-F444 HydrophobicContact CZ-CG 4.01Å; F435-V446 HydrophobicContact CD2-CG2 3.86Å; F435-V446 HydrophobicContact CE2-CG2 4.32Å |
| 436 | A | 94.4 | Very high | 89.9 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 131.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F444 A445 I481 W483 | A436-F444 WeakPolarHBondContact O-CA 3.34Å; A436-A445 PolarHBondContact N-O 3.23Å; A436-A445 PolarHBondContact O-N 3.38Å; A436-I481 HydrophobicContact CB-CB 3.88Å; A436-I481 HydrophobicContact CB-CD1 4.27Å; A436-I481 HydrophobicContact CB-CG2 3.7Å; A436-W483 PolarHBondContact O-NE1 2.95Å |
| 437 | W | 94.3 | Very high | 90.1 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 9% | 0.087 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 145.4 | 173 | -76.8 | 114.5 | 0 | 0 | 0 | 111.7 | H385 Q387 Y392 C394 I413 F435 P439 F444 V461 | H385-W437 PolarHBondContact O-NE1 2.95Å; Q387-W437 HydrophobicContact CB-CB 4.49Å; Q387-W437 HydrophobicContact CB-CD2 4.09Å; Q387-W437 HydrophobicContact CB-CG 4.02Å; Q387-W437 HydrophobicContact CG-CB 4.41Å; Q387-W437 HydrophobicContact CG-CD2 4.34Å; Q387-W437 HydrophobicContact CG-CE3 4.42Å; Q387-W437 HydrophobicContact CG-CG 4.34Å; Y392-W437 HydrophobicContact CD2-CZ3 4.46Å; Y392-W437 HydrophobicContact CG-CH2 4.22Å; C394-W437 HydrophobicContact CB-CZ2 3.63Å; I413-W437 HydrophobicContact CD1-CH2 4.01Å; I413-W437 HydrophobicContact CD1-CZ2 4.41Å; I413-W437 HydrophobicContact CG2-CH2 3.94Å; I413-W437 HydrophobicContact CG2-CZ2 4.14Å; F435-W437 AromaticContact CE1-CD1 3.56Å; F435-W437 HydrophobicContact CE1-CD2 4.18Å; F435-W437 AromaticContact CE1-CE2 3.84Å; F435-W437 AromaticContact CE1-CG 4Å; F435-W437 HydrophobicContact CE1-CG 4Å; F435-W437 AromaticContact CE1-NE1 3.44Å; F435-W437 HydrophobicContact CZ-CD2 4.05Å; F435-W437 AromaticContact CZ-CE2 3.64Å; F435-W437 HydrophobicContact CZ-CG 4.35Å; F435-W437 HydrophobicContact CZ-CZ2 4Å; F435-W437 AromaticContact CZ-NE1 3.73Å; W437-P439 WeakPolarHBondContact O-CD 3.21Å; W437-F444 HydrophobicContact CD2-CB 4.12Å; W437-F444 HydrophobicContact CE3-CB 3.63Å; W437-F444 HydrophobicContact CE3-CD1 4.15Å; W437-F444 HydrophobicContact CE3-CG 4.29Å; W437-F444 AromaticContact CH2-CD1 3.85Å; W437-F444 HydrophobicContact CH2-CD1 3.85Å; W437-F444 HydrophobicContact CH2-CE1 4.38Å; W437-F444 HydrophobicContact CH2-CG 4.49Å; W437-F444 HydrophobicContact CZ3-CB 3.92Å; W437-F444 AromaticContact CZ3-CD1 3.5Å; W437-F444 HydrophobicContact CZ3-CD1 3.5Å; W437-F444 HydrophobicContact CZ3-CE1 4.39Å; W437-F444 HydrophobicContact CZ3-CG 4.08Å; W437-V461 HydrophobicContact CH2-CG2 4.21Å; W437-V461 HydrophobicContact CZ3-CG2 4.17Å |
| 438 | E | 93.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.065 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 125.2 | 163.3 | -178.3 | 179.4 | -144 | 0 | 0 | 109.7 | N440 G441 K443 W483 Q488 | E438-N440 PolarHBondContact O-N 2.54Å; E438-G441 PolarHBondContact O-N 3.09Å; E438-G441 WeakPolarHBondContact OE2-CA 3.37Å; E438-K443 HydrophobicContact CB-CB 4.12Å; E438-K443 WeakPolarHBondContact CB-O 3.33Å; E438-K443 PolarHBondContact N-O 3.17Å; E438-K443 WeakPolarHBondContact OE1-CE 3Å; E438-K443 IonicContact OE1-NZ 3.46Å; E438-K443 PolarHBondContact OE1-NZ 3Å; E438-K443 WeakPolarHBondContact OE2-CB 3.42Å; E438-K443 WeakPolarHBondContact OE2-CE 3.29Å; E438-K443 IonicContact OE2-NZ 2.71Å; E438-K443 PolarHBondContact OE2-NZ 2.93Å; E438-W483 HydrophobicContact CB-CD2 4.48Å; E438-W483 HydrophobicContact CB-CE3 4.08Å; E438-W483 HydrophobicContact CB-CH2 3.96Å; E438-W483 HydrophobicContact CB-CZ2 4.4Å; E438-W483 HydrophobicContact CB-CZ3 3.8Å; E438-W483 HydrophobicContact CG-CE3 4.04Å; E438-W483 HydrophobicContact CG-CH2 4.43Å; E438-W483 HydrophobicContact CG-CZ3 3.81Å; E438-Q488 PolarHBondContact OE1-N 2.79Å; E438-Q488 VanDerWaalsContact OE1-N 3.08Å |
| 439 | P | 89.3 | Confident | 90.4 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 129.4 | 172.5 | -27.1 | 38.5 | 0 | 0 | 0 | 110.7 | W437 G441 W483 S484 | W437-P439 WeakPolarHBondContact O-CD 3.21Å; P439-G441 PolarHBondContact O-N 2.96Å; P439-G441 VanDerWaalsContact O-N 3.15Å; P439-W483 HydrophobicContact CG-CB 3.79Å; P439-S484 WeakPolarHBondContact CG-O 3.42Å |
| 440 | N | 85.1 | Confident | 90.4 | Very high | 82 Ų | 82 | 33.4 Ų | 33.4 | 44% | 0.439 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 17.9 | 178.7 | -43.9 | -40.7 | 0 | 0 | 0 | 115.1 | N389 E438 P485 | N389-N440 PolarHBondContact OD1-OD1 3.44Å; E438-N440 PolarHBondContact O-N 2.54Å; N440-P485 PolarHBondContact ND2-O 3.05Å |
| 441 | G | 87.3 | Confident | 90.1 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 13% | 0.134 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -138.9 | 173.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q387 E438 P439 | Q387-G441 PolarHBondContact NE2-O 3.17Å; E438-G441 PolarHBondContact O-N 3.09Å; E438-G441 WeakPolarHBondContact OE2-CA 3.37Å; P439-G441 PolarHBondContact O-N 2.96Å; P439-G441 VanDerWaalsContact O-N 3.15Å |
| 442 | S | 90.3 | Very high | 89.7 | Confident | 28 Ų | 28 | 35.6 Ų | 35.6 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -104.2 | 18.3 | -176.2 | -48.2 | 0 | 0 | 0 | 0 | 113.2 | Y392 H460 V461 | Y392-S442 WeakPolarHBondContact CE2-OG 3.3Å; Y392-S442 PolarHBondContact OH-OG 2.88Å; S442-H460 PolarHBondContact O-ND1 2.95Å; S442-V461 WeakPolarHBondContact O-CB 3.42Å; S442-V461 PolarHBondContact O-N 3.07Å |
| 443 | K | 92.2 | Very high | 89.3 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 17% | 0.174 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 154.3 | 173.5 | -60.3 | -172.7 | -62.7 | -64 | 0 | 110 | E438 Y459 H460 I470 T507 | E438-K443 HydrophobicContact CB-CB 4.12Å; E438-K443 WeakPolarHBondContact CB-O 3.33Å; E438-K443 PolarHBondContact N-O 3.17Å; E438-K443 WeakPolarHBondContact OE1-CE 3Å; E438-K443 IonicContact OE1-NZ 3.46Å; E438-K443 PolarHBondContact OE1-NZ 3Å; E438-K443 WeakPolarHBondContact OE2-CB 3.42Å; E438-K443 WeakPolarHBondContact OE2-CE 3.29Å; E438-K443 IonicContact OE2-NZ 2.71Å; E438-K443 PolarHBondContact OE2-NZ 2.93Å; K443-Y459 VanDerWaalsContact CA-O 3.31Å; K443-Y459 WeakPolarHBondContact CA-O 3.45Å; K443-H460 HydrophobicContact CG-CB 4.3Å; K443-I470 HydrophobicContact CD-CD1 4Å; K443-T507 WeakPolarHBondContact CE-O 3.38Å; K443-T507 WeakPolarHBondContact CE-OG1 3.24Å |
| 444 | F | 93.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 155.2 | 170.9 | 63.8 | -89.1 | 0 | 0 | 0 | 110.9 | I413 F435 A436 W437 V446 Y459 V461 I467 | I413-F444 HydrophobicContact CD1-CD1 4.31Å; I413-F444 HydrophobicContact CD1-CE1 3.49Å; I413-F444 VanDerWaalsContact CD1-CE1 3.49Å; I413-F444 HydrophobicContact CD1-CZ 3.68Å; F435-F444 HydrophobicContact CD2-CD2 4.12Å; F435-F444 HydrophobicContact CE2-CB 4.19Å; F435-F444 AromaticContact CE2-CD2 3.32Å; F435-F444 HydrophobicContact CE2-CD2 3.32Å; F435-F444 AromaticContact CE2-CE2 3.76Å; F435-F444 HydrophobicContact CE2-CE2 3.76Å; F435-F444 AromaticContact CE2-CG 3.88Å; F435-F444 HydrophobicContact CE2-CG 3.88Å; F435-F444 HydrophobicContact CZ-CB 3.98Å; F435-F444 AromaticContact CZ-CD2 3.93Å; F435-F444 HydrophobicContact CZ-CD2 3.93Å; F435-F444 HydrophobicContact CZ-CG 4.01Å; A436-F444 WeakPolarHBondContact O-CA 3.34Å; W437-F444 HydrophobicContact CD2-CB 4.12Å; W437-F444 HydrophobicContact CE3-CB 3.63Å; W437-F444 HydrophobicContact CE3-CD1 4.15Å; W437-F444 HydrophobicContact CE3-CG 4.29Å; W437-F444 AromaticContact CH2-CD1 3.85Å; W437-F444 HydrophobicContact CH2-CD1 3.85Å; W437-F444 HydrophobicContact CH2-CE1 4.38Å; W437-F444 HydrophobicContact CH2-CG 4.49Å; W437-F444 HydrophobicContact CZ3-CB 3.92Å; W437-F444 AromaticContact CZ3-CD1 3.5Å; W437-F444 HydrophobicContact CZ3-CD1 3.5Å; W437-F444 HydrophobicContact CZ3-CE1 4.39Å; W437-F444 HydrophobicContact CZ3-CG 4.08Å; F444-V446 HydrophobicContact CD2-CG2 3.71Å; F444-V446 HydrophobicContact CE2-CG2 3.73Å; F444-Y459 HydrophobicContact CD2-CD2 4.01Å; F444-Y459 HydrophobicContact CD2-CG 4.31Å; F444-Y459 VanDerWaalsContact CE1-CB 3.44Å; F444-Y459 HydrophobicContact CE1-CG 4.28Å; F444-Y459 VanDerWaalsContact CE2-CB 3.5Å; F444-Y459 AromaticContact CE2-CD2 3.44Å; F444-Y459 HydrophobicContact CE2-CD2 3.44Å; F444-Y459 VanDerWaalsContact CE2-CD2 3.44Å; F444-Y459 HydrophobicContact CE2-CE2 4.34Å; F444-Y459 AromaticContact CE2-CG 3.57Å; F444-Y459 HydrophobicContact CE2-CG 3.57Å; F444-Y459 HydrophobicContact CZ-CD1 4.27Å; F444-Y459 AromaticContact CZ-CD2 3.95Å; F444-Y459 HydrophobicContact CZ-CD2 3.95Å; F444-Y459 AromaticContact CZ-CG 3.56Å; F444-Y459 HydrophobicContact CZ-CG 3.56Å; F444-Y459 PolarHBondContact N-O 2.87Å; F444-Y459 PolarHBondContact O-N 3.24Å; F444-V461 HydrophobicContact CD1-CG2 4.18Å; F444-V461 HydrophobicContact CE1-CG2 3.94Å; F444-I467 HydrophobicContact CE1-CG2 3.95Å; F444-I467 HydrophobicContact CZ-CG2 3.96Å |
| 445 | A | 93.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A436 S457 F458 I481 W483 M490 | A436-A445 PolarHBondContact N-O 3.23Å; A436-A445 PolarHBondContact O-N 3.38Å; A445-S457 WeakPolarHBondContact CA-O 3.45Å; A445-F458 HydrophobicContact CB-CD1 3.85Å; A445-F458 HydrophobicContact CB-CE1 3.98Å; A445-I481 HydrophobicContact CB-CD1 3.96Å; A445-I481 HydrophobicContact CB-CG2 4.47Å; A445-W483 HydrophobicContact CB-CZ2 3.71Å; A445-M490 HydrophobicContact CB-CE 3.57Å; A445-M490 HydrophobicContact CB-SD 4.28Å |
| 446 | V | 93.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.8 | 178.6 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | F411 M428 I432 A434 F435 F444 A456 S457 Y459 | F411-V446 HydrophobicContact CE2-CG1 3.87Å; F411-V446 HydrophobicContact CE2-CG2 3.91Å; F411-V446 HydrophobicContact CZ-CG1 3.84Å; F411-V446 HydrophobicContact CZ-CG2 4.08Å; M428-V446 HydrophobicContact CE-CB 4.35Å; M428-V446 HydrophobicContact CE-CG1 4.3Å; M428-V446 HydrophobicContact CE-CG2 4.08Å; M428-V446 HydrophobicContact SD-CG1 4.11Å; I432-V446 HydrophobicContact CD1-CG1 4.21Å; I432-V446 HydrophobicContact CG1-CG1 3.85Å; I432-V446 HydrophobicContact CG2-CG1 3.98Å; A434-V446 WeakPolarHBondContact O-CA 3.23Å; F435-V446 HydrophobicContact CD2-CG2 3.86Å; F435-V446 HydrophobicContact CE2-CG2 4.32Å; F444-V446 HydrophobicContact CD2-CG2 3.71Å; F444-V446 HydrophobicContact CE2-CG2 3.73Å; V446-A456 WeakPolarHBondContact O-CA 3.38Å; V446-S457 PolarHBondContact N-O 2.76Å; V446-S457 PolarHBondContact O-N 3.14Å; V446-Y459 HydrophobicContact CB-CE2 4.36Å; V446-Y459 HydrophobicContact CG2-CD2 4.06Å; V446-Y459 HydrophobicContact CG2-CE2 4.04Å |
| 447 | L | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122 | 165.7 | -65.8 | 179.8 | 0 | 0 | 0 | 108.8 | I433 A434 I454 N455 A456 A478 I481 L492 | I433-L447 HydrophobicContact CB-CB 4.4Å; I433-L447 PolarHBondContact N-O 3.09Å; A434-L447 HydrophobicContact CB-CB 4.08Å; A434-L447 HydrophobicContact CB-CD1 4.02Å; A434-L447 HydrophobicContact CB-CG 4.28Å; A434-L447 PolarHBondContact N-O 3.23Å; A434-L447 PolarHBondContact O-N 2.88Å; L447-I454 HydrophobicContact CB-CG2 4.09Å; L447-I454 HydrophobicContact CD2-CG2 4.24Å; L447-N455 WeakPolarHBondContact CA-O 3.39Å; L447-A456 HydrophobicContact CD2-CB 3.57Å; L447-A478 HydrophobicContact CD1-CB 4.29Å; L447-I481 HydrophobicContact CD1-CD1 4.23Å; L447-I481 HydrophobicContact CD1-CG1 3.7Å; L447-I481 HydrophobicContact CD2-CG1 4.42Å; L447-I481 HydrophobicContact CG-CD1 3.72Å; L447-I481 HydrophobicContact CG-CG1 3.7Å; L447-L492 HydrophobicContact CD2-CD2 4.22Å |
| 448 | H | 91.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159.9 | 179.9 | 61.1 | 88 | 0 | 0 | 0 | 111.3 | E430 S431 I432 N455 S457 | E430-H448 HydrophobicContact CB-CB 4.28Å; E430-H448 IonicContact OE2-CE1 3.69Å; E430-H448 PolarHBondContact OE2-CE1 2.98Å; E430-H448 IonicContact OE2-CG 2.99Å; E430-H448 IonicContact OE2-ND1 3.82Å; E430-H448 PolarHBondContact OE2-ND1 3.07Å; S431-H448 CarbonylContact O-C 3.6Å; S431-H448 WeakPolarHBondContact O-CA 3.43Å; I432-H448 HydrophobicContact CG1-CB 3.96Å; H448-N455 VanDerWaalsContact CE1-CB 3.48Å; H448-N455 WeakPolarHBondContact CE1-CB 3.18Å; H448-N455 PolarHBondContact N-O 2.99Å; H448-N455 PolarHBondContact O-N 2.71Å; H448-S457 WeakPolarHBondContact NE2-CB 3.12Å; H448-S457 PolarHBondContact NE2-OG 3.27Å |
| 449 | G | 87.8 | Confident | 89.1 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.1 | -172.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S431 I433 | S431-G449 PolarHBondContact O-N 2.69Å; S431-G449 PolarHBondContact OG-O 2.8Å; I433-G449 WeakPolarHBondContact CD1-O 3.39Å |
| 450 | E | 83.8 | Confident | 89.2 | Confident | 156 Ų | 156 | 40 Ų | 40 | 73% | 0.729 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.2 | -175.7 | -170.4 | 172.8 | -161.9 | 0 | 0 | 109.5 | R453 | E450-R453 CarbonylContact O-C 3.21Å; E450-R453 VanDerWaalsContact O-C 3.26Å; E450-R453 WeakPolarHBondContact O-CA 3.48Å; E450-R453 PolarHBondContact O-N 3.16Å |
| 451 | S | 77.6 | Confident | 89.3 | Confident | 95 Ų | 95 | 36.1 Ų | 36.1 | 66% | 0.664 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 129.9 | 175.9 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 452 | P | 76.4 | Confident | 89.2 | Confident | 104 Ų | 104 | 38.8 Ų | 38.8 | 68% | 0.675 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -98.9 | 6.8 | 15 | 37.3 | -36.1 | 0 | 0 | 0 | 115.5 | ||
| 453 | R | 82.9 | Confident | 88.5 | Confident | 176 Ų | 176 | 44.4 Ų | 44.4 | 66% | 0.664 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 72.1 | -177 | -66.6 | -177.2 | -69 | -168.4 | -3 | 110.5 | E450 | E450-R453 CarbonylContact O-C 3.21Å; E450-R453 VanDerWaalsContact O-C 3.26Å; E450-R453 WeakPolarHBondContact O-CA 3.48Å; E450-R453 PolarHBondContact O-N 3.16Å |
| 454 | I | 90 | Very high | 87.6 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 131.1 | 175.4 | -55 | 171.1 | 0 | 0 | 0 | 108.5 | I433 L447 K475 Q476 A478 | I433-I454 HydrophobicContact CD1-CB 4.46Å; I433-I454 HydrophobicContact CD1-CD1 3.63Å; I433-I454 HydrophobicContact CD1-CG1 3.71Å; I433-I454 HydrophobicContact CD1-CG2 3.95Å; L447-I454 HydrophobicContact CB-CG2 4.09Å; L447-I454 HydrophobicContact CD2-CG2 4.24Å; I454-K475 CarbonylContact O-C 3.48Å; I454-K475 PolarHBondContact O-N 3.1Å; I454-Q476 WeakPolarHBondContact CB-O 3.41Å; I454-Q476 WeakPolarHBondContact O-CA 3.39Å; I454-Q476 PolarHBondContact O-N 2.71Å; I454-A478 WeakPolarHBondContact CD1-O 3.45Å; I454-A478 WeakPolarHBondContact CG2-O 3.43Å |
| 455 | N | 91.6 | Very high | 86.5 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.4 | 176.4 | -61.4 | -27.3 | 0 | 0 | 0 | 109.3 | L447 H448 F473 D474 K475 | L447-N455 WeakPolarHBondContact CA-O 3.39Å; H448-N455 VanDerWaalsContact CE1-CB 3.48Å; H448-N455 WeakPolarHBondContact CE1-CB 3.18Å; H448-N455 PolarHBondContact N-O 2.99Å; H448-N455 PolarHBondContact O-N 2.71Å; N455-F473 CarbonylContact C-O 3.58Å; N455-F473 WeakPolarHBondContact CA-O 3.25Å; N455-D474 VanDerWaalsContact OD1-CA 3.3Å; N455-D474 WeakPolarHBondContact OD1-CA 3.38Å; N455-K475 PolarHBondContact OD1-N 3Å; N455-K475 VanDerWaalsContact OD1-N 3.11Å |
| 456 | A | 92.4 | Very high | 86 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V446 L447 F458 M472 F473 Q476 L492 | V446-A456 WeakPolarHBondContact O-CA 3.38Å; L447-A456 HydrophobicContact CD2-CB 3.57Å; A456-F458 HydrophobicContact CB-CZ 4.2Å; A456-M472 CarbonylContact O-C 3.43Å; A456-M472 WeakPolarHBondContact O-CA 3.17Å; A456-F473 HydrophobicContact CB-CB 4.38Å; A456-F473 PolarHBondContact N-O 2.79Å; A456-F473 PolarHBondContact O-N 3.36Å; A456-Q476 HydrophobicContact CB-CG 4.34Å; A456-L492 HydrophobicContact CB-CD1 3.81Å |
| 457 | S | 92.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.4 | 179.2 | -75 | 0 | 0 | 0 | 0 | 111.7 | A445 V446 H448 Y459 M472 | A445-S457 WeakPolarHBondContact CA-O 3.45Å; V446-S457 PolarHBondContact N-O 2.76Å; V446-S457 PolarHBondContact O-N 3.14Å; H448-S457 WeakPolarHBondContact NE2-CB 3.12Å; H448-S457 PolarHBondContact NE2-OG 3.27Å; S457-Y459 VanDerWaalsContact CB-CE2 3.47Å; S457-M472 WeakPolarHBondContact OG-CE 3.29Å |
| 458 | F | 92.9 | Very high | 85.4 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.9 | 179.2 | -51.3 | -80.2 | 0 | 0 | 0 | 110.4 | A445 A456 L469 I470 K471 F473 M490 L492 V505 C510 | A445-F458 HydrophobicContact CB-CD1 3.85Å; A445-F458 HydrophobicContact CB-CE1 3.98Å; A456-F458 HydrophobicContact CB-CZ 4.2Å; F458-L469 WeakPolarHBondContact O-CD1 3.48Å; F458-I470 HydrophobicContact CB-CB 4.41Å; F458-I470 HydrophobicContact CB-CD1 4.44Å; F458-I470 PolarHBondContact O-N 3.34Å; F458-K471 HydrophobicContact CD2-CB 4.29Å; F458-K471 WeakPolarHBondContact CD2-O 3.12Å; F458-K471 PolarHBondContact N-O 3.22Å; F458-F473 HydrophobicContact CD2-CD2 4.4Å; F458-F473 HydrophobicContact CD2-CE2 4.33Å; F458-F473 AromaticContact CE2-CD2 3.19Å; F458-F473 HydrophobicContact CE2-CD2 3.19Å; F458-F473 AromaticContact CE2-CE2 3.29Å; F458-F473 HydrophobicContact CE2-CE2 3.29Å; F458-F473 HydrophobicContact CE2-CG 4.12Å; F458-F473 HydrophobicContact CE2-CZ 4.32Å; F458-F473 AromaticContact CZ-CD2 3.53Å; F458-F473 HydrophobicContact CZ-CD2 3.53Å; F458-F473 AromaticContact CZ-CE2 3.6Å; F458-F473 HydrophobicContact CZ-CE2 3.6Å; F458-M490 HydrophobicContact CD1-SD 4Å; F458-M490 HydrophobicContact CE1-CE 3.97Å; F458-M490 HydrophobicContact CE1-SD 3.4Å; F458-M490 WeakPolarHBondContact CE1-SD 2.93Å; F458-M490 HydrophobicContact CZ-SD 4.41Å; F458-L492 HydrophobicContact CZ-CD1 4.42Å; F458-V505 HydrophobicContact CE1-CG1 4.42Å; F458-V505 HydrophobicContact CZ-CG1 4.18Å; F458-C510 HydrophobicContact CD2-CB 4.46Å |
| 459 | Y | 92.3 | Very high | 85.4 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.8 | -179 | -64.9 | -92.2 | 0 | 0 | 0 | 110.7 | V426 M428 K443 F444 V446 S457 I467 E468 L469 | V426-Y459 HydrophobicContact CG1-CE1 4.43Å; M428-Y459 HydrophobicContact CE-CD2 4.3Å; M428-Y459 HydrophobicContact CE-CE1 4.13Å; M428-Y459 HydrophobicContact CE-CE2 3.33Å; M428-Y459 WeakPolarHBondContact CE-OH 3.44Å; K443-Y459 VanDerWaalsContact CA-O 3.31Å; K443-Y459 WeakPolarHBondContact CA-O 3.45Å; F444-Y459 HydrophobicContact CD2-CD2 4.01Å; F444-Y459 HydrophobicContact CD2-CG 4.31Å; F444-Y459 VanDerWaalsContact CE1-CB 3.44Å; F444-Y459 HydrophobicContact CE1-CG 4.28Å; F444-Y459 VanDerWaalsContact CE2-CB 3.5Å; F444-Y459 AromaticContact CE2-CD2 3.44Å; F444-Y459 HydrophobicContact CE2-CD2 3.44Å; F444-Y459 VanDerWaalsContact CE2-CD2 3.44Å; F444-Y459 HydrophobicContact CE2-CE2 4.34Å; F444-Y459 AromaticContact CE2-CG 3.57Å; F444-Y459 HydrophobicContact CE2-CG 3.57Å; F444-Y459 HydrophobicContact CZ-CD1 4.27Å; F444-Y459 AromaticContact CZ-CD2 3.95Å; F444-Y459 HydrophobicContact CZ-CD2 3.95Å; F444-Y459 AromaticContact CZ-CG 3.56Å; F444-Y459 HydrophobicContact CZ-CG 3.56Å; F444-Y459 PolarHBondContact N-O 2.87Å; F444-Y459 PolarHBondContact O-N 3.24Å; V446-Y459 HydrophobicContact CB-CE2 4.36Å; V446-Y459 HydrophobicContact CG2-CD2 4.06Å; V446-Y459 HydrophobicContact CG2-CE2 4.04Å; S457-Y459 VanDerWaalsContact CB-CE2 3.47Å; Y459-I467 HydrophobicContact CD1-CG2 4.07Å; Y459-I467 HydrophobicContact CG-CG2 4.48Å; Y459-E468 CarbonylContact C-O 3.57Å; Y459-E468 WeakPolarHBondContact CA-O 3.41Å; Y459-L469 HydrophobicContact CD1-CB 4.14Å; Y459-L469 HydrophobicContact CD1-CD1 4.22Å; Y459-L469 HydrophobicContact CD2-CD1 4.43Å; Y459-L469 HydrophobicContact CE1-CB 3.83Å; Y459-L469 HydrophobicContact CE1-CD1 3.73Å; Y459-L469 HydrophobicContact CE1-CG 4.37Å; Y459-L469 HydrophobicContact CE2-CD1 3.94Å |
| 460 | H | 90.9 | Very high | 85.5 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 30% | 0.296 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.8 | 171.4 | -176 | 38.4 | 0 | 0 | 0 | 110.5 | S442 K443 K462 I467 E468 I470 | S442-H460 PolarHBondContact O-ND1 2.95Å; K443-H460 HydrophobicContact CG-CB 4.3Å; H460-K462 PolarHBondContact O-N 3.44Å; H460-I467 WeakPolarHBondContact O-CA 3.34Å; H460-E468 PolarHBondContact N-O 3.26Å; H460-E468 PolarHBondContact O-N 2.84Å; H460-I470 HydrophobicContact CB-CD1 3.71Å; H460-I470 HydrophobicContact CB-CG1 3.82Å |
| 461 | V | 88.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 104.6 | 169.6 | -171.2 | 0 | 0 | 0 | 0 | 107.9 | Y392 R415 W437 S442 F444 I467 | Y392-V461 HydrophobicContact CE1-CG1 4.03Å; R415-V461 VanDerWaalsContact NH2-CG1 3.26Å; W437-V461 HydrophobicContact CH2-CG2 4.21Å; W437-V461 HydrophobicContact CZ3-CG2 4.17Å; S442-V461 WeakPolarHBondContact O-CB 3.42Å; S442-V461 PolarHBondContact O-N 3.07Å; F444-V461 HydrophobicContact CD1-CG2 4.18Å; F444-V461 HydrophobicContact CE1-CG2 3.94Å; V461-I467 HydrophobicContact CG1-CG1 4.43Å; V461-I467 HydrophobicContact CG2-CG1 4.25Å |
| 462 | K | 84.8 | Confident | 86.4 | Confident | 70 Ų | 70 | 62.9 Ų | 62.9 | 30% | 0.304 | 31% | 0.311 | S | S | . | . | trans | -75.6 | 152.1 | 175.8 | -73.2 | -175.4 | -179.5 | 172.6 | 0 | 110.8 | R415 H460 N464 G465 K466 E468 | R415-K462 PolarHBondContact NH1-O 2.86Å; H460-K462 PolarHBondContact O-N 3.44Å; K462-N464 WeakPolarHBondContact CB-OD1 3.48Å; K462-N464 PolarHBondContact O-N 2.95Å; K462-G465 PolarHBondContact O-N 3.35Å; K462-K466 WeakPolarHBondContact CB-O 3.41Å; K462-K466 PolarHBondContact N-O 3.39Å; K462-E468 VanDerWaalsContact CE-CD 3.44Å; K462-E468 WeakPolarHBondContact CE-OE1 3.39Å; K462-E468 WeakPolarHBondContact CE-OE2 3.33Å; K462-E468 IonicContact NZ-OE1 3.99Å; K462-E468 PolarHBondContact NZ-OE1 3.09Å; K462-E468 IonicContact NZ-OE2 3.23Å; K462-E468 PolarHBondContact NZ-OE2 3.08Å | ||
| 463 | N | 75.9 | Confident | 87.1 | Confident | 145 Ų | 145 | 59.2 Ų | 59.2 | 78% | 0.775 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.5 | 175.6 | -65.5 | -3.5 | 0 | 0 | 0 | 113.4 | G465 | N463-G465 VanDerWaalsContact C-N 3.29Å; N463-G465 PolarHBondContact O-N 3.19Å |
| 464 | N | 73.1 | Confident | 87.3 | Confident | 103 Ų | 103 | 55.4 Ų | 55.4 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 9.5 | -178.8 | 69.5 | -4.1 | 0 | 0 | 0 | 114.3 | K462 K466 | K462-N464 WeakPolarHBondContact CB-OD1 3.48Å; K462-N464 PolarHBondContact O-N 2.95Å; N464-K466 PolarHBondContact OD1-N 3.28Å |
| 465 | G | 70.7 | Confident | 87.1 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 91.7 | -7.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | R415 K462 N463 | R415-G465 VanDerWaalsContact NH1-CA 3.29Å; R415-G465 PolarHBondContact NH2-O 2.77Å; K462-G465 PolarHBondContact O-N 3.35Å; N463-G465 VanDerWaalsContact C-N 3.29Å; N463-G465 PolarHBondContact O-N 3.19Å |
| 466 | K | 82.4 | Confident | 86.7 | Confident | 137 Ų | 137 | 63 Ų | 63 | 60% | 0.596 | 31% | 0.309 | S | S | * | . | trans | -104.1 | 138.2 | -174.7 | -62.6 | -172.2 | 178.7 | -176.3 | 0 | 112.6 | K462 N464 | K462-K466 WeakPolarHBondContact CB-O 3.41Å; K462-K466 PolarHBondContact N-O 3.39Å; N464-K466 PolarHBondContact OD1-N 3.28Å | ||
| 467 | I | 87.7 | Confident | 86.3 | Confident | 35 Ų | 35 | 67.9 Ų | 67.9 | 18% | 0.179 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.4 | 169.8 | -55.6 | 166.7 | 0 | 0 | 0 | 107.2 | I413 D424 V426 F444 Y459 H460 V461 | I413-I467 HydrophobicContact CB-CD1 4.16Å; I413-I467 HydrophobicContact CD1-CD1 3.51Å; I413-I467 HydrophobicContact CG1-CD1 3.96Å; D424-I467 HydrophobicContact CB-CD1 3.48Å; D424-I467 VanDerWaalsContact CB-CD1 3.48Å; D424-I467 HydrophobicContact CB-CG1 4.23Å; V426-I467 HydrophobicContact CG2-CB 4.06Å; V426-I467 HydrophobicContact CG2-CD1 3.47Å; V426-I467 VanDerWaalsContact CG2-CD1 3.47Å; V426-I467 HydrophobicContact CG2-CG1 4.38Å; V426-I467 HydrophobicContact CG2-CG2 4.02Å; F444-I467 HydrophobicContact CE1-CG2 3.95Å; F444-I467 HydrophobicContact CZ-CG2 3.96Å; Y459-I467 HydrophobicContact CD1-CG2 4.07Å; Y459-I467 HydrophobicContact CG-CG2 4.48Å; H460-I467 WeakPolarHBondContact O-CA 3.34Å; V461-I467 HydrophobicContact CG1-CG1 4.43Å; V461-I467 HydrophobicContact CG2-CG1 4.25Å |
| 468 | E | 88.4 | Confident | 86 | Confident | 77 Ų | 77 | 68 Ų | 68 | 36% | 0.36 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.4 | 179.2 | -71.6 | 178.8 | -156.6 | 0 | 0 | 110.5 | Y459 H460 K462 I470 | Y459-E468 CarbonylContact C-O 3.57Å; Y459-E468 WeakPolarHBondContact CA-O 3.41Å; H460-E468 PolarHBondContact N-O 3.26Å; H460-E468 PolarHBondContact O-N 2.84Å; K462-E468 VanDerWaalsContact CE-CD 3.44Å; K462-E468 WeakPolarHBondContact CE-OE1 3.39Å; K462-E468 WeakPolarHBondContact CE-OE2 3.33Å; K462-E468 IonicContact NZ-OE1 3.99Å; K462-E468 PolarHBondContact NZ-OE1 3.09Å; K462-E468 IonicContact NZ-OE2 3.23Å; K462-E468 PolarHBondContact NZ-OE2 3.08Å; E468-I470 PolarHBondContact O-N 2.92Å |
| 469 | L | 90.1 | Very high | 85.9 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 45% | 0.445 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.9 | 167.6 | 178.5 | 71.7 | 0 | 0 | 0 | 108.1 | F458 Y459 M472 | F458-L469 WeakPolarHBondContact O-CD1 3.48Å; Y459-L469 HydrophobicContact CD1-CB 4.14Å; Y459-L469 HydrophobicContact CD1-CD1 4.22Å; Y459-L469 HydrophobicContact CD2-CD1 4.43Å; Y459-L469 HydrophobicContact CE1-CB 3.83Å; Y459-L469 HydrophobicContact CE1-CD1 3.73Å; Y459-L469 HydrophobicContact CE1-CG 4.37Å; Y459-L469 HydrophobicContact CE2-CD1 3.94Å; L469-M472 HydrophobicContact CD2-CE 4.48Å |
| 470 | I | 89.7 | Confident | 85.9 | Confident | 77 Ų | 77 | 71 Ų | 71 | 40% | 0.395 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -53.6 | 177.9 | -49.8 | 173.5 | 0 | 0 | 0 | 109.3 | K443 F458 H460 E468 C510 | K443-I470 HydrophobicContact CD-CD1 4Å; F458-I470 HydrophobicContact CB-CB 4.41Å; F458-I470 HydrophobicContact CB-CD1 4.44Å; F458-I470 PolarHBondContact O-N 3.34Å; H460-I470 HydrophobicContact CB-CD1 3.71Å; H460-I470 HydrophobicContact CB-CG1 3.82Å; E468-I470 PolarHBondContact O-N 2.92Å; I470-C510 HydrophobicContact CG2-CB 4.39Å |
| 471 | K | 90.9 | Very high | 86 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 36% | 0.357 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 155.8 | -174.2 | -159.1 | 173.3 | -175.1 | 173.4 | 0 | 110.4 | F458 F473 C510 | F458-K471 HydrophobicContact CD2-CB 4.29Å; F458-K471 WeakPolarHBondContact CD2-O 3.12Å; F458-K471 PolarHBondContact N-O 3.22Å; K471-F473 HydrophobicContact CD-CE1 3.99Å; K471-F473 HydrophobicContact CD-CZ 4.18Å; K471-C510 HydrophobicContact CB-CB 3.81Å; K471-C510 HydrophobicContact CD-CB 3.7Å; K471-C510 WeakPolarHBondContact CD-O 3.37Å; K471-C510 WeakPolarHBondContact CE-O 3.22Å; K471-C510 HydrophobicContact CG-CB 4.43Å; K471-C510 PolarHBondContact NZ-O 3.47Å |
| 472 | M | 91.1 | Very high | 86.3 | Confident | 78 Ų | 78 | 71.6 Ų | 71.6 | 38% | 0.384 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.2 | 172.3 | -176.5 | -179.7 | -77.8 | 0 | 0 | 108.2 | A456 S457 L469 | A456-M472 CarbonylContact O-C 3.43Å; A456-M472 WeakPolarHBondContact O-CA 3.17Å; S457-M472 WeakPolarHBondContact OG-CE 3.29Å; L469-M472 HydrophobicContact CD2-CE 4.48Å |
| 473 | F | 90.1 | Very high | 86.8 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.6 | 166.9 | -65.4 | -50.6 | 0 | 0 | 0 | 108.9 | N455 A456 F458 K471 Q476 V505 C510 | N455-F473 CarbonylContact C-O 3.58Å; N455-F473 WeakPolarHBondContact CA-O 3.25Å; A456-F473 HydrophobicContact CB-CB 4.38Å; A456-F473 PolarHBondContact N-O 2.79Å; A456-F473 PolarHBondContact O-N 3.36Å; F458-F473 HydrophobicContact CD2-CD2 4.4Å; F458-F473 HydrophobicContact CD2-CE2 4.33Å; F458-F473 AromaticContact CE2-CD2 3.19Å; F458-F473 HydrophobicContact CE2-CD2 3.19Å; F458-F473 AromaticContact CE2-CE2 3.29Å; F458-F473 HydrophobicContact CE2-CE2 3.29Å; F458-F473 HydrophobicContact CE2-CG 4.12Å; F458-F473 HydrophobicContact CE2-CZ 4.32Å; F458-F473 AromaticContact CZ-CD2 3.53Å; F458-F473 HydrophobicContact CZ-CD2 3.53Å; F458-F473 AromaticContact CZ-CE2 3.6Å; F458-F473 HydrophobicContact CZ-CE2 3.6Å; K471-F473 HydrophobicContact CD-CE1 3.99Å; K471-F473 HydrophobicContact CD-CZ 4.18Å; F473-Q476 HydrophobicContact CB-CG 4.05Å; F473-V505 HydrophobicContact CE2-CG1 3.83Å; F473-V505 HydrophobicContact CE2-CG2 4.07Å; F473-V505 HydrophobicContact CZ-CG1 4.48Å; F473-C510 WeakPolarHBondContact CZ-O 3.43Å |
| 474 | D | 87.9 | Confident | 87.6 | Confident | 96 Ų | 96 | 62.5 Ų | 62.5 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 155.8 | 179.4 | -59 | -42.2 | 0 | 0 | 0 | 111.7 | N455 Q476 | N455-D474 VanDerWaalsContact OD1-CA 3.3Å; N455-D474 WeakPolarHBondContact OD1-CA 3.38Å; D474-Q476 PolarHBondContact O-N 3.02Å; D474-Q476 PolarHBondContact O-NE2 2.99Å |
| 475 | K | 84.3 | Confident | 88.4 | Confident | 158 Ų | 158 | 58.8 Ų | 58.8 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.6 | 46 | 168.1 | -57.1 | 178.6 | -177.7 | 176.6 | 0 | 114.7 | I454 N455 | I454-K475 CarbonylContact O-C 3.48Å; I454-K475 PolarHBondContact O-N 3.1Å; N455-K475 PolarHBondContact OD1-N 3Å; N455-K475 VanDerWaalsContact OD1-N 3.11Å |
| 476 | Q | 84.7 | Confident | 89.1 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 16% | 0.159 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 149.4 | 171.1 | -56.5 | -56 | -56.3 | 0 | 0 | 110.8 | I454 A456 F473 D474 A478 | I454-Q476 WeakPolarHBondContact CB-O 3.41Å; I454-Q476 WeakPolarHBondContact O-CA 3.39Å; I454-Q476 PolarHBondContact O-N 2.71Å; A456-Q476 HydrophobicContact CB-CG 4.34Å; F473-Q476 HydrophobicContact CB-CG 4.05Å; D474-Q476 PolarHBondContact O-N 3.02Å; D474-Q476 PolarHBondContact O-NE2 2.99Å; Q476-A478 VanDerWaalsContact C-N 3.31Å |
| 477 | Q | 84.3 | Confident | 89.3 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | trans | -96.4 | 22.7 | 172.3 | -64.7 | -175.3 | 5.3 | 0 | 0 | 112.2 | G494 A501 | Q477-G494 WeakPolarHBondContact O-CA 3.48Å; Q477-A501 HydrophobicContact CB-CB 4.3Å | ||
| 478 | A | 86.4 | Confident | 89.4 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | trans | -91.3 | 136.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L447 I454 Q476 L492 A493 | L447-A478 HydrophobicContact CD1-CB 4.29Å; I454-A478 WeakPolarHBondContact CD1-O 3.45Å; I454-A478 WeakPolarHBondContact CG2-O 3.43Å; Q476-A478 VanDerWaalsContact C-N 3.31Å; A478-L492 HydrophobicContact CB-CB 3.64Å; A478-A493 WeakPolarHBondContact CA-O 3.35Å | ||
| 479 | N | 90.3 | Very high | 89.6 | Confident | 57 Ų | 57 | 58.2 Ų | 58.2 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | trans | -113.9 | -17.8 | 173.5 | 61.8 | 14.6 | 0 | 0 | 0 | 112.8 | A493 L495 | N479-A493 PolarHBondContact N-O 2.88Å; N479-A493 PolarHBondContact OD1-O 3.19Å; N479-L495 PolarHBondContact ND2-O 2.77Å; N479-L495 PolarHBondContact OD1-N 3.47Å | ||
| 480 | S | 90.9 | Very high | 89.8 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.9 | -174.2 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | F482 A493 | S480-F482 VanDerWaalsContact CB-CE2 3.47Å; S480-A493 PolarHBondContact N-O 2.92Å; S480-A493 PolarHBondContact O-N 3.19Å |
| 481 | I | 94.2 | Very high | 90 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.3 | 178.8 | -59.9 | 165.9 | 0 | 0 | 0 | 109.5 | A434 A436 A445 L447 M490 L492 | A434-I481 HydrophobicContact CB-CD1 4.22Å; A434-I481 HydrophobicContact CB-CG1 4.43Å; A436-I481 HydrophobicContact CB-CB 3.88Å; A436-I481 HydrophobicContact CB-CD1 4.27Å; A436-I481 HydrophobicContact CB-CG2 3.7Å; A445-I481 HydrophobicContact CB-CD1 3.96Å; A445-I481 HydrophobicContact CB-CG2 4.47Å; L447-I481 HydrophobicContact CD1-CD1 4.23Å; L447-I481 HydrophobicContact CD1-CG1 3.7Å; L447-I481 HydrophobicContact CD2-CG1 4.42Å; L447-I481 HydrophobicContact CG-CD1 3.72Å; L447-I481 HydrophobicContact CG-CG1 3.7Å; I481-M490 HydrophobicContact CB-CE 4.47Å; I481-M490 HydrophobicContact CG2-CE 3.22Å; I481-L492 HydrophobicContact CG1-CD2 3.93Å; I481-L492 HydrophobicContact CG2-CD2 4.47Å |
| 482 | F | 94.6 | Very high | 90.1 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 25% | 0.25 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 111.1 | 175.8 | -64.7 | -86.6 | 0 | 0 | 0 | 110.9 | S480 M490 V491 A493 L495 V524 W526 | S480-F482 VanDerWaalsContact CB-CE2 3.47Å; F482-M490 CarbonylContact O-C 3.58Å; F482-M490 WeakPolarHBondContact O-CA 3.45Å; F482-V491 HydrophobicContact CB-CB 4.49Å; F482-V491 PolarHBondContact N-O 2.81Å; F482-V491 PolarHBondContact O-N 3.42Å; F482-A493 HydrophobicContact CD2-CB 4.14Å; F482-A493 HydrophobicContact CE2-CB 4.18Å; F482-L495 HydrophobicContact CE2-CD1 3.6Å; F482-L495 HydrophobicContact CE2-CG 4.34Å; F482-L495 HydrophobicContact CZ-CD1 3.67Å; F482-V524 HydrophobicContact CB-CG1 4.1Å; F482-V524 HydrophobicContact CD1-CB 4.43Å; F482-V524 HydrophobicContact CD1-CG1 4.37Å; F482-V524 HydrophobicContact CD2-CB 3.88Å; F482-V524 HydrophobicContact CD2-CG1 3.9Å; F482-V524 HydrophobicContact CE1-CB 4.44Å; F482-V524 WeakPolarHBondContact CE1-O 3.45Å; F482-V524 HydrophobicContact CE2-CB 3.89Å; F482-V524 HydrophobicContact CE2-CG1 4.42Å; F482-V524 HydrophobicContact CE2-CG2 4.42Å; F482-V524 HydrophobicContact CG-CB 4.16Å; F482-V524 HydrophobicContact CG-CG1 3.86Å; F482-V524 HydrophobicContact CZ-CB 4.19Å; F482-W526 PolarHBondContact O-NE1 3.03Å |
| 483 | W | 94.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 43 Ų | 43 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 145.4 | 177.3 | -72.1 | 87.1 | 0 | 0 | 0 | 112.4 | A436 E438 P439 A445 M490 T507 W526 | A436-W483 PolarHBondContact O-NE1 2.95Å; E438-W483 HydrophobicContact CB-CD2 4.48Å; E438-W483 HydrophobicContact CB-CE3 4.08Å; E438-W483 HydrophobicContact CB-CH2 3.96Å; E438-W483 HydrophobicContact CB-CZ2 4.4Å; E438-W483 HydrophobicContact CB-CZ3 3.8Å; E438-W483 HydrophobicContact CG-CE3 4.04Å; E438-W483 HydrophobicContact CG-CH2 4.43Å; E438-W483 HydrophobicContact CG-CZ3 3.81Å; P439-W483 HydrophobicContact CG-CB 3.79Å; A445-W483 HydrophobicContact CB-CZ2 3.71Å; W483-M490 HydrophobicContact CD2-CB 3.91Å; W483-M490 HydrophobicContact CD2-CE 4.49Å; W483-M490 HydrophobicContact CD2-SD 4.45Å; W483-M490 HydrophobicContact CE3-CB 3.92Å; W483-M490 HydrophobicContact CE3-SD 4.5Å; W483-M490 HydrophobicContact CG-CB 4.27Å; W483-M490 HydrophobicContact CH2-SD 3.91Å; W483-M490 HydrophobicContact CZ2-CE 4.02Å; W483-M490 HydrophobicContact CZ2-SD 3.8Å; W483-M490 HydrophobicContact CZ3-CB 4.45Å; W483-M490 HydrophobicContact CZ3-SD 4.25Å; W483-T507 HydrophobicContact CE3-CG2 4.38Å; W483-T507 HydrophobicContact CH2-CG2 3.43Å; W483-T507 VanDerWaalsContact CH2-CG2 3.43Å; W483-T507 HydrophobicContact CZ2-CG2 4.46Å; W483-T507 HydrophobicContact CZ3-CG2 3.36Å; W483-W526 VanDerWaalsContact O-CD1 3.29Å |
| 484 | S | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -63 | 136.6 | 168.5 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | P439 Q486 G487 F489 G530 | P439-S484 WeakPolarHBondContact CG-O 3.42Å; S484-Q486 PolarHBondContact O-N 3.3Å; S484-Q486 VanDerWaalsContact O-N 3.08Å; S484-G487 PolarHBondContact O-N 2.72Å; S484-F489 WeakPolarHBondContact CB-O 3.1Å; S484-F489 PolarHBondContact N-O 3.09Å; S484-G530 WeakPolarHBondContact OG-CA 3.44Å; S484-G530 PolarHBondContact OG-O 2.86Å | ||
| 485 | P | 89.7 | Confident | 90.1 | Very high | 25 Ų | 25 | 38.1 Ų | 38.1 | 16% | 0.162 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -23.5 | 176.8 | -30.2 | 37 | 0 | 0 | 0 | 115.1 | R388 N440 G487 W526 | R388-P485 PolarHBondContact NH1-O 2.93Å; N440-P485 PolarHBondContact ND2-O 3.05Å; P485-G487 VanDerWaalsContact C-N 3.33Å; P485-W526 HydrophobicContact CG-CB 4.11Å |
| 486 | Q | 85.5 | Confident | 89.8 | Confident | 147 Ų | 147 | 39.2 Ų | 39.2 | 69% | 0.687 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7.7 | 174.4 | -66.4 | -157.7 | 16.5 | 0 | 0 | 113.8 | S484 T529 | S484-Q486 PolarHBondContact O-N 3.3Å; S484-Q486 VanDerWaalsContact O-N 3.08Å; Q486-T529 VanDerWaalsContact CD-O 3.25Å; Q486-T529 VanDerWaalsContact CG-O 3.29Å; Q486-T529 WeakPolarHBondContact CG-O 3.18Å; Q486-T529 PolarHBondContact NE2-O 2.95Å |
| 487 | G | 87.7 | Confident | 89.3 | Confident | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 79.7 | -163.4 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S484 P485 F489 | S484-G487 PolarHBondContact O-N 2.72Å; P485-G487 VanDerWaalsContact C-N 3.33Å; G487-F489 PolarHBondContact O-N 2.87Å |
| 488 | Q | 88.9 | Confident | 88.7 | Confident | 80 Ų | 80 | 40.7 Ų | 40.7 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 63.2 | -57.9 | -179 | -173 | 176 | 5.1 | 0 | 0 | 115.6 | E438 D506 T507 | E438-Q488 PolarHBondContact OE1-N 2.79Å; E438-Q488 VanDerWaalsContact OE1-N 3.08Å; Q488-D506 WeakPolarHBondContact CG-OD1 3.28Å; Q488-D506 PolarHBondContact NE2-OD1 3.13Å; Q488-D506 PolarHBondContact NE2-OD2 2.76Å; Q488-D506 VanDerWaalsContact NE2-OD2 3.17Å; Q488-T507 WeakPolarHBondContact CA-OG1 3.3Å; Q488-T507 VanDerWaalsContact O-CB 3.3Å; Q488-T507 WeakPolarHBondContact O-CB 3.31Å; Q488-T507 WeakPolarHBondContact O-CG2 3.27Å; Q488-T507 PolarHBondContact O-N 3.16Å; Q488-T507 PolarHBondContact O-OG1 3.21Å |
| 489 | F | 93.2 | Very high | 88 | Confident | 33 Ų | 33 | 44.6 Ų | 44.6 | 15% | 0.145 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 148.4 | -177.3 | -55.1 | -65.8 | 0 | 0 | 0 | 111.9 | S484 G487 D506 M513 W526 F553 | S484-F489 WeakPolarHBondContact CB-O 3.1Å; S484-F489 PolarHBondContact N-O 3.09Å; G487-F489 PolarHBondContact O-N 2.87Å; F489-D506 HydrophobicContact CD1-CB 4.21Å; F489-D506 HydrophobicContact CE1-CB 4.18Å; F489-M513 HydrophobicContact CD1-CE 3.41Å; F489-M513 VanDerWaalsContact CD1-CE 3.41Å; F489-M513 HydrophobicContact CD1-SD 3.95Å; F489-M513 HydrophobicContact CE1-CE 3.9Å; F489-M513 HydrophobicContact CE1-SD 3.79Å; F489-M513 HydrophobicContact CG-CE 4.37Å; F489-W526 HydrophobicContact CB-CH2 3.84Å; F489-W526 HydrophobicContact CB-CZ2 4.38Å; F489-F553 HydrophobicContact CD1-CD2 4.14Å; F489-F553 HydrophobicContact CD2-CB 4.36Å; F489-F553 AromaticContact CD2-CD2 3.88Å; F489-F553 HydrophobicContact CD2-CD2 3.88Å; F489-F553 HydrophobicContact CD2-CG 4.39Å; F489-F553 AromaticContact CE1-CD2 3.85Å; F489-F553 HydrophobicContact CE1-CD2 3.85Å; F489-F553 HydrophobicContact CE1-CE2 4.06Å; F489-F553 AromaticContact CE2-CD2 3.58Å; F489-F553 HydrophobicContact CE2-CD2 3.58Å; F489-F553 AromaticContact CE2-CE2 3.89Å; F489-F553 HydrophobicContact CE2-CE2 3.89Å; F489-F553 HydrophobicContact CE2-CG 4.33Å; F489-F553 HydrophobicContact CG-CD2 4.14Å; F489-F553 AromaticContact CZ-CD2 3.56Å; F489-F553 HydrophobicContact CZ-CD2 3.56Å; F489-F553 AromaticContact CZ-CE2 3.56Å; F489-F553 HydrophobicContact CZ-CE2 3.56Å |
| 490 | M | 92.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 154.8 | 173.3 | 66.2 | -174.8 | -60.8 | 0 | 0 | 111.6 | A445 F458 I481 F482 W483 L492 V505 T507 | A445-M490 HydrophobicContact CB-CE 3.57Å; A445-M490 HydrophobicContact CB-SD 4.28Å; F458-M490 HydrophobicContact CD1-SD 4Å; F458-M490 HydrophobicContact CE1-CE 3.97Å; F458-M490 HydrophobicContact CE1-SD 3.4Å; F458-M490 WeakPolarHBondContact CE1-SD 2.93Å; F458-M490 HydrophobicContact CZ-SD 4.41Å; I481-M490 HydrophobicContact CB-CE 4.47Å; I481-M490 HydrophobicContact CG2-CE 3.22Å; F482-M490 CarbonylContact O-C 3.58Å; F482-M490 WeakPolarHBondContact O-CA 3.45Å; W483-M490 HydrophobicContact CD2-CB 3.91Å; W483-M490 HydrophobicContact CD2-CE 4.49Å; W483-M490 HydrophobicContact CD2-SD 4.45Å; W483-M490 HydrophobicContact CE3-CB 3.92Å; W483-M490 HydrophobicContact CE3-SD 4.5Å; W483-M490 HydrophobicContact CG-CB 4.27Å; W483-M490 HydrophobicContact CH2-SD 3.91Å; W483-M490 HydrophobicContact CZ2-CE 4.02Å; W483-M490 HydrophobicContact CZ2-SD 3.8Å; W483-M490 HydrophobicContact CZ3-CB 4.45Å; W483-M490 HydrophobicContact CZ3-SD 4.25Å; M490-L492 HydrophobicContact CE-CD2 3.6Å; M490-L492 HydrophobicContact CE-CG 4.39Å; M490-V505 HydrophobicContact CG-CB 3.79Å; M490-V505 HydrophobicContact CG-CG1 4.35Å; M490-V505 PolarHBondContact N-O 3.35Å; M490-V505 PolarHBondContact O-N 2.97Å; M490-V505 HydrophobicContact SD-CB 4.44Å; M490-V505 HydrophobicContact SD-CG1 4.48Å; M490-T507 HydrophobicContact CG-CG2 3.91Å; M490-T507 HydrophobicContact SD-CG2 3.45Å; M490-T507 WeakPolarHBondContact SD-CG2 3.22Å |
| 491 | V | 94.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.7 | 171 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | F482 A493 L502 A503 F504 W526 V533 | F482-V491 HydrophobicContact CB-CB 4.49Å; F482-V491 PolarHBondContact N-O 2.81Å; F482-V491 PolarHBondContact O-N 3.42Å; V491-A493 HydrophobicContact CG1-CB 4.36Å; V491-L502 HydrophobicContact CG1-CB 4.35Å; V491-L502 HydrophobicContact CG1-CD2 4.17Å; V491-A503 WeakPolarHBondContact CA-O 3.28Å; V491-F504 HydrophobicContact CG2-CD1 3.7Å; V491-F504 HydrophobicContact CG2-CE1 3.6Å; V491-F504 HydrophobicContact CG2-CZ 4.36Å; V491-W526 HydrophobicContact CG2-CH2 4.37Å; V491-W526 HydrophobicContact CG2-CZ2 3.48Å; V491-W526 VanDerWaalsContact CG2-CZ2 3.48Å; V491-V533 HydrophobicContact CG2-CG1 4.19Å; V491-V533 HydrophobicContact CG2-CG2 4.05Å |
| 492 | L | 93 | Very high | 87.2 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 110.8 | 164.6 | -61.4 | -179.9 | 0 | 0 | 0 | 107 | L447 A456 F458 A478 I481 M490 A503 V505 | L447-L492 HydrophobicContact CD2-CD2 4.22Å; A456-L492 HydrophobicContact CB-CD1 3.81Å; F458-L492 HydrophobicContact CZ-CD1 4.42Å; A478-L492 HydrophobicContact CB-CB 3.64Å; I481-L492 HydrophobicContact CG1-CD2 3.93Å; I481-L492 HydrophobicContact CG2-CD2 4.47Å; M490-L492 HydrophobicContact CE-CD2 3.6Å; M490-L492 HydrophobicContact CE-CG 4.39Å; L492-A503 HydrophobicContact CB-CB 4.26Å; L492-A503 PolarHBondContact N-O 2.84Å; L492-A503 PolarHBondContact O-N 3.1Å; L492-V505 HydrophobicContact CD1-CG2 4.02Å; L492-V505 HydrophobicContact CG-CG2 4.31Å |
| 493 | A | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A478 N479 S480 F482 V491 L495 L502 V524 | A478-A493 WeakPolarHBondContact CA-O 3.35Å; N479-A493 PolarHBondContact N-O 2.88Å; N479-A493 PolarHBondContact OD1-O 3.19Å; S480-A493 PolarHBondContact N-O 2.92Å; S480-A493 PolarHBondContact O-N 3.19Å; F482-A493 HydrophobicContact CD2-CB 4.14Å; F482-A493 HydrophobicContact CE2-CB 4.18Å; V491-A493 HydrophobicContact CG1-CB 4.36Å; A493-L495 HydrophobicContact CB-CD2 4.06Å; A493-L495 HydrophobicContact CB-CG 4.01Å; A493-L495 PolarHBondContact O-N 2.78Å; A493-L502 HydrophobicContact CB-CD2 3.61Å; A493-V524 HydrophobicContact CB-CG2 4.05Å |
| 494 | G | 90.2 | Very high | 87.1 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | trans | -90.4 | 71.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q477 A501 | Q477-G494 WeakPolarHBondContact O-CA 3.48Å; G494-A501 PolarHBondContact N-O 2.9Å | ||
| 495 | L | 86.5 | Confident | 87.1 | Confident | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.089 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 147.4 | -176.9 | -64.8 | -176.9 | 0 | 0 | 0 | 112 | N479 F482 A493 S497 A521 V524 | N479-L495 PolarHBondContact ND2-O 2.77Å; N479-L495 PolarHBondContact OD1-N 3.47Å; F482-L495 HydrophobicContact CE2-CD1 3.6Å; F482-L495 HydrophobicContact CE2-CG 4.34Å; F482-L495 HydrophobicContact CZ-CD1 3.67Å; A493-L495 HydrophobicContact CB-CD2 4.06Å; A493-L495 HydrophobicContact CB-CG 4.01Å; A493-L495 PolarHBondContact O-N 2.78Å; L495-S497 PolarHBondContact O-N 2.9Å; L495-A521 HydrophobicContact CD2-CB 4.28Å; L495-V524 HydrophobicContact CD2-CG2 3.65Å |
| 496 | R | 79.4 | Confident | 87.2 | Confident | 182 Ų | 182 | 36.8 Ų | 36.8 | 69% | 0.687 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 16.1 | 179.2 | -51.2 | 179.7 | -176.3 | -174.2 | -1.8 | 114.2 | A521 | R496-A521 PolarHBondContact N-O 3.4Š|
| 497 | S | 73.4 | Confident | 87.3 | Confident | 50 Ų | 50 | 29.9 Ų | 29.9 | 35% | 0.35 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -95.6 | 147.6 | 168.3 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | L495 N499 G500 | L495-S497 PolarHBondContact O-N 2.9Å; S497-N499 VanDerWaalsContact C-N 3.28Å; S497-N499 PolarHBondContact O-N 2.81Å; S497-G500 PolarHBondContact O-N 2.9Å |
| 498 | M | 71 | Confident | 87.1 | Confident | 120 Ų | 120 | 32.9 Ų | 32.9 | 59% | 0.591 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -44.6 | -178.7 | -160.2 | 170 | -152.2 | 0 | 0 | 111.1 | G500 Y519 | M498-G500 PolarHBondContact O-N 2.86Å; M498-Y519 VanDerWaalsContact CE-OH 3.23Å; M498-Y519 WeakPolarHBondContact CE-OH 3.47Å; M498-Y519 HydrophobicContact CG-CE2 3.68Å; M498-Y519 WeakPolarHBondContact CG-OH 3.29Å; M498-Y519 WeakPolarHBondContact O-CD2 3.42Å; M498-Y519 WeakPolarHBondContact O-CE2 3.49Å |
| 499 | N | 72.7 | Confident | 86.9 | Confident | 84 Ų | 84 | 34.6 Ų | 34.6 | 45% | 0.449 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -20.4 | -176.3 | -61.2 | -6 | 0 | 0 | 0 | 114 | S497 A501 | S497-N499 VanDerWaalsContact C-N 3.28Å; S497-N499 PolarHBondContact O-N 2.81Å; N499-A501 VanDerWaalsContact C-N 3.3Å; N499-A501 PolarHBondContact O-N 3.47Å |
| 500 | G | 78.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | 50.2 | 43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S497 M498 H518 | S497-G500 PolarHBondContact O-N 2.9Å; M498-G500 PolarHBondContact O-N 2.86Å; G500-H518 VanDerWaalsContact CA-O 3.31Å; G500-H518 WeakPolarHBondContact CA-O 3.09Å; G500-H518 PolarHBondContact O-N 3.43Å | ||
| 501 | A | 88.1 | Confident | 86.4 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 131.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q477 G494 N499 | Q477-A501 HydrophobicContact CB-CB 4.3Å; G494-A501 PolarHBondContact N-O 2.9Å; N499-A501 VanDerWaalsContact C-N 3.3Å; N499-A501 PolarHBondContact O-N 3.47Å |
| 502 | L | 92.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 115 | 178 | -59.4 | 172.5 | 0 | 0 | 0 | 108.9 | V491 A493 F504 I515 A516 H518 V524 T535 W551 | V491-L502 HydrophobicContact CG1-CB 4.35Å; V491-L502 HydrophobicContact CG1-CD2 4.17Å; A493-L502 HydrophobicContact CB-CD2 3.61Å; L502-F504 HydrophobicContact CB-CE2 4.14Å; L502-I515 WeakPolarHBondContact O-CA 3.41Å; L502-A516 WeakPolarHBondContact CA-O 3.45Å; L502-A516 PolarHBondContact N-O 2.9Å; L502-A516 PolarHBondContact O-N 3.02Å; L502-A516 VanDerWaalsContact O-O 3.13Å; L502-H518 HydrophobicContact CD1-CB 3.91Å; L502-V524 HydrophobicContact CD2-CG2 4.15Å; L502-T535 HydrophobicContact CD1-CG2 3.68Å; L502-T535 HydrophobicContact CD2-CG2 4.44Å; L502-W551 HydrophobicContact CD1-CZ2 4.2Å |
| 503 | A | 92.8 | Very high | 86 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V491 L492 M512 | V491-A503 WeakPolarHBondContact CA-O 3.28Å; L492-A503 HydrophobicContact CB-CB 4.26Å; L492-A503 PolarHBondContact N-O 2.84Å; L492-A503 PolarHBondContact O-N 3.1Å; A503-M512 HydrophobicContact CB-CE 3.91Å; A503-M512 HydrophobicContact CB-SD 4.19Å |
| 504 | F | 94.1 | Very high | 86 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.5 | 177.6 | -65.4 | -98 | 0 | 0 | 0 | 109.1 | V491 L502 M513 N514 A516 V533 W551 G555 | V491-F504 HydrophobicContact CG2-CD1 3.7Å; V491-F504 HydrophobicContact CG2-CE1 3.6Å; V491-F504 HydrophobicContact CG2-CZ 4.36Å; L502-F504 HydrophobicContact CB-CE2 4.14Å; F504-M513 HydrophobicContact CB-CE 4.18Å; F504-M513 PolarHBondContact O-N 3.3Å; F504-N514 PolarHBondContact N-O 3.35Å; F504-A516 HydrophobicContact CE2-CB 4.1Å; F504-V533 HydrophobicContact CE1-CB 4.29Å; F504-V533 HydrophobicContact CE1-CG2 4.01Å; F504-W551 HydrophobicContact CZ-CB 4.14Å; F504-W551 HydrophobicContact CZ-CD2 4.41Å; F504-W551 HydrophobicContact CZ-CG 4.18Å; F504-G555 VanDerWaalsContact CD2-CA 3.47Å; F504-G555 VanDerWaalsContact CE2-CA 3.45Å |
| 505 | V | 92.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133 | -174.8 | 179 | 0 | 0 | 0 | 0 | 109.8 | F458 F473 M490 L492 T511 | F458-V505 HydrophobicContact CE1-CG1 4.42Å; F458-V505 HydrophobicContact CZ-CG1 4.18Å; F473-V505 HydrophobicContact CE2-CG1 3.83Å; F473-V505 HydrophobicContact CE2-CG2 4.07Å; F473-V505 HydrophobicContact CZ-CG1 4.48Å; M490-V505 HydrophobicContact CG-CB 3.79Å; M490-V505 HydrophobicContact CG-CG1 4.35Å; M490-V505 PolarHBondContact N-O 3.35Å; M490-V505 PolarHBondContact O-N 2.97Å; M490-V505 HydrophobicContact SD-CB 4.44Å; M490-V505 HydrophobicContact SD-CG1 4.48Å; L492-V505 HydrophobicContact CD1-CG2 4.02Å; L492-V505 HydrophobicContact CG-CG2 4.31Å; V505-T511 WeakPolarHBondContact CA-O 3.45Å |
| 506 | D | 93 | Very high | 86.3 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.3 | 165.7 | -170.1 | -15.1 | 0 | 0 | 0 | 109.2 | Q488 F489 S508 C510 T511 M513 | Q488-D506 WeakPolarHBondContact CG-OD1 3.28Å; Q488-D506 PolarHBondContact NE2-OD1 3.13Å; Q488-D506 PolarHBondContact NE2-OD2 2.76Å; Q488-D506 VanDerWaalsContact NE2-OD2 3.17Å; F489-D506 HydrophobicContact CD1-CB 4.21Å; F489-D506 HydrophobicContact CE1-CB 4.18Å; D506-S508 PolarHBondContact OD1-N 2.81Å; D506-S508 PolarHBondContact OD1-OG 3.46Å; D506-S508 VanDerWaalsContact OD1-OG 3.13Å; D506-S508 PolarHBondContact OD2-OG 3.38Å; D506-C510 CarbonylContact O-C 3.42Å; D506-C510 WeakPolarHBondContact O-CA 3.27Å; D506-C510 PolarHBondContact O-N 2.88Å; D506-T511 PolarHBondContact N-O 2.92Å; D506-T511 PolarHBondContact O-N 2.85Å; D506-M513 HydrophobicContact CB-CE 4.35Å; D506-M513 HydrophobicContact CB-CG 4.04Å; D506-M513 HydrophobicContact CB-SD 3.95Å |
| 507 | T | 86.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -2 | -176.5 | 68 | 0 | 0 | 0 | 0 | 114.2 | K443 W483 Q488 M490 | K443-T507 WeakPolarHBondContact CE-O 3.38Å; K443-T507 WeakPolarHBondContact CE-OG1 3.24Å; W483-T507 HydrophobicContact CE3-CG2 4.38Å; W483-T507 HydrophobicContact CH2-CG2 3.43Å; W483-T507 VanDerWaalsContact CH2-CG2 3.43Å; W483-T507 HydrophobicContact CZ2-CG2 4.46Å; W483-T507 HydrophobicContact CZ3-CG2 3.36Å; Q488-T507 WeakPolarHBondContact CA-OG1 3.3Å; Q488-T507 VanDerWaalsContact O-CB 3.3Å; Q488-T507 WeakPolarHBondContact O-CB 3.31Å; Q488-T507 WeakPolarHBondContact O-CG2 3.27Å; Q488-T507 PolarHBondContact O-N 3.16Å; Q488-T507 PolarHBondContact O-OG1 3.21Å; M490-T507 HydrophobicContact CG-CG2 3.91Å; M490-T507 HydrophobicContact SD-CG2 3.45Å; M490-T507 WeakPolarHBondContact SD-CG2 3.22Å |
| 508 | S | 84.6 | Confident | 87.5 | Confident | 64 Ų | 64 | 44.8 Ų | 44.8 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -47.3 | 169.2 | 67.2 | 0 | 0 | 0 | 0 | 110.5 | D506 | D506-S508 PolarHBondContact OD1-N 2.81Å; D506-S508 PolarHBondContact OD1-OG 3.46Å; D506-S508 VanDerWaalsContact OD1-OG 3.13Å; D506-S508 PolarHBondContact OD2-OG 3.38Å |
| 509 | D | 83.2 | Confident | 88.3 | Confident | 117 Ų | 117 | 43.5 Ų | 43.5 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 0.2 | -178.7 | -59.9 | -14.6 | 0 | 0 | 0 | 112.2 | T511 | D509-T511 VanDerWaalsContact C-N 3.33Å; D509-T511 HydrophobicContact CB-CG2 3.87Å; D509-T511 PolarHBondContact O-N 2.84Å |
| 510 | C | 86.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 54.9 | -171.4 | -68.8 | 0 | 0 | 0 | 0 | 110.9 | F458 I470 K471 F473 D506 | F458-C510 HydrophobicContact CD2-CB 4.46Å; I470-C510 HydrophobicContact CG2-CB 4.39Å; K471-C510 HydrophobicContact CB-CB 3.81Å; K471-C510 HydrophobicContact CD-CB 3.7Å; K471-C510 WeakPolarHBondContact CD-O 3.37Å; K471-C510 WeakPolarHBondContact CE-O 3.22Å; K471-C510 HydrophobicContact CG-CB 4.43Å; K471-C510 PolarHBondContact NZ-O 3.47Å; F473-C510 WeakPolarHBondContact CZ-O 3.43Å; D506-C510 CarbonylContact O-C 3.42Å; D506-C510 WeakPolarHBondContact O-CA 3.27Å; D506-C510 PolarHBondContact O-N 2.88Å |
| 511 | T | 90 | Very high | 89.3 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 36% | 0.356 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.8 | 178.7 | 53.5 | 0 | 0 | 0 | 0 | 109.9 | V505 D506 D509 M513 | V505-T511 WeakPolarHBondContact CA-O 3.45Å; D506-T511 PolarHBondContact N-O 2.92Å; D506-T511 PolarHBondContact O-N 2.85Å; D509-T511 VanDerWaalsContact C-N 3.33Å; D509-T511 HydrophobicContact CB-CG2 3.87Å; D509-T511 PolarHBondContact O-N 2.84Å; T511-M513 PolarHBondContact O-N 2.96Å |
| 512 | M | 88.3 | Confident | 89.3 | Confident | 59 Ų | 59 | 40.4 Ų | 40.4 | 29% | 0.291 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.9 | 172.4 | -169.2 | 174.2 | -73.9 | 0 | 0 | 107.5 | A503 I515 | A503-M512 HydrophobicContact CB-CE 3.91Å; A503-M512 HydrophobicContact CB-SD 4.19Å; M512-I515 HydrophobicContact CG-CG1 4.21Å; M512-I515 HydrophobicContact SD-CD1 3.52Å; M512-I515 VanDerWaalsContact SD-CD1 3.52Å; M512-I515 HydrophobicContact SD-CG1 3.46Å; M512-I515 WeakPolarHBondContact SD-CG1 3.41Å |
| 513 | M | 90.3 | Very high | 89.3 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 32% | 0.32 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -47.9 | -176.7 | -65.8 | -174.5 | -70.4 | 0 | 0 | 111.1 | F489 F504 D506 T511 F553 | F489-M513 HydrophobicContact CD1-CE 3.41Å; F489-M513 VanDerWaalsContact CD1-CE 3.41Å; F489-M513 HydrophobicContact CD1-SD 3.95Å; F489-M513 HydrophobicContact CE1-CE 3.9Å; F489-M513 HydrophobicContact CE1-SD 3.79Å; F489-M513 HydrophobicContact CG-CE 4.37Å; F504-M513 HydrophobicContact CB-CE 4.18Å; F504-M513 PolarHBondContact O-N 3.3Å; D506-M513 HydrophobicContact CB-CE 4.35Å; D506-M513 HydrophobicContact CB-CG 4.04Å; D506-M513 HydrophobicContact CB-SD 3.95Å; T511-M513 PolarHBondContact O-N 2.96Å; M513-F553 WeakPolarHBondContact CE-O 3.46Å |
| 514 | N | 92.6 | Very high | 89.3 | Confident | 67 Ų | 67 | 44 Ų | 44 | 36% | 0.358 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 153.5 | -177.9 | -157.7 | 9 | 0 | 0 | 0 | 111 | F504 Q554 G555 | F504-N514 PolarHBondContact N-O 3.35Å; N514-Q554 WeakPolarHBondContact CB-O 3.1Å; N514-G555 PolarHBondContact ND2-O 3.5Å |
| 515 | I | 91.4 | Very high | 89.2 | Confident | 104 Ų | 104 | 46.9 Ų | 46.9 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.3 | 170.5 | -56.7 | 173.7 | 0 | 0 | 0 | 106.2 | L502 M512 | L502-I515 WeakPolarHBondContact O-CA 3.41Å; M512-I515 HydrophobicContact CG-CG1 4.21Å; M512-I515 HydrophobicContact SD-CD1 3.52Å; M512-I515 VanDerWaalsContact SD-CD1 3.52Å; M512-I515 HydrophobicContact SD-CG1 3.46Å; M512-I515 WeakPolarHBondContact SD-CG1 3.41Å |
| 516 | A | 91.1 | Very high | 89.3 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 160 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L502 F504 W551 | L502-A516 WeakPolarHBondContact CA-O 3.45Å; L502-A516 PolarHBondContact N-O 2.9Å; L502-A516 PolarHBondContact O-N 3.02Å; L502-A516 VanDerWaalsContact O-O 3.13Å; F504-A516 HydrophobicContact CE2-CB 4.1Å; A516-W551 HydrophobicContact CB-CE3 4.15Å; A516-W551 HydrophobicContact CB-CH2 3.55Å; A516-W551 HydrophobicContact CB-CZ2 4.33Å; A516-W551 HydrophobicContact CB-CZ3 3.43Å; A516-W551 VanDerWaalsContact CB-CZ3 3.43Å |
| 517 | E | 89.6 | Confident | 89.2 | Confident | 135 Ų | 135 | 46.8 Ų | 46.8 | 63% | 0.631 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.2 | 177.4 | -65.7 | -178.8 | 163.9 | 0 | 0 | 108.5 | W549 | E517-W549 VanDerWaalsContact O-CZ3 3.25Å; E517-W549 WeakPolarHBondContact O-CZ3 3.16Å |
| 518 | H | 88.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -132.4 | 97.1 | 170.4 | -176.7 | -177.4 | 0 | 0 | 0 | 108.5 | G500 L502 M520 A521 T535 V537 W549 W551 | G500-H518 VanDerWaalsContact CA-O 3.31Å; G500-H518 WeakPolarHBondContact CA-O 3.09Å; G500-H518 PolarHBondContact O-N 3.43Å; L502-H518 HydrophobicContact CD1-CB 3.91Å; H518-M520 PolarHBondContact O-N 3.22Å; H518-A521 HydrophobicContact CB-CB 4.09Å; H518-A521 VanDerWaalsContact O-CB 3.3Å; H518-A521 WeakPolarHBondContact O-CB 3.29Å; H518-A521 PolarHBondContact O-N 2.77Å; H518-A521 VanDerWaalsContact O-N 3.09Å; H518-T535 PolarHBondContact CE1-O 3.44Å; H518-T535 PolarHBondContact CE1-OG1 3.11Å; H518-T535 WeakPolarHBondContact ND1-CB 3.5Å; H518-T535 PolarHBondContact ND1-OG1 3.27Å; H518-V537 VanDerWaalsContact NE2-CG2 3.31Å; H518-V537 WeakPolarHBondContact NE2-CG2 3.27Å; H518-W549 HydrophobicContact CB-CE3 4.33Å; H518-W549 HydrophobicContact CB-CZ3 4.29Å; H518-W549 AromaticContact CD2-CD2 3.73Å; H518-W549 AromaticContact CD2-CE2 3.32Å; H518-W549 AromaticContact CD2-CH2 3.93Å; H518-W549 AromaticContact CD2-CZ2 3.43Å; H518-W549 VanDerWaalsContact CD2-CZ2 3.43Å; H518-W549 WeakPolarHBondContact CD2-CZ2 3.48Å; H518-W549 AromaticContact CD2-NE1 3.63Å; H518-W549 AromaticContact CE1-CD1 3.45Å; H518-W549 VanDerWaalsContact CE1-CD1 3.45Å; H518-W549 AromaticContact CE1-CD2 3.95Å; H518-W549 AromaticContact CE1-CE2 3.96Å; H518-W549 AromaticContact CE1-CG 3.6Å; H518-W549 AromaticContact CE1-NE1 3.68Å; H518-W549 AromaticContact CG-CD2 3.91Å; H518-W549 AromaticContact CG-CE2 3.99Å; H518-W549 AromaticContact ND1-CG 3.93Å; H518-W549 AromaticContact NE2-CD1 3.36Å; H518-W549 AromaticContact NE2-CD2 3.75Å; H518-W549 AromaticContact NE2-CE2 3.31Å; H518-W549 VanDerWaalsContact NE2-CE2 3.31Å; H518-W549 AromaticContact NE2-CG 3.75Å; H518-W549 AromaticContact NE2-CZ2 3.84Å; H518-W549 AromaticContact NE2-NE1 3.07Å; H518-W549 PolarHBondContact NE2-NE1 3.3Å; H518-W551 HydrophobicContact CB-CZ2 4.29Å | ||
| 519 | Y | 87.3 | Confident | 89.3 | Confident | 94 Ų | 94 | 46.5 Ų | 46.5 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 130.6 | -177.5 | -168.3 | -99.6 | 0 | 0 | 0 | 111.8 | M498 A521 | M498-Y519 VanDerWaalsContact CE-OH 3.23Å; M498-Y519 WeakPolarHBondContact CE-OH 3.47Å; M498-Y519 HydrophobicContact CG-CE2 3.68Å; M498-Y519 WeakPolarHBondContact CG-OH 3.29Å; M498-Y519 WeakPolarHBondContact O-CD2 3.42Å; M498-Y519 WeakPolarHBondContact O-CE2 3.49Å; Y519-A521 PolarHBondContact O-N 3.33Å; Y519-A521 VanDerWaalsContact O-N 3.14Å |
| 520 | M | 84.7 | Confident | 89.5 | Confident | 39 Ų | 39 | 41.2 Ų | 41.2 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 24.4 | -179.1 | -70.3 | -175.3 | 152.8 | 0 | 0 | 116 | H518 S522 V537 H542 V544 | H518-M520 PolarHBondContact O-N 3.22Å; M520-S522 PolarHBondContact O-N 3.01Å; M520-S522 VanDerWaalsContact O-N 3.07Å; M520-V537 HydrophobicContact CB-CG1 4.35Å; M520-H542 HydrophobicContact SD-CB 4.26Å; M520-V544 HydrophobicContact SD-CB 4.31Å |
| 521 | A | 88.1 | Confident | 89.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | trans | -51 | 118.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L495 R496 H518 Y519 | L495-A521 HydrophobicContact CD2-CB 4.28Å; R496-A521 PolarHBondContact N-O 3.4Å; H518-A521 HydrophobicContact CB-CB 4.09Å; H518-A521 VanDerWaalsContact O-CB 3.3Å; H518-A521 WeakPolarHBondContact O-CB 3.29Å; H518-A521 PolarHBondContact O-N 2.77Å; H518-A521 VanDerWaalsContact O-N 3.09Å; Y519-A521 PolarHBondContact O-N 3.33Å; Y519-A521 VanDerWaalsContact O-N 3.14Å | ||
| 522 | S | 89.1 | Confident | 89.6 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | trans | -92.2 | -41.9 | 179.9 | 63 | 0 | 0 | 0 | 0 | 111.4 | M520 S536 S538 | M520-S522 PolarHBondContact O-N 3.01Å; M520-S522 VanDerWaalsContact O-N 3.07Å; S522-S536 PolarHBondContact N-O 2.87Å; S522-S536 PolarHBondContact OG-O 3.37Å; S522-S538 PolarHBondContact OG-N 3.22Å | ||
| 523 | D | 90.8 | Very high | 89.9 | Confident | 72 Ų | 72 | 43.2 Ų | 43.2 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.1 | -170.5 | -54.8 | -72.4 | 0 | 0 | 0 | 111.2 | T535 S536 | D523-T535 CarbonylContact O-C 3.51Å; D523-T535 VanDerWaalsContact O-CA 3.31Å; D523-T535 WeakPolarHBondContact O-CA 3.46Å; D523-S536 PolarHBondContact N-O 2.96Å; D523-S536 VanDerWaalsContact N-O 3.17Å; D523-S536 PolarHBondContact O-N 3.05Å |
| 524 | V | 93.6 | Very high | 90.1 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.1 | 174.8 | 171.1 | 0 | 0 | 0 | 0 | 107.6 | F482 A493 L495 L502 V533 V534 T535 | F482-V524 HydrophobicContact CB-CG1 4.1Å; F482-V524 HydrophobicContact CD1-CB 4.43Å; F482-V524 HydrophobicContact CD1-CG1 4.37Å; F482-V524 HydrophobicContact CD2-CB 3.88Å; F482-V524 HydrophobicContact CD2-CG1 3.9Å; F482-V524 HydrophobicContact CE1-CB 4.44Å; F482-V524 WeakPolarHBondContact CE1-O 3.45Å; F482-V524 HydrophobicContact CE2-CB 3.89Å; F482-V524 HydrophobicContact CE2-CG1 4.42Å; F482-V524 HydrophobicContact CE2-CG2 4.42Å; F482-V524 HydrophobicContact CG-CB 4.16Å; F482-V524 HydrophobicContact CG-CG1 3.86Å; F482-V524 HydrophobicContact CZ-CB 4.19Å; A493-V524 HydrophobicContact CB-CG2 4.05Å; L495-V524 HydrophobicContact CD2-CG2 3.65Å; L502-V524 HydrophobicContact CD2-CG2 4.15Å; V524-V533 HydrophobicContact CG1-CG1 3.85Å; V524-V534 WeakPolarHBondContact CA-O 3.48Å; V524-T535 HydrophobicContact CB-CG2 4.4Å; V524-T535 HydrophobicContact CG1-CG2 4.36Å; V524-T535 HydrophobicContact CG2-CG2 3.65Å |
| 525 | E | 93 | Very high | 90.1 | Very high | 62 Ų | 62 | 37.1 Ų | 37.1 | 29% | 0.29 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141 | 174.5 | -161.3 | -178.8 | -169.7 | 0 | 0 | 110.3 | V534 L570 W571 | E525-V534 HydrophobicContact CB-CG1 3.86Å; E525-V534 PolarHBondContact N-O 3.23Å; E525-V534 WeakPolarHBondContact O-CG1 3.2Å; E525-V534 PolarHBondContact O-N 3.04Å; E525-L570 WeakPolarHBondContact OE2-CA 3.46Å; E525-W571 PolarHBondContact OE2-N 2.92Å; E525-W571 VanDerWaalsContact OE2-N 3.08Å |
| 526 | W | 93.7 | Very high | 90.2 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 7% | 0.068 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 140.2 | 170.9 | -78.2 | 88.6 | 0 | 0 | 0 | 109.7 | F482 W483 P485 F489 V491 G530 V533 F553 | F482-W526 PolarHBondContact O-NE1 3.03Å; W483-W526 VanDerWaalsContact O-CD1 3.29Å; P485-W526 HydrophobicContact CG-CB 4.11Å; F489-W526 HydrophobicContact CB-CH2 3.84Å; F489-W526 HydrophobicContact CB-CZ2 4.38Å; V491-W526 HydrophobicContact CG2-CH2 4.37Å; V491-W526 HydrophobicContact CG2-CZ2 3.48Å; V491-W526 VanDerWaalsContact CG2-CZ2 3.48Å; W526-G530 WeakPolarHBondContact CZ3-O 3.31Å; W526-V533 HydrophobicContact CD2-CG2 3.5Å; W526-V533 HydrophobicContact CE3-CG2 3.36Å; W526-V533 HydrophobicContact CG-CG2 4.36Å; W526-V533 HydrophobicContact CH2-CG2 3.37Å; W526-V533 HydrophobicContact CZ2-CG2 3.53Å; W526-V533 HydrophobicContact CZ3-CG2 3.28Å; W526-F553 HydrophobicContact CH2-CB 4.13Å; W526-F553 HydrophobicContact CZ3-CB 3.85Å |
| 527 | D | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -56.4 | 137.7 | 164.1 | 164 | 20.9 | 0 | 0 | 0 | 109.3 | D171 T529 G530 Y532 W571 | D171-D527 VanDerWaalsContact CG-OD1 3.3Å; D527-T529 PolarHBondContact O-N 2.82Å; D527-T529 PolarHBondContact OD1-N 2.93Å; D527-T529 VanDerWaalsContact OD1-N 3.09Å; D527-T529 PolarHBondContact OD2-OG1 2.93Å; D527-G530 WeakPolarHBondContact O-CA 3.34Å; D527-G530 PolarHBondContact O-N 3.19Å; D527-Y532 WeakPolarHBondContact CB-O 3.44Å; D527-Y532 PolarHBondContact N-O 2.96Å; D527-W571 HydrophobicContact CB-CD2 4.12Å; D527-W571 HydrophobicContact CB-CE3 4.41Å; D527-W571 HydrophobicContact CB-CZ2 4.26Å | ||
| 528 | P | 87.6 | Confident | 90.2 | Very high | 39 Ų | 39 | 25.8 Ų | 25.8 | 25% | 0.253 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -29.5 | 172.6 | -32.1 | 33.7 | 0 | 0 | 0 | 115.6 | G530 W571 R574 | P528-G530 VanDerWaalsContact C-N 3.33Å; P528-W571 HydrophobicContact CG-CB 4.33Å; P528-R574 HydrophobicContact CB-CB 4.05Å; P528-R574 HydrophobicContact CB-CG 3.81Å; P528-R574 HydrophobicContact CG-CG 4.35Å |
| 529 | T | 84.9 | Confident | 90.3 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 13% | 0.129 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -14.1 | 175.4 | 80.7 | 0 | 0 | 0 | 0 | 113.6 | D171 Q486 D527 R531 | D171-T529 WeakPolarHBondContact OD2-CG2 3.18Å; Q486-T529 VanDerWaalsContact CD-O 3.25Å; Q486-T529 VanDerWaalsContact CG-O 3.29Å; Q486-T529 WeakPolarHBondContact CG-O 3.18Å; Q486-T529 PolarHBondContact NE2-O 2.95Å; D527-T529 PolarHBondContact O-N 2.82Å; D527-T529 PolarHBondContact OD1-N 2.93Å; D527-T529 VanDerWaalsContact OD1-N 3.09Å; D527-T529 PolarHBondContact OD2-OG1 2.93Å; T529-R531 VanDerWaalsContact C-N 3.27Å; T529-R531 PolarHBondContact O-N 2.96Å; T529-R531 WeakPolarHBondContact OG1-CB 3.09Å; T529-R531 PolarHBondContact OG1-N 3.45Å |
| 530 | G | 87.7 | Confident | 90.3 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 6% | 0.062 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 74.8 | 11 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S484 W526 D527 P528 | S484-G530 WeakPolarHBondContact OG-CA 3.44Å; S484-G530 PolarHBondContact OG-O 2.86Å; W526-G530 WeakPolarHBondContact CZ3-O 3.31Å; D527-G530 WeakPolarHBondContact O-CA 3.34Å; D527-G530 PolarHBondContact O-N 3.19Å; P528-G530 VanDerWaalsContact C-N 3.33Å |
| 531 | R | 87.7 | Confident | 90.3 | Very high | 124 Ų | 124 | 32.1 Ų | 32.1 | 47% | 0.468 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -86.9 | -33.8 | 179.3 | -170.4 | -177.3 | -56.8 | 168.2 | 5.7 | 113 | T529 F553 | T529-R531 VanDerWaalsContact C-N 3.27Å; T529-R531 PolarHBondContact O-N 2.96Å; T529-R531 WeakPolarHBondContact OG1-CB 3.09Å; T529-R531 PolarHBondContact OG1-N 3.45Å; R531-F553 HydrophobicContact CG-CD1 4.37Å; R531-F553 WeakPolarHBondContact O-CB 3.33Å; R531-F553 WeakPolarHBondContact O-CD1 3.49Å; R531-F553 PolarHBondContact O-N 3.47Å |
| 532 | Y | 91.5 | Very high | 90.1 | Very high | 37 Ų | 37 | 34.3 Ų | 34.3 | 15% | 0.145 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 150.7 | -176.7 | -55.7 | -77.4 | 0 | 0 | 0 | 111.2 | N188 D527 W551 L558 | N188-Y532 WeakPolarHBondContact ND2-CD2 3.49Å; N188-Y532 WeakPolarHBondContact ND2-CE2 3.49Å; D527-Y532 WeakPolarHBondContact CB-O 3.44Å; D527-Y532 PolarHBondContact N-O 2.96Å; Y532-W551 CarbonylContact C-O 3.58Å; Y532-W551 VanDerWaalsContact CA-O 3.29Å; Y532-W551 WeakPolarHBondContact CA-O 3.28Å; Y532-L558 HydrophobicContact CD1-CD1 3.5Å; Y532-L558 HydrophobicContact CE1-CD1 3.4Å |
| 533 | V | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131 | 171.1 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | V491 F504 V524 W526 T535 W551 | V491-V533 HydrophobicContact CG2-CG1 4.19Å; V491-V533 HydrophobicContact CG2-CG2 4.05Å; F504-V533 HydrophobicContact CE1-CB 4.29Å; F504-V533 HydrophobicContact CE1-CG2 4.01Å; V524-V533 HydrophobicContact CG1-CG1 3.85Å; W526-V533 HydrophobicContact CD2-CG2 3.5Å; W526-V533 HydrophobicContact CE3-CG2 3.36Å; W526-V533 HydrophobicContact CG-CG2 4.36Å; W526-V533 HydrophobicContact CH2-CG2 3.37Å; W526-V533 HydrophobicContact CZ2-CG2 3.53Å; W526-V533 HydrophobicContact CZ3-CG2 3.28Å; V533-T535 HydrophobicContact CG1-CG2 4.23Å; V533-W551 HydrophobicContact CB-CB 4.3Å; V533-W551 PolarHBondContact N-O 3.44Å; V533-W551 PolarHBondContact O-N 2.64Å |
| 534 | V | 93.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.8 | 169.3 | 71.6 | 0 | 0 | 0 | 0 | 108.6 | V524 E525 Y548 W549 L550 L569 W571 | V524-V534 WeakPolarHBondContact CA-O 3.48Å; E525-V534 HydrophobicContact CB-CG1 3.86Å; E525-V534 PolarHBondContact N-O 3.23Å; E525-V534 WeakPolarHBondContact O-CG1 3.2Å; E525-V534 PolarHBondContact O-N 3.04Å; V534-Y548 HydrophobicContact CG2-CD2 4.21Å; V534-W549 WeakPolarHBondContact CA-O 3.43Å; V534-L550 HydrophobicContact CB-CD1 4.34Å; V534-L569 HydrophobicContact CB-CD2 4.23Å; V534-L569 HydrophobicContact CG1-CD2 3.52Å; V534-L569 HydrophobicContact CG2-CD1 3.79Å; V534-L569 HydrophobicContact CG2-CD2 3.91Å; V534-W571 HydrophobicContact CB-CZ2 4.26Å |
| 535 | T | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.8 | 171.9 | 59.6 | 0 | 0 | 0 | 0 | 107.7 | L502 H518 D523 V524 V533 Y548 W549 W551 | L502-T535 HydrophobicContact CD1-CG2 3.68Å; L502-T535 HydrophobicContact CD2-CG2 4.44Å; H518-T535 PolarHBondContact CE1-O 3.44Å; H518-T535 PolarHBondContact CE1-OG1 3.11Å; H518-T535 WeakPolarHBondContact ND1-CB 3.5Å; H518-T535 PolarHBondContact ND1-OG1 3.27Å; D523-T535 CarbonylContact O-C 3.51Å; D523-T535 VanDerWaalsContact O-CA 3.31Å; D523-T535 WeakPolarHBondContact O-CA 3.46Å; V524-T535 HydrophobicContact CB-CG2 4.4Å; V524-T535 HydrophobicContact CG1-CG2 4.36Å; V524-T535 HydrophobicContact CG2-CG2 3.65Å; V533-T535 HydrophobicContact CG1-CG2 4.23Å; T535-Y548 CarbonylContact O-C 3.58Å; T535-Y548 WeakPolarHBondContact O-CA 3.39Å; T535-W549 PolarHBondContact N-O 2.75Å; T535-W549 PolarHBondContact O-N 2.84Å; T535-W549 PolarHBondContact OG1-O 3.37Å; T535-W551 PolarHBondContact OG1-NE1 3.31Å |
| 536 | S | 92.3 | Very high | 88.7 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.8 | -173.2 | 70.1 | 0 | 0 | 0 | 0 | 112.7 | S522 D523 A547 | S522-S536 PolarHBondContact N-O 2.87Å; S522-S536 PolarHBondContact OG-O 3.37Å; D523-S536 PolarHBondContact N-O 2.96Å; D523-S536 VanDerWaalsContact N-O 3.17Å; D523-S536 PolarHBondContact O-N 3.05Å; S536-A547 WeakPolarHBondContact CA-O 3.47Å |
| 537 | V | 92.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | trans | -115.3 | 92.9 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | H518 M520 H542 N546 A547 F566 | H518-V537 VanDerWaalsContact NE2-CG2 3.31Å; H518-V537 WeakPolarHBondContact NE2-CG2 3.27Å; M520-V537 HydrophobicContact CB-CG1 4.35Å; V537-H542 HydrophobicContact CG1-CB 4.06Å; V537-N546 PolarHBondContact O-ND2 3.48Å; V537-A547 PolarHBondContact N-O 3.01Å; V537-F566 WeakPolarHBondContact O-CD1 3.41Å | ||
| 538 | S | 90.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | trans | -67.9 | 131.7 | 178.9 | 179 | 0 | 0 | 0 | 0 | 111.6 | S522 W540 S541 H542 C567 | S522-S538 PolarHBondContact OG-N 3.22Å; S538-W540 PolarHBondContact O-N 3.25Å; S538-W540 PolarHBondContact OG-N 3.39Å; S538-S541 PolarHBondContact O-N 3.35Å; S538-H542 PolarHBondContact O-N 2.59Å; S538-H542 VanDerWaalsContact O-O 3.12Å; S538-C567 WeakPolarHBondContact CB-O 3.45Å; S538-C567 PolarHBondContact OG-O 2.85Å | ||
| 539 | W | 89.7 | Confident | 88.8 | Confident | 82 Ų | 82 | 42.3 Ų | 42.3 | 31% | 0.311 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.4 | 172.3 | -178.3 | 81.8 | 0 | 0 | 0 | 112.8 | S541 H542 N546 R565 F566 | W539-S541 PolarHBondContact O-N 2.98Å; W539-H542 WeakPolarHBondContact CA-O 3.45Å; W539-N546 WeakPolarHBondContact CA-ND2 3.19Å; W539-N546 PolarHBondContact N-ND2 3.2Å; W539-R565 HydrophobicContact CD2-CB 4.4Å; W539-R565 HydrophobicContact CG-CB 4.21Å; W539-F566 WeakPolarHBondContact CA-O 3.41Å; W539-F566 WeakPolarHBondContact CB-O 3.31Å; W539-F566 PolarHBondContact N-O 2.8Å |
| 540 | W | 86.9 | Confident | 89.2 | Confident | 129 Ų | 129 | 41.4 Ų | 41.4 | 49% | 0.489 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24.7 | 173.1 | -61.9 | -36.1 | 0 | 0 | 0 | 112.7 | T205 S538 C567 Q568 | T205-W540 WeakPolarHBondContact O-CZ2 3.34Å; S538-W540 PolarHBondContact O-N 3.25Å; S538-W540 PolarHBondContact OG-N 3.39Å; W540-C567 HydrophobicContact CD2-CB 4.15Å; W540-C567 HydrophobicContact CE3-CB 4.4Å; W540-C567 HydrophobicContact CH2-CB 3.78Å; W540-C567 HydrophobicContact CZ2-CB 3.48Å; W540-C567 VanDerWaalsContact CZ2-CB 3.48Å; W540-C567 HydrophobicContact CZ3-CB 4.23Å; W540-Q568 HydrophobicContact CH2-CB 4.15Å; W540-Q568 HydrophobicContact CZ3-CB 3.88Å |
| 541 | S | 85.4 | Confident | 89.5 | Confident | 55 Ų | 55 | 41.6 Ų | 41.6 | 39% | 0.385 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -54.5 | 178 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | S538 W539 | S538-S541 PolarHBondContact O-N 3.35Å; W539-S541 PolarHBondContact O-N 2.98Å |
| 542 | H | 83.2 | Confident | 89.6 | Confident | 47 Ų | 47 | 36.8 Ų | 36.8 | 22% | 0.218 | 18% | 0.175 | C | C | . | . | trans | -132.5 | 133.3 | -175.4 | -62.9 | -68.2 | 0 | 0 | 0 | 110.4 | M520 V537 S538 W539 N546 | M520-H542 HydrophobicContact SD-CB 4.26Å; V537-H542 HydrophobicContact CG1-CB 4.06Å; S538-H542 PolarHBondContact O-N 2.59Å; S538-H542 VanDerWaalsContact O-O 3.12Å; W539-H542 WeakPolarHBondContact CA-O 3.45Å; H542-N546 PolarHBondContact O-ND2 2.7Å | ||
| 543 | K | 82.9 | Confident | 89.6 | Confident | 167 Ų | 167 | 37.5 Ų | 37.5 | 73% | 0.726 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -89.9 | 4.9 | -176.7 | -63.1 | -176.8 | 179.2 | 179 | 0 | 114.4 | ||
| 544 | V | 82.4 | Confident | 89.3 | Confident | 92 Ų | 92 | 42.6 Ų | 42.6 | 56% | 0.558 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -116.2 | 140.2 | -173.7 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | M520 N546 | M520-V544 HydrophobicContact SD-CB 4.31Å; V544-N546 PolarHBondContact O-N 3.44Å |
| 545 | D | 82.3 | Confident | 89.1 | Confident | 61 Ų | 61 | 42.6 Ų | 42.6 | 33% | 0.326 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 44.4 | 55.1 | -179.5 | -158.5 | 22.6 | 0 | 0 | 0 | 114 | A547 K560 | D545-A547 PolarHBondContact O-N 3.43Å; D545-K560 IonicContact OD1-NZ 3.03Å; D545-K560 IonicContact OD2-NZ 3.9Å; D545-K560 PolarHBondContact OD2-NZ 2.95Å |
| 546 | N | 89.1 | Confident | 89 | Confident | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | trans | -68.1 | 105.7 | 178.7 | -66.4 | 125.7 | 0 | 0 | 0 | 111.3 | V537 W539 H542 V544 K563 F566 | V537-N546 PolarHBondContact O-ND2 3.48Å; W539-N546 WeakPolarHBondContact CA-ND2 3.19Å; W539-N546 PolarHBondContact N-ND2 3.2Å; H542-N546 PolarHBondContact O-ND2 2.7Å; V544-N546 PolarHBondContact O-N 3.44Å; N546-K563 PolarHBondContact O-N 2.79Å; N546-K563 VanDerWaalsContact O-N 3.11Å; N546-K563 VanDerWaalsContact O-O 3.11Å; N546-F566 HydrophobicContact CB-CB 4.13Å | ||
| 547 | A | 90.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 160.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S536 V537 D545 N561 N562 | S536-A547 WeakPolarHBondContact CA-O 3.47Å; V537-A547 PolarHBondContact N-O 3.01Å; D545-A547 PolarHBondContact O-N 3.43Å; A547-N561 WeakPolarHBondContact CA-O 3.25Å; A547-N562 VanDerWaalsContact CB-OD1 3.22Å; A547-N562 WeakPolarHBondContact CB-OD1 3.42Å |
| 548 | Y | 92.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.6 | 160.5 | 66.2 | -89.5 | 0 | 0 | 0 | 109.4 | Y173 V175 V534 T535 N561 K563 F566 L569 | Y173-Y548 HydrophobicContact CE2-CE2 4.05Å; Y173-Y548 PolarHBondContact OH-OH 2.88Å; V175-Y548 HydrophobicContact CG1-CE1 4.36Å; V175-Y548 HydrophobicContact CG2-CE1 4.27Å; V534-Y548 HydrophobicContact CG2-CD2 4.21Å; T535-Y548 CarbonylContact O-C 3.58Å; T535-Y548 WeakPolarHBondContact O-CA 3.39Å; Y548-N561 HydrophobicContact CD1-CB 4.17Å; Y548-N561 HydrophobicContact CD2-CB 4.2Å; Y548-N561 HydrophobicContact CE1-CB 3.63Å; Y548-N561 HydrophobicContact CE2-CB 3.67Å; Y548-N561 WeakPolarHBondContact CE2-OD1 3.25Å; Y548-N561 HydrophobicContact CG-CB 4.43Å; Y548-N561 PolarHBondContact N-O 2.81Å; Y548-N561 VanDerWaalsContact N-O 3.09Å; Y548-N561 PolarHBondContact O-N 2.88Å; Y548-K563 HydrophobicContact CD1-CG 4.48Å; Y548-K563 HydrophobicContact CE1-CG 3.94Å; Y548-F566 HydrophobicContact CD1-CD2 4.04Å; Y548-F566 AromaticContact CD1-CE2 3.71Å; Y548-F566 HydrophobicContact CD1-CE2 3.71Å; Y548-F566 HydrophobicContact CD1-CZ 4.46Å; Y548-F566 HydrophobicContact CG-CE2 4.37Å; Y548-L569 HydrophobicContact CD1-CD1 4.01Å; Y548-L569 HydrophobicContact CD2-CD1 3.55Å; Y548-L569 HydrophobicContact CE1-CD1 4.45Å; Y548-L569 HydrophobicContact CE2-CD1 4.05Å; Y548-L569 HydrophobicContact CG-CD1 3.52Å |
| 549 | W | 92.8 | Very high | 88.5 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 11% | 0.114 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.8 | -177 | -61.7 | 28.6 | 0 | 0 | 0 | 107.1 | E517 H518 V534 T535 W551 L557 Q559 K560 | E517-W549 VanDerWaalsContact O-CZ3 3.25Å; E517-W549 WeakPolarHBondContact O-CZ3 3.16Å; H518-W549 HydrophobicContact CB-CE3 4.33Å; H518-W549 HydrophobicContact CB-CZ3 4.29Å; H518-W549 AromaticContact CD2-CD2 3.73Å; H518-W549 AromaticContact CD2-CE2 3.32Å; H518-W549 AromaticContact CD2-CH2 3.93Å; H518-W549 AromaticContact CD2-CZ2 3.43Å; H518-W549 VanDerWaalsContact CD2-CZ2 3.43Å; H518-W549 WeakPolarHBondContact CD2-CZ2 3.48Å; H518-W549 AromaticContact CD2-NE1 3.63Å; H518-W549 AromaticContact CE1-CD1 3.45Å; H518-W549 VanDerWaalsContact CE1-CD1 3.45Å; H518-W549 AromaticContact CE1-CD2 3.95Å; H518-W549 AromaticContact CE1-CE2 3.96Å; H518-W549 AromaticContact CE1-CG 3.6Å; H518-W549 AromaticContact CE1-NE1 3.68Å; H518-W549 AromaticContact CG-CD2 3.91Å; H518-W549 AromaticContact CG-CE2 3.99Å; H518-W549 AromaticContact ND1-CG 3.93Å; H518-W549 AromaticContact NE2-CD1 3.36Å; H518-W549 AromaticContact NE2-CD2 3.75Å; H518-W549 AromaticContact NE2-CE2 3.31Å; H518-W549 VanDerWaalsContact NE2-CE2 3.31Å; H518-W549 AromaticContact NE2-CG 3.75Å; H518-W549 AromaticContact NE2-CZ2 3.84Å; H518-W549 AromaticContact NE2-NE1 3.07Å; H518-W549 PolarHBondContact NE2-NE1 3.3Å; V534-W549 WeakPolarHBondContact CA-O 3.43Å; T535-W549 PolarHBondContact N-O 2.75Å; T535-W549 PolarHBondContact O-N 2.84Å; T535-W549 PolarHBondContact OG1-O 3.37Å; W549-W551 HydrophobicContact CB-CZ2 4.24Å; W549-W551 HydrophobicContact CD2-CZ2 4.24Å; W549-W551 AromaticContact CE3-CH2 3.66Å; W549-W551 HydrophobicContact CE3-CH2 3.66Å; W549-W551 AromaticContact CE3-CZ2 3.29Å; W549-W551 HydrophobicContact CE3-CZ2 3.29Å; W549-W551 AromaticContact CZ3-CH2 3.93Å; W549-W551 HydrophobicContact CZ3-CH2 3.93Å; W549-W551 AromaticContact CZ3-CZ2 3.91Å; W549-W551 HydrophobicContact CZ3-CZ2 3.91Å; W549-L557 HydrophobicContact CB-CD1 4.01Å; W549-L557 HydrophobicContact CD2-CD1 4.49Å; W549-L557 HydrophobicContact CE3-CD1 3.98Å; W549-L557 HydrophobicContact CE3-CD2 4.4Å; W549-Q559 WeakPolarHBondContact CA-O 3.42Å; W549-K560 HydrophobicContact CD2-CD 4.25Å; W549-K560 HydrophobicContact CD2-CG 4.36Å; W549-K560 HydrophobicContact CG-CB 4.48Å; W549-K560 HydrophobicContact CG-CG 4.29Å; W549-K560 HydrophobicContact CZ2-CD 3.9Å |
| 550 | L | 92.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 124.4 | 179.7 | -172.7 | 71.3 | 0 | 0 | 0 | 109.3 | N188 V534 L558 Q559 W571 | N188-L550 WeakPolarHBondContact OD1-CD2 3.25Å; V534-L550 HydrophobicContact CB-CD1 4.34Å; L550-L558 HydrophobicContact CD2-CD1 4.2Å; L550-L558 HydrophobicContact CG-CD1 4.35Å; L550-L558 WeakPolarHBondContact O-CB 3.44Å; L550-L558 PolarHBondContact O-N 2.97Å; L550-Q559 HydrophobicContact CB-CB 4.32Å; L550-Q559 PolarHBondContact N-O 2.79Å; L550-Q559 PolarHBondContact O-N 3.09Å; L550-W571 HydrophobicContact CD1-CH2 4.11Å; L550-W571 HydrophobicContact CD1-CZ2 3.72Å |
| 551 | W | 92.8 | Very high | 88.6 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 152.1 | -179.7 | -47.7 | 83.9 | 0 | 0 | 0 | 110 | L502 F504 A516 H518 Y532 V533 T535 W549 R556 L557 | L502-W551 HydrophobicContact CD1-CZ2 4.2Å; F504-W551 HydrophobicContact CZ-CB 4.14Å; F504-W551 HydrophobicContact CZ-CD2 4.41Å; F504-W551 HydrophobicContact CZ-CG 4.18Å; A516-W551 HydrophobicContact CB-CE3 4.15Å; A516-W551 HydrophobicContact CB-CH2 3.55Å; A516-W551 HydrophobicContact CB-CZ2 4.33Å; A516-W551 HydrophobicContact CB-CZ3 3.43Å; A516-W551 VanDerWaalsContact CB-CZ3 3.43Å; H518-W551 HydrophobicContact CB-CZ2 4.29Å; Y532-W551 CarbonylContact C-O 3.58Å; Y532-W551 VanDerWaalsContact CA-O 3.29Å; Y532-W551 WeakPolarHBondContact CA-O 3.28Å; V533-W551 HydrophobicContact CB-CB 4.3Å; V533-W551 PolarHBondContact N-O 3.44Å; V533-W551 PolarHBondContact O-N 2.64Å; T535-W551 PolarHBondContact OG1-NE1 3.31Å; W549-W551 HydrophobicContact CB-CZ2 4.24Å; W549-W551 HydrophobicContact CD2-CZ2 4.24Å; W549-W551 AromaticContact CE3-CH2 3.66Å; W549-W551 HydrophobicContact CE3-CH2 3.66Å; W549-W551 AromaticContact CE3-CZ2 3.29Å; W549-W551 HydrophobicContact CE3-CZ2 3.29Å; W549-W551 AromaticContact CZ3-CH2 3.93Å; W549-W551 HydrophobicContact CZ3-CH2 3.93Å; W549-W551 AromaticContact CZ3-CZ2 3.91Å; W549-W551 HydrophobicContact CZ3-CZ2 3.91Å; W551-R556 WeakPolarHBondContact CA-O 3.38Å; W551-L557 HydrophobicContact CD2-CD1 3.96Å; W551-L557 HydrophobicContact CE3-CB 3.8Å; W551-L557 HydrophobicContact CE3-CD1 3.94Å; W551-L557 HydrophobicContact CE3-CG 4.49Å; W551-L557 HydrophobicContact CH2-CB 4.39Å; W551-L557 HydrophobicContact CH2-CD1 3.99Å; W551-L557 HydrophobicContact CZ2-CD1 4.04Å; W551-L557 HydrophobicContact CZ3-CB 3.66Å; W551-L557 HydrophobicContact CZ3-CD1 3.94Å; W551-L557 HydrophobicContact CZ3-CG 4.31Å |
| 552 | T | 91.9 | Very high | 88.9 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 14% | 0.135 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 162.5 | 161.3 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | Q554 G555 R556 L558 | T552-Q554 PolarHBondContact O-N 3.45Å; T552-G555 PolarHBondContact O-N 3.23Å; T552-R556 PolarHBondContact N-O 3.14Å; T552-R556 WeakPolarHBondContact OG1-CB 3.49Å; T552-R556 PolarHBondContact OG1-N 2.83Å; T552-R556 PolarHBondContact OG1-O 2.89Å; T552-R556 VanDerWaalsContact OG1-O 3.14Å; T552-L558 HydrophobicContact CG2-CD1 3.71Å; T552-L558 HydrophobicContact CG2-CD2 3.77Å; T552-L558 HydrophobicContact CG2-CG 3.77Å |
| 553 | F | 89.7 | Confident | 89.1 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 23% | 0.232 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.2 | 171.5 | 70.8 | -88.6 | 0 | 0 | 0 | 114 | F489 M513 W526 R531 G555 | F489-F553 HydrophobicContact CD1-CD2 4.14Å; F489-F553 HydrophobicContact CD2-CB 4.36Å; F489-F553 AromaticContact CD2-CD2 3.88Å; F489-F553 HydrophobicContact CD2-CD2 3.88Å; F489-F553 HydrophobicContact CD2-CG 4.39Å; F489-F553 AromaticContact CE1-CD2 3.85Å; F489-F553 HydrophobicContact CE1-CD2 3.85Å; F489-F553 HydrophobicContact CE1-CE2 4.06Å; F489-F553 AromaticContact CE2-CD2 3.58Å; F489-F553 HydrophobicContact CE2-CD2 3.58Å; F489-F553 AromaticContact CE2-CE2 3.89Å; F489-F553 HydrophobicContact CE2-CE2 3.89Å; F489-F553 HydrophobicContact CE2-CG 4.33Å; F489-F553 HydrophobicContact CG-CD2 4.14Å; F489-F553 AromaticContact CZ-CD2 3.56Å; F489-F553 HydrophobicContact CZ-CD2 3.56Å; F489-F553 AromaticContact CZ-CE2 3.56Å; F489-F553 HydrophobicContact CZ-CE2 3.56Å; M513-F553 WeakPolarHBondContact CE-O 3.46Å; W526-F553 HydrophobicContact CH2-CB 4.13Å; W526-F553 HydrophobicContact CZ3-CB 3.85Å; R531-F553 HydrophobicContact CG-CD1 4.37Å; R531-F553 WeakPolarHBondContact O-CB 3.33Å; R531-F553 WeakPolarHBondContact O-CD1 3.49Å; R531-F553 PolarHBondContact O-N 3.47Å; F553-G555 VanDerWaalsContact C-N 3.27Å |
| 554 | Q | 89.3 | Confident | 89.3 | Confident | 107 Ų | 107 | 53 Ų | 53 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -8.9 | 176.2 | -61.4 | 179.8 | -17.3 | 0 | 0 | 113 | N514 T552 | N514-Q554 WeakPolarHBondContact CB-O 3.1Å; T552-Q554 PolarHBondContact O-N 3.45Å |
| 555 | G | 89.1 | Confident | 89.6 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 81.7 | 15.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F504 N514 T552 F553 | F504-G555 VanDerWaalsContact CD2-CA 3.47Å; F504-G555 VanDerWaalsContact CE2-CA 3.45Å; N514-G555 PolarHBondContact ND2-O 3.5Å; T552-G555 PolarHBondContact O-N 3.23Å; F553-G555 VanDerWaalsContact C-N 3.27Å |
| 556 | R | 90.4 | Very high | 90 | Very high | 178 Ų | 178 | 50.4 Ų | 50.4 | 67% | 0.672 | 23% | 0.233 | S | C | * | . | trans | -80.7 | 126.4 | 169 | -179.4 | -178.7 | 174 | -179.6 | 0.2 | 109.5 | W551 T552 L558 | W551-R556 WeakPolarHBondContact CA-O 3.38Å; T552-R556 PolarHBondContact N-O 3.14Å; T552-R556 WeakPolarHBondContact OG1-CB 3.49Å; T552-R556 PolarHBondContact OG1-N 2.83Å; T552-R556 PolarHBondContact OG1-O 2.89Å; T552-R556 VanDerWaalsContact OG1-O 3.14Å; R556-L558 PolarHBondContact O-N 2.85Å | ||
| 557 | L | 90.4 | Very high | 90 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 38% | 0.382 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 128.6 | 174 | -173.1 | 64.7 | 0 | 0 | 0 | 110.1 | W549 W551 | W549-L557 HydrophobicContact CB-CD1 4.01Å; W549-L557 HydrophobicContact CD2-CD1 4.49Å; W549-L557 HydrophobicContact CE3-CD1 3.98Å; W549-L557 HydrophobicContact CE3-CD2 4.4Å; W551-L557 HydrophobicContact CD2-CD1 3.96Å; W551-L557 HydrophobicContact CE3-CB 3.8Å; W551-L557 HydrophobicContact CE3-CD1 3.94Å; W551-L557 HydrophobicContact CE3-CG 4.49Å; W551-L557 HydrophobicContact CH2-CB 4.39Å; W551-L557 HydrophobicContact CH2-CD1 3.99Å; W551-L557 HydrophobicContact CZ2-CD1 4.04Å; W551-L557 HydrophobicContact CZ3-CB 3.66Å; W551-L557 HydrophobicContact CZ3-CD1 3.94Å; W551-L557 HydrophobicContact CZ3-CG 4.31Å |
| 558 | L | 87.4 | Confident | 90 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 29% | 0.288 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -53.1 | 173.7 | -66.4 | 170.9 | 0 | 0 | 0 | 110.5 | Y532 L550 T552 R556 | Y532-L558 HydrophobicContact CD1-CD1 3.5Å; Y532-L558 HydrophobicContact CE1-CD1 3.4Å; L550-L558 HydrophobicContact CD2-CD1 4.2Å; L550-L558 HydrophobicContact CG-CD1 4.35Å; L550-L558 WeakPolarHBondContact O-CB 3.44Å; L550-L558 PolarHBondContact O-N 2.97Å; T552-L558 HydrophobicContact CG2-CD1 3.71Å; T552-L558 HydrophobicContact CG2-CD2 3.77Å; T552-L558 HydrophobicContact CG2-CG 3.77Å; R556-L558 PolarHBondContact O-N 2.85Å |
| 559 | Q | 86.4 | Confident | 90.1 | Very high | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.065 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 143.5 | -173.1 | -69.9 | 163.4 | 15.9 | 0 | 0 | 110.6 | D189 A190 K191 W549 L550 | D189-Q559 PolarHBondContact O-NE2 2.91Å; A190-Q559 PolarHBondContact O-NE2 2.95Å; A190-Q559 VanDerWaalsContact O-NE2 3.16Å; K191-Q559 WeakPolarHBondContact O-CG 3.29Å; K191-Q559 PolarHBondContact O-NE2 3.36Å; W549-Q559 WeakPolarHBondContact CA-O 3.42Å; L550-Q559 HydrophobicContact CB-CB 4.32Å; L550-Q559 PolarHBondContact N-O 2.79Å; L550-Q559 PolarHBondContact O-N 3.09Å |
| 560 | K | 90.4 | Very high | 90.1 | Very high | 89 Ų | 89 | 52.5 Ų | 52.5 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 114.6 | 164.7 | 174.6 | 169.7 | 179.4 | 169.3 | 0 | 107.1 | D545 W549 N562 | D545-K560 IonicContact OD1-NZ 3.03Å; D545-K560 IonicContact OD2-NZ 3.9Å; D545-K560 PolarHBondContact OD2-NZ 2.95Å; W549-K560 HydrophobicContact CD2-CD 4.25Å; W549-K560 HydrophobicContact CD2-CG 4.36Å; W549-K560 HydrophobicContact CG-CB 4.48Å; W549-K560 HydrophobicContact CG-CG 4.29Å; W549-K560 HydrophobicContact CZ2-CD 3.9Å; K560-N562 WeakPolarHBondContact CE-OD1 3.4Å; K560-N562 WeakPolarHBondContact CG-OD1 3.44Å |
| 561 | N | 89.6 | Confident | 90.2 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 101.5 | -179.9 | -62.8 | 98.3 | 0 | 0 | 0 | 109.1 | A547 Y548 | A547-N561 WeakPolarHBondContact CA-O 3.25Å; Y548-N561 HydrophobicContact CD1-CB 4.17Å; Y548-N561 HydrophobicContact CD2-CB 4.2Å; Y548-N561 HydrophobicContact CE1-CB 3.63Å; Y548-N561 HydrophobicContact CE2-CB 3.67Å; Y548-N561 WeakPolarHBondContact CE2-OD1 3.25Å; Y548-N561 HydrophobicContact CG-CB 4.43Å; Y548-N561 PolarHBondContact N-O 2.81Å; Y548-N561 VanDerWaalsContact N-O 3.09Å; Y548-N561 PolarHBondContact O-N 2.88Å |
| 562 | N | 90.6 | Very high | 90.2 | Very high | 94 Ų | 94 | 52.5 Ų | 52.5 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 130 | 172.7 | -65.6 | 1 | 0 | 0 | 0 | 108.7 | A547 K560 | A547-N562 VanDerWaalsContact CB-OD1 3.22Å; A547-N562 WeakPolarHBondContact CB-OD1 3.42Å; K560-N562 WeakPolarHBondContact CE-OD1 3.4Å; K560-N562 WeakPolarHBondContact CG-OD1 3.44Å |
| 563 | K | 87.1 | Confident | 90.2 | Very high | 54 Ų | 54 | 53 Ų | 53 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | trans | -135.9 | 126.5 | -178.7 | -73.1 | -65.2 | -174.3 | 177.6 | 0 | 109 | Y177 N546 Y548 R565 F566 | Y177-K563 HydrophobicContact CD2-CD 4.35Å; Y177-K563 HydrophobicContact CG-CD 4.45Å; N546-K563 PolarHBondContact O-N 2.79Å; N546-K563 VanDerWaalsContact O-N 3.11Å; N546-K563 VanDerWaalsContact O-O 3.11Å; Y548-K563 HydrophobicContact CD1-CG 4.48Å; Y548-K563 HydrophobicContact CE1-CG 3.94Å; K563-R565 PolarHBondContact O-N 2.87Å; K563-F566 HydrophobicContact CB-CB 4.03Å; K563-F566 HydrophobicContact CB-CD2 4.41Å; K563-F566 PolarHBondContact O-N 3.01Å | ||
| 564 | D | 88 | Confident | 90 | Very high | 127 Ų | 127 | 54 Ų | 54 | 68% | 0.679 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 129.4 | 179.4 | -67.2 | -32.1 | 0 | 0 | 0 | 110.8 | E178 F566 | E178-D564 PolarHBondContact N-O 2.86Å; D564-F566 PolarHBondContact O-N 2.94Å; D564-F566 VanDerWaalsContact O-N 3.16Å |
| 565 | R | 88.1 | Confident | 89.7 | Confident | 99 Ų | 99 | 49.7 Ų | 49.7 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 46.8 | 179.3 | -56.3 | 178.9 | -69.3 | 161.4 | 1.7 | 111.7 | A179 E181 W539 K563 C567 | A179-R565 HydrophobicContact CB-CB 4.12Å; A179-R565 PolarHBondContact N-O 3.03Å; A179-R565 VanDerWaalsContact N-O 3.13Å; E181-R565 IonicContact OE1-CZ 3.39Å; E181-R565 IonicContact OE1-NH1 3.52Å; E181-R565 IonicContact OE1-NH2 3.1Å; E181-R565 PolarHBondContact OE1-NH2 3.34Å; W539-R565 HydrophobicContact CD2-CB 4.4Å; W539-R565 HydrophobicContact CG-CB 4.21Å; K563-R565 PolarHBondContact O-N 2.87Å; R565-C567 PolarHBondContact O-N 2.83Å; R565-C567 PolarHBondContact O-SG 3.18Å |
| 566 | F | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -60.7 | 125.7 | 177.5 | 168.1 | -92.1 | 0 | 0 | 0 | 110.9 | V175 V537 W539 N546 Y548 K563 D564 L569 | V175-F566 HydrophobicContact CG1-CD2 3.84Å; V175-F566 HydrophobicContact CG1-CE2 3.76Å; V537-F566 WeakPolarHBondContact O-CD1 3.41Å; W539-F566 WeakPolarHBondContact CA-O 3.41Å; W539-F566 WeakPolarHBondContact CB-O 3.31Å; W539-F566 PolarHBondContact N-O 2.8Å; N546-F566 HydrophobicContact CB-CB 4.13Å; Y548-F566 HydrophobicContact CD1-CD2 4.04Å; Y548-F566 AromaticContact CD1-CE2 3.71Å; Y548-F566 HydrophobicContact CD1-CE2 3.71Å; Y548-F566 HydrophobicContact CD1-CZ 4.46Å; Y548-F566 HydrophobicContact CG-CE2 4.37Å; K563-F566 HydrophobicContact CB-CB 4.03Å; K563-F566 HydrophobicContact CB-CD2 4.41Å; K563-F566 PolarHBondContact O-N 3.01Å; D564-F566 PolarHBondContact O-N 2.94Å; D564-F566 VanDerWaalsContact O-N 3.16Å; F566-L569 HydrophobicContact CE2-CB 3.81Å; F566-L569 HydrophobicContact CZ-CB 3.5Å | ||
| 567 | C | 89.1 | Confident | 88.9 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | trans | -100.9 | -54.8 | -174.6 | -71.9 | 0 | 0 | 0 | 0 | 112.4 | I176 S538 W540 R565 | I176-C567 HydrophobicContact CB-CB 4.01Å; I176-C567 HydrophobicContact CG2-CB 3.81Å; I176-C567 PolarHBondContact O-N 2.86Å; S538-C567 WeakPolarHBondContact CB-O 3.45Å; S538-C567 PolarHBondContact OG-O 2.85Å; W540-C567 HydrophobicContact CD2-CB 4.15Å; W540-C567 HydrophobicContact CE3-CB 4.4Å; W540-C567 HydrophobicContact CH2-CB 3.78Å; W540-C567 HydrophobicContact CZ2-CB 3.48Å; W540-C567 VanDerWaalsContact CZ2-CB 3.48Å; W540-C567 HydrophobicContact CZ3-CB 4.23Å; R565-C567 PolarHBondContact O-N 2.83Å; R565-C567 PolarHBondContact O-SG 3.18Å | ||
| 568 | Q | 91.4 | Very high | 88.5 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 142 | -170.3 | -173.7 | 177.2 | 43.7 | 0 | 0 | 110.8 | V175 I176 V207 W540 L570 | V175-Q568 WeakPolarHBondContact CA-O 3.22Å; I176-Q568 HydrophobicContact CD1-CB 4.32Å; I176-Q568 PolarHBondContact N-O 2.98Å; V207-Q568 PolarHBondContact O-OE1 3Å; W540-Q568 HydrophobicContact CH2-CB 4.15Å; W540-Q568 HydrophobicContact CZ3-CB 3.88Å; Q568-L570 HydrophobicContact CG-CD1 4.42Å; Q568-L570 HydrophobicContact CG-CG 4.04Å |
| 569 | L | 93.7 | Very high | 88.3 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.9 | 164.6 | -177.4 | 157.2 | 0 | 0 | 0 | 108.7 | Y173 S174 V175 V534 Y548 F566 | Y173-L569 HydrophobicContact CD2-CD1 3.68Å; Y173-L569 HydrophobicContact CD2-CD2 4.29Å; Y173-L569 HydrophobicContact CD2-CG 3.79Å; Y173-L569 HydrophobicContact CE2-CD1 3.76Å; Y173-L569 HydrophobicContact CE2-CG 4.38Å; S174-L569 VanDerWaalsContact O-CA 3.29Å; S174-L569 WeakPolarHBondContact O-CA 3.36Å; V175-L569 HydrophobicContact CG2-CB 4.44Å; V175-L569 HydrophobicContact CG2-CD1 3.89Å; V175-L569 HydrophobicContact CG2-CG 4.06Å; V534-L569 HydrophobicContact CB-CD2 4.23Å; V534-L569 HydrophobicContact CG1-CD2 3.52Å; V534-L569 HydrophobicContact CG2-CD1 3.79Å; V534-L569 HydrophobicContact CG2-CD2 3.91Å; Y548-L569 HydrophobicContact CD1-CD1 4.01Å; Y548-L569 HydrophobicContact CD2-CD1 3.55Å; Y548-L569 HydrophobicContact CE1-CD1 4.45Å; Y548-L569 HydrophobicContact CE2-CD1 4.05Å; Y548-L569 HydrophobicContact CG-CD1 3.52Å; F566-L569 HydrophobicContact CE2-CB 3.81Å; F566-L569 HydrophobicContact CZ-CB 3.5Å |
| 570 | L | 93.6 | Very high | 88.4 | Confident | 40 Ų | 40 | 58.9 Ų | 58.9 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 130.7 | 173.5 | -68.1 | 174.9 | 0 | 0 | 0 | 110.1 | Y173 S174 V207 E525 Q568 | Y173-L570 CarbonylContact C-O 3.59Å; Y173-L570 VanDerWaalsContact CA-O 3.31Å; Y173-L570 WeakPolarHBondContact CA-O 3.33Å; Y173-L570 WeakPolarHBondContact CB-O 3.48Å; S174-L570 PolarHBondContact N-O 2.94Å; S174-L570 PolarHBondContact O-N 3Å; S174-L570 PolarHBondContact OG-O 2.87Å; V207-L570 WeakPolarHBondContact O-CD1 3.49Å; E525-L570 WeakPolarHBondContact OE2-CA 3.46Å; Q568-L570 HydrophobicContact CG-CD1 4.42Å; Q568-L570 HydrophobicContact CG-CG 4.04Å |
| 571 | W | 93.8 | Very high | 88.1 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.019 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 140.1 | 169.3 | -72.7 | 102.5 | 0 | 0 | 0 | 110.9 | D171 Y173 N188 E525 D527 P528 V534 L550 P573 | D171-W571 HydrophobicContact CB-CE3 4.11Å; D171-W571 HydrophobicContact CB-CZ3 3.92Å; Y173-W571 HydrophobicContact CD1-CE3 4.04Å; Y173-W571 AromaticContact CD1-CH2 3.69Å; Y173-W571 HydrophobicContact CD1-CH2 3.69Å; Y173-W571 HydrophobicContact CD1-CZ2 4.49Å; Y173-W571 AromaticContact CD1-CZ3 3.45Å; Y173-W571 HydrophobicContact CD1-CZ3 3.45Å; Y173-W571 VanDerWaalsContact CD1-CZ3 3.45Å; Y173-W571 HydrophobicContact CE1-CH2 4.15Å; Y173-W571 HydrophobicContact CE1-CZ3 4.27Å; Y173-W571 HydrophobicContact CG-CE3 4.29Å; Y173-W571 HydrophobicContact CG-CH2 4.4Å; Y173-W571 HydrophobicContact CG-CZ3 4.12Å; N188-W571 HydrophobicContact CB-CH2 3.86Å; N188-W571 HydrophobicContact CB-CZ3 3.84Å; E525-W571 PolarHBondContact OE2-N 2.92Å; E525-W571 VanDerWaalsContact OE2-N 3.08Å; D527-W571 HydrophobicContact CB-CD2 4.12Å; D527-W571 HydrophobicContact CB-CE3 4.41Å; D527-W571 HydrophobicContact CB-CZ2 4.26Å; P528-W571 HydrophobicContact CG-CB 4.33Å; V534-W571 HydrophobicContact CB-CZ2 4.26Å; L550-W571 HydrophobicContact CD1-CH2 4.11Å; L550-W571 HydrophobicContact CD1-CZ2 3.72Å; W571-P573 WeakPolarHBondContact O-CD 3.39Å |
| 572 | R | 93.4 | Very high | 87.9 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | trans | -70.3 | 115.9 | 170.4 | -175.4 | 177.9 | -167.9 | 161.7 | 13.9 | 108.1 | Q172 W209 G213 | Q172-R572 HydrophobicContact CB-CB 4.06Å; Q172-R572 WeakPolarHBondContact O-CB 3.34Å; Q172-R572 PolarHBondContact O-N 2.92Å; W209-R572 HydrophobicContact CD2-CB 4.2Å; W209-R572 HydrophobicContact CD2-CG 4.01Å; W209-R572 HydrophobicContact CE3-CB 4.47Å; W209-R572 HydrophobicContact CE3-CG 3.81Å; W209-R572 HydrophobicContact CH2-CB 4.31Å; W209-R572 HydrophobicContact CH2-CG 3.96Å; W209-R572 HydrophobicContact CZ2-CB 4.03Å; W209-R572 HydrophobicContact CZ2-CG 4.17Å; W209-R572 HydrophobicContact CZ3-CG 3.77Å; G213-R572 VanDerWaalsContact O-CZ 3.28Å; G213-R572 PolarHBondContact O-NE 2.88Å; G213-R572 PolarHBondContact O-NH2 3.36Å | ||
| 573 | P | 91 | Very high | 87.8 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 22% | 0.221 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -61 | 147.8 | -179.1 | -24.6 | 36.4 | 0 | 0 | 0 | 111.8 | W209 S210 P211 K212 G213 W571 | W209-P573 HydrophobicContact CB-CG 4.01Å; S210-P573 WeakPolarHBondContact O-CG 3.18Å; P211-P573 VanDerWaalsContact O-CB 3.32Å; P211-P573 WeakPolarHBondContact O-CB 3.39Å; K212-P573 CarbonylContact C-O 3.58Å; G213-P573 WeakPolarHBondContact CA-O 3.46Å; G213-P573 PolarHBondContact N-O 2.92Å; W571-P573 WeakPolarHBondContact O-CD 3.39Å |
| 574 | R | 85.6 | Confident | 87.8 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 28% | 0.275 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 137 | 173.8 | -66 | -179.1 | 79.1 | 129.2 | -0.8 | 110.5 | D171 P528 | D171-R574 VanDerWaalsContact OD1-CD 3.29Å; D171-R574 WeakPolarHBondContact OD1-CD 3.35Å; D171-R574 IonicContact OD1-CZ 3.63Å; D171-R574 IonicContact OD1-NE 3.41Å; D171-R574 IonicContact OD1-NH1 2.69Å; D171-R574 PolarHBondContact OD1-NH1 2.93Å; D171-R574 IonicContact OD2-NH1 3.53Å; P528-R574 HydrophobicContact CB-CB 4.05Å; P528-R574 HydrophobicContact CB-CG 3.81Å; P528-R574 HydrophobicContact CG-CG 4.35Å |
| 575 | P | 84.3 | Confident | 87.7 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -63 | 156 | 169 | 25.8 | -30.2 | 0 | 0 | 0 | 110.5 | I164 K212 | I164-P575 HydrophobicContact CD1-CG 3.3Å; K212-P575 HydrophobicContact CB-CB 4.1Å; K212-P575 WeakPolarHBondContact O-CD 3.19Å |
| 576 | P | 80.9 | Confident | 87.6 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 143.9 | 172.4 | -26.1 | 34.5 | 0 | 0 | 0 | 112.3 | ||
| 577 | T | 80.4 | Confident | 87.4 | Confident | 99 Ų | 99 | 65.8 Ų | 65.8 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 138.5 | -179.7 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | L579 | T577-L579 PolarHBondContact O-N 3.49Š|
| 578 | L | 82.6 | Confident | 87.1 | Confident | 172 Ų | 172 | 73 Ų | 73 | 90% | 0.901 | 38% | 0.384 | S | S | * | . | trans | -75.4 | -8.7 | 173.1 | -67 | 170.1 | 0 | 0 | 0 | 113.1 | ||||
| 579 | L | 84 | Confident | 87 | Confident | 79 Ų | 79 | 79.6 Ų | 79.6 | 41% | 0.414 | 41% | 0.412 | S | S | . | . | trans | -66.6 | 137.8 | -178.5 | -67 | 168.7 | 0 | 0 | 0 | 111.3 | T577 Q583 I584 I587 | T577-L579 PolarHBondContact O-N 3.49Å; L579-Q583 HydrophobicContact CB-CB 4.5Å; L579-Q583 HydrophobicContact CD2-CB 4.29Å; L579-I584 HydrophobicContact CB-CD1 4.28Å; L579-I584 HydrophobicContact CB-CG1 3.9Å; L579-I587 HydrophobicContact CD1-CD1 3.88Å | ||
| 580 | S | 87.4 | Confident | 86.7 | Confident | 56 Ų | 56 | 82.5 Ų | 82.5 | 39% | 0.392 | 43% | 0.428 | S | S | . | . | trans | -70.4 | 157.9 | 173 | 74.8 | 0 | 0 | 0 | 0 | 111.3 | D582 Q583 I584 | S580-D582 PolarHBondContact O-N 2.87Å; S580-Q583 PolarHBondContact O-N 2.8Å; S580-Q583 VanDerWaalsContact O-N 3.16Å; S580-Q583 WeakPolarHBondContact OG-CG 3.37Å; S580-Q583 PolarHBondContact OG-N 2.75Å; S580-I584 WeakPolarHBondContact O-CG1 3.17Å; S580-I584 PolarHBondContact O-N 2.9Å | ||
| 581 | S | 83.8 | Confident | 86.2 | Confident | 79 Ų | 79 | 85.8 Ų | 85.8 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -57.4 | -32.9 | 177.3 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | K585 | S581-K585 VanDerWaalsContact O-CG 3.31Å; S581-K585 WeakPolarHBondContact O-CG 3.4Å; S581-K585 PolarHBondContact O-N 2.86Å |
| 582 | D | 87.1 | Confident | 85.8 | Confident | 89 Ų | 89 | 94 Ų | 94 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.4 | -37.7 | 178.4 | -65.2 | -29.1 | 0 | 0 | 0 | 112.7 | S580 I584 K585 M586 | S580-D582 PolarHBondContact O-N 2.87Å; D582-I584 VanDerWaalsContact C-N 3.33Å; D582-I584 PolarHBondContact O-N 3.46Å; D582-K585 PolarHBondContact O-N 3.24Å; D582-K585 IonicContact OD1-NZ 2.73Å; D582-K585 PolarHBondContact OD1-NZ 2.84Å; D582-M586 WeakPolarHBondContact O-CG 3.33Å; D582-M586 PolarHBondContact O-N 3.1Å |
| 583 | Q | 88.3 | Confident | 85.5 | Confident | 93 Ų | 93 | 100.3 Ų | 100.3 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 171.2 | -73 | 171.7 | -26.9 | 0 | 0 | 111.2 | L579 S580 K585 M586 I587 | L579-Q583 HydrophobicContact CB-CB 4.5Å; L579-Q583 HydrophobicContact CD2-CB 4.29Å; S580-Q583 PolarHBondContact O-N 2.8Å; S580-Q583 VanDerWaalsContact O-N 3.16Å; S580-Q583 WeakPolarHBondContact OG-CG 3.37Å; S580-Q583 PolarHBondContact OG-N 2.75Å; Q583-K585 VanDerWaalsContact C-N 3.32Å; Q583-K585 PolarHBondContact O-N 2.78Å; Q583-M586 PolarHBondContact O-N 3.21Å; Q583-I587 VanDerWaalsContact O-CG1 3.28Å; Q583-I587 WeakPolarHBondContact O-CG1 3.42Å; Q583-I587 PolarHBondContact O-N 3.28Å |
| 584 | I | 85.6 | Confident | 85.1 | Confident | 56 Ų | 56 | 103.3 Ų | 103.3 | 29% | 0.287 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 176 | -65.8 | 168.6 | 0 | 0 | 0 | 110.7 | L579 S580 D582 I587 K588 | L579-I584 HydrophobicContact CB-CD1 4.28Å; L579-I584 HydrophobicContact CB-CG1 3.9Å; S580-I584 WeakPolarHBondContact O-CG1 3.17Å; S580-I584 PolarHBondContact O-N 2.9Å; D582-I584 VanDerWaalsContact C-N 3.33Å; D582-I584 PolarHBondContact O-N 3.46Å; I584-I587 PolarHBondContact O-N 3.06Å; I584-K588 HydrophobicContact CG2-CD 4.4Å; I584-K588 WeakPolarHBondContact O-CG 3.5Å; I584-K588 PolarHBondContact O-N 2.85Å |
| 585 | K | 86 | Confident | 85 | Confident | 128 Ų | 128 | 102.8 Ų | 102.8 | 56% | 0.557 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.8 | -43 | 174.8 | -72 | 169.3 | -165.5 | 159 | 0 | 112 | S581 D582 Q583 K588 K589 | S581-K585 VanDerWaalsContact O-CG 3.31Å; S581-K585 WeakPolarHBondContact O-CG 3.4Å; S581-K585 PolarHBondContact O-N 2.86Å; D582-K585 PolarHBondContact O-N 3.24Å; D582-K585 IonicContact OD1-NZ 2.73Å; D582-K585 PolarHBondContact OD1-NZ 2.84Å; Q583-K585 VanDerWaalsContact C-N 3.32Å; Q583-K585 PolarHBondContact O-N 2.78Å; K585-K588 PolarHBondContact O-N 3.36Å; K585-K589 PolarHBondContact O-N 3Å |
| 586 | M | 87.3 | Confident | 85 | Confident | 125 Ų | 125 | 108.6 Ų | 108.6 | 62% | 0.616 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 176.4 | -70.5 | -178.6 | -176.3 | 0 | 0 | 111.5 | D582 Q583 K588 K589 D590 | D582-M586 WeakPolarHBondContact O-CG 3.33Å; D582-M586 PolarHBondContact O-N 3.1Å; Q583-M586 PolarHBondContact O-N 3.21Å; M586-K588 VanDerWaalsContact C-N 3.34Å; M586-K588 PolarHBondContact O-N 2.83Å; M586-K589 WeakPolarHBondContact O-CB 3.41Å; M586-K589 PolarHBondContact O-N 3.29Å; M586-K589 VanDerWaalsContact O-N 3.13Å; M586-D590 PolarHBondContact O-N 3.46Å |
| 587 | I | 85.9 | Confident | 85.2 | Confident | 66 Ų | 66 | 106.9 Ų | 106.9 | 34% | 0.338 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.3 | -67.9 | 163.9 | 0 | 0 | 0 | 111.1 | L579 Q583 I584 K589 D590 L591 | L579-I587 HydrophobicContact CD1-CD1 3.88Å; Q583-I587 VanDerWaalsContact O-CG1 3.28Å; Q583-I587 WeakPolarHBondContact O-CG1 3.42Å; Q583-I587 PolarHBondContact O-N 3.28Å; I584-I587 PolarHBondContact O-N 3.06Å; I587-K589 VanDerWaalsContact C-N 3.31Å; I587-K589 PolarHBondContact O-N 3.23Å; I587-D590 CarbonylContact O-C 3.48Å; I587-D590 PolarHBondContact O-N 3.25Å; I587-L591 PolarHBondContact O-N 3.32Å |
| 588 | K | 83.6 | Confident | 85.1 | Confident | 153 Ų | 153 | 107.2 Ų | 107.2 | 67% | 0.665 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -37.7 | 175.7 | -74.2 | -178.5 | 179.1 | -171.2 | 0 | 112.1 | I584 K585 M586 L591 | I584-K588 HydrophobicContact CG2-CD 4.4Å; I584-K588 WeakPolarHBondContact O-CG 3.5Å; I584-K588 PolarHBondContact O-N 2.85Å; K585-K588 PolarHBondContact O-N 3.36Å; M586-K588 VanDerWaalsContact C-N 3.34Å; M586-K588 PolarHBondContact O-N 2.83Å; K588-L591 WeakPolarHBondContact O-CB 3.44Å; K588-L591 PolarHBondContact O-N 3.45Å |
| 589 | K | 87.9 | Confident | 85 | Confident | 180 Ų | 180 | 105 Ų | 105 | 78% | 0.783 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 176 | -170.9 | -178.5 | 178.5 | -176 | 0 | 111.8 | K585 M586 I587 L591 | K585-K589 PolarHBondContact O-N 3Å; M586-K589 WeakPolarHBondContact O-CB 3.41Å; M586-K589 PolarHBondContact O-N 3.29Å; M586-K589 VanDerWaalsContact O-N 3.13Å; I587-K589 VanDerWaalsContact C-N 3.31Å; I587-K589 PolarHBondContact O-N 3.23Å; K589-L591 VanDerWaalsContact C-N 3.33Å |
| 590 | D | 88.4 | Confident | 85 | Confident | 74 Ų | 74 | 106.4 Ų | 106.4 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 10.1 | -178.2 | -69 | -22.1 | 0 | 0 | 0 | 113.7 | M586 I587 K592 K593 Y594 | M586-D590 PolarHBondContact O-N 3.46Å; I587-D590 CarbonylContact O-C 3.48Å; I587-D590 PolarHBondContact O-N 3.25Å; D590-K592 PolarHBondContact O-N 2.98Å; D590-K592 VanDerWaalsContact O-N 3.12Å; D590-K593 WeakPolarHBondContact O-CB 3.45Å; D590-K593 PolarHBondContact O-N 2.81Å; D590-Y594 HydrophobicContact CB-CD2 4.15Å; D590-Y594 HydrophobicContact CB-CE2 3.75Å; D590-Y594 VanDerWaalsContact O-CD2 3.31Å; D590-Y594 WeakPolarHBondContact O-CD2 3.38Å; D590-Y594 PolarHBondContact O-N 3.08Å |
| 591 | L | 83.1 | Confident | 84.6 | Confident | 108 Ų | 108 | 108.8 Ų | 108.8 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -55 | -37.2 | -174.8 | -172.8 | 66.9 | 0 | 0 | 0 | 112.8 | I587 K588 K589 K593 Y594 S595 | I587-L591 PolarHBondContact O-N 3.32Å; K588-L591 WeakPolarHBondContact O-CB 3.44Å; K588-L591 PolarHBondContact O-N 3.45Å; K589-L591 VanDerWaalsContact C-N 3.33Å; L591-K593 VanDerWaalsContact C-N 3.26Å; L591-K593 PolarHBondContact O-N 3.49Å; L591-Y594 PolarHBondContact O-N 2.8Å; L591-S595 VanDerWaalsContact O-CB 3.28Å; L591-S595 WeakPolarHBondContact O-CB 3.33Å; L591-S595 PolarHBondContact O-N 3Å |
| 592 | K | 85.5 | Confident | 84.2 | Confident | 179 Ų | 179 | 110.1 Ų | 110.1 | 78% | 0.778 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -31.7 | 177 | -68.1 | -174.7 | -179.9 | 179.7 | 0 | 112.9 | D590 K596 | D590-K592 PolarHBondContact O-N 2.98Å; D590-K592 VanDerWaalsContact O-N 3.12Å; K592-K596 WeakPolarHBondContact O-CG 3.42Å |
| 593 | K | 86.1 | Confident | 83.8 | Confident | 139 Ų | 139 | 113.7 Ų | 113.7 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73.3 | -47.2 | 176.9 | -175.4 | -177.8 | 176.7 | -175.7 | 0 | 110.2 | D590 L591 K596 I597 | D590-K593 WeakPolarHBondContact O-CB 3.45Å; D590-K593 PolarHBondContact O-N 2.81Å; L591-K593 VanDerWaalsContact C-N 3.26Å; L591-K593 PolarHBondContact O-N 3.49Å; K593-K596 PolarHBondContact O-N 3.04Å; K593-I597 WeakPolarHBondContact O-CG1 3.44Å; K593-I597 PolarHBondContact O-N 3.32Å |
| 594 | Y | 82.3 | Confident | 83.3 | Confident | 96 Ų | 96 | 115 Ų | 115 | 38% | 0.376 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 178 | -67.1 | -65.8 | 0 | 0 | 0 | 112.2 | D590 L591 K596 I597 F598 | D590-Y594 HydrophobicContact CB-CD2 4.15Å; D590-Y594 HydrophobicContact CB-CE2 3.75Å; D590-Y594 VanDerWaalsContact O-CD2 3.31Å; D590-Y594 WeakPolarHBondContact O-CD2 3.38Å; D590-Y594 PolarHBondContact O-N 3.08Å; L591-Y594 PolarHBondContact O-N 2.8Å; Y594-K596 VanDerWaalsContact C-N 3.32Å; Y594-K596 PolarHBondContact O-N 2.97Å; Y594-I597 WeakPolarHBondContact O-CB 3.44Å; Y594-I597 PolarHBondContact O-N 2.85Å; Y594-F598 WeakPolarHBondContact O-CD2 3.4Å; Y594-F598 PolarHBondContact O-N 3.23Å |
| 595 | S | 83.6 | Confident | 82.6 | Confident | 62 Ų | 62 | 115.2 Ų | 115.2 | 43% | 0.434 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 177.1 | 167.5 | 0 | 0 | 0 | 0 | 112.2 | L591 I597 F598 E599 | L591-S595 VanDerWaalsContact O-CB 3.28Å; L591-S595 WeakPolarHBondContact O-CB 3.33Å; L591-S595 PolarHBondContact O-N 3Å; S595-I597 VanDerWaalsContact C-N 3.32Å; S595-I597 PolarHBondContact O-N 3.08Å; S595-F598 PolarHBondContact O-N 3.18Å; S595-E599 VanDerWaalsContact O-CB 3.29Å; S595-E599 WeakPolarHBondContact O-CB 3.41Å; S595-E599 PolarHBondContact O-N 2.74Å |
| 596 | K | 85.5 | Confident | 81.9 | Confident | 140 Ų | 140 | 115.3 Ų | 115.3 | 61% | 0.609 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63 | -36.8 | 176.3 | -70.7 | -179.8 | 178.8 | -174.7 | 0 | 113 | K592 K593 Y594 Q600 | K592-K596 WeakPolarHBondContact O-CG 3.42Å; K593-K596 PolarHBondContact O-N 3.04Å; Y594-K596 VanDerWaalsContact C-N 3.32Å; Y594-K596 PolarHBondContact O-N 2.97Å; K596-Q600 WeakPolarHBondContact O-CB 3.42Å; K596-Q600 VanDerWaalsContact O-CG 3.23Å; K596-Q600 WeakPolarHBondContact O-CG 3.38Å; K596-Q600 PolarHBondContact O-N 2.91Å; K596-Q600 VanDerWaalsContact O-N 3.1Å |
| 597 | I | 83.9 | Confident | 81.3 | Confident | 72 Ų | 72 | 112.9 Ų | 112.9 | 37% | 0.369 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.5 | -46 | 178.9 | -63 | 167.4 | 0 | 0 | 0 | 110 | K593 Y594 S595 Q600 K601 | K593-I597 WeakPolarHBondContact O-CG1 3.44Å; K593-I597 PolarHBondContact O-N 3.32Å; Y594-I597 WeakPolarHBondContact O-CB 3.44Å; Y594-I597 PolarHBondContact O-N 2.85Å; S595-I597 VanDerWaalsContact C-N 3.32Å; S595-I597 PolarHBondContact O-N 3.08Å; I597-Q600 PolarHBondContact O-N 2.92Å; I597-K601 WeakPolarHBondContact O-CG 3.43Å; I597-K601 PolarHBondContact O-N 2.87Å |
| 598 | F | 80.1 | Confident | 80.6 | Confident | 106 Ų | 106 | 117.4 Ų | 117.4 | 47% | 0.465 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.7 | -44.2 | 177.9 | -73.7 | -65.5 | 0 | 0 | 0 | 111.9 | Y594 S595 Q600 K601 D602 | Y594-F598 WeakPolarHBondContact O-CD2 3.4Å; Y594-F598 PolarHBondContact O-N 3.23Å; S595-F598 PolarHBondContact O-N 3.18Å; F598-Q600 VanDerWaalsContact C-N 3.29Å; F598-Q600 PolarHBondContact O-N 3.05Å; F598-K601 WeakPolarHBondContact O-CB 3.48Å; F598-K601 PolarHBondContact O-N 3.06Å; F598-K601 VanDerWaalsContact O-N 3.08Å; F598-D602 WeakPolarHBondContact O-CB 3.5Å; F598-D602 VanDerWaalsContact O-CG 3.27Å; F598-D602 PolarHBondContact O-N 2.75Å |
| 599 | E | 79.8 | Confident | 79.6 | Confident | 124 Ų | 124 | 111.9 Ų | 111.9 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61 | -38.3 | 177.2 | -171.3 | -179.7 | -179.2 | 0 | 0 | 112.2 | S595 R603 | S595-E599 VanDerWaalsContact O-CB 3.29Å; S595-E599 WeakPolarHBondContact O-CB 3.41Å; S595-E599 PolarHBondContact O-N 2.74Å; E599-R603 VanDerWaalsContact O-CB 3.3Å; E599-R603 WeakPolarHBondContact O-CB 3.42Å; E599-R603 PolarHBondContact O-N 2.73Å |
| 600 | Q | 82.9 | Confident | 78.7 | Confident | 110 Ų | 110 | 106.1 Ų | 106.1 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 173.1 | -76.5 | 177.3 | 0.1 | 0 | 0 | 112.3 | K596 I597 F598 L604 | K596-Q600 WeakPolarHBondContact O-CB 3.42Å; K596-Q600 VanDerWaalsContact O-CG 3.23Å; K596-Q600 WeakPolarHBondContact O-CG 3.38Å; K596-Q600 PolarHBondContact O-N 2.91Å; K596-Q600 VanDerWaalsContact O-N 3.1Å; I597-Q600 PolarHBondContact O-N 2.92Å; F598-Q600 VanDerWaalsContact C-N 3.29Å; F598-Q600 PolarHBondContact O-N 3.05Å; Q600-L604 WeakPolarHBondContact O-CB 3.42Å; Q600-L604 WeakPolarHBondContact O-CD1 3.47Å; Q600-L604 VanDerWaalsContact O-CG 3.31Å; Q600-L604 WeakPolarHBondContact O-CG 3.12Å; Q600-L604 PolarHBondContact O-N 3.32Å |
| 601 | K | 79.3 | Confident | 78.1 | Confident | 105 Ų | 105 | 109 Ų | 109 | 46% | 0.457 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.8 | -76.1 | -176.8 | 174.4 | -170.7 | 0 | 111.7 | I597 F598 R603 L604 S605 | I597-K601 WeakPolarHBondContact O-CG 3.43Å; I597-K601 PolarHBondContact O-N 2.87Å; F598-K601 WeakPolarHBondContact O-CB 3.48Å; F598-K601 PolarHBondContact O-N 3.06Å; F598-K601 VanDerWaalsContact O-N 3.08Å; K601-R603 PolarHBondContact O-N 2.85Å; K601-L604 PolarHBondContact O-N 3.48Å; K601-S605 WeakPolarHBondContact O-CB 3.43Å; K601-S605 PolarHBondContact O-N 2.85Å |
| 602 | D | 76.1 | Confident | 77.7 | Confident | 107 Ų | 107 | 108.8 Ų | 108.8 | 57% | 0.572 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 179.5 | -69.3 | -11.5 | 0 | 0 | 0 | 110.7 | F598 L604 S605 Q606 | F598-D602 WeakPolarHBondContact O-CB 3.5Å; F598-D602 VanDerWaalsContact O-CG 3.27Å; F598-D602 PolarHBondContact O-N 2.75Å; D602-L604 PolarHBondContact O-N 2.85Å; D602-S605 PolarHBondContact O-N 2.89Å; D602-Q606 WeakPolarHBondContact O-CB 3.2Å; D602-Q606 PolarHBondContact O-N 2.86Å |
| 603 | R | 77.7 | Confident | 77.1 | Confident | 164 Ų | 164 | 104.7 Ų | 104.7 | 62% | 0.619 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 176 | -171 | 176.4 | 68.4 | -164 | 2.6 | 112.4 | E599 K601 Q606 S607 | E599-R603 VanDerWaalsContact O-CB 3.3Å; E599-R603 WeakPolarHBondContact O-CB 3.42Å; E599-R603 PolarHBondContact O-N 2.73Å; K601-R603 PolarHBondContact O-N 2.85Å; R603-Q606 PolarHBondContact O-N 3.15Å; R603-S607 WeakPolarHBondContact O-CB 3.23Å; R603-S607 PolarHBondContact O-N 3.32Å |
| 604 | L | 78.4 | Confident | 76.6 | Confident | 121 Ų | 121 | 101.4 Ų | 101.4 | 63% | 0.634 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 176 | -78.9 | 161.9 | 0 | 0 | 0 | 111.6 | Q600 K601 D602 Q606 S607 K608 | Q600-L604 WeakPolarHBondContact O-CB 3.42Å; Q600-L604 WeakPolarHBondContact O-CD1 3.47Å; Q600-L604 VanDerWaalsContact O-CG 3.31Å; Q600-L604 WeakPolarHBondContact O-CG 3.12Å; Q600-L604 PolarHBondContact O-N 3.32Å; K601-L604 PolarHBondContact O-N 3.48Å; D602-L604 PolarHBondContact O-N 2.85Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; L604-S607 PolarHBondContact O-N 3.48Å; L604-K608 WeakPolarHBondContact O-CB 3.42Å; L604-K608 PolarHBondContact O-N 2.83Å |
| 605 | S | 71.1 | Confident | 76.7 | Confident | 61 Ų | 61 | 100.2 Ų | 100.2 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175.4 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | K191 K601 D602 S607 K608 A609 | K191-S605 PolarHBondContact NZ-O 2.97Å; K601-S605 WeakPolarHBondContact O-CB 3.43Å; K601-S605 PolarHBondContact O-N 2.85Å; D602-S605 PolarHBondContact O-N 2.89Å; S605-S607 PolarHBondContact O-N 3.26Å; S605-K608 PolarHBondContact O-N 2.84Å; S605-A609 PolarHBondContact O-N 2.88Å |
| 606 | Q | 70.8 | Confident | 76.7 | Confident | 129 Ų | 129 | 103.2 Ų | 103.2 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.1 | -48.4 | 176.1 | -164.6 | 176.9 | 9.5 | 0 | 0 | 111 | K191 D602 R603 L604 S610 | K191-Q606 PolarHBondContact NZ-O 3.07Å; D602-Q606 WeakPolarHBondContact O-CB 3.2Å; D602-Q606 PolarHBondContact O-N 2.86Å; R603-Q606 PolarHBondContact O-N 3.15Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; Q606-S610 WeakPolarHBondContact O-CB 3.45Å; Q606-S610 PolarHBondContact O-N 2.93Å; Q606-S610 PolarHBondContact O-OG 2.79Å |
| 607 | S | 74.4 | Confident | 76.5 | Confident | 74 Ų | 74 | 104.6 Ų | 104.6 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 113.6 | R603 L604 S605 S610 K611 | R603-S607 WeakPolarHBondContact O-CB 3.23Å; R603-S607 PolarHBondContact O-N 3.32Å; L604-S607 PolarHBondContact O-N 3.48Å; S605-S607 PolarHBondContact O-N 3.26Å; S607-S610 WeakPolarHBondContact CA-OG 3.44Å; S607-S610 PolarHBondContact O-OG 3.05Å; S607-K611 WeakPolarHBondContact O-CB 3.46Å; S607-K611 PolarHBondContact O-N 2.82Å; S607-K611 VanDerWaalsContact O-N 3.11Å |
| 608 | K | 71.9 | Confident | 76.5 | Confident | 161 Ų | 161 | 108.5 Ų | 108.5 | 70% | 0.7 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.4 | -48 | 178.8 | -172.2 | -178.8 | 177.9 | -173.4 | 0 | 111.4 | L604 S605 K611 E612 | L604-K608 WeakPolarHBondContact O-CB 3.42Å; L604-K608 PolarHBondContact O-N 2.83Å; S605-K608 PolarHBondContact O-N 2.84Å; K608-K611 WeakPolarHBondContact O-CB 3.15Å; K608-K611 PolarHBondContact O-N 2.95Å; K608-E612 PolarHBondContact O-N 2.83Å |
| 609 | A | 62.5 | Low | 77 | Confident | 37 Ų | 37 | 106.2 Ų | 106.2 | 31% | 0.306 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -77.1 | -24.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | K191 S605 K611 L613 | K191-A609 HydrophobicContact CD-CB 4.27Å; S605-A609 PolarHBondContact O-N 2.88Å; A609-K611 VanDerWaalsContact C-N 3.33Å; A609-L613 WeakPolarHBondContact O-CB 3.31Å; A609-L613 PolarHBondContact O-N 2.87Å |
| 610 | S | 70.1 | Confident | 77.4 | Confident | 59 Ų | 59 | 106.6 Ų | 106.6 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 167.2 | 63.6 | 0 | 0 | 0 | 0 | 111 | Q606 S607 V614 | Q606-S610 WeakPolarHBondContact O-CB 3.45Å; Q606-S610 PolarHBondContact O-N 2.93Å; Q606-S610 PolarHBondContact O-OG 2.79Å; S607-S610 WeakPolarHBondContact CA-OG 3.44Å; S607-S610 PolarHBondContact O-OG 3.05Å; S610-V614 VanDerWaalsContact O-CB 3.27Å; S610-V614 WeakPolarHBondContact O-CB 3.28Å; S610-V614 WeakPolarHBondContact O-CG2 3.38Å; S610-V614 PolarHBondContact O-N 2.83Å |
| 611 | K | 75.8 | Confident | 77.5 | Confident | 136 Ų | 136 | 106.9 Ų | 106.9 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.1 | -48.4 | 174.7 | -172.7 | 177.9 | 178.3 | -177 | 0 | 112.2 | S607 K608 A609 L613 V614 D615 | S607-K611 WeakPolarHBondContact O-CB 3.46Å; S607-K611 PolarHBondContact O-N 2.82Å; S607-K611 VanDerWaalsContact O-N 3.11Å; K608-K611 WeakPolarHBondContact O-CB 3.15Å; K608-K611 PolarHBondContact O-N 2.95Å; A609-K611 VanDerWaalsContact C-N 3.33Å; K611-L613 PolarHBondContact O-N 2.88Å; K611-V614 PolarHBondContact O-N 2.87Å; K611-D615 WeakPolarHBondContact O-CB 3.37Å; K611-D615 PolarHBondContact O-N 3.34Å |
| 612 | E | 74.6 | Confident | 78.2 | Confident | 103 Ų | 103 | 106.1 Ų | 106.1 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 179.7 | -166.9 | -172.8 | 150.1 | 0 | 0 | 112.6 | K608 D615 K616 | K608-E612 PolarHBondContact O-N 2.83Å; E612-D615 PolarHBondContact O-N 2.73Å; E612-K616 PolarHBondContact O-N 3.38Å; E612-K616 IonicContact OE1-NZ 2.75Å; E612-K616 PolarHBondContact OE1-NZ 3.47Å; E612-K616 VanDerWaalsContact OE1-NZ 3.13Å |
| 613 | L | 73 | Confident | 78.9 | Confident | 93 Ų | 93 | 107.4 Ų | 107.4 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 175.6 | -167 | 101.5 | 0 | 0 | 0 | 111.4 | A609 K611 D615 K616 R617 | A609-L613 WeakPolarHBondContact O-CB 3.31Å; A609-L613 PolarHBondContact O-N 2.87Å; K611-L613 PolarHBondContact O-N 2.88Å; L613-D615 VanDerWaalsContact C-N 3.34Å; L613-K616 PolarHBondContact O-N 2.84Å; L613-R617 WeakPolarHBondContact O-CB 3.3Å; L613-R617 WeakPolarHBondContact O-CG 3.29Å; L613-R617 PolarHBondContact O-N 3.29Å |
| 614 | V | 75.5 | Confident | 79.6 | Confident | 69 Ų | 69 | 106.7 Ų | 106.7 | 42% | 0.418 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 176 | 168.3 | 0 | 0 | 0 | 0 | 110.7 | S610 K611 R617 R618 | S610-V614 VanDerWaalsContact O-CB 3.27Å; S610-V614 WeakPolarHBondContact O-CB 3.28Å; S610-V614 WeakPolarHBondContact O-CG2 3.38Å; S610-V614 PolarHBondContact O-N 2.83Å; K611-V614 PolarHBondContact O-N 2.87Å; V614-R617 PolarHBondContact O-N 3.38Å; V614-R618 WeakPolarHBondContact O-CB 3.37Å; V614-R618 PolarHBondContact O-N 2.95Å |
| 615 | D | 83.3 | Confident | 80.3 | Confident | 72 Ų | 72 | 106.9 Ų | 106.9 | 39% | 0.385 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 178.6 | -70 | -18.9 | 0 | 0 | 0 | 111.2 | K611 E612 L613 R618 A619 | K611-D615 WeakPolarHBondContact O-CB 3.37Å; K611-D615 PolarHBondContact O-N 3.34Å; E612-D615 PolarHBondContact O-N 2.73Å; L613-D615 VanDerWaalsContact C-N 3.34Å; D615-R618 PolarHBondContact O-N 2.77Å; D615-A619 WeakPolarHBondContact O-CB 3.31Å; D615-A619 PolarHBondContact O-N 3.43Å |
| 616 | K | 84 | Confident | 81.4 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 54% | 0.543 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 172.2 | -78.1 | 180 | -177.5 | 165.5 | 0 | 112.4 | E612 L613 R618 A619 M620 | E612-K616 PolarHBondContact O-N 3.38Å; E612-K616 IonicContact OE1-NZ 2.75Å; E612-K616 PolarHBondContact OE1-NZ 3.47Å; E612-K616 VanDerWaalsContact OE1-NZ 3.13Å; L613-K616 PolarHBondContact O-N 2.84Å; K616-R618 VanDerWaalsContact C-N 3.29Å; K616-R618 PolarHBondContact O-N 2.89Å; K616-A619 PolarHBondContact O-N 3.1Å; K616-M620 PolarHBondContact O-N 3.39Å |
| 617 | R | 81.3 | Confident | 82.4 | Confident | 168 Ų | 168 | 111.2 Ų | 111.2 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.5 | -38.5 | 176.2 | -76.4 | -179.6 | 177.2 | -178.2 | -0.3 | 111.6 | L613 V614 M621 | L613-R617 WeakPolarHBondContact O-CB 3.3Å; L613-R617 WeakPolarHBondContact O-CG 3.29Å; L613-R617 PolarHBondContact O-N 3.29Å; V614-R617 PolarHBondContact O-N 3.38Å; R617-M621 VanDerWaalsContact O-CB 3.3Å; R617-M621 WeakPolarHBondContact O-CB 3.08Å; R617-M621 PolarHBondContact O-N 3.4Å |
| 618 | R | 84.1 | Confident | 83.3 | Confident | 154 Ų | 154 | 114.3 Ų | 114.3 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 175.2 | -171.5 | -179.2 | -67.8 | -174.2 | -2.2 | 110.8 | V614 D615 K616 M621 E622 | V614-R618 WeakPolarHBondContact O-CB 3.37Å; V614-R618 PolarHBondContact O-N 2.95Å; D615-R618 PolarHBondContact O-N 2.77Å; K616-R618 VanDerWaalsContact C-N 3.29Å; K616-R618 PolarHBondContact O-N 2.89Å; R618-M621 PolarHBondContact O-N 3.1Å; R618-E622 WeakPolarHBondContact O-CB 3.38Å; R618-E622 PolarHBondContact O-N 3.32Å |
| 619 | A | 90.6 | Very high | 84.2 | Confident | 58 Ų | 58 | 111.3 Ų | 111.3 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | D615 K616 M621 E622 E623 | D615-A619 WeakPolarHBondContact O-CB 3.31Å; D615-A619 PolarHBondContact O-N 3.43Å; K616-A619 PolarHBondContact O-N 3.1Å; A619-M621 VanDerWaalsContact C-N 3.32Å; A619-M621 PolarHBondContact O-N 3.36Å; A619-E622 WeakPolarHBondContact O-CB 3.3Å; A619-E622 PolarHBondContact O-N 2.94Å; A619-E623 WeakPolarHBondContact O-CB 3.41Å; A619-E623 PolarHBondContact O-N 3.33Å |
| 620 | M | 88.5 | Confident | 85.6 | Confident | 132 Ų | 132 | 111.9 Ų | 111.9 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | 175.4 | -72 | 179.4 | 177 | 0 | 0 | 112.4 | K616 E623 Y624 | K616-M620 PolarHBondContact O-N 3.39Å; M620-E623 PolarHBondContact O-N 2.89Å; M620-Y624 WeakPolarHBondContact O-CB 3.49Å; M620-Y624 PolarHBondContact O-N 3.2Å |
| 621 | M | 85.6 | Confident | 86.5 | Confident | 117 Ų | 117 | 111.1 Ų | 111.1 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.5 | -37.7 | 176.5 | -171.3 | -174.6 | -69.2 | 0 | 0 | 111.7 | R617 R618 A619 R625 | R617-M621 VanDerWaalsContact O-CB 3.3Å; R617-M621 WeakPolarHBondContact O-CB 3.08Å; R617-M621 PolarHBondContact O-N 3.4Å; R618-M621 PolarHBondContact O-N 3.1Å; A619-M621 VanDerWaalsContact C-N 3.32Å; A619-M621 PolarHBondContact O-N 3.36Å; M621-R625 VanDerWaalsContact O-CB 3.31Å; M621-R625 WeakPolarHBondContact O-CB 3.42Å; M621-R625 PolarHBondContact O-N 3.42Å |
| 622 | E | 92.2 | Very high | 87.1 | Confident | 89 Ų | 89 | 108.7 Ų | 108.7 | 42% | 0.416 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 175.2 | -155.8 | 78.7 | -152.5 | 0 | 0 | 110.8 | R618 A619 R625 Q626 | R618-E622 WeakPolarHBondContact O-CB 3.38Å; R618-E622 PolarHBondContact O-N 3.32Å; A619-E622 WeakPolarHBondContact O-CB 3.3Å; A619-E622 PolarHBondContact O-N 2.94Å; E622-R625 WeakPolarHBondContact O-CB 3.41Å; E622-R625 PolarHBondContact O-N 3.03Å; E622-R625 VanDerWaalsContact O-N 3.16Å; E622-Q626 WeakPolarHBondContact O-CG 3.38Å; E622-Q626 PolarHBondContact O-N 3.26Å |
| 623 | E | 92.6 | Very high | 87.8 | Confident | 133 Ų | 133 | 109.4 Ų | 109.4 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 176.7 | -171.9 | 177.1 | -170.4 | 0 | 0 | 111.3 | A619 M620 R625 Q626 Y627 | A619-E623 WeakPolarHBondContact O-CB 3.41Å; A619-E623 PolarHBondContact O-N 3.33Å; M620-E623 PolarHBondContact O-N 2.89Å; E623-R625 VanDerWaalsContact C-N 3.32Å; E623-R625 PolarHBondContact O-N 3.41Å; E623-Q626 PolarHBondContact O-N 3.16Å; E623-Y627 WeakPolarHBondContact O-CB 3.41Å; E623-Y627 PolarHBondContact O-N 2.93Å |
| 624 | Y | 91.9 | Very high | 88.5 | Confident | 149 Ų | 149 | 109.4 Ų | 109.4 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | 173.5 | -178.7 | -104.4 | 0 | 0 | 0 | 112.2 | M620 Y627 R628 | M620-Y624 WeakPolarHBondContact O-CB 3.49Å; M620-Y624 PolarHBondContact O-N 3.2Å; Y624-Y627 PolarHBondContact O-N 3.19Å; Y624-R628 VanDerWaalsContact O-CB 3.28Å; Y624-R628 WeakPolarHBondContact O-CB 3.41Å; Y624-R628 PolarHBondContact O-N 2.88Å |
| 625 | R | 92.3 | Very high | 88.9 | Confident | 125 Ų | 125 | 111.3 Ų | 111.3 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 176.9 | -173.5 | -178.8 | -66 | 171.8 | -0.6 | 111.1 | M621 E622 E623 R628 E629 | M621-R625 VanDerWaalsContact O-CB 3.31Å; M621-R625 WeakPolarHBondContact O-CB 3.42Å; M621-R625 PolarHBondContact O-N 3.42Å; E622-R625 WeakPolarHBondContact O-CB 3.41Å; E622-R625 PolarHBondContact O-N 3.03Å; E622-R625 VanDerWaalsContact O-N 3.16Å; E623-R625 VanDerWaalsContact C-N 3.32Å; E623-R625 PolarHBondContact O-N 3.41Å; R625-R628 PolarHBondContact O-N 2.83Å; R625-E629 WeakPolarHBondContact O-CB 3.37Å; R625-E629 WeakPolarHBondContact O-CG 3.39Å; R625-E629 PolarHBondContact O-N 2.98Å |
| 626 | Q | 93.8 | Very high | 88.9 | Confident | 117 Ų | 117 | 113.8 Ų | 113.8 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 175.9 | -72.6 | 174.7 | 16.3 | 0 | 0 | 111.4 | E622 E623 R628 E629 A630 | E622-Q626 WeakPolarHBondContact O-CG 3.38Å; E622-Q626 PolarHBondContact O-N 3.26Å; E623-Q626 PolarHBondContact O-N 3.16Å; Q626-R628 VanDerWaalsContact C-N 3.35Å; Q626-R628 PolarHBondContact O-N 3.25Å; Q626-E629 PolarHBondContact O-N 3.49Å; Q626-A630 VanDerWaalsContact O-CB 3.31Å; Q626-A630 WeakPolarHBondContact O-CB 3.31Å; Q626-A630 PolarHBondContact O-N 3.43Å |
| 627 | Y | 93.1 | Very high | 89 | Confident | 164 Ų | 164 | 114.7 Ų | 114.7 | 64% | 0.643 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.9 | -46.4 | 173.6 | 170.7 | -100.6 | 0 | 0 | 0 | 111.6 | E623 Y624 A630 A631 | E623-Y627 WeakPolarHBondContact O-CB 3.41Å; E623-Y627 PolarHBondContact O-N 2.93Å; Y624-Y627 PolarHBondContact O-N 3.19Å; Y627-A630 PolarHBondContact O-N 2.97Å; Y627-A631 VanDerWaalsContact O-CB 3.29Å; Y627-A631 WeakPolarHBondContact O-CB 3.48Å; Y627-A631 PolarHBondContact O-N 3.13Å |
| 628 | R | 92 | Very high | 89.1 | Confident | 139 Ų | 139 | 111.1 Ų | 111.1 | 53% | 0.525 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 178.8 | -175.8 | -178.3 | 176.1 | -171.4 | 1.8 | 111.7 | Y624 R625 Q626 A631 Q632 | Y624-R628 VanDerWaalsContact O-CB 3.28Å; Y624-R628 WeakPolarHBondContact O-CB 3.41Å; Y624-R628 PolarHBondContact O-N 2.88Å; R625-R628 PolarHBondContact O-N 2.83Å; Q626-R628 VanDerWaalsContact C-N 3.35Å; Q626-R628 PolarHBondContact O-N 3.25Å; R628-A631 PolarHBondContact O-N 2.97Å; R628-Q632 WeakPolarHBondContact O-CB 3.22Å; R628-Q632 VanDerWaalsContact O-CG 3.27Å; R628-Q632 WeakPolarHBondContact O-CG 3.39Å; R628-Q632 PolarHBondContact O-N 3.29Å |
| 629 | E | 92.6 | Very high | 88.9 | Confident | 98 Ų | 98 | 106.4 Ų | 106.4 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 176.8 | -77.5 | 175.8 | -168.3 | 0 | 0 | 111.3 | R625 Q626 Q632 Q633 | R625-E629 WeakPolarHBondContact O-CB 3.37Å; R625-E629 WeakPolarHBondContact O-CG 3.39Å; R625-E629 PolarHBondContact O-N 2.98Å; Q626-E629 PolarHBondContact O-N 3.49Å; E629-Q632 PolarHBondContact O-N 2.79Å; E629-Q633 WeakPolarHBondContact O-CB 3.33Å; E629-Q633 VanDerWaalsContact O-CG 3.29Å; E629-Q633 WeakPolarHBondContact O-CG 3.37Å; E629-Q633 PolarHBondContact O-N 2.63Å |
| 630 | A | 91.9 | Very high | 88.4 | Confident | 50 Ų | 50 | 107.3 Ų | 107.3 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q626 Y627 Q632 Q633 L634 | Q626-A630 VanDerWaalsContact O-CB 3.31Å; Q626-A630 WeakPolarHBondContact O-CB 3.31Å; Q626-A630 PolarHBondContact O-N 3.43Å; Y627-A630 PolarHBondContact O-N 2.97Å; A630-Q632 PolarHBondContact O-N 3.34Å; A630-Q633 PolarHBondContact O-N 3.06Å; A630-L634 WeakPolarHBondContact O-CB 3.36Å; A630-L634 PolarHBondContact O-N 3.29Å |
| 631 | A | 88.9 | Confident | 88 | Confident | 42 Ų | 42 | 105.7 Ų | 105.7 | 35% | 0.347 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y627 R628 L634 Y635 | Y627-A631 VanDerWaalsContact O-CB 3.29Å; Y627-A631 WeakPolarHBondContact O-CB 3.48Å; Y627-A631 PolarHBondContact O-N 3.13Å; R628-A631 PolarHBondContact O-N 2.97Å; A631-L634 PolarHBondContact O-N 3.23Å; A631-Y635 VanDerWaalsContact O-CB 3.28Å; A631-Y635 WeakPolarHBondContact O-CB 3.15Å; A631-Y635 PolarHBondContact O-N 3.46Å |
| 632 | Q | 88 | Confident | 87.7 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 40% | 0.402 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 174.3 | -79.1 | 177.9 | -23 | 0 | 0 | 111.9 | R628 E629 A630 Y635 H636 | R628-Q632 WeakPolarHBondContact O-CB 3.22Å; R628-Q632 VanDerWaalsContact O-CG 3.27Å; R628-Q632 WeakPolarHBondContact O-CG 3.39Å; R628-Q632 PolarHBondContact O-N 3.29Å; E629-Q632 PolarHBondContact O-N 2.79Å; A630-Q632 PolarHBondContact O-N 3.34Å; Q632-Y635 WeakPolarHBondContact O-CB 3.46Å; Q632-Y635 PolarHBondContact O-N 3.42Å; Q632-H636 PolarHBondContact O-CD2 2.97Å; Q632-H636 PolarHBondContact O-N 2.88Å |
| 633 | Q | 88.9 | Confident | 86.9 | Confident | 118 Ų | 118 | 99.8 Ų | 99.8 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.8 | -46.4 | 174.9 | -74.6 | 172.9 | 4.2 | 0 | 0 | 111.1 | E629 A630 Y635 H636 E637 | E629-Q633 WeakPolarHBondContact O-CB 3.33Å; E629-Q633 VanDerWaalsContact O-CG 3.29Å; E629-Q633 WeakPolarHBondContact O-CG 3.37Å; E629-Q633 PolarHBondContact O-N 2.63Å; A630-Q633 PolarHBondContact O-N 3.06Å; Q633-Y635 VanDerWaalsContact C-N 3.3Å; Q633-Y635 PolarHBondContact O-N 3.08Å; Q633-H636 PolarHBondContact O-N 2.73Å; Q633-H636 VanDerWaalsContact O-N 3.14Å; Q633-E637 WeakPolarHBondContact O-CG 3.42Å; Q633-E637 PolarHBondContact O-N 2.71Å |
| 634 | L | 87.1 | Confident | 86.1 | Confident | 92 Ų | 92 | 100.8 Ų | 100.8 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 177.7 | -138.8 | 153 | 0 | 0 | 0 | 111.3 | A630 A631 E637 Q638 | A630-L634 WeakPolarHBondContact O-CB 3.36Å; A630-L634 PolarHBondContact O-N 3.29Å; A631-L634 PolarHBondContact O-N 3.23Å; L634-E637 PolarHBondContact O-N 3.48Å; L634-Q638 HydrophobicContact CD2-CG 4.19Å; L634-Q638 WeakPolarHBondContact O-CB 3.2Å; L634-Q638 VanDerWaalsContact O-CG 3.25Å; L634-Q638 WeakPolarHBondContact O-CG 3.3Å; L634-Q638 PolarHBondContact O-N 2.99Å |
| 635 | Y | 83.9 | Confident | 85.4 | Confident | 109 Ų | 109 | 100.4 Ų | 100.4 | 43% | 0.427 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 173.2 | -171.9 | -99.6 | 0 | 0 | 0 | 112.2 | A631 Q632 Q633 K639 R642 D652 | A631-Y635 VanDerWaalsContact O-CB 3.28Å; A631-Y635 WeakPolarHBondContact O-CB 3.15Å; A631-Y635 PolarHBondContact O-N 3.46Å; Q632-Y635 WeakPolarHBondContact O-CB 3.46Å; Q632-Y635 PolarHBondContact O-N 3.42Å; Q633-Y635 VanDerWaalsContact C-N 3.3Å; Q633-Y635 PolarHBondContact O-N 3.08Å; Y635-K639 PolarHBondContact O-N 2.87Å; Y635-R642 VanDerWaalsContact CD1-NH2 3.28Å; Y635-R642 VanDerWaalsContact CE2-CZ 3.44Å; Y635-R642 VanDerWaalsContact CE2-NH1 3.3Å; Y635-R642 VanDerWaalsContact CZ-NH2 3.32Å; Y635-R642 PolarHBondContact O-NH2 2.81Å; Y635-R642 PolarHBondContact OH-NH1 3.26Å; Y635-D652 WeakPolarHBondContact CE1-OD2 3.5Å; Y635-D652 PolarHBondContact OH-OD1 2.96Å |
| 636 | H | 83.8 | Confident | 84.6 | Confident | 124 Ų | 124 | 100.5 Ų | 100.5 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68.8 | -40.9 | 176.2 | -73.8 | -56.4 | 0 | 0 | 0 | 112.7 | Q632 Q633 Q638 K639 | Q632-H636 PolarHBondContact O-CD2 2.97Å; Q632-H636 PolarHBondContact O-N 2.88Å; Q633-H636 PolarHBondContact O-N 2.73Å; Q633-H636 VanDerWaalsContact O-N 3.14Å; H636-Q638 VanDerWaalsContact C-N 3.31Å; H636-Q638 PolarHBondContact O-N 2.76Å; H636-K639 WeakPolarHBondContact O-CB 3.48Å; H636-K639 PolarHBondContact O-N 2.93Å; H636-K639 VanDerWaalsContact O-N 3.09Å |
| 637 | E | 85.8 | Confident | 83.6 | Confident | 145 Ų | 145 | 98.3 Ų | 98.3 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 174.7 | -75 | 178.9 | 177.1 | 0 | 0 | 111.4 | Q633 L634 K639 S640 | Q633-E637 WeakPolarHBondContact O-CG 3.42Å; Q633-E637 PolarHBondContact O-N 2.71Å; L634-E637 PolarHBondContact O-N 3.48Å; E637-K639 PolarHBondContact O-N 2.95Å; E637-S640 PolarHBondContact O-OG 3.11Å |
| 638 | Q | 83.4 | Confident | 82.2 | Confident | 92 Ų | 92 | 93.2 Ų | 93.2 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -5.9 | 175.9 | -71.1 | -179.6 | -4 | 0 | 0 | 113.5 | L634 H636 S640 L641 R642 | L634-Q638 HydrophobicContact CD2-CG 4.19Å; L634-Q638 WeakPolarHBondContact O-CB 3.2Å; L634-Q638 VanDerWaalsContact O-CG 3.25Å; L634-Q638 WeakPolarHBondContact O-CG 3.3Å; L634-Q638 PolarHBondContact O-N 2.99Å; H636-Q638 VanDerWaalsContact C-N 3.31Å; H636-Q638 PolarHBondContact O-N 2.76Å; Q638-S640 VanDerWaalsContact C-N 3.31Å; Q638-S640 PolarHBondContact O-N 3.27Å; Q638-L641 PolarHBondContact O-N 3.45Å; Q638-R642 WeakPolarHBondContact O-CB 3.43Å; Q638-R642 VanDerWaalsContact O-CG 3.29Å; Q638-R642 WeakPolarHBondContact O-CG 3.03Å; Q638-R642 PolarHBondContact O-N 2.93Å |
| 639 | K | 80.1 | Confident | 81 | Confident | 56 Ų | 56 | 91.1 Ų | 91.1 | 24% | 0.243 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -59.1 | -41.9 | -177.4 | -173.5 | 174.2 | 177 | 173.9 | 0 | 111.8 | Y635 H636 E637 R642 L643 D650 | Y635-K639 PolarHBondContact O-N 2.87Å; H636-K639 WeakPolarHBondContact O-CB 3.48Å; H636-K639 PolarHBondContact O-N 2.93Å; H636-K639 VanDerWaalsContact O-N 3.09Å; E637-K639 PolarHBondContact O-N 2.95Å; K639-R642 PolarHBondContact O-N 2.69Å; K639-L643 HydrophobicContact CG-CD1 3.88Å; K639-L643 WeakPolarHBondContact O-CB 3.36Å; K639-L643 WeakPolarHBondContact O-CD1 3.2Å; K639-L643 WeakPolarHBondContact O-CG 3Å; K639-L643 PolarHBondContact O-N 3.33Å; K639-D650 WeakPolarHBondContact CE-OD1 3.48Å; K639-D650 WeakPolarHBondContact CE-OD2 3.41Å; K639-D650 IonicContact NZ-OD1 3.38Å; K639-D650 IonicContact NZ-OD2 3.99Å; K639-D650 PolarHBondContact NZ-OD2 3.48Å |
| 640 | S | 79.5 | Confident | 79.6 | Confident | 76 Ų | 76 | 88.8 Ų | 88.8 | 53% | 0.531 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 177.5 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | E637 Q638 R642 L643 E644 | E637-S640 PolarHBondContact O-OG 3.11Å; Q638-S640 VanDerWaalsContact C-N 3.31Å; Q638-S640 PolarHBondContact O-N 3.27Å; S640-R642 VanDerWaalsContact C-N 3.35Å; S640-R642 PolarHBondContact O-N 2.86Å; S640-L643 WeakPolarHBondContact O-CB 3.5Å; S640-L643 PolarHBondContact O-N 2.81Å; S640-E644 WeakPolarHBondContact O-CG 3.47Å; S640-E644 PolarHBondContact O-N 2.7Å |
| 641 | L | 80.1 | Confident | 78.3 | Confident | 98 Ų | 98 | 89.8 Ų | 89.8 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176.9 | -160.8 | 87.7 | 0 | 0 | 0 | 111.6 | Q638 E644 L645 | Q638-L641 PolarHBondContact O-N 3.45Å; L641-E644 PolarHBondContact O-N 2.96Å; L641-L645 HydrophobicContact CD2-CD1 4.29Å; L641-L645 HydrophobicContact CG-CD1 4.24Å; L641-L645 WeakPolarHBondContact O-CB 3.12Å; L641-L645 VanDerWaalsContact O-CG 3.29Å; L641-L645 WeakPolarHBondContact O-CG 3.47Å; L641-L645 PolarHBondContact O-N 3.02Å |
| 642 | R | 79.1 | Confident | 77.2 | Confident | 35 Ų | 35 | 89.7 Ų | 89.7 | 13% | 0.132 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 177.7 | -71.6 | -173.7 | -65.6 | 122.6 | 1.5 | 111.8 | Y635 Q638 K639 S640 R646 D652 | Y635-R642 VanDerWaalsContact CD1-NH2 3.28Å; Y635-R642 VanDerWaalsContact CE2-CZ 3.44Å; Y635-R642 VanDerWaalsContact CE2-NH1 3.3Å; Y635-R642 VanDerWaalsContact CZ-NH2 3.32Å; Y635-R642 PolarHBondContact O-NH2 2.81Å; Y635-R642 PolarHBondContact OH-NH1 3.26Å; Q638-R642 WeakPolarHBondContact O-CB 3.43Å; Q638-R642 VanDerWaalsContact O-CG 3.29Å; Q638-R642 WeakPolarHBondContact O-CG 3.03Å; Q638-R642 PolarHBondContact O-N 2.93Å; K639-R642 PolarHBondContact O-N 2.69Å; S640-R642 VanDerWaalsContact C-N 3.35Å; S640-R642 PolarHBondContact O-N 2.86Å; R642-R646 VanDerWaalsContact O-CB 3.27Å; R642-R646 WeakPolarHBondContact O-CB 3.33Å; R642-R646 WeakPolarHBondContact O-CD 3.28Å; R642-R646 WeakPolarHBondContact O-CG 3.41Å; R642-R646 PolarHBondContact O-N 3.31Å; R642-R646 VanDerWaalsContact O-N 3.09Å; R642-D652 IonicContact CZ-OD1 3.85Å; R642-D652 IonicContact CZ-OD2 3.18Å; R642-D652 VanDerWaalsContact CZ-OD2 3.3Å; R642-D652 IonicContact NH1-OD1 2.76Å; R642-D652 PolarHBondContact NH1-OD1 3.42Å; R642-D652 IonicContact NH1-OD2 2.74Å; R642-D652 PolarHBondContact NH1-OD2 2.94Å; R642-D652 IonicContact NH2-OD1 3.72Å; R642-D652 IonicContact NH2-OD2 3.65Å; R642-D652 PolarHBondContact NH2-OD2 2.92Å |
| 643 | L | 75.5 | Confident | 75.7 | Confident | 48 Ų | 48 | 91.8 Ų | 91.8 | 25% | 0.251 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 173 | -86.3 | 154.7 | 0 | 0 | 0 | 112.1 | K639 S640 R646 G647 G648 D650 | K639-L643 HydrophobicContact CG-CD1 3.88Å; K639-L643 WeakPolarHBondContact O-CB 3.36Å; K639-L643 WeakPolarHBondContact O-CD1 3.2Å; K639-L643 WeakPolarHBondContact O-CG 3Å; K639-L643 PolarHBondContact O-N 3.33Å; S640-L643 WeakPolarHBondContact O-CB 3.5Å; S640-L643 PolarHBondContact O-N 2.81Å; L643-R646 CarbonylContact O-C 3.47Å; L643-R646 PolarHBondContact O-N 2.88Å; L643-G647 PolarHBondContact O-N 3.12Å; L643-G648 PolarHBondContact O-N 3.27Å; L643-D650 HydrophobicContact CD2-CB 3.84Å |
| 644 | E | 77.6 | Confident | 74 | Confident | 153 Ų | 153 | 93.1 Ų | 93.1 | 72% | 0.715 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -46.8 | 176.5 | -75.6 | -179.6 | 177.2 | 0 | 0 | 111.9 | S640 L641 R646 G647 | S640-E644 WeakPolarHBondContact O-CG 3.47Å; S640-E644 PolarHBondContact O-N 2.7Å; L641-E644 PolarHBondContact O-N 2.96Å; E644-R646 PolarHBondContact O-N 3.13Å; E644-G647 PolarHBondContact O-N 3.42Å |
| 645 | L | 76.7 | Confident | 72.3 | Confident | 141 Ų | 141 | 95.9 Ų | 95.9 | 74% | 0.738 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.4 | -21.1 | 178.9 | -70.2 | 169.3 | 0 | 0 | 0 | 113.3 | L641 | L641-L645 HydrophobicContact CD2-CD1 4.29Å; L641-L645 HydrophobicContact CG-CD1 4.24Å; L641-L645 WeakPolarHBondContact O-CB 3.12Å; L641-L645 VanDerWaalsContact O-CG 3.29Å; L641-L645 WeakPolarHBondContact O-CG 3.47Å; L641-L645 PolarHBondContact O-N 3.02Å |
| 646 | R | 74.9 | Confident | 70.6 | Confident | 127 Ų | 127 | 93.7 Ų | 93.7 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 13.4 | 179.9 | -66.3 | 175.1 | -178.2 | -177.4 | 0 | 113.5 | R642 L643 E644 G648 T651 | R642-R646 VanDerWaalsContact O-CB 3.27Å; R642-R646 WeakPolarHBondContact O-CB 3.33Å; R642-R646 WeakPolarHBondContact O-CD 3.28Å; R642-R646 WeakPolarHBondContact O-CG 3.41Å; R642-R646 PolarHBondContact O-N 3.31Å; R642-R646 VanDerWaalsContact O-N 3.09Å; L643-R646 CarbonylContact O-C 3.47Å; L643-R646 PolarHBondContact O-N 2.88Å; E644-R646 PolarHBondContact O-N 3.13Å; R646-G648 VanDerWaalsContact C-N 3.33Å; R646-G648 PolarHBondContact O-N 3.5Å; R646-T651 PolarHBondContact NH1-OG1 3.43Å |
| 647 | G | 72.2 | Confident | 69.1 | Low | 72 Ų | 72 | 92.1 Ų | 92.1 | 74% | 0.742 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 27.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L643 E644 | L643-G647 PolarHBondContact O-N 3.12Å; E644-G647 PolarHBondContact O-N 3.42Å |
| 648 | G | 65.3 | Low | 67.4 | Low | 57 Ų | 57 | 90.5 Ų | 90.5 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 7.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.8 | L643 R646 | L643-G648 PolarHBondContact O-N 3.27Å; R646-G648 VanDerWaalsContact C-N 3.33Å; R646-G648 PolarHBondContact O-N 3.5Å |
| 649 | V | 65.1 | Low | 65.9 | Low | 95 Ų | 95 | 93.7 Ų | 93.7 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | trans | -87.7 | 115.9 | 174.5 | -176 | 0 | 0 | 0 | 0 | 109.8 | T651 | V649-T651 HydrophobicContact CG1-CG2 4.18Å; V649-T651 PolarHBondContact O-N 3.17Å | ||
| 650 | D | 63.8 | Low | 64.5 | Low | 49 Ų | 49 | 97 Ų | 97 | 26% | 0.262 | 55% | 0.546 | S | S | . | . | trans | -82.3 | 99.4 | 176 | -161.3 | -7.7 | 0 | 0 | 0 | 110.2 | K639 L643 D652 | K639-D650 WeakPolarHBondContact CE-OD1 3.48Å; K639-D650 WeakPolarHBondContact CE-OD2 3.41Å; K639-D650 IonicContact NZ-OD1 3.38Å; K639-D650 IonicContact NZ-OD2 3.99Å; K639-D650 PolarHBondContact NZ-OD2 3.48Å; L643-D650 HydrophobicContact CD2-CB 3.84Å; D650-D652 VanDerWaalsContact C-N 3.33Å; D650-D652 WeakPolarHBondContact OD1-CB 3.12Å; D650-D652 PolarHBondContact OD1-N 2.98Å | ||
| 651 | T | 65.6 | Low | 62.9 | Low | 70 Ų | 70 | 102.2 Ų | 102.2 | 43% | 0.429 | 55% | 0.554 | S | S | . | * | trans | -89.6 | 3.9 | 177.3 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | R646 V649 | R646-T651 PolarHBondContact NH1-OG1 3.43Å; V649-T651 HydrophobicContact CG1-CG2 4.18Å; V649-T651 PolarHBondContact O-N 3.17Å | ||
| 652 | D | 63.9 | Low | 61.5 | Low | 40 Ų | 40 | 106.1 Ų | 106.1 | 21% | 0.214 | 57% | 0.57 | C | S | . | * | trans | -86.5 | -12.1 | -178.6 | -74.4 | -9.6 | 0 | 0 | 0 | 112.8 | Y635 R642 D650 | Y635-D652 WeakPolarHBondContact CE1-OD2 3.5Å; Y635-D652 PolarHBondContact OH-OD1 2.96Å; R642-D652 IonicContact CZ-OD1 3.85Å; R642-D652 IonicContact CZ-OD2 3.18Å; R642-D652 VanDerWaalsContact CZ-OD2 3.3Å; R642-D652 IonicContact NH1-OD1 2.76Å; R642-D652 PolarHBondContact NH1-OD1 3.42Å; R642-D652 IonicContact NH1-OD2 2.74Å; R642-D652 PolarHBondContact NH1-OD2 2.94Å; R642-D652 IonicContact NH2-OD1 3.72Å; R642-D652 IonicContact NH2-OD2 3.65Å; R642-D652 PolarHBondContact NH2-OD2 2.92Å; D650-D652 VanDerWaalsContact C-N 3.33Å; D650-D652 WeakPolarHBondContact OD1-CB 3.12Å; D650-D652 PolarHBondContact OD1-N 2.98Å | ||
| 653 | E | 57.5 | Low | 60.1 | Low | 130 Ų | 130 | 112.6 Ų | 112.6 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -84.4 | 116 | 170.9 | -69.8 | -169.9 | 169.6 | 0 | 0 | 109.8 | D655 S656 | E653-D655 PolarHBondContact O-N 3.43Å; E653-S656 PolarHBondContact O-N 3.43Å; E653-S656 VanDerWaalsContact O-N 3.17Å; E653-S656 PolarHBondContact O-OG 3.27Å |
| 654 | L | 53.6 | Low | 58.6 | Low | 147 Ų | 147 | 118.1 Ų | 118.1 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -5 | -176.7 | -113 | 101.9 | 0 | 0 | 0 | 115.1 | W661 | L654-W661 HydrophobicContact CD2-CZ2 4.42Š|
| 655 | D | 50.6 | Low | 57.3 | Low | 149 Ų | 149 | 115.9 Ų | 115.9 | 80% | 0.797 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 2.2 | 178.4 | -102.6 | -7.5 | 0 | 0 | 0 | 113.7 | E653 | E653-D655 PolarHBondContact O-N 3.43Š|
| 656 | S | 49.2 | Very low | 56 | Low | 64 Ų | 64 | 114.8 Ų | 114.8 | 45% | 0.448 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -92.4 | 3.5 | -175.5 | 57.6 | 0 | 0 | 0 | 0 | 115.7 | E653 | E653-S656 PolarHBondContact O-N 3.43Å; E653-S656 VanDerWaalsContact O-N 3.17Å; E653-S656 PolarHBondContact O-OG 3.27Å |
| 657 | N | 51.8 | Low | 54.8 | Low | 91 Ų | 91 | 117 Ų | 117 | 49% | 0.487 | 63% | 0.633 | S | S | . | * | trans | -157.9 | 77.5 | 174.6 | -104.7 | 1.3 | 0 | 0 | 0 | 112.2 | D659 D660 W661 | N657-D659 VanDerWaalsContact C-N 3.27Å; N657-D660 HydrophobicContact CB-CB 4.48Å; N657-D660 PolarHBondContact ND2-OD2 2.88Å; N657-W661 PolarHBondContact O-NE1 3.25Å | ||
| 658 | V | 50.3 | Low | 53.6 | Low | 110 Ų | 110 | 121.8 Ų | 121.8 | 67% | 0.667 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -75.8 | -18.3 | 170.3 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 659 | D | 52.6 | Low | 52.7 | Low | 159 Ų | 159 | 127.1 Ų | 127.1 | 85% | 0.85 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -2.7 | -174.8 | -74.7 | -27.4 | 0 | 0 | 0 | 115.2 | N657 | N657-D659 VanDerWaalsContact C-N 3.27Š|
| 660 | D | 49.3 | Very low | 52.8 | Low | 127 Ų | 127 | 130 Ų | 130 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 17.7 | -178.5 | -88.8 | -18.8 | 0 | 0 | 0 | 113.7 | N657 E662 | N657-D660 HydrophobicContact CB-CB 4.48Å; N657-D660 PolarHBondContact ND2-OD2 2.88Å; D660-E662 PolarHBondContact O-N 3.05Å |
| 661 | W | 46.6 | Very low | 52.5 | Low | 184 Ų | 184 | 135 Ų | 135 | 70% | 0.697 | 68% | 0.678 | S | S | * | * | trans | -83.2 | 89.9 | 171.5 | -73.8 | 78 | 0 | 0 | 0 | 110.4 | L654 N657 | L654-W661 HydrophobicContact CD2-CZ2 4.42Å; N657-W661 PolarHBondContact O-NE1 3.25Å | ||
| 662 | E | 51.1 | Low | 52.4 | Low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 69% | 0.688 | S | S | * | * | trans | -82.5 | 106.1 | 153.1 | -78.7 | -173 | 161.2 | 0 | 0 | 108.1 | D660 E664 | D660-E662 PolarHBondContact O-N 3.05Å; E662-E664 VanDerWaalsContact C-N 3.27Å; E662-E664 PolarHBondContact O-N 3.02Å | ||
| 663 | E | 49.5 | Very low | 51.7 | Low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -62.8 | 89.2 | 164.6 | -100.2 | -175.6 | 157.5 | 0 | 0 | 108.8 | T665 | E663-T665 VanDerWaalsContact C-N 3.3Å; E663-T665 PolarHBondContact O-N 2.81Å | ||
| 664 | E | 43.8 | Very low | 52.1 | Low | 164 Ų | 164 | 145 Ų | 145 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -69.8 | 94.8 | 161.9 | -92.9 | -167.1 | 158.1 | 0 | 0 | 108.5 | E662 I666 | E662-E664 VanDerWaalsContact C-N 3.27Å; E662-E664 PolarHBondContact O-N 3.02Å; E664-I666 PolarHBondContact O-N 2.73Å | ||
| 665 | T | 49.9 | Very low | 52.5 | Low | 106 Ų | 106 | 144 Ų | 144 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | trans | -71.6 | 97.5 | 167.1 | -47 | 0 | 0 | 0 | 0 | 107.2 | E663 E667 | E663-T665 VanDerWaalsContact C-N 3.3Å; E663-T665 PolarHBondContact O-N 2.81Å; T665-E667 HydrophobicContact CG2-CG 4.19Å; T665-E667 PolarHBondContact O-N 3.46Å | ||
| 666 | I | 50.5 | Low | 53 | Low | 118 Ų | 118 | 142.4 Ų | 142.4 | 61% | 0.605 | 71% | 0.714 | S | S | * | * | trans | -78 | 91.9 | 173.3 | -55.5 | 173.9 | 0 | 0 | 0 | 107.7 | E664 F668 | E664-I666 PolarHBondContact O-N 2.73Å; I666-F668 HydrophobicContact CG2-CD2 4.32Å; I666-F668 HydrophobicContact CG2-CE1 4.49Å; I666-F668 HydrophobicContact CG2-CE2 3.86Å; I666-F668 HydrophobicContact CG2-CZ 3.96Å; I666-F668 PolarHBondContact O-N 2.78Å | ||
| 667 | E | 48.5 | Very low | 53.3 | Low | 174 Ų | 174 | 147.3 Ų | 147.3 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | -74.9 | 113.8 | 168.5 | -66.2 | -172 | 163.1 | 0 | 0 | 109.4 | T665 | T665-E667 HydrophobicContact CG2-CG 4.19Å; T665-E667 PolarHBondContact O-N 3.46Å | ||
| 668 | F | 47.7 | Very low | 53.5 | Low | 172 Ų | 172 | 146.2 Ų | 146.2 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | -78.3 | 124.1 | 170.5 | -70.9 | -87.8 | 0 | 0 | 0 | 109.3 | I666 I670 | I666-F668 HydrophobicContact CG2-CD2 4.32Å; I666-F668 HydrophobicContact CG2-CE1 4.49Å; I666-F668 HydrophobicContact CG2-CE2 3.86Å; I666-F668 HydrophobicContact CG2-CZ 3.96Å; I666-F668 PolarHBondContact O-N 2.78Å; F668-I670 PolarHBondContact O-N 2.89Å; F668-I670 VanDerWaalsContact O-N 3.1Å | ||
| 669 | F | 46.6 | Very low | 53.5 | Low | 169 Ų | 169 | 149.2 Ų | 149.2 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -72.4 | 101.4 | 175.4 | -150.5 | -94.1 | 0 | 0 | 0 | 109.4 | E672 | F669-E672 HydrophobicContact CE1-CB 3.84Å; F669-E672 HydrophobicContact CE1-CG 4.29Å; F669-E672 HydrophobicContact CZ-CB 4.25Å; F669-E672 HydrophobicContact CZ-CG 4.19Å | ||
| 670 | I | 67.3 | Low | 53 | Low | 156 Ų | 156 | 153.2 Ų | 153.2 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -83.1 | -33.2 | -173.9 | -64.6 | 170 | 0 | 0 | 0 | 111.8 | F668 | F668-I670 PolarHBondContact O-N 2.89Å; F668-I670 VanDerWaalsContact O-N 3.1Å | ||
| 671 | N | 57.1 | Low | 53.1 | Low | 153 Ų | 153 | 154.5 Ų | 154.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -175 | 149.6 | 169.6 | -119.6 | -12.6 | 0 | 0 | 0 | 112.9 | ||||
| 672 | E | 62.1 | Low | 53.5 | Low | 138 Ų | 138 | 152.9 Ų | 152.9 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | trans | -102.2 | 128 | 167 | -149.1 | 174.9 | 173.5 | 0 | 0 | 109.8 | F669 I674 | F669-E672 HydrophobicContact CE1-CB 3.84Å; F669-E672 HydrophobicContact CE1-CG 4.29Å; F669-E672 HydrophobicContact CZ-CB 4.25Å; F669-E672 HydrophobicContact CZ-CG 4.19Å; E672-I674 HydrophobicContact CG-CG1 4.43Å | ||
| 673 | E | 50.8 | Low | 53.6 | Low | 174 Ų | 174 | 151.4 Ų | 151.4 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -113.3 | 102.7 | 171.4 | -135.1 | -179.8 | -167.6 | 0 | 0 | 109 | I675 | E673-I675 PolarHBondContact O-N 2.99Š| ||
| 674 | I | 66.1 | Low | 53.9 | Low | 137 Ų | 137 | 150.2 Ų | 150.2 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | trans | -84.2 | 107.5 | 176.6 | -57.5 | 172.3 | 0 | 0 | 0 | 108 | E672 P676 | E672-I674 HydrophobicContact CG-CG1 4.43Å; I674-P676 VanDerWaalsContact O-CD 3.29Å; I674-P676 WeakPolarHBondContact O-CD 3.12Å | ||
| 675 | I | 60.8 | Low | 54.5 | Low | 128 Ų | 128 | 149.4 Ų | 149.4 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | trans | -96.7 | 106.5 | 171.9 | -55 | 171.1 | 0 | 0 | 0 | 107.8 | E673 L677 | E673-I675 PolarHBondContact O-N 2.99Å; I675-L677 PolarHBondContact O-N 2.61Å; I675-L677 VanDerWaalsContact O-N 3.08Å | ||
| 676 | P | 61.6 | Low | 54.8 | Low | 115 Ų | 115 | 152.3 Ų | 152.3 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | trans | -70.2 | 106.8 | 171.4 | 26.4 | -30 | 0 | 0 | 0 | 109.2 | I674 G678 | I674-P676 VanDerWaalsContact O-CD 3.29Å; I674-P676 WeakPolarHBondContact O-CD 3.12Å; P676-G678 PolarHBondContact O-N 2.78Å | ||
| 677 | L | 56.2 | Low | 55.1 | Low | 167 Ų | 167 | 154.7 Ų | 154.7 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -72 | 109.4 | 162.8 | -81.3 | 158 | 0 | 0 | 0 | 107.3 | I675 | I675-L677 PolarHBondContact O-N 2.61Å; I675-L677 VanDerWaalsContact O-N 3.08Å | ||
| 678 | G | 55.4 | Low | 55.6 | Low | 68 Ų | 68 | 153.2 Ų | 153.2 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -59 | 147 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P676 L680 | P676-G678 PolarHBondContact O-N 2.78Å; G678-L680 PolarHBondContact O-N 3.02Å | ||
| 679 | D | 50.3 | Low | 56.3 | Low | 172 Ų | 172 | 151.7 Ų | 151.7 | 92% | 0.92 | 81% | 0.808 | S | S | * | * | trans | -51.1 | 126.9 | 175.6 | -72.6 | -42 | 0 | 0 | 0 | 111.3 | ||||
| 680 | L | 41.1 | Very low | 57.1 | Low | 243 Ų | 243 | 150.1 Ų | 150.1 | 100% | 1.272 | 81% | 0.814 | S | S | * | * | trans | -61.2 | 0 | 165.9 | -97.9 | 155.3 | 0 | 0 | 0 | 112 | G678 | G678-L680 PolarHBondContact O-N 3.02Š|
Retrieved 680 of 680 residues in 1130.3 ms
(Link to these results)