| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.3 | Very low | 29.3 | Very low | 236 Ų | 236 | 164.8 Ų | 164.8 | 100% | 1.163 | 83% | 0.829 | S | S | * | * | 0 | 107.2 | 0 | -77.8 | 177.1 | 173.3 | 0 | 0 | 107.8 | |||||
| 2 | N | 34.1 | Very low | 28.8 | Very low | 139 Ų | 139 | 165.3 Ų | 165.3 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | trans | 50.3 | 101.6 | 151.5 | -58.7 | 10.4 | 0 | 0 | 0 | 117.8 | ||||
| 3 | E | 32.2 | Very low | 28.8 | Very low | 165 Ų | 165 | 163.3 Ų | 163.3 | 77% | 0.771 | 83% | 0.828 | S | S | * | * | 77.3 | 108.7 | 84.5 | -79.3 | 179.6 | 176.6 | 0 | 0 | 112.1 | |||||
| 4 | N | 35.7 | Very low | 28.8 | Very low | 171 Ų | 171 | 157.7 Ų | 157.7 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | -178.2 | 95.1 | 131.1 | -89.4 | -38.5 | 0 | 0 | 0 | 109.5 | ||||
| 5 | V | 26.1 | Very low | 28.8 | Very low | 129 Ų | 129 | 162.3 Ų | 162.3 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -85.9 | 131.4 | 165.7 | 174.9 | 0 | 0 | 0 | 0 | 108 | V7 | V5-V7 HydrophobicContact CG1-CG2 3.88Š| ||
| 6 | K | 29 | Very low | 28.9 | Very low | 191 Ų | 191 | 159.7 Ų | 159.7 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -112.9 | 120.6 | 159.3 | -85.7 | -174.5 | 176.9 | 179.4 | 0 | 109.2 | ||||
| 7 | V | 27 | Very low | 28.8 | Very low | 116 Ų | 116 | 163.5 Ų | 163.5 | 70% | 0.703 | 81% | 0.811 | S | S | * | * | trans | -93.8 | 132.6 | 174.9 | 177 | 0 | 0 | 0 | 0 | 108.6 | V5 | V5-V7 HydrophobicContact CG1-CG2 3.88Š| ||
| 8 | F | 26.4 | Very low | 28.8 | Very low | 195 Ų | 195 | 164.8 Ų | 164.8 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -128.8 | 137.9 | 156.5 | -71.3 | -80.4 | 0 | 0 | 0 | 109.3 | ||||
| 9 | R | 22.2 | Very low | 28.7 | Very low | 219 Ų | 219 | 167.8 Ų | 167.8 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -108.6 | 125.9 | -170.5 | -167.9 | -171.9 | -154.9 | -174.9 | 6.1 | 108.1 | V11 | R9-V11 HydrophobicContact CG-CG2 4.29Š| ||
| 10 | V | 26.8 | Very low | 28.8 | Very low | 150 Ų | 150 | 165.6 Ų | 165.6 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -131.2 | 139.1 | 156.7 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 11 | V | 27.4 | Very low | 28.8 | Very low | 102 Ų | 102 | 162.3 Ų | 162.3 | 62% | 0.618 | 80% | 0.799 | S | S | * | * | trans | -105 | 127.6 | -156.6 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | R9 | R9-V11 HydrophobicContact CG-CG2 4.29Š| ||
| 12 | E | 23.2 | Very low | 28.5 | Very low | 170 Ų | 170 | 158 Ų | 158 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 51.1 | 120.3 | 146.2 | -160.5 | 171.8 | -153.5 | 0 | 0 | 121.1 | ||||
| 13 | V | 29.2 | Very low | 28.3 | Very low | 140 Ų | 140 | 160.2 Ų | 160.2 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | -156.2 | 103 | 120 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 14 | S | 28.5 | Very low | 28.2 | Very low | 85 Ų | 85 | 161.3 Ų | 161.3 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | trans | 49 | 122.6 | 134.4 | 145.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 15 | R | 29.1 | Very low | 28 | Very low | 227 Ų | 227 | 160.2 Ų | 160.2 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | 95.1 | 100.9 | 133 | -73.2 | 178.2 | -173.5 | -167.2 | 3.2 | 122.1 | ||||
| 16 | V | 30 | Very low | 28.3 | Very low | 120 Ų | 120 | 162.9 Ų | 162.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 55.1 | 109.3 | 134.6 | -148.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 17 | W | 27.7 | Very low | 28.4 | Very low | 224 Ų | 224 | 165.7 Ų | 165.7 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | -159.8 | 132.4 | 66.9 | -88.8 | 59 | 0 | 0 | 0 | 108.5 | |||||
| 18 | K | 29.3 | Very low | 28.9 | Very low | 187 Ų | 187 | 163.4 Ų | 163.4 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -117.2 | 110.8 | 167.8 | -92.3 | -177.2 | 177 | 177.1 | 0 | 109.9 | ||||
| 19 | R | 26.9 | Very low | 29.3 | Very low | 223 Ų | 223 | 161.2 Ų | 161.2 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | -103.1 | 112.8 | 157.4 | -103.3 | -177.7 | 175.2 | 171.6 | -1.9 | 107.5 | ||||
| 20 | T | 30.9 | Very low | 30.3 | Very low | 123 Ų | 123 | 154.4 Ų | 154.4 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -82.2 | 123.1 | 168.4 | -59.5 | 0 | 0 | 0 | 0 | 107.9 | L22 | T20-L22 HydrophobicContact CG2-CG 4.42Š| ||
| 21 | V | 28.2 | Very low | 31.1 | Very low | 97 Ų | 97 | 152.5 Ų | 152.5 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | trans | -106.2 | 109.1 | 172.7 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | F23 | V21-F23 HydrophobicContact CG1-CD2 3.29Å; V21-F23 HydrophobicContact CG1-CE2 3.1Å; V21-F23 HydrophobicContact CG1-CG 4.36Å; V21-F23 HydrophobicContact CG1-CZ 4.05Å | ||
| 22 | L | 29.1 | Very low | 31.9 | Very low | 145 Ų | 145 | 150.1 Ų | 150.1 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -93.5 | 121.4 | 168.8 | -80.8 | 160.7 | 0 | 0 | 0 | 107.2 | T20 | T20-L22 HydrophobicContact CG2-CG 4.42Š| ||
| 23 | F | 29.2 | Very low | 33 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | -116.1 | 124.8 | 168.8 | -84.6 | -69.4 | 0 | 0 | 0 | 110.3 | V21 | V21-F23 HydrophobicContact CG1-CD2 3.29Å; V21-F23 HydrophobicContact CG1-CE2 3.1Å; V21-F23 HydrophobicContact CG1-CG 4.36Å; V21-F23 HydrophobicContact CG1-CZ 4.05Å | ||
| 24 | E | 29.9 | Very low | 33.9 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | trans | -86 | 134.5 | 177.4 | -151 | 164.9 | -158.4 | 0 | 0 | 108.8 | E26 | E24-E26 PolarHBondContact O-N 3.11Å; E24-E26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | K | 32.8 | Very low | 35.1 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | trans | -73.8 | 100.2 | -174.2 | -175.5 | -172.9 | -172.5 | 173.6 | 0 | 110.5 | L59 | K25-L59 HydrophobicContact CB-CD2 4.35Å; K25-L59 HydrophobicContact CD-CD2 3.74Å; K25-L59 HydrophobicContact CG-CD2 4.16Å | ||
| 26 | E | 31.7 | Very low | 36.4 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | trans | -71.1 | 132.2 | 159.8 | -75.3 | -168.5 | 159.1 | 0 | 0 | 110.1 | E24 G28 | E24-E26 PolarHBondContact O-N 3.11Å; E24-E26 VanDerWaalsContact O-N 3.12Å; E26-G28 PolarHBondContact O-N 2.78Å | ||
| 27 | R | 32.1 | Very low | 37.7 | Very low | 250 Ų | 250 | 142.3 Ų | 142.3 | 94% | 0.943 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 116.2 | -176.7 | -66.8 | 175 | 179.4 | 173.7 | -0.2 | 109.2 | ||
| 28 | G | 36.3 | Very low | 39.4 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.3 | -31.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | E26 | E26-G28 PolarHBondContact O-N 2.78Š|
| 29 | N | 35.8 | Very low | 41 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | trans | -103 | 134.9 | -165.1 | -74.4 | -14.5 | 0 | 0 | 0 | 115.4 | ||||
| 30 | S | 42.4 | Very low | 42.5 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 53% | 0.531 | 64% | 0.635 | S | S | . | * | trans | -47.5 | 144.4 | 178.9 | 162.7 | 0 | 0 | 0 | 0 | 114 | A32 H33 | S30-A32 PolarHBondContact O-N 3.28Å; S30-A32 PolarHBondContact OG-N 3.42Å; S30-H33 PolarHBondContact O-N 3.12Å; S30-H33 VanDerWaalsContact O-N 3.12Å | ||
| 31 | T | 43.4 | Very low | 43.7 | Very low | 110 Ų | 110 | 122 Ų | 122 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | -26 | 174.3 | 44.8 | 0 | 0 | 0 | 0 | 113.6 | H33 I34 D35 | T31-H33 PolarHBondContact O-N 3.29Å; T31-I34 PolarHBondContact O-N 3.11Å; T31-I34 VanDerWaalsContact O-N 3.14Å; T31-D35 PolarHBondContact O-N 3.4Å |
| 32 | A | 43.4 | Very low | 45.4 | Very low | 52 Ų | 52 | 120.7 Ų | 120.7 | 43% | 0.43 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62 | -25.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S30 K36 | S30-A32 PolarHBondContact O-N 3.28Å; S30-A32 PolarHBondContact OG-N 3.42Å; A32-K36 PolarHBondContact O-N 3.4Å |
| 33 | H | 47.2 | Very low | 46.9 | Very low | 112 Ų | 112 | 118 Ų | 118 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73.1 | -34.1 | 177.6 | -127.7 | -104.6 | 0 | 0 | 0 | 111.6 | S30 T31 W37 | S30-H33 PolarHBondContact O-N 3.12Å; S30-H33 VanDerWaalsContact O-N 3.12Å; T31-H33 PolarHBondContact O-N 3.29Å; H33-W37 AromaticContact ND1-CD1 3.93Å; H33-W37 AromaticContact ND1-NE1 3.89Å; H33-W37 VanDerWaalsContact O-CD1 3.26Å; H33-W37 PolarHBondContact O-N 2.79Å |
| 34 | I | 49 | Very low | 48.1 | Very low | 58 Ų | 58 | 111.5 Ų | 111.5 | 30% | 0.297 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.7 | -42 | -179 | -64.9 | 163.9 | 0 | 0 | 0 | 110.3 | T31 K36 W37 I38 M57 L59 | T31-I34 PolarHBondContact O-N 3.11Å; T31-I34 VanDerWaalsContact O-N 3.14Å; I34-K36 PolarHBondContact O-N 3.49Å; I34-W37 PolarHBondContact O-N 2.91Å; I34-I38 HydrophobicContact CG2-CD1 3.84Å; I34-I38 HydrophobicContact CG2-CG1 4.36Å; I34-I38 WeakPolarHBondContact O-CG1 3.28Å; I34-I38 PolarHBondContact O-N 2.75Å; I34-M57 HydrophobicContact CG2-CE 4.14Å; I34-L59 HydrophobicContact CD1-CD1 3.7Å |
| 35 | D | 53.1 | Low | 49.4 | Very low | 104 Ų | 104 | 105.7 Ų | 105.7 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -40.4 | 179.9 | -65.9 | -27.6 | 0 | 0 | 0 | 112.2 | T31 W37 I38 A39 | T31-D35 PolarHBondContact O-N 3.4Å; D35-W37 VanDerWaalsContact C-N 3.35Å; D35-W37 PolarHBondContact O-N 2.9Å; D35-I38 PolarHBondContact O-N 3.02Å; D35-A39 WeakPolarHBondContact O-CB 3.26Å; D35-A39 PolarHBondContact O-N 3.25Å |
| 36 | K | 56.8 | Low | 50.6 | Low | 154 Ų | 154 | 106.2 Ų | 106.2 | 67% | 0.67 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.5 | -40.6 | 174.5 | -74.6 | -175.4 | 178.5 | -177.1 | 0 | 112.1 | A32 I34 A39 Y40 | A32-K36 PolarHBondContact O-N 3.4Å; I34-K36 PolarHBondContact O-N 3.49Å; K36-A39 PolarHBondContact O-N 3.2Å; K36-Y40 PolarHBondContact O-N 3.25Å |
| 37 | W | 57.4 | Low | 51.8 | Low | 151 Ų | 151 | 103.7 Ų | 103.7 | 57% | 0.572 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.1 | -36.9 | 179 | -89.2 | 97.7 | 0 | 0 | 0 | 113 | H33 I34 D35 Y40 L41 | H33-W37 AromaticContact ND1-CD1 3.93Å; H33-W37 AromaticContact ND1-NE1 3.89Å; H33-W37 VanDerWaalsContact O-CD1 3.26Å; H33-W37 PolarHBondContact O-N 2.79Å; I34-W37 PolarHBondContact O-N 2.91Å; D35-W37 VanDerWaalsContact C-N 3.35Å; D35-W37 PolarHBondContact O-N 2.9Å; W37-Y40 HydrophobicContact CE3-CD1 4.48Å; W37-Y40 HydrophobicContact CZ3-CD1 4.37Å; W37-Y40 PolarHBondContact O-N 3.26Å; W37-L41 PolarHBondContact O-N 2.78Å |
| 38 | I | 62.5 | Low | 52.7 | Low | 86 Ų | 86 | 100.7 Ų | 100.7 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 172.4 | -67.9 | 170.9 | 0 | 0 | 0 | 110 | I34 D35 Y40 L41 V42 | I34-I38 HydrophobicContact CG2-CD1 3.84Å; I34-I38 HydrophobicContact CG2-CG1 4.36Å; I34-I38 WeakPolarHBondContact O-CG1 3.28Å; I34-I38 PolarHBondContact O-N 2.75Å; D35-I38 PolarHBondContact O-N 3.02Å; I38-Y40 VanDerWaalsContact C-N 3.31Å; I38-Y40 PolarHBondContact O-N 2.84Å; I38-L41 PolarHBondContact O-N 3.36Å; I38-V42 HydrophobicContact CG2-CG2 4.35Å; I38-V42 VanDerWaalsContact O-CG2 3.31Å; I38-V42 WeakPolarHBondContact O-CG2 3.47Å; I38-V42 PolarHBondContact O-N 3.38Å |
| 39 | A | 62.2 | Low | 53.3 | Low | 49 Ų | 49 | 103 Ų | 103 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | D35 K36 V42 I43 | D35-A39 WeakPolarHBondContact O-CB 3.26Å; D35-A39 PolarHBondContact O-N 3.25Å; K36-A39 PolarHBondContact O-N 3.2Å; A39-V42 PolarHBondContact O-N 3.29Å; A39-I43 WeakPolarHBondContact O-CD1 3.45Å; A39-I43 WeakPolarHBondContact O-CG1 3.49Å; A39-I43 PolarHBondContact O-N 2.89Å |
| 40 | Y | 58.9 | Low | 53.7 | Low | 128 Ų | 128 | 98.3 Ų | 98.3 | 50% | 0.502 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 176 | -175 | -98.1 | 0 | 0 | 0 | 112.3 | K36 W37 I38 V42 I43 M44 | K36-Y40 PolarHBondContact O-N 3.25Å; W37-Y40 HydrophobicContact CE3-CD1 4.48Å; W37-Y40 HydrophobicContact CZ3-CD1 4.37Å; W37-Y40 PolarHBondContact O-N 3.26Å; I38-Y40 VanDerWaalsContact C-N 3.31Å; I38-Y40 PolarHBondContact O-N 2.84Å; Y40-V42 PolarHBondContact O-N 3.19Å; Y40-I43 PolarHBondContact O-N 3.31Å; Y40-M44 HydrophobicContact CD1-CG 4.01Å; Y40-M44 HydrophobicContact CE1-CE 4.5Å; Y40-M44 HydrophobicContact CE1-CG 3.68Å; Y40-M44 HydrophobicContact CE1-SD 4.29Å; Y40-M44 HydrophobicContact CE2-CG 4.47Å; Y40-M44 VanDerWaalsContact O-CG 3.26Å; Y40-M44 WeakPolarHBondContact O-CG 3.49Å; Y40-M44 PolarHBondContact O-N 3.49Å |
| 41 | L | 57.4 | Low | 53.7 | Low | 67 Ų | 67 | 103.4 Ų | 103.4 | 35% | 0.351 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 177.9 | -78.7 | 166.2 | 0 | 0 | 0 | 112.5 | W37 I38 I43 M44 A45 V55 | W37-L41 PolarHBondContact O-N 2.78Å; I38-L41 PolarHBondContact O-N 3.36Å; L41-I43 VanDerWaalsContact C-N 3.35Å; L41-M44 PolarHBondContact O-N 3.32Å; L41-A45 WeakPolarHBondContact O-CB 3.33Å; L41-A45 PolarHBondContact O-N 3.03Å; L41-V55 HydrophobicContact CD1-CG1 4.35Å; L41-V55 HydrophobicContact CD1-CG2 4.23Å; L41-V55 HydrophobicContact CD2-CG2 4.28Å |
| 42 | V | 62.3 | Low | 53.8 | Low | 69 Ų | 69 | 102.7 Ų | 102.7 | 42% | 0.418 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | I38 A39 Y40 K46 | I38-V42 HydrophobicContact CG2-CG2 4.35Å; I38-V42 VanDerWaalsContact O-CG2 3.31Å; I38-V42 WeakPolarHBondContact O-CG2 3.47Å; I38-V42 PolarHBondContact O-N 3.38Å; A39-V42 PolarHBondContact O-N 3.29Å; Y40-V42 PolarHBondContact O-N 3.19Å; V42-K46 HydrophobicContact CG1-CD 4.21Å; V42-K46 WeakPolarHBondContact O-CB 3.49Å; V42-K46 WeakPolarHBondContact O-CG 3.36Å; V42-K46 PolarHBondContact O-N 3.19Å |
| 43 | I | 61.3 | Low | 53.6 | Low | 88 Ų | 88 | 106.6 Ų | 106.6 | 45% | 0.451 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 175.2 | -69.3 | 163.4 | 0 | 0 | 0 | 110.6 | A39 Y40 L41 K46 K47 | A39-I43 WeakPolarHBondContact O-CD1 3.45Å; A39-I43 WeakPolarHBondContact O-CG1 3.49Å; A39-I43 PolarHBondContact O-N 2.89Å; Y40-I43 PolarHBondContact O-N 3.31Å; L41-I43 VanDerWaalsContact C-N 3.35Å; I43-K46 PolarHBondContact O-N 3.11Å; I43-K47 HydrophobicContact CG2-CD 4.42Å; I43-K47 WeakPolarHBondContact O-CG 3.4Å; I43-K47 PolarHBondContact O-N 3.37Å; I43-K47 VanDerWaalsContact O-N 3.09Å |
| 44 | M | 53.4 | Low | 53.2 | Low | 50 Ų | 50 | 105.7 Ų | 105.7 | 25% | 0.246 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 179.2 | -68.6 | -67.8 | -81.5 | 0 | 0 | 112 | Y40 L41 K47 V50 | Y40-M44 HydrophobicContact CD1-CG 4.01Å; Y40-M44 HydrophobicContact CE1-CE 4.5Å; Y40-M44 HydrophobicContact CE1-CG 3.68Å; Y40-M44 HydrophobicContact CE1-SD 4.29Å; Y40-M44 HydrophobicContact CE2-CG 4.47Å; Y40-M44 VanDerWaalsContact O-CG 3.26Å; Y40-M44 WeakPolarHBondContact O-CG 3.49Å; Y40-M44 PolarHBondContact O-N 3.49Å; L41-M44 PolarHBondContact O-N 3.32Å; M44-K47 PolarHBondContact O-N 3.46Å; M44-V50 HydrophobicContact CB-CG2 4.22Å; M44-V50 HydrophobicContact CE-CG2 4.35Å |
| 45 | A | 57.8 | Low | 52.7 | Low | 67 Ų | 67 | 105.4 Ų | 105.4 | 55% | 0.554 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.6 | -42.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L41 K47 K48 | L41-A45 WeakPolarHBondContact O-CB 3.33Å; L41-A45 PolarHBondContact O-N 3.03Å; A45-K47 VanDerWaalsContact C-N 3.29Å; A45-K47 PolarHBondContact O-N 3.12Å; A45-K48 PolarHBondContact O-N 3.22Å |
| 46 | K | 58.5 | Low | 51.9 | Low | 158 Ų | 158 | 103.2 Ų | 103.2 | 69% | 0.687 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.9 | -29.1 | 177.8 | -79.2 | -178 | 176.7 | -176.2 | 0 | 113.5 | V42 I43 K48 | V42-K46 HydrophobicContact CG1-CD 4.21Å; V42-K46 WeakPolarHBondContact O-CB 3.49Å; V42-K46 WeakPolarHBondContact O-CG 3.36Å; V42-K46 PolarHBondContact O-N 3.19Å; I43-K46 PolarHBondContact O-N 3.11Å; K46-K48 VanDerWaalsContact C-N 3.26Å; K46-K48 PolarHBondContact O-N 3.03Å |
| 47 | K | 57 | Low | 50.8 | Low | 131 Ų | 131 | 99.6 Ų | 99.6 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 4.5 | 179 | -74.2 | -172.3 | 174.4 | -170.1 | 0 | 114.5 | I43 M44 A45 L49 | I43-K47 HydrophobicContact CG2-CD 4.42Å; I43-K47 WeakPolarHBondContact O-CG 3.4Å; I43-K47 PolarHBondContact O-N 3.37Å; I43-K47 VanDerWaalsContact O-N 3.09Å; M44-K47 PolarHBondContact O-N 3.46Å; A45-K47 VanDerWaalsContact C-N 3.29Å; A45-K47 PolarHBondContact O-N 3.12Å; K47-L49 HydrophobicContact CB-CB 4.36Å; K47-L49 HydrophobicContact CB-CD1 3.67Å; K47-L49 HydrophobicContact CB-CG 3.93Å; K47-L49 HydrophobicContact CD-CD1 3.86Å; K47-L49 HydrophobicContact CG-CD1 4.42Å; K47-L49 PolarHBondContact O-N 3.34Å |
| 48 | K | 50.8 | Low | 49.7 | Very low | 187 Ų | 187 | 96.4 Ų | 96.4 | 81% | 0.813 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 18.7 | -170.8 | -70.6 | -172.2 | 174.8 | -174.2 | 0 | 113.8 | A45 K46 V50 | A45-K48 PolarHBondContact O-N 3.22Å; K46-K48 VanDerWaalsContact C-N 3.26Å; K46-K48 PolarHBondContact O-N 3.03Å; K48-V50 PolarHBondContact O-N 3.12Å |
| 49 | L | 48.5 | Very low | 48.4 | Very low | 118 Ų | 118 | 94.7 Ų | 94.7 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | trans | -80.5 | -6 | -179 | -77.1 | 166.9 | 0 | 0 | 0 | 112.3 | K47 | K47-L49 HydrophobicContact CB-CB 4.36Å; K47-L49 HydrophobicContact CB-CD1 3.67Å; K47-L49 HydrophobicContact CB-CG 3.93Å; K47-L49 HydrophobicContact CD-CD1 3.86Å; K47-L49 HydrophobicContact CG-CD1 4.42Å; K47-L49 PolarHBondContact O-N 3.34Å | ||
| 50 | V | 44.9 | Very low | 46.9 | Very low | 50 Ų | 50 | 96 Ų | 96 | 30% | 0.303 | 52% | 0.519 | S | S | . | . | trans | -136.7 | 103.9 | 177.9 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | M44 K48 Q53 | M44-V50 HydrophobicContact CB-CG2 4.22Å; M44-V50 HydrophobicContact CE-CG2 4.35Å; K48-V50 PolarHBondContact O-N 3.12Å; V50-Q53 HydrophobicContact CG1-CB 4.09Å; V50-Q53 HydrophobicContact CG1-CG 3.63Å | ||
| 51 | E | 42.3 | Very low | 45.8 | Very low | 183 Ų | 183 | 100.4 Ų | 100.4 | 86% | 0.855 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -82.3 | 111 | 166.2 | -77.7 | 178.4 | 163.3 | 0 | 0 | 108.8 | ||
| 52 | S | 44.2 | Very low | 44.5 | Very low | 94 Ų | 94 | 103.1 Ų | 103.1 | 66% | 0.657 | 56% | 0.555 | S | S | * | * | trans | 60 | 95.2 | 174.9 | 84.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 53 | Q | 39.5 | Very low | 43.1 | Very low | 135 Ų | 135 | 105.9 Ų | 105.9 | 63% | 0.631 | 56% | 0.564 | S | S | * | * | trans | -129.3 | 122.4 | 156.5 | -74.5 | -168.8 | 6.6 | 0 | 0 | 110.3 | V50 V55 | V50-Q53 HydrophobicContact CG1-CB 4.09Å; V50-Q53 HydrophobicContact CG1-CG 3.63Å; Q53-V55 PolarHBondContact O-N 3.35Å | ||
| 54 | T | 40.2 | Very low | 41.6 | Very low | 92 Ų | 92 | 105.3 Ų | 105.3 | 56% | 0.564 | 56% | 0.564 | S | S | * | * | trans | -81.3 | 101.4 | 167.4 | -43.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 55 | V | 37.6 | Very low | 40.5 | Very low | 52 Ų | 52 | 110.8 Ų | 110.8 | 32% | 0.315 | 58% | 0.582 | S | S | . | * | trans | -83.7 | 113.9 | 170.8 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | L41 Q53 | L41-V55 HydrophobicContact CD1-CG1 4.35Å; L41-V55 HydrophobicContact CD1-CG2 4.23Å; L41-V55 HydrophobicContact CD2-CG2 4.28Å; Q53-V55 PolarHBondContact O-N 3.35Å | ||
| 56 | T | 37.1 | Very low | 39.5 | Very low | 59 Ų | 59 | 110.8 Ų | 110.8 | 36% | 0.362 | 58% | 0.575 | S | S | . | * | trans | -107.6 | 104.7 | 170.4 | -52.6 | 0 | 0 | 0 | 0 | 107.9 | Q63 | T56-Q63 HydrophobicContact CG2-CG 4.49Š| ||
| 57 | M | 33.5 | Very low | 38.2 | Very low | 77 Ų | 77 | 109.4 Ų | 109.4 | 38% | 0.379 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.3 | 167.9 | -90.5 | 175.4 | 56.8 | 0 | 0 | 109.3 | I34 L59 | I34-M57 HydrophobicContact CG2-CE 4.14Å; M57-L59 HydrophobicContact CE-CD1 3.31Å; M57-L59 HydrophobicContact CE-CG 3.82Å; M57-L59 PolarHBondContact O-N 3.44Å |
| 58 | C | 33.3 | Very low | 37.1 | Very low | 85 Ų | 85 | 112.3 Ų | 112.3 | 57% | 0.574 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 86.3 | 166.8 | -71.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 59 | L | 35.1 | Very low | 36.3 | Very low | 49 Ų | 49 | 106.2 Ų | 106.2 | 26% | 0.257 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.9 | 161 | -69.5 | 173.3 | 0 | 0 | 0 | 106.4 | K25 I34 M57 K61 L62 | K25-L59 HydrophobicContact CB-CD2 4.35Å; K25-L59 HydrophobicContact CD-CD2 3.74Å; K25-L59 HydrophobicContact CG-CD2 4.16Å; I34-L59 HydrophobicContact CD1-CD1 3.7Å; M57-L59 HydrophobicContact CE-CD1 3.31Å; M57-L59 HydrophobicContact CE-CG 3.82Å; M57-L59 PolarHBondContact O-N 3.44Å; L59-K61 PolarHBondContact O-N 3.44Å; L59-L62 PolarHBondContact O-N 3.19Å; L59-L62 VanDerWaalsContact O-O 3.13Å |
| 60 | G | 31.3 | Very low | 35.4 | Very low | 77 Ų | 77 | 108.3 Ų | 108.3 | 79% | 0.794 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -29.2 | 121.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | L62 | G60-L62 VanDerWaalsContact C-N 3.3Å; G60-L62 PolarHBondContact O-N 2.93Å |
| 61 | K | 35.9 | Very low | 34.7 | Very low | 220 Ų | 220 | 111.3 Ų | 111.3 | 96% | 0.957 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.6 | -4.9 | -175.9 | -63.4 | -173.4 | 179.7 | 178.3 | 0 | 118.6 | L59 | L59-K61 PolarHBondContact O-N 3.44Š|
| 62 | L | 30.7 | Very low | 34.2 | Very low | 124 Ų | 124 | 107.3 Ų | 107.3 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.2 | 171.9 | -105.1 | 89.9 | 0 | 0 | 0 | 111.8 | L59 G60 | L59-L62 PolarHBondContact O-N 3.19Å; L59-L62 VanDerWaalsContact O-O 3.13Å; G60-L62 VanDerWaalsContact C-N 3.3Å; G60-L62 PolarHBondContact O-N 2.93Å |
| 63 | Q | 31.7 | Very low | 33.5 | Very low | 128 Ų | 128 | 107.8 Ų | 107.8 | 60% | 0.598 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.6 | 104.7 | 171.7 | -156.4 | 178 | 10.8 | 0 | 0 | 107.6 | T56 | T56-Q63 HydrophobicContact CG2-CG 4.49Å |
| 64 | V | 30.9 | Very low | 33.1 | Very low | 76 Ų | 76 | 105.5 Ų | 105.5 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.2 | 120.6 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | ||
| 65 | R | 30.7 | Very low | 32.6 | Very low | 165 Ų | 165 | 108.7 Ų | 108.7 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | trans | -110.6 | 118 | 168.2 | -74.4 | -171.7 | -169.9 | -170.8 | 3.8 | 108.4 | ||||
| 66 | V | 35 | Very low | 32.1 | Very low | 67 Ų | 67 | 115.8 Ų | 115.8 | 41% | 0.406 | 63% | 0.634 | S | S | . | * | trans | -83.9 | 109 | 165.9 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | L71 | V66-L71 HydrophobicContact CB-CD1 3.98Å; V66-L71 HydrophobicContact CG1-CD1 3.57Å; V66-L71 HydrophobicContact CG2-CD1 3.7Å | ||
| 67 | L | 32.8 | Very low | 31.8 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 67% | 0.67 | 65% | 0.65 | S | S | * | * | trans | -101.8 | 144.1 | 168.3 | -68.3 | 171.9 | 0 | 0 | 0 | 107.8 | G69 | L67-G69 PolarHBondContact O-N 3.48Š| ||
| 68 | E | 32.7 | Very low | 31.5 | Very low | 192 Ų | 192 | 123.2 Ų | 123.2 | 90% | 0.897 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -54.5 | 126 | 171.9 | -77.8 | 172.6 | 143.5 | 0 | 0 | 110.1 | ||
| 69 | G | 34.1 | Very low | 31.5 | Very low | 60 Ų | 60 | 123.9 Ų | 123.9 | 62% | 0.619 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 108.8 | 105 | -175 | 0 | 0 | 0 | 0 | 0 | 112.1 | L67 | L67-G69 PolarHBondContact O-N 3.48Š|
| 70 | D | 30.7 | Very low | 31.3 | Very low | 161 Ų | 161 | 126.5 Ų | 126.5 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | trans | 48.8 | 88.3 | 158.9 | -51.7 | -23.6 | 0 | 0 | 0 | 117.6 | C72 | D70-C72 PolarHBondContact O-N 3.24Å; D70-C72 VanDerWaalsContact O-N 3.15Å | ||
| 71 | L | 29.5 | Very low | 31.1 | Very low | 114 Ų | 114 | 131 Ų | 131 | 60% | 0.597 | 71% | 0.712 | S | S | * | * | trans | -83.7 | 89 | 164.3 | -99.1 | 155.8 | 0 | 0 | 0 | 111.2 | V66 | V66-L71 HydrophobicContact CB-CD1 3.98Å; V66-L71 HydrophobicContact CG1-CD1 3.57Å; V66-L71 HydrophobicContact CG2-CD1 3.7Å | ||
| 72 | C | 31.3 | Very low | 31.1 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 66% | 0.662 | 71% | 0.71 | S | S | * | * | trans | -73.1 | 107.8 | 151.7 | -171.6 | 0 | 0 | 0 | 0 | 108.3 | D70 S74 | D70-C72 PolarHBondContact O-N 3.24Å; D70-C72 VanDerWaalsContact O-N 3.15Å; C72-S74 PolarHBondContact O-N 3.44Å | ||
| 73 | S | 30.8 | Very low | 31.1 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | -86.8 | 96.8 | 172.2 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 74 | S | 30 | Very low | 31.2 | Very low | 87 Ų | 87 | 125.1 Ų | 125.1 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | trans | -90.4 | 111.9 | 156.4 | 66 | 0 | 0 | 0 | 0 | 108.8 | C72 | C72-S74 PolarHBondContact O-N 3.44Š| ||
| 75 | I | 29.2 | Very low | 31.4 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 82% | 0.821 | 75% | 0.745 | S | S | * | * | trans | -86 | 111 | 168.6 | -63.4 | 174.3 | 0 | 0 | 0 | 107 | ||||
| 76 | Y | 28.9 | Very low | 31.6 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | -94 | 113.9 | 163.8 | -86.6 | -85.8 | 0 | 0 | 0 | 108.3 | ||||
| 77 | D | 30 | Very low | 31.5 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -88.8 | 116.7 | 169.5 | -151.6 | -13.3 | 0 | 0 | 0 | 108.8 | S79 | D77-S79 PolarHBondContact OD1-OG 3.37Š| ||
| 78 | N | 28.1 | Very low | 31.7 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -120.8 | 89.9 | 173.5 | -98.1 | -36.3 | 0 | 0 | 0 | 107.5 | ||||
| 79 | S | 31.9 | Very low | 31.9 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -148.7 | 81.9 | 170.1 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | D77 | D77-S79 PolarHBondContact OD1-OG 3.37Š| ||
| 80 | A | 31.1 | Very low | 31.9 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -140.5 | 87.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 81 | L | 28 | Very low | 32.4 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -134.1 | 84.6 | 167.6 | -110.6 | 169.9 | 0 | 0 | 0 | 107.5 | ||||
| 82 | V | 34.6 | Very low | 32.9 | Very low | 149 Ų | 149 | 141 Ų | 141 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | trans | -143.9 | 115.2 | 153.8 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 83 | G | 30.6 | Very low | 33.3 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 3.8 | 132 | 166.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 84 | S | 34.2 | Very low | 33.7 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | -163.6 | 159.4 | 105.3 | -145.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 85 | K | 35.2 | Very low | 34.2 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -76.4 | 165.8 | -159.6 | -66.4 | 169.3 | 173.3 | 173.8 | 0 | 115.2 | ||||
| 86 | R | 34.8 | Very low | 34.7 | Very low | 251 Ų | 251 | 146.9 Ų | 146.9 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | trans | 90 | 118.6 | 164.3 | -52.4 | 177.6 | -175 | -165.2 | 1.6 | 112.7 | ||||
| 87 | G | 33.3 | Very low | 35.4 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | cis | 122.4 | 98.8 | 16.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 88 | R | 38.1 | Very low | 36 | Very low | 252 Ų | 252 | 142.1 Ų | 142.1 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | trans | 170.2 | 146.2 | 137.8 | -93.4 | 175 | -162.5 | -166.4 | 5.9 | 111.2 | ||||
| 89 | N | 36.3 | Very low | 36.7 | Very low | 161 Ų | 161 | 141 Ų | 141 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -74.9 | 165.1 | -157.9 | -75.7 | -27.4 | 0 | 0 | 0 | 116.9 | ||||
| 90 | P | 34 | Very low | 37 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | trans | -98.9 | 160 | 176.1 | 39.2 | -31.9 | 0 | 0 | 0 | 113.5 | ||||
| 91 | I | 40.3 | Very low | 37.4 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -151.5 | 141.3 | 169.3 | -64.9 | -179.3 | 0 | 0 | 0 | 105.1 | ||||
| 92 | S | 39.9 | Very low | 38 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 64% | 0.636 | 82% | 0.817 | S | S | * | * | cis | -177 | 137.7 | -19.4 | 61.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 93 | V | 40.7 | Very low | 38.3 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 56.1 | 133.3 | 149.2 | -112.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 94 | P | 38.2 | Very low | 38.8 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | -110.3 | 161.2 | 163.3 | 39.2 | -28.7 | 0 | 0 | 0 | 113.7 | ||||
| 95 | S | 41.4 | Very low | 38.8 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -164.4 | 114.6 | 162.1 | 56.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 96 | K | 40.2 | Very low | 39.2 | Very low | 207 Ų | 207 | 146 Ų | 146 | 90% | 0.9 | 82% | 0.815 | S | S | * | * | 78.7 | 123.3 | 91.2 | -77.2 | -174.6 | 178.1 | -180 | 0 | 115.5 | |||||
| 97 | S | 41.9 | Very low | 39.4 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 141.6 | 94.2 | 136.4 | 66.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 98 | S | 42.7 | Very low | 39.8 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | 78.7 | 140.1 | 85.3 | -73.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 99 | P | 43.2 | Very low | 39.9 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -116.1 | 167.5 | -161.1 | 39.3 | -23.9 | 0 | 0 | 0 | 114.9 | ||||
| 100 | G | 38.1 | Very low | 39.9 | Very low | 84 Ų | 84 | 134.5 Ų | 134.5 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 176.7 | 145.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 101 | G | 40 | Very low | 40.3 | Very low | 64 Ų | 64 | 136.9 Ų | 136.9 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 174.3 | 148.7 | -0.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 102 | T | 41.2 | Very low | 40.1 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | 74.9 | 116.2 | 150.5 | 58.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 103 | K | 39.6 | Very low | 40.1 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | 67.4 | 115.8 | 123.7 | -65.1 | 177.7 | 177.9 | 175.8 | 0 | 119.8 | |||||
| 104 | K | 42.5 | Very low | 40 | Very low | 211 Ų | 211 | 136.8 Ų | 136.8 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | 174.8 | 132.4 | 103.3 | -94.1 | 174.1 | -179.8 | 178.7 | 0 | 112 | |||||
| 105 | R | 34.4 | Very low | 40.1 | Very low | 237 Ų | 237 | 137.7 Ų | 137.7 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -89 | -179.5 | 163 | -105.6 | -173 | 165.9 | -162.6 | -2 | 108.5 | ||||
| 106 | P | 43.2 | Very low | 40 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | -134.7 | -166.3 | -53.2 | 37.8 | -18.4 | 0 | 0 | 0 | 111.3 | |||||
| 107 | S | 39.2 | Very low | 39.9 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 102.3 | 128.3 | 148 | 70.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 108 | S | 41.1 | Very low | 39.8 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | 102.5 | 136.4 | 140.9 | 77.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 109 | N | 39.4 | Very low | 39.9 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 82.5 | 105.9 | 155.2 | -55.9 | -18.6 | 0 | 0 | 0 | 117.6 | ||||
| 110 | L | 36.8 | Very low | 39.6 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | 65.9 | 104.1 | 74.3 | -162.8 | 80 | 0 | 0 | 0 | 111.6 | |||||
| 111 | N | 42 | Very low | 39.8 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -154.6 | 132.7 | 144.7 | -109.4 | -12.7 | 0 | 0 | 0 | 111.9 | ||||
| 112 | Q | 37.6 | Very low | 39.8 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 148.7 | 178.1 | -66.2 | 170.6 | -5.3 | 0 | 0 | 110.4 | ||||
| 113 | G | 38.9 | Very low | 39.8 | Very low | 77 Ų | 77 | 154 Ų | 154 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -151.6 | 103.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 114 | T | 38.2 | Very low | 39.8 | Very low | 130 Ų | 130 | 156.3 Ų | 156.3 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | -57.3 | 147.3 | 169.2 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 115 | E | 40.5 | Very low | 39.6 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 66% | 0.659 | 77% | 0.774 | S | S | * | * | 177.8 | 145 | 77.5 | -89.5 | -161.5 | 144.6 | 0 | 0 | 112.5 | |||||
| 116 | K | 39.3 | Very low | 39.5 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | trans | 79.5 | 106.1 | 133.7 | -71.7 | 172.6 | -172.6 | 152.8 | 0 | 124.1 | ||||
| 117 | T | 38.9 | Very low | 39.3 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | 69.2 | 115.3 | 122.1 | 57.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 118 | S | 40.2 | Very low | 39.2 | Very low | 94 Ų | 94 | 157.2 Ų | 157.2 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | 171.3 | 130.6 | 95.5 | -108.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 119 | K | 44 | Very low | 38.9 | Very low | 195 Ų | 195 | 158 Ų | 158 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 54.9 | 132.5 | 135.6 | -55.9 | 174.4 | -176.2 | 174.6 | 0 | 117.7 | ||||
| 120 | R | 36.6 | Very low | 38.7 | Very low | 222 Ų | 222 | 158.2 Ų | 158.2 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | cis | -179.2 | 135.9 | 42.8 | -170.1 | 165.5 | -179.9 | -177.4 | -0.3 | 109.9 | ||||
| 121 | L | 41.4 | Very low | 38.6 | Very low | 127 Ų | 127 | 159 Ų | 159 | 67% | 0.665 | 79% | 0.791 | S | S | * | * | trans | 27.7 | 144.7 | 143.9 | -79.5 | 58.5 | 0 | 0 | 0 | 120.1 | ||||
| 122 | K | 41.4 | Very low | 38.1 | Very low | 162 Ų | 162 | 159.1 Ų | 159.1 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | cis | -175.4 | 137.2 | 28.8 | -122.9 | 162.2 | -173.5 | 174.9 | 0 | 109.5 | ||||
| 123 | R | 40.1 | Very low | 38.1 | Very low | 227 Ų | 227 | 156.6 Ų | 156.6 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | 39.2 | 135.2 | 131.1 | -61.9 | -180 | 163.6 | 173.9 | -5.6 | 118.4 | ||||
| 124 | R | 40.9 | Very low | 37.9 | Very low | 238 Ų | 238 | 158.1 Ų | 158.1 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | -171.6 | 161.6 | 56.5 | -147.7 | 168.3 | 165.5 | 160.8 | -4.7 | 113 | |||||
| 125 | N | 36.7 | Very low | 37.9 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -72 | 159.9 | -159.3 | -72.7 | -29.6 | 0 | 0 | 0 | 119.9 | ||||
| 126 | A | 34.1 | Very low | 37.5 | Very low | 90 Ų | 90 | 153.9 Ų | 153.9 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -66.5 | 162.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 127 | R | 37.8 | Very low | 37.3 | Very low | 240 Ų | 240 | 157.4 Ų | 157.4 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | 173.2 | 118.2 | 132.8 | -92.4 | 167.2 | -174.2 | -161 | 1.6 | 107.4 | ||||
| 128 | K | 37.7 | Very low | 36.9 | Very low | 187 Ų | 187 | 159.3 Ų | 159.3 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | 93.6 | 140.5 | 59.4 | -155.3 | 177.6 | -167 | -175.7 | 0 | 112.4 | |||||
| 129 | C | 35.2 | Very low | 36.8 | Very low | 114 Ų | 114 | 159.1 Ų | 159.1 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 106.3 | 100 | 170.8 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 130 | L | 34.5 | Very low | 36.4 | Very low | 149 Ų | 149 | 158.6 Ų | 158.6 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | 55.4 | 109.1 | 69.8 | -78.1 | 163.5 | 0 | 0 | 0 | 114.5 | |||||
| 131 | N | 34.7 | Very low | 36.3 | Very low | 162 Ų | 162 | 159.2 Ų | 159.2 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | -171.6 | 138.3 | 110.8 | -103.4 | 3.7 | 0 | 0 | 0 | 112.9 | |||||
| 132 | E | 32.2 | Very low | 35.9 | Very low | 171 Ų | 171 | 158.3 Ų | 158.3 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -72 | 157 | 169.7 | -61.4 | 166.4 | 143.6 | 0 | 0 | 111.4 | ||||
| 133 | S | 37.7 | Very low | 35.8 | Very low | 128 Ų | 128 | 156.2 Ų | 156.2 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | 174.6 | 145.5 | 124.7 | -73.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 134 | S | 33.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -85.3 | -177.7 | -164.3 | 63 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 135 | S | 38.5 | Very low | 35.7 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | 97 | 134.1 | 164.1 | 77.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 136 | G | 32.1 | Very low | 35.8 | Very low | 58 Ų | 58 | 145.4 Ų | 145.4 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | cis | 148.9 | 139.2 | 6.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 137 | Y | 34.6 | Very low | 35.6 | Very low | 224 Ų | 224 | 147.6 Ų | 147.6 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | 61.4 | 148.8 | 162.5 | 103.4 | -89.8 | 0 | 0 | 0 | 118.2 | ||||
| 138 | E | 31.7 | Very low | 35.6 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | cis | -173.6 | 164.1 | -14.6 | -165.9 | 168.6 | 166.6 | 0 | 0 | 107.8 | ||||
| 139 | S | 36.7 | Very low | 35.3 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | 91.7 | 100.4 | 153.1 | -73 | 0 | 0 | 0 | 0 | 123 | ||||
| 140 | Q | 35.9 | Very low | 35.5 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | 58.3 | 120.4 | 119.1 | -65.7 | -167.8 | -24 | 0 | 0 | 123.2 | |||||
| 141 | R | 34.2 | Very low | 35.3 | Very low | 236 Ų | 236 | 141 Ų | 141 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | 170.7 | 108.1 | 122.7 | -96.2 | 177.3 | 179.5 | -151.9 | -0.1 | 109.3 | |||||
| 142 | S | 34 | Very low | 35.7 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 72.8 | 106.2 | 88.5 | 85.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 143 | S | 38.8 | Very low | 35.8 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | 174.7 | 109.5 | 127.4 | 54.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 144 | N | 33.3 | Very low | 35.5 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -83.7 | -171 | 153.1 | -64.1 | -28.6 | 0 | 0 | 0 | 108.6 | ||||
| 145 | P | 45.5 | Very low | 35.5 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | cis | -137.1 | -153.3 | -3 | 39.7 | -15.3 | 0 | 0 | 0 | 110.6 | ||||
| 146 | P | 38.8 | Very low | 35.1 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | cis | -137.6 | 173 | 4.4 | 39.6 | -17 | 0 | 0 | 0 | 119.3 | ||||
| 147 | T | 31.1 | Very low | 35.3 | Very low | 136 Ų | 136 | 147 Ų | 147 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -62.8 | 151.5 | -177.8 | 48.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 148 | S | 37.1 | Very low | 35.2 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -136.2 | 108.3 | 150.5 | 61 | 0 | 0 | 0 | 0 | 110 | ||||
| 149 | D | 31.6 | Very low | 35.1 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -59.3 | 135.6 | 165.5 | -96.5 | -40.4 | 0 | 0 | 0 | 110.5 | ||||
| 150 | H | 38.8 | Very low | 34.9 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | -154.4 | 102.1 | 146.1 | -80.5 | -52.8 | 0 | 0 | 0 | 110 | ||||
| 151 | S | 31.4 | Very low | 34.9 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -67.2 | 135.6 | 153.5 | 49.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 152 | V | 42.5 | Very low | 34.7 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -133.4 | 122.1 | 167.5 | -166.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 153 | D | 33.8 | Very low | 34.9 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -54.8 | 150.3 | 173.8 | -97 | -49.9 | 0 | 0 | 0 | 114 | S155 | D153-S155 PolarHBondContact O-N 2.98Š| ||
| 154 | D | 32.2 | Very low | 34.9 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -57.3 | 106.9 | 158.5 | -86.2 | -42.5 | 0 | 0 | 0 | 109.9 | ||
| 155 | S | 32.7 | Very low | 34.7 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | 171.4 | 107.5 | 144.8 | 43.2 | 0 | 0 | 0 | 0 | 110 | D153 | D153-S155 PolarHBondContact O-N 2.98Š| ||
| 156 | F | 31.4 | Very low | 34.2 | Very low | 209 Ų | 209 | 146.3 Ų | 146.3 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -145.4 | 125 | 152.7 | -164.4 | -110.4 | 0 | 0 | 0 | 111.9 | ||||
| 157 | V | 36.1 | Very low | 34.1 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 70% | 0.703 | 81% | 0.805 | S | S | * | * | trans | -79 | 150.9 | -171.5 | 166.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 158 | E | 31.2 | Very low | 34.1 | Very low | 175 Ų | 175 | 152.9 Ų | 152.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -48.6 | 133.7 | 172.2 | -62.2 | -178.7 | 142.5 | 0 | 0 | 113.8 | ||||
| 159 | N | 29.9 | Very low | 34.3 | Very low | 142 Ų | 142 | 153.1 Ų | 153.1 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -176.2 | 102.5 | 130.3 | -103.7 | -18.5 | 0 | 0 | 0 | 110.7 | ||||
| 160 | W | 31.8 | Very low | 34.3 | Very low | 250 Ų | 250 | 151.5 Ų | 151.5 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | trans | -115.4 | 96.8 | 153.5 | -88.6 | -27 | 0 | 0 | 0 | 109.7 | ||||
| 161 | S | 37.7 | Very low | 34.4 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -58.2 | 129.8 | 166.4 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 162 | T | 28.6 | Very low | 34.5 | Very low | 132 Ų | 132 | 157.3 Ų | 157.3 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -51.4 | 126.4 | 161.2 | 44.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 163 | D | 38.1 | Very low | 34.2 | Very low | 135 Ų | 135 | 154.2 Ų | 154.2 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -146.1 | 115.7 | 156.3 | -108.2 | -23.1 | 0 | 0 | 0 | 112.3 | ||||
| 164 | K | 38.6 | Very low | 34.2 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | trans | 81.1 | 79.9 | 142 | -58.8 | -177.8 | -173.5 | 178.3 | 0 | 119.4 | S166 | K164-S166 PolarHBondContact O-N 3.45Š| ||
| 165 | L | 30.4 | Very low | 34.1 | Very low | 182 Ų | 182 | 154.8 Ų | 154.8 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -59 | 111.6 | 134.3 | -82.8 | 149 | 0 | 0 | 0 | 110.6 | ||||
| 166 | S | 35 | Very low | 34.5 | Very low | 93 Ų | 93 | 159.4 Ų | 159.4 | 65% | 0.65 | 82% | 0.819 | S | S | * | * | trans | -178.4 | 105.2 | 140.5 | 60.6 | 0 | 0 | 0 | 0 | 110.7 | K164 | K164-S166 PolarHBondContact O-N 3.45Š| ||
| 167 | N | 36.2 | Very low | 35.2 | Very low | 165 Ų | 165 | 153.5 Ų | 153.5 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | -175.8 | 126 | 112.5 | -93 | -15.6 | 0 | 0 | 0 | 111.5 | |||||
| 168 | R | 31.2 | Very low | 35.8 | Very low | 227 Ų | 227 | 150.8 Ų | 150.8 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -97.6 | 121.4 | -179.8 | 178.7 | -175.7 | -169.1 | -147.3 | 4.3 | 107.2 | ||||
| 169 | S | 40.2 | Very low | 36.4 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -136.2 | 106.3 | 157 | -57.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 170 | T | 31.8 | Very low | 37.2 | Very low | 113 Ų | 113 | 151 Ų | 151 | 69% | 0.693 | 78% | 0.784 | S | S | * | * | trans | -42.8 | 134.1 | 167.6 | 26.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 171 | E | 41.2 | Very low | 37.7 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 94% | 0.944 | 77% | 0.768 | S | S | * | * | trans | -147.6 | 138.9 | 136.8 | -112.2 | 170.9 | -156.2 | 0 | 0 | 111 | ||||
| 172 | K | 33.8 | Very low | 38.1 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 92% | 0.922 | 76% | 0.762 | S | S | * | * | trans | -79.6 | 135 | -165.6 | -71.8 | 167.9 | 171.8 | 173.9 | 0 | 110.9 | ||||
| 173 | G | 35.5 | Very low | 38.9 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | -160.2 | 88.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 174 | E | 35 | Very low | 39.4 | Very low | 199 Ų | 199 | 139.1 Ų | 139.1 | 93% | 0.93 | 73% | 0.73 | S | S | * | * | trans | 41.2 | 103.7 | 150.2 | -59.9 | -176.3 | 153.1 | 0 | 0 | 120.3 | ||||
| 175 | T | 29.5 | Very low | 39.9 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -98.7 | 106.2 | 173.4 | -5.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 176 | K | 41.7 | Very low | 40.5 | Very low | 202 Ų | 202 | 129.5 Ų | 129.5 | 88% | 0.878 | 69% | 0.694 | S | S | * | * | trans | -138.6 | -8.1 | 161.4 | -93.6 | -175.2 | 180 | 176.3 | 0 | 115.3 | ||||
| 177 | S | 45.3 | Very low | 41 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -95.3 | -18.8 | -173.7 | -163.3 | 0 | 0 | 0 | 0 | 115.6 | K179 | S177-K179 PolarHBondContact O-N 2.91Š|
| 178 | S | 49.5 | Very low | 41.6 | Very low | 60 Ų | 60 | 129.9 Ų | 129.9 | 42% | 0.42 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -74.9 | -23.5 | -169.6 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | L182 | S178-L182 VanDerWaalsContact O-CB 3.29Å; S178-L182 WeakPolarHBondContact O-CB 3.21Å; S178-L182 WeakPolarHBondContact O-CD1 3.44Å; S178-L182 PolarHBondContact O-N 3.41Å |
| 179 | K | 44.3 | Very low | 42.4 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 73% | 0.73 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.9 | -32.9 | -174.3 | -148.5 | 175.8 | -175.7 | -179 | 0 | 112.6 | S177 V183 | S177-K179 PolarHBondContact O-N 2.91Å; K179-V183 WeakPolarHBondContact O-CB 3.37Å; K179-V183 WeakPolarHBondContact O-CG2 3.38Å; K179-V183 PolarHBondContact O-N 3.35Å |
| 180 | E | 45.7 | Very low | 42.8 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 72% | 0.72 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.8 | -34.8 | 174.8 | -73.9 | 174 | 165.4 | 0 | 0 | 111.5 | V183 A184 | E180-V183 PolarHBondContact O-N 3.47Å; E180-A184 WeakPolarHBondContact O-CB 3.39Å; E180-A184 PolarHBondContact O-N 3.48Å |
| 181 | E | 43.5 | Very low | 43.5 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 60% | 0.603 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.6 | -42.6 | 174.6 | -166.2 | 172.7 | -170.2 | 0 | 0 | 111.9 | V183 A184 V185 | E181-V183 PolarHBondContact O-N 2.96Å; E181-A184 PolarHBondContact O-N 3.14Å; E181-V185 WeakPolarHBondContact O-CB 3.29Å; E181-V185 WeakPolarHBondContact O-CG2 3.26Å; E181-V185 PolarHBondContact O-N 3.49Å |
| 182 | L | 45.7 | Very low | 44 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 60% | 0.602 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.3 | -36 | 173.6 | -92.7 | 149.3 | 0 | 0 | 0 | 112.9 | S178 T186 | S178-L182 VanDerWaalsContact O-CB 3.29Å; S178-L182 WeakPolarHBondContact O-CB 3.21Å; S178-L182 WeakPolarHBondContact O-CD1 3.44Å; S178-L182 PolarHBondContact O-N 3.41Å; L182-T186 WeakPolarHBondContact O-CB 3.43Å; L182-T186 PolarHBondContact O-N 2.89Å; L182-T186 PolarHBondContact O-OG1 2.87Å |
| 183 | V | 45.3 | Very low | 45.2 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 49% | 0.485 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.8 | -42.7 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | K179 E180 E181 V185 T186 E187 | K179-V183 WeakPolarHBondContact O-CB 3.37Å; K179-V183 WeakPolarHBondContact O-CG2 3.38Å; K179-V183 PolarHBondContact O-N 3.35Å; E180-V183 PolarHBondContact O-N 3.47Å; E181-V183 PolarHBondContact O-N 2.96Å; V183-V185 PolarHBondContact O-N 2.99Å; V183-T186 WeakPolarHBondContact CA-OG1 3.44Å; V183-T186 PolarHBondContact O-N 3.48Å; V183-T186 PolarHBondContact O-OG1 2.96Å; V183-T186 VanDerWaalsContact O-OG1 3.13Å; V183-E187 WeakPolarHBondContact O-CB 3.21Å; V183-E187 PolarHBondContact O-N 3.26Å |
| 184 | A | 47.8 | Very low | 46.9 | Very low | 45 Ų | 45 | 117 Ų | 117 | 37% | 0.372 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.1 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E180 E181 T186 E187 I188 | E180-A184 WeakPolarHBondContact O-CB 3.39Å; E180-A184 PolarHBondContact O-N 3.48Å; E181-A184 PolarHBondContact O-N 3.14Å; A184-T186 PolarHBondContact O-N 3.37Å; A184-E187 PolarHBondContact O-N 3.3Å; A184-I188 WeakPolarHBondContact O-CB 3.33Å; A184-I188 WeakPolarHBondContact O-CD1 3.5Å; A184-I188 WeakPolarHBondContact O-CG1 3.4Å; A184-I188 PolarHBondContact O-N 3.39Å |
| 185 | V | 48.5 | Very low | 49.2 | Very low | 70 Ų | 70 | 109.2 Ų | 109.2 | 42% | 0.424 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.9 | -37.8 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | E181 V183 V189 | E181-V185 WeakPolarHBondContact O-CB 3.29Å; E181-V185 WeakPolarHBondContact O-CG2 3.26Å; E181-V185 PolarHBondContact O-N 3.49Å; V183-V185 PolarHBondContact O-N 2.99Å; V185-V189 WeakPolarHBondContact O-CB 3.48Å; V185-V189 WeakPolarHBondContact O-CG2 3.31Å; V185-V189 PolarHBondContact O-N 2.9Å |
| 186 | T | 44.3 | Very low | 52.1 | Low | 85 Ų | 85 | 108.2 Ų | 108.2 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.6 | -33.7 | 176.7 | 37.9 | 0 | 0 | 0 | 0 | 113.1 | L182 V183 A184 V189 E190 | L182-T186 WeakPolarHBondContact O-CB 3.43Å; L182-T186 PolarHBondContact O-N 2.89Å; L182-T186 PolarHBondContact O-OG1 2.87Å; V183-T186 WeakPolarHBondContact CA-OG1 3.44Å; V183-T186 PolarHBondContact O-N 3.48Å; V183-T186 PolarHBondContact O-OG1 2.96Å; V183-T186 VanDerWaalsContact O-OG1 3.13Å; A184-T186 PolarHBondContact O-N 3.37Å; T186-V189 PolarHBondContact O-N 3.34Å; T186-E190 PolarHBondContact O-N 2.91Å |
| 187 | E | 46 | Very low | 54.6 | Low | 143 Ų | 143 | 99.5 Ų | 99.5 | 67% | 0.668 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -74.8 | -30.5 | 177.1 | -142.1 | 169.5 | -162 | 0 | 0 | 112.4 | V183 A184 V189 | V183-E187 WeakPolarHBondContact O-CB 3.21Å; V183-E187 PolarHBondContact O-N 3.26Å; A184-E187 PolarHBondContact O-N 3.3Å; E187-V189 VanDerWaalsContact C-N 3.33Å |
| 188 | I | 48.7 | Very low | 56.9 | Low | 122 Ų | 122 | 100 Ų | 100 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.9 | -30.6 | 172.4 | -66.3 | 161.2 | 0 | 0 | 0 | 111.5 | A184 | A184-I188 WeakPolarHBondContact O-CB 3.33Å; A184-I188 WeakPolarHBondContact O-CD1 3.5Å; A184-I188 WeakPolarHBondContact O-CG1 3.4Å; A184-I188 PolarHBondContact O-N 3.39Å |
| 189 | V | 47.9 | Very low | 58.9 | Low | 75 Ų | 75 | 104.3 Ų | 104.3 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -80 | -21.3 | -175.7 | 172.1 | 0 | 0 | 0 | 0 | 112.8 | V185 T186 E187 Q191 | V185-V189 WeakPolarHBondContact O-CB 3.48Å; V185-V189 WeakPolarHBondContact O-CG2 3.31Å; V185-V189 PolarHBondContact O-N 2.9Å; T186-V189 PolarHBondContact O-N 3.34Å; E187-V189 VanDerWaalsContact C-N 3.33Å; V189-Q191 PolarHBondContact O-N 3.45Å |
| 190 | E | 47.1 | Very low | 61.3 | Low | 171 Ų | 171 | 98 Ų | 98 | 80% | 0.799 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -9.5 | -177.4 | -103.5 | -178.5 | 169.4 | 0 | 0 | 115.3 | T186 | T186-E190 PolarHBondContact O-N 2.91Š|
| 191 | Q | 47.9 | Very low | 63.5 | Low | 170 Ų | 170 | 94 Ų | 94 | 79% | 0.794 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | -1.4 | -172.3 | -68.2 | -174.4 | 6.3 | 0 | 0 | 117 | V189 I193 | V189-Q191 PolarHBondContact O-N 3.45Å; Q191-I193 VanDerWaalsContact C-N 3.29Å; Q191-I193 PolarHBondContact O-N 2.93Å |
| 192 | A | 51.3 | Low | 65.9 | Low | 53 Ų | 53 | 90.4 Ų | 90.4 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | trans | -82.3 | 76 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I194 L265 | A192-I194 VanDerWaalsContact C-N 3.3Å; A192-I194 PolarHBondContact O-N 3.38Å; A192-L265 HydrophobicContact CB-CD2 4.48Å | ||
| 193 | I | 59.4 | Low | 68.3 | Low | 149 Ų | 149 | 85 Ų | 85 | 76% | 0.764 | 45% | 0.452 | S | S | * | . | trans | -63.1 | 99 | 164.5 | -57.9 | 174.7 | 0 | 0 | 0 | 106.5 | Q191 A195 | Q191-I193 VanDerWaalsContact C-N 3.29Å; Q191-I193 PolarHBondContact O-N 2.93Å; I193-A195 PolarHBondContact O-N 2.99Å | ||
| 194 | I | 71.5 | Confident | 70.7 | Confident | 56 Ų | 56 | 82.2 Ų | 82.2 | 29% | 0.287 | 43% | 0.433 | S | S | . | . | trans | -64.3 | 106.1 | 174.1 | -58.9 | 179.2 | 0 | 0 | 0 | 106.4 | A192 L265 T270 P271 | A192-I194 VanDerWaalsContact C-N 3.3Å; A192-I194 PolarHBondContact O-N 3.38Å; I194-L265 HydrophobicContact CD1-CB 4.25Å; I194-L265 WeakPolarHBondContact CD1-O 3.31Å; I194-T270 HydrophobicContact CD1-CG2 3.79Å; I194-T270 HydrophobicContact CG2-CG2 4.17Å; I194-P271 VanDerWaalsContact CG2-CD 3.47Å; I194-P271 HydrophobicContact CG2-CG 4.49Å | ||
| 195 | A | 82.7 | Confident | 72.8 | Confident | 35 Ų | 35 | 83.4 Ų | 83.4 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 136 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109 | I193 M319 | I193-A195 PolarHBondContact O-N 2.99Å; A195-M319 HydrophobicContact CB-CE 4.07Å |
| 196 | P | 89.7 | Confident | 74.9 | Confident | 106 Ų | 106 | 85.3 Ų | 85.3 | 69% | 0.688 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 163.3 | 171.9 | 31.7 | -35 | 0 | 0 | 0 | 110 | ||
| 197 | Y | 94.3 | Very high | 77.2 | Confident | 18 Ų | 18 | 82 Ų | 82 | 7% | 0.071 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 152.1 | 167.9 | -72.9 | -81.3 | 0 | 0 | 0 | 112 | P271 A284 M285 V298 L314 M319 P323 | Y197-P271 HydrophobicContact CD2-CB 4.06Å; Y197-P271 HydrophobicContact CD2-CG 3.82Å; Y197-P271 HydrophobicContact CE1-CB 4.46Å; Y197-P271 HydrophobicContact CE2-CB 3.49Å; Y197-P271 VanDerWaalsContact CE2-CB 3.49Å; Y197-P271 HydrophobicContact CE2-CG 3.74Å; Y197-A284 PolarHBondContact OH-N 3.26Å; Y197-A284 PolarHBondContact OH-O 3.32Å; Y197-M285 HydrophobicContact CD2-CE 3.38Å; Y197-M285 HydrophobicContact CE2-CB 4.4Å; Y197-M285 HydrophobicContact CE2-CE 3.67Å; Y197-V298 HydrophobicContact CE1-CG2 4.16Å; Y197-V298 HydrophobicContact CE2-CG1 3.99Å; Y197-V298 HydrophobicContact CE2-CG2 4.41Å; Y197-L314 HydrophobicContact CE1-CD2 3.53Å; Y197-L314 VanDerWaalsContact OH-CD2 3.23Å; Y197-L314 WeakPolarHBondContact OH-CD2 3.37Å; Y197-M319 HydrophobicContact CD1-CB 4.37Å; Y197-M319 HydrophobicContact CD1-CG 4.23Å; Y197-M319 HydrophobicContact CE1-CG 4.29Å; Y197-P323 HydrophobicContact CD1-CG 4.39Å; Y197-P323 HydrophobicContact CD2-CG 4.38Å; Y197-P323 HydrophobicContact CG-CG 4.05Å |
| 198 | R | 93.8 | Very high | 79.4 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 143.3 | 165.7 | -168.1 | 176.7 | -176.4 | 165 | 3.8 | 110.7 | E202 M319 E320 P322 | R198-E202 IonicContact CZ-OE1 2.85Å; R198-E202 IonicContact CZ-OE2 3.62Å; R198-E202 VanDerWaalsContact CZ-OE2 3.28Å; R198-E202 VanDerWaalsContact NE-CD 3.3Å; R198-E202 IonicContact NE-OE1 2.7Å; R198-E202 PolarHBondContact NE-OE1 3.49Å; R198-E202 IonicContact NE-OE2 2.7Å; R198-E202 PolarHBondContact NE-OE2 3.26Å; R198-E202 IonicContact NH2-OE1 3.73Å; R198-E202 PolarHBondContact NH2-OE1 3.45Å; R198-E202 IonicContact NH2-OE2 3.35Å; R198-E202 PolarHBondContact NH2-OE2 3.27Å; R198-M319 PolarHBondContact N-O 3.22Å; R198-E320 WeakPolarHBondContact CD-O 3.29Å; R198-E320 PolarHBondContact NH1-O 2.98Å; R198-P322 HydrophobicContact CB-CG 4.01Å; R198-P322 HydrophobicContact CG-CG 4.01Å; R198-P322 WeakPolarHBondContact O-CA 3.32Å; R198-P322 VanDerWaalsContact O-CB 3.32Å; R198-P322 WeakPolarHBondContact O-CB 3.39Å |
| 199 | K | 92.6 | Very high | 81.5 | Confident | 151 Ų | 151 | 73.6 Ų | 73.6 | 66% | 0.657 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 145.9 | -178.8 | -66.3 | -172.4 | 176 | -173 | 0 | 111.7 | D201 P322 | K199-D201 VanDerWaalsContact C-N 3.29Å; K199-D201 PolarHBondContact O-N 2.98Å; K199-P322 VanDerWaalsContact O-CG 3.3Å; K199-P322 WeakPolarHBondContact O-CG 3.47Å |
| 200 | Q | 94.8 | Very high | 83.6 | Confident | 36 Ų | 36 | 74.2 Ų | 74.2 | 17% | 0.168 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -75.9 | -15 | 179.1 | -66.4 | 173.3 | -53 | 0 | 0 | 113.4 | E202 F203 P322 P323 A325 I326 | Q200-E202 PolarHBondContact O-N 2.97Å; Q200-F203 HydrophobicContact CB-CD2 4.45Å; Q200-F203 WeakPolarHBondContact O-CB 3.38Å; Q200-F203 PolarHBondContact O-N 2.91Å; Q200-P322 HydrophobicContact CG-CB 3.85Å; Q200-P323 HydrophobicContact CG-CB 4.38Å; Q200-P323 WeakPolarHBondContact CG-O 3.29Å; Q200-P323 PolarHBondContact NE2-O 3.4Å; Q200-A325 PolarHBondContact NE2-O 2.68Å; Q200-I326 HydrophobicContact CB-CD1 4.04Å; Q200-I326 HydrophobicContact CG-CD1 4.13Å; Q200-I326 VanDerWaalsContact NE2-CD1 3.31Å |
| 201 | D | 91.9 | Very high | 85.9 | Confident | 68 Ų | 68 | 66.9 Ų | 66.9 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -54.6 | -29 | -176.6 | -58.4 | -20.3 | 0 | 0 | 0 | 113.3 | K199 F203 F204 T205 | K199-D201 VanDerWaalsContact C-N 3.29Å; K199-D201 PolarHBondContact O-N 2.98Å; D201-F203 VanDerWaalsContact C-N 3.27Å; D201-F203 PolarHBondContact O-N 3.42Å; D201-F204 PolarHBondContact O-N 2.8Å; D201-T205 PolarHBondContact O-N 2.93Å; D201-T205 VanDerWaalsContact O-N 3.15Å; D201-T205 PolarHBondContact O-OG1 3.37Å |
| 202 | E | 92.2 | Very high | 88.2 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -62.9 | -31.6 | 179 | -66.1 | -174.9 | -131.6 | 0 | 0 | 112.6 | R198 Q200 F204 T205 T206 G207 L208 | R198-E202 IonicContact CZ-OE1 2.85Å; R198-E202 IonicContact CZ-OE2 3.62Å; R198-E202 VanDerWaalsContact CZ-OE2 3.28Å; R198-E202 VanDerWaalsContact NE-CD 3.3Å; R198-E202 IonicContact NE-OE1 2.7Å; R198-E202 PolarHBondContact NE-OE1 3.49Å; R198-E202 IonicContact NE-OE2 2.7Å; R198-E202 PolarHBondContact NE-OE2 3.26Å; R198-E202 IonicContact NH2-OE1 3.73Å; R198-E202 PolarHBondContact NH2-OE1 3.45Å; R198-E202 IonicContact NH2-OE2 3.35Å; R198-E202 PolarHBondContact NH2-OE2 3.27Å; Q200-E202 PolarHBondContact O-N 2.97Å; E202-F204 PolarHBondContact O-N 3.34Å; E202-T205 WeakPolarHBondContact CA-OG1 3.43Å; E202-T205 PolarHBondContact O-N 3.2Å; E202-T206 PolarHBondContact O-N 3.15Å; E202-G207 CarbonylContact O-C 3.58Å; E202-G207 WeakPolarHBondContact O-CA 3.31Å; E202-G207 PolarHBondContact O-N 3.36Å; E202-L208 HydrophobicContact CB-CB 4.42Å |
| 203 | F | 96 | Very high | 90.4 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -62.7 | -25.8 | 174.1 | -71.8 | -64.3 | 0 | 0 | 0 | 112.9 | Q200 D201 L208 I211 Q212 F213 P322 L324 | Q200-F203 HydrophobicContact CB-CD2 4.45Å; Q200-F203 WeakPolarHBondContact O-CB 3.38Å; Q200-F203 PolarHBondContact O-N 2.91Å; D201-F203 VanDerWaalsContact C-N 3.27Å; D201-F203 PolarHBondContact O-N 3.42Å; F203-L208 HydrophobicContact CD1-CB 3.94Å; F203-L208 HydrophobicContact CE1-CB 3.93Å; F203-L208 HydrophobicContact CE1-CD2 4Å; F203-L208 HydrophobicContact CE1-CG 4.32Å; F203-L208 HydrophobicContact CE2-CD2 4.28Å; F203-L208 HydrophobicContact CZ-CD2 3.84Å; F203-I211 HydrophobicContact CD1-CB 4.42Å; F203-I211 HydrophobicContact CD1-CG2 4.37Å; F203-Q212 CarbonylContact O-C 3.55Å; F203-Q212 WeakPolarHBondContact O-CA 3.11Å; F203-F213 HydrophobicContact CB-CD2 3.68Å; F203-F213 HydrophobicContact CB-CE2 3.7Å; F203-F213 HydrophobicContact CD1-CE2 4.16Å; F203-F213 HydrophobicContact CG-CD2 4.44Å; F203-F213 AromaticContact CG-CE2 3.96Å; F203-F213 HydrophobicContact CG-CE2 3.96Å; F203-F213 PolarHBondContact O-N 3.32Å; F203-P322 HydrophobicContact CE2-CB 3.94Å; F203-P322 HydrophobicContact CE2-CG 3.94Å; F203-P322 HydrophobicContact CZ-CG 4.5Å; F203-L324 HydrophobicContact CE2-CD2 4.34Å; F203-L324 HydrophobicContact CZ-CD2 3.93Å |
| 204 | F | 95.8 | Very high | 92.2 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 9% | 0.088 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -102.7 | -7.8 | -177 | -57.6 | -88.9 | 0 | 0 | 0 | 113.1 | D201 E202 F213 I326 F360 R363 P364 L369 | D201-F204 PolarHBondContact O-N 2.8Å; E202-F204 PolarHBondContact O-N 3.34Å; F204-F213 HydrophobicContact CD1-CB 3.98Å; F204-F213 HydrophobicContact CD1-CD2 4.38Å; F204-F213 HydrophobicContact CE1-CB 4.02Å; F204-F213 AromaticContact CE1-CD2 3.95Å; F204-F213 HydrophobicContact CE1-CD2 3.95Å; F204-F213 HydrophobicContact CE1-CG 4.44Å; F204-F213 HydrophobicContact CE2-CD2 4.42Å; F204-F213 AromaticContact CZ-CD2 3.97Å; F204-F213 HydrophobicContact CZ-CD2 3.97Å; F204-I326 HydrophobicContact CE2-CD1 3.99Å; F204-I326 HydrophobicContact CZ-CD1 4.13Å; F204-I326 HydrophobicContact CZ-CG2 4.4Å; F204-F360 AromaticContact CD1-CE2 3.97Å; F204-F360 HydrophobicContact CD1-CE2 3.97Å; F204-F360 AromaticContact CD1-CZ 3.96Å; F204-F360 HydrophobicContact CD1-CZ 3.96Å; F204-F360 HydrophobicContact CE1-CE1 4.33Å; F204-F360 HydrophobicContact CE1-CE2 4.22Å; F204-F360 AromaticContact CE1-CZ 3.97Å; F204-F360 HydrophobicContact CE1-CZ 3.97Å; F204-R363 HydrophobicContact CB-CB 3.9Å; F204-R363 HydrophobicContact CG-CB 4.39Å; F204-P364 HydrophobicContact CD2-CG 3.87Å; F204-P364 HydrophobicContact CE1-CG 4.31Å; F204-P364 HydrophobicContact CE2-CG 3.51Å; F204-P364 HydrophobicContact CG-CG 4.41Å; F204-P364 HydrophobicContact CZ-CG 3.76Å; F204-L369 HydrophobicContact CE1-CD1 3.89Å; F204-L369 HydrophobicContact CE1-CD2 4.03Å; F204-L369 HydrophobicContact CZ-CD1 4.32Å; F204-L369 HydrophobicContact CZ-CD2 4.17Å |
| 205 | T | 92.3 | Very high | 93.3 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -80.7 | -173.3 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | D201 E202 Q212 | D201-T205 PolarHBondContact O-N 2.93Å; D201-T205 VanDerWaalsContact O-N 3.15Å; D201-T205 PolarHBondContact O-OG1 3.37Å; E202-T205 WeakPolarHBondContact CA-OG1 3.43Å; E202-T205 PolarHBondContact O-N 3.2Å; T205-Q212 PolarHBondContact O-NE2 2.96Å |
| 206 | T | 92.5 | Very high | 94 | Very high | 110 Ų | 110 | 62.2 Ų | 62.2 | 68% | 0.675 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -13.5 | -177.8 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | E202 | E202-T206 PolarHBondContact O-N 3.15Š|
| 207 | G | 92.7 | Very high | 94.3 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | trans | 77 | 155.7 | -163.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E202 I211 | E202-G207 CarbonylContact O-C 3.58Å; E202-G207 WeakPolarHBondContact O-CA 3.31Å; E202-G207 PolarHBondContact O-N 3.36Å; G207-I211 CarbonylContact C-O 3.06Å; G207-I211 WeakPolarHBondContact CA-O 3.34Å | ||
| 208 | L | 93 | Very high | 94.4 | Very high | 19 Ų | 19 | 62.7 Ų | 62.7 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -140.3 | 134 | 177.3 | -178.6 | 68.4 | 0 | 0 | 0 | 109.9 | E202 F203 G210 I211 L321 P322 | E202-L208 HydrophobicContact CB-CB 4.42Å; F203-L208 HydrophobicContact CD1-CB 3.94Å; F203-L208 HydrophobicContact CE1-CB 3.93Å; F203-L208 HydrophobicContact CE1-CD2 4Å; F203-L208 HydrophobicContact CE1-CG 4.32Å; F203-L208 HydrophobicContact CE2-CD2 4.28Å; F203-L208 HydrophobicContact CZ-CD2 3.84Å; L208-G210 PolarHBondContact O-N 3.29Å; L208-G210 VanDerWaalsContact O-N 3.17Å; L208-I211 PolarHBondContact N-O 3.44Å; L208-I211 WeakPolarHBondContact O-CB 3.3Å; L208-I211 PolarHBondContact O-N 2.98Å; L208-L321 HydrophobicContact CD2-CD1 4.28Å; L208-P322 HydrophobicContact CD2-CG 3.5Å; L208-P322 VanDerWaalsContact CD2-CG 3.5Å |
| 209 | A | 91.7 | Very high | 94.6 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 56% | 0.562 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 36.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | I211 L242 | A209-I211 VanDerWaalsContact C-N 3.26Å; A209-I211 PolarHBondContact O-N 3.36Å; A209-L242 HydrophobicContact CB-CD1 3.99Å; A209-L242 HydrophobicContact CB-CD2 3.98Å |
| 210 | G | 93 | Very high | 94.9 | Very high | 89 Ų | 89 | 56 Ų | 56 | 92% | 0.918 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 6.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L208 | L208-G210 PolarHBondContact O-N 3.29Å; L208-G210 VanDerWaalsContact O-N 3.17Å |
| 211 | I | 95.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.087 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -108.6 | 124.7 | 178.3 | -56 | 177.5 | 0 | 0 | 0 | 109.4 | F203 G207 L208 A209 F213 K238 L242 | F203-I211 HydrophobicContact CD1-CB 4.42Å; F203-I211 HydrophobicContact CD1-CG2 4.37Å; G207-I211 CarbonylContact C-O 3.06Å; G207-I211 WeakPolarHBondContact CA-O 3.34Å; L208-I211 PolarHBondContact N-O 3.44Å; L208-I211 WeakPolarHBondContact O-CB 3.3Å; L208-I211 PolarHBondContact O-N 2.98Å; A209-I211 VanDerWaalsContact C-N 3.26Å; A209-I211 PolarHBondContact O-N 3.36Å; I211-F213 HydrophobicContact CG2-CD1 4.13Å; I211-F213 HydrophobicContact CG2-CE1 3.46Å; I211-F213 VanDerWaalsContact CG2-CE1 3.46Å; I211-F213 HydrophobicContact CG2-CE2 4.44Å; I211-F213 HydrophobicContact CG2-CZ 3.64Å; I211-K238 HydrophobicContact CD1-CB 4.26Å; I211-K238 VanDerWaalsContact CD1-O 3.23Å; I211-K238 WeakPolarHBondContact CD1-O 3.39Å; I211-K238 HydrophobicContact CG2-CB 4.15Å; I211-K238 HydrophobicContact CG2-CD 4.36Å; I211-L242 HydrophobicContact CD1-CD1 3.48Å; I211-L242 VanDerWaalsContact CD1-CD1 3.48Å; I211-L242 HydrophobicContact CD1-CG 4.2Å |
| 212 | Q | 96.3 | Very high | 95.4 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 43% | 0.425 | 32% | 0.315 | S | S | . | . | trans | -130.1 | 132.2 | 168 | -169.2 | 178.6 | 4.7 | 0 | 0 | 108.8 | F203 T205 | F203-Q212 CarbonylContact O-C 3.55Å; F203-Q212 WeakPolarHBondContact O-CA 3.11Å; T205-Q212 PolarHBondContact O-NE2 2.96Å | ||
| 213 | F | 97.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | trans | -96 | 114.9 | 175.5 | -56.7 | -48.4 | 0 | 0 | 0 | 109.5 | F203 F204 I211 F236 K238 F360 | F203-F213 HydrophobicContact CB-CD2 3.68Å; F203-F213 HydrophobicContact CB-CE2 3.7Å; F203-F213 HydrophobicContact CD1-CE2 4.16Å; F203-F213 HydrophobicContact CG-CD2 4.44Å; F203-F213 AromaticContact CG-CE2 3.96Å; F203-F213 HydrophobicContact CG-CE2 3.96Å; F203-F213 PolarHBondContact O-N 3.32Å; F204-F213 HydrophobicContact CD1-CB 3.98Å; F204-F213 HydrophobicContact CD1-CD2 4.38Å; F204-F213 HydrophobicContact CE1-CB 4.02Å; F204-F213 AromaticContact CE1-CD2 3.95Å; F204-F213 HydrophobicContact CE1-CD2 3.95Å; F204-F213 HydrophobicContact CE1-CG 4.44Å; F204-F213 HydrophobicContact CE2-CD2 4.42Å; F204-F213 AromaticContact CZ-CD2 3.97Å; F204-F213 HydrophobicContact CZ-CD2 3.97Å; I211-F213 HydrophobicContact CG2-CD1 4.13Å; I211-F213 HydrophobicContact CG2-CE1 3.46Å; I211-F213 VanDerWaalsContact CG2-CE1 3.46Å; I211-F213 HydrophobicContact CG2-CE2 4.44Å; I211-F213 HydrophobicContact CG2-CZ 3.64Å; F213-F236 HydrophobicContact CB-CE1 4.43Å; F213-F236 AromaticContact CD1-CD1 3.48Å; F213-F236 HydrophobicContact CD1-CD1 3.48Å; F213-F236 VanDerWaalsContact CD1-CD1 3.48Å; F213-F236 AromaticContact CD1-CE1 3.77Å; F213-F236 HydrophobicContact CD1-CE1 3.77Å; F213-F236 HydrophobicContact CD1-CG 4.1Å; F213-F236 HydrophobicContact CD2-CD1 4.26Å; F213-F236 HydrophobicContact CD2-CD2 4.41Å; F213-F236 HydrophobicContact CD2-CE1 4.22Å; F213-F236 HydrophobicContact CD2-CE2 4.39Å; F213-F236 HydrophobicContact CD2-CG 4.35Å; F213-F236 HydrophobicContact CD2-CZ 4.29Å; F213-F236 HydrophobicContact CE1-CB 3.57Å; F213-F236 AromaticContact CE1-CD1 3.31Å; F213-F236 HydrophobicContact CE1-CD1 3.31Å; F213-F236 HydrophobicContact CE1-CD2 4.42Å; F213-F236 HydrophobicContact CE1-CE1 4.07Å; F213-F236 AromaticContact CE1-CG 3.52Å; F213-F236 HydrophobicContact CE1-CG 3.52Å; F213-F236 HydrophobicContact CE2-CB 4.18Å; F213-F236 HydrophobicContact CE2-CD1 4.11Å; F213-F236 AromaticContact CE2-CD2 3.9Å; F213-F236 HydrophobicContact CE2-CD2 3.9Å; F213-F236 HydrophobicContact CE2-CE1 4.47Å; F213-F236 HydrophobicContact CE2-CE2 4.3Å; F213-F236 AromaticContact CE2-CG 3.8Å; F213-F236 HydrophobicContact CE2-CG 3.8Å; F213-F236 AromaticContact CG-CD1 3.99Å; F213-F236 HydrophobicContact CG-CD1 3.99Å; F213-F236 AromaticContact CG-CE1 3.88Å; F213-F236 HydrophobicContact CG-CE1 3.88Å; F213-F236 HydrophobicContact CG-CZ 4.34Å; F213-F236 HydrophobicContact CZ-CB 3.34Å; F213-F236 AromaticContact CZ-CD1 3.66Å; F213-F236 HydrophobicContact CZ-CD1 3.66Å; F213-F236 AromaticContact CZ-CD2 3.92Å; F213-F236 HydrophobicContact CZ-CD2 3.92Å; F213-F236 HydrophobicContact CZ-CE1 4.42Å; F213-F236 AromaticContact CZ-CG 3.36Å; F213-F236 HydrophobicContact CZ-CG 3.36Å; F213-K238 HydrophobicContact CE1-CB 4.28Å; F213-K238 HydrophobicContact CE1-CD 4.29Å; F213-F360 HydrophobicContact CB-CE1 4.19Å; F213-F360 HydrophobicContact CB-CZ 3.75Å | ||
| 214 | E | 95.9 | Very high | 95.7 | Very high | 109 Ų | 109 | 52.3 Ų | 52.3 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | trans | -87.2 | 135.5 | 180 | -67 | 170.8 | -168.8 | 0 | 0 | 110.8 | V217 H219 F360 | E214-V217 HydrophobicContact CB-CB 4.35Å; E214-V217 HydrophobicContact CB-CG2 3.91Å; E214-H219 PolarHBondContact O-NE2 3.47Å; E214-F360 VanDerWaalsContact O-CZ 3.23Å; E214-F360 WeakPolarHBondContact O-CZ 3.48Å | ||
| 215 | P | 96.6 | Very high | 95.8 | Very high | 66 Ų | 66 | 52.5 Ų | 52.5 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 158 | 171.9 | 29.4 | -34.2 | 0 | 0 | 0 | 110.9 | V217 F360 C361 | P215-V217 PolarHBondContact O-N 2.96Å; P215-F360 VanDerWaalsContact CA-CE2 3.44Å; P215-F360 HydrophobicContact CB-CD2 4.18Å; P215-F360 HydrophobicContact CB-CE2 3.95Å; P215-C361 VanDerWaalsContact CB-O 3.27Å; P215-C361 WeakPolarHBondContact CB-O 3.22Å |
| 216 | E | 95.6 | Very high | 96 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 7 | 179.8 | -61.2 | -61.9 | 145.8 | 0 | 0 | 115.7 | K359 F360 C361 | E216-K359 VanDerWaalsContact C-CE 3.47Å; E216-K359 WeakPolarHBondContact O-CE 3.35Å; E216-K359 WeakPolarHBondContact OE2-CE 3.24Å; E216-K359 IonicContact OE2-NZ 3.52Å; E216-K359 PolarHBondContact OE2-NZ 3.09Å; E216-F360 PolarHBondContact N-O 3.47Å; E216-C361 VanDerWaalsContact OE1-CA 3.24Å; E216-C361 WeakPolarHBondContact OE1-CA 3.15Å; E216-C361 WeakPolarHBondContact OE1-CB 3.09Å; E216-C361 PolarHBondContact OE1-SG 3.22Å |
| 217 | V | 96.4 | Very high | 96 | Very high | 57 Ų | 57 | 53 Ų | 53 | 35% | 0.345 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -101.7 | 145.2 | 174.8 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | E214 P215 H219 | E214-V217 HydrophobicContact CB-CB 4.35Å; E214-V217 HydrophobicContact CB-CG2 3.91Å; P215-V217 PolarHBondContact O-N 2.96Å; V217-H219 PolarHBondContact O-CD2 2.92Å |
| 218 | M | 97.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 38% | 0.384 | 30% | 0.296 | S | S | . | . | trans | -77.7 | 119.1 | 173.5 | -69.4 | -65.1 | -76.9 | 0 | 0 | 110.4 | Q357 K359 Y374 | M218-Q357 HydrophobicContact CE-CB 3.56Å; M218-Q357 HydrophobicContact CE-CG 4.37Å; M218-Q357 VanDerWaalsContact CE-OE1 3.24Å; M218-K359 HydrophobicContact SD-CB 3.73Å; M218-K359 HydrophobicContact SD-CD 4.28Å; M218-K359 HydrophobicContact SD-CG 4.22Å; M218-Y374 HydrophobicContact CE-CD2 3.5Å; M218-Y374 VanDerWaalsContact CE-CD2 3.5Å; M218-Y374 HydrophobicContact CE-CE2 3.97Å; M218-Y374 HydrophobicContact CE-CG 3.83Å; M218-Y374 HydrophobicContact SD-CD2 4.05Å; M218-Y374 HydrophobicContact SD-CE2 3.92Å | ||
| 219 | H | 98.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.2 | 177 | -63.6 | -85.2 | 0 | 0 | 0 | 111 | E214 V217 F236 Q357 V358 F360 | E214-H219 PolarHBondContact O-NE2 3.47Å; V217-H219 PolarHBondContact O-CD2 2.92Å; H219-F236 HydrophobicContact CB-CD1 3.76Å; H219-F236 HydrophobicContact CB-CE1 3.56Å; H219-F236 AromaticContact CG-CE1 3.77Å; H219-Q357 CarbonylContact O-C 3.32Å; H219-Q357 VanDerWaalsContact O-CA 3.29Å; H219-Q357 WeakPolarHBondContact O-CA 3.2Å; H219-V358 HydrophobicContact CB-CG2 4.19Å; H219-V358 PolarHBondContact N-O 2.67Å; H219-V358 PolarHBondContact O-N 2.85Å; H219-F360 AromaticContact CD2-CE1 3.59Å; H219-F360 AromaticContact NE2-CE1 3.83Å |
| 220 | Q | 98.4 | Very high | 96.3 | Very high | 98 Ų | 98 | 50.9 Ų | 50.9 | 46% | 0.458 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.7 | 170 | -66.6 | -171.7 | 25.2 | 0 | 0 | 110.5 | A237 R356 Q357 | Q220-A237 HydrophobicContact CB-CB 3.92Å; Q220-A237 VanDerWaalsContact O-CB 3.29Å; Q220-A237 WeakPolarHBondContact O-CB 3.47Å; Q220-A237 PolarHBondContact O-N 3.35Å; Q220-R356 WeakPolarHBondContact CA-O 3.39Å; Q220-Q357 HydrophobicContact CG-CG 4.38Å |
| 221 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 160.9 | 179.4 | -56 | 0 | 0 | 0 | 0 | 111.1 | V234 V235 F236 R355 R356 V358 | V221-V234 HydrophobicContact CB-CB 4.04Å; V221-V234 HydrophobicContact CB-CG2 4.46Å; V221-V234 HydrophobicContact CG1-CB 4.38Å; V221-V234 HydrophobicContact CG1-CG2 4.26Å; V221-V234 HydrophobicContact CG2-CB 4.13Å; V221-V234 HydrophobicContact CG2-CG1 4.15Å; V221-V235 CarbonylContact C-O 3.43Å; V221-V235 WeakPolarHBondContact CA-O 3.39Å; V221-F236 HydrophobicContact CG1-CD1 4.07Å; V221-F236 HydrophobicContact CG1-CD2 4.32Å; V221-F236 HydrophobicContact CG1-CE1 4.29Å; V221-F236 HydrophobicContact CG1-CG 4.09Å; V221-F236 HydrophobicContact CG1-CZ 4.5Å; V221-R355 CarbonylContact O-C 3.17Å; V221-R355 WeakPolarHBondContact O-CA 3.42Å; V221-R356 HydrophobicContact CG2-CB 4.04Å; V221-R356 PolarHBondContact N-O 3.47Å; V221-R356 PolarHBondContact O-N 3.39Å; V221-V358 HydrophobicContact CG1-CB 4.42Å; V221-V358 HydrophobicContact CG1-CG1 4.15Å; V221-V358 HydrophobicContact CG1-CG2 3.49Å; V221-V358 VanDerWaalsContact CG1-CG2 3.49Å; V221-V358 HydrophobicContact CG2-CG1 3.67Å |
| 222 | Y | 98.2 | Very high | 96.5 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 135.5 | 163.3 | -64.8 | -87.3 | 0 | 0 | 0 | 108.8 | G224 V234 V235 A237 K240 K354 R355 | Y222-G224 PolarHBondContact O-N 2.91Å; Y222-V234 CarbonylContact O-C 3.52Å; Y222-V234 WeakPolarHBondContact O-CA 3.45Å; Y222-V235 PolarHBondContact N-O 3.38Å; Y222-V235 PolarHBondContact O-N 2.91Å; Y222-A237 HydrophobicContact CD2-CB 4.4Å; Y222-A237 HydrophobicContact CE2-CB 3.98Å; Y222-K240 HydrophobicContact CE2-CD 4.44Å; Y222-K354 WeakPolarHBondContact CA-O 2.97Å; Y222-R355 HydrophobicContact CD1-CB 4.17Å; Y222-R355 HydrophobicContact CD1-CG 4.37Å; Y222-R355 HydrophobicContact CE1-CB 4.03Å; Y222-R355 HydrophobicContact CE1-CG 4.06Å |
| 223 | I | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 120.5 | 169.2 | -55.6 | -57.6 | 0 | 0 | 0 | 107.8 | W226 F232 V234 C350 A352 G353 K354 R356 L373 | I223-W226 HydrophobicContact CG2-CB 4.27Å; I223-W226 HydrophobicContact CG2-CE3 4.44Å; I223-F232 HydrophobicContact CD1-CD2 4.47Å; I223-V234 HydrophobicContact CD1-CG1 4.05Å; I223-C350 WeakPolarHBondContact CG2-O 3.43Å; I223-A352 CarbonylContact O-C 3.55Å; I223-A352 WeakPolarHBondContact O-CA 3.27Å; I223-G353 PolarHBondContact O-N 3.38Å; I223-K354 HydrophobicContact CG1-CB 4.46Å; I223-K354 PolarHBondContact N-O 2.94Å; I223-R356 HydrophobicContact CD1-CB 4.39Å; I223-R356 HydrophobicContact CD1-CG 3.97Å; I223-R356 HydrophobicContact CG1-CG 3.9Å; I223-L373 HydrophobicContact CD1-CD1 4.32Å |
| 224 | G | 97.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -63.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y222 H233 S300 A352 | Y222-G224 PolarHBondContact O-N 2.91Å; G224-H233 PolarHBondContact N-O 3.28Å; G224-S300 CarbonylContact C-O 3.49Å; G224-S300 WeakPolarHBondContact CA-O 3.22Å; G224-A352 WeakPolarHBondContact O-CB 3.35Å |
| 225 | S | 97 | Very high | 96.8 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.5 | 171.8 | 70.5 | 0 | 0 | 0 | 0 | 110.4 | F232 H233 S300 G301 | S225-F232 CarbonylContact O-C 3.43Å; S225-F232 WeakPolarHBondContact O-CA 3.26Å; S225-F232 WeakPolarHBondContact O-CB 3.44Å; S225-H233 PolarHBondContact N-O 2.94Å; S225-H233 PolarHBondContact O-N 3.45Å; S225-H233 PolarHBondContact OG-ND1 2.84Å; S225-S300 PolarHBondContact N-O 3.25Å; S225-G301 VanDerWaalsContact CB-O 3.29Å; S225-G301 WeakPolarHBondContact CB-O 3.15Å; S225-G301 VanDerWaalsContact OG-C 3.25Å; S225-G301 PolarHBondContact OG-O 3.47Å |
| 226 | W | 96.3 | Very high | 96.8 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 11% | 0.106 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 115.3 | -178.7 | -177.9 | -85 | 0 | 0 | 0 | 110.1 | I223 P229 F232 I330 F346 C350 L373 | I223-W226 HydrophobicContact CG2-CB 4.27Å; I223-W226 HydrophobicContact CG2-CE3 4.44Å; W226-P229 HydrophobicContact CZ2-CG 4.33Å; W226-F232 HydrophobicContact CD2-CB 4.18Å; W226-F232 HydrophobicContact CE3-CB 3.53Å; W226-F232 HydrophobicContact CE3-CD1 4.39Å; W226-F232 AromaticContact CE3-CD2 3.95Å; W226-F232 HydrophobicContact CE3-CD2 3.95Å; W226-F232 AromaticContact CE3-CG 3.72Å; W226-F232 HydrophobicContact CE3-CG 3.72Å; W226-F232 HydrophobicContact CZ3-CB 4.06Å; W226-F232 HydrophobicContact CZ3-CD1 4.05Å; W226-F232 AromaticContact CZ3-CD2 3.87Å; W226-F232 HydrophobicContact CZ3-CD2 3.87Å; W226-F232 HydrophobicContact CZ3-CE1 4.46Å; W226-F232 HydrophobicContact CZ3-CE2 4.26Å; W226-F232 AromaticContact CZ3-CG 3.73Å; W226-F232 HydrophobicContact CZ3-CG 3.73Å; W226-I330 HydrophobicContact CH2-CD1 4.05Å; W226-F346 HydrophobicContact CH2-CD1 4.29Å; W226-F346 HydrophobicContact CH2-CD2 4.23Å; W226-F346 AromaticContact CH2-CE1 3.97Å; W226-F346 HydrophobicContact CH2-CE1 3.97Å; W226-F346 AromaticContact CH2-CE2 3.87Å; W226-F346 HydrophobicContact CH2-CE2 3.87Å; W226-F346 HydrophobicContact CH2-CG 4.45Å; W226-F346 AromaticContact CH2-CZ 3.77Å; W226-F346 HydrophobicContact CH2-CZ 3.77Å; W226-F346 AromaticContact CZ2-CD1 3.9Å; W226-F346 HydrophobicContact CZ2-CD1 3.9Å; W226-F346 HydrophobicContact CZ2-CD2 4.1Å; W226-F346 HydrophobicContact CZ2-CE1 4.04Å; W226-F346 HydrophobicContact CZ2-CE2 4.2Å; W226-F346 AromaticContact CZ2-CG 3.96Å; W226-F346 HydrophobicContact CZ2-CG 3.96Å; W226-F346 HydrophobicContact CZ2-CZ 4.2Å; W226-C350 WeakPolarHBondContact CB-O 3.29Å; W226-C350 HydrophobicContact CD2-CB 3.41Å; W226-C350 VanDerWaalsContact CD2-CB 3.41Å; W226-C350 HydrophobicContact CE3-CB 3.27Å; W226-C350 HydrophobicContact CG-CB 4.1Å; W226-C350 HydrophobicContact CH2-CB 3.74Å; W226-C350 HydrophobicContact CZ2-CB 3.88Å; W226-C350 HydrophobicContact CZ3-CB 3.45Å; W226-C350 VanDerWaalsContact CZ3-CB 3.45Å; W226-L373 HydrophobicContact CH2-CD2 4.14Å; W226-L373 HydrophobicContact CZ3-CD2 3.85Å |
| 227 | F | 93 | Very high | 96.9 | Very high | 163 Ų | 163 | 34.5 Ų | 34.5 | 72% | 0.715 | 17% | 0.174 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -53.4 | 172.2 | -178.1 | -103.4 | 0 | 0 | 0 | 110.2 | E231 | F227-E231 WeakPolarHBondContact CB-O 3.41Å; F227-E231 HydrophobicContact CD1-CB 4.36Å; F227-E231 PolarHBondContact N-O 3.48Å; F227-E231 VanDerWaalsContact N-O 3.16Å |
| 228 | S | 93.9 | Very high | 97 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 172.4 | 177 | 75.8 | 0 | 0 | 0 | 0 | 111.4 | L230 E231 | S228-L230 PolarHBondContact O-N 2.91Å; S228-L230 VanDerWaalsContact O-N 3.11Å; S228-L230 PolarHBondContact OG-N 3.06Å; S228-L230 VanDerWaalsContact OG-N 3.15Å; S228-E231 PolarHBondContact N-O 3.01Å; S228-E231 CarbonylContact O-C 3.58Å; S228-E231 PolarHBondContact O-N 2.95Å; S228-E231 PolarHBondContact OG-N 3.37Å |
| 229 | P | 94.8 | Very high | 97 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25 | 169.1 | -28.7 | 37.7 | 0 | 0 | 0 | 114.5 | W226 I330 F338 L343 F346 F386 | W226-P229 HydrophobicContact CZ2-CG 4.33Å; P229-I330 HydrophobicContact CB-CB 4.35Å; P229-I330 HydrophobicContact CB-CD1 4.09Å; P229-I330 HydrophobicContact CB-CG1 4.36Å; P229-I330 PolarHBondContact O-N 2.88Å; P229-F338 HydrophobicContact CB-CE1 3.98Å; P229-F338 HydrophobicContact CB-CZ 4.05Å; P229-F338 HydrophobicContact CG-CE1 3.86Å; P229-F338 HydrophobicContact CG-CZ 4.14Å; P229-L343 HydrophobicContact CG-CD2 3.91Å; P229-F346 HydrophobicContact CB-CE1 4.32Å; P229-F346 HydrophobicContact CG-CD1 3.76Å; P229-F346 HydrophobicContact CG-CE1 3.76Å; P229-F386 HydrophobicContact CG-CE2 4.13Å; P229-F386 HydrophobicContact CG-CZ 4.13Å |
| 230 | L | 94.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -15.2 | 177.1 | -75.4 | 169.3 | 0 | 0 | 0 | 113.3 | S228 Q329 S333 R335 F338 | S228-L230 PolarHBondContact O-N 2.91Å; S228-L230 VanDerWaalsContact O-N 3.11Å; S228-L230 PolarHBondContact OG-N 3.06Å; S228-L230 VanDerWaalsContact OG-N 3.15Å; L230-Q329 WeakPolarHBondContact O-CB 3.44Å; L230-S333 VanDerWaalsContact CD2-OG 3.3Å; L230-S333 WeakPolarHBondContact CD2-OG 3.24Å; L230-R335 HydrophobicContact CD1-CB 4.43Å; L230-R335 HydrophobicContact CD1-CG 3.37Å; L230-F338 HydrophobicContact CB-CE2 4.45Å; L230-F338 HydrophobicContact CB-CZ 4.17Å; L230-F338 HydrophobicContact CD1-CE2 3.62Å; L230-F338 HydrophobicContact CD1-CZ 3.59Å; L230-F338 HydrophobicContact CG-CE2 4.1Å; L230-F338 HydrophobicContact CG-CZ 3.62Å |
| 231 | E | 95 | Very high | 96.8 | Very high | 72 Ų | 72 | 37 Ų | 37 | 34% | 0.336 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 109.5 | -179.1 | -175.5 | 170.7 | -171.9 | 0 | 0 | 110.9 | F227 S228 | F227-E231 WeakPolarHBondContact CB-O 3.41Å; F227-E231 HydrophobicContact CD1-CB 4.36Å; F227-E231 PolarHBondContact N-O 3.48Å; F227-E231 VanDerWaalsContact N-O 3.16Å; S228-E231 PolarHBondContact N-O 3.01Å; S228-E231 CarbonylContact O-C 3.58Å; S228-E231 PolarHBondContact O-N 2.95Å; S228-E231 PolarHBondContact OG-N 3.37Å |
| 232 | F | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 168.4 | 171.5 | 64.4 | -76 | 0 | 0 | 0 | 108.9 | I223 S225 W226 V234 R327 C328 I330 V371 | I223-F232 HydrophobicContact CD1-CD2 4.47Å; S225-F232 CarbonylContact O-C 3.43Å; S225-F232 WeakPolarHBondContact O-CA 3.26Å; S225-F232 WeakPolarHBondContact O-CB 3.44Å; W226-F232 HydrophobicContact CD2-CB 4.18Å; W226-F232 HydrophobicContact CE3-CB 3.53Å; W226-F232 HydrophobicContact CE3-CD1 4.39Å; W226-F232 AromaticContact CE3-CD2 3.95Å; W226-F232 HydrophobicContact CE3-CD2 3.95Å; W226-F232 AromaticContact CE3-CG 3.72Å; W226-F232 HydrophobicContact CE3-CG 3.72Å; W226-F232 HydrophobicContact CZ3-CB 4.06Å; W226-F232 HydrophobicContact CZ3-CD1 4.05Å; W226-F232 AromaticContact CZ3-CD2 3.87Å; W226-F232 HydrophobicContact CZ3-CD2 3.87Å; W226-F232 HydrophobicContact CZ3-CE1 4.46Å; W226-F232 HydrophobicContact CZ3-CE2 4.26Å; W226-F232 AromaticContact CZ3-CG 3.73Å; W226-F232 HydrophobicContact CZ3-CG 3.73Å; F232-V234 HydrophobicContact CD2-CG1 3.71Å; F232-V234 HydrophobicContact CE2-CG1 3.5Å; F232-V234 VanDerWaalsContact CE2-CG1 3.5Å; F232-R327 CarbonylContact O-C 3.56Å; F232-R327 WeakPolarHBondContact O-CA 3.33Å; F232-C328 HydrophobicContact CD1-CB 4.05Å; F232-C328 WeakPolarHBondContact CD1-O 3.47Å; F232-C328 HydrophobicContact CD2-CB 4.02Å; F232-C328 HydrophobicContact CE1-CB 3.58Å; F232-C328 HydrophobicContact CE2-CB 3.59Å; F232-C328 HydrophobicContact CG-CB 4.25Å; F232-C328 HydrophobicContact CZ-CB 3.35Å; F232-C328 PolarHBondContact N-O 2.78Å; F232-C328 PolarHBondContact O-N 2.8Å; F232-I330 HydrophobicContact CE1-CD1 4.43Å; F232-I330 HydrophobicContact CE1-CG1 3.63Å; F232-I330 HydrophobicContact CZ-CG1 3.98Å; F232-V371 HydrophobicContact CE1-CG2 4.42Å; F232-V371 HydrophobicContact CE2-CG2 4.46Å; F232-V371 HydrophobicContact CZ-CG2 3.6Å |
| 233 | H | 98.4 | Very high | 96.6 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 6% | 0.06 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.6 | 177.6 | -63.4 | 77.9 | 0 | 0 | 0 | 110.5 | G224 S225 A325 I326 | G224-H233 PolarHBondContact N-O 3.28Å; S225-H233 PolarHBondContact N-O 2.94Å; S225-H233 PolarHBondContact O-N 3.45Å; S225-H233 PolarHBondContact OG-ND1 2.84Å; H233-A325 HydrophobicContact CB-CB 4.26Å; H233-I326 CarbonylContact C-O 3.51Å; H233-I326 VanDerWaalsContact CA-O 3.27Å; H233-I326 WeakPolarHBondContact CA-O 3.49Å |
| 234 | V | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 148.1 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | V221 Y222 I223 F232 F236 A325 I326 C328 | V221-V234 HydrophobicContact CB-CB 4.04Å; V221-V234 HydrophobicContact CB-CG2 4.46Å; V221-V234 HydrophobicContact CG1-CB 4.38Å; V221-V234 HydrophobicContact CG1-CG2 4.26Å; V221-V234 HydrophobicContact CG2-CB 4.13Å; V221-V234 HydrophobicContact CG2-CG1 4.15Å; Y222-V234 CarbonylContact O-C 3.52Å; Y222-V234 WeakPolarHBondContact O-CA 3.45Å; I223-V234 HydrophobicContact CD1-CG1 4.05Å; F232-V234 HydrophobicContact CD2-CG1 3.71Å; F232-V234 HydrophobicContact CE2-CG1 3.5Å; F232-V234 VanDerWaalsContact CE2-CG1 3.5Å; V234-F236 HydrophobicContact CG2-CD2 4.4Å; V234-F236 HydrophobicContact CG2-CE2 4.11Å; V234-A325 WeakPolarHBondContact O-CA 3.13Å; V234-I326 HydrophobicContact CG2-CB 4.25Å; V234-I326 PolarHBondContact N-O 3.44Å; V234-I326 PolarHBondContact O-N 3.26Å; V234-C328 VanDerWaalsContact CG2-SG 3.56Å |
| 235 | V | 98.2 | Very high | 96.5 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.5 | 169.5 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | V221 Y222 A237 D299 A325 | V221-V235 CarbonylContact C-O 3.43Å; V221-V235 WeakPolarHBondContact CA-O 3.39Å; Y222-V235 PolarHBondContact N-O 3.38Å; Y222-V235 PolarHBondContact O-N 2.91Å; V235-A237 PolarHBondContact O-N 3.11Å; V235-D299 WeakPolarHBondContact CG2-O 3.13Å; V235-A325 HydrophobicContact CG2-CB 4.42Å |
| 236 | F | 98.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 133.1 | 177.9 | -79.2 | -106.8 | 0 | 0 | 0 | 110.1 | F213 H219 V221 V234 K238 C239 I326 V358 F360 L369 | F213-F236 HydrophobicContact CB-CE1 4.43Å; F213-F236 AromaticContact CD1-CD1 3.48Å; F213-F236 HydrophobicContact CD1-CD1 3.48Å; F213-F236 VanDerWaalsContact CD1-CD1 3.48Å; F213-F236 AromaticContact CD1-CE1 3.77Å; F213-F236 HydrophobicContact CD1-CE1 3.77Å; F213-F236 HydrophobicContact CD1-CG 4.1Å; F213-F236 HydrophobicContact CD2-CD1 4.26Å; F213-F236 HydrophobicContact CD2-CD2 4.41Å; F213-F236 HydrophobicContact CD2-CE1 4.22Å; F213-F236 HydrophobicContact CD2-CE2 4.39Å; F213-F236 HydrophobicContact CD2-CG 4.35Å; F213-F236 HydrophobicContact CD2-CZ 4.29Å; F213-F236 HydrophobicContact CE1-CB 3.57Å; F213-F236 AromaticContact CE1-CD1 3.31Å; F213-F236 HydrophobicContact CE1-CD1 3.31Å; F213-F236 HydrophobicContact CE1-CD2 4.42Å; F213-F236 HydrophobicContact CE1-CE1 4.07Å; F213-F236 AromaticContact CE1-CG 3.52Å; F213-F236 HydrophobicContact CE1-CG 3.52Å; F213-F236 HydrophobicContact CE2-CB 4.18Å; F213-F236 HydrophobicContact CE2-CD1 4.11Å; F213-F236 AromaticContact CE2-CD2 3.9Å; F213-F236 HydrophobicContact CE2-CD2 3.9Å; F213-F236 HydrophobicContact CE2-CE1 4.47Å; F213-F236 HydrophobicContact CE2-CE2 4.3Å; F213-F236 AromaticContact CE2-CG 3.8Å; F213-F236 HydrophobicContact CE2-CG 3.8Å; F213-F236 AromaticContact CG-CD1 3.99Å; F213-F236 HydrophobicContact CG-CD1 3.99Å; F213-F236 AromaticContact CG-CE1 3.88Å; F213-F236 HydrophobicContact CG-CE1 3.88Å; F213-F236 HydrophobicContact CG-CZ 4.34Å; F213-F236 HydrophobicContact CZ-CB 3.34Å; F213-F236 AromaticContact CZ-CD1 3.66Å; F213-F236 HydrophobicContact CZ-CD1 3.66Å; F213-F236 AromaticContact CZ-CD2 3.92Å; F213-F236 HydrophobicContact CZ-CD2 3.92Å; F213-F236 HydrophobicContact CZ-CE1 4.42Å; F213-F236 AromaticContact CZ-CG 3.36Å; F213-F236 HydrophobicContact CZ-CG 3.36Å; H219-F236 HydrophobicContact CB-CD1 3.76Å; H219-F236 HydrophobicContact CB-CE1 3.56Å; H219-F236 AromaticContact CG-CE1 3.77Å; V221-F236 HydrophobicContact CG1-CD1 4.07Å; V221-F236 HydrophobicContact CG1-CD2 4.32Å; V221-F236 HydrophobicContact CG1-CE1 4.29Å; V221-F236 HydrophobicContact CG1-CG 4.09Å; V221-F236 HydrophobicContact CG1-CZ 4.5Å; V234-F236 HydrophobicContact CG2-CD2 4.4Å; V234-F236 HydrophobicContact CG2-CE2 4.11Å; F236-K238 PolarHBondContact O-N 3.27Å; F236-K238 VanDerWaalsContact O-N 3.15Å; F236-C239 WeakPolarHBondContact O-CB 3.3Å; F236-C239 PolarHBondContact O-N 3.14Å; F236-I326 HydrophobicContact CD2-CG1 4.08Å; F236-I326 HydrophobicContact CE2-CB 4.34Å; F236-I326 HydrophobicContact CE2-CG1 3.95Å; F236-V358 HydrophobicContact CE1-CG2 4.17Å; F236-V358 HydrophobicContact CZ-CG2 4.14Å; F236-F360 HydrophobicContact CE1-CE1 4.25Å; F236-F360 HydrophobicContact CZ-CE1 4.2Å; F236-L369 HydrophobicContact CE2-CD2 4.34Å; F236-L369 HydrophobicContact CZ-CD2 4.06Å |
| 237 | A | 97.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 21% | 0.207 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -59.6 | -31.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | Q220 Y222 V235 C239 K240 | Q220-A237 HydrophobicContact CB-CB 3.92Å; Q220-A237 VanDerWaalsContact O-CB 3.29Å; Q220-A237 WeakPolarHBondContact O-CB 3.47Å; Q220-A237 PolarHBondContact O-N 3.35Å; Y222-A237 HydrophobicContact CD2-CB 4.4Å; Y222-A237 HydrophobicContact CE2-CB 3.98Å; V235-A237 PolarHBondContact O-N 3.11Å; A237-C239 PolarHBondContact O-N 3.47Å; A237-K240 VanDerWaalsContact O-CB 3.28Å; A237-K240 WeakPolarHBondContact O-CB 3.36Å; A237-K240 PolarHBondContact O-N 2.89Å; A237-K240 VanDerWaalsContact O-N 3.1Å |
| 238 | K | 97.3 | Very high | 96.7 | Very high | 118 Ų | 118 | 39.7 Ų | 39.7 | 51% | 0.513 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -59.2 | -27.4 | 173.2 | -66.5 | -174.3 | 179.8 | 178.5 | 0 | 113 | I211 F213 F236 K240 P241 | I211-K238 HydrophobicContact CD1-CB 4.26Å; I211-K238 VanDerWaalsContact CD1-O 3.23Å; I211-K238 WeakPolarHBondContact CD1-O 3.39Å; I211-K238 HydrophobicContact CG2-CB 4.15Å; I211-K238 HydrophobicContact CG2-CD 4.36Å; F213-K238 HydrophobicContact CE1-CB 4.28Å; F213-K238 HydrophobicContact CE1-CD 4.29Å; F236-K238 PolarHBondContact O-N 3.27Å; F236-K238 VanDerWaalsContact O-N 3.15Å; K238-K240 VanDerWaalsContact C-N 3.34Å; K238-P241 WeakPolarHBondContact O-CD 3.5Å |
| 239 | C | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -82.6 | -7.4 | 178.5 | -66.1 | 0 | 0 | 0 | 0 | 113.7 | F236 A237 L242 L243 L324 | F236-C239 WeakPolarHBondContact O-CB 3.3Å; F236-C239 PolarHBondContact O-N 3.14Å; A237-C239 PolarHBondContact O-N 3.47Å; C239-L242 WeakPolarHBondContact O-CB 3.02Å; C239-L242 PolarHBondContact O-N 3.37Å; C239-L242 VanDerWaalsContact O-N 3.08Å; C239-L243 PolarHBondContact O-N 2.82Å; C239-L324 HydrophobicContact CB-CD2 4.3Å |
| 240 | K | 96 | Very high | 96.8 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57 | -45.1 | -176.5 | -179.2 | 173.4 | 173.3 | 176.1 | 0 | 113.4 | Y222 A237 K238 L242 L243 E244 | Y222-K240 HydrophobicContact CE2-CD 4.44Å; A237-K240 VanDerWaalsContact O-CB 3.28Å; A237-K240 WeakPolarHBondContact O-CB 3.36Å; A237-K240 PolarHBondContact O-N 2.89Å; A237-K240 VanDerWaalsContact O-N 3.1Å; K238-K240 VanDerWaalsContact C-N 3.34Å; K240-L242 VanDerWaalsContact C-N 3.29Å; K240-L242 PolarHBondContact O-N 2.91Å; K240-L243 WeakPolarHBondContact O-CB 3.32Å; K240-L243 PolarHBondContact O-N 2.69Å; K240-E244 WeakPolarHBondContact CE-OE1 3.31Å; K240-E244 HydrophobicContact CG-CG 4.46Å; K240-E244 WeakPolarHBondContact CG-OE1 3.42Å; K240-E244 IonicContact NZ-OE1 3.02Å; K240-E244 WeakPolarHBondContact O-CG 3.48Å; K240-E244 PolarHBondContact O-N 3.07Å |
| 241 | P | 96.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 53% | 0.532 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.1 | -33.9 | 175.9 | -23.1 | 35.1 | 0 | 0 | 0 | 113.4 | K238 A245 | K238-P241 WeakPolarHBondContact O-CD 3.5Å; P241-A245 WeakPolarHBondContact O-CB 3.29Å; P241-A245 PolarHBondContact O-N 3.48Å; P241-A245 VanDerWaalsContact O-N 3.08Å |
| 242 | L | 96.4 | Very high | 96.8 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 175.4 | -63.7 | 178.3 | 0 | 0 | 0 | 111.2 | A209 I211 C239 K240 L246 L321 | A209-L242 HydrophobicContact CB-CD1 3.99Å; A209-L242 HydrophobicContact CB-CD2 3.98Å; I211-L242 HydrophobicContact CD1-CD1 3.48Å; I211-L242 VanDerWaalsContact CD1-CD1 3.48Å; I211-L242 HydrophobicContact CD1-CG 4.2Å; C239-L242 WeakPolarHBondContact O-CB 3.02Å; C239-L242 PolarHBondContact O-N 3.37Å; C239-L242 VanDerWaalsContact O-N 3.08Å; K240-L242 VanDerWaalsContact C-N 3.29Å; K240-L242 PolarHBondContact O-N 2.91Å; L242-L246 VanDerWaalsContact O-CB 3.25Å; L242-L246 WeakPolarHBondContact O-CB 3.37Å; L242-L246 PolarHBondContact O-N 3.37Å; L242-L321 HydrophobicContact CB-CD2 4.49Å; L242-L321 HydrophobicContact CD1-CD1 4.37Å |
| 243 | L | 96.8 | Very high | 96.7 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 176.4 | 179.2 | 56.7 | 0 | 0 | 0 | 111.3 | C239 K240 A245 L246 E247 D299 L324 | C239-L243 PolarHBondContact O-N 2.82Å; K240-L243 WeakPolarHBondContact O-CB 3.32Å; K240-L243 PolarHBondContact O-N 2.69Å; L243-A245 PolarHBondContact O-N 3.45Å; L243-L246 WeakPolarHBondContact O-CB 3.28Å; L243-L246 PolarHBondContact O-N 2.91Å; L243-E247 HydrophobicContact CD1-CG 3.91Å; L243-E247 HydrophobicContact CG-CG 4.39Å; L243-E247 WeakPolarHBondContact O-CB 3.38Å; L243-E247 WeakPolarHBondContact O-CG 3.23Å; L243-E247 PolarHBondContact O-N 3.15Å; L243-D299 HydrophobicContact CD1-CB 3.77Å; L243-L324 HydrophobicContact CB-CD1 3.68Å; L243-L324 HydrophobicContact CD1-CD1 4.07Å; L243-L324 HydrophobicContact CG-CD1 4.42Å |
| 244 | E | 96.5 | Very high | 96.4 | Very high | 103 Ų | 103 | 53.3 Ų | 53.3 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 179 | -70.9 | 169 | 176.4 | 0 | 0 | 111.6 | K240 L246 E247 A248 | K240-E244 WeakPolarHBondContact CE-OE1 3.31Å; K240-E244 HydrophobicContact CG-CG 4.46Å; K240-E244 WeakPolarHBondContact CG-OE1 3.42Å; K240-E244 IonicContact NZ-OE1 3.02Å; K240-E244 WeakPolarHBondContact O-CG 3.48Å; K240-E244 PolarHBondContact O-N 3.07Å; E244-L246 VanDerWaalsContact C-N 3.35Å; E244-L246 PolarHBondContact O-N 2.72Å; E244-E247 PolarHBondContact O-N 2.99Å; E244-A248 PolarHBondContact O-N 2.94Å; E244-A248 VanDerWaalsContact O-N 3.09Å |
| 245 | A | 96.8 | Very high | 95.9 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P241 L243 K249 | P241-A245 WeakPolarHBondContact O-CB 3.29Å; P241-A245 PolarHBondContact O-N 3.48Å; P241-A245 VanDerWaalsContact O-N 3.08Å; L243-A245 PolarHBondContact O-N 3.45Å; A245-K249 WeakPolarHBondContact O-CG 3.27Å; A245-K249 PolarHBondContact O-N 3.2Å |
| 246 | L | 97.1 | Very high | 95.1 | Very high | 14 Ų | 14 | 63.5 Ų | 63.5 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.9 | -49.3 | 175.3 | 172.9 | 71.7 | 0 | 0 | 0 | 111.2 | L242 L243 E244 A248 K249 L250 R283 D299 F318 L321 | L242-L246 VanDerWaalsContact O-CB 3.25Å; L242-L246 WeakPolarHBondContact O-CB 3.37Å; L242-L246 PolarHBondContact O-N 3.37Å; L243-L246 WeakPolarHBondContact O-CB 3.28Å; L243-L246 PolarHBondContact O-N 2.91Å; E244-L246 VanDerWaalsContact C-N 3.35Å; E244-L246 PolarHBondContact O-N 2.72Å; L246-A248 VanDerWaalsContact C-N 3.3Å; L246-A248 PolarHBondContact O-N 2.84Å; L246-K249 PolarHBondContact O-N 2.97Å; L246-K249 VanDerWaalsContact O-N 3.14Å; L246-L250 HydrophobicContact CD1-CD1 4.27Å; L246-L250 HydrophobicContact CD1-CG 4.35Å; L246-L250 HydrophobicContact CD2-CD1 4.39Å; L246-L250 HydrophobicContact CG-CD1 3.92Å; L246-L250 HydrophobicContact CG-CG 4.42Å; L246-L250 WeakPolarHBondContact O-CG 3.34Å; L246-L250 PolarHBondContact O-N 3.08Å; L246-R283 HydrophobicContact CD2-CG 4.28Å; L246-R283 VanDerWaalsContact CD2-NE 3.27Å; L246-D299 WeakPolarHBondContact CD2-OD2 3.32Å; L246-F318 HydrophobicContact CD1-CD1 3.83Å; L246-L321 HydrophobicContact CB-CD2 4.47Å; L246-L321 HydrophobicContact CD2-CD2 4.19Å |
| 247 | E | 95.8 | Very high | 94.2 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.9 | -39.7 | -178.2 | -75 | -175.5 | 149.3 | 0 | 0 | 111.6 | L243 E244 L250 Q251 K282 | L243-E247 HydrophobicContact CD1-CG 3.91Å; L243-E247 HydrophobicContact CG-CG 4.39Å; L243-E247 WeakPolarHBondContact O-CB 3.38Å; L243-E247 WeakPolarHBondContact O-CG 3.23Å; L243-E247 PolarHBondContact O-N 3.15Å; E244-E247 PolarHBondContact O-N 2.99Å; E247-L250 PolarHBondContact O-N 2.66Å; E247-Q251 VanDerWaalsContact O-CG 3.29Å; E247-Q251 WeakPolarHBondContact O-CG 3.37Å; E247-Q251 PolarHBondContact O-N 2.88Å; E247-Q251 PolarHBondContact O-NE2 3.31Å; E247-K282 IonicContact OE1-NZ 2.9Å; E247-K282 PolarHBondContact OE1-NZ 3.47Å |
| 248 | A | 96.3 | Very high | 92.7 | Very high | 64 Ų | 64 | 69.8 Ų | 69.8 | 53% | 0.529 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E244 L246 Q251 S252 | E244-A248 PolarHBondContact O-N 2.94Å; E244-A248 VanDerWaalsContact O-N 3.09Å; L246-A248 VanDerWaalsContact C-N 3.3Å; L246-A248 PolarHBondContact O-N 2.84Å; A248-Q251 PolarHBondContact O-N 3.44Å; A248-S252 PolarHBondContact O-N 3.49Å; A248-S252 VanDerWaalsContact O-N 3.1Å |
| 249 | K | 96.2 | Very high | 91.5 | Very high | 140 Ų | 140 | 71.7 Ų | 71.7 | 61% | 0.609 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.6 | -40.3 | 176.7 | -69.3 | 175.2 | -179.7 | -178.1 | 0 | 112 | A245 L246 S252 W253 F318 | A245-K249 WeakPolarHBondContact O-CG 3.27Å; A245-K249 PolarHBondContact O-N 3.2Å; L246-K249 PolarHBondContact O-N 2.97Å; L246-K249 VanDerWaalsContact O-N 3.14Å; K249-S252 PolarHBondContact O-N 3.29Å; K249-W253 WeakPolarHBondContact O-CB 3.42Å; K249-W253 PolarHBondContact O-N 3.1Å; K249-F318 HydrophobicContact CB-CE1 3.79Å; K249-F318 HydrophobicContact CB-CZ 4.42Å |
| 250 | L | 96.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 175.6 | -73.8 | 167.5 | 0 | 0 | 0 | 111.3 | L246 E247 S252 W253 Y254 W281 R283 L314 F318 | L246-L250 HydrophobicContact CD1-CD1 4.27Å; L246-L250 HydrophobicContact CD1-CG 4.35Å; L246-L250 HydrophobicContact CD2-CD1 4.39Å; L246-L250 HydrophobicContact CG-CD1 3.92Å; L246-L250 HydrophobicContact CG-CG 4.42Å; L246-L250 WeakPolarHBondContact O-CG 3.34Å; L246-L250 PolarHBondContact O-N 3.08Å; E247-L250 PolarHBondContact O-N 2.66Å; L250-S252 PolarHBondContact O-N 3.18Å; L250-W253 PolarHBondContact O-N 2.99Å; L250-Y254 HydrophobicContact CD2-CD2 4Å; L250-Y254 HydrophobicContact CD2-CE2 3.82Å; L250-Y254 WeakPolarHBondContact O-CB 3.31Å; L250-Y254 PolarHBondContact O-N 3.34Å; L250-W281 HydrophobicContact CB-CB 4.49Å; L250-R283 HydrophobicContact CD1-CG 3.68Å; L250-R283 HydrophobicContact CD2-CG 4.23Å; L250-L314 HydrophobicContact CD2-CD1 4.28Å; L250-F318 HydrophobicContact CD2-CB 4.31Å; L250-F318 HydrophobicContact CD2-CD1 3.64Å; L250-F318 HydrophobicContact CD2-CD2 3.88Å; L250-F318 HydrophobicContact CD2-CE1 3.84Å; L250-F318 HydrophobicContact CD2-CE2 4.11Å; L250-F318 HydrophobicContact CD2-CG 3.67Å; L250-F318 HydrophobicContact CD2-CZ 4.08Å; L250-F318 HydrophobicContact CG-CD1 4.08Å; L250-F318 HydrophobicContact CG-CE1 4.08Å |
| 251 | Q | 95.3 | Very high | 89.5 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 21% | 0.21 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 177.5 | -65.5 | -21.8 | -73.8 | 0 | 0 | 110.4 | E247 A248 W253 S255 W281 | E247-Q251 VanDerWaalsContact O-CG 3.29Å; E247-Q251 WeakPolarHBondContact O-CG 3.37Å; E247-Q251 PolarHBondContact O-N 2.88Å; E247-Q251 PolarHBondContact O-NE2 3.31Å; A248-Q251 PolarHBondContact O-N 3.44Å; Q251-W253 VanDerWaalsContact C-N 3.28Å; Q251-W253 PolarHBondContact O-N 2.82Å; Q251-S255 VanDerWaalsContact O-CB 3.23Å; Q251-S255 WeakPolarHBondContact O-CB 3.21Å; Q251-S255 PolarHBondContact O-N 3.04Å; Q251-S255 VanDerWaalsContact O-N 3.09Å; Q251-S255 PolarHBondContact O-OG 3.07Å; Q251-W281 PolarHBondContact NE2-O 3.15Å |
| 252 | S | 94.2 | Very high | 88.5 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 66% | 0.657 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.1 | -34.6 | -179.9 | -177 | 0 | 0 | 0 | 0 | 113.2 | A248 K249 L250 | A248-S252 PolarHBondContact O-N 3.49Å; A248-S252 VanDerWaalsContact O-N 3.1Å; K249-S252 PolarHBondContact O-N 3.29Å; L250-S252 PolarHBondContact O-N 3.18Å |
| 253 | W | 94 | Very high | 87.4 | Confident | 145 Ų | 145 | 72.9 Ų | 72.9 | 55% | 0.549 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -81.7 | -40.2 | -176 | -171.9 | -93.3 | 0 | 0 | 0 | 113 | K249 L250 Q251 D315 F318 | K249-W253 WeakPolarHBondContact O-CB 3.42Å; K249-W253 PolarHBondContact O-N 3.1Å; L250-W253 PolarHBondContact O-N 2.99Å; Q251-W253 VanDerWaalsContact C-N 3.28Å; Q251-W253 PolarHBondContact O-N 2.82Å; W253-D315 WeakPolarHBondContact CZ2-OD2 3.37Å; W253-F318 HydrophobicContact CB-CE2 3.95Å; W253-F318 HydrophobicContact CB-CZ 3.73Å; W253-F318 AromaticContact CD1-CE2 3.68Å; W253-F318 HydrophobicContact CD2-CE2 4.25Å; W253-F318 HydrophobicContact CD2-CZ 4.49Å; W253-F318 AromaticContact CG-CE2 3.68Å; W253-F318 HydrophobicContact CG-CE2 3.68Å; W253-F318 AromaticContact CG-CZ 3.91Å; W253-F318 HydrophobicContact CG-CZ 3.91Å |
| 254 | Y | 92.9 | Very high | 86.4 | Confident | 7 Ų | 7 | 76.8 Ų | 76.8 | 3% | 0.027 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -98 | -11.5 | -171.4 | -75.4 | -75.9 | 0 | 0 | 0 | 114.9 | L250 D256 S257 C273 W281 K312 L313 L314 D315 F318 | L250-Y254 HydrophobicContact CD2-CD2 4Å; L250-Y254 HydrophobicContact CD2-CE2 3.82Å; L250-Y254 WeakPolarHBondContact O-CB 3.31Å; L250-Y254 PolarHBondContact O-N 3.34Å; Y254-D256 VanDerWaalsContact C-N 3.31Å; Y254-D256 PolarHBondContact O-N 3.15Å; Y254-S257 PolarHBondContact O-N 2.8Å; Y254-C273 HydrophobicContact CD1-CB 4.43Å; Y254-C273 HydrophobicContact CD2-CB 4.25Å; Y254-C273 HydrophobicContact CE1-CB 4.06Å; Y254-C273 HydrophobicContact CE2-CB 3.9Å; Y254-C273 HydrophobicContact CG-CB 4.5Å; Y254-W281 HydrophobicContact CG-CD2 4.46Å; Y254-W281 PolarHBondContact O-NE1 2.78Å; Y254-K312 HydrophobicContact CD1-CB 4.18Å; Y254-K312 HydrophobicContact CD1-CD 3.56Å; Y254-K312 HydrophobicContact CE1-CB 3.96Å; Y254-K312 HydrophobicContact CE1-CD 4.14Å; Y254-K312 PolarHBondContact O-NZ 3.26Å; Y254-L313 WeakPolarHBondContact CE1-O 3.43Å; Y254-L313 PolarHBondContact OH-O 3.35Å; Y254-L314 HydrophobicContact CE2-CD1 4.4Å; Y254-L314 VanDerWaalsContact OH-CA 3.24Å; Y254-L314 WeakPolarHBondContact OH-CA 3.45Å; Y254-D315 PolarHBondContact OH-N 2.63Å; Y254-F318 HydrophobicContact CD2-CE2 4.48Å; Y254-F318 AromaticContact CE2-CD2 3.95Å; Y254-F318 HydrophobicContact CE2-CD2 3.95Å; Y254-F318 AromaticContact CE2-CE2 3.78Å; Y254-F318 HydrophobicContact CE2-CE2 3.78Å |
| 255 | S | 87.7 | Confident | 85.4 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 52% | 0.524 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -62.5 | -36.5 | 178.2 | -65.4 | 0 | 0 | 0 | 0 | 113 | Q251 | Q251-S255 VanDerWaalsContact O-CB 3.23Å; Q251-S255 WeakPolarHBondContact O-CB 3.21Å; Q251-S255 PolarHBondContact O-N 3.04Å; Q251-S255 VanDerWaalsContact O-N 3.09Å; Q251-S255 PolarHBondContact O-OG 3.07Å |
| 256 | D | 82.5 | Confident | 84.5 | Confident | 153 Ų | 153 | 72 Ų | 72 | 82% | 0.818 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -96.6 | -4.7 | -177.6 | -62.3 | -25.4 | 0 | 0 | 0 | 113.5 | Y254 | Y254-D256 VanDerWaalsContact C-N 3.31Å; Y254-D256 PolarHBondContact O-N 3.15Å |
| 257 | S | 77.5 | Confident | 83.9 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | trans | -77.5 | 133.3 | -178.4 | 154.6 | 0 | 0 | 0 | 0 | 110.4 | Y254 K312 | Y254-S257 PolarHBondContact O-N 2.8Å; S257-K312 WeakPolarHBondContact O-CE 3.33Å; S257-K312 PolarHBondContact O-NZ 3.26Å; S257-K312 PolarHBondContact OG-NZ 3Å | ||
| 258 | S | 67 | Low | 83.6 | Confident | 116 Ų | 116 | 83.5 Ų | 83.5 | 81% | 0.811 | 45% | 0.448 | S | S | * | . | trans | -106 | -13.2 | 174 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | G260 | S258-G260 PolarHBondContact O-N 3.04Š| ||
| 259 | E | 72.7 | Confident | 83.3 | Confident | 159 Ų | 159 | 82.2 Ų | 82.2 | 74% | 0.743 | 44% | 0.441 | S | S | * | . | trans | -80.2 | 114 | -175.1 | -66.2 | -179.4 | -175 | 0 | 0 | 111 | ||||
| 260 | G | 74.9 | Confident | 83 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 171.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S258 | S258-G260 PolarHBondContact O-N 3.04Š|
| 261 | I | 75.9 | Confident | 82.9 | Confident | 16 Ų | 16 | 76 Ų | 76 | 8% | 0.082 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 129.5 | 172.8 | -169.8 | 160.2 | 0 | 0 | 0 | 110.4 | F263 L265 V266 T270 I311 L313 | I261-F263 PolarHBondContact O-N 2.91Å; I261-L265 HydrophobicContact CG1-CB 4.34Å; I261-V266 HydrophobicContact CB-CG2 4.17Å; I261-V266 HydrophobicContact CD1-CG2 3.51Å; I261-V266 HydrophobicContact CG1-CG2 3.57Å; I261-V266 HydrophobicContact CG2-CG2 3.52Å; I261-T270 HydrophobicContact CD1-CG2 4.12Å; I261-I311 HydrophobicContact CG2-CB 4.29Å; I261-I311 HydrophobicContact CG2-CG2 3.88Å; I261-I311 PolarHBondContact N-O 3.38Å; I261-L313 HydrophobicContact CD1-CB 4.22Å; I261-L313 HydrophobicContact CD1-CD1 3.72Å; I261-L313 HydrophobicContact CG1-CB 4.31Å; I261-L313 HydrophobicContact CG1-CD1 4.38Å |
| 262 | P | 74.9 | Confident | 82.8 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 43% | 0.429 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 130.6 | 168.1 | -24.7 | 32.7 | 0 | 0 | 0 | 110.6 | E264 L265 | P262-E264 PolarHBondContact O-N 2.86Å; P262-E264 VanDerWaalsContact O-N 3.16Å; P262-L265 HydrophobicContact CB-CD1 4.19Å; P262-L265 HydrophobicContact CB-CG 4.24Å; P262-L265 HydrophobicContact CG-CD1 3.99Å; P262-L265 WeakPolarHBondContact O-CB 3.5Å; P262-L265 PolarHBondContact O-N 2.93Å |
| 263 | F | 73.7 | Confident | 82.8 | Confident | 116 Ų | 116 | 69.4 Ų | 69.4 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -56.3 | -35.2 | -174.7 | 176.2 | -96.2 | 0 | 0 | 0 | 112.2 | I261 L265 V266 W308 | I261-F263 PolarHBondContact O-N 2.91Å; F263-L265 PolarHBondContact O-N 3.47Å; F263-V266 PolarHBondContact O-N 3.33Å; F263-W308 HydrophobicContact CD2-CD2 4.15Å; F263-W308 AromaticContact CD2-CE2 3.83Å; F263-W308 HydrophobicContact CD2-CE3 4.18Å; F263-W308 AromaticContact CD2-CH2 3.58Å; F263-W308 HydrophobicContact CD2-CH2 3.58Å; F263-W308 AromaticContact CD2-CZ2 3.58Å; F263-W308 HydrophobicContact CD2-CZ2 3.58Å; F263-W308 AromaticContact CD2-CZ3 3.88Å; F263-W308 HydrophobicContact CD2-CZ3 3.88Å; F263-W308 AromaticContact CE2-CE2 3.82Å; F263-W308 AromaticContact CE2-CH2 3.6Å; F263-W308 HydrophobicContact CE2-CH2 3.6Å; F263-W308 AromaticContact CE2-CZ2 3.3Å; F263-W308 HydrophobicContact CE2-CZ2 3.3Å; F263-W308 HydrophobicContact CE2-CZ3 4.37Å |
| 264 | E | 75.6 | Confident | 82.8 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 52% | 0.523 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -64.4 | -25.1 | -178.4 | -59.2 | 73.4 | -158.1 | 0 | 0 | 113 | P262 V266 | P262-E264 PolarHBondContact O-N 2.86Å; P262-E264 VanDerWaalsContact O-N 3.16Å; E264-V266 VanDerWaalsContact C-N 3.35Å |
| 265 | L | 75.3 | Confident | 82.8 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -83.4 | -14.3 | 177.7 | -63.5 | -179.8 | 0 | 0 | 0 | 112.4 | A192 I194 I261 P262 F263 K267 T270 | A192-L265 HydrophobicContact CB-CD2 4.48Å; I194-L265 HydrophobicContact CD1-CB 4.25Å; I194-L265 WeakPolarHBondContact CD1-O 3.31Å; I261-L265 HydrophobicContact CG1-CB 4.34Å; P262-L265 HydrophobicContact CB-CD1 4.19Å; P262-L265 HydrophobicContact CB-CG 4.24Å; P262-L265 HydrophobicContact CG-CD1 3.99Å; P262-L265 WeakPolarHBondContact O-CB 3.5Å; P262-L265 PolarHBondContact O-N 2.93Å; F263-L265 PolarHBondContact O-N 3.47Å; L265-K267 PolarHBondContact O-N 3.01Å; L265-K267 VanDerWaalsContact O-N 3.08Å; L265-T270 PolarHBondContact O-OG1 3.21Å |
| 266 | V | 78.4 | Confident | 82.9 | Confident | 22 Ų | 22 | 62 Ų | 62 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | trans | -87.5 | 87.4 | -173.8 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | I261 F263 E264 V286 T293 W308 | I261-V266 HydrophobicContact CB-CG2 4.17Å; I261-V266 HydrophobicContact CD1-CG2 3.51Å; I261-V266 HydrophobicContact CG1-CG2 3.57Å; I261-V266 HydrophobicContact CG2-CG2 3.52Å; F263-V266 PolarHBondContact O-N 3.33Å; E264-V266 VanDerWaalsContact C-N 3.35Å; V266-V286 HydrophobicContact CG1-CB 4.28Å; V266-V286 HydrophobicContact CG1-CG1 3.79Å; V266-V286 HydrophobicContact CG1-CG2 3.65Å; V266-T293 HydrophobicContact CG1-CG2 4.19Å; V266-W308 HydrophobicContact CB-CH2 3.91Å; V266-W308 HydrophobicContact CB-CZ3 3.51Å; V266-W308 HydrophobicContact CG1-CH2 3.63Å; V266-W308 HydrophobicContact CG1-CZ3 3.43Å; V266-W308 VanDerWaalsContact CG1-CZ3 3.43Å; V266-W308 HydrophobicContact CG2-CE3 4.48Å; V266-W308 HydrophobicContact CG2-CZ3 3.66Å | ||
| 267 | K | 84.6 | Confident | 83.1 | Confident | 146 Ų | 146 | 60.7 Ų | 60.7 | 64% | 0.635 | 33% | 0.327 | S | S | * | . | trans | -109.3 | 156.7 | 172.1 | -63.3 | 175.6 | -174.5 | 171.7 | 0 | 110.2 | L265 G269 T270 | L265-K267 PolarHBondContact O-N 3.01Å; L265-K267 VanDerWaalsContact O-N 3.08Å; K267-G269 PolarHBondContact O-N 2.87Å; K267-T270 PolarHBondContact N-OG1 3.16Å; K267-T270 VanDerWaalsContact N-OG1 3.15Å; K267-T270 WeakPolarHBondContact O-CB 3.37Å; K267-T270 PolarHBondContact O-N 2.87Å; K267-T270 PolarHBondContact O-OG1 3.47Å | ||
| 268 | K | 89.5 | Confident | 83.6 | Confident | 159 Ų | 159 | 63.2 Ų | 63.2 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 130.7 | 170.3 | -179.8 | 174.9 | -174.7 | 174.9 | 0 | 110.1 | V286 E287 | K268-V286 CarbonylContact C-O 3.56Å; K268-V286 WeakPolarHBondContact CA-O 3.37Å; K268-E287 VanDerWaalsContact CD-O 3.25Å; K268-E287 WeakPolarHBondContact CD-O 3.33Å; K268-E287 WeakPolarHBondContact CE-O 3.42Å; K268-E287 WeakPolarHBondContact CG-O 3.34Å |
| 269 | G | 90.2 | Very high | 84.7 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -7.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K267 P271 V286 | K267-G269 PolarHBondContact O-N 2.87Å; G269-P271 VanDerWaalsContact O-CD 3.24Å; G269-P271 WeakPolarHBondContact O-CD 3.25Å; G269-V286 PolarHBondContact N-O 2.81Å |
| 270 | T | 90.5 | Very high | 85.7 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | trans | -67.2 | 120.7 | 178.3 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | I194 I261 L265 K267 V286 | I194-T270 HydrophobicContact CD1-CG2 3.79Å; I194-T270 HydrophobicContact CG2-CG2 4.17Å; I261-T270 HydrophobicContact CD1-CG2 4.12Å; L265-T270 PolarHBondContact O-OG1 3.21Å; K267-T270 PolarHBondContact N-OG1 3.16Å; K267-T270 VanDerWaalsContact N-OG1 3.15Å; K267-T270 WeakPolarHBondContact O-CB 3.37Å; K267-T270 PolarHBondContact O-N 2.87Å; K267-T270 PolarHBondContact O-OG1 3.47Å; T270-V286 PolarHBondContact O-N 2.77Å | ||
| 271 | P | 93.9 | Very high | 86.6 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 132.4 | 168 | -24.3 | 39.2 | 0 | 0 | 0 | 111 | I194 Y197 G269 L314 M319 | I194-P271 VanDerWaalsContact CG2-CD 3.47Å; I194-P271 HydrophobicContact CG2-CG 4.49Å; Y197-P271 HydrophobicContact CD2-CB 4.06Å; Y197-P271 HydrophobicContact CD2-CG 3.82Å; Y197-P271 HydrophobicContact CE1-CB 4.46Å; Y197-P271 HydrophobicContact CE2-CB 3.49Å; Y197-P271 VanDerWaalsContact CE2-CB 3.49Å; Y197-P271 HydrophobicContact CE2-CG 3.74Å; G269-P271 VanDerWaalsContact O-CD 3.24Å; G269-P271 WeakPolarHBondContact O-CD 3.25Å; P271-L314 HydrophobicContact CB-CB 4.24Å; P271-L314 HydrophobicContact CB-CD2 4Å; P271-M319 HydrophobicContact CB-CG 4.45Å; P271-M319 HydrophobicContact CB-SD 3.63Å; P271-M319 HydrophobicContact CG-SD 3.69Å |
| 272 | C | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 167.1 | 178.7 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | A284 I311 K312 | C272-A284 PolarHBondContact N-O 3.22Å; C272-A284 PolarHBondContact O-N 3.01Å; C272-A284 VanDerWaalsContact O-O 3.1Å; C272-I311 HydrophobicContact CB-CG2 3.7Å; C272-K312 CarbonylContact C-O 3.59Å; C272-K312 WeakPolarHBondContact CA-O 3.34Å; C272-K312 WeakPolarHBondContact CB-O 3.44Å |
| 273 | C | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.7 | 166.8 | -167.3 | 0 | 0 | 0 | 0 | 108.3 | Y254 K282 I311 K312 L314 | Y254-C273 HydrophobicContact CD1-CB 4.43Å; Y254-C273 HydrophobicContact CD2-CB 4.25Å; Y254-C273 HydrophobicContact CE1-CB 4.06Å; Y254-C273 HydrophobicContact CE2-CB 3.9Å; Y254-C273 HydrophobicContact CG-CB 4.5Å; C273-K282 CarbonylContact C-O 3.59Å; C273-K282 WeakPolarHBondContact CA-O 3.37Å; C273-K282 PolarHBondContact SG-O 2.9Å; C273-K282 VanDerWaalsContact SG-O 3.35Å; C273-I311 WeakPolarHBondContact O-CA 3.34Å; C273-K312 PolarHBondContact N-O 3.32Å; C273-K312 PolarHBondContact O-N 2.87Å; C273-L314 HydrophobicContact CB-CD1 3.99Å |
| 274 | A | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K282 A284 I295 F297 K310 I311 | A274-K282 PolarHBondContact N-O 2.99Å; A274-K282 PolarHBondContact O-N 3.16Å; A274-A284 HydrophobicContact CB-CB 4.14Å; A274-I295 HydrophobicContact CB-CD1 3.29Å; A274-F297 HydrophobicContact CB-CE1 3.99Å; A274-F297 HydrophobicContact CB-CZ 4.38Å; A274-K310 VanDerWaalsContact CA-O 3.31Å; A274-K310 WeakPolarHBondContact CA-O 3.21Å; A274-I311 HydrophobicContact CB-CG1 4.5Å |
| 275 | M | 92.6 | Very high | 90.6 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 123 | 173.6 | -172.9 | -176.6 | -65.2 | 0 | 0 | 109.3 | W281 Y306 K310 | M275-W281 HydrophobicContact CB-CD2 4.2Å; M275-W281 HydrophobicContact CB-CE3 3.89Å; M275-W281 HydrophobicContact CB-CH2 3.97Å; M275-W281 HydrophobicContact CB-CZ2 4.33Å; M275-W281 HydrophobicContact CB-CZ3 3.77Å; M275-W281 HydrophobicContact CE-CD2 4.27Å; M275-W281 VanDerWaalsContact CE-CE2 3.42Å; M275-W281 HydrophobicContact CE-CH2 3.78Å; M275-W281 HydrophobicContact CE-CZ2 3.15Å; M275-Y306 WeakPolarHBondContact O-CE1 3.16Å; M275-K310 PolarHBondContact N-O 3.42Å |
| 276 | N | 89.7 | Confident | 91.4 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | trans | -78.7 | 178.7 | 178.6 | 77.4 | -1.2 | 0 | 0 | 0 | 113 | K278 S279 I280 K282 F297 Y306 | N276-K278 PolarHBondContact O-N 3.36Å; N276-K278 VanDerWaalsContact O-N 3.09Å; N276-K278 WeakPolarHBondContact OD1-CA 3.36Å; N276-K278 WeakPolarHBondContact OD1-CB 3.48Å; N276-K278 PolarHBondContact OD1-N 2.83Å; N276-S279 PolarHBondContact O-N 3.49Å; N276-S279 PolarHBondContact OD1-N 2.77Å; N276-I280 PolarHBondContact N-O 2.98Å; N276-I280 WeakPolarHBondContact OD1-CB 3.46Å; N276-I280 PolarHBondContact OD1-N 3.18Å; N276-I280 PolarHBondContact OD1-O 3.11Å; N276-K282 VanDerWaalsContact ND2-CE 3.3Å; N276-K282 WeakPolarHBondContact ND2-CE 3.43Å; N276-F297 HydrophobicContact CB-CZ 4.16Å; N276-Y306 WeakPolarHBondContact CA-OH 3.37Å | ||
| 277 | H | 86.7 | Confident | 92 | Very high | 124 Ų | 124 | 44 Ų | 44 | 57% | 0.574 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -13.9 | 177.2 | 68.7 | -83.7 | 0 | 0 | 0 | 115.2 | R304 | H277-R304 PolarHBondContact ND1-NH1 2.72Š|
| 278 | K | 88.4 | Confident | 92.2 | Very high | 96 Ų | 96 | 38.1 Ų | 38.1 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 12.4 | 174.4 | -64.2 | -169.1 | 169.6 | -161.2 | 0 | 112.4 | N276 I280 L471 P472 | N276-K278 PolarHBondContact O-N 3.36Å; N276-K278 VanDerWaalsContact O-N 3.09Å; N276-K278 WeakPolarHBondContact OD1-CA 3.36Å; N276-K278 WeakPolarHBondContact OD1-CB 3.48Å; N276-K278 PolarHBondContact OD1-N 2.83Å; K278-I280 VanDerWaalsContact C-N 3.26Å; K278-I280 HydrophobicContact CB-CD1 4.01Å; K278-I280 HydrophobicContact CB-CG1 4.15Å; K278-I280 HydrophobicContact CD-CD1 4.41Å; K278-I280 PolarHBondContact O-N 3.31Å; K278-L471 PolarHBondContact NZ-O 3.43Å; K278-P472 PolarHBondContact NZ-O 3.32Å; K278-P472 PolarHBondContact NZ-OXT 3.34Å |
| 279 | S | 90 | Very high | 91.4 | Very high | 86 Ų | 86 | 33.2 Ų | 33.2 | 60% | 0.601 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 61.3 | 30.1 | -175.3 | -52.5 | 0 | 0 | 0 | 0 | 114.4 | N276 | N276-S279 PolarHBondContact O-N 3.49Å; N276-S279 PolarHBondContact OD1-N 2.77Å |
| 280 | I | 93.1 | Very high | 90.4 | Very high | 51 Ų | 51 | 36 Ų | 36 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | trans | -106.2 | 126.4 | 179.1 | -58.6 | 172.9 | 0 | 0 | 0 | 109.2 | N276 K278 K282 | N276-I280 PolarHBondContact N-O 2.98Å; N276-I280 WeakPolarHBondContact OD1-CB 3.46Å; N276-I280 PolarHBondContact OD1-N 3.18Å; N276-I280 PolarHBondContact OD1-O 3.11Å; K278-I280 VanDerWaalsContact C-N 3.26Å; K278-I280 HydrophobicContact CB-CD1 4.01Å; K278-I280 HydrophobicContact CB-CG1 4.15Å; K278-I280 HydrophobicContact CD-CD1 4.41Å; K278-I280 PolarHBondContact O-N 3.31Å; I280-K282 HydrophobicContact CG2-CG 4.36Å | ||
| 281 | W | 94.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 127.4 | 174.5 | -68.4 | 106.7 | 0 | 0 | 0 | 111.3 | L250 Q251 Y254 M275 K312 | L250-W281 HydrophobicContact CB-CB 4.49Å; Q251-W281 PolarHBondContact NE2-O 3.15Å; Y254-W281 HydrophobicContact CG-CD2 4.46Å; Y254-W281 PolarHBondContact O-NE1 2.78Å; M275-W281 HydrophobicContact CB-CD2 4.2Å; M275-W281 HydrophobicContact CB-CE3 3.89Å; M275-W281 HydrophobicContact CB-CH2 3.97Å; M275-W281 HydrophobicContact CB-CZ2 4.33Å; M275-W281 HydrophobicContact CB-CZ3 3.77Å; M275-W281 HydrophobicContact CE-CD2 4.27Å; M275-W281 VanDerWaalsContact CE-CE2 3.42Å; M275-W281 HydrophobicContact CE-CH2 3.78Å; M275-W281 HydrophobicContact CE-CZ2 3.15Å; W281-K312 HydrophobicContact CH2-CD 3.5Å; W281-K312 VanDerWaalsContact CH2-CD 3.5Å; W281-K312 HydrophobicContact CH2-CG 3.91Å; W281-K312 HydrophobicContact CZ2-CD 4.01Å; W281-K312 HydrophobicContact CZ3-CD 3.77Å; W281-K312 HydrophobicContact CZ3-CG 3.92Å |
| 282 | K | 96.1 | Very high | 88.6 | Confident | 50 Ų | 50 | 48 Ų | 48 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 154.7 | 178.3 | -66.9 | -178.4 | -179.8 | -95 | 0 | 110.7 | E247 C273 A274 N276 I280 F297 | E247-K282 IonicContact OE1-NZ 2.9Å; E247-K282 PolarHBondContact OE1-NZ 3.47Å; C273-K282 CarbonylContact C-O 3.59Å; C273-K282 WeakPolarHBondContact CA-O 3.37Å; C273-K282 PolarHBondContact SG-O 2.9Å; C273-K282 VanDerWaalsContact SG-O 3.35Å; A274-K282 PolarHBondContact N-O 2.99Å; A274-K282 PolarHBondContact O-N 3.16Å; N276-K282 VanDerWaalsContact ND2-CE 3.3Å; N276-K282 WeakPolarHBondContact ND2-CE 3.43Å; I280-K282 HydrophobicContact CG2-CG 4.36Å; K282-F297 HydrophobicContact CB-CD1 3.59Å; K282-F297 HydrophobicContact CB-CE1 3.76Å; K282-F297 HydrophobicContact CD-CD1 4.11Å; K282-F297 HydrophobicContact CD-CE1 4.3Å; K282-F297 HydrophobicContact CG-CD1 4.48Å |
| 283 | R | 97 | Very high | 88 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 139.5 | 171.8 | -56.5 | -167.4 | -58.2 | 173.1 | -1.7 | 110.1 | L246 L250 F297 V298 D299 L314 F318 L321 P322 | L246-R283 HydrophobicContact CD2-CG 4.28Å; L246-R283 VanDerWaalsContact CD2-NE 3.27Å; L250-R283 HydrophobicContact CD1-CG 3.68Å; L250-R283 HydrophobicContact CD2-CG 4.23Å; R283-F297 WeakPolarHBondContact O-CA 3.38Å; R283-V298 HydrophobicContact CB-CG2 3.58Å; R283-V298 PolarHBondContact O-N 3.05Å; R283-D299 IonicContact CZ-OD1 3.57Å; R283-D299 IonicContact CZ-OD2 3.22Å; R283-D299 IonicContact NE-OD1 2.76Å; R283-D299 IonicContact NE-OD2 2.72Å; R283-D299 PolarHBondContact NE-OD2 3.16Å; R283-D299 IonicContact NH2-OD1 2.79Å; R283-D299 PolarHBondContact NH2-OD1 3.38Å; R283-D299 IonicContact NH2-OD2 3.5Å; R283-D299 PolarHBondContact NH2-OD2 3.47Å; R283-L314 HydrophobicContact CG-CD1 4.23Å; R283-L314 HydrophobicContact CG-CD2 4.43Å; R283-F318 WeakPolarHBondContact CD-O 3.29Å; R283-F318 PolarHBondContact NH1-O 3.4Å; R283-L321 PolarHBondContact NH1-O 3Å; R283-P322 PolarHBondContact NH2-O 2.85Å |
| 284 | A | 96.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 169.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y197 C272 A274 I295 R296 F297 | Y197-A284 PolarHBondContact OH-N 3.26Å; Y197-A284 PolarHBondContact OH-O 3.32Å; C272-A284 PolarHBondContact N-O 3.22Å; C272-A284 PolarHBondContact O-N 3.01Å; C272-A284 VanDerWaalsContact O-O 3.1Å; A274-A284 HydrophobicContact CB-CB 4.14Å; A284-I295 HydrophobicContact CB-CB 4.32Å; A284-I295 HydrophobicContact CB-CD1 3.98Å; A284-R296 CarbonylContact C-O 3.59Å; A284-R296 WeakPolarHBondContact CA-O 3.24Å; A284-R296 WeakPolarHBondContact CB-O 3.44Å; A284-F297 HydrophobicContact CB-CD1 4.27Å |
| 285 | M | 94.8 | Very high | 88 | Confident | 44 Ų | 44 | 50.7 Ų | 50.7 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 137.9 | 172.7 | -176.7 | 176.8 | -66.4 | 0 | 0 | 108.7 | Y197 E287 I295 R296 V298 | Y197-M285 HydrophobicContact CD2-CE 3.38Å; Y197-M285 HydrophobicContact CE2-CB 4.4Å; Y197-M285 HydrophobicContact CE2-CE 3.67Å; M285-E287 PolarHBondContact O-N 3.4Å; M285-I295 CarbonylContact O-C 3.55Å; M285-I295 VanDerWaalsContact O-CA 3.25Å; M285-I295 WeakPolarHBondContact O-CA 3.49Å; M285-R296 PolarHBondContact N-O 3.39Å; M285-R296 PolarHBondContact O-N 2.85Å; M285-V298 HydrophobicContact CB-CG1 3.7Å |
| 286 | V | 92.5 | Very high | 88.1 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 122.3 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | V266 K268 G269 T270 T293 I295 | V266-V286 HydrophobicContact CG1-CB 4.28Å; V266-V286 HydrophobicContact CG1-CG1 3.79Å; V266-V286 HydrophobicContact CG1-CG2 3.65Å; K268-V286 CarbonylContact C-O 3.56Å; K268-V286 WeakPolarHBondContact CA-O 3.37Å; G269-V286 PolarHBondContact N-O 2.81Å; T270-V286 PolarHBondContact O-N 2.77Å; V286-T293 HydrophobicContact CB-CG2 4.44Å; V286-T293 HydrophobicContact CG1-CG2 3.84Å; V286-T293 HydrophobicContact CG2-CG2 4.02Å; V286-I295 HydrophobicContact CG2-CG2 4.48Å |
| 287 | E | 91.7 | Very high | 88.5 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -26.8 | 178.2 | -69.6 | -63.6 | 143.2 | 0 | 0 | 112.1 | K268 M285 F294 R296 | K268-E287 VanDerWaalsContact CD-O 3.25Å; K268-E287 WeakPolarHBondContact CD-O 3.33Å; K268-E287 WeakPolarHBondContact CE-O 3.42Å; K268-E287 WeakPolarHBondContact CG-O 3.34Å; M285-E287 PolarHBondContact O-N 3.4Å; E287-F294 HydrophobicContact CB-CD1 3.34Å; E287-F294 HydrophobicContact CB-CE1 3.8Å; E287-F294 HydrophobicContact CB-CG 4.23Å; E287-F294 HydrophobicContact CG-CD1 4.2Å; E287-F294 HydrophobicContact CG-CE1 4.25Å; E287-F294 PolarHBondContact N-O 3.23Å; E287-R296 VanDerWaalsContact CD-NH1 3.34Å; E287-R296 HydrophobicContact CG-CB 3.92Å; E287-R296 IonicContact OE1-CZ 2.8Å; E287-R296 IonicContact OE1-NE 2.69Å; E287-R296 IonicContact OE1-NH1 3.6Å; E287-R296 PolarHBondContact OE1-NH1 3.22Å; E287-R296 IonicContact OE1-NH2 3.28Å; E287-R296 PolarHBondContact OE1-NH2 3.5Å; E287-R296 IonicContact OE2-CZ 2.68Å; E287-R296 IonicContact OE2-NH1 3.85Å; E287-R296 IonicContact OE2-NH2 3.29Å; E287-R296 PolarHBondContact OE2-NH2 2.79Å |
| 288 | G | 87.1 | Confident | 89 | Confident | 23 Ų | 23 | 44.9 Ų | 44.9 | 24% | 0.237 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160 | -165.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F294 | G288-F294 PolarHBondContact N-O 2.82Å; G288-F294 WeakPolarHBondContact O-CA 3.47Å; G288-F294 WeakPolarHBondContact O-CB 3.27Å; G288-F294 PolarHBondContact O-N 2.9Å |
| 289 | G | 73.2 | Confident | 89.5 | Confident | 56 Ų | 56 | 41 Ų | 41 | 58% | 0.577 | 23% | 0.227 | S | C | * | . | trans | 110.9 | 147.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C292 | G289-C292 WeakPolarHBondContact CA-O 3.43Š| ||
| 290 | S | 69.2 | Low | 89.8 | Confident | 95 Ų | 95 | 38.2 Ų | 38.2 | 66% | 0.664 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -107.6 | -56.5 | 179.6 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 291 | R | 69 | Low | 89.9 | Confident | 208 Ų | 208 | 35.9 Ų | 35.9 | 79% | 0.785 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -87.6 | -47.5 | 179.7 | -65.9 | -175.4 | 178.7 | -176.5 | 0.6 | 112.6 | W308 | R291-W308 PolarHBondContact O-NE1 2.93Š|
| 292 | C | 76.9 | Confident | 89.9 | Confident | 54 Ų | 54 | 38.4 Ų | 38.4 | 37% | 0.365 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -111.1 | 143.5 | 172.5 | -58.4 | 0 | 0 | 0 | 0 | 108.6 | G289 F294 Y305 | G289-C292 WeakPolarHBondContact CA-O 3.43Å; C292-F294 PolarHBondContact O-N 2.76Å; C292-Y305 HydrophobicContact CB-CD1 4.1Å |
| 293 | T | 82.5 | Confident | 89.8 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 117.5 | 179.2 | -50.6 | 0 | 0 | 0 | 0 | 109 | V266 V286 I295 Y305 Y306 W308 I311 | V266-T293 HydrophobicContact CG1-CG2 4.19Å; V286-T293 HydrophobicContact CB-CG2 4.44Å; V286-T293 HydrophobicContact CG1-CG2 3.84Å; V286-T293 HydrophobicContact CG2-CG2 4.02Å; T293-I295 HydrophobicContact CG2-CG2 3.56Å; T293-I295 PolarHBondContact O-N 3.46Å; T293-Y305 WeakPolarHBondContact O-CA 3.3Å; T293-Y306 PolarHBondContact N-O 3.17Å; T293-Y306 PolarHBondContact O-N 2.9Å; T293-W308 HydrophobicContact CG2-CH2 4.47Å; T293-W308 WeakPolarHBondContact OG1-CH2 3.32Å; T293-W308 WeakPolarHBondContact OG1-CZ2 3.4Å; T293-W308 WeakPolarHBondContact OG1-CZ3 3.5Å; T293-I311 VanDerWaalsContact CB-CD1 3.48Å; T293-I311 HydrophobicContact CG2-CD1 3.84Å |
| 294 | F | 92.1 | Very high | 89.6 | Confident | 56 Ų | 56 | 43 Ų | 43 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 117.1 | 168 | -173 | -125.4 | 0 | 0 | 0 | 108.4 | E287 G288 C292 T303 Y305 | E287-F294 HydrophobicContact CB-CD1 3.34Å; E287-F294 HydrophobicContact CB-CE1 3.8Å; E287-F294 HydrophobicContact CB-CG 4.23Å; E287-F294 HydrophobicContact CG-CD1 4.2Å; E287-F294 HydrophobicContact CG-CE1 4.25Å; E287-F294 PolarHBondContact N-O 3.23Å; G288-F294 PolarHBondContact N-O 2.82Å; G288-F294 WeakPolarHBondContact O-CA 3.47Å; G288-F294 WeakPolarHBondContact O-CB 3.27Å; G288-F294 PolarHBondContact O-N 2.9Å; C292-F294 PolarHBondContact O-N 2.76Å; F294-T303 VanDerWaalsContact CZ-CB 3.47Å; F294-T303 HydrophobicContact CZ-CG2 3.96Å; F294-Y305 HydrophobicContact CB-CD1 3.97Å; F294-Y305 HydrophobicContact CB-CE1 3.7Å; F294-Y305 HydrophobicContact CD2-CD1 4.12Å; F294-Y305 HydrophobicContact CD2-CD2 4.17Å; F294-Y305 AromaticContact CD2-CE1 3.91Å; F294-Y305 HydrophobicContact CD2-CE1 3.91Å; F294-Y305 AromaticContact CD2-CE2 3.95Å; F294-Y305 HydrophobicContact CD2-CE2 3.95Å; F294-Y305 HydrophobicContact CD2-CG 4.25Å; F294-Y305 AromaticContact CD2-CZ 3.82Å; F294-Y305 HydrophobicContact CE2-CE2 4.32Å; F294-Y305 HydrophobicContact CG-CD1 4.5Å; F294-Y305 HydrophobicContact CG-CE1 4.1Å |
| 295 | I | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153.8 | -178.3 | 68.1 | 174.1 | 0 | 0 | 0 | 111.1 | A274 A284 M285 V286 T293 F297 T303 R304 Y306 I311 | A274-I295 HydrophobicContact CB-CD1 3.29Å; A284-I295 HydrophobicContact CB-CB 4.32Å; A284-I295 HydrophobicContact CB-CD1 3.98Å; M285-I295 CarbonylContact O-C 3.55Å; M285-I295 VanDerWaalsContact O-CA 3.25Å; M285-I295 WeakPolarHBondContact O-CA 3.49Å; V286-I295 HydrophobicContact CG2-CG2 4.48Å; T293-I295 HydrophobicContact CG2-CG2 3.56Å; T293-I295 PolarHBondContact O-N 3.46Å; I295-F297 HydrophobicContact CD1-CE1 4.38Å; I295-F297 HydrophobicContact CD1-CZ 4.13Å; I295-T303 CarbonylContact O-C 3.6Å; I295-T303 VanDerWaalsContact O-CA 3.24Å; I295-T303 WeakPolarHBondContact O-CA 3.39Å; I295-R304 PolarHBondContact N-O 2.83Å; I295-R304 PolarHBondContact O-N 2.65Å; I295-Y306 HydrophobicContact CD1-CD2 3.29Å; I295-Y306 HydrophobicContact CD1-CE2 3.69Å; I295-Y306 HydrophobicContact CD1-CG 3.89Å; I295-Y306 HydrophobicContact CG1-CD2 3.58Å; I295-Y306 HydrophobicContact CG1-CE2 4.08Å; I295-Y306 HydrophobicContact CG1-CG 4.47Å; I295-I311 HydrophobicContact CG2-CD1 4.08Å |
| 296 | R | 96 | Very high | 89 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126 | 166.2 | -171.4 | -179.9 | -62.2 | 118.3 | 12.3 | 109.6 | A284 M285 E287 V298 E302 T303 | A284-R296 CarbonylContact C-O 3.59Å; A284-R296 WeakPolarHBondContact CA-O 3.24Å; A284-R296 WeakPolarHBondContact CB-O 3.44Å; M285-R296 PolarHBondContact N-O 3.39Å; M285-R296 PolarHBondContact O-N 2.85Å; E287-R296 VanDerWaalsContact CD-NH1 3.34Å; E287-R296 HydrophobicContact CG-CB 3.92Å; E287-R296 IonicContact OE1-CZ 2.8Å; E287-R296 IonicContact OE1-NE 2.69Å; E287-R296 IonicContact OE1-NH1 3.6Å; E287-R296 PolarHBondContact OE1-NH1 3.22Å; E287-R296 IonicContact OE1-NH2 3.28Å; E287-R296 PolarHBondContact OE1-NH2 3.5Å; E287-R296 IonicContact OE2-CZ 2.68Å; E287-R296 IonicContact OE2-NH1 3.85Å; E287-R296 IonicContact OE2-NH2 3.29Å; E287-R296 PolarHBondContact OE2-NH2 2.79Å; R296-V298 PolarHBondContact O-N 2.88Å; R296-E302 CarbonylContact C-O 3.59Å; R296-E302 WeakPolarHBondContact CA-O 3.49Å; R296-T303 HydrophobicContact CB-CG2 3.88Å; R296-T303 HydrophobicContact CG-CG2 3.81Å |
| 297 | F | 97.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 110 | 166 | -69.7 | -71.1 | 0 | 0 | 0 | 109 | A274 N276 K282 R283 A284 I295 D299 S300 G301 E302 Y306 | A274-F297 HydrophobicContact CB-CE1 3.99Å; A274-F297 HydrophobicContact CB-CZ 4.38Å; N276-F297 HydrophobicContact CB-CZ 4.16Å; K282-F297 HydrophobicContact CB-CD1 3.59Å; K282-F297 HydrophobicContact CB-CE1 3.76Å; K282-F297 HydrophobicContact CD-CD1 4.11Å; K282-F297 HydrophobicContact CD-CE1 4.3Å; K282-F297 HydrophobicContact CG-CD1 4.48Å; R283-F297 WeakPolarHBondContact O-CA 3.38Å; A284-F297 HydrophobicContact CB-CD1 4.27Å; I295-F297 HydrophobicContact CD1-CE1 4.38Å; I295-F297 HydrophobicContact CD1-CZ 4.13Å; F297-D299 PolarHBondContact O-N 2.98Å; F297-D299 VanDerWaalsContact O-N 3.16Å; F297-S300 WeakPolarHBondContact CB-OG 3.24Å; F297-S300 PolarHBondContact O-N 2.84Å; F297-G301 WeakPolarHBondContact O-CA 3.35Å; F297-G301 PolarHBondContact O-N 3.03Å; F297-E302 HydrophobicContact CD2-CB 4.39Å; F297-E302 PolarHBondContact N-O 3.02Å; F297-Y306 AromaticContact CE2-CE2 3.69Å; F297-Y306 HydrophobicContact CE2-CE2 3.69Å; F297-Y306 AromaticContact CE2-CZ 4Å; F297-Y306 AromaticContact CZ-CE2 3.63Å; F297-Y306 HydrophobicContact CZ-CE2 3.63Å; F297-Y306 AromaticContact CZ-CZ 3.66Å; F297-Y306 WeakPolarHBondContact CZ-OH 3.4Å |
| 298 | V | 97.6 | Very high | 88 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 6% | 0.055 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.4 | -167.9 | -61.4 | 0 | 0 | 0 | 0 | 113.5 | Y197 R283 M285 R296 P323 L324 A325 | Y197-V298 HydrophobicContact CE1-CG2 4.16Å; Y197-V298 HydrophobicContact CE2-CG1 3.99Å; Y197-V298 HydrophobicContact CE2-CG2 4.41Å; R283-V298 HydrophobicContact CB-CG2 3.58Å; R283-V298 PolarHBondContact O-N 3.05Å; M285-V298 HydrophobicContact CB-CG1 3.7Å; R296-V298 PolarHBondContact O-N 2.88Å; V298-P323 HydrophobicContact CB-CB 3.88Å; V298-P323 HydrophobicContact CB-CG 4.05Å; V298-P323 HydrophobicContact CG2-CB 4.38Å; V298-P323 HydrophobicContact CG2-CG 4.42Å; V298-P323 WeakPolarHBondContact O-CB 2.94Å; V298-L324 PolarHBondContact O-N 3.15Å; V298-A325 VanDerWaalsContact O-CB 3.29Å; V298-A325 WeakPolarHBondContact O-CB 3.24Å; V298-A325 PolarHBondContact O-N 2.95Å; V298-A325 VanDerWaalsContact O-N 3.07Å |
| 299 | D | 98.1 | Very high | 87.7 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -7.8 | -179.2 | -62.9 | -43.9 | 0 | 0 | 0 | 113.9 | V235 L243 L246 R283 F297 L324 | V235-D299 WeakPolarHBondContact CG2-O 3.13Å; L243-D299 HydrophobicContact CD1-CB 3.77Å; L246-D299 WeakPolarHBondContact CD2-OD2 3.32Å; R283-D299 IonicContact CZ-OD1 3.57Å; R283-D299 IonicContact CZ-OD2 3.22Å; R283-D299 IonicContact NE-OD1 2.76Å; R283-D299 IonicContact NE-OD2 2.72Å; R283-D299 PolarHBondContact NE-OD2 3.16Å; R283-D299 IonicContact NH2-OD1 2.79Å; R283-D299 PolarHBondContact NH2-OD1 3.38Å; R283-D299 IonicContact NH2-OD2 3.5Å; R283-D299 PolarHBondContact NH2-OD2 3.47Å; F297-D299 PolarHBondContact O-N 2.98Å; F297-D299 VanDerWaalsContact O-N 3.16Å; D299-L324 HydrophobicContact CB-CB 4.28Å; D299-L324 WeakPolarHBondContact OD1-CB 3.4Å; D299-L324 WeakPolarHBondContact OD1-CG 3.16Å; D299-L324 PolarHBondContact OD1-N 3.2Å |
| 300 | S | 96.4 | Very high | 88.3 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -18.4 | 170.7 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | G224 S225 F297 E302 | G224-S300 CarbonylContact C-O 3.49Å; G224-S300 WeakPolarHBondContact CA-O 3.22Å; S225-S300 PolarHBondContact N-O 3.25Å; F297-S300 WeakPolarHBondContact CB-OG 3.24Å; F297-S300 PolarHBondContact O-N 2.84Å; S300-E302 PolarHBondContact O-N 2.89Å; S300-E302 WeakPolarHBondContact OG-CB 3.44Å; S300-E302 PolarHBondContact OG-N 2.73Å |
| 301 | G | 96.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | 74.8 | 2 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | S225 F297 A325 | S225-G301 VanDerWaalsContact CB-O 3.29Å; S225-G301 WeakPolarHBondContact CB-O 3.15Å; S225-G301 VanDerWaalsContact OG-C 3.25Å; S225-G301 PolarHBondContact OG-O 3.47Å; F297-G301 WeakPolarHBondContact O-CA 3.35Å; F297-G301 PolarHBondContact O-N 3.03Å; G301-A325 VanDerWaalsContact N-CB 3.31Å | ||
| 302 | E | 95 | Very high | 90.3 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | trans | -71.7 | 136.6 | 177.4 | -175.9 | 179.3 | -169.1 | 0 | 0 | 110.5 | R296 F297 S300 R304 | R296-E302 CarbonylContact C-O 3.59Å; R296-E302 WeakPolarHBondContact CA-O 3.49Å; F297-E302 HydrophobicContact CD2-CB 4.39Å; F297-E302 PolarHBondContact N-O 3.02Å; S300-E302 PolarHBondContact O-N 2.89Å; S300-E302 WeakPolarHBondContact OG-CB 3.44Å; S300-E302 PolarHBondContact OG-N 2.73Å; E302-R304 HydrophobicContact CG-CG 4.39Å; E302-R304 IonicContact OE1-CZ 3.95Å; E302-R304 IonicContact OE1-NE 3.38Å; E302-R304 PolarHBondContact OE1-NE 2.84Å; E302-R304 IonicContact OE1-NH2 3.56Å; E302-R304 PolarHBondContact OE1-NH2 2.76Å | ||
| 303 | T | 94.1 | Very high | 90.9 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.4 | 176.8 | 54.5 | 0 | 0 | 0 | 0 | 111 | F294 I295 R296 | F294-T303 VanDerWaalsContact CZ-CB 3.47Å; F294-T303 HydrophobicContact CZ-CG2 3.96Å; I295-T303 CarbonylContact O-C 3.6Å; I295-T303 VanDerWaalsContact O-CA 3.24Å; I295-T303 WeakPolarHBondContact O-CA 3.39Å; R296-T303 HydrophobicContact CB-CG2 3.88Å; R296-T303 HydrophobicContact CG-CG2 3.81Å |
| 304 | R | 92.4 | Very high | 91.4 | Very high | 87 Ų | 87 | 48.2 Ų | 48.2 | 33% | 0.328 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 159.9 | 179.4 | -74.1 | -166.7 | -173.3 | -156.3 | 0.8 | 111.3 | H277 I295 E302 Y306 | H277-R304 PolarHBondContact ND1-NH1 2.72Å; I295-R304 PolarHBondContact N-O 2.83Å; I295-R304 PolarHBondContact O-N 2.65Å; E302-R304 HydrophobicContact CG-CG 4.39Å; E302-R304 IonicContact OE1-CZ 3.95Å; E302-R304 IonicContact OE1-NE 3.38Å; E302-R304 PolarHBondContact OE1-NE 2.84Å; E302-R304 IonicContact OE1-NH2 3.56Å; E302-R304 PolarHBondContact OE1-NH2 2.76Å; R304-Y306 HydrophobicContact CB-CD2 4.04Å; R304-Y306 HydrophobicContact CB-CE2 3.58Å; R304-Y306 HydrophobicContact CG-CE2 4.49Å |
| 305 | Y | 91.2 | Very high | 91.3 | Very high | 163 Ų | 163 | 48.3 Ų | 48.3 | 64% | 0.639 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138.1 | 167.3 | -69.4 | -82 | 0 | 0 | 0 | 110.4 | C292 T293 F294 | C292-Y305 HydrophobicContact CB-CD1 4.1Å; T293-Y305 WeakPolarHBondContact O-CA 3.3Å; F294-Y305 HydrophobicContact CB-CD1 3.97Å; F294-Y305 HydrophobicContact CB-CE1 3.7Å; F294-Y305 HydrophobicContact CD2-CD1 4.12Å; F294-Y305 HydrophobicContact CD2-CD2 4.17Å; F294-Y305 AromaticContact CD2-CE1 3.91Å; F294-Y305 HydrophobicContact CD2-CE1 3.91Å; F294-Y305 AromaticContact CD2-CE2 3.95Å; F294-Y305 HydrophobicContact CD2-CE2 3.95Å; F294-Y305 HydrophobicContact CD2-CG 4.25Å; F294-Y305 AromaticContact CD2-CZ 3.82Å; F294-Y305 HydrophobicContact CE2-CE2 4.32Å; F294-Y305 HydrophobicContact CG-CD1 4.5Å; F294-Y305 HydrophobicContact CG-CE1 4.1Å |
| 306 | Y | 87.8 | Confident | 91.2 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.8 | 176.3 | -82.6 | -93.7 | 0 | 0 | 0 | 111.9 | M275 N276 T293 I295 F297 R304 K310 | M275-Y306 WeakPolarHBondContact O-CE1 3.16Å; N276-Y306 WeakPolarHBondContact CA-OH 3.37Å; T293-Y306 PolarHBondContact N-O 3.17Å; T293-Y306 PolarHBondContact O-N 2.9Å; I295-Y306 HydrophobicContact CD1-CD2 3.29Å; I295-Y306 HydrophobicContact CD1-CE2 3.69Å; I295-Y306 HydrophobicContact CD1-CG 3.89Å; I295-Y306 HydrophobicContact CG1-CD2 3.58Å; I295-Y306 HydrophobicContact CG1-CE2 4.08Å; I295-Y306 HydrophobicContact CG1-CG 4.47Å; F297-Y306 AromaticContact CE2-CE2 3.69Å; F297-Y306 HydrophobicContact CE2-CE2 3.69Å; F297-Y306 AromaticContact CE2-CZ 4Å; F297-Y306 AromaticContact CZ-CE2 3.63Å; F297-Y306 HydrophobicContact CZ-CE2 3.63Å; F297-Y306 AromaticContact CZ-CZ 3.66Å; F297-Y306 WeakPolarHBondContact CZ-OH 3.4Å; R304-Y306 HydrophobicContact CB-CD2 4.04Å; R304-Y306 HydrophobicContact CB-CE2 3.58Å; R304-Y306 HydrophobicContact CG-CE2 4.49Å; Y306-K310 HydrophobicContact CD1-CB 4.03Å; Y306-K310 HydrophobicContact CD1-CD 4.07Å |
| 307 | D | 82.8 | Confident | 91.1 | Very high | 77 Ų | 77 | 55 Ų | 55 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | trans | -72.2 | 150.3 | 167 | -53.1 | -47.3 | 0 | 0 | 0 | 110 | D309 K310 | D307-D309 VanDerWaalsContact C-N 3.28Å; D307-D309 WeakPolarHBondContact CB-OD1 3.47Å; D307-D309 PolarHBondContact O-N 3.38Å; D307-K310 PolarHBondContact O-N 3.18Å; D307-K310 IonicContact OD2-NZ 3.6Å; D307-K310 PolarHBondContact OD2-NZ 3.15Å | ||
| 308 | W | 79.7 | Confident | 91 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 26% | 0.258 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -63.7 | -31.5 | -174.6 | -65.4 | 98.8 | 0 | 0 | 0 | 113.8 | F263 V266 R291 T293 K310 I311 | F263-W308 HydrophobicContact CD2-CD2 4.15Å; F263-W308 AromaticContact CD2-CE2 3.83Å; F263-W308 HydrophobicContact CD2-CE3 4.18Å; F263-W308 AromaticContact CD2-CH2 3.58Å; F263-W308 HydrophobicContact CD2-CH2 3.58Å; F263-W308 AromaticContact CD2-CZ2 3.58Å; F263-W308 HydrophobicContact CD2-CZ2 3.58Å; F263-W308 AromaticContact CD2-CZ3 3.88Å; F263-W308 HydrophobicContact CD2-CZ3 3.88Å; F263-W308 AromaticContact CE2-CE2 3.82Å; F263-W308 AromaticContact CE2-CH2 3.6Å; F263-W308 HydrophobicContact CE2-CH2 3.6Å; F263-W308 AromaticContact CE2-CZ2 3.3Å; F263-W308 HydrophobicContact CE2-CZ2 3.3Å; F263-W308 HydrophobicContact CE2-CZ3 4.37Å; V266-W308 HydrophobicContact CB-CH2 3.91Å; V266-W308 HydrophobicContact CB-CZ3 3.51Å; V266-W308 HydrophobicContact CG1-CH2 3.63Å; V266-W308 HydrophobicContact CG1-CZ3 3.43Å; V266-W308 VanDerWaalsContact CG1-CZ3 3.43Å; V266-W308 HydrophobicContact CG2-CE3 4.48Å; V266-W308 HydrophobicContact CG2-CZ3 3.66Å; R291-W308 PolarHBondContact O-NE1 2.93Å; T293-W308 HydrophobicContact CG2-CH2 4.47Å; T293-W308 WeakPolarHBondContact OG1-CH2 3.32Å; T293-W308 WeakPolarHBondContact OG1-CZ2 3.4Å; T293-W308 WeakPolarHBondContact OG1-CZ3 3.5Å; W308-K310 PolarHBondContact O-N 2.95Å; W308-I311 PolarHBondContact O-N 2.82Å; W308-I311 VanDerWaalsContact O-N 3.17Å |
| 309 | D | 79.8 | Confident | 90.9 | Very high | 122 Ų | 122 | 56 Ų | 56 | 65% | 0.652 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -64.7 | -18.7 | 178.4 | 65.1 | -39 | 0 | 0 | 0 | 113.3 | D307 | D307-D309 VanDerWaalsContact C-N 3.28Å; D307-D309 WeakPolarHBondContact CB-OD1 3.47Å; D307-D309 PolarHBondContact O-N 3.38Å |
| 310 | K | 86.4 | Confident | 90.6 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 33% | 0.33 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -97 | 6.3 | 178.9 | -65.2 | 168 | -170.1 | 149.7 | 0 | 113.3 | A274 M275 Y306 D307 W308 | A274-K310 VanDerWaalsContact CA-O 3.31Å; A274-K310 WeakPolarHBondContact CA-O 3.21Å; M275-K310 PolarHBondContact N-O 3.42Å; Y306-K310 HydrophobicContact CD1-CB 4.03Å; Y306-K310 HydrophobicContact CD1-CD 4.07Å; D307-K310 PolarHBondContact O-N 3.18Å; D307-K310 IonicContact OD2-NZ 3.6Å; D307-K310 PolarHBondContact OD2-NZ 3.15Å; W308-K310 PolarHBondContact O-N 2.95Å |
| 311 | I | 89 | Confident | 90.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.6 | -175.5 | -54.8 | 175.9 | 0 | 0 | 0 | 110.2 | I261 C272 C273 A274 T293 I295 W308 | I261-I311 HydrophobicContact CG2-CB 4.29Å; I261-I311 HydrophobicContact CG2-CG2 3.88Å; I261-I311 PolarHBondContact N-O 3.38Å; C272-I311 HydrophobicContact CB-CG2 3.7Å; C273-I311 WeakPolarHBondContact O-CA 3.34Å; A274-I311 HydrophobicContact CB-CG1 4.5Å; T293-I311 VanDerWaalsContact CB-CD1 3.48Å; T293-I311 HydrophobicContact CG2-CD1 3.84Å; I295-I311 HydrophobicContact CG2-CD1 4.08Å; W308-I311 PolarHBondContact O-N 2.82Å; W308-I311 VanDerWaalsContact O-N 3.17Å |
| 312 | K | 90.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 62 Ų | 62 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 157.8 | 178 | -63.5 | -177.7 | 173.2 | 172.6 | 0 | 111 | Y254 S257 C272 C273 W281 | Y254-K312 HydrophobicContact CD1-CB 4.18Å; Y254-K312 HydrophobicContact CD1-CD 3.56Å; Y254-K312 HydrophobicContact CE1-CB 3.96Å; Y254-K312 HydrophobicContact CE1-CD 4.14Å; Y254-K312 PolarHBondContact O-NZ 3.26Å; S257-K312 WeakPolarHBondContact O-CE 3.33Å; S257-K312 PolarHBondContact O-NZ 3.26Å; S257-K312 PolarHBondContact OG-NZ 3Å; C272-K312 CarbonylContact C-O 3.59Å; C272-K312 WeakPolarHBondContact CA-O 3.34Å; C272-K312 WeakPolarHBondContact CB-O 3.44Å; C273-K312 PolarHBondContact N-O 3.32Å; C273-K312 PolarHBondContact O-N 2.87Å; W281-K312 HydrophobicContact CH2-CD 3.5Å; W281-K312 VanDerWaalsContact CH2-CD 3.5Å; W281-K312 HydrophobicContact CH2-CG 3.91Å; W281-K312 HydrophobicContact CZ2-CD 4.01Å; W281-K312 HydrophobicContact CZ3-CD 3.77Å; W281-K312 HydrophobicContact CZ3-CG 3.92Å |
| 313 | L | 88.9 | Confident | 90.7 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 41% | 0.414 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 134.5 | 172.9 | -173 | 65.1 | 0 | 0 | 0 | 110 | Y254 I261 | Y254-L313 WeakPolarHBondContact CE1-O 3.43Å; Y254-L313 PolarHBondContact OH-O 3.35Å; I261-L313 HydrophobicContact CD1-CB 4.22Å; I261-L313 HydrophobicContact CD1-CD1 3.72Å; I261-L313 HydrophobicContact CG1-CB 4.31Å; I261-L313 HydrophobicContact CG1-CD1 4.38Å |
| 314 | L | 93 | Very high | 90.9 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 125.7 | 178.4 | -168.5 | 65.3 | 0 | 0 | 0 | 110.7 | Y197 L250 Y254 P271 C273 R283 F318 M319 | Y197-L314 HydrophobicContact CE1-CD2 3.53Å; Y197-L314 VanDerWaalsContact OH-CD2 3.23Å; Y197-L314 WeakPolarHBondContact OH-CD2 3.37Å; L250-L314 HydrophobicContact CD2-CD1 4.28Å; Y254-L314 HydrophobicContact CE2-CD1 4.4Å; Y254-L314 VanDerWaalsContact OH-CA 3.24Å; Y254-L314 WeakPolarHBondContact OH-CA 3.45Å; P271-L314 HydrophobicContact CB-CB 4.24Å; P271-L314 HydrophobicContact CB-CD2 4Å; C273-L314 HydrophobicContact CB-CD1 3.99Å; R283-L314 HydrophobicContact CG-CD1 4.23Å; R283-L314 HydrophobicContact CG-CD2 4.43Å; L314-F318 HydrophobicContact CD1-CB 3.71Å; L314-F318 HydrophobicContact CD1-CD2 4.23Å; L314-F318 HydrophobicContact CD1-CG 4.29Å; L314-F318 HydrophobicContact CD2-CB 4.34Å; L314-F318 HydrophobicContact CG-CB 4.01Å; L314-M319 HydrophobicContact CD2-CG 3.64Å; L314-M319 HydrophobicContact CD2-SD 4.43Å; L314-M319 HydrophobicContact CG-CG 4.19Å |
| 315 | D | 91.7 | Very high | 91.2 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 32% | 0.316 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 141 | 174 | -170.5 | -70.3 | 0 | 0 | 0 | 110.1 | W253 Y254 A317 F318 | W253-D315 WeakPolarHBondContact CZ2-OD2 3.37Å; Y254-D315 PolarHBondContact OH-N 2.63Å; D315-A317 PolarHBondContact O-N 3.22Å; D315-A317 VanDerWaalsContact O-N 3.16Å; D315-A317 WeakPolarHBondContact OD1-CB 3.35Å; D315-A317 PolarHBondContact OD1-N 3.04Å; D315-F318 HydrophobicContact CB-CD2 3.75Å; D315-F318 HydrophobicContact CB-CE2 4.05Å; D315-F318 PolarHBondContact O-N 2.93Å |
| 316 | K | 91.7 | Very high | 91.5 | Very high | 142 Ų | 142 | 45.5 Ų | 45.5 | 62% | 0.617 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -56.9 | -31.9 | -177.7 | -65.8 | -177.6 | 179 | 178.9 | 0 | 112.9 | F318 M319 | K316-F318 PolarHBondContact O-N 2.78Å; K316-M319 HydrophobicContact CB-CE 4.05Å; K316-M319 HydrophobicContact CG-CE 3.65Å; K316-M319 WeakPolarHBondContact O-CB 3.49Å; K316-M319 PolarHBondContact O-N 3.44Å |
| 317 | A | 93.3 | Very high | 92 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -61.1 | -30.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D315 M319 | D315-A317 PolarHBondContact O-N 3.22Å; D315-A317 VanDerWaalsContact O-N 3.16Å; D315-A317 WeakPolarHBondContact OD1-CB 3.35Å; D315-A317 PolarHBondContact OD1-N 3.04Å; A317-M319 VanDerWaalsContact C-N 3.28Å; A317-M319 PolarHBondContact O-N 2.85Å |
| 318 | F | 95.4 | Very high | 92.7 | Very high | 18 Ų | 18 | 45 Ų | 45 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -82.8 | -2.9 | 177.4 | -61.4 | -66 | 0 | 0 | 0 | 113.6 | L246 K249 L250 W253 Y254 R283 L314 D315 K316 | L246-F318 HydrophobicContact CD1-CD1 3.83Å; K249-F318 HydrophobicContact CB-CE1 3.79Å; K249-F318 HydrophobicContact CB-CZ 4.42Å; L250-F318 HydrophobicContact CD2-CB 4.31Å; L250-F318 HydrophobicContact CD2-CD1 3.64Å; L250-F318 HydrophobicContact CD2-CD2 3.88Å; L250-F318 HydrophobicContact CD2-CE1 3.84Å; L250-F318 HydrophobicContact CD2-CE2 4.11Å; L250-F318 HydrophobicContact CD2-CG 3.67Å; L250-F318 HydrophobicContact CD2-CZ 4.08Å; L250-F318 HydrophobicContact CG-CD1 4.08Å; L250-F318 HydrophobicContact CG-CE1 4.08Å; W253-F318 HydrophobicContact CB-CE2 3.95Å; W253-F318 HydrophobicContact CB-CZ 3.73Å; W253-F318 AromaticContact CD1-CE2 3.68Å; W253-F318 HydrophobicContact CD2-CE2 4.25Å; W253-F318 HydrophobicContact CD2-CZ 4.49Å; W253-F318 AromaticContact CG-CE2 3.68Å; W253-F318 HydrophobicContact CG-CE2 3.68Å; W253-F318 AromaticContact CG-CZ 3.91Å; W253-F318 HydrophobicContact CG-CZ 3.91Å; Y254-F318 HydrophobicContact CD2-CE2 4.48Å; Y254-F318 AromaticContact CE2-CD2 3.95Å; Y254-F318 HydrophobicContact CE2-CD2 3.95Å; Y254-F318 AromaticContact CE2-CE2 3.78Å; Y254-F318 HydrophobicContact CE2-CE2 3.78Å; R283-F318 WeakPolarHBondContact CD-O 3.29Å; R283-F318 PolarHBondContact NH1-O 3.4Å; L314-F318 HydrophobicContact CD1-CB 3.71Å; L314-F318 HydrophobicContact CD1-CD2 4.23Å; L314-F318 HydrophobicContact CD1-CG 4.29Å; L314-F318 HydrophobicContact CD2-CB 4.34Å; L314-F318 HydrophobicContact CG-CB 4.01Å; D315-F318 HydrophobicContact CB-CD2 3.75Å; D315-F318 HydrophobicContact CB-CE2 4.05Å; D315-F318 PolarHBondContact O-N 2.93Å; K316-F318 PolarHBondContact O-N 2.78Å |
| 319 | M | 94.6 | Very high | 93.5 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -95.6 | -10.3 | 176.7 | -62.8 | -167.4 | -81 | 0 | 0 | 113.3 | A195 Y197 R198 P271 L314 K316 A317 L321 | A195-M319 HydrophobicContact CB-CE 4.07Å; Y197-M319 HydrophobicContact CD1-CB 4.37Å; Y197-M319 HydrophobicContact CD1-CG 4.23Å; Y197-M319 HydrophobicContact CE1-CG 4.29Å; R198-M319 PolarHBondContact N-O 3.22Å; P271-M319 HydrophobicContact CB-CG 4.45Å; P271-M319 HydrophobicContact CB-SD 3.63Å; P271-M319 HydrophobicContact CG-SD 3.69Å; L314-M319 HydrophobicContact CD2-CG 3.64Å; L314-M319 HydrophobicContact CD2-SD 4.43Å; L314-M319 HydrophobicContact CG-CG 4.19Å; K316-M319 HydrophobicContact CB-CE 4.05Å; K316-M319 HydrophobicContact CG-CE 3.65Å; K316-M319 WeakPolarHBondContact O-CB 3.49Å; K316-M319 PolarHBondContact O-N 3.44Å; A317-M319 VanDerWaalsContact C-N 3.28Å; A317-M319 PolarHBondContact O-N 2.85Å; M319-L321 VanDerWaalsContact C-N 3.3Å; M319-L321 PolarHBondContact O-N 3.49Å |
| 320 | E | 93.3 | Very high | 94.3 | Very high | 138 Ų | 138 | 39 Ų | 39 | 65% | 0.645 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -68.1 | -27.8 | 178.8 | -64.5 | -173.1 | 169.8 | 0 | 0 | 113.5 | R198 | R198-E320 WeakPolarHBondContact CD-O 3.29Å; R198-E320 PolarHBondContact NH1-O 2.98Å |
| 321 | L | 95.6 | Very high | 94.7 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -86.8 | 129.9 | 168.7 | -171.1 | 66.3 | 0 | 0 | 0 | 108.1 | L208 L242 L246 R283 M319 L324 | L208-L321 HydrophobicContact CD2-CD1 4.28Å; L242-L321 HydrophobicContact CB-CD2 4.49Å; L242-L321 HydrophobicContact CD1-CD1 4.37Å; L246-L321 HydrophobicContact CB-CD2 4.47Å; L246-L321 HydrophobicContact CD2-CD2 4.19Å; R283-L321 PolarHBondContact NH1-O 3Å; M319-L321 VanDerWaalsContact C-N 3.3Å; M319-L321 PolarHBondContact O-N 3.49Å; L321-L324 HydrophobicContact CD1-CD2 4.44Å; L321-L324 HydrophobicContact CD2-CD1 4.18Å; L321-L324 HydrophobicContact CD2-CD2 4.12Å; L321-L324 HydrophobicContact CD2-CG 4.35Å; L321-L324 HydrophobicContact CG-CD2 4.19Å |
| 322 | P | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -62 | 161 | 172.4 | -20.8 | 32.1 | 0 | 0 | 0 | 111.4 | R198 K199 Q200 F203 L208 R283 L324 | R198-P322 HydrophobicContact CB-CG 4.01Å; R198-P322 HydrophobicContact CG-CG 4.01Å; R198-P322 WeakPolarHBondContact O-CA 3.32Å; R198-P322 VanDerWaalsContact O-CB 3.32Å; R198-P322 WeakPolarHBondContact O-CB 3.39Å; K199-P322 VanDerWaalsContact O-CG 3.3Å; K199-P322 WeakPolarHBondContact O-CG 3.47Å; Q200-P322 HydrophobicContact CG-CB 3.85Å; F203-P322 HydrophobicContact CE2-CB 3.94Å; F203-P322 HydrophobicContact CE2-CG 3.94Å; F203-P322 HydrophobicContact CZ-CG 4.5Å; L208-P322 HydrophobicContact CD2-CG 3.5Å; L208-P322 VanDerWaalsContact CD2-CG 3.5Å; R283-P322 PolarHBondContact NH2-O 2.85Å; P322-L324 PolarHBondContact O-N 2.68Å | ||
| 323 | P | 97.4 | Very high | 94.3 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | trans | -45.8 | 135.8 | 163.2 | -33.7 | 41.7 | 0 | 0 | 0 | 111.1 | Y197 Q200 V298 | Y197-P323 HydrophobicContact CD1-CG 4.39Å; Y197-P323 HydrophobicContact CD2-CG 4.38Å; Y197-P323 HydrophobicContact CG-CG 4.05Å; Q200-P323 HydrophobicContact CG-CB 4.38Å; Q200-P323 WeakPolarHBondContact CG-O 3.29Å; Q200-P323 PolarHBondContact NE2-O 3.4Å; V298-P323 HydrophobicContact CB-CB 3.88Å; V298-P323 HydrophobicContact CB-CG 4.05Å; V298-P323 HydrophobicContact CG2-CB 4.38Å; V298-P323 HydrophobicContact CG2-CG 4.42Å; V298-P323 WeakPolarHBondContact O-CB 2.94Å | ||
| 324 | L | 97.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -91.9 | -16.8 | -178.8 | -61.4 | -177.5 | 0 | 0 | 0 | 113.3 | F203 C239 L243 V298 D299 L321 P322 | F203-L324 HydrophobicContact CE2-CD2 4.34Å; F203-L324 HydrophobicContact CZ-CD2 3.93Å; C239-L324 HydrophobicContact CB-CD2 4.3Å; L243-L324 HydrophobicContact CB-CD1 3.68Å; L243-L324 HydrophobicContact CD1-CD1 4.07Å; L243-L324 HydrophobicContact CG-CD1 4.42Å; V298-L324 PolarHBondContact O-N 3.15Å; D299-L324 HydrophobicContact CB-CB 4.28Å; D299-L324 WeakPolarHBondContact OD1-CB 3.4Å; D299-L324 WeakPolarHBondContact OD1-CG 3.16Å; D299-L324 PolarHBondContact OD1-N 3.2Å; L321-L324 HydrophobicContact CD1-CD2 4.44Å; L321-L324 HydrophobicContact CD2-CD1 4.18Å; L321-L324 HydrophobicContact CD2-CD2 4.12Å; L321-L324 HydrophobicContact CD2-CG 4.35Å; L321-L324 HydrophobicContact CG-CD2 4.19Å; P322-L324 PolarHBondContact O-N 2.68Å |
| 325 | A | 98.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 118.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q200 H233 V234 V235 V298 G301 | Q200-A325 PolarHBondContact NE2-O 2.68Å; H233-A325 HydrophobicContact CB-CB 4.26Å; V234-A325 WeakPolarHBondContact O-CA 3.13Å; V235-A325 HydrophobicContact CG2-CB 4.42Å; V298-A325 VanDerWaalsContact O-CB 3.29Å; V298-A325 WeakPolarHBondContact O-CB 3.24Å; V298-A325 PolarHBondContact O-N 2.95Å; V298-A325 VanDerWaalsContact O-N 3.07Å; G301-A325 VanDerWaalsContact N-CB 3.31Å |
| 326 | I | 97.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.7 | 176.9 | -57.1 | -71.4 | 0 | 0 | 0 | 108.2 | Q200 F204 H233 V234 F236 L369 | Q200-I326 HydrophobicContact CB-CD1 4.04Å; Q200-I326 HydrophobicContact CG-CD1 4.13Å; Q200-I326 VanDerWaalsContact NE2-CD1 3.31Å; F204-I326 HydrophobicContact CE2-CD1 3.99Å; F204-I326 HydrophobicContact CZ-CD1 4.13Å; F204-I326 HydrophobicContact CZ-CG2 4.4Å; H233-I326 CarbonylContact C-O 3.51Å; H233-I326 VanDerWaalsContact CA-O 3.27Å; H233-I326 WeakPolarHBondContact CA-O 3.49Å; V234-I326 HydrophobicContact CG2-CB 4.25Å; V234-I326 PolarHBondContact N-O 3.44Å; V234-I326 PolarHBondContact O-N 3.26Å; F236-I326 HydrophobicContact CD2-CG1 4.08Å; F236-I326 HydrophobicContact CE2-CB 4.34Å; F236-I326 HydrophobicContact CE2-CG1 3.95Å; I326-L369 HydrophobicContact CG2-CB 3.8Å; I326-L369 HydrophobicContact CG2-CD2 4.1Å |
| 327 | R | 97.9 | Very high | 92.1 | Very high | 85 Ų | 85 | 45.4 Ų | 45.4 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 131.6 | 173.2 | -174.1 | 173.2 | 65.6 | 164.1 | 4.7 | 109.4 | F232 D366 L369 | F232-R327 CarbonylContact O-C 3.56Å; F232-R327 WeakPolarHBondContact O-CA 3.33Å; R327-D366 PolarHBondContact NH2-O 3.03Å; R327-D366 VanDerWaalsContact NH2-O 3.1Å; R327-L369 PolarHBondContact O-N 2.96Å |
| 328 | C | 98.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155 | -173.5 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | F232 V234 L369 V371 | F232-C328 HydrophobicContact CD1-CB 4.05Å; F232-C328 WeakPolarHBondContact CD1-O 3.47Å; F232-C328 HydrophobicContact CD2-CB 4.02Å; F232-C328 HydrophobicContact CE1-CB 3.58Å; F232-C328 HydrophobicContact CE2-CB 3.59Å; F232-C328 HydrophobicContact CG-CB 4.25Å; F232-C328 HydrophobicContact CZ-CB 3.35Å; F232-C328 PolarHBondContact N-O 2.78Å; F232-C328 PolarHBondContact O-N 2.8Å; V234-C328 VanDerWaalsContact CG2-SG 3.56Å; C328-L369 WeakPolarHBondContact CA-O 3.35Å; C328-V371 HydrophobicContact CB-CG2 4.23Å |
| 329 | Q | 96.7 | Very high | 91 | Very high | 62 Ų | 62 | 50 Ų | 50 | 29% | 0.29 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.1 | 164.5 | 70.5 | -179.6 | 28.2 | 0 | 0 | 109.4 | L230 I368 L369 S370 V371 | L230-Q329 WeakPolarHBondContact O-CB 3.44Å; Q329-I368 HydrophobicContact CB-CG2 3.97Å; Q329-I368 HydrophobicContact CG-CG2 3.72Å; Q329-L369 PolarHBondContact N-O 3.27Å; Q329-S370 PolarHBondContact NE2-OG 3.39Å; Q329-S370 WeakPolarHBondContact O-CA 3.07Å; Q329-V371 PolarHBondContact O-N 2.98Å |
| 330 | I | 96.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 129.9 | 176.3 | -63.1 | -172.5 | 0 | 0 | 0 | 109.6 | W226 P229 F232 G332 S333 F346 V371 L373 F382 | W226-I330 HydrophobicContact CH2-CD1 4.05Å; P229-I330 HydrophobicContact CB-CB 4.35Å; P229-I330 HydrophobicContact CB-CD1 4.09Å; P229-I330 HydrophobicContact CB-CG1 4.36Å; P229-I330 PolarHBondContact O-N 2.88Å; F232-I330 HydrophobicContact CE1-CD1 4.43Å; F232-I330 HydrophobicContact CE1-CG1 3.63Å; F232-I330 HydrophobicContact CZ-CG1 3.98Å; I330-G332 PolarHBondContact O-N 3.08Å; I330-S333 WeakPolarHBondContact O-CB 3.29Å; I330-S333 PolarHBondContact O-N 3.32Å; I330-S333 PolarHBondContact O-OG 3.2Å; I330-F346 HydrophobicContact CD1-CE1 3.68Å; I330-F346 HydrophobicContact CD1-CZ 3.45Å; I330-F346 VanDerWaalsContact CD1-CZ 3.45Å; I330-V371 CarbonylContact C-O 3.57Å; I330-V371 VanDerWaalsContact CA-O 3.31Å; I330-V371 WeakPolarHBondContact CA-O 3.29Å; I330-L373 HydrophobicContact CD1-CB 4.21Å; I330-L373 HydrophobicContact CD1-CD2 4.17Å; I330-F382 HydrophobicContact CG2-CB 3.84Å; I330-F382 HydrophobicContact CG2-CD2 3.63Å; I330-F382 HydrophobicContact CG2-CE2 4.34Å; I330-F382 HydrophobicContact CG2-CG 3.77Å |
| 331 | I | 93.8 | Very high | 90.4 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 129.1 | 177.2 | -61.6 | 171.2 | 0 | 0 | 0 | 109.8 | S333 V371 | I331-S333 VanDerWaalsContact C-N 3.28Å; I331-S333 PolarHBondContact O-N 2.78Å; I331-V371 PolarHBondContact N-O 3.49Å |
| 332 | G | 85.8 | Confident | 90.1 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 56% | 0.557 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -0.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | I330 | I330-G332 PolarHBondContact O-N 3.08Š|
| 333 | S | 87.2 | Confident | 89.9 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | trans | -71.9 | 139.5 | 169.9 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | L230 I330 I331 | L230-S333 VanDerWaalsContact CD2-OG 3.3Å; L230-S333 WeakPolarHBondContact CD2-OG 3.24Å; I330-S333 WeakPolarHBondContact O-CB 3.29Å; I330-S333 PolarHBondContact O-N 3.32Å; I330-S333 PolarHBondContact O-OG 3.2Å; I331-S333 VanDerWaalsContact C-N 3.28Å; I331-S333 PolarHBondContact O-N 2.78Å | ||
| 334 | D | 84 | Confident | 89.7 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | trans | -137.3 | 149.9 | 175.8 | 73 | 69.1 | 0 | 0 | 0 | 110.4 | N336 T337 F338 | D334-N336 PolarHBondContact O-N 2.89Å; D334-N336 VanDerWaalsContact O-N 3.14Å; D334-N336 WeakPolarHBondContact OD1-CA 3.04Å; D334-N336 VanDerWaalsContact OD1-CB 3.24Å; D334-N336 WeakPolarHBondContact OD1-CB 3.21Å; D334-N336 PolarHBondContact OD1-N 2.63Å; D334-T337 VanDerWaalsContact CG-CG2 3.48Å; D334-T337 PolarHBondContact O-N 3.17Å; D334-T337 VanDerWaalsContact O-N 3.11Å; D334-T337 PolarHBondContact O-OG1 3.08Å; D334-T337 WeakPolarHBondContact OD1-CG2 3.34Å; D334-T337 PolarHBondContact OD1-N 3.13Å; D334-T337 WeakPolarHBondContact OD2-CG2 3.33Å; D334-F338 WeakPolarHBondContact O-CD1 3.13Å; D334-F338 WeakPolarHBondContact O-CE1 3.23Å | ||
| 335 | R | 82 | Confident | 89.4 | Confident | 205 Ų | 205 | 62.4 Ų | 62.4 | 77% | 0.774 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -61.8 | -23.6 | -178 | -69 | -175 | 178.2 | 177.8 | -1.1 | 112.9 | L230 T337 F338 | L230-R335 HydrophobicContact CD1-CB 4.43Å; L230-R335 HydrophobicContact CD1-CG 3.37Å; R335-T337 PolarHBondContact O-N 3.05Å; R335-F338 WeakPolarHBondContact O-CB 3.44Å; R335-F338 PolarHBondContact O-N 2.84Å |
| 336 | N | 78.2 | Confident | 89.2 | Confident | 134 Ų | 134 | 62 Ų | 62 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -82 | -0.4 | -178.7 | -56.8 | -20.2 | 0 | 0 | 0 | 112.7 | D334 R393 | D334-N336 PolarHBondContact O-N 2.89Å; D334-N336 VanDerWaalsContact O-N 3.14Å; D334-N336 WeakPolarHBondContact OD1-CA 3.04Å; D334-N336 VanDerWaalsContact OD1-CB 3.24Å; D334-N336 WeakPolarHBondContact OD1-CB 3.21Å; D334-N336 PolarHBondContact OD1-N 2.63Å; N336-R393 PolarHBondContact O-NH2 3.41Å |
| 337 | T | 75.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -99.5 | -3.7 | 173.8 | 58 | 0 | 0 | 0 | 0 | 113.1 | D334 R335 Y339 F386 F390 | D334-T337 VanDerWaalsContact CG-CG2 3.48Å; D334-T337 PolarHBondContact O-N 3.17Å; D334-T337 VanDerWaalsContact O-N 3.11Å; D334-T337 PolarHBondContact O-OG1 3.08Å; D334-T337 WeakPolarHBondContact OD1-CG2 3.34Å; D334-T337 PolarHBondContact OD1-N 3.13Å; D334-T337 WeakPolarHBondContact OD2-CG2 3.33Å; R335-T337 PolarHBondContact O-N 3.05Å; T337-Y339 VanDerWaalsContact C-N 3.29Å; T337-Y339 VanDerWaalsContact O-CD2 3.31Å; T337-Y339 WeakPolarHBondContact O-CD2 3.21Å; T337-Y339 PolarHBondContact O-N 3.4Å; T337-F386 WeakPolarHBondContact O-CE1 3.39Å; T337-F390 HydrophobicContact CG2-CE1 3.46Å; T337-F390 VanDerWaalsContact CG2-CE1 3.46Å; T337-F390 HydrophobicContact CG2-CZ 3.6Å |
| 338 | F | 81.2 | Confident | 88.8 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 23% | 0.228 | 35% | 0.35 | C | S | . | . | trans | -81.3 | 64.7 | -167.7 | -74.9 | 2.2 | 0 | 0 | 0 | 113.8 | P229 L230 D334 R335 R340 L343 F386 | P229-F338 HydrophobicContact CB-CE1 3.98Å; P229-F338 HydrophobicContact CB-CZ 4.05Å; P229-F338 HydrophobicContact CG-CE1 3.86Å; P229-F338 HydrophobicContact CG-CZ 4.14Å; L230-F338 HydrophobicContact CB-CE2 4.45Å; L230-F338 HydrophobicContact CB-CZ 4.17Å; L230-F338 HydrophobicContact CD1-CE2 3.62Å; L230-F338 HydrophobicContact CD1-CZ 3.59Å; L230-F338 HydrophobicContact CG-CE2 4.1Å; L230-F338 HydrophobicContact CG-CZ 3.62Å; D334-F338 WeakPolarHBondContact O-CD1 3.13Å; D334-F338 WeakPolarHBondContact O-CE1 3.23Å; R335-F338 WeakPolarHBondContact O-CB 3.44Å; R335-F338 PolarHBondContact O-N 2.84Å; F338-R340 PolarHBondContact O-N 3.44Å; F338-L343 HydrophobicContact CB-CD1 3.65Å; F338-L343 HydrophobicContact CB-CG 4.3Å; F338-L343 HydrophobicContact CD1-CD2 3.98Å; F338-L343 HydrophobicContact CD2-CD1 4.33Å; F338-L343 HydrophobicContact CE1-CD2 4.33Å; F338-L343 HydrophobicContact CG-CD1 3.95Å; F338-L343 HydrophobicContact CG-CD2 4.21Å; F338-L343 HydrophobicContact CG-CG 4.47Å; F338-F386 HydrophobicContact CD1-CZ 4.49Å | ||
| 339 | Y | 83.9 | Confident | 88.6 | Confident | 119 Ų | 119 | 71.8 Ų | 71.8 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | trans | -69.9 | 125.2 | 168.7 | -64 | -84 | 0 | 0 | 0 | 110.2 | T337 A341 I342 L343 L389 | T337-Y339 VanDerWaalsContact C-N 3.29Å; T337-Y339 VanDerWaalsContact O-CD2 3.31Å; T337-Y339 WeakPolarHBondContact O-CD2 3.21Å; T337-Y339 PolarHBondContact O-N 3.4Å; Y339-A341 VanDerWaalsContact C-N 3.32Å; Y339-A341 PolarHBondContact O-N 3.22Å; Y339-I342 HydrophobicContact CD2-CD1 4.34Å; Y339-I342 PolarHBondContact O-N 2.83Å; Y339-L343 PolarHBondContact O-N 3.45Å; Y339-L389 HydrophobicContact CD2-CD1 3.72Å; Y339-L389 HydrophobicContact CD2-CD2 3.53Å; Y339-L389 HydrophobicContact CD2-CG 4.26Å; Y339-L389 HydrophobicContact CE2-CD1 3.41Å; Y339-L389 VanDerWaalsContact CE2-CD1 3.41Å; Y339-L389 HydrophobicContact CE2-CD2 3.57Å; Y339-L389 HydrophobicContact CE2-CG 4.05Å | ||
| 340 | R | 86.9 | Confident | 88.5 | Confident | 186 Ų | 186 | 68.8 Ų | 68.8 | 70% | 0.702 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -49.9 | -47.7 | -174.5 | -175.9 | 173.5 | 178 | 171.8 | 1.2 | 113.3 | F338 I342 L343 D344 | F338-R340 PolarHBondContact O-N 3.44Å; R340-I342 VanDerWaalsContact C-N 3.31Å; R340-I342 PolarHBondContact O-N 2.88Å; R340-L343 PolarHBondContact O-N 2.84Å; R340-L343 VanDerWaalsContact O-N 3.16Å; R340-D344 VanDerWaalsContact O-CG 3.29Å; R340-D344 PolarHBondContact O-N 3.43Å |
| 341 | A | 88.2 | Confident | 88.5 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 65% | 0.645 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.4 | -38.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y339 A345 | Y339-A341 VanDerWaalsContact C-N 3.32Å; Y339-A341 PolarHBondContact O-N 3.22Å; A341-A345 PolarHBondContact O-N 2.91Å |
| 342 | I | 90 | Very high | 88.5 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 18% | 0.179 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.9 | -42.2 | 177.2 | -58.3 | 178 | 0 | 0 | 0 | 109.8 | Y339 R340 D344 A345 F346 H385 F386 L389 | Y339-I342 HydrophobicContact CD2-CD1 4.34Å; Y339-I342 PolarHBondContact O-N 2.83Å; R340-I342 VanDerWaalsContact C-N 3.31Å; R340-I342 PolarHBondContact O-N 2.88Å; I342-D344 VanDerWaalsContact C-N 3.35Å; I342-D344 PolarHBondContact O-N 2.88Å; I342-A345 PolarHBondContact O-N 3.18Å; I342-F346 WeakPolarHBondContact O-CB 3.47Å; I342-F346 PolarHBondContact O-N 2.87Å; I342-H385 HydrophobicContact CG2-CB 3.91Å; I342-H385 WeakPolarHBondContact CG2-O 3.35Å; I342-F386 HydrophobicContact CB-CE1 4.4Å; I342-F386 HydrophobicContact CG2-CD1 3.86Å; I342-F386 HydrophobicContact CG2-CD2 4.43Å; I342-F386 HydrophobicContact CG2-CE1 3.68Å; I342-F386 HydrophobicContact CG2-CE2 4.3Å; I342-F386 HydrophobicContact CG2-CG 4.24Å; I342-F386 HydrophobicContact CG2-CZ 3.92Å; I342-L389 HydrophobicContact CD1-CB 4.08Å; I342-L389 HydrophobicContact CD1-CD1 4.44Å; I342-L389 HydrophobicContact CD1-CD2 4.08Å; I342-L389 HydrophobicContact CD1-CG 4.43Å |
| 343 | L | 92.1 | Very high | 88.9 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 176.8 | -73 | -178.9 | 0 | 0 | 0 | 112.7 | P229 F338 Y339 R340 F346 R347 F386 | P229-L343 HydrophobicContact CG-CD2 3.91Å; F338-L343 HydrophobicContact CB-CD1 3.65Å; F338-L343 HydrophobicContact CB-CG 4.3Å; F338-L343 HydrophobicContact CD1-CD2 3.98Å; F338-L343 HydrophobicContact CD2-CD1 4.33Å; F338-L343 HydrophobicContact CE1-CD2 4.33Å; F338-L343 HydrophobicContact CG-CD1 3.95Å; F338-L343 HydrophobicContact CG-CD2 4.21Å; F338-L343 HydrophobicContact CG-CG 4.47Å; Y339-L343 PolarHBondContact O-N 3.45Å; R340-L343 PolarHBondContact O-N 2.84Å; R340-L343 VanDerWaalsContact O-N 3.16Å; L343-F346 PolarHBondContact O-N 2.87Å; L343-R347 VanDerWaalsContact O-CB 3.22Å; L343-R347 WeakPolarHBondContact O-CB 3.42Å; L343-R347 PolarHBondContact O-N 3.07Å; L343-F386 HydrophobicContact CD2-CZ 4.07Å |
| 344 | D | 92 | Very high | 89.4 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 45% | 0.449 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 178 | -70.8 | -25 | 0 | 0 | 0 | 111.1 | R340 I342 R347 H348 | R340-D344 VanDerWaalsContact O-CG 3.29Å; R340-D344 PolarHBondContact O-N 3.43Å; I342-D344 VanDerWaalsContact C-N 3.35Å; I342-D344 PolarHBondContact O-N 2.88Å; D344-R347 PolarHBondContact O-N 3.16Å; D344-H348 PolarHBondContact O-N 2.68Å |
| 345 | A | 92.3 | Very high | 90 | Very high | 45 Ų | 45 | 81.4 Ų | 81.4 | 37% | 0.372 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A341 I342 H348 D349 | A341-A345 PolarHBondContact O-N 2.91Å; I342-A345 PolarHBondContact O-N 3.18Å; A345-H348 WeakPolarHBondContact O-CB 3.36Å; A345-H348 PolarHBondContact O-N 3.35Å; A345-D349 PolarHBondContact O-N 2.83Å |
| 346 | F | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69 | -38.9 | 179.4 | -163.3 | -174.9 | 0 | 0 | 0 | 112.2 | W226 P229 I330 I342 L343 H348 D349 C350 L373 L381 F382 H385 F386 | W226-F346 HydrophobicContact CH2-CD1 4.29Å; W226-F346 HydrophobicContact CH2-CD2 4.23Å; W226-F346 AromaticContact CH2-CE1 3.97Å; W226-F346 HydrophobicContact CH2-CE1 3.97Å; W226-F346 AromaticContact CH2-CE2 3.87Å; W226-F346 HydrophobicContact CH2-CE2 3.87Å; W226-F346 HydrophobicContact CH2-CG 4.45Å; W226-F346 AromaticContact CH2-CZ 3.77Å; W226-F346 HydrophobicContact CH2-CZ 3.77Å; W226-F346 AromaticContact CZ2-CD1 3.9Å; W226-F346 HydrophobicContact CZ2-CD1 3.9Å; W226-F346 HydrophobicContact CZ2-CD2 4.1Å; W226-F346 HydrophobicContact CZ2-CE1 4.04Å; W226-F346 HydrophobicContact CZ2-CE2 4.2Å; W226-F346 AromaticContact CZ2-CG 3.96Å; W226-F346 HydrophobicContact CZ2-CG 3.96Å; W226-F346 HydrophobicContact CZ2-CZ 4.2Å; P229-F346 HydrophobicContact CB-CE1 4.32Å; P229-F346 HydrophobicContact CG-CD1 3.76Å; P229-F346 HydrophobicContact CG-CE1 3.76Å; I330-F346 HydrophobicContact CD1-CE1 3.68Å; I330-F346 HydrophobicContact CD1-CZ 3.45Å; I330-F346 VanDerWaalsContact CD1-CZ 3.45Å; I342-F346 WeakPolarHBondContact O-CB 3.47Å; I342-F346 PolarHBondContact O-N 2.87Å; L343-F346 PolarHBondContact O-N 2.87Å; F346-H348 VanDerWaalsContact C-N 3.26Å; F346-H348 PolarHBondContact O-N 3.27Å; F346-D349 CarbonylContact O-C 3.59Å; F346-D349 PolarHBondContact O-N 2.62Å; F346-D349 VanDerWaalsContact O-N 3.15Å; F346-C350 VanDerWaalsContact CD2-SG 3.58Å; F346-C350 WeakPolarHBondContact CE2-SG 3.42Å; F346-C350 PolarHBondContact O-N 3.22Å; F346-L373 HydrophobicContact CE2-CD2 4.42Å; F346-L373 HydrophobicContact CZ-CD2 4.46Å; F346-L381 HydrophobicContact CE2-CB 3.66Å; F346-L381 HydrophobicContact CE2-CD1 4.39Å; F346-L381 HydrophobicContact CZ-CB 4.08Å; F346-F382 HydrophobicContact CE1-CD2 4.45Å; F346-H385 HydrophobicContact CB-CB 4.29Å; F346-H385 HydrophobicContact CD1-CB 4.42Å; F346-H385 AromaticContact CD2-CD2 3.24Å; F346-H385 WeakPolarHBondContact CD2-CD2 3.46Å; F346-H385 AromaticContact CD2-NE2 3.69Å; F346-H385 AromaticContact CE2-CD2 3.82Å; F346-H385 HydrophobicContact CG-CB 4.26Å; F346-H385 AromaticContact CG-CD2 3.56Å; F346-H385 AromaticContact CG-CG 3.91Å; F346-F386 HydrophobicContact CD1-CD2 4.43Å; F346-F386 AromaticContact CD1-CE2 3.52Å; F346-F386 HydrophobicContact CD1-CE2 3.52Å; F346-F386 HydrophobicContact CD1-CZ 4.24Å; F346-F386 HydrophobicContact CE1-CD2 4.41Å; F346-F386 AromaticContact CE1-CE2 3.72Å; F346-F386 HydrophobicContact CE1-CE2 3.72Å |
| 347 | R | 94.6 | Very high | 91.8 | Very high | 151 Ų | 151 | 68.7 Ų | 68.7 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.1 | -36.9 | 172.8 | -178.7 | 175.6 | -174.3 | -178.8 | 1.1 | 111.4 | L343 D344 C350 K351 | L343-R347 VanDerWaalsContact O-CB 3.22Å; L343-R347 WeakPolarHBondContact O-CB 3.42Å; L343-R347 PolarHBondContact O-N 3.07Å; D344-R347 PolarHBondContact O-N 3.16Å; R347-C350 CarbonylContact O-C 3.57Å; R347-C350 VanDerWaalsContact O-C 3.32Å; R347-C350 PolarHBondContact O-N 3.29Å; R347-K351 WeakPolarHBondContact O-CG 3.25Å; R347-K351 PolarHBondContact O-N 2.82Å |
| 348 | H | 92.7 | Very high | 92.9 | Very high | 113 Ų | 113 | 68.7 Ų | 68.7 | 52% | 0.523 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 174.9 | -172.2 | 94.6 | 0 | 0 | 0 | 112 | D344 A345 F346 C350 | D344-H348 PolarHBondContact O-N 2.68Å; A345-H348 WeakPolarHBondContact O-CB 3.36Å; A345-H348 PolarHBondContact O-N 3.35Å; F346-H348 VanDerWaalsContact C-N 3.26Å; F346-H348 PolarHBondContact O-N 3.27Å; H348-C350 VanDerWaalsContact C-N 3.27Å; H348-C350 PolarHBondContact O-N 3.45Å |
| 349 | D | 93 | Very high | 93.7 | Very high | 29 Ų | 29 | 68.9 Ų | 68.9 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.9 | -25 | 174.3 | -83.5 | -9.3 | 0 | 0 | 0 | 112.5 | A345 F346 R356 K384 H385 | A345-D349 PolarHBondContact O-N 2.83Å; F346-D349 CarbonylContact O-C 3.59Å; F346-D349 PolarHBondContact O-N 2.62Å; F346-D349 VanDerWaalsContact O-N 3.15Å; D349-R356 VanDerWaalsContact O-CZ 3.24Å; D349-R356 PolarHBondContact O-NE 3.44Å; D349-R356 PolarHBondContact O-NH2 3.17Å; D349-K384 IonicContact OD1-NZ 2.65Å; D349-K384 IonicContact OD2-NZ 3.11Å; D349-K384 PolarHBondContact OD2-NZ 2.77Å; D349-H385 IonicContact OD2-CD2 2.69Å; D349-H385 IonicContact OD2-CE1 3.95Å; D349-H385 PolarHBondContact OD2-CE1 3.34Å; D349-H385 IonicContact OD2-NE2 2.7Å; D349-H385 PolarHBondContact OD2-NE2 3.28Å |
| 350 | C | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 33.8 | -175.5 | -57.7 | 0 | 0 | 0 | 0 | 113.2 | I223 W226 F346 R347 H348 | I223-C350 WeakPolarHBondContact CG2-O 3.43Å; W226-C350 WeakPolarHBondContact CB-O 3.29Å; W226-C350 HydrophobicContact CD2-CB 3.41Å; W226-C350 VanDerWaalsContact CD2-CB 3.41Å; W226-C350 HydrophobicContact CE3-CB 3.27Å; W226-C350 HydrophobicContact CG-CB 4.1Å; W226-C350 HydrophobicContact CH2-CB 3.74Å; W226-C350 HydrophobicContact CZ2-CB 3.88Å; W226-C350 HydrophobicContact CZ3-CB 3.45Å; W226-C350 VanDerWaalsContact CZ3-CB 3.45Å; F346-C350 VanDerWaalsContact CD2-SG 3.58Å; F346-C350 WeakPolarHBondContact CE2-SG 3.42Å; F346-C350 PolarHBondContact O-N 3.22Å; R347-C350 CarbonylContact O-C 3.57Å; R347-C350 VanDerWaalsContact O-C 3.32Å; R347-C350 PolarHBondContact O-N 3.29Å; H348-C350 VanDerWaalsContact C-N 3.27Å; H348-C350 PolarHBondContact O-N 3.45Å |
| 351 | K | 94.6 | Very high | 94.6 | Very high | 105 Ų | 105 | 57.9 Ų | 57.9 | 46% | 0.457 | 31% | 0.314 | S | S | . | . | trans | -59.2 | 148.1 | 171.7 | -70.2 | -176.4 | 179.9 | -173.4 | 0 | 111.3 | R347 K354 | R347-K351 WeakPolarHBondContact O-CG 3.25Å; R347-K351 PolarHBondContact O-N 2.82Å; K351-K354 HydrophobicContact CB-CG 4.17Å; K351-K354 VanDerWaalsContact O-CB 3.25Å; K351-K354 WeakPolarHBondContact O-CB 3.24Å; K351-K354 WeakPolarHBondContact O-CG 3.38Å; K351-K354 PolarHBondContact O-N 2.76Å; K351-K354 VanDerWaalsContact O-N 3.11Å | ||
| 352 | A | 95 | Very high | 94.8 | Very high | 70 Ų | 70 | 58 Ų | 58 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 140.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I223 G224 K354 | I223-A352 CarbonylContact O-C 3.55Å; I223-A352 WeakPolarHBondContact O-CA 3.27Å; G224-A352 WeakPolarHBondContact O-CB 3.35Å; A352-K354 VanDerWaalsContact C-N 3.29Å; A352-K354 PolarHBondContact O-N 3.11Å |
| 353 | G | 94.5 | Very high | 95 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -12.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I223 R355 | I223-G353 PolarHBondContact O-N 3.38Å; G353-R355 PolarHBondContact O-N 3.07Å |
| 354 | K | 96.7 | Very high | 95.1 | Very high | 97 Ų | 97 | 60.9 Ų | 60.9 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | trans | -67.1 | 135.1 | 177.6 | -69.2 | -69.3 | -174.6 | -179.1 | 0 | 111 | Y222 I223 K351 A352 | Y222-K354 WeakPolarHBondContact CA-O 2.97Å; I223-K354 HydrophobicContact CG1-CB 4.46Å; I223-K354 PolarHBondContact N-O 2.94Å; K351-K354 HydrophobicContact CB-CG 4.17Å; K351-K354 VanDerWaalsContact O-CB 3.25Å; K351-K354 WeakPolarHBondContact O-CB 3.24Å; K351-K354 WeakPolarHBondContact O-CG 3.38Å; K351-K354 PolarHBondContact O-N 2.76Å; K351-K354 VanDerWaalsContact O-N 3.11Å; A352-K354 VanDerWaalsContact C-N 3.29Å; A352-K354 PolarHBondContact O-N 3.11Å | ||
| 355 | R | 97.6 | Very high | 95.2 | Very high | 114 Ų | 114 | 62.4 Ų | 62.4 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.5 | 175.6 | -163.4 | 174.6 | 56.6 | -163.7 | -4.1 | 110.9 | V221 Y222 G353 L376 | V221-R355 CarbonylContact O-C 3.17Å; V221-R355 WeakPolarHBondContact O-CA 3.42Å; Y222-R355 HydrophobicContact CD1-CB 4.17Å; Y222-R355 HydrophobicContact CD1-CG 4.37Å; Y222-R355 HydrophobicContact CE1-CB 4.03Å; Y222-R355 HydrophobicContact CE1-CG 4.06Å; G353-R355 PolarHBondContact O-N 3.07Å; R355-L376 HydrophobicContact CB-CD1 4.49Å; R355-L376 HydrophobicContact CG-CD2 4.09Å |
| 356 | R | 98 | Very high | 95.1 | Very high | 31 Ų | 31 | 67.2 Ų | 67.2 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 174.2 | -176.5 | -64.4 | -64.9 | 172.5 | -114.7 | 16.6 | 110.5 | Q220 V221 I223 D349 L373 Y374 | Q220-R356 WeakPolarHBondContact CA-O 3.39Å; V221-R356 HydrophobicContact CG2-CB 4.04Å; V221-R356 PolarHBondContact N-O 3.47Å; V221-R356 PolarHBondContact O-N 3.39Å; I223-R356 HydrophobicContact CD1-CB 4.39Å; I223-R356 HydrophobicContact CD1-CG 3.97Å; I223-R356 HydrophobicContact CG1-CG 3.9Å; D349-R356 VanDerWaalsContact O-CZ 3.24Å; D349-R356 PolarHBondContact O-NE 3.44Å; D349-R356 PolarHBondContact O-NH2 3.17Å; R356-L373 HydrophobicContact CB-CD1 3.81Å; R356-L373 HydrophobicContact CG-CD1 4.27Å; R356-Y374 WeakPolarHBondContact CB-O 3.23Å; R356-Y374 WeakPolarHBondContact CD-O 3.41Å |
| 357 | Q | 98.4 | Very high | 95 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 19% | 0.187 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143.2 | 168.2 | -63.6 | 177 | -26.5 | 0 | 0 | 109.8 | M218 H219 Q220 Y374 L376 | M218-Q357 HydrophobicContact CE-CB 3.56Å; M218-Q357 HydrophobicContact CE-CG 4.37Å; M218-Q357 VanDerWaalsContact CE-OE1 3.24Å; H219-Q357 CarbonylContact O-C 3.32Å; H219-Q357 VanDerWaalsContact O-CA 3.29Å; H219-Q357 WeakPolarHBondContact O-CA 3.2Å; Q220-Q357 HydrophobicContact CG-CG 4.38Å; Q357-Y374 PolarHBondContact N-O 3.16Å; Q357-Y374 PolarHBondContact O-N 3.23Å; Q357-L376 HydrophobicContact CG-CD2 4.3Å |
| 358 | V | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 148.3 | 174.9 | -62 | 0 | 0 | 0 | 0 | 110.6 | H219 V221 F236 V371 N372 L373 | H219-V358 HydrophobicContact CB-CG2 4.19Å; H219-V358 PolarHBondContact N-O 2.67Å; H219-V358 PolarHBondContact O-N 2.85Å; V221-V358 HydrophobicContact CG1-CB 4.42Å; V221-V358 HydrophobicContact CG1-CG1 4.15Å; V221-V358 HydrophobicContact CG1-CG2 3.49Å; V221-V358 VanDerWaalsContact CG1-CG2 3.49Å; V221-V358 HydrophobicContact CG2-CG1 3.67Å; F236-V358 HydrophobicContact CE1-CG2 4.17Å; F236-V358 HydrophobicContact CZ-CG2 4.14Å; V358-V371 HydrophobicContact CB-CB 4.29Å; V358-V371 HydrophobicContact CB-CG1 4.38Å; V358-V371 HydrophobicContact CG1-CG2 4.42Å; V358-N372 VanDerWaalsContact CA-O 3.32Å; V358-N372 WeakPolarHBondContact CA-O 3.35Å; V358-L373 HydrophobicContact CG1-CD1 3.67Å |
| 359 | K | 98.1 | Very high | 95.3 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.8 | 168.4 | -163.9 | -176.1 | -178.9 | -158.5 | 0 | 108.6 | E216 M218 V371 N372 Y374 | E216-K359 VanDerWaalsContact C-CE 3.47Å; E216-K359 WeakPolarHBondContact O-CE 3.35Å; E216-K359 WeakPolarHBondContact OE2-CE 3.24Å; E216-K359 IonicContact OE2-NZ 3.52Å; E216-K359 PolarHBondContact OE2-NZ 3.09Å; M218-K359 HydrophobicContact SD-CB 3.73Å; M218-K359 HydrophobicContact SD-CD 4.28Å; M218-K359 HydrophobicContact SD-CG 4.22Å; K359-V371 CarbonylContact O-C 3.56Å; K359-V371 VanDerWaalsContact O-CA 3.28Å; K359-V371 WeakPolarHBondContact O-CA 3.39Å; K359-N372 PolarHBondContact N-O 3.04Å; K359-N372 PolarHBondContact O-N 2.95Å; K359-Y374 HydrophobicContact CB-CE2 3.94Å |
| 360 | F | 97.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 151.9 | 178.1 | 59.5 | -91.7 | 0 | 0 | 0 | 110.4 | F204 F213 E214 P215 E216 H219 F236 D362 L369 S370 V371 | F204-F360 AromaticContact CD1-CE2 3.97Å; F204-F360 HydrophobicContact CD1-CE2 3.97Å; F204-F360 AromaticContact CD1-CZ 3.96Å; F204-F360 HydrophobicContact CD1-CZ 3.96Å; F204-F360 HydrophobicContact CE1-CE1 4.33Å; F204-F360 HydrophobicContact CE1-CE2 4.22Å; F204-F360 AromaticContact CE1-CZ 3.97Å; F204-F360 HydrophobicContact CE1-CZ 3.97Å; F213-F360 HydrophobicContact CB-CE1 4.19Å; F213-F360 HydrophobicContact CB-CZ 3.75Å; E214-F360 VanDerWaalsContact O-CZ 3.23Å; E214-F360 WeakPolarHBondContact O-CZ 3.48Å; P215-F360 VanDerWaalsContact CA-CE2 3.44Å; P215-F360 HydrophobicContact CB-CD2 4.18Å; P215-F360 HydrophobicContact CB-CE2 3.95Å; E216-F360 PolarHBondContact N-O 3.47Å; H219-F360 AromaticContact CD2-CE1 3.59Å; H219-F360 AromaticContact NE2-CE1 3.83Å; F236-F360 HydrophobicContact CE1-CE1 4.25Å; F236-F360 HydrophobicContact CZ-CE1 4.2Å; F360-D362 VanDerWaalsContact CD2-O 3.29Å; F360-D362 WeakPolarHBondContact CD2-O 3.41Å; F360-L369 HydrophobicContact CB-CD1 3.9Å; F360-L369 HydrophobicContact CB-CD2 4.31Å; F360-L369 HydrophobicContact CB-CG 4.08Å; F360-L369 HydrophobicContact CD1-CD1 4.44Å; F360-L369 HydrophobicContact CD1-CD2 3.98Å; F360-L369 HydrophobicContact CD2-CD1 3.97Å; F360-L369 HydrophobicContact CG-CD1 3.86Å; F360-L369 HydrophobicContact CG-CD2 4.18Å; F360-L369 HydrophobicContact CG-CG 4.3Å; F360-S370 WeakPolarHBondContact CB-O 3.36Å; F360-V371 HydrophobicContact CB-CG1 4.21Å |
| 361 | C | 92.9 | Very high | 95.7 | Very high | 72 Ų | 72 | 59 Ų | 59 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -91.7 | -34.2 | -176.2 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | P215 E216 | P215-C361 VanDerWaalsContact CB-O 3.27Å; P215-C361 WeakPolarHBondContact CB-O 3.22Å; E216-C361 VanDerWaalsContact OE1-CA 3.24Å; E216-C361 WeakPolarHBondContact OE1-CA 3.15Å; E216-C361 WeakPolarHBondContact OE1-CB 3.09Å; E216-C361 PolarHBondContact OE1-SG 3.22Å |
| 362 | D | 93 | Very high | 95.8 | Very high | 81 Ų | 81 | 55.9 Ų | 55.9 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -145 | 171.4 | -179.6 | -162.4 | -5.7 | 0 | 0 | 0 | 108.9 | F360 L369 | F360-D362 VanDerWaalsContact CD2-O 3.29Å; F360-D362 WeakPolarHBondContact CD2-O 3.41Å; D362-L369 WeakPolarHBondContact O-CD1 3.46Å |
| 363 | R | 92.7 | Very high | 96 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -56.8 | 163.1 | 173.7 | 73.5 | -168.4 | 176.7 | -77.7 | 1.8 | 112 | F204 I365 | F204-R363 HydrophobicContact CB-CB 3.9Å; F204-R363 HydrophobicContact CG-CB 4.39Å; R363-I365 PolarHBondContact O-N 3.23Å |
| 364 | P | 94.9 | Very high | 96.1 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | trans | -56.9 | 138.9 | 174.6 | -21.1 | 31.3 | 0 | 0 | 0 | 112.5 | F204 I368 L369 | F204-P364 HydrophobicContact CD2-CG 3.87Å; F204-P364 HydrophobicContact CE1-CG 4.31Å; F204-P364 HydrophobicContact CE2-CG 3.51Å; F204-P364 HydrophobicContact CG-CG 4.41Å; F204-P364 HydrophobicContact CZ-CG 3.76Å; P364-I368 VanDerWaalsContact CA-O 3.26Å; P364-I368 WeakPolarHBondContact CA-O 3.04Å; P364-L369 HydrophobicContact CB-CB 4.48Å; P364-L369 HydrophobicContact CG-CB 4.19Å; P364-L369 HydrophobicContact CG-CD1 3.94Å | ||
| 365 | I | 93.8 | Very high | 96.1 | Very high | 117 Ų | 117 | 48.3 Ų | 48.3 | 60% | 0.6 | 25% | 0.247 | S | C | * | . | B | Isolated β-bridge | trans | -107.8 | 126.8 | 170.4 | -58.8 | 173.5 | 0 | 0 | 0 | 106.6 | R363 G367 I368 | R363-I365 PolarHBondContact O-N 3.23Å; I365-G367 PolarHBondContact O-N 3.32Å; I365-G367 VanDerWaalsContact O-N 3.15Å; I365-I368 PolarHBondContact N-O 2.8Å; I365-I368 PolarHBondContact O-N 2.75Å |
| 366 | D | 91.4 | Very high | 96 | Very high | 146 Ų | 146 | 46.1 Ų | 46.1 | 78% | 0.781 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 39 | -175.2 | -59.1 | -33.6 | 0 | 0 | 0 | 113.5 | R327 I368 | R327-D366 PolarHBondContact NH2-O 3.03Å; R327-D366 VanDerWaalsContact NH2-O 3.1Å; D366-I368 PolarHBondContact O-N 2.84Å |
| 367 | G | 92.2 | Very high | 95.9 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 16.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I365 | I365-G367 PolarHBondContact O-N 3.32Å; I365-G367 VanDerWaalsContact O-N 3.15Å |
| 368 | I | 96.1 | Very high | 95.8 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 23% | 0.226 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -113.7 | 120.6 | 175.4 | -53.9 | 176.9 | 0 | 0 | 0 | 109.5 | Q329 P364 I365 D366 | Q329-I368 HydrophobicContact CB-CG2 3.97Å; Q329-I368 HydrophobicContact CG-CG2 3.72Å; P364-I368 VanDerWaalsContact CA-O 3.26Å; P364-I368 WeakPolarHBondContact CA-O 3.04Å; I365-I368 PolarHBondContact N-O 2.8Å; I365-I368 PolarHBondContact O-N 2.75Å; D366-I368 PolarHBondContact O-N 2.84Å |
| 369 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118.1 | 172.2 | -171.2 | 69.5 | 0 | 0 | 0 | 110.2 | F204 F236 I326 R327 C328 Q329 F360 D362 P364 V371 | F204-L369 HydrophobicContact CE1-CD1 3.89Å; F204-L369 HydrophobicContact CE1-CD2 4.03Å; F204-L369 HydrophobicContact CZ-CD1 4.32Å; F204-L369 HydrophobicContact CZ-CD2 4.17Å; F236-L369 HydrophobicContact CE2-CD2 4.34Å; F236-L369 HydrophobicContact CZ-CD2 4.06Å; I326-L369 HydrophobicContact CG2-CB 3.8Å; I326-L369 HydrophobicContact CG2-CD2 4.1Å; R327-L369 PolarHBondContact O-N 2.96Å; C328-L369 WeakPolarHBondContact CA-O 3.35Å; Q329-L369 PolarHBondContact N-O 3.27Å; F360-L369 HydrophobicContact CB-CD1 3.9Å; F360-L369 HydrophobicContact CB-CD2 4.31Å; F360-L369 HydrophobicContact CB-CG 4.08Å; F360-L369 HydrophobicContact CD1-CD1 4.44Å; F360-L369 HydrophobicContact CD1-CD2 3.98Å; F360-L369 HydrophobicContact CD2-CD1 3.97Å; F360-L369 HydrophobicContact CG-CD1 3.86Å; F360-L369 HydrophobicContact CG-CD2 4.18Å; F360-L369 HydrophobicContact CG-CG 4.3Å; D362-L369 WeakPolarHBondContact O-CD1 3.46Å; P364-L369 HydrophobicContact CB-CB 4.48Å; P364-L369 HydrophobicContact CG-CB 4.19Å; P364-L369 HydrophobicContact CG-CD1 3.94Å; L369-V371 HydrophobicContact CB-CG1 4.32Å; L369-V371 HydrophobicContact CD2-CG1 3.67Å; L369-V371 HydrophobicContact CG-CG1 3.67Å |
| 370 | S | 97.3 | Very high | 95.6 | Very high | 43 Ų | 43 | 53.2 Ų | 53.2 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 120.7 | 172.7 | -66.8 | 0 | 0 | 0 | 0 | 110 | Q329 F360 | Q329-S370 PolarHBondContact NE2-OG 3.39Å; Q329-S370 WeakPolarHBondContact O-CA 3.07Å; F360-S370 WeakPolarHBondContact CB-O 3.36Å |
| 371 | V | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153 | -172.6 | -53.6 | 0 | 0 | 0 | 0 | 113.1 | F232 C328 Q329 I330 I331 V358 K359 F360 L369 | F232-V371 HydrophobicContact CE1-CG2 4.42Å; F232-V371 HydrophobicContact CE2-CG2 4.46Å; F232-V371 HydrophobicContact CZ-CG2 3.6Å; C328-V371 HydrophobicContact CB-CG2 4.23Å; Q329-V371 PolarHBondContact O-N 2.98Å; I330-V371 CarbonylContact C-O 3.57Å; I330-V371 VanDerWaalsContact CA-O 3.31Å; I330-V371 WeakPolarHBondContact CA-O 3.29Å; I331-V371 PolarHBondContact N-O 3.49Å; V358-V371 HydrophobicContact CB-CB 4.29Å; V358-V371 HydrophobicContact CB-CG1 4.38Å; V358-V371 HydrophobicContact CG1-CG2 4.42Å; K359-V371 CarbonylContact O-C 3.56Å; K359-V371 VanDerWaalsContact O-CA 3.28Å; K359-V371 WeakPolarHBondContact O-CA 3.39Å; F360-V371 HydrophobicContact CB-CG1 4.21Å; L369-V371 HydrophobicContact CB-CG1 4.32Å; L369-V371 HydrophobicContact CD2-CG1 3.67Å; L369-V371 HydrophobicContact CG-CG1 3.67Å |
| 372 | N | 97.9 | Very high | 95.6 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 139.7 | 152.3 | -62.8 | -47.6 | 0 | 0 | 0 | 108.5 | V358 K359 Y374 | V358-N372 VanDerWaalsContact CA-O 3.32Å; V358-N372 WeakPolarHBondContact CA-O 3.35Å; K359-N372 PolarHBondContact N-O 3.04Å; K359-N372 PolarHBondContact O-N 2.95Å; N372-Y374 HydrophobicContact CB-CE2 3.49Å; N372-Y374 VanDerWaalsContact CB-CE2 3.49Å; N372-Y374 VanDerWaalsContact CB-OH 3.27Å; N372-Y374 WeakPolarHBondContact CB-OH 3.34Å |
| 373 | L | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.3 | -174.7 | -175.9 | 68.7 | 0 | 0 | 0 | 110.7 | I223 W226 I330 F346 R356 V358 L381 | I223-L373 HydrophobicContact CD1-CD1 4.32Å; W226-L373 HydrophobicContact CH2-CD2 4.14Å; W226-L373 HydrophobicContact CZ3-CD2 3.85Å; I330-L373 HydrophobicContact CD1-CB 4.21Å; I330-L373 HydrophobicContact CD1-CD2 4.17Å; F346-L373 HydrophobicContact CE2-CD2 4.42Å; F346-L373 HydrophobicContact CZ-CD2 4.46Å; R356-L373 HydrophobicContact CB-CD1 3.81Å; R356-L373 HydrophobicContact CG-CD1 4.27Å; V358-L373 HydrophobicContact CG1-CD1 3.67Å; L373-L381 HydrophobicContact CD2-CD1 4.28Å; L373-L381 HydrophobicContact CG-CD1 4.22Å; L373-L381 PolarHBondContact O-N 2.95Å |
| 374 | Y | 98.2 | Very high | 95.6 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 153.3 | -175 | -51 | -96.6 | 0 | 0 | 0 | 111.5 | M218 R356 Q357 K359 N372 G378 C379 D380 | M218-Y374 HydrophobicContact CE-CD2 3.5Å; M218-Y374 VanDerWaalsContact CE-CD2 3.5Å; M218-Y374 HydrophobicContact CE-CE2 3.97Å; M218-Y374 HydrophobicContact CE-CG 3.83Å; M218-Y374 HydrophobicContact SD-CD2 4.05Å; M218-Y374 HydrophobicContact SD-CE2 3.92Å; R356-Y374 WeakPolarHBondContact CB-O 3.23Å; R356-Y374 WeakPolarHBondContact CD-O 3.41Å; Q357-Y374 PolarHBondContact N-O 3.16Å; Q357-Y374 PolarHBondContact O-N 3.23Å; K359-Y374 HydrophobicContact CB-CE2 3.94Å; N372-Y374 HydrophobicContact CB-CE2 3.49Å; N372-Y374 VanDerWaalsContact CB-CE2 3.49Å; N372-Y374 VanDerWaalsContact CB-OH 3.27Å; N372-Y374 WeakPolarHBondContact CB-OH 3.34Å; Y374-G378 WeakPolarHBondContact CD1-O 3.48Å; Y374-C379 VanDerWaalsContact CA-O 3.24Å; Y374-C379 WeakPolarHBondContact CA-O 3.25Å; Y374-D380 HydrophobicContact CD1-CB 4.01Å; Y374-D380 HydrophobicContact CE1-CB 3.89Å |
| 375 | N | 96.5 | Very high | 95.5 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | trans | -71.7 | -177.4 | 162.2 | 70.7 | 1.6 | 0 | 0 | 0 | 110.4 | D377 G378 C379 L381 | N375-D377 PolarHBondContact ND2-OD2 3.5Å; N375-D377 PolarHBondContact O-N 3.03Å; N375-D377 PolarHBondContact OD1-N 2.92Å; N375-D377 VanDerWaalsContact OD1-N 3.08Å; N375-G378 PolarHBondContact O-N 3.49Å; N375-G378 PolarHBondContact OD1-N 2.89Å; N375-C379 PolarHBondContact N-O 2.91Å; N375-C379 WeakPolarHBondContact ND2-CB 3.38Å; N375-C379 WeakPolarHBondContact OD1-CA 3.28Å; N375-C379 WeakPolarHBondContact OD1-CB 3.46Å; N375-C379 PolarHBondContact OD1-N 3.46Å; N375-C379 PolarHBondContact OD1-O 3.3Å; N375-L381 HydrophobicContact CB-CD2 4.11Å | ||
| 376 | L | 95.9 | Very high | 95.4 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 36% | 0.356 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -17.1 | 179.1 | -61.6 | 180 | 0 | 0 | 0 | 113.3 | R355 Q357 G378 | R355-L376 HydrophobicContact CB-CD1 4.49Å; R355-L376 HydrophobicContact CG-CD2 4.09Å; Q357-L376 HydrophobicContact CG-CD2 4.3Å; L376-G378 VanDerWaalsContact C-N 3.27Å |
| 377 | D | 95.8 | Very high | 95.3 | Very high | 139 Ų | 139 | 40.7 Ų | 40.7 | 74% | 0.743 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.8 | 177.5 | -45.9 | -54.9 | 0 | 0 | 0 | 112.1 | N375 | N375-D377 PolarHBondContact ND2-OD2 3.5Å; N375-D377 PolarHBondContact O-N 3.03Å; N375-D377 PolarHBondContact OD1-N 2.92Å; N375-D377 VanDerWaalsContact OD1-N 3.08Å |
| 378 | G | 95.2 | Very high | 95.2 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | trans | 82 | 7.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y374 N375 L376 D380 | Y374-G378 WeakPolarHBondContact CD1-O 3.48Å; N375-G378 PolarHBondContact O-N 3.49Å; N375-G378 PolarHBondContact OD1-N 2.89Å; L376-G378 VanDerWaalsContact C-N 3.27Å; G378-D380 PolarHBondContact O-N 2.88Å | ||
| 379 | C | 96.2 | Very high | 94.8 | Very high | 64 Ų | 64 | 44 Ų | 44 | 43% | 0.432 | 24% | 0.243 | S | C | . | . | trans | -71.4 | 125.8 | 172.7 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | Y374 N375 L381 | Y374-C379 VanDerWaalsContact CA-O 3.24Å; Y374-C379 WeakPolarHBondContact CA-O 3.25Å; N375-C379 PolarHBondContact N-O 2.91Å; N375-C379 WeakPolarHBondContact ND2-CB 3.38Å; N375-C379 WeakPolarHBondContact OD1-CA 3.28Å; N375-C379 WeakPolarHBondContact OD1-CB 3.46Å; N375-C379 PolarHBondContact OD1-N 3.46Å; N375-C379 PolarHBondContact OD1-O 3.3Å; C379-L381 PolarHBondContact O-N 2.91Å | ||
| 380 | D | 96.6 | Very high | 94.3 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -65.1 | 116.1 | 172.8 | -173.8 | -46.8 | 0 | 0 | 0 | 109.9 | Y374 G378 F382 L383 K384 | Y374-D380 HydrophobicContact CD1-CB 4.01Å; Y374-D380 HydrophobicContact CE1-CB 3.89Å; G378-D380 PolarHBondContact O-N 2.88Å; D380-F382 WeakPolarHBondContact OD1-CA 3.34Å; D380-F382 WeakPolarHBondContact OD1-CB 3.47Å; D380-F382 PolarHBondContact OD1-N 3.4Å; D380-L383 HydrophobicContact CB-CB 4.07Å; D380-L383 HydrophobicContact CB-CD1 4.02Å; D380-L383 HydrophobicContact CB-CG 4.19Å; D380-L383 PolarHBondContact OD1-N 3.49Å; D380-K384 WeakPolarHBondContact O-CB 3.36Å; D380-K384 PolarHBondContact O-N 3.48Å |
| 381 | L | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.2 | -28.6 | -176.2 | -68.5 | -176.9 | 0 | 0 | 0 | 112.7 | F346 L373 N375 C379 K384 H385 | F346-L381 HydrophobicContact CE2-CB 3.66Å; F346-L381 HydrophobicContact CE2-CD1 4.39Å; F346-L381 HydrophobicContact CZ-CB 4.08Å; L373-L381 HydrophobicContact CD2-CD1 4.28Å; L373-L381 HydrophobicContact CG-CD1 4.22Å; L373-L381 PolarHBondContact O-N 2.95Å; N375-L381 HydrophobicContact CB-CD2 4.11Å; C379-L381 PolarHBondContact O-N 2.91Å; L381-K384 HydrophobicContact CD2-CD 3.91Å; L381-K384 PolarHBondContact O-N 2.87Å; L381-H385 PolarHBondContact O-CD2 3.17Å; L381-H385 PolarHBondContact O-N 2.95Å; L381-H385 VanDerWaalsContact O-N 3.16Å |
| 382 | F | 93.7 | Very high | 93.5 | Very high | 18 Ų | 18 | 56 Ų | 56 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.9 | -46.1 | 175.6 | -175.2 | -104.8 | 0 | 0 | 0 | 110.2 | I330 F346 D380 K384 H385 F386 F390 | I330-F382 HydrophobicContact CG2-CB 3.84Å; I330-F382 HydrophobicContact CG2-CD2 3.63Å; I330-F382 HydrophobicContact CG2-CE2 4.34Å; I330-F382 HydrophobicContact CG2-CG 3.77Å; F346-F382 HydrophobicContact CE1-CD2 4.45Å; D380-F382 WeakPolarHBondContact OD1-CA 3.34Å; D380-F382 WeakPolarHBondContact OD1-CB 3.47Å; D380-F382 PolarHBondContact OD1-N 3.4Å; F382-K384 VanDerWaalsContact C-N 3.35Å; F382-K384 PolarHBondContact O-N 3.45Å; F382-H385 PolarHBondContact O-N 3.48Å; F382-F386 AromaticContact CD2-CD2 3.47Å; F382-F386 HydrophobicContact CD2-CD2 3.47Å; F382-F386 VanDerWaalsContact CD2-CD2 3.47Å; F382-F386 AromaticContact CD2-CE2 3.83Å; F382-F386 HydrophobicContact CD2-CE2 3.83Å; F382-F386 HydrophobicContact CD2-CG 4.33Å; F382-F386 HydrophobicContact CE2-CB 4.43Å; F382-F386 AromaticContact CE2-CD2 3.48Å; F382-F386 HydrophobicContact CE2-CD2 3.48Å; F382-F386 VanDerWaalsContact CE2-CD2 3.48Å; F382-F386 AromaticContact CE2-CE2 3.81Å; F382-F386 HydrophobicContact CE2-CE2 3.81Å; F382-F386 AromaticContact CE2-CG 3.99Å; F382-F386 HydrophobicContact CE2-CG 3.99Å; F382-F386 HydrophobicContact CG-CD2 4.21Å; F382-F386 HydrophobicContact CZ-CB 4.37Å; F382-F386 HydrophobicContact CZ-CD2 4.24Å; F382-F386 HydrophobicContact CZ-CG 4.35Å; F382-F386 WeakPolarHBondContact O-CB 3.24Å; F382-F386 WeakPolarHBondContact O-CD2 3.37Å; F382-F386 PolarHBondContact O-N 3.17Å; F382-F390 HydrophobicContact CD1-CE2 4.5Å; F382-F390 AromaticContact CE1-CE2 3.51Å; F382-F390 HydrophobicContact CE1-CE2 3.51Å; F382-F390 HydrophobicContact CE1-CZ 4.06Å; F382-F390 AromaticContact CZ-CE2 3.65Å; F382-F390 HydrophobicContact CZ-CE2 3.65Å; F382-F390 AromaticContact CZ-CZ 3.83Å; F382-F390 HydrophobicContact CZ-CZ 3.83Å |
| 383 | L | 92.9 | Very high | 93 | Very high | 102 Ų | 102 | 58.9 Ų | 58.9 | 53% | 0.534 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 174.7 | -66.7 | 177.6 | 0 | 0 | 0 | 112.4 | D380 H385 G387 | D380-L383 HydrophobicContact CB-CB 4.07Å; D380-L383 HydrophobicContact CB-CD1 4.02Å; D380-L383 HydrophobicContact CB-CG 4.19Å; D380-L383 PolarHBondContact OD1-N 3.49Å; L383-H385 VanDerWaalsContact C-N 3.33Å; L383-H385 PolarHBondContact O-N 3.05Å; L383-G387 WeakPolarHBondContact O-CA 3.31Å; L383-G387 PolarHBondContact O-N 3.1Å |
| 384 | K | 93.9 | Very high | 92.7 | Very high | 116 Ų | 116 | 65 Ų | 65 | 50% | 0.504 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 174.2 | -179.4 | -172 | 174.5 | -170.6 | 0 | 111.9 | D349 D380 L381 F382 | D349-K384 IonicContact OD1-NZ 2.65Å; D349-K384 IonicContact OD2-NZ 3.11Å; D349-K384 PolarHBondContact OD2-NZ 2.77Å; D380-K384 WeakPolarHBondContact O-CB 3.36Å; D380-K384 PolarHBondContact O-N 3.48Å; L381-K384 HydrophobicContact CD2-CD 3.91Å; L381-K384 PolarHBondContact O-N 2.87Å; F382-K384 VanDerWaalsContact C-N 3.35Å; F382-K384 PolarHBondContact O-N 3.45Å |
| 385 | H | 92.9 | Very high | 92.4 | Very high | 29 Ų | 29 | 66.8 Ų | 66.8 | 13% | 0.134 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -88.7 | -40.2 | -173.6 | -74.4 | -68.8 | 0 | 0 | 0 | 113.3 | I342 F346 D349 L381 F382 L383 | I342-H385 HydrophobicContact CG2-CB 3.91Å; I342-H385 WeakPolarHBondContact CG2-O 3.35Å; F346-H385 HydrophobicContact CB-CB 4.29Å; F346-H385 HydrophobicContact CD1-CB 4.42Å; F346-H385 AromaticContact CD2-CD2 3.24Å; F346-H385 WeakPolarHBondContact CD2-CD2 3.46Å; F346-H385 AromaticContact CD2-NE2 3.69Å; F346-H385 AromaticContact CE2-CD2 3.82Å; F346-H385 HydrophobicContact CG-CB 4.26Å; F346-H385 AromaticContact CG-CD2 3.56Å; F346-H385 AromaticContact CG-CG 3.91Å; D349-H385 IonicContact OD2-CD2 2.69Å; D349-H385 IonicContact OD2-CE1 3.95Å; D349-H385 PolarHBondContact OD2-CE1 3.34Å; D349-H385 IonicContact OD2-NE2 2.7Å; D349-H385 PolarHBondContact OD2-NE2 3.28Å; L381-H385 PolarHBondContact O-CD2 3.17Å; L381-H385 PolarHBondContact O-N 2.95Å; L381-H385 VanDerWaalsContact O-N 3.16Å; F382-H385 PolarHBondContact O-N 3.48Å; L383-H385 VanDerWaalsContact C-N 3.33Å; L383-H385 PolarHBondContact O-N 3.05Å |
| 386 | F | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -104.5 | -11.1 | -175.3 | -62.5 | -87.3 | 0 | 0 | 0 | 114.1 | P229 T337 F338 I342 L343 F346 F382 E388 L389 F390 | P229-F386 HydrophobicContact CG-CE2 4.13Å; P229-F386 HydrophobicContact CG-CZ 4.13Å; T337-F386 WeakPolarHBondContact O-CE1 3.39Å; F338-F386 HydrophobicContact CD1-CZ 4.49Å; I342-F386 HydrophobicContact CB-CE1 4.4Å; I342-F386 HydrophobicContact CG2-CD1 3.86Å; I342-F386 HydrophobicContact CG2-CD2 4.43Å; I342-F386 HydrophobicContact CG2-CE1 3.68Å; I342-F386 HydrophobicContact CG2-CE2 4.3Å; I342-F386 HydrophobicContact CG2-CG 4.24Å; I342-F386 HydrophobicContact CG2-CZ 3.92Å; L343-F386 HydrophobicContact CD2-CZ 4.07Å; F346-F386 HydrophobicContact CD1-CD2 4.43Å; F346-F386 AromaticContact CD1-CE2 3.52Å; F346-F386 HydrophobicContact CD1-CE2 3.52Å; F346-F386 HydrophobicContact CD1-CZ 4.24Å; F346-F386 HydrophobicContact CE1-CD2 4.41Å; F346-F386 AromaticContact CE1-CE2 3.72Å; F346-F386 HydrophobicContact CE1-CE2 3.72Å; F382-F386 AromaticContact CD2-CD2 3.47Å; F382-F386 HydrophobicContact CD2-CD2 3.47Å; F382-F386 VanDerWaalsContact CD2-CD2 3.47Å; F382-F386 AromaticContact CD2-CE2 3.83Å; F382-F386 HydrophobicContact CD2-CE2 3.83Å; F382-F386 HydrophobicContact CD2-CG 4.33Å; F382-F386 HydrophobicContact CE2-CB 4.43Å; F382-F386 AromaticContact CE2-CD2 3.48Å; F382-F386 HydrophobicContact CE2-CD2 3.48Å; F382-F386 VanDerWaalsContact CE2-CD2 3.48Å; F382-F386 AromaticContact CE2-CE2 3.81Å; F382-F386 HydrophobicContact CE2-CE2 3.81Å; F382-F386 AromaticContact CE2-CG 3.99Å; F382-F386 HydrophobicContact CE2-CG 3.99Å; F382-F386 HydrophobicContact CG-CD2 4.21Å; F382-F386 HydrophobicContact CZ-CB 4.37Å; F382-F386 HydrophobicContact CZ-CD2 4.24Å; F382-F386 HydrophobicContact CZ-CG 4.35Å; F382-F386 WeakPolarHBondContact O-CB 3.24Å; F382-F386 WeakPolarHBondContact O-CD2 3.37Å; F382-F386 PolarHBondContact O-N 3.17Å; F386-E388 VanDerWaalsContact C-N 3.32Å; F386-E388 PolarHBondContact O-N 3.46Å; F386-L389 HydrophobicContact CD1-CD2 4.09Å; F386-L389 WeakPolarHBondContact O-CB 3.37Å; F386-L389 PolarHBondContact O-N 3.08Å; F386-L389 VanDerWaalsContact O-N 3.08Å; F386-F390 HydrophobicContact CB-CD2 3.87Å; F386-F390 HydrophobicContact CB-CE2 3.46Å; F386-F390 VanDerWaalsContact CB-CE2 3.46Å; F386-F390 HydrophobicContact CB-CZ 4.28Å; F386-F390 HydrophobicContact CG-CE2 4.41Å; F386-F390 WeakPolarHBondContact O-CD2 3.46Å; F386-F390 PolarHBondContact O-N 2.96Å |
| 387 | G | 89.7 | Confident | 92.1 | Very high | 22 Ų | 22 | 68.6 Ų | 68.6 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.4 | -40.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L383 F390 R391 | L383-G387 WeakPolarHBondContact O-CA 3.31Å; L383-G387 PolarHBondContact O-N 3.1Å; G387-F390 PolarHBondContact O-N 3.24Å; G387-R391 WeakPolarHBondContact O-CB 3.34Å; G387-R391 PolarHBondContact O-N 3.15Å |
| 388 | E | 88.6 | Confident | 92 | Very high | 113 Ų | 113 | 67.4 Ų | 67.4 | 53% | 0.528 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 175 | -65.4 | -151.1 | 138.8 | 0 | 0 | 113 | F386 R391 K392 | F386-E388 VanDerWaalsContact C-N 3.32Å; F386-E388 PolarHBondContact O-N 3.46Å; E388-R391 PolarHBondContact O-N 3.42Å; E388-R391 IonicContact OE1-NH2 3.02Å; E388-R391 PolarHBondContact OE1-NH2 3.48Å; E388-K392 WeakPolarHBondContact O-CB 3.06Å; E388-K392 WeakPolarHBondContact O-CG 3.33Å; E388-K392 PolarHBondContact O-N 2.86Å |
| 389 | L | 87.6 | Confident | 92 | Very high | 31 Ų | 31 | 70.8 Ų | 70.8 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 177.6 | 176.2 | 74.9 | 0 | 0 | 0 | 110.4 | Y339 I342 F386 K392 R393 | Y339-L389 HydrophobicContact CD2-CD1 3.72Å; Y339-L389 HydrophobicContact CD2-CD2 3.53Å; Y339-L389 HydrophobicContact CD2-CG 4.26Å; Y339-L389 HydrophobicContact CE2-CD1 3.41Å; Y339-L389 VanDerWaalsContact CE2-CD1 3.41Å; Y339-L389 HydrophobicContact CE2-CD2 3.57Å; Y339-L389 HydrophobicContact CE2-CG 4.05Å; I342-L389 HydrophobicContact CD1-CB 4.08Å; I342-L389 HydrophobicContact CD1-CD1 4.44Å; I342-L389 HydrophobicContact CD1-CD2 4.08Å; I342-L389 HydrophobicContact CD1-CG 4.43Å; F386-L389 HydrophobicContact CD1-CD2 4.09Å; F386-L389 WeakPolarHBondContact O-CB 3.37Å; F386-L389 PolarHBondContact O-N 3.08Å; F386-L389 VanDerWaalsContact O-N 3.08Å; L389-K392 PolarHBondContact O-N 3.16Å; L389-R393 WeakPolarHBondContact O-CB 3.13Å; L389-R393 PolarHBondContact O-N 3.03Å |
| 390 | F | 87.5 | Confident | 91.8 | Very high | 58 Ų | 58 | 76.4 Ų | 76.4 | 25% | 0.254 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 178.8 | -69.3 | -55 | 0 | 0 | 0 | 112 | T337 F382 F386 G387 R393 E394 | T337-F390 HydrophobicContact CG2-CE1 3.46Å; T337-F390 VanDerWaalsContact CG2-CE1 3.46Å; T337-F390 HydrophobicContact CG2-CZ 3.6Å; F382-F390 HydrophobicContact CD1-CE2 4.5Å; F382-F390 AromaticContact CE1-CE2 3.51Å; F382-F390 HydrophobicContact CE1-CE2 3.51Å; F382-F390 HydrophobicContact CE1-CZ 4.06Å; F382-F390 AromaticContact CZ-CE2 3.65Å; F382-F390 HydrophobicContact CZ-CE2 3.65Å; F382-F390 AromaticContact CZ-CZ 3.83Å; F382-F390 HydrophobicContact CZ-CZ 3.83Å; F386-F390 HydrophobicContact CB-CD2 3.87Å; F386-F390 HydrophobicContact CB-CE2 3.46Å; F386-F390 VanDerWaalsContact CB-CE2 3.46Å; F386-F390 HydrophobicContact CB-CZ 4.28Å; F386-F390 HydrophobicContact CG-CE2 4.41Å; F386-F390 WeakPolarHBondContact O-CD2 3.46Å; F386-F390 PolarHBondContact O-N 2.96Å; G387-F390 PolarHBondContact O-N 3.24Å; F390-R393 PolarHBondContact O-N 2.86Å; F390-E394 WeakPolarHBondContact O-CB 3.36Å; F390-E394 PolarHBondContact O-N 2.96Å |
| 391 | R | 89.2 | Confident | 91.6 | Very high | 120 Ų | 120 | 79.8 Ų | 79.8 | 45% | 0.453 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 175.5 | 178.9 | 172.4 | 53.2 | 103.4 | -3.8 | 111.9 | G387 E388 R393 E394 E395 | G387-R391 WeakPolarHBondContact O-CB 3.34Å; G387-R391 PolarHBondContact O-N 3.15Å; E388-R391 PolarHBondContact O-N 3.42Å; E388-R391 IonicContact OE1-NH2 3.02Å; E388-R391 PolarHBondContact OE1-NH2 3.48Å; R391-R393 PolarHBondContact O-N 3.46Å; R391-E394 PolarHBondContact O-N 2.75Å; R391-E395 WeakPolarHBondContact CG-OE1 3.19Å; R391-E395 WeakPolarHBondContact O-CB 3.4Å; R391-E395 VanDerWaalsContact O-CG 3.3Å; R391-E395 WeakPolarHBondContact O-CG 3.36Å; R391-E395 PolarHBondContact O-N 2.85Å |
| 392 | K | 90 | Very high | 91.5 | Very high | 119 Ų | 119 | 83.7 Ų | 83.7 | 52% | 0.517 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.7 | -75.1 | 177.1 | 178.8 | 171.4 | 0 | 112.4 | E388 L389 E395 A396 | E388-K392 WeakPolarHBondContact O-CB 3.06Å; E388-K392 WeakPolarHBondContact O-CG 3.33Å; E388-K392 PolarHBondContact O-N 2.86Å; L389-K392 PolarHBondContact O-N 3.16Å; K392-E395 PolarHBondContact O-N 3.4Å; K392-A396 VanDerWaalsContact O-CB 3.31Å; K392-A396 WeakPolarHBondContact O-CB 3.48Å; K392-A396 PolarHBondContact O-N 2.83Å |
| 393 | R | 88.2 | Confident | 91.4 | Very high | 100 Ų | 100 | 84.9 Ų | 84.9 | 38% | 0.377 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 177.1 | -177.2 | -179 | -75.2 | -176.6 | -3.3 | 111 | N336 L389 F390 R391 A396 E397 | N336-R393 PolarHBondContact O-NH2 3.41Å; L389-R393 WeakPolarHBondContact O-CB 3.13Å; L389-R393 PolarHBondContact O-N 3.03Å; F390-R393 PolarHBondContact O-N 2.86Å; R391-R393 PolarHBondContact O-N 3.46Å; R393-A396 PolarHBondContact O-N 3.27Å; R393-E397 WeakPolarHBondContact O-CB 3.25Å; R393-E397 PolarHBondContact O-N 2.8Å |
| 394 | E | 89.9 | Confident | 91.3 | Very high | 130 Ų | 130 | 81.6 Ų | 81.6 | 61% | 0.607 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 177.2 | -176.9 | 172.9 | -160.2 | 0 | 0 | 111.9 | F390 R391 A396 E397 R398 | F390-E394 WeakPolarHBondContact O-CB 3.36Å; F390-E394 PolarHBondContact O-N 2.96Å; R391-E394 PolarHBondContact O-N 2.75Å; E394-A396 PolarHBondContact O-N 3.35Å; E394-E397 PolarHBondContact O-N 2.7Å; E394-R398 WeakPolarHBondContact O-CB 3.47Å; E394-R398 PolarHBondContact O-N 2.83Å |
| 395 | E | 92.8 | Very high | 90.9 | Very high | 75 Ų | 75 | 82.4 Ų | 82.4 | 35% | 0.35 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 174.9 | -75 | 170.4 | -167.2 | 0 | 0 | 112.2 | R391 K392 R398 Q399 | R391-E395 WeakPolarHBondContact CG-OE1 3.19Å; R391-E395 WeakPolarHBondContact O-CB 3.4Å; R391-E395 VanDerWaalsContact O-CG 3.3Å; R391-E395 WeakPolarHBondContact O-CG 3.36Å; R391-E395 PolarHBondContact O-N 2.85Å; K392-E395 PolarHBondContact O-N 3.4Å; E395-R398 PolarHBondContact O-N 2.8Å; E395-Q399 VanDerWaalsContact O-CG 3.29Å; E395-Q399 WeakPolarHBondContact O-CG 3.48Å; E395-Q399 PolarHBondContact O-N 3.34Å |
| 396 | A | 92.9 | Very high | 90.6 | Very high | 35 Ų | 35 | 88.4 Ų | 88.4 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K392 R393 E394 Q399 R400 | K392-A396 VanDerWaalsContact O-CB 3.31Å; K392-A396 WeakPolarHBondContact O-CB 3.48Å; K392-A396 PolarHBondContact O-N 2.83Å; R393-A396 PolarHBondContact O-N 3.27Å; E394-A396 PolarHBondContact O-N 3.35Å; A396-Q399 PolarHBondContact O-N 3.37Å; A396-R400 VanDerWaalsContact O-CG 3.31Å; A396-R400 WeakPolarHBondContact O-CG 3.36Å; A396-R400 PolarHBondContact O-N 3.17Å |
| 397 | E | 93 | Very high | 90 | Very high | 94 Ų | 94 | 98.1 Ų | 98.1 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.8 | -168.8 | -172.1 | 155.6 | 0 | 0 | 111.3 | R393 E394 Q399 R400 K401 | R393-E397 WeakPolarHBondContact O-CB 3.25Å; R393-E397 PolarHBondContact O-N 2.8Å; E394-E397 PolarHBondContact O-N 2.7Å; E397-Q399 PolarHBondContact O-N 3.36Å; E397-R400 PolarHBondContact O-N 3.35Å; E397-K401 WeakPolarHBondContact O-CG 3.4Å; E397-K401 PolarHBondContact O-N 3.22Å; E397-K401 WeakPolarHBondContact OE1-CE 3.48Å; E397-K401 IonicContact OE1-NZ 2.88Å; E397-K401 PolarHBondContact OE1-NZ 2.9Å |
| 398 | R | 94.8 | Very high | 89.1 | Confident | 114 Ų | 114 | 101 Ų | 101 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 174.5 | -179 | -174.8 | 52.3 | 70.2 | 3.1 | 111.5 | E394 E395 R400 K401 E402 | E394-R398 WeakPolarHBondContact O-CB 3.47Å; E394-R398 PolarHBondContact O-N 2.83Å; E395-R398 PolarHBondContact O-N 2.8Å; R398-R400 VanDerWaalsContact C-N 3.34Å; R398-R400 PolarHBondContact O-N 2.7Å; R398-K401 PolarHBondContact O-N 2.7Å; R398-E402 WeakPolarHBondContact CG-OE1 3.44Å; R398-E402 IonicContact CZ-OE1 3.78Å; R398-E402 IonicContact NH1-OE1 3.2Å; R398-E402 PolarHBondContact NH1-OE1 2.95Å; R398-E402 IonicContact NH1-OE2 2.75Å; R398-E402 WeakPolarHBondContact O-CG 2.87Å; R398-E402 PolarHBondContact O-N 3.35Å |
| 399 | Q | 94.5 | Very high | 88 | Confident | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62 | -40 | 176.8 | -72.2 | 174.2 | 17.3 | 0 | 0 | 112.3 | E395 A396 E397 E402 A403 | E395-Q399 VanDerWaalsContact O-CG 3.29Å; E395-Q399 WeakPolarHBondContact O-CG 3.48Å; E395-Q399 PolarHBondContact O-N 3.34Å; A396-Q399 PolarHBondContact O-N 3.37Å; E397-Q399 PolarHBondContact O-N 3.36Å; Q399-E402 PolarHBondContact O-N 3.08Å; Q399-A403 VanDerWaalsContact O-CB 3.29Å; Q399-A403 WeakPolarHBondContact O-CB 3.46Å; Q399-A403 PolarHBondContact O-N 3.48Å |
| 400 | R | 92.8 | Very high | 86.8 | Confident | 182 Ų | 182 | 102.5 Ų | 102.5 | 69% | 0.687 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.1 | -44.3 | 174.8 | -73.7 | 172.9 | -176.2 | 173.8 | -1.1 | 111.5 | A396 E397 R398 A403 A404 | A396-R400 VanDerWaalsContact O-CG 3.31Å; A396-R400 WeakPolarHBondContact O-CG 3.36Å; A396-R400 PolarHBondContact O-N 3.17Å; E397-R400 PolarHBondContact O-N 3.35Å; R398-R400 VanDerWaalsContact C-N 3.34Å; R398-R400 PolarHBondContact O-N 2.7Å; R400-A403 PolarHBondContact O-N 3.2Å; R400-A404 WeakPolarHBondContact O-CB 3.3Å; R400-A404 PolarHBondContact O-N 3.31Å |
| 401 | K | 92.6 | Very high | 85.7 | Confident | 105 Ų | 105 | 103.6 Ų | 103.6 | 46% | 0.457 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.2 | -72 | 176.2 | -176.1 | 169.4 | 0 | 111.9 | E397 R398 A403 A404 M405 | E397-K401 WeakPolarHBondContact O-CG 3.4Å; E397-K401 PolarHBondContact O-N 3.22Å; E397-K401 WeakPolarHBondContact OE1-CE 3.48Å; E397-K401 IonicContact OE1-NZ 2.88Å; E397-K401 PolarHBondContact OE1-NZ 2.9Å; R398-K401 PolarHBondContact O-N 2.7Å; K401-A403 PolarHBondContact O-N 3.2Å; K401-A404 PolarHBondContact O-N 3.33Å; K401-M405 WeakPolarHBondContact O-CG 3.44Å; K401-M405 PolarHBondContact O-N 3.39Å |
| 402 | E | 92.5 | Very high | 84.3 | Confident | 83 Ų | 83 | 100.3 Ų | 100.3 | 39% | 0.388 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 176.6 | -72.6 | 172.5 | -158.4 | 0 | 0 | 112.4 | R398 Q399 M405 K406 | R398-E402 WeakPolarHBondContact CG-OE1 3.44Å; R398-E402 IonicContact CZ-OE1 3.78Å; R398-E402 IonicContact NH1-OE1 3.2Å; R398-E402 PolarHBondContact NH1-OE1 2.95Å; R398-E402 IonicContact NH1-OE2 2.75Å; R398-E402 WeakPolarHBondContact O-CG 2.87Å; R398-E402 PolarHBondContact O-N 3.35Å; Q399-E402 PolarHBondContact O-N 3.08Å; E402-M405 PolarHBondContact O-N 2.96Å; E402-K406 WeakPolarHBondContact O-CG 2.97Å; E402-K406 PolarHBondContact O-N 3.18Å |
| 403 | A | 91 | Very high | 83.2 | Confident | 43 Ų | 43 | 106.7 Ų | 106.7 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q399 R400 K401 K406 R407 | Q399-A403 VanDerWaalsContact O-CB 3.29Å; Q399-A403 WeakPolarHBondContact O-CB 3.46Å; Q399-A403 PolarHBondContact O-N 3.48Å; R400-A403 PolarHBondContact O-N 3.2Å; K401-A403 PolarHBondContact O-N 3.2Å; A403-K406 PolarHBondContact O-N 2.69Å; A403-R407 WeakPolarHBondContact O-CG 3.5Å; A403-R407 PolarHBondContact O-N 2.71Å |
| 404 | A | 90.9 | Very high | 82.2 | Confident | 34 Ų | 34 | 109.6 Ų | 109.6 | 28% | 0.281 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R400 K401 K406 R407 M408 | R400-A404 WeakPolarHBondContact O-CB 3.3Å; R400-A404 PolarHBondContact O-N 3.31Å; K401-A404 PolarHBondContact O-N 3.33Å; A404-K406 VanDerWaalsContact C-N 3.33Å; A404-K406 PolarHBondContact O-N 3.44Å; A404-R407 PolarHBondContact O-N 2.84Å; A404-R407 VanDerWaalsContact O-N 3.11Å; A404-M408 WeakPolarHBondContact O-CG 3.49Å; A404-M408 PolarHBondContact O-N 2.9Å |
| 405 | M | 86.6 | Confident | 81.3 | Confident | 132 Ų | 132 | 107.7 Ų | 107.7 | 65% | 0.65 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.1 | -41.3 | 175.4 | -71.5 | -179.3 | -174.2 | 0 | 0 | 112.4 | K401 E402 R407 M408 | K401-M405 WeakPolarHBondContact O-CG 3.44Å; K401-M405 PolarHBondContact O-N 3.39Å; E402-M405 PolarHBondContact O-N 2.96Å; M405-R407 VanDerWaalsContact C-N 3.33Å; M405-R407 PolarHBondContact O-N 3.14Å; M405-M408 PolarHBondContact O-N 3.39Å |
| 406 | K | 85.3 | Confident | 79.9 | Confident | 155 Ų | 155 | 106.8 Ų | 106.8 | 67% | 0.674 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.8 | -34.3 | 176.2 | -75.4 | 174.4 | -177.7 | 174 | 0 | 112.8 | E402 A403 A404 M408 V409 | E402-K406 WeakPolarHBondContact O-CG 2.97Å; E402-K406 PolarHBondContact O-N 3.18Å; A403-K406 PolarHBondContact O-N 2.69Å; A404-K406 VanDerWaalsContact C-N 3.33Å; A404-K406 PolarHBondContact O-N 3.44Å; K406-M408 VanDerWaalsContact C-N 3.34Å; K406-V409 PolarHBondContact O-N 2.89Å |
| 407 | R | 80.1 | Confident | 78.5 | Confident | 204 Ų | 204 | 113.8 Ų | 113.8 | 77% | 0.77 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.1 | -28.6 | 177 | -74 | 175.1 | -179.9 | 175.5 | 0.1 | 113 | A403 A404 M405 V409 | A403-R407 WeakPolarHBondContact O-CG 3.5Å; A403-R407 PolarHBondContact O-N 2.71Å; A404-R407 PolarHBondContact O-N 2.84Å; A404-R407 VanDerWaalsContact O-N 3.11Å; M405-R407 VanDerWaalsContact C-N 3.33Å; M405-R407 PolarHBondContact O-N 3.14Å; R407-V409 PolarHBondContact O-N 2.76Å |
| 408 | M | 70 | Confident | 77 | Confident | 82 Ų | 82 | 113 Ų | 113 | 40% | 0.404 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.8 | 174.5 | -63.1 | 179.7 | 91.8 | 0 | 0 | 113 | A404 M405 K406 K410 | A404-M408 WeakPolarHBondContact O-CG 3.49Å; A404-M408 PolarHBondContact O-N 2.9Å; M405-M408 PolarHBondContact O-N 3.39Å; K406-M408 VanDerWaalsContact C-N 3.34Å; M408-K410 PolarHBondContact O-N 2.91Å |
| 409 | V | 65.6 | Low | 75.3 | Confident | 71 Ų | 71 | 111 Ų | 111 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 85.9 | 174.7 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | K406 R407 V418 | K406-V409 PolarHBondContact O-N 2.89Å; R407-V409 PolarHBondContact O-N 2.76Å; V409-V418 HydrophobicContact CG1-CG1 3.61Å |
| 410 | K | 63.4 | Low | 73.6 | Confident | 105 Ų | 105 | 115.7 Ų | 115.7 | 46% | 0.457 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.4 | 172 | -71.1 | 173.6 | -177.5 | 157.3 | 0 | 108.9 | M408 N419 E421 | M408-K410 PolarHBondContact O-N 2.91Å; K410-N419 PolarHBondContact N-O 2.99Å; K410-N419 WeakPolarHBondContact O-CA 3.23Å; K410-N419 WeakPolarHBondContact O-CB 3.42Å; K410-N419 PolarHBondContact O-N 3.09Å; K410-E421 VanDerWaalsContact NZ-CD 3.28Å; K410-E421 IonicContact NZ-OE1 3.87Å; K410-E421 PolarHBondContact NZ-OE1 3.43Å; K410-E421 IonicContact NZ-OE2 2.63Å; K410-E421 PolarHBondContact NZ-OE2 2.95Å |
| 411 | V | 63.5 | Low | 71.8 | Confident | 82 Ų | 82 | 112.1 Ų | 112.1 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 119.8 | 168.7 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | R413 V418 | V411-R413 PolarHBondContact O-N 3.34Å; V411-V418 HydrophobicContact CG2-CG2 4.32Å |
| 412 | D | 61.1 | Low | 69.9 | Low | 50 Ų | 50 | 111.2 Ų | 111.2 | 27% | 0.267 | 55% | 0.554 | S | S | . | * | trans | -63.6 | 115.9 | 169.6 | 179.1 | -18.1 | 0 | 0 | 0 | 108.7 | I414 T415 G416 R417 | D412-I414 PolarHBondContact O-N 2.99Å; D412-I414 WeakPolarHBondContact OD1-CB 3.39Å; D412-I414 PolarHBondContact OD1-N 2.97Å; D412-T415 VanDerWaalsContact CB-OG1 3.26Å; D412-T415 WeakPolarHBondContact CB-OG1 3.37Å; D412-T415 PolarHBondContact OD1-N 3.09Å; D412-T415 WeakPolarHBondContact OD2-CG2 2.94Å; D412-T415 PolarHBondContact OD2-OG1 2.89Å; D412-G416 WeakPolarHBondContact O-CA 3.29Å; D412-G416 PolarHBondContact O-N 3.29Å; D412-R417 PolarHBondContact N-O 2.9Å | ||
| 413 | R | 66.2 | Low | 67.8 | Low | 253 Ų | 253 | 114.4 Ų | 114.4 | 96% | 0.955 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -19.4 | -177.2 | -76 | -176.3 | 166.8 | -175.7 | -3.6 | 113.6 | V411 | V411-R413 PolarHBondContact O-N 3.34Š|
| 414 | I | 67.7 | Low | 65.8 | Low | 161 Ų | 161 | 119.1 Ų | 119.1 | 83% | 0.826 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -40.9 | -177 | -58.5 | 174.1 | 0 | 0 | 0 | 110.3 | D412 | D412-I414 PolarHBondContact O-N 2.99Å; D412-I414 WeakPolarHBondContact OD1-CB 3.39Å; D412-I414 PolarHBondContact OD1-N 2.97Å |
| 415 | T | 69.4 | Low | 63.9 | Low | 90 Ų | 90 | 121.2 Ų | 121.2 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -9.1 | -174.7 | 63 | 0 | 0 | 0 | 0 | 113.9 | D412 R417 | D412-T415 VanDerWaalsContact CB-OG1 3.26Å; D412-T415 WeakPolarHBondContact CB-OG1 3.37Å; D412-T415 PolarHBondContact OD1-N 3.09Å; D412-T415 WeakPolarHBondContact OD2-CG2 2.94Å; D412-T415 PolarHBondContact OD2-OG1 2.89Å; T415-R417 PolarHBondContact O-N 2.94Å; T415-R417 VanDerWaalsContact O-N 3.11Å; T415-R417 VanDerWaalsContact OG1-CB 3.28Å; T415-R417 WeakPolarHBondContact OG1-CB 3.48Å; T415-R417 PolarHBondContact OG1-N 3.34Å |
| 416 | G | 64.5 | Low | 62.4 | Low | 56 Ų | 56 | 122.5 Ų | 122.5 | 58% | 0.577 | 61% | 0.614 | S | S | * | * | trans | 64.6 | 6.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D412 | D412-G416 WeakPolarHBondContact O-CA 3.29Å; D412-G416 PolarHBondContact O-N 3.29Å | ||
| 417 | R | 62.6 | Low | 60.8 | Low | 182 Ų | 182 | 122.6 Ų | 122.6 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | trans | -82.6 | 130 | -172.5 | -151.4 | 178.2 | -160.6 | -168.8 | 4.2 | 109.7 | D412 T415 N419 | D412-R417 PolarHBondContact N-O 2.9Å; T415-R417 PolarHBondContact O-N 2.94Å; T415-R417 VanDerWaalsContact O-N 3.11Å; T415-R417 VanDerWaalsContact OG1-CB 3.28Å; T415-R417 WeakPolarHBondContact OG1-CB 3.48Å; T415-R417 PolarHBondContact OG1-N 3.34Å; R417-N419 PolarHBondContact O-N 3.44Å | ||
| 418 | V | 61.3 | Low | 59.3 | Low | 78 Ų | 78 | 119.4 Ų | 119.4 | 47% | 0.473 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.8 | 106 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | V409 V411 R420 | V409-V418 HydrophobicContact CG1-CG1 3.61Å; V411-V418 HydrophobicContact CG2-CG2 4.32Å; V418-R420 HydrophobicContact CG1-CG 4.35Å; V418-R420 PolarHBondContact O-N 3.37Å |
| 419 | N | 60 | Low | 58.2 | Low | 72 Ų | 72 | 124 Ų | 124 | 39% | 0.385 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 104.3 | 168.7 | -66.8 | -26.1 | 0 | 0 | 0 | 107.5 | K410 R417 E421 | K410-N419 PolarHBondContact N-O 2.99Å; K410-N419 WeakPolarHBondContact O-CA 3.23Å; K410-N419 WeakPolarHBondContact O-CB 3.42Å; K410-N419 PolarHBondContact O-N 3.09Å; R417-N419 PolarHBondContact O-N 3.44Å; N419-E421 PolarHBondContact O-N 3.47Å |
| 420 | R | 58 | Low | 57.1 | Low | 210 Ų | 210 | 128 Ų | 128 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 103.3 | 160.1 | -65.3 | -179.6 | -177.9 | 164.1 | 0.3 | 105.5 | V418 A422 | V418-R420 HydrophobicContact CG1-CG 4.35Å; V418-R420 PolarHBondContact O-N 3.37Å; R420-A422 PolarHBondContact O-N 3.1Å; R420-A422 VanDerWaalsContact O-N 3.11Å |
| 421 | E | 56.1 | Low | 55.7 | Low | 106 Ų | 106 | 129.1 Ų | 129.1 | 50% | 0.495 | 67% | 0.667 | S | S | . | * | trans | -63.1 | 113.4 | 164.1 | -90.7 | 168.2 | 178.3 | 0 | 0 | 106.5 | K410 N419 | K410-E421 VanDerWaalsContact NZ-CD 3.28Å; K410-E421 IonicContact NZ-OE1 3.87Å; K410-E421 PolarHBondContact NZ-OE1 3.43Å; K410-E421 IonicContact NZ-OE2 2.63Å; K410-E421 PolarHBondContact NZ-OE2 2.95Å; N419-E421 PolarHBondContact O-N 3.47Å | ||
| 422 | A | 52.8 | Low | 54.6 | Low | 87 Ų | 87 | 129.6 Ų | 129.6 | 72% | 0.719 | 67% | 0.674 | S | S | * | * | trans | -71.8 | 127.6 | 179 | 0 | 0 | 0 | 0 | 0 | 109.3 | R420 L424 | R420-A422 PolarHBondContact O-N 3.1Å; R420-A422 VanDerWaalsContact O-N 3.11Å; A422-L424 PolarHBondContact O-N 3.35Å | ||
| 423 | D | 48.5 | Very low | 53.6 | Low | 150 Ų | 150 | 136.5 Ų | 136.5 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | trans | 27 | 89.1 | 160.4 | -64.8 | -19.3 | 0 | 0 | 0 | 116.2 | ||||
| 424 | L | 49.1 | Very low | 52.4 | Low | 142 Ų | 142 | 131.1 Ų | 131.1 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | trans | -76.3 | 121.5 | 150.2 | -67.7 | 173.2 | 0 | 0 | 0 | 106.8 | A422 | A422-L424 PolarHBondContact O-N 3.35Š| ||
| 425 | S | 49.6 | Very low | 50.9 | Low | 78 Ų | 78 | 131.9 Ų | 131.9 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | trans | -39.9 | 143.7 | 179.9 | 47.9 | 0 | 0 | 0 | 0 | 114.2 | E427 | S425-E427 PolarHBondContact O-N 3.04Š| ||
| 426 | D | 55.1 | Low | 49.3 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -55.1 | -0.9 | 179 | -69.7 | -36.4 | 0 | 0 | 0 | 115.9 | ||
| 427 | E | 52.3 | Low | 47.7 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -84.3 | -14.1 | -172.4 | -62.5 | -63.6 | 157.4 | 0 | 0 | 114.5 | S425 | S425-E427 PolarHBondContact O-N 3.04Š|
| 428 | D | 47.8 | Very low | 46.2 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -98.2 | 7.2 | 179.8 | -72.7 | -25.7 | 0 | 0 | 0 | 114.1 | L430 | D428-L430 PolarHBondContact O-N 2.87Å; D428-L430 VanDerWaalsContact O-N 3.12Å |
| 429 | Y | 46.9 | Very low | 44.8 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | trans | -84.1 | 28.8 | -179.8 | -137.9 | -89.5 | 0 | 0 | 0 | 114 | ||||
| 430 | L | 44 | Very low | 43.4 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -126.3 | 54.6 | 179.3 | -74.5 | 174.4 | 0 | 0 | 0 | 111.5 | D428 | D428-L430 PolarHBondContact O-N 2.87Å; D428-L430 VanDerWaalsContact O-N 3.12Å | ||
| 431 | C | 34.1 | Very low | 42.1 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 86% | 0.858 | 74% | 0.741 | S | S | * | * | trans | -163.6 | 80.2 | 167.3 | -104.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 432 | S | 40.3 | Very low | 40.9 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | -167.7 | 70 | 140 | 67.6 | 0 | 0 | 0 | 0 | 107.7 | D434 | S432-D434 PolarHBondContact O-N 3.37Š| ||
| 433 | E | 39.4 | Very low | 40.1 | Very low | 196 Ų | 196 | 147.1 Ų | 147.1 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -69.4 | 71.8 | 149 | -69.3 | -175.2 | 167.9 | 0 | 0 | 105.9 | E435 | E433-E435 PolarHBondContact O-N 3.09Š| ||
| 434 | D | 41.8 | Very low | 39.3 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -68.1 | 116.7 | 166.7 | -76.8 | -29.7 | 0 | 0 | 0 | 106.1 | S432 D436 | S432-D434 PolarHBondContact O-N 3.37Å; D434-D436 PolarHBondContact O-N 3.43Å | ||
| 435 | E | 36.2 | Very low | 38.6 | Very low | 177 Ų | 177 | 150.3 Ų | 150.3 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -53.3 | 99.6 | -175 | -57.4 | -173.8 | 154.2 | 0 | 0 | 112.2 | E433 | E433-E435 PolarHBondContact O-N 3.09Š| ||
| 436 | D | 35.2 | Very low | 37.6 | Very low | 152 Ų | 152 | 155.5 Ų | 155.5 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -107.8 | 46.1 | 151.8 | -77.6 | -34.6 | 0 | 0 | 0 | 109 | D434 F438 | D434-D436 PolarHBondContact O-N 3.43Å; D436-F438 PolarHBondContact O-N 3.32Å | ||
| 437 | I | 31.4 | Very low | 36.4 | Very low | 133 Ų | 133 | 153.1 Ų | 153.1 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | trans | -86.5 | 87.9 | 159.8 | -58.5 | -179.6 | 0 | 0 | 0 | 105.9 | I439 | I437-I439 HydrophobicContact CG2-CD1 4.22Å; I437-I439 HydrophobicContact CG2-CG1 3.48Å; I437-I439 VanDerWaalsContact CG2-CG1 3.48Å; I437-I439 PolarHBondContact O-N 2.96Å | ||
| 438 | F | 30.8 | Very low | 35.5 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -66.4 | 85 | 162.1 | -106.8 | -92.9 | 0 | 0 | 0 | 108.1 | D436 L440 | D436-F438 PolarHBondContact O-N 3.32Å; F438-L440 VanDerWaalsContact C-N 3.35Å; F438-L440 PolarHBondContact O-N 3.28Å; F438-L440 VanDerWaalsContact O-N 3.07Å | ||
| 439 | I | 31.6 | Very low | 34.8 | Very low | 126 Ų | 126 | 155.1 Ų | 155.1 | 65% | 0.646 | 79% | 0.789 | S | S | * | * | trans | -67.5 | 100.9 | 160.6 | -56.1 | -171.8 | 0 | 0 | 0 | 105.4 | I437 Q441 | I437-I439 HydrophobicContact CG2-CD1 4.22Å; I437-I439 HydrophobicContact CG2-CG1 3.48Å; I437-I439 VanDerWaalsContact CG2-CG1 3.48Å; I437-I439 PolarHBondContact O-N 2.96Å; I439-Q441 HydrophobicContact CG2-CG 4.09Å; I439-Q441 PolarHBondContact O-N 2.58Å | ||
| 440 | L | 30.7 | Very low | 33.8 | Very low | 138 Ų | 138 | 158.3 Ų | 158.3 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | trans | -67.6 | 86.7 | 163.6 | -70.3 | 172.1 | 0 | 0 | 0 | 107.6 | F438 E442 | F438-L440 VanDerWaalsContact C-N 3.35Å; F438-L440 PolarHBondContact O-N 3.28Å; F438-L440 VanDerWaalsContact O-N 3.07Å; L440-E442 PolarHBondContact O-N 2.92Å | ||
| 441 | Q | 31.6 | Very low | 33.2 | Very low | 169 Ų | 169 | 158.2 Ų | 158.2 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -79.4 | 108.6 | 155.6 | -90.5 | -177.5 | -25.6 | 0 | 0 | 107.4 | I439 S443 | I439-Q441 HydrophobicContact CG2-CG 4.09Å; I439-Q441 PolarHBondContact O-N 2.58Å; Q441-S443 PolarHBondContact O-N 3.27Å | ||
| 442 | E | 30.2 | Very low | 33.2 | Very low | 197 Ų | 197 | 159.4 Ų | 159.4 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -54 | 114.1 | 161.9 | -76.8 | 172.2 | 149.4 | 0 | 0 | 109 | L440 | L440-E442 PolarHBondContact O-N 2.92Š| ||
| 443 | S | 34.9 | Very low | 32.7 | Very low | 108 Ų | 108 | 166.8 Ų | 166.8 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -148.9 | 116.1 | 151.4 | 67.8 | 0 | 0 | 0 | 0 | 108.9 | Q441 K445 | Q441-S443 PolarHBondContact O-N 3.27Å; S443-K445 PolarHBondContact O-N 2.61Å | ||
| 444 | D | 31.5 | Very low | 32.5 | Very low | 154 Ų | 154 | 165.9 Ų | 165.9 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -32.3 | 125.6 | 165.9 | -75.2 | -47.4 | 0 | 0 | 0 | 113.2 | ||||
| 445 | K | 34.7 | Very low | 32.3 | Very low | 204 Ų | 204 | 166.6 Ų | 166.6 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | -171.1 | 115.1 | 124.9 | -97.2 | 149.8 | -168 | 179.8 | 0 | 110.5 | S443 | S443-K445 PolarHBondContact O-N 2.61Š| |||
| 446 | Q | 30.1 | Very low | 32.3 | Very low | 188 Ų | 188 | 167.7 Ų | 167.7 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -42.2 | 152.9 | 165.1 | -73.6 | 169.4 | -24 | 0 | 0 | 112.5 | ||||
| 447 | S | 29.1 | Very low | 32.1 | Very low | 108 Ų | 108 | 164 Ų | 164 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 87.4 | 91.2 | 165.7 | 75.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 448 | K | 32.6 | Very low | 32.6 | Very low | 189 Ų | 189 | 166.2 Ų | 166.2 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | 171.3 | 138.2 | 118.5 | -93.4 | 162.5 | -178.4 | 177.3 | 0 | 111.8 | |||||
| 449 | L | 32.9 | Very low | 32.7 | Very low | 148 Ų | 148 | 165.1 Ų | 165.1 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | trans | 72.5 | 93.5 | 155.1 | -58.9 | 149.3 | 0 | 0 | 0 | 114.7 | ||||
| 450 | R | 27.7 | Very low | 32.7 | Very low | 244 Ų | 244 | 168.2 Ų | 168.2 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | 49.7 | 66 | 59.4 | -128.2 | -169.2 | -164.4 | -179.2 | 4.4 | 112.3 | |||||
| 451 | L | 31.2 | Very low | 32.9 | Very low | 154 Ų | 154 | 169.9 Ų | 169.9 | 81% | 0.806 | 84% | 0.841 | S | S | * | * | trans | -174 | 150.7 | 153.5 | -102 | 140.5 | 0 | 0 | 0 | 109.3 | ||||
| 452 | N | 33.2 | Very low | 32.9 | Very low | 153 Ų | 153 | 167.1 Ų | 167.1 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | 88.3 | 54.5 | -176.6 | -51.2 | -15.6 | 0 | 0 | 0 | 115.3 | ||||
| 453 | R | 30 | Very low | 33.2 | Very low | 246 Ų | 246 | 164 Ų | 164 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | trans | -120.5 | 54.9 | 160.2 | -152.2 | -179.7 | -166.4 | 174.4 | 4.3 | 109.2 | ||||
| 454 | E | 34.3 | Very low | 32.9 | Very low | 177 Ų | 177 | 165.1 Ų | 165.1 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | trans | -163 | 120.9 | 174.6 | -102.9 | 162.9 | -149.8 | 0 | 0 | 105.7 | ||||
| 455 | I | 38.2 | Very low | 32.8 | Very low | 155 Ų | 155 | 164.5 Ų | 164.5 | 80% | 0.795 | 83% | 0.828 | S | S | * | * | S | Bend | trans | 127.5 | 117.1 | 179.3 | -65.7 | 155.3 | 0 | 0 | 0 | 108 | ||
| 456 | F | 37.5 | Very low | 32.8 | Very low | 199 Ų | 199 | 163.1 Ų | 163.1 | 87% | 0.873 | 83% | 0.825 | S | S | * | * | trans | 86.5 | 70.8 | -163.8 | -59.3 | -73.2 | 0 | 0 | 0 | 115.1 | L458 | F456-L458 PolarHBondContact O-N 2.86Š| ||
| 457 | G | 30.3 | Very low | 32.8 | Very low | 75 Ų | 75 | 163.3 Ų | 163.3 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -71.9 | 111.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 458 | L | 41 | Very low | 33.2 | Very low | 180 Ų | 180 | 169.7 Ų | 169.7 | 94% | 0.942 | 83% | 0.834 | S | S | * | * | trans | -140.8 | 86.4 | 146.4 | -78 | 179.3 | 0 | 0 | 0 | 106.4 | F456 | F456-L458 PolarHBondContact O-N 2.86Š| ||
| 459 | N | 32.8 | Very low | 33.3 | Very low | 155 Ų | 155 | 165.8 Ų | 165.8 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | -98.1 | 137.8 | 174.2 | -112.5 | -15.7 | 0 | 0 | 0 | 109.3 | ||||
| 460 | K | 32.8 | Very low | 33.3 | Very low | 191 Ų | 191 | 164.6 Ų | 164.6 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | trans | 73.6 | 95.4 | 161.6 | -62.9 | -179.2 | 176.8 | -177.8 | 0 | 117.8 | ||||
| 461 | L | 35 | Very low | 33.8 | Very low | 173 Ų | 173 | 160 Ų | 160 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | -140 | 105.3 | 131.4 | -92.4 | 165.8 | 0 | 0 | 0 | 108.1 | ||||
| 462 | S | 30.5 | Very low | 34.3 | Very low | 111 Ų | 111 | 160.3 Ų | 160.3 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | trans | -77.6 | 120.7 | 165.4 | 52.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 463 | V | 36.1 | Very low | 34.3 | Very low | 132 Ų | 132 | 160.7 Ų | 160.7 | 80% | 0.8 | 84% | 0.837 | S | S | * | * | trans | -141.8 | 123.7 | 159.2 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 464 | N | 29.2 | Very low | 34.5 | Very low | 131 Ų | 131 | 156.2 Ų | 156.2 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | trans | -70 | 158.5 | -178.6 | -73 | -18.1 | 0 | 0 | 0 | 112.9 | ||||
| 465 | D | 30.2 | Very low | 34.6 | Very low | 141 Ų | 141 | 155.1 Ų | 155.1 | 75% | 0.754 | 83% | 0.832 | S | S | * | * | trans | 50.7 | 115.1 | 144 | -50.9 | -26.8 | 0 | 0 | 0 | 119.5 | ||||
| 466 | E | 33.5 | Very low | 34.3 | Very low | 176 Ų | 176 | 155.1 Ų | 155.1 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | 178.1 | 103.6 | 120.1 | -98.1 | -179.7 | 170.1 | 0 | 0 | 111.2 | |||||
| 467 | E | 30.3 | Very low | 34.1 | Very low | 192 Ų | 192 | 152.3 Ų | 152.3 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | 21.7 | 107.4 | 130.1 | -145.2 | 165.2 | -162.8 | 0 | 0 | 117.8 | ||||
| 468 | W | 38.8 | Very low | 34.4 | Very low | 242 Ų | 242 | 157.5 Ų | 157.5 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 127.7 | 167 | -79.8 | 81.3 | 0 | 0 | 0 | 110.5 | ||
| 469 | P | 33.8 | Very low | 33.9 | Very low | 107 Ų | 107 | 155.9 Ų | 155.9 | 70% | 0.695 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 139.6 | 177.8 | 31.4 | -31.8 | 0 | 0 | 0 | 111.2 | L471 | P469-L471 PolarHBondContact O-N 3.43Š|
| 470 | S | 32.8 | Very low | 34 | Very low | 122 Ų | 122 | 155.9 Ų | 155.9 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 125.2 | 165.5 | -31.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 471 | L | 39.3 | Very low | 34.1 | Very low | 147 Ų | 147 | 153 Ų | 153 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 148.3 | 164.7 | -73.9 | 172.8 | 0 | 0 | 0 | 109.6 | K278 P469 | K278-L471 PolarHBondContact NZ-O 3.43Å; P469-L471 PolarHBondContact O-N 3.43Å |
| 472 | P | 40.1 | Very low | 34 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 100% | 1.052 | 82% | 0.822 | S | S | * | * | trans | -47.9 | 0 | -162.1 | 14 | -28.9 | 0 | 0 | 0 | 115 | K278 | K278-P472 PolarHBondContact NZ-O 3.32Å; K278-P472 PolarHBondContact NZ-OXT 3.34Å |
Retrieved 472 of 472 residues in 1998.2 ms
(Link to these results)