| 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 | 37.8 | Very low | 33.8 | Very low | 235 Ų | 235 | 162 Ų | 162 | 100% | 1.158 | 82% | 0.819 | S | S | * | * | 0 | 78.8 | 0 | -60.7 | -154.1 | -83.7 | 0 | 0 | 107.3 | |||||
| 2 | S | 32.6 | Very low | 34 | Very low | 98 Ų | 98 | 155.6 Ų | 155.6 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | 78.1 | 91.9 | 83.9 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 3 | H | 36.4 | Very low | 33.8 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | 165 | 107.1 | 111 | -98.3 | -86.8 | 0 | 0 | 0 | 111 | |||||
| 4 | Q | 32.2 | Very low | 33.8 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | -65.3 | 144.4 | 155.2 | -80.9 | 163.2 | -52.6 | 0 | 0 | 109.6 | ||||
| 5 | A | 38.2 | Very low | 33.6 | Very low | 104 Ų | 104 | 141 Ų | 141 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -128.3 | 101.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 6 | Q | 31.1 | Very low | 33.4 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -77.8 | 145.9 | 164.2 | -72.9 | 170 | -46.8 | 0 | 0 | 109.3 | ||||
| 7 | F | 34.1 | Very low | 33 | Very low | 215 Ų | 215 | 139.2 Ų | 139.2 | 94% | 0.943 | 75% | 0.751 | S | S | * | * | trans | -137.6 | 138.1 | 158.6 | -135.2 | -90.7 | 0 | 0 | 0 | 111.8 | ||||
| 8 | Q | 33.6 | Very low | 32.6 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -82.3 | 143.1 | -159.5 | -70.1 | -165.3 | -33.2 | 0 | 0 | 115.1 | ||||
| 9 | L | 27.9 | Very low | 32.7 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -88.6 | 122.8 | 158.8 | -91.4 | 151.5 | 0 | 0 | 0 | 109.1 | ||||
| 10 | Q | 36.7 | Very low | 32.7 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -108.6 | 138.7 | 164.9 | -94.1 | -173 | -14.4 | 0 | 0 | 110.8 | ||||
| 11 | Q | 31.1 | Very low | 32.6 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 51% | 0.509 | 75% | 0.753 | S | S | . | * | trans | -122.3 | 129.2 | -167.1 | -141.6 | -167.9 | 44.8 | 0 | 0 | 105.5 | L36 | Q11-L36 VanDerWaalsContact C-CD1 3.42Å; Q11-L36 HydrophobicContact CB-CD1 3.4Å; Q11-L36 HydrophobicContact CG-CD1 3.35Å; Q11-L36 HydrophobicContact CG-CD2 4.29Å; Q11-L36 WeakPolarHBondContact O-CB 3.41Å | ||
| 12 | I | 36.6 | Very low | 32.5 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 44% | 0.436 | 73% | 0.731 | S | S | . | * | trans | -140.2 | 126 | 176.9 | -66.5 | 168.1 | 0 | 0 | 0 | 117.2 | Y34 T35 L36 | I12-Y34 WeakPolarHBondContact CD1-O 3.47Å; I12-Y34 HydrophobicContact CG2-CG 4.26Å; I12-T35 VanDerWaalsContact CG2-N 3.34Å; I12-L36 VanDerWaalsContact CA-CG 3.42Å; I12-L36 HydrophobicContact CB-CB 4.25Å; I12-L36 VanDerWaalsContact N-CD2 3.29Å; I12-L36 WeakPolarHBondContact O-CD2 3.41Å | ||
| 13 | A | 31 | Very low | 32.4 | Very low | 42 Ų | 42 | 132 Ų | 132 | 35% | 0.347 | 74% | 0.738 | S | S | . | * | trans | -144.1 | 144.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L36 V37 | A13-L36 VanDerWaalsContact CA-CG 3.46Å; A13-L36 HydrophobicContact CB-CB 3.87Å; A13-L36 HydrophobicContact CB-CD1 4.44Å; A13-L36 HydrophobicContact CB-CD2 3.06Å; A13-L36 HydrophobicContact CB-CG 3.07Å; A13-L36 VanDerWaalsContact O-CA 3.22Å; A13-L36 WeakPolarHBondContact O-CA 3.43Å; A13-V37 PolarHBondContact O-N 2.96Å | ||
| 14 | G | 33.7 | Very low | 32.4 | Very low | 64 Ų | 64 | 131.3 Ų | 131.3 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | trans | 160.1 | 100.5 | 163 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 15 | V | 31 | Very low | 32.6 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | 45.1 | 114.2 | 96.8 | -171.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 16 | I | 30.1 | Very low | 32.3 | Very low | 159 Ų | 159 | 135 Ų | 135 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | trans | 163.2 | 101.1 | 150.4 | -83.6 | 154.6 | 0 | 0 | 0 | 104.5 | ||||
| 17 | S | 26.5 | Very low | 32.6 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | 58.3 | 120.9 | 92.8 | -170.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 18 | S | 27.1 | Very low | 32.7 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | 49.7 | 128 | 149 | 61.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 19 | V | 33.1 | Very low | 32.8 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | 156.3 | 110.6 | 127.1 | 165.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 20 | V | 32.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 74% | 0.739 | 73% | 0.733 | S | S | * | * | trans | 10.9 | 128.1 | 132.6 | -169.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 21 | P | 30.5 | Very low | 33 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 84% | 0.844 | 73% | 0.728 | S | S | * | * | trans | -97.9 | 125.2 | 167.2 | 33.2 | -23.7 | 0 | 0 | 0 | 111.4 | ||||
| 22 | A | 35.3 | Very low | 32.9 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | -131.9 | 120.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 23 | E | 32.4 | Very low | 32.7 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | 47 | 115.6 | 146.1 | -80 | 175.1 | 155.3 | 0 | 0 | 121.2 | ||||
| 24 | L | 35.8 | Very low | 32.6 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | 161.9 | 160.9 | 111.7 | -88.8 | 142.6 | 0 | 0 | 0 | 113.2 | |||||
| 25 | R | 37 | Very low | 32.4 | Very low | 235 Ų | 235 | 141.8 Ų | 141.8 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -69.1 | 170 | -156.4 | -78 | -177.8 | -177.1 | -170 | 1.9 | 117.6 | ||||
| 26 | P | 31.9 | Very low | 32.3 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -101.7 | 146.4 | -160.3 | 37.3 | -29 | 0 | 0 | 0 | 114.6 | ||||
| 27 | S | 36.3 | Very low | 32.4 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -164.7 | 135.7 | 148.1 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 28 | S | 36.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | 69.3 | 110.6 | 150.6 | 59.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 29 | I | 35.4 | Very low | 32.9 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 82% | 0.821 | 75% | 0.752 | S | S | * | * | 78.9 | 99.6 | 126.8 | -54.7 | 165.8 | 0 | 0 | 0 | 119.9 | |||||
| 30 | R | 34 | Very low | 32.9 | Very low | 235 Ų | 235 | 142.2 Ų | 142.2 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | trans | 19.8 | 162.8 | 137.6 | -55.2 | -168.7 | 177.6 | -141.7 | 2.3 | 122.5 | ||||
| 31 | P | 33.8 | Very low | 32.9 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | -140.1 | 176.3 | -58.6 | 40.9 | -21.9 | 0 | 0 | 0 | 114.5 | |||||
| 32 | N | 29.8 | Very low | 33 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 70.3 | 123.2 | 158.5 | -72.5 | -11.7 | 0 | 0 | 0 | 121.3 | ||||
| 33 | I | 33.2 | Very low | 32.9 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | -178.6 | 133 | 110.5 | -83.6 | 150.4 | 0 | 0 | 0 | 108 | |||||
| 34 | Y | 28 | Very low | 33.2 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | -120.4 | 162.4 | 168.8 | -68.9 | -95.4 | 0 | 0 | 0 | 109.3 | I12 | I12-Y34 WeakPolarHBondContact CD1-O 3.47Å; I12-Y34 HydrophobicContact CG2-CG 4.26Å | ||
| 35 | T | 30.2 | Very low | 33.2 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | trans | -135.6 | 134.1 | 168.7 | -58.1 | 0 | 0 | 0 | 0 | 112 | I12 | I12-T35 VanDerWaalsContact CG2-N 3.34Š| ||
| 36 | L | 28.6 | Very low | 33 | Very low | 47 Ų | 47 | 136.4 Ų | 136.4 | 25% | 0.246 | 74% | 0.737 | C | S | . | * | trans | -86.4 | 146.3 | 170.6 | -138.2 | -167.8 | 0 | 0 | 0 | 109.5 | Q11 I12 A13 | Q11-L36 VanDerWaalsContact C-CD1 3.42Å; Q11-L36 HydrophobicContact CB-CD1 3.4Å; Q11-L36 HydrophobicContact CG-CD1 3.35Å; Q11-L36 HydrophobicContact CG-CD2 4.29Å; Q11-L36 WeakPolarHBondContact O-CB 3.41Å; I12-L36 VanDerWaalsContact CA-CG 3.42Å; I12-L36 HydrophobicContact CB-CB 4.25Å; I12-L36 VanDerWaalsContact N-CD2 3.29Å; I12-L36 WeakPolarHBondContact O-CD2 3.41Å; A13-L36 VanDerWaalsContact CA-CG 3.46Å; A13-L36 HydrophobicContact CB-CB 3.87Å; A13-L36 HydrophobicContact CB-CD1 4.44Å; A13-L36 HydrophobicContact CB-CD2 3.06Å; A13-L36 HydrophobicContact CB-CG 3.07Å; A13-L36 VanDerWaalsContact O-CA 3.22Å; A13-L36 WeakPolarHBondContact O-CA 3.43Å | ||
| 37 | V | 31.7 | Very low | 33.3 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | -127 | 137.4 | 143.9 | -177.8 | 0 | 0 | 0 | 0 | 110 | A13 | A13-V37 PolarHBondContact O-N 2.96Š| ||
| 38 | R | 30.8 | Very low | 33.3 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | trans | -78.2 | 149.6 | -175 | -113.8 | 175.4 | 172.5 | 155.4 | -4.1 | 113 | ||||
| 39 | I | 34.1 | Very low | 33.4 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -84.7 | 163.8 | 168.2 | -53.8 | 158.6 | 0 | 0 | 0 | 109.9 | ||||
| 40 | P | 32 | Very low | 33.4 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -124.2 | 128 | 140.6 | 33.1 | -20.6 | 0 | 0 | 0 | 112.6 | ||||
| 41 | C | 32.7 | Very low | 33.5 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 78% | 0.777 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 135.9 | 165.6 | -57.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 42 | F | 33.3 | Very low | 33.6 | Very low | 198 Ų | 198 | 133.6 Ų | 133.6 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 139.1 | -179.8 | -145.8 | -99.4 | 0 | 0 | 0 | 111.4 | ||
| 43 | V | 33.6 | Very low | 33.7 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 65% | 0.648 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 146.7 | 173.7 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | ||
| 44 | N | 38.2 | Very low | 33.6 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -149.8 | 127.4 | 141.5 | -97.6 | -17.4 | 0 | 0 | 0 | 112.2 | ||||
| 45 | N | 36.3 | Very low | 33.8 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -41.1 | 173.2 | 162.6 | -75.8 | -18.3 | 0 | 0 | 0 | 114 | ||||
| 46 | A | 33.1 | Very low | 33.6 | Very low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | cis | 175.4 | 169.1 | -21.9 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 47 | V | 38.5 | Very low | 33.8 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | trans | 96.5 | 130.1 | 160.6 | -168.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 48 | S | 34.9 | Very low | 33.7 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -108 | -175.3 | -177.7 | -34.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 49 | P | 38.8 | Very low | 33.9 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | -117.3 | 171 | -122.8 | 33.8 | -13.1 | 0 | 0 | 0 | 116.1 | |||||
| 50 | S | 35.9 | Very low | 33.9 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -157.7 | 153.9 | 158.9 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 51 | H | 35.5 | Very low | 34.2 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -32 | 147.7 | -177.7 | -65.2 | -96.1 | 0 | 0 | 0 | 121.2 | ||||
| 52 | A | 35.4 | Very low | 34.3 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | 142.4 | 133.6 | 112 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 53 | S | 32.8 | Very low | 34.4 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 84 | 106.4 | 140.9 | -54.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 54 | T | 30.3 | Very low | 34.4 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -15.2 | 139.8 | 145.9 | -47.8 | 0 | 0 | 0 | 0 | 120 | V56 | T54-V56 HydrophobicContact CG2-CG2 4.34Š| ||
| 55 | Q | 33.7 | Very low | 34.3 | Very low | 200 Ų | 200 | 132 Ų | 132 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | trans | -150.6 | 146.3 | 132 | -72.5 | -157.8 | -4.3 | 0 | 0 | 112.1 | ||||
| 56 | V | 25.9 | Very low | 34.1 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 67% | 0.667 | 79% | 0.792 | S | S | * | * | trans | -104.5 | 145.4 | -169.3 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | T54 | T54-V56 HydrophobicContact CG2-CG2 4.34Š| ||
| 57 | I | 33.2 | Very low | 34.2 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -139.4 | 120 | 154.9 | -59.9 | -178.6 | 0 | 0 | 0 | 109.7 | ||||
| 58 | Q | 28.9 | Very low | 34.1 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -97.6 | 145.5 | 165.7 | -84.5 | -176.3 | -65.8 | 0 | 0 | 109.9 | ||||
| 59 | V | 35.3 | Very low | 34.3 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -132.2 | 138.5 | 156.3 | -177 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 60 | I | 34.3 | Very low | 33.9 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 67% | 0.672 | 80% | 0.802 | S | S | * | * | trans | -103.1 | 156.4 | -160.4 | -69.1 | 159 | 0 | 0 | 0 | 112.1 | ||||
| 61 | S | 38.2 | Very low | 34 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 75.6 | 141.2 | 151.5 | 58.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 62 | G | 34 | Very low | 34 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | -170.7 | 173 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 63 | P | 34.9 | Very low | 33.9 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -102.2 | 164.9 | -167 | 38.6 | -31.6 | 0 | 0 | 0 | 113.4 | ||||
| 64 | T | 34.9 | Very low | 33.9 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | trans | -174.9 | 128.1 | 147.5 | -70.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 65 | E | 35.4 | Very low | 34.2 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | 39.2 | 118.7 | 150.3 | -67.2 | 171.3 | 150.3 | 0 | 0 | 121.9 | ||||
| 66 | A | 33 | Very low | 34.1 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | 83.6 | 112.6 | 71.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 67 | S | 34.8 | Very low | 34.6 | Very low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | 176.6 | 152.2 | 121.1 | -152.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 68 | L | 35.5 | Very low | 34.7 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -73 | 147.9 | -166.1 | -66.3 | 73.2 | 0 | 0 | 0 | 114.9 | ||||
| 69 | V | 39.1 | Very low | 35.1 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -151.8 | 131.5 | 130.8 | -162.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 70 | T | 32 | Very low | 34.8 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -48.8 | 145 | 174.6 | 10.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 71 | S | 36.6 | Very low | 34.5 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -129.3 | 130.6 | 158.3 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 72 | P | 36.8 | Very low | 34.2 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | trans | -92.1 | 160.7 | 174.3 | 34.3 | -30.5 | 0 | 0 | 0 | 113.5 | ||||
| 73 | S | 31.8 | Very low | 34 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -73.7 | -178.2 | -175.9 | -144 | 0 | 0 | 0 | 0 | 114 | ||||
| 74 | P | 34.5 | Very low | 34.3 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | -102.7 | 128.2 | -120.2 | 26.7 | -4.5 | 0 | 0 | 0 | 113 | |||
| 75 | A | 36.3 | Very low | 34.5 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 120.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V77 | A75-V77 PolarHBondContact O-N 3.24Š|
| 76 | E | 31.8 | Very low | 35.4 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 124.1 | 172.1 | -65.7 | 172 | 138.7 | 0 | 0 | 111.6 | V78 | E76-V78 PolarHBondContact O-N 3.36Š|
| 77 | V | 35.7 | Very low | 37 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -92.2 | 98.9 | 163.5 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | A75 V79 | A75-V77 PolarHBondContact O-N 3.24Å; V77-V79 HydrophobicContact CG1-CG2 3.98Å; V77-V79 PolarHBondContact O-N 2.92Å | ||
| 78 | V | 34.3 | Very low | 39.1 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -64.9 | 108.9 | 164.6 | 179.7 | 0 | 0 | 0 | 0 | 107 | E76 | E76-V78 PolarHBondContact O-N 3.36Š| ||
| 79 | V | 37.7 | Very low | 41.6 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -97.1 | 112.4 | 172 | -174.8 | 0 | 0 | 0 | 0 | 107.2 | V77 G81 | V77-V79 HydrophobicContact CG1-CG2 3.98Å; V77-V79 PolarHBondContact O-N 2.92Å; V79-G81 PolarHBondContact O-N 3.1Å | ||
| 80 | D | 30.2 | Very low | 44.1 | Very low | 151 Ų | 151 | 117.8 Ų | 117.8 | 81% | 0.807 | 71% | 0.71 | S | S | * | * | trans | -45.8 | 119.2 | 173.8 | -98.1 | -37.2 | 0 | 0 | 0 | 111.8 | A82 | D80-A82 PolarHBondContact O-N 3.16Š| ||
| 81 | G | 28 | Very low | 47.1 | Very low | 88 Ų | 88 | 117.8 Ų | 117.8 | 91% | 0.907 | 70% | 0.695 | S | S | * | * | trans | -88.8 | 66.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V79 | V79-G81 PolarHBondContact O-N 3.1Š| ||
| 82 | A | 30.5 | Very low | 49.9 | Very low | 79 Ų | 79 | 113.8 Ų | 113.8 | 65% | 0.653 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -126.9 | -0.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | D80 | D80-A82 PolarHBondContact O-N 3.16Š|
| 83 | D | 31.1 | Very low | 52.7 | Low | 161 Ų | 161 | 114.8 Ų | 114.8 | 86% | 0.861 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -145.1 | 24.7 | -173.7 | -87.4 | -36 | 0 | 0 | 0 | 117.4 | ||
| 84 | L | 41.3 | Very low | 55.8 | Low | 116 Ų | 116 | 111.5 Ų | 111.5 | 61% | 0.607 | 63% | 0.626 | S | S | * | * | trans | -113.6 | 54.7 | -179.9 | -71.9 | 168.1 | 0 | 0 | 0 | 113.6 | Y256 L260 | L84-Y256 HydrophobicContact CD2-CE1 4.14Å; L84-Y256 WeakPolarHBondContact CD2-OH 3.33Å; L84-L260 HydrophobicContact CD1-CD1 3.79Å; L84-L260 HydrophobicContact CD2-CD1 4.11Å; L84-L260 HydrophobicContact CD2-CD2 3.87Å | ||
| 85 | Q | 39.3 | Very low | 58.8 | Low | 197 Ų | 197 | 105.9 Ų | 105.9 | 92% | 0.921 | 59% | 0.59 | S | S | * | * | trans | -106.1 | 31.5 | 157.3 | -79.7 | -176.3 | 3.9 | 0 | 0 | 111.8 | K87 | Q85-K87 PolarHBondContact O-N 2.99Š| ||
| 86 | G | 53.3 | Low | 61.7 | Low | 39 Ų | 39 | 102 Ų | 102 | 40% | 0.402 | 56% | 0.556 | S | S | . | * | trans | -71 | 91.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I88 | G86-I88 PolarHBondContact O-N 3.45Š| ||
| 87 | K | 65.8 | Low | 64.9 | Low | 207 Ų | 207 | 93.3 Ų | 93.3 | 90% | 0.9 | 52% | 0.515 | S | S | * | . | trans | -50.2 | 102.2 | 174.8 | -176.7 | 177.9 | -178.5 | 176.7 | 0 | 110 | Q85 D89 | Q85-K87 PolarHBondContact O-N 2.99Å; K87-D89 PolarHBondContact O-N 2.99Å | ||
| 88 | I | 80.1 | Confident | 67.8 | Low | 50 Ų | 50 | 88.1 Ų | 88.1 | 26% | 0.256 | 48% | 0.483 | S | S | . | . | trans | -68.4 | 121.6 | 177.5 | -58.7 | 174.3 | 0 | 0 | 0 | 108 | G86 L90 C189 M252 Y256 | G86-I88 PolarHBondContact O-N 3.45Å; I88-L90 PolarHBondContact O-N 3.27Å; I88-L90 VanDerWaalsContact O-N 3.09Å; I88-C189 HydrophobicContact CG2-CB 4.48Å; I88-C189 WeakPolarHBondContact CG2-SG 3.4Å; I88-M252 HydrophobicContact CD1-CE 4.27Å; I88-Y256 HydrophobicContact CD1-CD1 4.35Å; I88-Y256 HydrophobicContact CD1-CD2 3.39Å; I88-Y256 HydrophobicContact CD1-CE1 4.26Å; I88-Y256 HydrophobicContact CD1-CE2 3.29Å; I88-Y256 HydrophobicContact CD1-CG 3.94Å; I88-Y256 HydrophobicContact CG1-CE2 4.04Å | ||
| 89 | D | 87.2 | Confident | 70.9 | Confident | 71 Ų | 71 | 82.3 Ų | 82.3 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 88.3 | 177.9 | -173.7 | 19.6 | 0 | 0 | 0 | 110.1 | K87 R91 C189 | K87-D89 PolarHBondContact O-N 2.99Å; D89-R91 VanDerWaalsContact CG-NE 3.28Å; D89-R91 WeakPolarHBondContact OD1-CG 3.41Å; D89-R91 IonicContact OD1-CZ 2.87Å; D89-R91 IonicContact OD1-NE 2.75Å; D89-R91 PolarHBondContact OD1-NE 3.13Å; D89-R91 IonicContact OD1-NH2 3.16Å; D89-R91 IonicContact OD2-CZ 2.9Å; D89-R91 IonicContact OD2-NE 3.23Å; D89-R91 PolarHBondContact OD2-NE 3.02Å; D89-R91 IonicContact OD2-NH2 3.78Å; D89-R91 PolarHBondContact OD2-NH2 2.9Å; D89-C189 WeakPolarHBondContact O-CA 3.35Å |
| 90 | L | 93 | Very high | 73.7 | Confident | 46 Ų | 46 | 78.9 Ų | 78.9 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.9 | 172.6 | -175.5 | 74.5 | 0 | 0 | 0 | 109.9 | I88 A187 C189 I239 V248 L249 | I88-L90 PolarHBondContact O-N 3.27Å; I88-L90 VanDerWaalsContact O-N 3.09Å; L90-A187 HydrophobicContact CD1-CB 4.22Å; L90-C189 HydrophobicContact CD1-CB 3.9Å; L90-I239 HydrophobicContact CD1-CD1 4.3Å; L90-V248 HydrophobicContact CD1-CG1 3.96Å; L90-V248 HydrophobicContact CD2-CG1 4.03Å; L90-V248 HydrophobicContact CG-CG1 4.47Å; L90-L249 HydrophobicContact CD2-CD2 3.48Å; L90-L249 VanDerWaalsContact CD2-CD2 3.48Å; L90-L249 HydrophobicContact CD2-CG 4.23Å |
| 91 | R | 94.5 | Very high | 76.9 | Confident | 136 Ų | 136 | 71.7 Ų | 71.7 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.5 | 178.5 | -57.9 | -169.8 | -172.1 | -174.6 | 7.9 | 111.9 | D89 R93 A187 S188 | D89-R91 VanDerWaalsContact CG-NE 3.28Å; D89-R91 WeakPolarHBondContact OD1-CG 3.41Å; D89-R91 IonicContact OD1-CZ 2.87Å; D89-R91 IonicContact OD1-NE 2.75Å; D89-R91 PolarHBondContact OD1-NE 3.13Å; D89-R91 IonicContact OD1-NH2 3.16Å; D89-R91 IonicContact OD2-CZ 2.9Å; D89-R91 IonicContact OD2-NE 3.23Å; D89-R91 PolarHBondContact OD2-NE 3.02Å; D89-R91 IonicContact OD2-NH2 3.78Å; D89-R91 PolarHBondContact OD2-NH2 2.9Å; R91-R93 PolarHBondContact O-N 3.22Å; R91-A187 CarbonylContact O-C 3.58Å; R91-A187 WeakPolarHBondContact O-CA 3.42Å; R91-S188 PolarHBondContact N-O 3.22Å; R91-S188 PolarHBondContact O-N 3.34Å |
| 92 | V | 95.6 | Very high | 80.1 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 19% | 0.194 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 124.5 | 167.7 | -179.2 | 0 | 0 | 0 | 0 | 109 | V95 T151 M185 | V92-V95 HydrophobicContact CG1-CG2 3.64Å; V92-T151 WeakPolarHBondContact CG1-O 3.09Å; V92-M185 HydrophobicContact CG1-CG 3.91Å; V92-M185 HydrophobicContact CG1-SD 4.13Å; V92-M185 HydrophobicContact CG2-SD 3.95Å |
| 93 | R | 95.4 | Very high | 83.1 | Confident | 151 Ų | 151 | 68 Ų | 68 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -36.8 | -177.1 | -68 | -64.3 | -172.3 | 147.8 | 0.8 | 112.5 | R91 M186 S188 | R91-R93 PolarHBondContact O-N 3.22Å; R93-M186 HydrophobicContact CB-CG 4.48Å; R93-M186 PolarHBondContact N-O 3.25Å; R93-S188 WeakPolarHBondContact CG-OG 3.24Å; R93-S188 PolarHBondContact NE-OG 2.88Å; R93-S188 PolarHBondContact NH2-OG 2.82Å |
| 94 | N | 96.5 | Very high | 86.1 | Confident | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 137 | -177.5 | -177.6 | 26.3 | 0 | 0 | 0 | 110.7 | G149 A150 M185 M186 | N94-G149 VanDerWaalsContact OD1-CA 3.29Å; N94-G149 WeakPolarHBondContact OD1-CA 3.46Å; N94-G149 PolarHBondContact OD1-N 2.94Å; N94-A150 CarbonylContact C-O 3.6Å; N94-A150 WeakPolarHBondContact CA-O 3.48Å; N94-M185 WeakPolarHBondContact O-CA 3.5Å; N94-M186 HydrophobicContact CB-CB 4.24Å; N94-M186 PolarHBondContact N-O 3.44Å; N94-M186 PolarHBondContact O-N 3.18Å |
| 95 | V | 97.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.6 | 173 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | V92 A150 A156 I182 M185 | V92-V95 HydrophobicContact CG1-CG2 3.64Å; V95-A150 HydrophobicContact CB-CB 4.32Å; V95-A150 PolarHBondContact N-O 3.25Å; V95-A156 HydrophobicContact CB-CB 4.29Å; V95-A156 HydrophobicContact CG1-CB 3.88Å; V95-I182 HydrophobicContact CG1-CD1 3.72Å; V95-I182 HydrophobicContact CG1-CG1 4.38Å; V95-I182 HydrophobicContact CG1-CG2 3.92Å; V95-M185 HydrophobicContact CG2-CE 4.18Å; V95-M185 HydrophobicContact CG2-CG 4.24Å |
| 96 | V | 97.5 | Very high | 91.2 | Very high | 18 Ų | 18 | 56.1 Ų | 56.1 | 11% | 0.109 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.1 | 177.3 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | I146 V147 T148 T183 N184 | V96-I146 HydrophobicContact CG1-CG2 3.77Å; V96-V147 WeakPolarHBondContact CA-O 3.31Å; V96-T148 HydrophobicContact CB-CG2 4.34Å; V96-T148 HydrophobicContact CG1-CG2 3.69Å; V96-T148 HydrophobicContact CG2-CG2 3.92Å; V96-T183 WeakPolarHBondContact CG1-OG1 3.25Å; V96-T183 PolarHBondContact O-N 2.98Å; V96-T183 PolarHBondContact O-OG1 3.37Å; V96-N184 HydrophobicContact CB-CB 4.27Å; V96-N184 HydrophobicContact CG2-CB 4.44Å; V96-N184 PolarHBondContact N-O 3.11Å; V96-N184 PolarHBondContact O-N 3.42Å |
| 97 | S | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 156.2 | 178.1 | 63.3 | 0 | 0 | 0 | 0 | 111.3 | I146 V147 S160 R181 | S97-I146 CarbonylContact O-C 3.59Å; S97-I146 WeakPolarHBondContact O-CA 3.21Å; S97-V147 PolarHBondContact N-O 3.04Å; S97-V147 PolarHBondContact O-N 2.96Å; S97-S160 PolarHBondContact OG-OG 2.98Å; S97-S160 VanDerWaalsContact OG-OG 3.04Å; S97-R181 CarbonylContact C-O 3.59Å; S97-R181 WeakPolarHBondContact CA-O 3.38Å |
| 98 | M | 98.2 | Very high | 94.6 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 9% | 0.089 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143.4 | -179 | -178 | 177 | 71.1 | 0 | 0 | 109.5 | K144 V145 I146 Y180 R181 T183 | M98-K144 HydrophobicContact CG-CG 4.42Å; M98-K144 HydrophobicContact SD-CD 4.32Å; M98-K144 WeakPolarHBondContact SD-CE 3.47Å; M98-K144 HydrophobicContact SD-CG 4.4Å; M98-V145 VanDerWaalsContact CA-O 3.29Å; M98-V145 WeakPolarHBondContact CA-O 3.46Å; M98-I146 HydrophobicContact CB-CG1 4.47Å; M98-I146 HydrophobicContact CG-CG1 4.06Å; M98-I146 HydrophobicContact SD-CG1 4.31Å; M98-Y180 CarbonylContact O-C 3.43Å; M98-Y180 WeakPolarHBondContact O-CA 3.34Å; M98-R181 HydrophobicContact CE-CG 4.23Å; M98-R181 PolarHBondContact N-O 3.28Å; M98-R181 PolarHBondContact O-N 3.34Å; M98-T183 HydrophobicContact CB-CG2 3.59Å; M98-T183 HydrophobicContact CE-CG2 3.91Å; M98-T183 HydrophobicContact SD-CG2 4.23Å |
| 99 | F | 98.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 169.3 | 175.2 | 67.5 | -85.3 | 0 | 0 | 0 | 110.3 | V101 V145 V147 S160 V163 A164 F177 A178 Y180 | F99-V101 HydrophobicContact CD2-CG1 4.34Å; F99-V101 HydrophobicContact CE2-CG1 3.73Å; F99-V145 HydrophobicContact CD1-CB 4.02Å; F99-V145 HydrophobicContact CD1-CG1 4.25Å; F99-V145 HydrophobicContact CD2-CB 4.29Å; F99-V145 HydrophobicContact CE1-CB 3.56Å; F99-V145 HydrophobicContact CE1-CG1 3.4Å; F99-V145 VanDerWaalsContact CE1-CG1 3.4Å; F99-V145 HydrophobicContact CE1-CG2 4.42Å; F99-V145 HydrophobicContact CE2-CB 3.85Å; F99-V145 HydrophobicContact CE2-CG1 4.33Å; F99-V145 HydrophobicContact CE2-CG2 3.89Å; F99-V145 HydrophobicContact CG-CB 4.38Å; F99-V145 HydrophobicContact CZ-CB 3.47Å; F99-V145 VanDerWaalsContact CZ-CB 3.47Å; F99-V145 HydrophobicContact CZ-CG1 3.46Å; F99-V145 VanDerWaalsContact CZ-CG1 3.46Å; F99-V145 HydrophobicContact CZ-CG2 3.83Å; F99-V145 PolarHBondContact N-O 2.86Å; F99-V145 PolarHBondContact O-N 2.77Å; F99-V147 HydrophobicContact CE1-CG2 3.98Å; F99-S160 WeakPolarHBondContact CZ-O 3.23Å; F99-V163 HydrophobicContact CZ-CB 4.11Å; F99-V163 HydrophobicContact CZ-CG1 4.09Å; F99-A164 HydrophobicContact CE2-CB 3.76Å; F99-A164 HydrophobicContact CZ-CB 4.17Å; F99-F177 HydrophobicContact CB-CD2 4.42Å; F99-F177 HydrophobicContact CB-CE2 4Å; F99-F177 HydrophobicContact CB-CZ 4.49Å; F99-F177 AromaticContact CD1-CE2 3.95Å; F99-F177 HydrophobicContact CD1-CE2 3.95Å; F99-F177 AromaticContact CD2-CD2 3.63Å; F99-F177 HydrophobicContact CD2-CD2 3.63Å; F99-F177 AromaticContact CD2-CE2 3.72Å; F99-F177 HydrophobicContact CD2-CE2 3.72Å; F99-F177 HydrophobicContact CE1-CE2 4.32Å; F99-F177 AromaticContact CE2-CD2 3.96Å; F99-F177 HydrophobicContact CE2-CD2 3.96Å; F99-F177 HydrophobicContact CE2-CE2 4.12Å; F99-F177 HydrophobicContact CG-CD2 4.01Å; F99-F177 AromaticContact CG-CE2 3.62Å; F99-F177 HydrophobicContact CG-CE2 3.62Å; F99-F177 HydrophobicContact CG-CZ 4.5Å; F99-F177 HydrophobicContact CZ-CE2 4.39Å; F99-A178 WeakPolarHBondContact CB-O 3.4Å; F99-Y180 HydrophobicContact CB-CD2 4.18Å |
| 100 | N | 97.8 | Very high | 95.6 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 27% | 0.267 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.6 | 177.3 | -167.8 | -1.5 | 0 | 0 | 0 | 110.3 | C102 G143 A178 D179 | N100-C102 PolarHBondContact OD1-N 3.3Å; N100-G143 PolarHBondContact OD1-O 3.16Å; N100-A178 PolarHBondContact N-O 3.46Å; N100-A178 PolarHBondContact O-N 2.98Å; N100-D179 HydrophobicContact CB-CB 4.49Å |
| 101 | V | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -88.7 | -6.2 | 172.3 | -63.2 | 0 | 0 | 0 | 0 | 114.6 | F99 C103 V105 G143 V145 I167 V175 C176 | F99-V101 HydrophobicContact CD2-CG1 4.34Å; F99-V101 HydrophobicContact CE2-CG1 3.73Å; V101-C103 PolarHBondContact O-N 3.13Å; V101-C103 VanDerWaalsContact O-N 3.13Å; V101-V105 HydrophobicContact CG2-CG2 3.55Å; V101-G143 VanDerWaalsContact CG2-O 3.23Å; V101-G143 WeakPolarHBondContact CG2-O 3.34Å; V101-G143 PolarHBondContact N-O 2.88Å; V101-V145 HydrophobicContact CG1-CG2 4.03Å; V101-I167 HydrophobicContact CG1-CD1 4.17Å; V101-V175 HydrophobicContact CB-CG1 3.86Å; V101-V175 HydrophobicContact CB-CG2 4.28Å; V101-V175 HydrophobicContact CG1-CG1 3.84Å; V101-C176 VanDerWaalsContact CA-O 3.24Å; V101-C176 WeakPolarHBondContact CA-O 3.36Å; V101-C176 PolarHBondContact O-N 3.12Å | ||
| 102 | C | 94.3 | Very high | 95.6 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 47% | 0.473 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 60.4 | 16.5 | 177 | -55 | 0 | 0 | 0 | 0 | 115.4 | N100 C176 A178 | N100-C102 PolarHBondContact OD1-N 3.3Å; C102-C176 HydrophobicContact CB-CB 3.98Å; C102-A178 WeakPolarHBondContact SG-CB 3.48Å |
| 103 | C | 94.1 | Very high | 95.5 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 12% | 0.122 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -143.7 | 157.4 | 176 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | V101 G143 V175 | V101-C103 PolarHBondContact O-N 3.13Å; V101-C103 VanDerWaalsContact O-N 3.13Å; C103-G143 WeakPolarHBondContact O-CA 3.47Å; C103-V175 VanDerWaalsContact SG-CG2 3.53Å |
| 104 | H | 94.2 | Very high | 95.4 | Very high | 140 Ų | 140 | 39.1 Ų | 39.1 | 65% | 0.648 | 22% | 0.216 | S | C | * | . | trans | -66.2 | 136.4 | 168.1 | -164.6 | 73.5 | 0 | 0 | 0 | 109.3 | A141 | H104-A141 WeakPolarHBondContact CA-O 3.35Å; H104-A141 PolarHBondContact CE1-O 3.37Å; H104-A141 PolarHBondContact ND1-O 2.93Å | ||
| 105 | V | 94 | Very high | 95.3 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | trans | -112 | 117.6 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 108 | V101 L107 L110 I139 A141 I167 V171 | V101-V105 HydrophobicContact CG2-CG2 3.55Å; V105-L107 HydrophobicContact CG1-CD2 4.29Å; V105-L107 PolarHBondContact O-N 3.26Å; V105-L110 HydrophobicContact CG1-CD2 4.08Å; V105-I139 HydrophobicContact CG1-CG2 4.25Å; V105-A141 PolarHBondContact N-O 3.05Å; V105-I167 HydrophobicContact CG1-CG2 4.24Å; V105-I167 HydrophobicContact CG2-CG2 4.28Å; V105-V171 HydrophobicContact CG1-CG1 4.32Å | ||
| 106 | D | 94 | Very high | 95.1 | Very high | 84 Ų | 84 | 44.8 Ų | 44.8 | 45% | 0.449 | 25% | 0.25 | S | S | . | . | trans | -67.9 | 104.2 | 168 | -178.5 | -3.7 | 0 | 0 | 0 | 109.1 | H108 A109 L110 | D106-H108 VanDerWaalsContact C-N 3.27Å; D106-H108 PolarHBondContact O-N 2.89Å; D106-H108 WeakPolarHBondContact OD1-CB 3.17Å; D106-H108 PolarHBondContact OD1-N 3.12Å; D106-A109 HydrophobicContact CB-CB 4Å; D106-A109 PolarHBondContact OD1-N 2.91Å; D106-A109 WeakPolarHBondContact OD2-CB 3.29Å; D106-L110 WeakPolarHBondContact O-CB 3.41Å; D106-L110 PolarHBondContact O-N 3.25Å | ||
| 107 | L | 95.4 | Very high | 95 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -31 | -178.7 | -63.5 | -172.2 | 0 | 0 | 0 | 112.3 | V105 A111 Y119 G124 V126 I139 A141 | V105-L107 HydrophobicContact CG1-CD2 4.29Å; V105-L107 PolarHBondContact O-N 3.26Å; L107-A111 VanDerWaalsContact O-CB 3.29Å; L107-A111 WeakPolarHBondContact O-CB 3.4Å; L107-A111 PolarHBondContact O-N 3.4Å; L107-Y119 HydrophobicContact CB-CD2 4.38Å; L107-Y119 HydrophobicContact CB-CE2 3.69Å; L107-Y119 HydrophobicContact CD1-CE2 3.88Å; L107-Y119 HydrophobicContact CG-CE2 4.47Å; L107-G124 VanDerWaalsContact CD1-C 3.47Å; L107-G124 WeakPolarHBondContact CD1-O 3.3Å; L107-V126 HydrophobicContact CB-CG2 3.7Å; L107-V126 HydrophobicContact CD1-CG2 4.41Å; L107-V126 HydrophobicContact CD2-CB 4.27Å; L107-V126 HydrophobicContact CD2-CG2 3.79Å; L107-V126 HydrophobicContact CG-CG2 4.16Å; L107-I139 HydrophobicContact CD2-CG2 4.25Å; L107-A141 HydrophobicContact CD1-CB 3.93Å; L107-A141 HydrophobicContact CG-CB 4.02Å |
| 108 | H | 93.9 | Very high | 94.9 | Very high | 106 Ų | 106 | 50.2 Ų | 50.2 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.4 | -49.7 | 179.5 | -174.4 | 72.7 | 0 | 0 | 0 | 110.3 | D106 L110 A111 M112 | D106-H108 VanDerWaalsContact C-N 3.27Å; D106-H108 PolarHBondContact O-N 2.89Å; D106-H108 WeakPolarHBondContact OD1-CB 3.17Å; D106-H108 PolarHBondContact OD1-N 3.12Å; H108-L110 VanDerWaalsContact C-N 3.31Å; H108-L110 PolarHBondContact O-N 2.96Å; H108-A111 PolarHBondContact O-N 3.4Å; H108-M112 WeakPolarHBondContact O-CG 3.33Å; H108-M112 PolarHBondContact O-N 2.97Å |
| 109 | A | 93.2 | Very high | 94.8 | Very high | 32 Ų | 32 | 53 Ų | 53 | 26% | 0.264 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D106 A111 M112 C113 | D106-A109 HydrophobicContact CB-CB 4Å; D106-A109 PolarHBondContact OD1-N 2.91Å; D106-A109 WeakPolarHBondContact OD2-CB 3.29Å; A109-A111 VanDerWaalsContact C-N 3.35Å; A109-A111 PolarHBondContact O-N 2.97Å; A109-M112 PolarHBondContact O-N 3.44Å; A109-C113 PolarHBondContact O-N 3.46Å; A109-C113 PolarHBondContact O-SG 3.41Å; A109-C113 VanDerWaalsContact O-SG 3.41Å |
| 110 | L | 95.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 177 | -179.8 | 65.1 | 0 | 0 | 0 | 112.3 | V105 D106 H108 C113 T114 V126 I139 I167 V171 | V105-L110 HydrophobicContact CG1-CD2 4.08Å; D106-L110 WeakPolarHBondContact O-CB 3.41Å; D106-L110 PolarHBondContact O-N 3.25Å; H108-L110 VanDerWaalsContact C-N 3.31Å; H108-L110 PolarHBondContact O-N 2.96Å; L110-C113 PolarHBondContact O-N 3Å; L110-T114 WeakPolarHBondContact CD1-OG1 3.46Å; L110-T114 WeakPolarHBondContact O-CB 3.35Å; L110-T114 PolarHBondContact O-N 3.48Å; L110-T114 PolarHBondContact O-OG1 3.43Å; L110-V126 HydrophobicContact CD2-CB 4.25Å; L110-V126 HydrophobicContact CD2-CG1 3.95Å; L110-V126 HydrophobicContact CD2-CG2 4.5Å; L110-V126 HydrophobicContact CG-CG1 4.4Å; L110-I139 HydrophobicContact CD2-CB 4.26Å; L110-I139 HydrophobicContact CD2-CD1 3.69Å; L110-I139 HydrophobicContact CD2-CG2 3.88Å; L110-I167 HydrophobicContact CD1-CG1 4.22Å; L110-V171 HydrophobicContact CB-CG2 3.92Å; L110-V171 HydrophobicContact CD1-CG2 3.69Å; L110-V171 HydrophobicContact CG-CG2 4.39Å |
| 111 | A | 94.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L107 H108 A109 V117 Y119 | L107-A111 VanDerWaalsContact O-CB 3.29Å; L107-A111 WeakPolarHBondContact O-CB 3.4Å; L107-A111 PolarHBondContact O-N 3.4Å; H108-A111 PolarHBondContact O-N 3.4Å; A109-A111 VanDerWaalsContact C-N 3.35Å; A109-A111 PolarHBondContact O-N 2.97Å; A111-V117 HydrophobicContact CB-CG1 4.26Å; A111-Y119 HydrophobicContact CB-CG 4.42Å |
| 112 | M | 94.3 | Very high | 94.2 | Very high | 135 Ų | 135 | 63.2 Ų | 63.2 | 67% | 0.665 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70.6 | -36.8 | 176.9 | -68.5 | -59.9 | 111.9 | 0 | 0 | 112.6 | H108 A109 | H108-M112 WeakPolarHBondContact O-CG 3.33Å; H108-M112 PolarHBondContact O-N 2.97Å; A109-M112 PolarHBondContact O-N 3.44Å |
| 113 | C | 93.2 | Very high | 94 | Very high | 66 Ų | 66 | 67.5 Ų | 67.5 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -88 | -8.7 | -175.8 | -63.6 | 0 | 0 | 0 | 0 | 114.8 | A109 L110 K170 | A109-C113 PolarHBondContact O-N 3.46Å; A109-C113 PolarHBondContact O-SG 3.41Å; A109-C113 VanDerWaalsContact O-SG 3.41Å; L110-C113 PolarHBondContact O-N 3Å; C113-K170 HydrophobicContact CB-CB 4.42Å |
| 114 | T | 93.8 | Very high | 94 | Very high | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.055 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -120.5 | 123.1 | -168.6 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | L110 V117 W128 W166 | L110-T114 WeakPolarHBondContact CD1-OG1 3.46Å; L110-T114 WeakPolarHBondContact O-CB 3.35Å; L110-T114 PolarHBondContact O-N 3.48Å; L110-T114 PolarHBondContact O-OG1 3.43Å; T114-V117 HydrophobicContact CG2-CG2 3.46Å; T114-V117 VanDerWaalsContact CG2-CG2 3.46Å; T114-V117 WeakPolarHBondContact O-CG2 3.44Å; T114-W128 HydrophobicContact CG2-CD2 3.71Å; T114-W128 HydrophobicContact CG2-CE3 4.27Å; T114-W128 HydrophobicContact CG2-CG 4.1Å; T114-W128 HydrophobicContact CG2-CH2 4.21Å; T114-W128 HydrophobicContact CG2-CZ2 3.6Å; T114-W128 HydrophobicContact CG2-CZ3 4.49Å; T114-W166 HydrophobicContact CG2-CZ2 4.39Å; T114-W166 PolarHBondContact OG1-NE1 3.23Å |
| 115 | P | 93 | Very high | 94.1 | Very high | 76 Ų | 76 | 62 Ų | 62 | 49% | 0.494 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -75.6 | 155.9 | 177.7 | 31.6 | -35.2 | 0 | 0 | 0 | 111.9 | W128 | P115-W128 PolarHBondContact O-NE1 3.04Š|
| 116 | N | 94.2 | Very high | 94.3 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 59.4 | 44.9 | 179.9 | -47.9 | -58.2 | 0 | 0 | 0 | 112.9 | Q129 | N116-Q129 HydrophobicContact CB-CB 4.37Å; N116-Q129 PolarHBondContact O-N 2.89Å |
| 117 | V | 95.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139.3 | -179.7 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | A111 T114 V126 M127 W128 | A111-V117 HydrophobicContact CB-CG1 4.26Å; T114-V117 HydrophobicContact CG2-CG2 3.46Å; T114-V117 VanDerWaalsContact CG2-CG2 3.46Å; T114-V117 WeakPolarHBondContact O-CG2 3.44Å; V117-V126 HydrophobicContact CG1-CG1 3.27Å; V117-M127 CarbonylContact C-O 3.56Å; V117-M127 WeakPolarHBondContact CA-O 3.37Å; V117-W128 HydrophobicContact CG2-CB 3.84Å; V117-W128 VanDerWaalsContact CG2-CD1 3.42Å; V117-W128 HydrophobicContact CG2-CG 3.69Å |
| 118 | V | 95.8 | Very high | 94.5 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 61% | 0.606 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.7 | 169.6 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | M127 | V118-M127 HydrophobicContact CB-CB 4.43Å; V118-M127 PolarHBondContact N-O 3.22Å; V118-M127 PolarHBondContact O-N 3.28Å |
| 119 | Y | 95.7 | Very high | 94.6 | Very high | 78 Ų | 78 | 60 Ų | 60 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.2 | 175.3 | -177.5 | -150.9 | 0 | 0 | 0 | 110.3 | L107 A111 L121 V125 V126 | L107-Y119 HydrophobicContact CB-CD2 4.38Å; L107-Y119 HydrophobicContact CB-CE2 3.69Å; L107-Y119 HydrophobicContact CD1-CE2 3.88Å; L107-Y119 HydrophobicContact CG-CE2 4.47Å; A111-Y119 HydrophobicContact CB-CG 4.42Å; Y119-L121 HydrophobicContact CD1-CD2 4.1Å; Y119-L121 HydrophobicContact CD1-CG 4.19Å; Y119-L121 HydrophobicContact CE1-CD2 3.32Å; Y119-L121 HydrophobicContact CE1-CG 3.9Å; Y119-L121 HydrophobicContact CE2-CD2 4.39Å; Y119-L121 VanDerWaalsContact CZ-CD2 3.49Å; Y119-V125 WeakPolarHBondContact CD2-O 3.05Å; Y119-V126 HydrophobicContact CD2-CG2 3.63Å; Y119-V126 HydrophobicContact CE2-CG2 4.19Å; Y119-V126 HydrophobicContact CG-CG2 4.29Å |
| 120 | E | 94.1 | Very high | 94.7 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 89.1 | 179.2 | -170.7 | 176.8 | -169.9 | 0 | 0 | 109.5 | S122 R123 G124 V125 R138 | E120-S122 VanDerWaalsContact C-N 3.27Å; E120-S122 WeakPolarHBondContact CG-OG 3.41Å; E120-S122 PolarHBondContact O-N 2.85Å; E120-R123 HydrophobicContact CG-CB 4.12Å; E120-R123 HydrophobicContact CG-CG 4.16Å; E120-R123 PolarHBondContact O-N 3.2Å; E120-R123 VanDerWaalsContact O-N 3.14Å; E120-R123 IonicContact OE1-CZ 3.38Å; E120-R123 IonicContact OE1-NE 3.42Å; E120-R123 PolarHBondContact OE1-NE 3.29Å; E120-R123 IonicContact OE1-NH1 3.18Å; E120-R123 PolarHBondContact OE1-NH1 3.02Å; E120-R123 VanDerWaalsContact OE2-CD 3.32Å; E120-R123 WeakPolarHBondContact OE2-CD 3.46Å; E120-R123 IonicContact OE2-CZ 3.73Å; E120-R123 IonicContact OE2-NE 3.83Å; E120-R123 IonicContact OE2-NH1 2.94Å; E120-R123 PolarHBondContact OE2-NH1 3.4Å; E120-G124 PolarHBondContact O-N 3.06Å; E120-V125 HydrophobicContact CB-CG2 4.27Å; E120-V125 PolarHBondContact N-O 2.99Å; E120-V125 PolarHBondContact O-N 3.06Å; E120-R138 IonicContact OE2-NH2 3.86Å |
| 121 | L | 91.6 | Very high | 94.5 | Very high | 107 Ų | 107 | 66.7 Ų | 66.7 | 56% | 0.56 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -54.1 | -40.9 | -179 | -77 | 164.1 | 0 | 0 | 0 | 112.9 | Y119 R123 G124 | Y119-L121 HydrophobicContact CD1-CD2 4.1Å; Y119-L121 HydrophobicContact CD1-CG 4.19Å; Y119-L121 HydrophobicContact CE1-CD2 3.32Å; Y119-L121 HydrophobicContact CE1-CG 3.9Å; Y119-L121 HydrophobicContact CE2-CD2 4.39Å; Y119-L121 VanDerWaalsContact CZ-CD2 3.49Å; L121-R123 PolarHBondContact O-N 2.99Å; L121-G124 PolarHBondContact O-N 3.42Å |
| 122 | S | 92.9 | Very high | 94.3 | Very high | 105 Ų | 105 | 72.4 Ų | 72.4 | 73% | 0.734 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -60.6 | -29.1 | -178.7 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | E120 | E120-S122 VanDerWaalsContact C-N 3.27Å; E120-S122 WeakPolarHBondContact CG-OG 3.41Å; E120-S122 PolarHBondContact O-N 2.85Å |
| 123 | R | 91.5 | Very high | 94.1 | Very high | 159 Ų | 159 | 67.4 Ų | 67.4 | 60% | 0.6 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -104.9 | -7.6 | 179.7 | -68.5 | -163.8 | -176.9 | 139.9 | -8.9 | 113.7 | E120 L121 V125 | E120-R123 HydrophobicContact CG-CB 4.12Å; E120-R123 HydrophobicContact CG-CG 4.16Å; E120-R123 PolarHBondContact O-N 3.2Å; E120-R123 VanDerWaalsContact O-N 3.14Å; E120-R123 IonicContact OE1-CZ 3.38Å; E120-R123 IonicContact OE1-NE 3.42Å; E120-R123 PolarHBondContact OE1-NE 3.29Å; E120-R123 IonicContact OE1-NH1 3.18Å; E120-R123 PolarHBondContact OE1-NH1 3.02Å; E120-R123 VanDerWaalsContact OE2-CD 3.32Å; E120-R123 WeakPolarHBondContact OE2-CD 3.46Å; E120-R123 IonicContact OE2-CZ 3.73Å; E120-R123 IonicContact OE2-NE 3.83Å; E120-R123 IonicContact OE2-NH1 2.94Å; E120-R123 PolarHBondContact OE2-NH1 3.4Å; L121-R123 PolarHBondContact O-N 2.99Å; R123-V125 VanDerWaalsContact C-N 3.34Å; R123-V125 HydrophobicContact CB-CG2 3.85Å; R123-V125 PolarHBondContact O-N 3.14Å |
| 124 | G | 93.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 69.4 Ų | 69.4 | 32% | 0.32 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 40.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L107 E120 L121 | L107-G124 VanDerWaalsContact CD1-C 3.47Å; L107-G124 WeakPolarHBondContact CD1-O 3.3Å; E120-G124 PolarHBondContact O-N 3.06Å; L121-G124 PolarHBondContact O-N 3.42Å |
| 125 | V | 96.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 69 Ų | 69 | 7% | 0.067 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150 | -179.6 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | Y119 E120 R123 R138 I139 | Y119-V125 WeakPolarHBondContact CD2-O 3.05Å; E120-V125 HydrophobicContact CB-CG2 4.27Å; E120-V125 PolarHBondContact N-O 2.99Å; E120-V125 PolarHBondContact O-N 3.06Å; R123-V125 VanDerWaalsContact C-N 3.34Å; R123-V125 HydrophobicContact CB-CG2 3.85Å; R123-V125 PolarHBondContact O-N 3.14Å; V125-R138 HydrophobicContact CB-CG 4.22Å; V125-R138 HydrophobicContact CG1-CG 4.32Å; V125-I139 CarbonylContact C-O 3.45Å; V125-I139 WeakPolarHBondContact CA-O 3.49Å |
| 126 | V | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.1 | 172.8 | 169.8 | 0 | 0 | 0 | 0 | 108.9 | L107 L110 V117 Y119 R138 I139 | L107-V126 HydrophobicContact CB-CG2 3.7Å; L107-V126 HydrophobicContact CD1-CG2 4.41Å; L107-V126 HydrophobicContact CD2-CB 4.27Å; L107-V126 HydrophobicContact CD2-CG2 3.79Å; L107-V126 HydrophobicContact CG-CG2 4.16Å; L110-V126 HydrophobicContact CD2-CB 4.25Å; L110-V126 HydrophobicContact CD2-CG1 3.95Å; L110-V126 HydrophobicContact CD2-CG2 4.5Å; L110-V126 HydrophobicContact CG-CG1 4.4Å; V117-V126 HydrophobicContact CG1-CG1 3.27Å; Y119-V126 HydrophobicContact CD2-CG2 3.63Å; Y119-V126 HydrophobicContact CE2-CG2 4.19Å; Y119-V126 HydrophobicContact CG-CG2 4.29Å; V126-R138 WeakPolarHBondContact O-CA 3.44Å; V126-I139 HydrophobicContact CB-CB 4.35Å; V126-I139 PolarHBondContact N-O 2.98Å; V126-I139 PolarHBondContact O-N 3.42Å |
| 127 | M | 97.1 | Very high | 94.6 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 27% | 0.271 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 114.7 | 175.6 | -63.6 | -60.8 | -60.5 | 0 | 0 | 109.1 | V117 V118 A137 R138 | V117-M127 CarbonylContact C-O 3.56Å; V117-M127 WeakPolarHBondContact CA-O 3.37Å; V118-M127 HydrophobicContact CB-CB 4.43Å; V118-M127 PolarHBondContact N-O 3.22Å; V118-M127 PolarHBondContact O-N 3.28Å; M127-A137 CarbonylContact C-O 3.58Å; M127-A137 WeakPolarHBondContact CA-O 3.29Å; M127-R138 HydrophobicContact CE-CB 4.17Å; M127-R138 HydrophobicContact SD-CB 3.58Å; M127-R138 VanDerWaalsContact SD-CB 3.58Å; M127-R138 HydrophobicContact SD-CG 3.52Å; M127-R138 VanDerWaalsContact SD-CG 3.52Å |
| 128 | W | 96.7 | Very high | 94.7 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 6% | 0.057 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.6 | -177.4 | -177.8 | 20.5 | 0 | 0 | 0 | 111.2 | T114 P115 V117 L130 H136 A137 I139 V163 W166 | T114-W128 HydrophobicContact CG2-CD2 3.71Å; T114-W128 HydrophobicContact CG2-CE3 4.27Å; T114-W128 HydrophobicContact CG2-CG 4.1Å; T114-W128 HydrophobicContact CG2-CH2 4.21Å; T114-W128 HydrophobicContact CG2-CZ2 3.6Å; T114-W128 HydrophobicContact CG2-CZ3 4.49Å; P115-W128 PolarHBondContact O-NE1 3.04Å; V117-W128 HydrophobicContact CG2-CB 3.84Å; V117-W128 VanDerWaalsContact CG2-CD1 3.42Å; V117-W128 HydrophobicContact CG2-CG 3.69Å; W128-L130 HydrophobicContact CD2-CD1 4.26Å; W128-L130 HydrophobicContact CD2-CG 4.44Å; W128-L130 HydrophobicContact CE3-CD1 4.49Å; W128-L130 HydrophobicContact CG-CD1 4.38Å; W128-H136 CarbonylContact O-C 3.49Å; W128-H136 WeakPolarHBondContact O-CA 3.37Å; W128-A137 HydrophobicContact CB-CB 4.4Å; W128-A137 PolarHBondContact N-O 3.04Å; W128-A137 PolarHBondContact O-N 3.41Å; W128-I139 HydrophobicContact CE3-CD1 4.16Å; W128-V163 HydrophobicContact CE3-CG1 4.21Å; W128-V163 HydrophobicContact CE3-CG2 4.24Å; W128-V163 HydrophobicContact CZ3-CB 4.3Å; W128-V163 HydrophobicContact CZ3-CG1 4.1Å; W128-V163 HydrophobicContact CZ3-CG2 4.14Å; W128-W166 HydrophobicContact CH2-CB 3.48Å; W128-W166 VanDerWaalsContact CH2-CB 3.48Å; W128-W166 AromaticContact CH2-CD1 3.42Å; W128-W166 VanDerWaalsContact CH2-CD1 3.42Å; W128-W166 AromaticContact CH2-CD2 3.66Å; W128-W166 HydrophobicContact CH2-CD2 3.66Å; W128-W166 HydrophobicContact CH2-CE3 4.37Å; W128-W166 AromaticContact CH2-CG 3.22Å; W128-W166 HydrophobicContact CH2-CG 3.22Å; W128-W166 AromaticContact CH2-NE1 3.92Å; W128-W166 HydrophobicContact CZ2-CD2 4.11Å; W128-W166 HydrophobicContact CZ2-CG 4.1Å; W128-W166 HydrophobicContact CZ3-CB 3.79Å; W128-W166 AromaticContact CZ3-CD1 3.69Å; W128-W166 AromaticContact CZ3-CG 3.77Å; W128-W166 HydrophobicContact CZ3-CG 3.77Å |
| 129 | Q | 96.7 | Very high | 94.7 | Very high | 87 Ų | 87 | 62.4 Ų | 62.4 | 41% | 0.407 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117.4 | 173.3 | -171 | 174.7 | 8.2 | 0 | 0 | 111.4 | N116 | N116-Q129 HydrophobicContact CB-CB 4.37Å; N116-Q129 PolarHBondContact O-N 2.89Å |
| 130 | L | 94.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 144 | 176.2 | -69.2 | 92.2 | 0 | 0 | 0 | 110.6 | W128 C135 A137 R162 V163 | W128-L130 HydrophobicContact CD2-CD1 4.26Å; W128-L130 HydrophobicContact CD2-CG 4.44Å; W128-L130 HydrophobicContact CE3-CD1 4.49Å; W128-L130 HydrophobicContact CG-CD1 4.38Å; L130-C135 PolarHBondContact N-O 3.35Å; L130-C135 PolarHBondContact O-N 2.94Å; L130-A137 HydrophobicContact CD1-CB 3.63Å; L130-R162 HydrophobicContact CD2-CG 4.44Å; L130-V163 HydrophobicContact CD1-CG2 3.82Å; L130-V163 HydrophobicContact CD2-CG2 3.54Å; L130-V163 HydrophobicContact CG-CG2 4.28Å |
| 131 | R | 92 | Very high | 94.8 | Very high | 171 Ų | 171 | 58.5 Ų | 58.5 | 65% | 0.645 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 138.9 | 168.6 | -59.3 | -176.1 | -176.1 | -170.6 | 0.2 | 109 | P133 R162 | R131-P133 CarbonylContact C-O 3.56Å; R131-R162 PolarHBondContact O-NH1 3.04Å |
| 132 | N | 88.9 | Confident | 95 | Very high | 138 Ų | 138 | 57.5 Ų | 57.5 | 74% | 0.738 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 81.6 | -179.4 | -60.1 | -18.4 | 0 | 0 | 0 | 114.1 | R162 | N132-R162 PolarHBondContact O-NH1 3.38Š|
| 133 | P | 90.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 20% | 0.195 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -75.3 | 159.3 | -4.2 | 31.4 | -35.4 | 0 | 0 | 0 | 112.5 | R131 C135 A155 A159 | R131-P133 CarbonylContact C-O 3.56Å; P133-C135 PolarHBondContact O-N 3.48Å; P133-A155 HydrophobicContact CB-CB 4.43Å; P133-A155 HydrophobicContact CG-CB 4.4Å; P133-A159 HydrophobicContact CG-CB 3.83Å |
| 134 | N | 93.5 | Very high | 95.4 | Very high | 109 Ų | 109 | 49.5 Ų | 49.5 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 101.4 | 173.8 | -173.2 | 24 | 0 | 0 | 0 | 108.8 | ||
| 135 | C | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 160.6 | -174.5 | -66.4 | 0 | 0 | 0 | 0 | 110.2 | L130 P133 V147 T148 A159 | L130-C135 PolarHBondContact N-O 3.35Å; L130-C135 PolarHBondContact O-N 2.94Å; P133-C135 PolarHBondContact O-N 3.48Å; C135-V147 HydrophobicContact CB-CG1 4.08Å; C135-T148 CarbonylContact C-O 3.51Å; C135-T148 VanDerWaalsContact CA-O 3.25Å; C135-T148 WeakPolarHBondContact CA-O 3.17Å; C135-T148 VanDerWaalsContact CB-O 3.3Å; C135-T148 WeakPolarHBondContact CB-O 3.32Å; C135-A159 HydrophobicContact CB-CB 4.38Å |
| 136 | H | 97.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 35% | 0.347 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.5 | 173 | -62.3 | -89.9 | 0 | 0 | 0 | 109.4 | W128 V147 T148 | W128-H136 CarbonylContact O-C 3.49Å; W128-H136 WeakPolarHBondContact O-CA 3.37Å; H136-V147 CarbonylContact O-C 3.51Å; H136-V147 WeakPolarHBondContact O-CA 3.46Å; H136-T148 PolarHBondContact N-O 3.42Å; H136-T148 PolarHBondContact O-N 2.94Å; H136-T148 PolarHBondContact O-OG1 3.38Å |
| 137 | A | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | M127 W128 L130 I146 V147 V163 | M127-A137 CarbonylContact C-O 3.58Å; M127-A137 WeakPolarHBondContact CA-O 3.29Å; W128-A137 HydrophobicContact CB-CB 4.4Å; W128-A137 PolarHBondContact N-O 3.04Å; W128-A137 PolarHBondContact O-N 3.41Å; L130-A137 HydrophobicContact CD1-CB 3.63Å; A137-I146 CarbonylContact C-O 3.6Å; A137-I146 WeakPolarHBondContact CA-O 3.46Å; A137-V147 HydrophobicContact CB-CG2 4.18Å; A137-V163 HydrophobicContact CB-CG1 4.31Å; A137-V163 HydrophobicContact CB-CG2 3.74Å |
| 138 | R | 97.5 | Very high | 95.7 | Very high | 80 Ų | 80 | 49.2 Ų | 49.2 | 30% | 0.302 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 116 | 170.6 | -179.1 | 174.6 | -139.7 | 139.3 | 8.6 | 108.2 | E120 V125 V126 M127 V145 I146 | E120-R138 IonicContact OE2-NH2 3.86Å; V125-R138 HydrophobicContact CB-CG 4.22Å; V125-R138 HydrophobicContact CG1-CG 4.32Å; V126-R138 WeakPolarHBondContact O-CA 3.44Å; M127-R138 HydrophobicContact CE-CB 4.17Å; M127-R138 HydrophobicContact SD-CB 3.58Å; M127-R138 VanDerWaalsContact SD-CB 3.58Å; M127-R138 HydrophobicContact SD-CG 3.52Å; M127-R138 VanDerWaalsContact SD-CG 3.52Å; R138-V145 CarbonylContact O-C 3.41Å; R138-V145 WeakPolarHBondContact O-CA 3.49Å; R138-I146 HydrophobicContact CB-CB 4.37Å; R138-I146 PolarHBondContact N-O 3.45Å; R138-I146 PolarHBondContact O-N 3.19Å |
| 139 | I | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.2 | -175.1 | -59.5 | 160.4 | 0 | 0 | 0 | 107.9 | V105 L107 L110 V125 V126 W128 V145 V163 I167 | V105-I139 HydrophobicContact CG1-CG2 4.25Å; L107-I139 HydrophobicContact CD2-CG2 4.25Å; L110-I139 HydrophobicContact CD2-CB 4.26Å; L110-I139 HydrophobicContact CD2-CD1 3.69Å; L110-I139 HydrophobicContact CD2-CG2 3.88Å; V125-I139 CarbonylContact C-O 3.45Å; V125-I139 WeakPolarHBondContact CA-O 3.49Å; V126-I139 HydrophobicContact CB-CB 4.35Å; V126-I139 PolarHBondContact N-O 2.98Å; V126-I139 PolarHBondContact O-N 3.42Å; W128-I139 HydrophobicContact CE3-CD1 4.16Å; I139-V145 HydrophobicContact CG1-CG1 3.92Å; I139-V145 HydrophobicContact CG1-CG2 4.08Å; I139-V145 HydrophobicContact CG2-CG2 4.26Å; I139-V163 HydrophobicContact CD1-CG1 3.95Å; I139-V163 HydrophobicContact CG1-CG1 4.35Å; I139-I167 HydrophobicContact CD1-CD1 4.01Å; I139-I167 HydrophobicContact CG1-CD1 4.4Å; I139-I167 HydrophobicContact CG2-CD1 4.31Å |
| 140 | S | 96.7 | Very high | 95.6 | Very high | 23 Ų | 23 | 45.9 Ų | 45.9 | 16% | 0.161 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 152.8 | 179.7 | -45.7 | 0 | 0 | 0 | 0 | 110.2 | C142 G143 K144 | S140-C142 PolarHBondContact O-N 3.02Å; S140-C142 VanDerWaalsContact O-N 3.16Å; S140-G143 PolarHBondContact O-N 3Å; S140-K144 PolarHBondContact N-O 2.84Å; S140-K144 PolarHBondContact OG-O 2.94Å |
| 141 | A | 95.3 | Very high | 95.6 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 24% | 0.24 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H104 V105 L107 G143 | H104-A141 WeakPolarHBondContact CA-O 3.35Å; H104-A141 PolarHBondContact CE1-O 3.37Å; H104-A141 PolarHBondContact ND1-O 2.93Å; V105-A141 PolarHBondContact N-O 3.05Å; L107-A141 HydrophobicContact CD1-CB 3.93Å; L107-A141 HydrophobicContact CG-CB 4.02Å; A141-G143 PolarHBondContact O-N 3.15Å; A141-G143 VanDerWaalsContact O-N 3.13Å |
| 142 | C | 94.7 | Very high | 95.7 | Very high | 87 Ų | 87 | 44.6 Ų | 44.6 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -0.8 | 175.9 | 64.5 | 0 | 0 | 0 | 0 | 115.1 | S140 | S140-C142 PolarHBondContact O-N 3.02Å; S140-C142 VanDerWaalsContact O-N 3.16Å |
| 143 | G | 95.2 | Very high | 96 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 87.9 | 1.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N100 V101 C103 S140 A141 | N100-G143 PolarHBondContact OD1-O 3.16Å; V101-G143 VanDerWaalsContact CG2-O 3.23Å; V101-G143 WeakPolarHBondContact CG2-O 3.34Å; V101-G143 PolarHBondContact N-O 2.88Å; C103-G143 WeakPolarHBondContact O-CA 3.47Å; S140-G143 PolarHBondContact O-N 3Å; A141-G143 PolarHBondContact O-N 3.15Å; A141-G143 VanDerWaalsContact O-N 3.13Å |
| 144 | K | 97.3 | Very high | 96.3 | Very high | 95 Ų | 95 | 47.5 Ų | 47.5 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.4 | 172.6 | -171.9 | 179.6 | -175.5 | 179.4 | 0 | 110.7 | M98 S140 | M98-K144 HydrophobicContact CG-CG 4.42Å; M98-K144 HydrophobicContact SD-CD 4.32Å; M98-K144 WeakPolarHBondContact SD-CE 3.47Å; M98-K144 HydrophobicContact SD-CG 4.4Å; S140-K144 PolarHBondContact N-O 2.84Å; S140-K144 PolarHBondContact OG-O 2.94Å |
| 145 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.7 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | M98 F99 V101 R138 I139 V147 V163 I167 | M98-V145 VanDerWaalsContact CA-O 3.29Å; M98-V145 WeakPolarHBondContact CA-O 3.46Å; F99-V145 HydrophobicContact CD1-CB 4.02Å; F99-V145 HydrophobicContact CD1-CG1 4.25Å; F99-V145 HydrophobicContact CD2-CB 4.29Å; F99-V145 HydrophobicContact CE1-CB 3.56Å; F99-V145 HydrophobicContact CE1-CG1 3.4Å; F99-V145 VanDerWaalsContact CE1-CG1 3.4Å; F99-V145 HydrophobicContact CE1-CG2 4.42Å; F99-V145 HydrophobicContact CE2-CB 3.85Å; F99-V145 HydrophobicContact CE2-CG1 4.33Å; F99-V145 HydrophobicContact CE2-CG2 3.89Å; F99-V145 HydrophobicContact CG-CB 4.38Å; F99-V145 HydrophobicContact CZ-CB 3.47Å; F99-V145 VanDerWaalsContact CZ-CB 3.47Å; F99-V145 HydrophobicContact CZ-CG1 3.46Å; F99-V145 VanDerWaalsContact CZ-CG1 3.46Å; F99-V145 HydrophobicContact CZ-CG2 3.83Å; F99-V145 PolarHBondContact N-O 2.86Å; F99-V145 PolarHBondContact O-N 2.77Å; V101-V145 HydrophobicContact CG1-CG2 4.03Å; R138-V145 CarbonylContact O-C 3.41Å; R138-V145 WeakPolarHBondContact O-CA 3.49Å; I139-V145 HydrophobicContact CG1-CG1 3.92Å; I139-V145 HydrophobicContact CG1-CG2 4.08Å; I139-V145 HydrophobicContact CG2-CG2 4.26Å; V145-V147 HydrophobicContact CG1-CG2 4.22Å; V145-V163 HydrophobicContact CG1-CG1 3.95Å; V145-I167 HydrophobicContact CG2-CD1 4.34Å |
| 146 | I | 98.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.2 | 175 | -58.4 | 170.8 | 0 | 0 | 0 | 108.2 | V96 S97 M98 A137 R138 T148 | V96-I146 HydrophobicContact CG1-CG2 3.77Å; S97-I146 CarbonylContact O-C 3.59Å; S97-I146 WeakPolarHBondContact O-CA 3.21Å; M98-I146 HydrophobicContact CB-CG1 4.47Å; M98-I146 HydrophobicContact CG-CG1 4.06Å; M98-I146 HydrophobicContact SD-CG1 4.31Å; A137-I146 CarbonylContact C-O 3.6Å; A137-I146 WeakPolarHBondContact CA-O 3.46Å; R138-I146 HydrophobicContact CB-CB 4.37Å; R138-I146 PolarHBondContact N-O 3.45Å; R138-I146 PolarHBondContact O-N 3.19Å; I146-T148 HydrophobicContact CG2-CG2 4.28Å |
| 147 | V | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.7 | 178.5 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | V96 S97 F99 C135 H136 A137 V145 A159 V163 | V96-V147 WeakPolarHBondContact CA-O 3.31Å; S97-V147 PolarHBondContact N-O 3.04Å; S97-V147 PolarHBondContact O-N 2.96Å; F99-V147 HydrophobicContact CE1-CG2 3.98Å; C135-V147 HydrophobicContact CB-CG1 4.08Å; H136-V147 CarbonylContact O-C 3.51Å; H136-V147 WeakPolarHBondContact O-CA 3.46Å; A137-V147 HydrophobicContact CB-CG2 4.18Å; V145-V147 HydrophobicContact CG1-CG2 4.22Å; V147-A159 HydrophobicContact CG1-CB 3.95Å; V147-V163 HydrophobicContact CG2-CG2 4.5Å |
| 148 | T | 97.3 | Very high | 96.4 | Very high | 45 Ų | 45 | 53.7 Ų | 53.7 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 160.3 | -179.9 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | V96 C135 H136 I146 | V96-T148 HydrophobicContact CB-CG2 4.34Å; V96-T148 HydrophobicContact CG1-CG2 3.69Å; V96-T148 HydrophobicContact CG2-CG2 3.92Å; C135-T148 CarbonylContact C-O 3.51Å; C135-T148 VanDerWaalsContact CA-O 3.25Å; C135-T148 WeakPolarHBondContact CA-O 3.17Å; C135-T148 VanDerWaalsContact CB-O 3.3Å; C135-T148 WeakPolarHBondContact CB-O 3.32Å; H136-T148 PolarHBondContact N-O 3.42Å; H136-T148 PolarHBondContact O-N 2.94Å; H136-T148 PolarHBondContact O-OG1 3.38Å; I146-T148 HydrophobicContact CG2-CG2 4.28Å |
| 149 | G | 95.2 | Very high | 96.4 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.1 | -2.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | N94 | N94-G149 VanDerWaalsContact OD1-CA 3.29Å; N94-G149 WeakPolarHBondContact OD1-CA 3.46Å; N94-G149 PolarHBondContact OD1-N 2.94Å |
| 150 | A | 96.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 142.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N94 V95 A155 A156 | N94-A150 CarbonylContact C-O 3.6Å; N94-A150 WeakPolarHBondContact CA-O 3.48Å; V95-A150 HydrophobicContact CB-CB 4.32Å; V95-A150 PolarHBondContact N-O 3.25Å; A150-A155 HydrophobicContact CB-CB 4.23Å; A150-A156 HydrophobicContact CB-CB 3.63Å |
| 151 | T | 94.3 | Very high | 96.4 | Very high | 95 Ų | 95 | 56.6 Ų | 56.6 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -93.4 | -5.8 | 178.5 | 53 | 0 | 0 | 0 | 0 | 113.6 | V92 | V92-T151 WeakPolarHBondContact CG1-O 3.09Š|
| 152 | S | 95 | Very high | 96.5 | Very high | 51 Ų | 51 | 60.8 Ų | 60.8 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -149.2 | 158.4 | 177 | 69.6 | 0 | 0 | 0 | 0 | 111.1 | M154 A155 A156 | S152-M154 VanDerWaalsContact C-N 3.32Å; S152-M154 PolarHBondContact O-N 3Å; S152-A155 PolarHBondContact O-N 3.47Å; S152-A155 VanDerWaalsContact OG-CB 3.3Å; S152-A155 WeakPolarHBondContact OG-CB 3.33Å; S152-A155 PolarHBondContact OG-N 3.11Å; S152-A156 PolarHBondContact O-N 3.4Å |
| 153 | E | 95.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 177.4 | -61.9 | -177.5 | 179.9 | 0 | 0 | 111.6 | A155 A156 R157 M185 S244 E245 | E153-A155 PolarHBondContact O-N 3.18Å; E153-A156 WeakPolarHBondContact O-CB 3.45Å; E153-A156 PolarHBondContact O-N 2.9Å; E153-R157 PolarHBondContact O-N 3.45Å; E153-M185 HydrophobicContact CG-CE 3.55Å; E153-M185 WeakPolarHBondContact OE1-CE 3.45Å; E153-S244 WeakPolarHBondContact OE1-CA 2.97Å; E153-E245 PolarHBondContact OE1-N 2.84Å; E153-E245 VanDerWaalsContact OE1-N 3.11Å |
| 154 | M | 95.7 | Very high | 96.6 | Very high | 159 Ų | 159 | 57 Ų | 57 | 78% | 0.783 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.5 | -43.8 | 175.8 | -73.4 | 176.2 | 45.6 | 0 | 0 | 112.3 | S152 R157 K158 | S152-M154 VanDerWaalsContact C-N 3.32Å; S152-M154 PolarHBondContact O-N 3Å; M154-R157 PolarHBondContact O-N 2.82Å; M154-K158 WeakPolarHBondContact O-CB 3.38Å; M154-K158 PolarHBondContact O-N 2.88Å |
| 155 | A | 96.1 | Very high | 96.6 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P133 A150 S152 E153 R157 K158 A159 | P133-A155 HydrophobicContact CB-CB 4.43Å; P133-A155 HydrophobicContact CG-CB 4.4Å; A150-A155 HydrophobicContact CB-CB 4.23Å; S152-A155 PolarHBondContact O-N 3.47Å; S152-A155 VanDerWaalsContact OG-CB 3.3Å; S152-A155 WeakPolarHBondContact OG-CB 3.33Å; S152-A155 PolarHBondContact OG-N 3.11Å; E153-A155 PolarHBondContact O-N 3.18Å; A155-R157 PolarHBondContact O-N 3Å; A155-K158 PolarHBondContact O-N 3.04Å; A155-A159 WeakPolarHBondContact O-CB 3.36Å; A155-A159 PolarHBondContact O-N 2.8Å |
| 156 | A | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V95 A150 S152 E153 A159 S160 I182 | V95-A156 HydrophobicContact CB-CB 4.29Å; V95-A156 HydrophobicContact CG1-CB 3.88Å; A150-A156 HydrophobicContact CB-CB 3.63Å; S152-A156 PolarHBondContact O-N 3.4Å; E153-A156 WeakPolarHBondContact O-CB 3.45Å; E153-A156 PolarHBondContact O-N 2.9Å; A156-A159 PolarHBondContact O-N 3.16Å; A156-S160 WeakPolarHBondContact O-CB 3.43Å; A156-S160 PolarHBondContact O-N 3.25Å; A156-S160 PolarHBondContact O-OG 2.75Å; A156-I182 HydrophobicContact CB-CD1 4.35Å |
| 157 | R | 97 | Very high | 96.4 | Very high | 146 Ų | 146 | 59.9 Ų | 59.9 | 55% | 0.551 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.2 | -42.4 | 177.7 | -167.7 | 173 | -177.5 | 178.9 | 0.5 | 111.9 | E153 M154 A155 S160 R161 Y180 | E153-R157 PolarHBondContact O-N 3.45Å; M154-R157 PolarHBondContact O-N 2.82Å; A155-R157 PolarHBondContact O-N 3Å; R157-S160 PolarHBondContact O-N 2.86Å; R157-R161 WeakPolarHBondContact O-CG 3.42Å; R157-R161 PolarHBondContact O-N 2.84Å; R157-Y180 VanDerWaalsContact CA-OH 3.28Å; R157-Y180 WeakPolarHBondContact CA-OH 3.41Å; R157-Y180 HydrophobicContact CB-CE1 4.1Å; R157-Y180 HydrophobicContact CB-CE2 4.45Å; R157-Y180 WeakPolarHBondContact CB-OH 3.3Å; R157-Y180 HydrophobicContact CG-CD1 4.47Å; R157-Y180 HydrophobicContact CG-CE1 3.95Å; R157-Y180 HydrophobicContact CG-CE2 4.47Å; R157-Y180 PolarHBondContact N-OH 3.32Å; R157-Y180 VanDerWaalsContact N-OH 3.12Å |
| 158 | K | 97.1 | Very high | 96.2 | Very high | 150 Ų | 150 | 62.6 Ų | 62.6 | 65% | 0.652 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61 | -46.8 | 176.1 | -174.9 | 176.8 | -179.5 | 176.7 | 0 | 111.5 | M154 A155 R162 | M154-K158 WeakPolarHBondContact O-CB 3.38Å; M154-K158 PolarHBondContact O-N 2.88Å; A155-K158 PolarHBondContact O-N 3.04Å; K158-R162 PolarHBondContact O-N 3.26Å; K158-R162 VanDerWaalsContact O-N 3.11Å |
| 159 | A | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P133 C135 V147 A155 A156 R161 R162 V163 | P133-A159 HydrophobicContact CG-CB 3.83Å; C135-A159 HydrophobicContact CB-CB 4.38Å; V147-A159 HydrophobicContact CG1-CB 3.95Å; A155-A159 WeakPolarHBondContact O-CB 3.36Å; A155-A159 PolarHBondContact O-N 2.8Å; A156-A159 PolarHBondContact O-N 3.16Å; A159-R161 PolarHBondContact O-N 3.43Å; A159-R162 WeakPolarHBondContact O-CB 3.36Å; A159-R162 PolarHBondContact O-N 2.78Å; A159-R162 VanDerWaalsContact O-N 3.16Å; A159-V163 WeakPolarHBondContact O-CG2 3.35Å; A159-V163 PolarHBondContact O-N 2.79Å |
| 160 | S | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 179.8 | -62.2 | 0 | 0 | 0 | 0 | 112.8 | S97 F99 A156 R157 R162 V163 A164 | S97-S160 PolarHBondContact OG-OG 2.98Å; S97-S160 VanDerWaalsContact OG-OG 3.04Å; F99-S160 WeakPolarHBondContact CZ-O 3.23Å; A156-S160 WeakPolarHBondContact O-CB 3.43Å; A156-S160 PolarHBondContact O-N 3.25Å; A156-S160 PolarHBondContact O-OG 2.75Å; R157-S160 PolarHBondContact O-N 2.86Å; S160-R162 VanDerWaalsContact C-N 3.3Å; S160-R162 PolarHBondContact O-N 2.85Å; S160-V163 PolarHBondContact O-N 2.95Å; S160-A164 PolarHBondContact O-N 3.16Å |
| 161 | R | 97.1 | Very high | 95.7 | Very high | 164 Ų | 164 | 71.4 Ų | 71.4 | 62% | 0.619 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.2 | -37.8 | 175.1 | -72.3 | -176.6 | 70.3 | -176.1 | 2.7 | 112.4 | R157 A159 A164 R165 F177 | R157-R161 WeakPolarHBondContact O-CG 3.42Å; R157-R161 PolarHBondContact O-N 2.84Å; A159-R161 PolarHBondContact O-N 3.43Å; R161-A164 PolarHBondContact O-N 2.8Å; R161-R165 WeakPolarHBondContact O-CB 3.4Å; R161-R165 PolarHBondContact O-N 3.38Å; R161-F177 HydrophobicContact CG-CD1 4.42Å; R161-F177 HydrophobicContact CG-CE1 4.04Å; R161-F177 HydrophobicContact CG-CE2 4.2Å; R161-F177 HydrophobicContact CG-CZ 3.9Å |
| 162 | R | 96.4 | Very high | 95.5 | Very high | 118 Ų | 118 | 69.3 Ų | 69.3 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.5 | -177.4 | 175.9 | 176.7 | -178.1 | -4.2 | 111.6 | L130 R131 N132 K158 A159 S160 R165 W166 | L130-R162 HydrophobicContact CD2-CG 4.44Å; R131-R162 PolarHBondContact O-NH1 3.04Å; N132-R162 PolarHBondContact O-NH1 3.38Å; K158-R162 PolarHBondContact O-N 3.26Å; K158-R162 VanDerWaalsContact O-N 3.11Å; A159-R162 WeakPolarHBondContact O-CB 3.36Å; A159-R162 PolarHBondContact O-N 2.78Å; A159-R162 VanDerWaalsContact O-N 3.16Å; S160-R162 VanDerWaalsContact C-N 3.3Å; S160-R162 PolarHBondContact O-N 2.85Å; R162-R165 PolarHBondContact O-N 3.48Å; R162-W166 WeakPolarHBondContact O-CB 3.34Å; R162-W166 PolarHBondContact O-N 3.35Å |
| 163 | V | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -50.7 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | F99 W128 L130 A137 I139 V145 V147 A159 S160 R165 W166 I167 | F99-V163 HydrophobicContact CZ-CB 4.11Å; F99-V163 HydrophobicContact CZ-CG1 4.09Å; W128-V163 HydrophobicContact CE3-CG1 4.21Å; W128-V163 HydrophobicContact CE3-CG2 4.24Å; W128-V163 HydrophobicContact CZ3-CB 4.3Å; W128-V163 HydrophobicContact CZ3-CG1 4.1Å; W128-V163 HydrophobicContact CZ3-CG2 4.14Å; L130-V163 HydrophobicContact CD1-CG2 3.82Å; L130-V163 HydrophobicContact CD2-CG2 3.54Å; L130-V163 HydrophobicContact CG-CG2 4.28Å; A137-V163 HydrophobicContact CB-CG1 4.31Å; A137-V163 HydrophobicContact CB-CG2 3.74Å; I139-V163 HydrophobicContact CD1-CG1 3.95Å; I139-V163 HydrophobicContact CG1-CG1 4.35Å; V145-V163 HydrophobicContact CG1-CG1 3.95Å; V147-V163 HydrophobicContact CG2-CG2 4.5Å; A159-V163 WeakPolarHBondContact O-CG2 3.35Å; A159-V163 PolarHBondContact O-N 2.79Å; S160-V163 PolarHBondContact O-N 2.95Å; V163-R165 VanDerWaalsContact C-N 3.32Å; V163-R165 PolarHBondContact O-N 3.46Å; V163-W166 PolarHBondContact O-N 3.36Å; V163-W166 VanDerWaalsContact O-N 3.15Å; V163-I167 HydrophobicContact CG1-CD1 3.83Å; V163-I167 HydrophobicContact CG1-CG1 4.42Å; V163-I167 WeakPolarHBondContact O-CG1 3.34Å; V163-I167 PolarHBondContact O-N 2.89Å |
| 164 | A | 96.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 71.8 Ų | 71.8 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | F99 S160 R161 W166 I167 Q168 V175 F177 | F99-A164 HydrophobicContact CE2-CB 3.76Å; F99-A164 HydrophobicContact CZ-CB 4.17Å; S160-A164 PolarHBondContact O-N 3.16Å; R161-A164 PolarHBondContact O-N 2.8Å; A164-W166 VanDerWaalsContact C-N 3.33Å; A164-W166 PolarHBondContact O-N 3.41Å; A164-I167 PolarHBondContact O-N 3.12Å; A164-Q168 WeakPolarHBondContact O-CB 2.93Å; A164-Q168 PolarHBondContact O-N 2.97Å; A164-V175 HydrophobicContact CB-CG1 4.46Å; A164-V175 WeakPolarHBondContact O-CG1 3.32Å; A164-F177 HydrophobicContact CB-CB 4.45Å; A164-F177 HydrophobicContact CB-CD2 3.73Å |
| 165 | R | 96.1 | Very high | 95.2 | Very high | 133 Ų | 133 | 64.6 Ų | 64.6 | 50% | 0.502 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 178.7 | -173.7 | 57.3 | 174.5 | 164.2 | 1.4 | 112.8 | R161 R162 V163 Q168 Q169 | R161-R165 WeakPolarHBondContact O-CB 3.4Å; R161-R165 PolarHBondContact O-N 3.38Å; R162-R165 PolarHBondContact O-N 3.48Å; V163-R165 VanDerWaalsContact C-N 3.32Å; V163-R165 PolarHBondContact O-N 3.46Å; R165-Q168 WeakPolarHBondContact O-CB 3.22Å; R165-Q168 PolarHBondContact O-N 3.26Å; R165-Q169 VanDerWaalsContact O-CG 3.3Å; R165-Q169 WeakPolarHBondContact O-CG 3.46Å; R165-Q169 PolarHBondContact O-N 2.96Å |
| 166 | W | 95.2 | Very high | 95.1 | Very high | 68 Ų | 68 | 67 Ų | 67 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 177 | -174.2 | -89.5 | 0 | 0 | 0 | 112 | T114 W128 R162 V163 A164 Q168 Q169 K170 | T114-W166 HydrophobicContact CG2-CZ2 4.39Å; T114-W166 PolarHBondContact OG1-NE1 3.23Å; W128-W166 HydrophobicContact CH2-CB 3.48Å; W128-W166 VanDerWaalsContact CH2-CB 3.48Å; W128-W166 AromaticContact CH2-CD1 3.42Å; W128-W166 VanDerWaalsContact CH2-CD1 3.42Å; W128-W166 AromaticContact CH2-CD2 3.66Å; W128-W166 HydrophobicContact CH2-CD2 3.66Å; W128-W166 HydrophobicContact CH2-CE3 4.37Å; W128-W166 AromaticContact CH2-CG 3.22Å; W128-W166 HydrophobicContact CH2-CG 3.22Å; W128-W166 AromaticContact CH2-NE1 3.92Å; W128-W166 HydrophobicContact CZ2-CD2 4.11Å; W128-W166 HydrophobicContact CZ2-CG 4.1Å; W128-W166 HydrophobicContact CZ3-CB 3.79Å; W128-W166 AromaticContact CZ3-CD1 3.69Å; W128-W166 AromaticContact CZ3-CG 3.77Å; W128-W166 HydrophobicContact CZ3-CG 3.77Å; R162-W166 WeakPolarHBondContact O-CB 3.34Å; R162-W166 PolarHBondContact O-N 3.35Å; V163-W166 PolarHBondContact O-N 3.36Å; V163-W166 VanDerWaalsContact O-N 3.15Å; A164-W166 VanDerWaalsContact C-N 3.33Å; A164-W166 PolarHBondContact O-N 3.41Å; W166-Q168 PolarHBondContact O-N 2.7Å; W166-Q169 PolarHBondContact O-N 3.37Å; W166-Q169 VanDerWaalsContact O-N 3.16Å; W166-K170 HydrophobicContact CD2-CG 4.32Å; W166-K170 HydrophobicContact CG-CG 4.5Å; W166-K170 HydrophobicContact CZ2-CG 4.35Å; W166-K170 WeakPolarHBondContact O-CB 3.35Å; W166-K170 PolarHBondContact O-N 3.48Å |
| 167 | I | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 176 | -57.6 | 167.6 | 0 | 0 | 0 | 109.5 | V101 V105 L110 I139 V145 V163 A164 Q169 K170 V171 N172 V175 | V101-I167 HydrophobicContact CG1-CD1 4.17Å; V105-I167 HydrophobicContact CG1-CG2 4.24Å; V105-I167 HydrophobicContact CG2-CG2 4.28Å; L110-I167 HydrophobicContact CD1-CG1 4.22Å; I139-I167 HydrophobicContact CD1-CD1 4.01Å; I139-I167 HydrophobicContact CG1-CD1 4.4Å; I139-I167 HydrophobicContact CG2-CD1 4.31Å; V145-I167 HydrophobicContact CG2-CD1 4.34Å; V163-I167 HydrophobicContact CG1-CD1 3.83Å; V163-I167 HydrophobicContact CG1-CG1 4.42Å; V163-I167 WeakPolarHBondContact O-CG1 3.34Å; V163-I167 PolarHBondContact O-N 2.89Å; A164-I167 PolarHBondContact O-N 3.12Å; I167-Q169 VanDerWaalsContact C-N 3.33Å; I167-Q169 PolarHBondContact O-N 2.85Å; I167-K170 PolarHBondContact O-N 2.99Å; I167-V171 HydrophobicContact CG2-CB 4.07Å; I167-V171 HydrophobicContact CG2-CG2 4.3Å; I167-V171 WeakPolarHBondContact O-CB 3.39Å; I167-V171 PolarHBondContact O-N 2.92Å; I167-N172 PolarHBondContact O-N 3.04Å; I167-N172 VanDerWaalsContact O-N 3.12Å; I167-V175 HydrophobicContact CB-CG2 4.23Å; I167-V175 HydrophobicContact CG2-CG2 3.68Å |
| 168 | Q | 95.6 | Very high | 95.1 | Very high | 59 Ų | 59 | 64.7 Ų | 64.7 | 28% | 0.276 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 176.5 | -166.4 | -179.9 | 26.9 | 0 | 0 | 113 | A164 R165 W166 N172 P173 V175 | A164-Q168 WeakPolarHBondContact O-CB 2.93Å; A164-Q168 PolarHBondContact O-N 2.97Å; R165-Q168 WeakPolarHBondContact O-CB 3.22Å; R165-Q168 PolarHBondContact O-N 3.26Å; W166-Q168 PolarHBondContact O-N 2.7Å; Q168-N172 VanDerWaalsContact CA-O 3.31Å; Q168-N172 WeakPolarHBondContact CA-O 3.28Å; Q168-N172 CarbonylContact O-C 3.59Å; Q168-P173 WeakPolarHBondContact CG-O 3.47Å; Q168-P173 PolarHBondContact NE2-O 2.76Å; Q168-P173 WeakPolarHBondContact O-CA 3.28Å; Q168-V175 HydrophobicContact CB-CB 3.86Å; Q168-V175 HydrophobicContact CB-CG1 4.16Å; Q168-V175 HydrophobicContact CG-CB 4.12Å |
| 169 | Q | 94.7 | Very high | 95.1 | Very high | 111 Ų | 111 | 62.5 Ų | 62.5 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -79.9 | -29.4 | -176.9 | -73.9 | 175.6 | -16.4 | 0 | 0 | 113.8 | R165 W166 I167 | R165-Q169 VanDerWaalsContact O-CG 3.3Å; R165-Q169 WeakPolarHBondContact O-CG 3.46Å; R165-Q169 PolarHBondContact O-N 2.96Å; W166-Q169 PolarHBondContact O-N 3.37Å; W166-Q169 VanDerWaalsContact O-N 3.16Å; I167-Q169 VanDerWaalsContact C-N 3.33Å; I167-Q169 PolarHBondContact O-N 2.85Å |
| 170 | K | 92.9 | Very high | 95.1 | Very high | 113 Ų | 113 | 65.2 Ų | 65.2 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -108.7 | -26.6 | -170.1 | -64.1 | -58.9 | -174.6 | -178.9 | 0 | 114.8 | C113 W166 I167 | C113-K170 HydrophobicContact CB-CB 4.42Å; W166-K170 HydrophobicContact CD2-CG 4.32Å; W166-K170 HydrophobicContact CG-CG 4.5Å; W166-K170 HydrophobicContact CZ2-CG 4.35Å; W166-K170 WeakPolarHBondContact O-CB 3.35Å; W166-K170 PolarHBondContact O-N 3.48Å; I167-K170 PolarHBondContact O-N 2.99Å |
| 171 | V | 90 | Very high | 95.1 | Very high | 39 Ų | 39 | 71.8 Ų | 71.8 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -59.9 | -172.4 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | V105 L110 I167 | V105-V171 HydrophobicContact CG1-CG1 4.32Å; L110-V171 HydrophobicContact CB-CG2 3.92Å; L110-V171 HydrophobicContact CD1-CG2 3.69Å; L110-V171 HydrophobicContact CG-CG2 4.39Å; I167-V171 HydrophobicContact CG2-CB 4.07Å; I167-V171 HydrophobicContact CG2-CG2 4.3Å; I167-V171 WeakPolarHBondContact O-CB 3.39Å; I167-V171 PolarHBondContact O-N 2.92Å |
| 172 | N | 89 | Confident | 95.1 | Very high | 51 Ų | 51 | 65.1 Ų | 65.1 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | trans | -145.6 | 116.1 | -174.5 | -170.8 | -17.9 | 0 | 0 | 0 | 111.9 | I167 Q168 S174 V175 | I167-N172 PolarHBondContact O-N 3.04Å; I167-N172 VanDerWaalsContact O-N 3.12Å; Q168-N172 VanDerWaalsContact CA-O 3.31Å; Q168-N172 WeakPolarHBondContact CA-O 3.28Å; Q168-N172 CarbonylContact O-C 3.59Å; N172-S174 VanDerWaalsContact CG-OG 3.31Å; N172-S174 PolarHBondContact ND2-OG 2.85Å; N172-S174 PolarHBondContact O-N 2.68Å; N172-S174 VanDerWaalsContact O-N 3.1Å; N172-S174 WeakPolarHBondContact OD1-CB 3.42Å; N172-S174 PolarHBondContact OD1-N 2.86Å; N172-S174 PolarHBondContact OD1-OG 2.82Å; N172-V175 HydrophobicContact CB-CG2 4.42Å; N172-V175 WeakPolarHBondContact O-CG2 3.45Å; N172-V175 PolarHBondContact O-N 3.07Å | ||
| 173 | P | 92.4 | Very high | 95.1 | Very high | 105 Ų | 105 | 62.1 Ų | 62.1 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.7 | 177 | -25.9 | 35.4 | 0 | 0 | 0 | 115.1 | Q168 V175 | Q168-P173 WeakPolarHBondContact CG-O 3.47Å; Q168-P173 PolarHBondContact NE2-O 2.76Å; Q168-P173 WeakPolarHBondContact O-CA 3.28Å; P173-V175 PolarHBondContact O-N 3.28Å |
| 174 | S | 93.3 | Very high | 95 | Very high | 68 Ų | 68 | 64.8 Ų | 64.8 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 4 | -178.4 | 80.8 | 0 | 0 | 0 | 0 | 114.8 | N172 C176 | N172-S174 VanDerWaalsContact CG-OG 3.31Å; N172-S174 PolarHBondContact ND2-OG 2.85Å; N172-S174 PolarHBondContact O-N 2.68Å; N172-S174 VanDerWaalsContact O-N 3.1Å; N172-S174 WeakPolarHBondContact OD1-CB 3.42Å; N172-S174 PolarHBondContact OD1-N 2.86Å; N172-S174 PolarHBondContact OD1-OG 2.82Å; S174-C176 PolarHBondContact O-N 2.84Å |
| 175 | V | 94.7 | Very high | 95 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | trans | -59.2 | 127.9 | 177.6 | 163.6 | 0 | 0 | 0 | 0 | 111.1 | V101 C103 A164 I167 Q168 N172 P173 | V101-V175 HydrophobicContact CB-CG1 3.86Å; V101-V175 HydrophobicContact CB-CG2 4.28Å; V101-V175 HydrophobicContact CG1-CG1 3.84Å; C103-V175 VanDerWaalsContact SG-CG2 3.53Å; A164-V175 HydrophobicContact CB-CG1 4.46Å; A164-V175 WeakPolarHBondContact O-CG1 3.32Å; I167-V175 HydrophobicContact CB-CG2 4.23Å; I167-V175 HydrophobicContact CG2-CG2 3.68Å; Q168-V175 HydrophobicContact CB-CB 3.86Å; Q168-V175 HydrophobicContact CB-CG1 4.16Å; Q168-V175 HydrophobicContact CG-CB 4.12Å; N172-V175 HydrophobicContact CB-CG2 4.42Å; N172-V175 WeakPolarHBondContact O-CG2 3.45Å; N172-V175 PolarHBondContact O-N 3.07Å; P173-V175 PolarHBondContact O-N 3.28Å | ||
| 176 | C | 94.7 | Very high | 94.9 | Very high | 67 Ų | 67 | 61.5 Ų | 61.5 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | trans | -105.6 | 159.6 | 171.9 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | V101 C102 S174 | V101-C176 VanDerWaalsContact CA-O 3.24Å; V101-C176 WeakPolarHBondContact CA-O 3.36Å; V101-C176 PolarHBondContact O-N 3.12Å; C102-C176 HydrophobicContact CB-CB 3.98Å; S174-C176 PolarHBondContact O-N 2.84Å | ||
| 177 | F | 96.8 | Very high | 95 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 32% | 0.316 | 30% | 0.304 | S | S | . | . | trans | -108.8 | 87.7 | 171 | -176.5 | -102.5 | 0 | 0 | 0 | 109 | F99 R161 A164 Y180 | F99-F177 HydrophobicContact CB-CD2 4.42Å; F99-F177 HydrophobicContact CB-CE2 4Å; F99-F177 HydrophobicContact CB-CZ 4.49Å; F99-F177 AromaticContact CD1-CE2 3.95Å; F99-F177 HydrophobicContact CD1-CE2 3.95Å; F99-F177 AromaticContact CD2-CD2 3.63Å; F99-F177 HydrophobicContact CD2-CD2 3.63Å; F99-F177 AromaticContact CD2-CE2 3.72Å; F99-F177 HydrophobicContact CD2-CE2 3.72Å; F99-F177 HydrophobicContact CE1-CE2 4.32Å; F99-F177 AromaticContact CE2-CD2 3.96Å; F99-F177 HydrophobicContact CE2-CD2 3.96Å; F99-F177 HydrophobicContact CE2-CE2 4.12Å; F99-F177 HydrophobicContact CG-CD2 4.01Å; F99-F177 AromaticContact CG-CE2 3.62Å; F99-F177 HydrophobicContact CG-CE2 3.62Å; F99-F177 HydrophobicContact CG-CZ 4.5Å; F99-F177 HydrophobicContact CZ-CE2 4.39Å; R161-F177 HydrophobicContact CG-CD1 4.42Å; R161-F177 HydrophobicContact CG-CE1 4.04Å; R161-F177 HydrophobicContact CG-CE2 4.2Å; R161-F177 HydrophobicContact CG-CZ 3.9Å; A164-F177 HydrophobicContact CB-CB 4.45Å; A164-F177 HydrophobicContact CB-CD2 3.73Å; F177-Y180 HydrophobicContact CE1-CD2 4.17Å; F177-Y180 AromaticContact CE1-CG 3.97Å; F177-Y180 HydrophobicContact CE1-CG 3.97Å; F177-Y180 HydrophobicContact CE2-CD2 4.18Å; F177-Y180 AromaticContact CZ-CD2 3.41Å; F177-Y180 HydrophobicContact CZ-CD2 3.41Å; F177-Y180 VanDerWaalsContact CZ-CD2 3.41Å; F177-Y180 HydrophobicContact CZ-CE2 4.23Å; F177-Y180 AromaticContact CZ-CG 3.7Å; F177-Y180 HydrophobicContact CZ-CG 3.7Å | ||
| 178 | A | 96.8 | Very high | 95 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 162.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F99 N100 C102 Y180 | F99-A178 WeakPolarHBondContact CB-O 3.4Å; N100-A178 PolarHBondContact N-O 3.46Å; N100-A178 PolarHBondContact O-N 2.98Å; C102-A178 WeakPolarHBondContact SG-CB 3.48Å; A178-Y180 PolarHBondContact O-N 3.19Å |
| 179 | D | 96.2 | Very high | 95 | Very high | 105 Ų | 105 | 56.7 Ų | 56.7 | 56% | 0.561 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.5 | 30.9 | 172.7 | -55.3 | -35.7 | 0 | 0 | 0 | 115.4 | N100 R181 | N100-D179 HydrophobicContact CB-CB 4.49Å; D179-R181 PolarHBondContact O-N 3.06Å |
| 180 | Y | 98 | Very high | 94.9 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 122.1 | 178.9 | 177.3 | -95.6 | 0 | 0 | 0 | 110.7 | M98 F99 R157 F177 A178 I182 | M98-Y180 CarbonylContact O-C 3.43Å; M98-Y180 WeakPolarHBondContact O-CA 3.34Å; F99-Y180 HydrophobicContact CB-CD2 4.18Å; R157-Y180 VanDerWaalsContact CA-OH 3.28Å; R157-Y180 WeakPolarHBondContact CA-OH 3.41Å; R157-Y180 HydrophobicContact CB-CE1 4.1Å; R157-Y180 HydrophobicContact CB-CE2 4.45Å; R157-Y180 WeakPolarHBondContact CB-OH 3.3Å; R157-Y180 HydrophobicContact CG-CD1 4.47Å; R157-Y180 HydrophobicContact CG-CE1 3.95Å; R157-Y180 HydrophobicContact CG-CE2 4.47Å; R157-Y180 PolarHBondContact N-OH 3.32Å; R157-Y180 VanDerWaalsContact N-OH 3.12Å; F177-Y180 HydrophobicContact CE1-CD2 4.17Å; F177-Y180 AromaticContact CE1-CG 3.97Å; F177-Y180 HydrophobicContact CE1-CG 3.97Å; F177-Y180 HydrophobicContact CE2-CD2 4.18Å; F177-Y180 AromaticContact CZ-CD2 3.41Å; F177-Y180 HydrophobicContact CZ-CD2 3.41Å; F177-Y180 VanDerWaalsContact CZ-CD2 3.41Å; F177-Y180 HydrophobicContact CZ-CE2 4.23Å; F177-Y180 AromaticContact CZ-CG 3.7Å; F177-Y180 HydrophobicContact CZ-CG 3.7Å; A178-Y180 PolarHBondContact O-N 3.19Å; Y180-I182 HydrophobicContact CE1-CD1 4.36Å; Y180-I182 VanDerWaalsContact OH-CD1 3.28Å; Y180-I182 WeakPolarHBondContact OH-CD1 3.3Å |
| 181 | R | 97.4 | Very high | 94.9 | Very high | 138 Ų | 138 | 50 Ų | 50 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 151 | 175 | 60.7 | -179.2 | -179.8 | -106.1 | 14.7 | 112.5 | S97 M98 D179 T183 | S97-R181 CarbonylContact C-O 3.59Å; S97-R181 WeakPolarHBondContact CA-O 3.38Å; M98-R181 HydrophobicContact CE-CG 4.23Å; M98-R181 PolarHBondContact N-O 3.28Å; M98-R181 PolarHBondContact O-N 3.34Å; D179-R181 PolarHBondContact O-N 3.06Å; R181-T183 HydrophobicContact CG-CG2 4.37Å |
| 182 | I | 97.4 | Very high | 95 | Very high | 24 Ų | 24 | 52 Ų | 52 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.7 | 164.8 | -55.6 | -51.6 | 0 | 0 | 0 | 107.8 | V95 A156 Y180 T243 | V95-I182 HydrophobicContact CG1-CD1 3.72Å; V95-I182 HydrophobicContact CG1-CG1 4.38Å; V95-I182 HydrophobicContact CG1-CG2 3.92Å; A156-I182 HydrophobicContact CB-CD1 4.35Å; Y180-I182 HydrophobicContact CE1-CD1 4.36Å; Y180-I182 VanDerWaalsContact OH-CD1 3.28Å; Y180-I182 WeakPolarHBondContact OH-CD1 3.3Å; I182-T243 WeakPolarHBondContact CB-O 3.28Å |
| 183 | T | 95.8 | Very high | 95.1 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -33.3 | -178.5 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | V96 M98 R181 | V96-T183 WeakPolarHBondContact CG1-OG1 3.25Å; V96-T183 PolarHBondContact O-N 2.98Å; V96-T183 PolarHBondContact O-OG1 3.37Å; M98-T183 HydrophobicContact CB-CG2 3.59Å; M98-T183 HydrophobicContact CE-CG2 3.91Å; M98-T183 HydrophobicContact SD-CG2 4.23Å; R181-T183 HydrophobicContact CG-CG2 4.37Å |
| 184 | N | 95.5 | Very high | 95.2 | Very high | 56 Ų | 56 | 46 Ų | 46 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 138.9 | 179.7 | -171.2 | 7.6 | 0 | 0 | 0 | 109.8 | V96 G241 A242 | V96-N184 HydrophobicContact CB-CB 4.27Å; V96-N184 HydrophobicContact CG2-CB 4.44Å; V96-N184 PolarHBondContact N-O 3.11Å; V96-N184 PolarHBondContact O-N 3.42Å; N184-G241 VanDerWaalsContact OD1-CA 3.3Å; N184-G241 WeakPolarHBondContact OD1-CA 3.44Å; N184-G241 PolarHBondContact OD1-N 2.81Å; N184-A242 CarbonylContact C-O 3.56Å; N184-A242 VanDerWaalsContact C-O 3.32Å; N184-A242 WeakPolarHBondContact CA-O 3.38Å |
| 185 | M | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.7 | 170.8 | -179.9 | -177.3 | -62 | 0 | 0 | 107.8 | V92 N94 V95 E153 A242 E245 V248 | V92-M185 HydrophobicContact CG1-CG 3.91Å; V92-M185 HydrophobicContact CG1-SD 4.13Å; V92-M185 HydrophobicContact CG2-SD 3.95Å; N94-M185 WeakPolarHBondContact O-CA 3.5Å; V95-M185 HydrophobicContact CG2-CE 4.18Å; V95-M185 HydrophobicContact CG2-CG 4.24Å; E153-M185 HydrophobicContact CG-CE 3.55Å; E153-M185 WeakPolarHBondContact OE1-CE 3.45Å; M185-A242 HydrophobicContact CB-CB 4.17Å; M185-A242 WeakPolarHBondContact CB-O 3.48Å; M185-A242 PolarHBondContact N-O 3.5Å; M185-E245 HydrophobicContact CE-CB 4.29Å; M185-E245 HydrophobicContact SD-CB 4.26Å; M185-V248 HydrophobicContact SD-CG2 3.96Å |
| 186 | M | 95.9 | Very high | 95.3 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 34% | 0.335 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127 | 174.4 | -179.8 | -177.2 | -75.1 | 0 | 0 | 108.9 | R93 N94 T238 I239 T240 | R93-M186 HydrophobicContact CB-CG 4.48Å; R93-M186 PolarHBondContact N-O 3.25Å; N94-M186 HydrophobicContact CB-CB 4.24Å; N94-M186 PolarHBondContact N-O 3.44Å; N94-M186 PolarHBondContact O-N 3.18Å; M186-T238 HydrophobicContact CG-CG2 4.12Å; M186-T238 HydrophobicContact SD-CG2 4.47Å; M186-I239 VanDerWaalsContact CA-O 3.29Å; M186-I239 WeakPolarHBondContact CA-O 3.38Å; M186-T240 HydrophobicContact CB-CG2 4.43Å; M186-T240 HydrophobicContact CE-CG2 3.72Å; M186-T240 HydrophobicContact CG-CG2 4.02Å |
| 187 | A | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 152 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L90 R91 T238 I239 V248 | L90-A187 HydrophobicContact CD1-CB 4.22Å; R91-A187 CarbonylContact O-C 3.58Å; R91-A187 WeakPolarHBondContact O-CA 3.42Å; A187-T238 CarbonylContact O-C 3.56Å; A187-T238 WeakPolarHBondContact O-CA 3.45Å; A187-I239 HydrophobicContact CB-CB 4.45Å; A187-I239 PolarHBondContact N-O 3.09Å; A187-I239 PolarHBondContact O-N 2.87Å; A187-V248 HydrophobicContact CB-CG1 3.55Å; A187-V248 HydrophobicContact CB-CG2 4.37Å |
| 188 | S | 95.5 | Very high | 95.2 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.5 | 173 | 64.1 | 0 | 0 | 0 | 0 | 109.4 | R91 R93 V237 | R91-S188 PolarHBondContact N-O 3.22Å; R91-S188 PolarHBondContact O-N 3.34Å; R93-S188 WeakPolarHBondContact CG-OG 3.24Å; R93-S188 PolarHBondContact NE-OG 2.88Å; R93-S188 PolarHBondContact NH2-OG 2.82Å; S188-V237 CarbonylContact C-O 3.57Å; S188-V237 WeakPolarHBondContact CA-O 3.4Å |
| 189 | C | 94.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.034 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 142.8 | 175.8 | 161.5 | 0 | 0 | 0 | 0 | 109 | I88 D89 L90 V237 M252 | I88-C189 HydrophobicContact CG2-CB 4.48Å; I88-C189 WeakPolarHBondContact CG2-SG 3.4Å; D89-C189 WeakPolarHBondContact O-CA 3.35Å; L90-C189 HydrophobicContact CD1-CB 3.9Å; C189-V237 HydrophobicContact CB-CB 4.24Å; C189-V237 PolarHBondContact N-O 2.86Å; C189-V237 PolarHBondContact O-N 2.85Å; C189-M252 HydrophobicContact CB-SD 4.41Å |
| 190 | K | 94 | Very high | 95.1 | Very high | 82 Ų | 82 | 43.2 Ų | 43.2 | 36% | 0.357 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122 | 172.1 | -174.3 | 60.4 | 168.4 | 174.5 | 0 | 109.9 | T234 S236 Y266 | K190-T234 PolarHBondContact NZ-O 2.8Å; K190-S236 WeakPolarHBondContact CD-OG 3.38Å; K190-S236 PolarHBondContact NZ-OG 3.03Å; K190-Y266 PolarHBondContact NZ-OH 2.99Å |
| 191 | L | 92.3 | Very high | 95 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | trans | -85.8 | 148.9 | 175.4 | -56.9 | 172.2 | 0 | 0 | 0 | 110.5 | F193 L195 G235 V237 M252 Y256 L259 | L191-F193 HydrophobicContact CB-CD2 4.39Å; L191-F193 HydrophobicContact CB-CE2 4.18Å; L191-F193 HydrophobicContact CB-CZ 4.28Å; L191-F193 HydrophobicContact CD1-CE2 3.97Å; L191-F193 HydrophobicContact CD1-CZ 4.3Å; L191-F193 HydrophobicContact CD2-CZ 4.49Å; L191-F193 PolarHBondContact O-N 2.9Å; L191-L195 HydrophobicContact CD1-CD1 4.04Å; L191-G235 WeakPolarHBondContact CB-O 3.12Å; L191-G235 VanDerWaalsContact CG-O 3.31Å; L191-G235 WeakPolarHBondContact CG-O 3.3Å; L191-G235 PolarHBondContact N-O 3.06Å; L191-V237 HydrophobicContact CD1-CG2 3.97Å; L191-V237 HydrophobicContact CG-CG2 4.33Å; L191-M252 HydrophobicContact CD2-CE 3.74Å; L191-Y256 HydrophobicContact CD2-CD2 3.85Å; L191-Y256 HydrophobicContact CD2-CE2 3.77Å; L191-L259 HydrophobicContact CD1-CB 4.48Å; L191-L259 HydrophobicContact CD1-CD1 3.58Å | ||
| 192 | P | 90.8 | Very high | 94.9 | Very high | 82 Ų | 82 | 41.2 Ų | 41.2 | 53% | 0.532 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -77.3 | 4.4 | -179.9 | 31.2 | -33.9 | 0 | 0 | 0 | 113.9 | ||
| 193 | F | 92.4 | Very high | 94.8 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 9% | 0.088 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -137.4 | 162.2 | -178.3 | 47.5 | -102 | 0 | 0 | 0 | 111.5 | L191 L195 G235 Y256 L260 K263 | L191-F193 HydrophobicContact CB-CD2 4.39Å; L191-F193 HydrophobicContact CB-CE2 4.18Å; L191-F193 HydrophobicContact CB-CZ 4.28Å; L191-F193 HydrophobicContact CD1-CE2 3.97Å; L191-F193 HydrophobicContact CD1-CZ 4.3Å; L191-F193 HydrophobicContact CD2-CZ 4.49Å; L191-F193 PolarHBondContact O-N 2.9Å; F193-L195 HydrophobicContact CD2-CD2 4.15Å; F193-L195 HydrophobicContact CD2-CG 4.5Å; F193-L195 HydrophobicContact CE2-CD2 3.88Å; F193-L195 HydrophobicContact CE2-CG 4.48Å; F193-G235 WeakPolarHBondContact O-CA 3.34Å; F193-Y256 HydrophobicContact CE1-CE2 4.34Å; F193-Y256 HydrophobicContact CZ-CE2 4.16Å; F193-L260 HydrophobicContact CE1-CD2 3.59Å; F193-L260 HydrophobicContact CZ-CD2 3.7Å; F193-L260 HydrophobicContact CZ-CG 4.35Å; F193-K263 HydrophobicContact CB-CB 4.29Å; F193-K263 HydrophobicContact CD1-CB 4.47Å; F193-K263 HydrophobicContact CD2-CB 3.7Å; F193-K263 HydrophobicContact CE2-CB 4.1Å; F193-K263 HydrophobicContact CG-CB 3.9Å |
| 194 | G | 93.9 | Very high | 94.7 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 171.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | S233 K263 V264 | G194-S233 CarbonylContact C-O 3.52Å; G194-S233 VanDerWaalsContact CA-O 3.24Å; G194-S233 WeakPolarHBondContact CA-O 3.44Å; G194-K263 CarbonylContact O-C 3.53Å; G194-K263 WeakPolarHBondContact O-CA 3.46Å; G194-V264 PolarHBondContact N-O 2.98Å; G194-V264 PolarHBondContact O-N 2.96Å |
| 195 | L | 95.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.7 | -176.1 | -72 | 170.4 | 0 | 0 | 0 | 112.4 | L191 F193 L197 I231 S233 L259 | L191-L195 HydrophobicContact CD1-CD1 4.04Å; F193-L195 HydrophobicContact CD2-CD2 4.15Å; F193-L195 HydrophobicContact CD2-CG 4.5Å; F193-L195 HydrophobicContact CE2-CD2 3.88Å; F193-L195 HydrophobicContact CE2-CG 4.48Å; L195-L197 HydrophobicContact CB-CD2 3.97Å; L195-L197 PolarHBondContact O-N 2.74Å; L195-I231 HydrophobicContact CD1-CG2 3.34Å; L195-S233 PolarHBondContact N-O 2.81Å; L195-L259 HydrophobicContact CD1-CD1 4.39Å; L195-L259 HydrophobicContact CD1-CD2 4.03Å; L195-L259 HydrophobicContact CD2-CB 4.09Å; L195-L259 HydrophobicContact CD2-CD2 4.34Å; L195-L259 WeakPolarHBondContact CD2-O 3.33Å |
| 196 | R | 95.2 | Very high | 94.6 | Very high | 126 Ų | 126 | 52.7 Ų | 52.7 | 48% | 0.475 | 28% | 0.282 | S | S | . | . | trans | -81.6 | 90.9 | 166.6 | -63.5 | -178.7 | -69.6 | -161.4 | -2.8 | 109.7 | V198 D199 L200 Y262 V264 | R196-V198 VanDerWaalsContact C-N 3.34Å; R196-V198 PolarHBondContact O-N 3.24Å; R196-D199 HydrophobicContact CB-CB 4.16Å; R196-D199 WeakPolarHBondContact CB-OD2 3.44Å; R196-D199 WeakPolarHBondContact CD-OD2 3.36Å; R196-D199 IonicContact CZ-OD2 3.69Å; R196-D199 IonicContact NE-OD2 3.61Å; R196-D199 PolarHBondContact NE-OD2 2.8Å; R196-L200 WeakPolarHBondContact O-CB 3.29Å; R196-L200 PolarHBondContact O-N 3.15Å; R196-Y262 PolarHBondContact N-O 3.44Å; R196-V264 HydrophobicContact CB-CG2 4.4Å; R196-V264 HydrophobicContact CG-CG2 3.29Å | ||
| 197 | L | 95.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.1 | -34 | -176.8 | -60.6 | -172.8 | 0 | 0 | 0 | 113.2 | L195 L200 A201 Y210 L218 I231 | L195-L197 HydrophobicContact CB-CD2 3.97Å; L195-L197 PolarHBondContact O-N 2.74Å; L197-L200 PolarHBondContact O-N 2.89Å; L197-A201 WeakPolarHBondContact O-CB 3.29Å; L197-A201 PolarHBondContact O-N 2.76Å; L197-Y210 HydrophobicContact CB-CD2 4.39Å; L197-Y210 HydrophobicContact CB-CE1 4.17Å; L197-Y210 HydrophobicContact CB-CE2 4.04Å; L197-Y210 HydrophobicContact CD1-CD2 4.33Å; L197-Y210 HydrophobicContact CD1-CE2 3.67Å; L197-L218 HydrophobicContact CD1-CB 4.31Å; L197-L218 HydrophobicContact CD2-CB 4.21Å; L197-I231 HydrophobicContact CD2-CG2 3.94Å |
| 198 | V | 94.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 53.3 Ų | 53.3 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -52.9 | 179.4 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | R196 L200 A201 L202 Y210 | R196-V198 VanDerWaalsContact C-N 3.34Å; R196-V198 PolarHBondContact O-N 3.24Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 3.46Å; V198-A201 PolarHBondContact O-N 2.85Å; V198-A201 VanDerWaalsContact O-N 3.15Å; V198-L202 HydrophobicContact CG1-CD1 4.08Å; V198-L202 WeakPolarHBondContact O-CG 3.34Å; V198-L202 PolarHBondContact O-N 3.4Å; V198-Y210 HydrophobicContact CG2-CE1 3.87Å |
| 199 | D | 95.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 54.5 Ų | 54.5 | 35% | 0.353 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 178.4 | -57.5 | -10.6 | 0 | 0 | 0 | 111.7 | R196 A201 L202 A203 Y262 | R196-D199 HydrophobicContact CB-CB 4.16Å; R196-D199 WeakPolarHBondContact CB-OD2 3.44Å; R196-D199 WeakPolarHBondContact CD-OD2 3.36Å; R196-D199 IonicContact CZ-OD2 3.69Å; R196-D199 IonicContact NE-OD2 3.61Å; R196-D199 PolarHBondContact NE-OD2 2.8Å; D199-A201 PolarHBondContact O-N 2.85Å; D199-L202 PolarHBondContact O-N 3Å; D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 2.65Å; D199-Y262 HydrophobicContact CB-CD1 3.73Å; D199-Y262 HydrophobicContact CB-CE1 3.92Å |
| 200 | L | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 176.9 | 179.1 | 65.9 | 0 | 0 | 0 | 111.9 | R196 L197 V198 H204 L218 W220 V258 L259 Y262 | R196-L200 WeakPolarHBondContact O-CB 3.29Å; R196-L200 PolarHBondContact O-N 3.15Å; L197-L200 PolarHBondContact O-N 2.89Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 3.46Å; L200-H204 PolarHBondContact O-N 3.32Å; L200-L218 HydrophobicContact CB-CD1 4.36Å; L200-L218 HydrophobicContact CD2-CD1 4.04Å; L200-L218 HydrophobicContact CD2-CD2 4.46Å; L200-L218 HydrophobicContact CG-CD1 4.12Å; L200-W220 HydrophobicContact CD1-CZ3 4.34Å; L200-V258 HydrophobicContact CD1-CG1 3.87Å; L200-L259 HydrophobicContact CD2-CD2 3.81Å; L200-Y262 HydrophobicContact CB-CD1 4.34Å; L200-Y262 HydrophobicContact CB-CD2 4.22Å; L200-Y262 HydrophobicContact CB-CG 4.12Å; L200-Y262 HydrophobicContact CD1-CD2 3.52Å; L200-Y262 HydrophobicContact CD1-CE2 3.52Å; L200-Y262 HydrophobicContact CD1-CG 4.27Å; L200-Y262 HydrophobicContact CG-CD2 4.42Å |
| 201 | A | 95.2 | Very high | 94.3 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L197 V198 D199 A203 H204 Y210 L218 | L197-A201 WeakPolarHBondContact O-CB 3.29Å; L197-A201 PolarHBondContact O-N 2.76Å; V198-A201 PolarHBondContact O-N 2.85Å; V198-A201 VanDerWaalsContact O-N 3.15Å; D199-A201 PolarHBondContact O-N 2.85Å; A201-A203 VanDerWaalsContact C-N 3.33Å; A201-A203 PolarHBondContact O-N 3.03Å; A201-H204 CarbonylContact O-C 3.54Å; A201-H204 PolarHBondContact O-N 2.97Å; A201-Y210 HydrophobicContact CB-CD1 4.45Å; A201-Y210 HydrophobicContact CB-CG 4.44Å; A201-L218 HydrophobicContact CB-CD1 3.87Å |
| 202 | L | 95 | Very high | 94.3 | Very high | 133 Ų | 133 | 61.7 Ų | 61.7 | 70% | 0.696 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.7 | -37.5 | 178.2 | -70.8 | 173.3 | 0 | 0 | 0 | 112.2 | V198 D199 | V198-L202 HydrophobicContact CG1-CD1 4.08Å; V198-L202 WeakPolarHBondContact O-CG 3.34Å; V198-L202 PolarHBondContact O-N 3.4Å; D199-L202 PolarHBondContact O-N 3Å |
| 203 | A | 95.5 | Very high | 94.4 | Very high | 52 Ų | 52 | 66.5 Ų | 66.5 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -76.4 | -25.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | D199 A201 P205 Y262 | D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 2.65Å; A201-A203 VanDerWaalsContact C-N 3.33Å; A201-A203 PolarHBondContact O-N 3.03Å; A203-P205 VanDerWaalsContact C-CD 3.45Å; A203-Y262 HydrophobicContact CB-CE1 4.4Å; A203-Y262 WeakPolarHBondContact CB-OH 3.17Å |
| 204 | H | 95.1 | Very high | 94.4 | Very high | 40 Ų | 40 | 72.5 Ų | 72.5 | 19% | 0.185 | 38% | 0.378 | C | S | . | . | trans | -129 | 59.5 | -174.9 | -63.8 | -84.1 | 0 | 0 | 0 | 112.5 | L200 A201 K206 E207 C208 W220 | L200-H204 PolarHBondContact O-N 3.32Å; A201-H204 CarbonylContact O-C 3.54Å; A201-H204 PolarHBondContact O-N 2.97Å; H204-K206 PolarHBondContact O-N 3.14Å; H204-K206 VanDerWaalsContact O-N 3.15Å; H204-E207 PolarHBondContact O-N 2.8Å; H204-C208 WeakPolarHBondContact O-CB 3.14Å; H204-C208 PolarHBondContact O-N 3.4Å; H204-C208 PolarHBondContact O-SG 3.48Å; H204-W220 HydrophobicContact CB-CH2 4.33Å; H204-W220 HydrophobicContact CB-CZ3 3.94Å; H204-W220 AromaticContact CG-CZ3 3.97Å | ||
| 205 | P | 93.9 | Very high | 94.1 | Very high | 99 Ų | 99 | 73.5 Ų | 73.5 | 64% | 0.643 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.5 | -173.7 | 28.1 | -36.4 | 0 | 0 | 0 | 114 | A203 | A203-P205 VanDerWaalsContact C-CD 3.45Š|
| 206 | K | 94.1 | Very high | 94 | Very high | 187 Ų | 187 | 77.5 Ų | 77.5 | 81% | 0.813 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -38.4 | 179.2 | -66.9 | -178.6 | -179.5 | 177.6 | 0 | 111.9 | H204 | H204-K206 PolarHBondContact O-N 3.14Å; H204-K206 VanDerWaalsContact O-N 3.15Å |
| 207 | E | 93.6 | Very high | 93.9 | Very high | 67 Ų | 67 | 71.6 Ų | 71.6 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -29.5 | -176.6 | -58.6 | 76.9 | -167.2 | 0 | 0 | 112.1 | H204 W220 R221 | H204-E207 PolarHBondContact O-N 2.8Å; E207-W220 HydrophobicContact CB-CD2 4.26Å; E207-W220 HydrophobicContact CB-CE3 4.3Å; E207-W220 HydrophobicContact CB-CH2 3.95Å; E207-W220 HydrophobicContact CB-CZ2 3.93Å; E207-W220 HydrophobicContact CB-CZ3 4.14Å; E207-W220 HydrophobicContact CG-CH2 4.31Å; E207-W220 HydrophobicContact CG-CZ2 4.17Å; E207-W220 CarbonylContact O-C 3.52Å; E207-W220 WeakPolarHBondContact O-CA 3.35Å; E207-R221 PolarHBondContact O-N 2.8Å |
| 208 | C | 94 | Very high | 94 | Very high | 14 Ų | 14 | 71.3 Ų | 71.3 | 10% | 0.095 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 145.4 | -174.9 | -61.8 | 0 | 0 | 0 | 0 | 113.2 | H204 L218 I219 W220 | H204-C208 WeakPolarHBondContact O-CB 3.14Å; H204-C208 PolarHBondContact O-N 3.4Å; H204-C208 PolarHBondContact O-SG 3.48Å; C208-L218 HydrophobicContact CB-CD1 4.04Å; C208-L218 HydrophobicContact CB-CD2 4Å; C208-L218 HydrophobicContact CB-CG 4.19Å; C208-I219 CarbonylContact C-O 3.56Å; C208-I219 WeakPolarHBondContact CA-O 3.46Å; C208-W220 WeakPolarHBondContact SG-CZ3 3.3Å |
| 209 | S | 94.3 | Very high | 94.1 | Very high | 46 Ų | 46 | 69.9 Ų | 69.9 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 122.6 | 160.8 | 171.9 | 0 | 0 | 0 | 0 | 108.3 | I219 | S209-I219 PolarHBondContact N-O 2.8Å; S209-I219 PolarHBondContact O-N 3.02Å |
| 210 | Y | 95.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 67.7 Ų | 67.7 | 24% | 0.235 | 36% | 0.359 | C | S | . | . | trans | -131.5 | 105.8 | -178.7 | -176.2 | -123.4 | 0 | 0 | 0 | 110.1 | L197 V198 A201 P212 L218 | L197-Y210 HydrophobicContact CB-CD2 4.39Å; L197-Y210 HydrophobicContact CB-CE1 4.17Å; L197-Y210 HydrophobicContact CB-CE2 4.04Å; L197-Y210 HydrophobicContact CD1-CD2 4.33Å; L197-Y210 HydrophobicContact CD1-CE2 3.67Å; V198-Y210 HydrophobicContact CG2-CE1 3.87Å; A201-Y210 HydrophobicContact CB-CD1 4.45Å; A201-Y210 HydrophobicContact CB-CG 4.44Å; Y210-P212 HydrophobicContact CE1-CB 4.38Å; Y210-P212 HydrophobicContact CE1-CG 4.15Å; Y210-P212 HydrophobicContact CE2-CB 4.32Å; Y210-L218 HydrophobicContact CD2-CB 3.92Å; Y210-L218 HydrophobicContact CG-CB 4.44Å | ||
| 211 | E | 93.3 | Very high | 94.2 | Very high | 111 Ų | 111 | 75.4 Ų | 75.4 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | trans | -126.6 | 81.5 | -178.7 | -66.3 | -64.6 | 162.3 | 0 | 0 | 107.5 | E213 I214 N215 | E211-E213 PolarHBondContact O-N 3.43Å; E211-E213 VanDerWaalsContact O-N 3.14Å; E211-I214 HydrophobicContact CB-CB 4.24Å; E211-I214 HydrophobicContact CB-CD1 4.35Å; E211-I214 HydrophobicContact CB-CG1 4.45Å; E211-I214 PolarHBondContact O-N 3.27Å; E211-N215 PolarHBondContact O-N 3.09Å | ||
| 212 | P | 92.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 75.6 Ų | 75.6 | 44% | 0.442 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.4 | -170.6 | 21.2 | -32.4 | 0 | 0 | 0 | 113.9 | Y210 I214 N215 | Y210-P212 HydrophobicContact CE1-CB 4.38Å; Y210-P212 HydrophobicContact CE1-CG 4.15Å; Y210-P212 HydrophobicContact CE2-CB 4.32Å; P212-I214 VanDerWaalsContact C-N 3.31Å; P212-I214 PolarHBondContact O-N 3.48Å; P212-N215 WeakPolarHBondContact CA-O 3.49Å |
| 213 | E | 92.6 | Very high | 93.8 | Very high | 183 Ų | 183 | 74 Ų | 74 | 86% | 0.855 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -29.2 | 176.3 | -61.5 | -62.2 | 167.4 | 0 | 0 | 113 | E211 | E211-E213 PolarHBondContact O-N 3.43Å; E211-E213 VanDerWaalsContact O-N 3.14Å |
| 214 | I | 92.7 | Very high | 93.5 | Very high | 147 Ų | 147 | 76.5 Ų | 76.5 | 75% | 0.754 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -38.9 | -179.4 | -57.7 | 176.2 | 0 | 0 | 0 | 110.5 | E211 P212 | E211-I214 HydrophobicContact CB-CB 4.24Å; E211-I214 HydrophobicContact CB-CD1 4.35Å; E211-I214 HydrophobicContact CB-CG1 4.45Å; E211-I214 PolarHBondContact O-N 3.27Å; P212-I214 VanDerWaalsContact C-N 3.31Å; P212-I214 PolarHBondContact O-N 3.48Å |
| 215 | N | 87.9 | Confident | 93.3 | Very high | 28 Ų | 28 | 75.6 Ų | 75.6 | 15% | 0.15 | 40% | 0.399 | C | S | . | . | trans | -145 | 121.4 | -174.3 | -178.2 | -1 | 0 | 0 | 0 | 111.5 | E211 P212 G217 R230 | E211-N215 PolarHBondContact O-N 3.09Å; P212-N215 WeakPolarHBondContact CA-O 3.49Å; N215-G217 VanDerWaalsContact CG-O 3.3Å; N215-G217 PolarHBondContact ND2-O 3.45Å; N215-G217 PolarHBondContact O-N 3.24Å; N215-G217 VanDerWaalsContact O-N 3.08Å; N215-G217 PolarHBondContact OD1-N 3.5Å; N215-G217 PolarHBondContact OD1-O 2.87Å; N215-R230 PolarHBondContact OD1-NE 3Å; N215-R230 PolarHBondContact OD1-NH2 3.09Å | ||
| 216 | T | 92 | Very high | 93.3 | Very high | 94 Ų | 94 | 79.7 Ų | 79.7 | 58% | 0.577 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -62.6 | -15.5 | 178.9 | 59.3 | 0 | 0 | 0 | 0 | 115.4 | ||
| 217 | G | 93.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -117.4 | 147.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N215 I231 | N215-G217 VanDerWaalsContact CG-O 3.3Å; N215-G217 PolarHBondContact ND2-O 3.45Å; N215-G217 PolarHBondContact O-N 3.24Å; N215-G217 VanDerWaalsContact O-N 3.08Å; N215-G217 PolarHBondContact OD1-N 3.5Å; N215-G217 PolarHBondContact OD1-O 2.87Å; G217-I231 CarbonylContact C-O 3.32Å; G217-I231 WeakPolarHBondContact CA-O 3.17Å |
| 218 | L | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 134.4 | 171.7 | -177.3 | 150.8 | 0 | 0 | 0 | 109.9 | L197 L200 A201 C208 Y210 W220 R230 I231 | L197-L218 HydrophobicContact CD1-CB 4.31Å; L197-L218 HydrophobicContact CD2-CB 4.21Å; L200-L218 HydrophobicContact CB-CD1 4.36Å; L200-L218 HydrophobicContact CD2-CD1 4.04Å; L200-L218 HydrophobicContact CD2-CD2 4.46Å; L200-L218 HydrophobicContact CG-CD1 4.12Å; A201-L218 HydrophobicContact CB-CD1 3.87Å; C208-L218 HydrophobicContact CB-CD1 4.04Å; C208-L218 HydrophobicContact CB-CD2 4Å; C208-L218 HydrophobicContact CB-CG 4.19Å; Y210-L218 HydrophobicContact CD2-CB 3.92Å; Y210-L218 HydrophobicContact CG-CB 4.44Å; L218-W220 HydrophobicContact CD2-CB 4.06Å; L218-R230 CarbonylContact O-C 3.57Å; L218-R230 WeakPolarHBondContact O-CA 3.33Å; L218-I231 HydrophobicContact CD2-CD1 3.95Å; L218-I231 PolarHBondContact N-O 2.98Å; L218-I231 PolarHBondContact O-N 3.42Å |
| 219 | I | 96.9 | Very high | 93.6 | Very high | 52 Ų | 52 | 70.1 Ų | 70.1 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 114.2 | 173.3 | -57.9 | 177.7 | 0 | 0 | 0 | 108 | C208 S209 T228 | C208-I219 CarbonylContact C-O 3.56Å; C208-I219 WeakPolarHBondContact CA-O 3.46Å; S209-I219 PolarHBondContact N-O 2.8Å; S209-I219 PolarHBondContact O-N 3.02Å; I219-T228 HydrophobicContact CG2-CG2 3.69Å |
| 220 | W | 96.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 72.8 Ų | 72.8 | 8% | 0.076 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.5 | 172.8 | 178.9 | -76.8 | 0 | 0 | 0 | 110 | L200 H204 E207 C208 L218 L229 I231 L255 V258 | L200-W220 HydrophobicContact CD1-CZ3 4.34Å; H204-W220 HydrophobicContact CB-CH2 4.33Å; H204-W220 HydrophobicContact CB-CZ3 3.94Å; H204-W220 AromaticContact CG-CZ3 3.97Å; E207-W220 HydrophobicContact CB-CD2 4.26Å; E207-W220 HydrophobicContact CB-CE3 4.3Å; E207-W220 HydrophobicContact CB-CH2 3.95Å; E207-W220 HydrophobicContact CB-CZ2 3.93Å; E207-W220 HydrophobicContact CB-CZ3 4.14Å; E207-W220 HydrophobicContact CG-CH2 4.31Å; E207-W220 HydrophobicContact CG-CZ2 4.17Å; E207-W220 CarbonylContact O-C 3.52Å; E207-W220 WeakPolarHBondContact O-CA 3.35Å; C208-W220 WeakPolarHBondContact SG-CZ3 3.3Å; L218-W220 HydrophobicContact CD2-CB 4.06Å; W220-L229 HydrophobicContact CB-CB 4.14Å; W220-L229 PolarHBondContact N-O 3.07Å; W220-L229 PolarHBondContact O-N 3.48Å; W220-I231 HydrophobicContact CB-CD1 3.75Å; W220-I231 HydrophobicContact CG-CD1 4.41Å; W220-L255 HydrophobicContact CD2-CD1 3.77Å; W220-L255 HydrophobicContact CE3-CD1 4.06Å; W220-L255 HydrophobicContact CG-CD1 4.21Å; W220-L255 HydrophobicContact CH2-CD1 4.46Å; W220-L255 HydrophobicContact CZ2-CD1 4.16Å; W220-L255 HydrophobicContact CZ3-CD1 4.41Å; W220-V258 HydrophobicContact CH2-CG1 4.24Å; W220-V258 HydrophobicContact CZ3-CG1 4.39Å |
| 221 | R | 95.9 | Very high | 93.8 | Very high | 161 Ų | 161 | 70 Ų | 70 | 61% | 0.608 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 106.1 | 178.2 | -65.3 | -179.5 | -180 | 166.9 | 1.8 | 109.4 | E207 | E207-R221 PolarHBondContact O-N 2.8Å |
| 222 | N | 93 | Very high | 93.9 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 131.7 | 174.6 | -167.5 | 45.5 | 0 | 0 | 0 | 110.3 | S224 P225 K226 L227 L229 | N222-S224 VanDerWaalsContact ND2-C 3.31Å; N222-S224 PolarHBondContact ND2-O 2.84Å; N222-S224 VanDerWaalsContact ND2-O 3.12Å; N222-P225 WeakPolarHBondContact ND2-CD 3.39Å; N222-P225 PolarHBondContact ND2-O 3.42Å; N222-K226 WeakPolarHBondContact O-CA 3.46Å; N222-L227 HydrophobicContact CB-CB 4.25Å; N222-L227 PolarHBondContact N-O 2.78Å; N222-L227 PolarHBondContact O-N 2.81Å; N222-L229 HydrophobicContact CB-CD1 3.86Å |
| 223 | S | 90.4 | Very high | 94 | Very high | 101 Ų | 101 | 66.3 Ų | 66.3 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -39.5 | -175.6 | -68.3 | 0 | 0 | 0 | 0 | 113.1 | K226 | S223-K226 VanDerWaalsContact O-CG 3.32Å; S223-K226 WeakPolarHBondContact O-CG 3.43Å |
| 224 | S | 88.9 | Confident | 94 | Very high | 103 Ų | 103 | 60.7 Ų | 60.7 | 72% | 0.72 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.1 | 113.1 | -179.8 | -168.9 | 0 | 0 | 0 | 0 | 110 | N222 | N222-S224 VanDerWaalsContact ND2-C 3.31Å; N222-S224 PolarHBondContact ND2-O 2.84Å; N222-S224 VanDerWaalsContact ND2-O 3.12Å |
| 225 | P | 90.4 | Very high | 94.1 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 14% | 0.143 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -62.6 | 152.1 | -11.4 | 26.7 | -34.4 | 0 | 0 | 0 | 112.3 | N222 L227 N247 | N222-P225 WeakPolarHBondContact ND2-CD 3.39Å; N222-P225 PolarHBondContact ND2-O 3.42Å; P225-L227 HydrophobicContact CB-CD1 4.49Å; P225-L227 HydrophobicContact CB-CD2 4.42Å; P225-L227 HydrophobicContact CB-CG 4.11Å; P225-L227 HydrophobicContact CG-CD1 3.8Å; P225-L227 HydrophobicContact CG-CG 3.9Å; P225-L227 PolarHBondContact O-N 3.4Å; P225-N247 HydrophobicContact CB-CB 4.09Å; P225-N247 HydrophobicContact CG-CB 3.81Å |
| 226 | K | 93.8 | Very high | 94.4 | Very high | 184 Ų | 184 | 54.2 Ų | 54.2 | 80% | 0.8 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 90.9 | 177.2 | -70.4 | -176.9 | -179.1 | 179 | 0 | 111.1 | N222 S223 | N222-K226 WeakPolarHBondContact O-CA 3.46Å; S223-K226 VanDerWaalsContact O-CG 3.32Å; S223-K226 WeakPolarHBondContact O-CG 3.43Å |
| 227 | L | 96 | Very high | 94.6 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.3 | -176.9 | -55.5 | -174.9 | 0 | 0 | 0 | 111.2 | N222 P225 L229 I239 G241 A242 N247 A251 | N222-L227 HydrophobicContact CB-CB 4.25Å; N222-L227 PolarHBondContact N-O 2.78Å; N222-L227 PolarHBondContact O-N 2.81Å; P225-L227 HydrophobicContact CB-CD1 4.49Å; P225-L227 HydrophobicContact CB-CD2 4.42Å; P225-L227 HydrophobicContact CB-CG 4.11Å; P225-L227 HydrophobicContact CG-CD1 3.8Å; P225-L227 HydrophobicContact CG-CG 3.9Å; P225-L227 PolarHBondContact O-N 3.4Å; L227-L229 HydrophobicContact CB-CD1 4Å; L227-I239 HydrophobicContact CD1-CG2 4Å; L227-G241 WeakPolarHBondContact CD2-O 3.12Å; L227-A242 HydrophobicContact CD1-CB 4.35Å; L227-A242 HydrophobicContact CD2-CB 3.68Å; L227-A242 VanDerWaalsContact CD2-N 3.31Å; L227-N247 WeakPolarHBondContact CD1-O 3.43Å; L227-A251 HydrophobicContact CD1-CB 3.53Å |
| 228 | T | 96.2 | Very high | 94.7 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.7 | 172.1 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | I219 T240 | I219-T228 HydrophobicContact CG2-CG2 3.69Å; T228-T240 PolarHBondContact N-O 3.2Å; T228-T240 PolarHBondContact O-N 3.17Å; T228-T240 PolarHBondContact O-OG1 3.34Å; T228-T240 VanDerWaalsContact O-OG1 3.06Å |
| 229 | L | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.7 | 178.6 | -64.9 | 88.7 | 0 | 0 | 0 | 108.6 | W220 N222 L227 V237 T238 I239 L255 | W220-L229 HydrophobicContact CB-CB 4.14Å; W220-L229 PolarHBondContact N-O 3.07Å; W220-L229 PolarHBondContact O-N 3.48Å; N222-L229 HydrophobicContact CB-CD1 3.86Å; L227-L229 HydrophobicContact CB-CD1 4Å; L229-V237 HydrophobicContact CD2-CG1 4.42Å; L229-T238 CarbonylContact C-O 3.58Å; L229-T238 WeakPolarHBondContact CA-O 3.49Å; L229-I239 HydrophobicContact CD2-CD1 3.99Å; L229-I239 HydrophobicContact CD2-CG1 3.73Å; L229-I239 HydrophobicContact CD2-CG2 4.45Å; L229-I239 HydrophobicContact CG-CB 4.42Å; L229-I239 HydrophobicContact CG-CG1 3.98Å; L229-I239 HydrophobicContact CG-CG2 4.17Å; L229-L255 HydrophobicContact CB-CD2 4.35Å; L229-L255 HydrophobicContact CD2-CD2 3.43Å; L229-L255 VanDerWaalsContact CD2-CD2 3.43Å; L229-L255 HydrophobicContact CG-CD2 4.45Å |
| 230 | R | 96.6 | Very high | 94.7 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.2 | 174.7 | -174.3 | 176.2 | -177.8 | 179.8 | -5.9 | 108.9 | N215 L218 V237 T238 | N215-R230 PolarHBondContact OD1-NE 3Å; N215-R230 PolarHBondContact OD1-NH2 3.09Å; L218-R230 CarbonylContact O-C 3.57Å; L218-R230 WeakPolarHBondContact O-CA 3.33Å; R230-V237 CarbonylContact O-C 3.41Å; R230-V237 WeakPolarHBondContact O-CA 3.48Å; R230-T238 PolarHBondContact N-O 3.05Å; R230-T238 PolarHBondContact O-N 3.03Å |
| 231 | I | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.9 | -172.3 | -57.6 | 156.3 | 0 | 0 | 0 | 108.5 | L195 L197 G217 L218 W220 V237 L255 L259 | L195-I231 HydrophobicContact CD1-CG2 3.34Å; L197-I231 HydrophobicContact CD2-CG2 3.94Å; G217-I231 CarbonylContact C-O 3.32Å; G217-I231 WeakPolarHBondContact CA-O 3.17Å; L218-I231 HydrophobicContact CD2-CD1 3.95Å; L218-I231 PolarHBondContact N-O 2.98Å; L218-I231 PolarHBondContact O-N 3.42Å; W220-I231 HydrophobicContact CB-CD1 3.75Å; W220-I231 HydrophobicContact CG-CD1 4.41Å; I231-V237 HydrophobicContact CG1-CG1 4.18Å; I231-V237 HydrophobicContact CG1-CG2 4.31Å; I231-V237 HydrophobicContact CG2-CG2 4.34Å; I231-L255 HydrophobicContact CD1-CD1 4.39Å; I231-L255 HydrophobicContact CD1-CD2 3.96Å; I231-L255 HydrophobicContact CG1-CD2 4.4Å; I231-L259 HydrophobicContact CD1-CD2 4.12Å; I231-L259 HydrophobicContact CG2-CD2 4.43Å |
| 232 | H | 96 | Very high | 94.5 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 17% | 0.171 | 26% | 0.26 | C | S | . | . | trans | -101.3 | 153.5 | 176.4 | -66.5 | -86.6 | 0 | 0 | 0 | 111 | T234 G235 S236 | H232-T234 PolarHBondContact O-N 2.91Å; H232-T234 VanDerWaalsContact O-N 3.1Å; H232-G235 PolarHBondContact O-N 3.49Å; H232-S236 PolarHBondContact N-O 3.15Å | ||
| 233 | S | 94.4 | Very high | 94.6 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.3 | 177.1 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | G194 L195 G235 | G194-S233 CarbonylContact C-O 3.52Å; G194-S233 VanDerWaalsContact CA-O 3.24Å; G194-S233 WeakPolarHBondContact CA-O 3.44Å; L195-S233 PolarHBondContact N-O 2.81Å; S233-G235 PolarHBondContact O-N 2.83Å |
| 234 | T | 93.4 | Very high | 94.8 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 40% | 0.399 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -0.3 | 172.8 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | K190 H232 S236 Y266 | K190-T234 PolarHBondContact NZ-O 2.8Å; H232-T234 PolarHBondContact O-N 2.91Å; H232-T234 VanDerWaalsContact O-N 3.1Å; T234-S236 PolarHBondContact O-N 3.08Å; T234-S236 PolarHBondContact OG1-OG 3.33Å; T234-Y266 PolarHBondContact O-OH 2.83Å |
| 235 | G | 93.3 | Very high | 95 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 75.7 | 8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L191 F193 H232 S233 | L191-G235 WeakPolarHBondContact CB-O 3.12Å; L191-G235 VanDerWaalsContact CG-O 3.31Å; L191-G235 WeakPolarHBondContact CG-O 3.3Å; L191-G235 PolarHBondContact N-O 3.06Å; F193-G235 WeakPolarHBondContact O-CA 3.34Å; H232-G235 PolarHBondContact O-N 3.49Å; S233-G235 PolarHBondContact O-N 2.83Å |
| 236 | S | 94.8 | Very high | 95.2 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.3 | 167.7 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | K190 H232 T234 | K190-S236 WeakPolarHBondContact CD-OG 3.38Å; K190-S236 PolarHBondContact NZ-OG 3.03Å; H232-S236 PolarHBondContact N-O 3.15Å; T234-S236 PolarHBondContact O-N 3.08Å; T234-S236 PolarHBondContact OG1-OG 3.33Å |
| 237 | V | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130 | 179.9 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | S188 C189 L191 L229 R230 I231 I239 L259 | S188-V237 CarbonylContact C-O 3.57Å; S188-V237 WeakPolarHBondContact CA-O 3.4Å; C189-V237 HydrophobicContact CB-CB 4.24Å; C189-V237 PolarHBondContact N-O 2.86Å; C189-V237 PolarHBondContact O-N 2.85Å; L191-V237 HydrophobicContact CD1-CG2 3.97Å; L191-V237 HydrophobicContact CG-CG2 4.33Å; L229-V237 HydrophobicContact CD2-CG1 4.42Å; R230-V237 CarbonylContact O-C 3.41Å; R230-V237 WeakPolarHBondContact O-CA 3.48Å; I231-V237 HydrophobicContact CG1-CG1 4.18Å; I231-V237 HydrophobicContact CG1-CG2 4.31Å; I231-V237 HydrophobicContact CG2-CG2 4.34Å; V237-I239 HydrophobicContact CG1-CG1 4.22Å; V237-L259 HydrophobicContact CG2-CD1 4.37Å |
| 238 | T | 96.6 | Very high | 95.2 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 27% | 0.27 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125 | 172.6 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | M186 A187 L229 R230 T240 | M186-T238 HydrophobicContact CG-CG2 4.12Å; M186-T238 HydrophobicContact SD-CG2 4.47Å; A187-T238 CarbonylContact O-C 3.56Å; A187-T238 WeakPolarHBondContact O-CA 3.45Å; L229-T238 CarbonylContact C-O 3.58Å; L229-T238 WeakPolarHBondContact CA-O 3.49Å; R230-T238 PolarHBondContact N-O 3.05Å; R230-T238 PolarHBondContact O-N 3.03Å; T238-T240 HydrophobicContact CG2-CG2 4.25Å |
| 239 | I | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.5 | -177.8 | -53 | 176 | 0 | 0 | 0 | 107.8 | L90 M186 A187 L227 L229 V237 V248 M252 | L90-I239 HydrophobicContact CD1-CD1 4.3Å; M186-I239 VanDerWaalsContact CA-O 3.29Å; M186-I239 WeakPolarHBondContact CA-O 3.38Å; A187-I239 HydrophobicContact CB-CB 4.45Å; A187-I239 PolarHBondContact N-O 3.09Å; A187-I239 PolarHBondContact O-N 2.87Å; L227-I239 HydrophobicContact CD1-CG2 4Å; L229-I239 HydrophobicContact CD2-CD1 3.99Å; L229-I239 HydrophobicContact CD2-CG1 3.73Å; L229-I239 HydrophobicContact CD2-CG2 4.45Å; L229-I239 HydrophobicContact CG-CB 4.42Å; L229-I239 HydrophobicContact CG-CG1 3.98Å; L229-I239 HydrophobicContact CG-CG2 4.17Å; V237-I239 HydrophobicContact CG1-CG1 4.22Å; I239-V248 HydrophobicContact CB-CG1 4.4Å; I239-V248 HydrophobicContact CD1-CG1 3.73Å; I239-V248 HydrophobicContact CG2-CG1 4.28Å; I239-M252 HydrophobicContact CD1-CB 4.48Å; I239-M252 HydrophobicContact CD1-SD 4.43Å |
| 240 | T | 95.9 | Very high | 94.9 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 24% | 0.239 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 154.8 | 180 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | M186 T228 T238 | M186-T240 HydrophobicContact CB-CG2 4.43Å; M186-T240 HydrophobicContact CE-CG2 3.72Å; M186-T240 HydrophobicContact CG-CG2 4.02Å; T228-T240 PolarHBondContact N-O 3.2Å; T228-T240 PolarHBondContact O-N 3.17Å; T228-T240 PolarHBondContact O-OG1 3.34Å; T228-T240 VanDerWaalsContact O-OG1 3.06Å; T238-T240 HydrophobicContact CG2-CG2 4.25Å |
| 241 | G | 94 | Very high | 94.8 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 96.1 | 1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N184 L227 | N184-G241 VanDerWaalsContact OD1-CA 3.3Å; N184-G241 WeakPolarHBondContact OD1-CA 3.44Å; N184-G241 PolarHBondContact OD1-N 2.81Å; L227-G241 WeakPolarHBondContact CD2-O 3.12Å |
| 242 | A | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 143.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N184 M185 L227 N247 V248 | N184-A242 CarbonylContact C-O 3.56Å; N184-A242 VanDerWaalsContact C-O 3.32Å; N184-A242 WeakPolarHBondContact CA-O 3.38Å; M185-A242 HydrophobicContact CB-CB 4.17Å; M185-A242 WeakPolarHBondContact CB-O 3.48Å; M185-A242 PolarHBondContact N-O 3.5Å; L227-A242 HydrophobicContact CD1-CB 4.35Å; L227-A242 HydrophobicContact CD2-CB 3.68Å; L227-A242 VanDerWaalsContact CD2-N 3.31Å; A242-N247 HydrophobicContact CB-CB 4.24Å; A242-V248 HydrophobicContact CB-CG2 3.42Å; A242-V248 VanDerWaalsContact CB-CG2 3.42Å |
| 243 | T | 94.8 | Very high | 94.5 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 47% | 0.466 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -100.1 | -12.4 | 174.8 | 51.5 | 0 | 0 | 0 | 0 | 113 | I182 N247 | I182-T243 WeakPolarHBondContact CB-O 3.28Å; T243-N247 PolarHBondContact OG1-ND2 3Å; T243-N247 VanDerWaalsContact OG1-ND2 3.16Å |
| 244 | S | 94.2 | Very high | 94.4 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -148.5 | 156.6 | 179.3 | 63.8 | 0 | 0 | 0 | 0 | 110.4 | E153 A246 N247 | E153-S244 WeakPolarHBondContact OE1-CA 2.97Å; S244-A246 VanDerWaalsContact C-N 3.27Å; S244-A246 PolarHBondContact O-N 3.21Å; S244-N247 PolarHBondContact O-N 3.48Å; S244-N247 PolarHBondContact OG-N 2.85Å; S244-N247 PolarHBondContact OG-ND2 3.35Å |
| 245 | E | 93.4 | Very high | 94.4 | Very high | 99 Ų | 99 | 38.3 Ų | 38.3 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.6 | -35.2 | 173.6 | -170.6 | 170.7 | 170.6 | 0 | 0 | 112.5 | E153 M185 N247 V248 L249 | E153-E245 PolarHBondContact OE1-N 2.84Å; E153-E245 VanDerWaalsContact OE1-N 3.11Å; M185-E245 HydrophobicContact CE-CB 4.29Å; M185-E245 HydrophobicContact SD-CB 4.26Å; E245-N247 VanDerWaalsContact C-N 3.3Å; E245-N247 PolarHBondContact O-N 3.1Å; E245-V248 WeakPolarHBondContact O-CB 3.27Å; E245-V248 PolarHBondContact O-N 3.33Å; E245-L249 PolarHBondContact O-N 3.44Å; E245-L249 VanDerWaalsContact O-N 3.09Å |
| 246 | A | 94 | Very high | 94.4 | Very high | 64 Ų | 64 | 40 Ų | 40 | 53% | 0.529 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.8 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S244 V248 L249 S250 | S244-A246 VanDerWaalsContact C-N 3.27Å; S244-A246 PolarHBondContact O-N 3.21Å; A246-V248 VanDerWaalsContact C-N 3.3Å; A246-V248 PolarHBondContact O-N 3.24Å; A246-L249 PolarHBondContact O-N 3.37Å; A246-S250 WeakPolarHBondContact O-CB 3.45Å; A246-S250 PolarHBondContact O-N 3.43Å |
| 247 | N | 94.9 | Very high | 94.3 | Very high | 47 Ų | 47 | 41.4 Ų | 41.4 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 176.1 | -76.3 | -14.2 | 0 | 0 | 0 | 111.8 | P225 L227 A242 T243 S244 E245 A251 | P225-N247 HydrophobicContact CB-CB 4.09Å; P225-N247 HydrophobicContact CG-CB 3.81Å; L227-N247 WeakPolarHBondContact CD1-O 3.43Å; A242-N247 HydrophobicContact CB-CB 4.24Å; T243-N247 PolarHBondContact OG1-ND2 3Å; T243-N247 VanDerWaalsContact OG1-ND2 3.16Å; S244-N247 PolarHBondContact O-N 3.48Å; S244-N247 PolarHBondContact OG-N 2.85Å; S244-N247 PolarHBondContact OG-ND2 3.35Å; E245-N247 VanDerWaalsContact C-N 3.3Å; E245-N247 PolarHBondContact O-N 3.1Å; N247-A251 WeakPolarHBondContact O-CB 3.39Å; N247-A251 PolarHBondContact O-N 2.89Å |
| 248 | V | 94.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | L90 M185 A187 I239 A242 E245 A246 A251 M252 | L90-V248 HydrophobicContact CD1-CG1 3.96Å; L90-V248 HydrophobicContact CD2-CG1 4.03Å; L90-V248 HydrophobicContact CG-CG1 4.47Å; M185-V248 HydrophobicContact SD-CG2 3.96Å; A187-V248 HydrophobicContact CB-CG1 3.55Å; A187-V248 HydrophobicContact CB-CG2 4.37Å; I239-V248 HydrophobicContact CB-CG1 4.4Å; I239-V248 HydrophobicContact CD1-CG1 3.73Å; I239-V248 HydrophobicContact CG2-CG1 4.28Å; A242-V248 HydrophobicContact CB-CG2 3.42Å; A242-V248 VanDerWaalsContact CB-CG2 3.42Å; E245-V248 WeakPolarHBondContact O-CB 3.27Å; E245-V248 PolarHBondContact O-N 3.33Å; A246-V248 VanDerWaalsContact C-N 3.3Å; A246-V248 PolarHBondContact O-N 3.24Å; V248-A251 PolarHBondContact O-N 3.33Å; V248-M252 PolarHBondContact O-N 3.09Å; V248-M252 VanDerWaalsContact O-N 3.07Å |
| 249 | L | 93.4 | Very high | 94.1 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 41% | 0.408 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -51.9 | 179.2 | -70.3 | 168.2 | 0 | 0 | 0 | 111.5 | L90 E245 A246 A251 M252 D253 | L90-L249 HydrophobicContact CD2-CD2 3.48Å; L90-L249 VanDerWaalsContact CD2-CD2 3.48Å; L90-L249 HydrophobicContact CD2-CG 4.23Å; E245-L249 PolarHBondContact O-N 3.44Å; E245-L249 VanDerWaalsContact O-N 3.09Å; A246-L249 PolarHBondContact O-N 3.37Å; L249-A251 VanDerWaalsContact C-N 3.29Å; L249-A251 PolarHBondContact O-N 3.36Å; L249-M252 WeakPolarHBondContact O-CA 3.48Å; L249-M252 WeakPolarHBondContact O-CB 3.38Å; L249-M252 PolarHBondContact O-N 3.02Å; L249-D253 PolarHBondContact O-N 3.18Å |
| 250 | S | 93.6 | Very high | 93.9 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 42% | 0.42 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.5 | -40.7 | 179.6 | 174.8 | 0 | 0 | 0 | 0 | 112.9 | A246 D253 S254 | A246-S250 WeakPolarHBondContact O-CB 3.45Å; A246-S250 PolarHBondContact O-N 3.43Å; S250-D253 PolarHBondContact O-N 2.88Å; S250-S254 PolarHBondContact O-N 3.24Å; S250-S254 VanDerWaalsContact O-N 3.09Å; S250-S254 PolarHBondContact O-OG 2.87Å |
| 251 | A | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L227 N247 V248 L249 S254 L255 | L227-A251 HydrophobicContact CD1-CB 3.53Å; N247-A251 WeakPolarHBondContact O-CB 3.39Å; N247-A251 PolarHBondContact O-N 2.89Å; V248-A251 PolarHBondContact O-N 3.33Å; L249-A251 VanDerWaalsContact C-N 3.29Å; L249-A251 PolarHBondContact O-N 3.36Å; A251-S254 PolarHBondContact O-N 3.45Å; A251-S254 PolarHBondContact O-OG 2.88Å; A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.33Å; A251-L255 PolarHBondContact O-N 2.75Å |
| 252 | M | 93.7 | Very high | 93.9 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 4% | 0.044 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.9 | -42 | 176.2 | -168 | 63.1 | -149 | 0 | 0 | 111.8 | I88 C189 L191 I239 V248 L249 S254 L255 Y256 | I88-M252 HydrophobicContact CD1-CE 4.27Å; C189-M252 HydrophobicContact CB-SD 4.41Å; L191-M252 HydrophobicContact CD2-CE 3.74Å; I239-M252 HydrophobicContact CD1-CB 4.48Å; I239-M252 HydrophobicContact CD1-SD 4.43Å; V248-M252 PolarHBondContact O-N 3.09Å; V248-M252 VanDerWaalsContact O-N 3.07Å; L249-M252 WeakPolarHBondContact O-CA 3.48Å; L249-M252 WeakPolarHBondContact O-CB 3.38Å; L249-M252 PolarHBondContact O-N 3.02Å; M252-S254 VanDerWaalsContact C-N 3.3Å; M252-S254 PolarHBondContact O-N 3.39Å; M252-L255 PolarHBondContact O-N 2.9Å; M252-Y256 HydrophobicContact CE-CD2 3.79Å; M252-Y256 HydrophobicContact CE-CG 4.38Å; M252-Y256 VanDerWaalsContact O-CB 3.28Å; M252-Y256 WeakPolarHBondContact O-CB 3.33Å; M252-Y256 PolarHBondContact O-N 3.03Å |
| 253 | D | 92.5 | Very high | 93.8 | Very high | 116 Ų | 116 | 55.6 Ų | 55.6 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.4 | -38.1 | 177 | -67.8 | -24.3 | 0 | 0 | 0 | 111.9 | L249 S250 P257 | L249-D253 PolarHBondContact O-N 3.18Å; S250-D253 PolarHBondContact O-N 2.88Å; D253-P257 WeakPolarHBondContact O-CD 3.49Å |
| 254 | S | 92.5 | Very high | 93.7 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -72.7 | -35.9 | 176 | 71.8 | 0 | 0 | 0 | 0 | 113.4 | S250 A251 M252 | S250-S254 PolarHBondContact O-N 3.24Å; S250-S254 VanDerWaalsContact O-N 3.09Å; S250-S254 PolarHBondContact O-OG 2.87Å; A251-S254 PolarHBondContact O-N 3.45Å; A251-S254 PolarHBondContact O-OG 2.88Å; M252-S254 VanDerWaalsContact C-N 3.3Å; M252-S254 PolarHBondContact O-N 3.39Å |
| 255 | L | 93.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -82.9 | -36 | -174.7 | 178.6 | 62 | 0 | 0 | 0 | 112.1 | W220 L229 I231 A251 M252 V258 L259 | W220-L255 HydrophobicContact CD2-CD1 3.77Å; W220-L255 HydrophobicContact CE3-CD1 4.06Å; W220-L255 HydrophobicContact CG-CD1 4.21Å; W220-L255 HydrophobicContact CH2-CD1 4.46Å; W220-L255 HydrophobicContact CZ2-CD1 4.16Å; W220-L255 HydrophobicContact CZ3-CD1 4.41Å; L229-L255 HydrophobicContact CB-CD2 4.35Å; L229-L255 HydrophobicContact CD2-CD2 3.43Å; L229-L255 VanDerWaalsContact CD2-CD2 3.43Å; L229-L255 HydrophobicContact CG-CD2 4.45Å; I231-L255 HydrophobicContact CD1-CD1 4.39Å; I231-L255 HydrophobicContact CD1-CD2 3.96Å; I231-L255 HydrophobicContact CG1-CD2 4.4Å; A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.33Å; A251-L255 PolarHBondContact O-N 2.75Å; M252-L255 PolarHBondContact O-N 2.9Å; L255-V258 WeakPolarHBondContact O-CB 3.34Å; L255-V258 PolarHBondContact O-N 3.27Å; L255-L259 HydrophobicContact CD1-CD1 4.41Å; L255-L259 HydrophobicContact CD1-CD2 4.04Å; L255-L259 HydrophobicContact CD1-CG 3.98Å; L255-L259 HydrophobicContact CD2-CD1 3.96Å; L255-L259 HydrophobicContact CD2-CG 4.43Å; L255-L259 HydrophobicContact CG-CD1 3.78Å; L255-L259 HydrophobicContact CG-CD2 4.31Å; L255-L259 HydrophobicContact CG-CG 3.81Å; L255-L259 WeakPolarHBondContact O-CG 3.15Å; L255-L259 PolarHBondContact O-N 3.23Å |
| 256 | Y | 93.3 | Very high | 92.1 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 14% | 0.137 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.4 | -45.5 | -173.8 | -173.6 | -108.1 | 0 | 0 | 0 | 114.2 | L84 I88 L191 F193 M252 V258 L259 L260 | L84-Y256 HydrophobicContact CD2-CE1 4.14Å; L84-Y256 WeakPolarHBondContact CD2-OH 3.33Å; I88-Y256 HydrophobicContact CD1-CD1 4.35Å; I88-Y256 HydrophobicContact CD1-CD2 3.39Å; I88-Y256 HydrophobicContact CD1-CE1 4.26Å; I88-Y256 HydrophobicContact CD1-CE2 3.29Å; I88-Y256 HydrophobicContact CD1-CG 3.94Å; I88-Y256 HydrophobicContact CG1-CE2 4.04Å; L191-Y256 HydrophobicContact CD2-CD2 3.85Å; L191-Y256 HydrophobicContact CD2-CE2 3.77Å; F193-Y256 HydrophobicContact CE1-CE2 4.34Å; F193-Y256 HydrophobicContact CZ-CE2 4.16Å; M252-Y256 HydrophobicContact CE-CD2 3.79Å; M252-Y256 HydrophobicContact CE-CG 4.38Å; M252-Y256 VanDerWaalsContact O-CB 3.28Å; M252-Y256 WeakPolarHBondContact O-CB 3.33Å; M252-Y256 PolarHBondContact O-N 3.03Å; Y256-V258 VanDerWaalsContact C-N 3.28Å; Y256-V258 PolarHBondContact O-N 2.7Å; Y256-L259 PolarHBondContact O-N 2.88Å; Y256-L260 HydrophobicContact CD1-CD1 3.87Å; Y256-L260 HydrophobicContact CD1-CG 4.32Å; Y256-L260 HydrophobicContact CE1-CD1 3.55Å; Y256-L260 HydrophobicContact CE1-CD2 4.29Å; Y256-L260 HydrophobicContact CE1-CG 4Å; Y256-L260 WeakPolarHBondContact O-CG 3.44Å; Y256-L260 PolarHBondContact O-N 2.82Å |
| 257 | P | 93.4 | Very high | 90.2 | Very high | 70 Ų | 70 | 64.1 Ų | 64.1 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -33.3 | 176.7 | -22.6 | 34.6 | 0 | 0 | 0 | 113.5 | D253 | D253-P257 WeakPolarHBondContact O-CD 3.49Å |
| 258 | V | 94.1 | Very high | 88.1 | Confident | 26 Ų | 26 | 67 Ų | 67 | 16% | 0.158 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.4 | -47.3 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | L200 W220 L255 Y256 L260 R261 Y262 | L200-V258 HydrophobicContact CD1-CG1 3.87Å; W220-V258 HydrophobicContact CH2-CG1 4.24Å; W220-V258 HydrophobicContact CZ3-CG1 4.39Å; L255-V258 WeakPolarHBondContact O-CB 3.34Å; L255-V258 PolarHBondContact O-N 3.27Å; Y256-V258 VanDerWaalsContact C-N 3.28Å; Y256-V258 PolarHBondContact O-N 2.7Å; V258-L260 VanDerWaalsContact C-N 3.3Å; V258-L260 PolarHBondContact O-N 2.67Å; V258-R261 WeakPolarHBondContact O-CB 3.31Å; V258-R261 PolarHBondContact O-N 3.23Å; V258-Y262 HydrophobicContact CG1-CE2 4.28Å; V258-Y262 VanDerWaalsContact O-CD2 3.27Å; V258-Y262 WeakPolarHBondContact O-CD2 3.24Å |
| 259 | L | 94.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.7 | -35.1 | -179.3 | -63.9 | -175 | 0 | 0 | 0 | 113 | L191 L195 L200 I231 V237 L255 Y256 R261 Y262 K263 | L191-L259 HydrophobicContact CD1-CB 4.48Å; L191-L259 HydrophobicContact CD1-CD1 3.58Å; L195-L259 HydrophobicContact CD1-CD1 4.39Å; L195-L259 HydrophobicContact CD1-CD2 4.03Å; L195-L259 HydrophobicContact CD2-CB 4.09Å; L195-L259 HydrophobicContact CD2-CD2 4.34Å; L195-L259 WeakPolarHBondContact CD2-O 3.33Å; L200-L259 HydrophobicContact CD2-CD2 3.81Å; I231-L259 HydrophobicContact CD1-CD2 4.12Å; I231-L259 HydrophobicContact CG2-CD2 4.43Å; V237-L259 HydrophobicContact CG2-CD1 4.37Å; L255-L259 HydrophobicContact CD1-CD1 4.41Å; L255-L259 HydrophobicContact CD1-CD2 4.04Å; L255-L259 HydrophobicContact CD1-CG 3.98Å; L255-L259 HydrophobicContact CD2-CD1 3.96Å; L255-L259 HydrophobicContact CD2-CG 4.43Å; L255-L259 HydrophobicContact CG-CD1 3.78Å; L255-L259 HydrophobicContact CG-CD2 4.31Å; L255-L259 HydrophobicContact CG-CG 3.81Å; L255-L259 WeakPolarHBondContact O-CG 3.15Å; L255-L259 PolarHBondContact O-N 3.23Å; Y256-L259 PolarHBondContact O-N 2.88Å; L259-R261 PolarHBondContact O-N 3.22Å; L259-Y262 PolarHBondContact O-N 3.23Å; L259-Y262 VanDerWaalsContact O-N 3.09Å; L259-K263 PolarHBondContact O-N 3.25Å |
| 260 | L | 93.7 | Very high | 82.6 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 20% | 0.199 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.1 | -32.1 | 176.7 | -78.5 | 172.5 | 0 | 0 | 0 | 113.1 | L84 F193 Y256 V258 Y262 K263 | L84-L260 HydrophobicContact CD1-CD1 3.79Å; L84-L260 HydrophobicContact CD2-CD1 4.11Å; L84-L260 HydrophobicContact CD2-CD2 3.87Å; F193-L260 HydrophobicContact CE1-CD2 3.59Å; F193-L260 HydrophobicContact CZ-CD2 3.7Å; F193-L260 HydrophobicContact CZ-CG 4.35Å; Y256-L260 HydrophobicContact CD1-CD1 3.87Å; Y256-L260 HydrophobicContact CD1-CG 4.32Å; Y256-L260 HydrophobicContact CE1-CD1 3.55Å; Y256-L260 HydrophobicContact CE1-CD2 4.29Å; Y256-L260 HydrophobicContact CE1-CG 4Å; Y256-L260 WeakPolarHBondContact O-CG 3.44Å; Y256-L260 PolarHBondContact O-N 2.82Å; V258-L260 VanDerWaalsContact C-N 3.3Å; V258-L260 PolarHBondContact O-N 2.67Å; L260-Y262 PolarHBondContact O-N 2.96Å; L260-K263 WeakPolarHBondContact O-CG 3.44Å; L260-K263 PolarHBondContact O-N 3.5Å |
| 261 | R | 94.5 | Very high | 79.6 | Confident | 187 Ų | 187 | 73.2 Ų | 73.2 | 71% | 0.706 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.2 | -24.2 | 178.7 | -61.8 | 179 | -177.7 | -177 | -1 | 113.1 | V258 L259 | V258-R261 WeakPolarHBondContact O-CB 3.31Å; V258-R261 PolarHBondContact O-N 3.23Å; L259-R261 PolarHBondContact O-N 3.22Å |
| 262 | Y | 94.7 | Very high | 76.8 | Confident | 37 Ų | 37 | 80.6 Ų | 80.6 | 15% | 0.145 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 18.1 | -177 | -56.4 | -83.7 | 0 | 0 | 0 | 112.8 | R196 D199 L200 A203 V258 L259 L260 | R196-Y262 PolarHBondContact N-O 3.44Å; D199-Y262 HydrophobicContact CB-CD1 3.73Å; D199-Y262 HydrophobicContact CB-CE1 3.92Å; L200-Y262 HydrophobicContact CB-CD1 4.34Å; L200-Y262 HydrophobicContact CB-CD2 4.22Å; L200-Y262 HydrophobicContact CB-CG 4.12Å; L200-Y262 HydrophobicContact CD1-CD2 3.52Å; L200-Y262 HydrophobicContact CD1-CE2 3.52Å; L200-Y262 HydrophobicContact CD1-CG 4.27Å; L200-Y262 HydrophobicContact CG-CD2 4.42Å; A203-Y262 HydrophobicContact CB-CE1 4.4Å; A203-Y262 WeakPolarHBondContact CB-OH 3.17Å; V258-Y262 HydrophobicContact CG1-CE2 4.28Å; V258-Y262 VanDerWaalsContact O-CD2 3.27Å; V258-Y262 WeakPolarHBondContact O-CD2 3.24Å; L259-Y262 PolarHBondContact O-N 3.23Å; L259-Y262 VanDerWaalsContact O-N 3.09Å; L260-Y262 PolarHBondContact O-N 2.96Å |
| 263 | K | 93.9 | Very high | 74.1 | Confident | 128 Ų | 128 | 88 Ų | 88 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 142.7 | 179.3 | 73.6 | -178.2 | -177.4 | 176.4 | 0 | 111.8 | F193 G194 L259 L260 | F193-K263 HydrophobicContact CB-CB 4.29Å; F193-K263 HydrophobicContact CD1-CB 4.47Å; F193-K263 HydrophobicContact CD2-CB 3.7Å; F193-K263 HydrophobicContact CE2-CB 4.1Å; F193-K263 HydrophobicContact CG-CB 3.9Å; G194-K263 CarbonylContact O-C 3.53Å; G194-K263 WeakPolarHBondContact O-CA 3.46Å; L259-K263 PolarHBondContact O-N 3.25Å; L260-K263 WeakPolarHBondContact O-CG 3.44Å; L260-K263 PolarHBondContact O-N 3.5Å |
| 264 | V | 91.6 | Very high | 71.6 | Confident | 59 Ų | 59 | 86.5 Ų | 86.5 | 36% | 0.358 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.4 | 170.1 | -169.9 | 0 | 0 | 0 | 0 | 107.6 | G194 R196 Y266 | G194-V264 PolarHBondContact N-O 2.98Å; G194-V264 PolarHBondContact O-N 2.96Å; R196-V264 HydrophobicContact CB-CG2 4.4Å; R196-V264 HydrophobicContact CG-CG2 3.29Å; V264-Y266 PolarHBondContact O-N 3.13Å |
| 265 | A | 83.2 | Confident | 69 | Low | 85 Ų | 85 | 89.4 Ų | 89.4 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | trans | -60.4 | 134.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | R267 | A265-R267 PolarHBondContact O-N 3.23Å; A265-R267 VanDerWaalsContact O-N 3.13Å | ||
| 266 | Y | 71 | Confident | 66.2 | Low | 110 Ų | 110 | 96.8 Ų | 96.8 | 43% | 0.431 | 54% | 0.544 | S | S | . | . | trans | -59.2 | 121.9 | 170.8 | -85.8 | -85.8 | 0 | 0 | 0 | 108.3 | K190 T234 V264 S268 | K190-Y266 PolarHBondContact NZ-OH 2.99Å; T234-Y266 PolarHBondContact O-OH 2.83Å; V264-Y266 PolarHBondContact O-N 3.13Å; Y266-S268 VanDerWaalsContact C-N 3.26Å; Y266-S268 PolarHBondContact O-N 3.33Å | ||
| 267 | R | 54.5 | Low | 63.6 | Low | 197 Ų | 197 | 99.5 Ų | 99.5 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | trans | -69.2 | 94 | 162 | -74 | -176.5 | 172.5 | 166.9 | -3 | 106.4 | A265 G269 | A265-R267 PolarHBondContact O-N 3.23Å; A265-R267 VanDerWaalsContact O-N 3.13Å; R267-G269 PolarHBondContact O-N 2.94Å | ||
| 268 | S | 49.7 | Very low | 60.9 | Low | 109 Ų | 109 | 101.8 Ų | 101.8 | 76% | 0.762 | 59% | 0.586 | S | S | * | * | trans | -45.6 | 131.2 | 158.4 | -62.3 | 0 | 0 | 0 | 0 | 107.3 | Y266 G270 | Y266-S268 VanDerWaalsContact C-N 3.26Å; Y266-S268 PolarHBondContact O-N 3.33Å; S268-G270 PolarHBondContact O-N 3.49Å | ||
| 269 | G | 41.6 | Very low | 58.1 | Low | 79 Ų | 79 | 105.9 Ų | 105.9 | 81% | 0.814 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -38.8 | 133.5 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R267 | R267-G269 PolarHBondContact O-N 2.94Š|
| 270 | G | 31.9 | Very low | 55.5 | Low | 76 Ų | 76 | 111.5 Ų | 111.5 | 78% | 0.784 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 55.7 | 64.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | S268 | S268-G270 PolarHBondContact O-N 3.49Š|
| 271 | T | 30.7 | Very low | 52.9 | Low | 114 Ų | 114 | 115.4 Ų | 115.4 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | trans | -150.5 | 128.2 | 145.2 | -59.8 | 0 | 0 | 0 | 0 | 108.1 | E273 | T271-E273 HydrophobicContact CG2-CG 4.5Å; T271-E273 PolarHBondContact O-N 2.99Å | ||
| 272 | I | 35.2 | Very low | 50.1 | Low | 155 Ų | 155 | 111.3 Ų | 111.3 | 80% | 0.795 | 68% | 0.676 | S | S | * | * | trans | -74.6 | 100.8 | 176.2 | -61.8 | 169.6 | 0 | 0 | 0 | 106.8 | ||||
| 273 | E | 36.9 | Very low | 47.4 | Very low | 163 Ų | 163 | 117 Ų | 117 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | trans | -108.9 | 109.5 | 159.3 | -71.6 | -169 | 166.8 | 0 | 0 | 108.4 | T271 | T271-E273 HydrophobicContact CG2-CG 4.5Å; T271-E273 PolarHBondContact O-N 2.99Å | ||
| 274 | S | 38.6 | Very low | 44.7 | Very low | 86 Ų | 86 | 121.8 Ų | 121.8 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | trans | -73.3 | 130 | 172.2 | 50.5 | 0 | 0 | 0 | 0 | 110 | L276 | S274-L276 PolarHBondContact O-N 3.18Š| ||
| 275 | P | 38.2 | Very low | 42.6 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -82.2 | 77.6 | 165.7 | 32.8 | -28.4 | 0 | 0 | 0 | 108.7 | ||
| 276 | L | 35.3 | Very low | 40.6 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | trans | -136.4 | 68 | 158.4 | -74.6 | 177.2 | 0 | 0 | 0 | 107.1 | S274 | S274-L276 PolarHBondContact O-N 3.18Š| ||
| 277 | A | 39.1 | Very low | 39 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -120.4 | 83.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | S279 | A277-S279 PolarHBondContact O-N 3.23Å; A277-S279 VanDerWaalsContact O-N 3.12Å | ||
| 278 | T | 35.2 | Very low | 38.1 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | -33.7 | 107.6 | 163.2 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | V280 | T278-V280 VanDerWaalsContact C-N 3.32Å; T278-V280 HydrophobicContact CG2-CG2 3.42Å; T278-V280 VanDerWaalsContact CG2-CG2 3.42Å; T278-V280 PolarHBondContact O-N 3.03Å | ||
| 279 | S | 35.4 | Very low | 37.4 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -80.5 | 88.6 | 159.4 | -19.9 | 0 | 0 | 0 | 0 | 106.6 | A277 V281 | A277-S279 PolarHBondContact O-N 3.23Å; A277-S279 VanDerWaalsContact O-N 3.12Å; S279-V281 VanDerWaalsContact C-N 3.34Å; S279-V281 PolarHBondContact O-N 3.19Å | ||
| 280 | V | 41.3 | Very low | 37.2 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -68.1 | 99.1 | 164.7 | -176.4 | 0 | 0 | 0 | 0 | 106.3 | T278 S282 | T278-V280 VanDerWaalsContact C-N 3.32Å; T278-V280 HydrophobicContact CG2-CG2 3.42Å; T278-V280 VanDerWaalsContact CG2-CG2 3.42Å; T278-V280 PolarHBondContact O-N 3.03Å; V280-S282 PolarHBondContact O-N 3.24Å | ||
| 281 | V | 38.2 | Very low | 37.5 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -75.4 | 102.8 | 163.1 | 177.2 | 0 | 0 | 0 | 0 | 106.3 | S279 L283 | S279-V281 VanDerWaalsContact C-N 3.34Å; S279-V281 PolarHBondContact O-N 3.19Å; V281-L283 PolarHBondContact O-N 3.12Å | ||
| 282 | S | 35.6 | Very low | 38 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -65.2 | 109.2 | 168.9 | -178.5 | 0 | 0 | 0 | 0 | 109 | V280 | V280-S282 PolarHBondContact O-N 3.24Š| ||
| 283 | L | 38.2 | Very low | 38.2 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -95.6 | 118.1 | 163.2 | -82.2 | 163.8 | 0 | 0 | 0 | 107.9 | V281 | V281-L283 PolarHBondContact O-N 3.12Š| ||
| 284 | R | 36.5 | Very low | 38.4 | Very low | 229 Ų | 229 | 141 Ų | 141 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -71.3 | 137.8 | 169.6 | -68.7 | 178.4 | 176.3 | -179.8 | -2.2 | 110 | ||||
| 285 | F | 48.6 | Very low | 38.3 | Very low | 281 Ų | 281 | 146 Ų | 146 | 100% | 1.232 | 81% | 0.813 | S | S | * | * | trans | -110.9 | 0 | 136.9 | -78.2 | -79.8 | 0 | 0 | 0 | 107.4 |
Retrieved 285 of 285 residues in 1012.3 ms
(Link to these results)