| 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 | 43 | Very low | 37.4 | Very low | 252 Ų | 252 | 142.3 Ų | 142.3 | 100% | 1.241 | 85% | 0.847 | S | S | * | * | 0 | 113 | 0 | -54.8 | -163.5 | -177.4 | 0 | 0 | 106.1 | |||||
| 2 | G | 37.3 | Very low | 36.9 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 85% | 0.848 | S | S | * | * | cis | 128.2 | 100 | 18 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3 | S | 37.2 | Very low | 36.7 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 92% | 0.916 | 84% | 0.837 | S | S | * | * | trans | 79.1 | 117.8 | 147.6 | -46.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 4 | G | 34.6 | Very low | 36.4 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | 107.9 | 126.5 | 104.2 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 5 | P | 53.3 | Low | 36.2 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -105.6 | 167.1 | 177.3 | 39.6 | -31.6 | 0 | 0 | 0 | 114.2 | ||||
| 6 | S | 34.4 | Very low | 36 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 83% | 0.828 | S | S | * | * | trans | 144.4 | 135.9 | 131.3 | -72.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 7 | K | 37.7 | Very low | 35.9 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | 54.1 | 128.5 | 138.7 | -72.9 | -176.3 | 174 | 179.8 | 0 | 121.3 | ||||
| 8 | E | 32.7 | Very low | 35.6 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | -178.8 | 161.4 | 122.7 | -97.4 | 179.3 | 146.4 | 0 | 0 | 107.7 | |||||
| 9 | H | 36 | Very low | 35.6 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 78% | 0.782 | 83% | 0.827 | S | S | * | * | cis | -156.5 | 155 | -41.1 | -141.4 | 73.3 | 0 | 0 | 0 | 104.5 | ||||
| 10 | Q | 34.4 | Very low | 35.5 | Very low | 190 Ų | 190 | 133.8 Ų | 133.8 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -61 | 143.8 | 175.7 | -72.4 | 167.9 | -25.9 | 0 | 0 | 111.8 | ||||
| 11 | G | 30.6 | Very low | 35.8 | Very low | 76 Ų | 76 | 136.3 Ų | 136.3 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | -153 | 89.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 12 | S | 31.9 | Very low | 35.6 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -63.4 | 135 | 167.7 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 13 | S | 33.6 | Very low | 35.5 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | -176.9 | 120.1 | 128.5 | -165.6 | 0 | 0 | 0 | 0 | 110.7 | H15 | S13-H15 PolarHBondContact O-N 2.96Š| |||
| 14 | T | 32.3 | Very low | 35.4 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -14.9 | 114.8 | 160.4 | 52.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 15 | H | 33.6 | Very low | 35.6 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -110.9 | 88.7 | 146.5 | -118.4 | -89.3 | 0 | 0 | 0 | 107.3 | S13 A17 | S13-H15 PolarHBondContact O-N 2.96Å; H15-A17 PolarHBondContact O-N 3.49Å | ||
| 16 | A | 33 | Very low | 34.7 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -70.6 | 84.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | L18 | A16-L18 PolarHBondContact O-N 2.93Š| ||
| 17 | A | 33.9 | Very low | 34.8 | Very low | 81 Ų | 81 | 143.6 Ų | 143.6 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | -74.9 | 95.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | H15 L19 | H15-A17 PolarHBondContact O-N 3.49Å; A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 3.3Å | ||
| 18 | L | 32.1 | Very low | 34.8 | Very low | 171 Ų | 171 | 141 Ų | 141 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -64.3 | 93.4 | 165.3 | -102.9 | 144.3 | 0 | 0 | 0 | 108 | A16 G20 | A16-L18 PolarHBondContact O-N 2.93Å; L18-G20 PolarHBondContact O-N 2.99Å | ||
| 19 | L | 34.5 | Very low | 35.1 | Very low | 172 Ų | 172 | 139 Ų | 139 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -70.3 | 100.8 | 156.3 | -74.3 | 165.3 | 0 | 0 | 0 | 106.9 | A17 | A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 3.3Å | ||
| 20 | G | 34.8 | Very low | 35.2 | Very low | 62 Ų | 62 | 137.9 Ų | 137.9 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | -124.3 | 93.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | L18 | L18-G20 PolarHBondContact O-N 2.99Š| ||
| 21 | Q | 40.4 | Very low | 35.5 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | 170.9 | 85.6 | 152.7 | -97 | 168.9 | -1 | 0 | 0 | 109.7 | ||||
| 22 | E | 38.5 | Very low | 36.1 | Very low | 194 Ų | 194 | 136.7 Ų | 136.7 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | -136 | 84.4 | 132.4 | -93.1 | -175.4 | 114.9 | 0 | 0 | 104 | L24 | E22-L24 PolarHBondContact O-N 3.07Š| ||
| 23 | E | 35.9 | Very low | 37.3 | Very low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -63.2 | 105.1 | 169.1 | -164.7 | -166 | 134.8 | 0 | 0 | 106.2 | A25 | E23-A25 PolarHBondContact O-N 2.83Š| ||
| 24 | L | 34.3 | Very low | 39.5 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -48.3 | 112.5 | 173 | -75.2 | 157.6 | 0 | 0 | 0 | 108 | E22 E26 | E22-L24 PolarHBondContact O-N 3.07Å; L24-E26 PolarHBondContact O-N 3.43Å | ||
| 25 | A | 38.9 | Very low | 42.3 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | -46.9 | 111.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | E23 | E23-A25 PolarHBondContact O-N 2.83Š| ||
| 26 | E | 34.9 | Very low | 45.1 | Very low | 169 Ų | 169 | 131 Ų | 131 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -52.2 | 129.4 | 171.3 | -70.7 | -165.2 | 152.1 | 0 | 0 | 107.2 | L24 V28 | L24-E26 PolarHBondContact O-N 3.43Å; E26-V28 PolarHBondContact O-N 3.49Å | ||
| 27 | P | 37.2 | Very low | 48.1 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | trans | -60.9 | 118.2 | 177.6 | 25.3 | -30.9 | 0 | 0 | 0 | 106.6 | I29 | P27-I29 PolarHBondContact O-N 3.01Š| ||
| 28 | V | 36.4 | Very low | 51 | Low | 137 Ų | 137 | 123.2 Ų | 123.2 | 83% | 0.83 | 66% | 0.655 | S | S | * | * | trans | -53 | 98.1 | 158.6 | 179.6 | 0 | 0 | 0 | 0 | 104.9 | E26 L30 | E26-V28 PolarHBondContact O-N 3.49Å; V28-L30 PolarHBondContact O-N 3.1Å | ||
| 29 | I | 38.9 | Very low | 54.1 | Low | 143 Ų | 143 | 115.1 Ų | 115.1 | 73% | 0.733 | 61% | 0.612 | S | S | * | * | trans | -66.7 | 90.5 | 169.8 | -58.1 | 178.5 | 0 | 0 | 0 | 103.7 | P27 E31 | P27-I29 PolarHBondContact O-N 3.01Å; I29-E31 PolarHBondContact O-N 2.89Å; I29-E31 VanDerWaalsContact O-N 3.17Å | ||
| 30 | L | 39.8 | Very low | 57 | Low | 146 Ų | 146 | 107.1 Ų | 107.1 | 76% | 0.764 | 57% | 0.571 | S | S | * | * | trans | -31.8 | 121.9 | 158.1 | -179.7 | 72.5 | 0 | 0 | 0 | 106.3 | V28 S32 | V28-L30 PolarHBondContact O-N 3.1Å; L30-S32 WeakPolarHBondContact O-CA 3.39Å; L30-S32 PolarHBondContact O-N 3.03Å | ||
| 31 | E | 40.2 | Very low | 59.8 | Low | 153 Ų | 153 | 108.4 Ų | 108.4 | 72% | 0.715 | 56% | 0.557 | S | S | * | * | trans | -46.2 | 98 | 176 | -80.3 | -151.2 | 128.7 | 0 | 0 | 108.1 | I29 S33 R34 | I29-E31 PolarHBondContact O-N 2.89Å; I29-E31 VanDerWaalsContact O-N 3.17Å; E31-S33 PolarHBondContact O-N 2.87Å; E31-R34 IonicContact OE1-NH2 3.58Å | ||
| 32 | S | 43.2 | Very low | 62.3 | Low | 89 Ų | 89 | 102 Ų | 102 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | trans | -60.7 | 113.1 | -177.6 | 180 | 0 | 0 | 0 | 0 | 103.5 | L30 R34 | L30-S32 WeakPolarHBondContact O-CA 3.39Å; L30-S32 PolarHBondContact O-N 3.03Å; S32-R34 PolarHBondContact O-N 3.33Å | ||
| 33 | S | 57.5 | Low | 64.9 | Low | 65 Ų | 65 | 95.4 Ų | 95.4 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | trans | -40.4 | 106.2 | -173 | -77.9 | 0 | 0 | 0 | 0 | 108.4 | E31 Y35 | E31-S33 PolarHBondContact O-N 2.87Å; S33-Y35 VanDerWaalsContact C-N 3.27Å; S33-Y35 PolarHBondContact O-N 2.8Å | ||
| 34 | R | 78.6 | Confident | 67.4 | Low | 212 Ų | 212 | 89.4 Ų | 89.4 | 80% | 0.8 | 47% | 0.473 | S | S | * | . | trans | -66.5 | 93.3 | -172.3 | -64.7 | -168 | -157.8 | -173.2 | 7.5 | 107.3 | E31 S32 | E31-R34 IonicContact OE1-NH2 3.58Å; S32-R34 PolarHBondContact O-N 3.33Å | ||
| 35 | Y | 90.8 | Very high | 69.8 | Low | 98 Ų | 98 | 87 Ų | 87 | 38% | 0.384 | 47% | 0.465 | S | S | . | . | trans | -81.7 | 152.8 | 173.7 | 64.6 | -91 | 0 | 0 | 0 | 109.2 | S33 V37 R89 V90 Y91 | S33-Y35 VanDerWaalsContact C-N 3.27Å; S33-Y35 PolarHBondContact O-N 2.8Å; Y35-V37 HydrophobicContact CD2-CG2 3.86Å; Y35-V37 HydrophobicContact CE2-CG2 3.57Å; Y35-R89 HydrophobicContact CD2-CB 3.91Å; Y35-R89 HydrophobicContact CD2-CG 3.73Å; Y35-R89 HydrophobicContact CE2-CG 3.87Å; Y35-R89 HydrophobicContact CG-CB 4.28Å; Y35-R89 HydrophobicContact CG-CG 4.4Å; Y35-V90 VanDerWaalsContact CA-O 3.3Å; Y35-V90 WeakPolarHBondContact CA-O 3.46Å; Y35-Y91 HydrophobicContact CD1-CE1 4.01Å; Y35-Y91 HydrophobicContact CG-CE1 4.17Å | ||
| 36 | V | 93.8 | Very high | 71.7 | Confident | 37 Ų | 37 | 85 Ų | 85 | 22% | 0.224 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 147.6 | 165.8 | -61.2 | 0 | 0 | 0 | 0 | 108.9 | V38 R89 V90 I193 | V36-V38 HydrophobicContact CG2-CG2 4.35Å; V36-R89 CarbonylContact O-C 3.5Å; V36-R89 WeakPolarHBondContact O-CA 3.45Å; V36-V90 HydrophobicContact CG2-CB 3.74Å; V36-V90 HydrophobicContact CG2-CG2 4.34Å; V36-V90 PolarHBondContact N-O 3.11Å; V36-V90 PolarHBondContact O-N 3.41Å; V36-I193 HydrophobicContact CG2-CD1 3.98Å |
| 37 | V | 95.4 | Very high | 73.5 | Confident | 9 Ų | 9 | 83 Ų | 83 | 6% | 0.055 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.4 | 174.7 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | Y35 R58 I59 V61 T87 A88 | Y35-V37 HydrophobicContact CD2-CG2 3.86Å; Y35-V37 HydrophobicContact CE2-CG2 3.57Å; V37-R58 WeakPolarHBondContact O-CA 3.5Å; V37-I59 HydrophobicContact CB-CG1 3.87Å; V37-I59 HydrophobicContact CG1-CD1 3.69Å; V37-I59 HydrophobicContact CG1-CG1 3.57Å; V37-I59 PolarHBondContact O-N 3.15Å; V37-V61 HydrophobicContact CB-CG2 4.13Å; V37-V61 HydrophobicContact CG1-CG2 4.16Å; V37-V61 HydrophobicContact CG2-CG2 3.82Å; V37-T87 HydrophobicContact CG1-CG2 4.24Å; V37-A88 WeakPolarHBondContact CA-O 3.35Å |
| 38 | V | 95.9 | Very high | 75.2 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.4 | -179.2 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | V36 L40 E57 T87 A88 V90 I193 | V36-V38 HydrophobicContact CG2-CG2 4.35Å; V38-L40 PolarHBondContact O-N 2.79Å; V38-E57 CarbonylContact C-O 3.45Å; V38-E57 WeakPolarHBondContact CA-O 3.38Å; V38-T87 CarbonylContact O-C 3.52Å; V38-T87 WeakPolarHBondContact O-CA 3.12Å; V38-A88 PolarHBondContact N-O 2.83Å; V38-A88 PolarHBondContact O-N 2.87Å; V38-V90 HydrophobicContact CB-CG2 4.23Å; V38-V90 HydrophobicContact CG2-CG2 3.59Å; V38-I193 HydrophobicContact CG2-CB 4.47Å; V38-I193 HydrophobicContact CG2-CD1 3.69Å; V38-I193 HydrophobicContact CG2-CG1 3.92Å; V38-I193 HydrophobicContact CG2-CG2 3.7Å |
| 39 | A | 95.8 | Very high | 77.2 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.008 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 124.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I53 G56 E57 I59 | A39-I53 HydrophobicContact CB-CG2 3.36Å; A39-G56 PolarHBondContact O-N 3.46Å; A39-E57 PolarHBondContact N-O 3.41Å; A39-I59 HydrophobicContact CB-CG2 4.01Å |
| 40 | L | 95.6 | Very high | 79.1 | Confident | 5 Ų | 5 | 76.3 Ų | 76.3 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | trans | -78.8 | -45.7 | 174.8 | -61.3 | -177 | 0 | 0 | 0 | 109.8 | V38 A55 Y86 A88 L99 K103 L107 | V38-L40 PolarHBondContact O-N 2.79Å; L40-A55 WeakPolarHBondContact O-CB 3.18Å; L40-Y86 WeakPolarHBondContact CB-O 3.46Å; L40-Y86 PolarHBondContact N-O 3Å; L40-A88 HydrophobicContact CD1-CB 4.2Å; L40-A88 HydrophobicContact CD2-CB 3.67Å; L40-A88 HydrophobicContact CG-CB 4.1Å; L40-L99 HydrophobicContact CD2-CD1 3.49Å; L40-L99 VanDerWaalsContact CD2-CD1 3.49Å; L40-K103 VanDerWaalsContact C-CE 3.45Å; L40-K103 HydrophobicContact CB-CD 4.42Å; L40-K103 HydrophobicContact CB-CG 4.2Å; L40-K103 HydrophobicContact CD2-CG 4.16Å; L40-K103 WeakPolarHBondContact O-CE 3.31Å; L40-K103 PolarHBondContact O-NZ 2.7Å; L40-L107 HydrophobicContact CD2-CD1 4.11Å | ||
| 41 | Y | 94 | Very high | 81.3 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 35% | 0.345 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -111.9 | 157.8 | -173.9 | -52.3 | -88.4 | 0 | 0 | 0 | 111.9 | Y86 K103 | Y41-Y86 AromaticContact CD2-CD1 3.81Å; Y41-Y86 HydrophobicContact CD2-CD1 3.81Å; Y41-Y86 AromaticContact CD2-CD2 3.83Å; Y41-Y86 HydrophobicContact CD2-CD2 3.83Å; Y41-Y86 HydrophobicContact CD2-CE1 4.16Å; Y41-Y86 HydrophobicContact CD2-CE2 4.19Å; Y41-Y86 AromaticContact CD2-CG 3.61Å; Y41-Y86 HydrophobicContact CD2-CG 3.61Å; Y41-Y86 HydrophobicContact CE2-CD2 4.19Å; Y41-Y86 HydrophobicContact CE2-CG 4.37Å; Y41-Y86 HydrophobicContact CG-CD1 4.11Å; Y41-Y86 HydrophobicContact CG-CE1 4.18Å; Y41-Y86 HydrophobicContact CG-CG 4.38Å; Y41-K103 HydrophobicContact CD1-CD 4.41Å; Y41-K103 HydrophobicContact CE1-CD 3.88Å |
| 42 | N | 93.5 | Very high | 83.5 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | trans | -67.7 | 136.6 | 165.8 | -65.6 | -21.3 | 0 | 0 | 0 | 108.9 | I53 R54 A55 | N42-I53 CarbonylContact C-O 3.52Å; N42-I53 VanDerWaalsContact CA-O 3.32Å; N42-I53 WeakPolarHBondContact CA-O 3.44Å; N42-R54 WeakPolarHBondContact OD1-CA 3.41Å; N42-A55 PolarHBondContact OD1-N 3.04Å | ||
| 43 | Y | 91.5 | Very high | 85.8 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 22% | 0.22 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -136.6 | 137.5 | 177.9 | -169.1 | -91.9 | 0 | 0 | 0 | 111.7 | S51 S52 I53 Y81 I82 Y86 | Y43-S51 CarbonylContact O-C 3.59Å; Y43-S51 WeakPolarHBondContact O-CA 3.34Å; Y43-S51 WeakPolarHBondContact O-CB 3.25Å; Y43-S52 PolarHBondContact O-N 2.63Å; Y43-S52 PolarHBondContact O-OG 2.95Å; Y43-I53 PolarHBondContact N-O 3.41Å; Y43-I53 PolarHBondContact O-N 3.45Å; Y43-Y81 WeakPolarHBondContact CE1-O 3.23Å; Y43-Y81 PolarHBondContact OH-O 3.13Å; Y43-I82 HydrophobicContact CD1-CG2 3.44Å; Y43-I82 VanDerWaalsContact CD1-CG2 3.44Å; Y43-I82 HydrophobicContact CD2-CG2 4.08Å; Y43-I82 HydrophobicContact CE1-CG2 3.81Å; Y43-I82 HydrophobicContact CE2-CG2 4.41Å; Y43-I82 HydrophobicContact CG-CG2 3.56Å; Y43-Y86 HydrophobicContact CD2-CD1 4.3Å; Y43-Y86 HydrophobicContact CD2-CE1 4.23Å |
| 44 | P | 90 | Very high | 87.5 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 38% | 0.377 | 33% | 0.325 | S | S | . | . | S | Bend | cis | -59.8 | 151.5 | -9.5 | 26 | -35.1 | 0 | 0 | 0 | 112.3 | G46 S51 | P44-G46 PolarHBondContact O-N 3.37Å; P44-S51 PolarHBondContact O-OG 2.93Å |
| 45 | T | 83.2 | Confident | 88.2 | Confident | 105 Ų | 105 | 52.9 Ų | 52.9 | 64% | 0.644 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -63.5 | 122.8 | -179.9 | -50 | 0 | 0 | 0 | 0 | 109.2 | ||
| 46 | G | 78.9 | Confident | 88.4 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 54% | 0.536 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 162.7 | -143.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P44 | P44-G46 PolarHBondContact O-N 3.37Š|
| 47 | H | 73.8 | Confident | 88.4 | Confident | 126 Ų | 126 | 46.8 Ų | 46.8 | 58% | 0.583 | 27% | 0.268 | S | S | * | . | trans | -73.5 | 124.5 | -179.3 | -168 | -81.6 | 0 | 0 | 0 | 110.5 | A49 N50 | H47-A49 VanDerWaalsContact ND1-CB 3.29Å; H47-A49 WeakPolarHBondContact ND1-CB 3.13Å; H47-A49 PolarHBondContact ND1-N 3.42Å; H47-A49 PolarHBondContact O-N 3.03Å; H47-N50 PolarHBondContact O-N 2.97Å; H47-N50 PolarHBondContact O-OD1 3.27Å | ||
| 48 | P | 72.8 | Confident | 88.4 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -22.2 | -172.9 | 22 | -33.7 | 0 | 0 | 0 | 114.7 | N50 | P48-N50 VanDerWaalsContact C-N 3.32Š|
| 49 | A | 77.5 | Confident | 88.4 | Confident | 78 Ų | 78 | 49.7 Ų | 49.7 | 65% | 0.645 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | H47 | H47-A49 VanDerWaalsContact ND1-CB 3.29Å; H47-A49 WeakPolarHBondContact ND1-CB 3.13Å; H47-A49 PolarHBondContact ND1-N 3.42Å; H47-A49 PolarHBondContact O-N 3.03Å |
| 50 | N | 80.6 | Confident | 88.3 | Confident | 102 Ų | 102 | 52.5 Ų | 52.5 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -4.8 | 179.8 | 77.1 | 6.9 | 0 | 0 | 0 | 113.5 | H47 P48 | H47-N50 PolarHBondContact O-N 2.97Å; H47-N50 PolarHBondContact O-OD1 3.27Å; P48-N50 VanDerWaalsContact C-N 3.32Å |
| 51 | S | 84.1 | Confident | 88.2 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 8% | 0.077 | 31% | 0.307 | C | S | . | . | trans | -75.2 | 126.8 | -177.3 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | Y43 P44 I53 | Y43-S51 CarbonylContact O-C 3.59Å; Y43-S51 WeakPolarHBondContact O-CA 3.34Å; Y43-S51 WeakPolarHBondContact O-CB 3.25Å; P44-S51 PolarHBondContact O-OG 2.93Å; S51-I53 VanDerWaalsContact C-N 3.3Å; S51-I53 WeakPolarHBondContact CB-O 3.46Å | ||
| 52 | S | 87 | Confident | 88.2 | Confident | 24 Ų | 24 | 54.3 Ų | 54.3 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -71.7 | -28 | 175.1 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | Y43 T76 S80 | Y43-S52 PolarHBondContact O-N 2.63Å; Y43-S52 PolarHBondContact O-OG 2.95Å; S52-T76 PolarHBondContact O-OG1 3.12Å; S52-S80 PolarHBondContact OG-OG 2.86Å |
| 53 | I | 92 | Very high | 88.2 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -123.2 | 131.9 | 177.3 | -63.2 | 167 | 0 | 0 | 0 | 108.3 | A39 N42 Y43 S51 I59 V71 I82 | A39-I53 HydrophobicContact CB-CG2 3.36Å; N42-I53 CarbonylContact C-O 3.52Å; N42-I53 VanDerWaalsContact CA-O 3.32Å; N42-I53 WeakPolarHBondContact CA-O 3.44Å; Y43-I53 PolarHBondContact N-O 3.41Å; Y43-I53 PolarHBondContact O-N 3.45Å; S51-I53 VanDerWaalsContact C-N 3.3Å; S51-I53 WeakPolarHBondContact CB-O 3.46Å; I53-I59 HydrophobicContact CG2-CG2 3.98Å; I53-V71 HydrophobicContact CD1-CG2 3.55Å; I53-I82 HydrophobicContact CD1-CD1 4.48Å; I53-I82 HydrophobicContact CD1-CG2 3.73Å |
| 54 | R | 92.9 | Very high | 88.2 | Confident | 119 Ų | 119 | 55.7 Ų | 55.7 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | trans | -104.4 | 147.3 | 178 | -64.9 | -178.2 | 178.6 | -179.3 | 1.4 | 111.9 | N42 G56 E57 | N42-R54 WeakPolarHBondContact OD1-CA 3.41Å; R54-G56 PolarHBondContact O-N 2.81Å; R54-E57 PolarHBondContact N-OE2 2.91Å; R54-E57 WeakPolarHBondContact O-CB 3.17Å; R54-E57 PolarHBondContact O-N 3.2Å; R54-E57 VanDerWaalsContact O-N 3.15Å | ||
| 55 | A | 94.2 | Very high | 88.1 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 132.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L40 N42 E57 L107 | L40-A55 WeakPolarHBondContact O-CB 3.18Å; N42-A55 PolarHBondContact OD1-N 3.04Å; A55-E57 VanDerWaalsContact C-N 3.35Å; A55-L107 HydrophobicContact CB-CD2 4.44Å |
| 56 | G | 94.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 6.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A39 R54 I193 Q194 | A39-G56 PolarHBondContact O-N 3.46Å; R54-G56 PolarHBondContact O-N 2.81Å; G56-I193 WeakPolarHBondContact O-CA 3.47Å; G56-Q194 PolarHBondContact O-N 2.75Å |
| 57 | E | 94.3 | Very high | 89 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -92.6 | 142.9 | 177.2 | -161.8 | -165.5 | 142.6 | 0 | 0 | 112.5 | V38 A39 R54 A55 S73 S74 A75 Q194 | V38-E57 CarbonylContact C-O 3.45Å; V38-E57 WeakPolarHBondContact CA-O 3.38Å; A39-E57 PolarHBondContact N-O 3.41Å; R54-E57 PolarHBondContact N-OE2 2.91Å; R54-E57 WeakPolarHBondContact O-CB 3.17Å; R54-E57 PolarHBondContact O-N 3.2Å; R54-E57 VanDerWaalsContact O-N 3.15Å; A55-E57 VanDerWaalsContact C-N 3.35Å; E57-S73 WeakPolarHBondContact OE1-CA 3.33Å; E57-S73 VanDerWaalsContact OE1-CB 3.31Å; E57-S73 WeakPolarHBondContact OE1-CB 3.33Å; E57-S73 PolarHBondContact OE1-OG 3.24Å; E57-S74 PolarHBondContact OE1-N 2.92Å; E57-S74 VanDerWaalsContact OE1-N 3.12Å; E57-A75 VanDerWaalsContact CD-CB 3.41Å; E57-A75 HydrophobicContact CG-CB 3.91Å; E57-A75 WeakPolarHBondContact OE1-CB 3.49Å; E57-A75 PolarHBondContact OE1-N 3.49Å; E57-Q194 HydrophobicContact CB-CB 4.33Å; E57-Q194 HydrophobicContact CG-CB 4.15Å; E57-Q194 HydrophobicContact CG-CG 4.24Å |
| 58 | R | 94.8 | Very high | 90 | Very high | 68 Ų | 68 | 63.5 Ų | 63.5 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 131.4 | 168.6 | -176.3 | -177.7 | 176.4 | 168.7 | 2.7 | 110.4 | V37 S74 I193 Q194 | V37-R58 WeakPolarHBondContact O-CA 3.5Å; R58-S74 WeakPolarHBondContact O-CB 3.19Å; R58-S74 PolarHBondContact O-N 3.3Å; R58-S74 PolarHBondContact O-OG 2.79Å; R58-I193 HydrophobicContact CB-CG2 3.83Å; R58-Q194 WeakPolarHBondContact CB-O 3.49Å; R58-Q194 PolarHBondContact N-O 3.16Å |
| 59 | I | 94.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.6 | 173.2 | 60 | 178.5 | 0 | 0 | 0 | 110 | V37 A39 I53 V71 I82 T87 | V37-I59 HydrophobicContact CB-CG1 3.87Å; V37-I59 HydrophobicContact CG1-CD1 3.69Å; V37-I59 HydrophobicContact CG1-CG1 3.57Å; V37-I59 PolarHBondContact O-N 3.15Å; A39-I59 HydrophobicContact CB-CG2 4.01Å; I53-I59 HydrophobicContact CG2-CG2 3.98Å; I59-V71 HydrophobicContact CB-CB 4.38Å; I59-V71 HydrophobicContact CD1-CB 4.42Å; I59-V71 HydrophobicContact CD1-CG1 4.19Å; I59-V71 HydrophobicContact CD1-CG2 4.5Å; I59-I82 HydrophobicContact CD1-CD1 3.77Å; I59-T87 HydrophobicContact CD1-CG2 3.47Å; I59-T87 VanDerWaalsContact CD1-CG2 3.47Å |
| 60 | N | 94.4 | Very high | 91.9 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.6 | 172.2 | -61.9 | -47.4 | 0 | 0 | 0 | 108 | L62 V71 R72 S74 | N60-L62 PolarHBondContact O-N 3.24Å; N60-V71 CarbonylContact O-C 3.57Å; N60-V71 WeakPolarHBondContact O-CA 3.16Å; N60-R72 HydrophobicContact CB-CB 4.44Å; N60-R72 PolarHBondContact N-O 2.72Å; N60-R72 PolarHBondContact O-N 2.85Å; N60-S74 PolarHBondContact ND2-OG 2.86Å |
| 61 | V | 94.3 | Very high | 92.6 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 122.6 | 178.6 | -175 | 0 | 0 | 0 | 0 | 108.5 | V37 D64 W69 V71 | V37-V61 HydrophobicContact CB-CG2 4.13Å; V37-V61 HydrophobicContact CG1-CG2 4.16Å; V37-V61 HydrophobicContact CG2-CG2 3.82Å; V61-D64 HydrophobicContact CG1-CB 3.89Å; V61-W69 HydrophobicContact CG1-CD2 4.48Å; V61-W69 HydrophobicContact CG1-CE3 4.13Å; V61-W69 HydrophobicContact CG2-CE3 3.99Å; V61-W69 HydrophobicContact CG2-CZ3 4.17Å; V61-V71 HydrophobicContact CG2-CG1 4.37Å |
| 62 | L | 94.3 | Very high | 93.1 | Very high | 78 Ų | 78 | 60.1 Ų | 60.1 | 41% | 0.408 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -32.7 | 177.9 | -57.1 | -179.9 | 0 | 0 | 0 | 111.4 | N60 K70 R72 E79 | N60-L62 PolarHBondContact O-N 3.24Å; L62-K70 WeakPolarHBondContact CA-O 3.22Å; L62-K70 HydrophobicContact CB-CB 4.4Å; L62-K70 HydrophobicContact CB-CD 4.44Å; L62-K70 HydrophobicContact CB-CG 4.43Å; L62-K70 WeakPolarHBondContact CB-O 3.19Å; L62-K70 HydrophobicContact CD1-CD 4.3Å; L62-K70 HydrophobicContact CD1-CG 4.38Å; L62-K70 PolarHBondContact N-O 3.15Å; L62-R72 HydrophobicContact CD1-CB 4.18Å; L62-R72 HydrophobicContact CD2-CB 4.42Å; L62-R72 HydrophobicContact CG-CB 4.32Å; L62-E79 HydrophobicContact CD1-CG 3.93Å |
| 63 | S | 93.1 | Very high | 93.5 | Very high | 36 Ų | 36 | 59 Ų | 59 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 129 | 173.1 | 172.3 | 0 | 0 | 0 | 0 | 108.6 | W69 K70 | S63-W69 CarbonylContact O-C 3.59Å; S63-W69 VanDerWaalsContact O-CA 3.3Å; S63-W69 WeakPolarHBondContact O-CA 3.32Å; S63-W69 WeakPolarHBondContact O-CB 3.4Å; S63-K70 PolarHBondContact N-O 2.87Å; S63-K70 VanDerWaalsContact N-O 3.16Å; S63-K70 PolarHBondContact O-N 3.18Å |
| 64 | D | 90.8 | Very high | 93.4 | Very high | 101 Ų | 101 | 59.8 Ų | 59.8 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | trans | -108.7 | 18.1 | -179.4 | 63.5 | -27.5 | 0 | 0 | 0 | 113 | V61 G66 W69 | V61-D64 HydrophobicContact CG1-CB 3.89Å; D64-G66 PolarHBondContact O-N 3Å; D64-G66 VanDerWaalsContact O-N 3.16Å; D64-W69 VanDerWaalsContact CA-CD1 3.5Å; D64-W69 HydrophobicContact CB-CD2 4.1Å; D64-W69 HydrophobicContact CB-CG 4.41Å; D64-W69 HydrophobicContact CB-CZ2 4.06Å; D64-W69 PolarHBondContact O-NE1 3.43Å | ||
| 65 | E | 88.1 | Confident | 93.2 | Very high | 161 Ų | 161 | 56.4 Ų | 56.4 | 75% | 0.752 | 29% | 0.294 | S | S | * | . | trans | -73.1 | 107.6 | -176.2 | -64.7 | 176.7 | -152.2 | 0 | 0 | 111.5 | ||||
| 66 | G | 88.3 | Confident | 92.8 | Very high | 59 Ų | 59 | 58.8 Ų | 58.8 | 61% | 0.608 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -153.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D64 W69 | D64-G66 PolarHBondContact O-N 3Å; D64-G66 VanDerWaalsContact O-N 3.16Å; G66-W69 PolarHBondContact O-NE1 3.25Å; G66-W69 VanDerWaalsContact O-NE1 3.13Å |
| 67 | E | 92.4 | Very high | 92.6 | Very high | 150 Ų | 150 | 60.6 Ų | 60.6 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -19.5 | -176.1 | -64.3 | -172.7 | 142.5 | 0 | 0 | 113.4 | P83 S84 | E67-P83 CarbonylContact O-C 3.56Å; E67-P83 WeakPolarHBondContact O-CA 3.48Å; E67-S84 PolarHBondContact O-N 3.41Å |
| 68 | W | 94.3 | Very high | 92.3 | Very high | 135 Ų | 135 | 64.6 Ų | 64.6 | 51% | 0.511 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 113.5 | -175.6 | -71.7 | 85.3 | 0 | 0 | 0 | 110.2 | I82 P83 | W68-I82 CarbonylContact C-O 3.58Å; W68-I82 WeakPolarHBondContact CA-O 3.25Å; W68-P83 HydrophobicContact CE3-CG 4.18Å; W68-P83 HydrophobicContact CH2-CG 3.82Å; W68-P83 HydrophobicContact CZ2-CG 4.2Å; W68-P83 HydrophobicContact CZ3-CG 3.8Å |
| 69 | W | 95.8 | Very high | 92.3 | Very high | 24 Ų | 24 | 65.2 Ų | 65.2 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 137.8 | -177.2 | -67.1 | 0.7 | 0 | 0 | 0 | 110.7 | V61 S63 D64 G66 V71 Y81 I82 T87 | V61-W69 HydrophobicContact CG1-CD2 4.48Å; V61-W69 HydrophobicContact CG1-CE3 4.13Å; V61-W69 HydrophobicContact CG2-CE3 3.99Å; V61-W69 HydrophobicContact CG2-CZ3 4.17Å; S63-W69 CarbonylContact O-C 3.59Å; S63-W69 VanDerWaalsContact O-CA 3.3Å; S63-W69 WeakPolarHBondContact O-CA 3.32Å; S63-W69 WeakPolarHBondContact O-CB 3.4Å; D64-W69 VanDerWaalsContact CA-CD1 3.5Å; D64-W69 HydrophobicContact CB-CD2 4.1Å; D64-W69 HydrophobicContact CB-CG 4.41Å; D64-W69 HydrophobicContact CB-CZ2 4.06Å; D64-W69 PolarHBondContact O-NE1 3.43Å; G66-W69 PolarHBondContact O-NE1 3.25Å; G66-W69 VanDerWaalsContact O-NE1 3.13Å; W69-V71 HydrophobicContact CB-CG1 3.96Å; W69-Y81 WeakPolarHBondContact O-CA 3.28Å; W69-I82 PolarHBondContact N-O 3.01Å; W69-I82 PolarHBondContact O-N 3.48Å; W69-T87 HydrophobicContact CE3-CG2 4.38Å |
| 70 | K | 95.3 | Very high | 92.2 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 26% | 0.261 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119.2 | 166.6 | -164 | -173.5 | -174.7 | -165.3 | 0 | 108 | L62 S63 E79 Y81 | L62-K70 WeakPolarHBondContact CA-O 3.22Å; L62-K70 HydrophobicContact CB-CB 4.4Å; L62-K70 HydrophobicContact CB-CD 4.44Å; L62-K70 HydrophobicContact CB-CG 4.43Å; L62-K70 WeakPolarHBondContact CB-O 3.19Å; L62-K70 HydrophobicContact CD1-CD 4.3Å; L62-K70 HydrophobicContact CD1-CG 4.38Å; L62-K70 PolarHBondContact N-O 3.15Å; S63-K70 PolarHBondContact N-O 2.87Å; S63-K70 VanDerWaalsContact N-O 3.16Å; S63-K70 PolarHBondContact O-N 3.18Å; K70-E79 WeakPolarHBondContact CE-OE2 3.29Å; K70-E79 IonicContact NZ-OE2 2.78Å; K70-E79 PolarHBondContact NZ-OE2 3.32Å; K70-Y81 HydrophobicContact CB-CD1 4.03Å; K70-Y81 HydrophobicContact CB-CE1 3.63Å; K70-Y81 HydrophobicContact CD-CE1 4.33Å; K70-Y81 HydrophobicContact CD-CE2 4.24Å; K70-Y81 WeakPolarHBondContact CD-OH 3.4Å; K70-Y81 HydrophobicContact CG-CD1 4.34Å; K70-Y81 HydrophobicContact CG-CD2 4.46Å; K70-Y81 HydrophobicContact CG-CE1 3.87Å; K70-Y81 HydrophobicContact CG-CE2 3.98Å |
| 71 | V | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157.8 | -176.5 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | I53 I59 N60 V61 W69 E79 S80 I82 | I53-V71 HydrophobicContact CD1-CG2 3.55Å; I59-V71 HydrophobicContact CB-CB 4.38Å; I59-V71 HydrophobicContact CD1-CB 4.42Å; I59-V71 HydrophobicContact CD1-CG1 4.19Å; I59-V71 HydrophobicContact CD1-CG2 4.5Å; N60-V71 CarbonylContact O-C 3.57Å; N60-V71 WeakPolarHBondContact O-CA 3.16Å; V61-V71 HydrophobicContact CG2-CG1 4.37Å; W69-V71 HydrophobicContact CB-CG1 3.96Å; V71-E79 CarbonylContact O-C 3.53Å; V71-E79 VanDerWaalsContact O-CA 3.28Å; V71-E79 WeakPolarHBondContact O-CA 3.21Å; V71-S80 PolarHBondContact N-O 3.44Å; V71-S80 PolarHBondContact O-N 2.86Å; V71-I82 HydrophobicContact CG1-CD1 4.13Å; V71-I82 HydrophobicContact CG1-CG1 4.03Å; V71-I82 HydrophobicContact CG2-CD1 3.74Å; V71-I82 HydrophobicContact CG2-CG1 3.82Å; V71-I82 HydrophobicContact CG2-CG2 4.31Å |
| 72 | R | 94.9 | Very high | 92.2 | Very high | 105 Ų | 105 | 67.3 Ų | 67.3 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.8 | 172.3 | -173.6 | -179.6 | -71.1 | 172.2 | -4.2 | 110.2 | N60 L62 S74 G77 N78 E79 | N60-R72 HydrophobicContact CB-CB 4.44Å; N60-R72 PolarHBondContact N-O 2.72Å; N60-R72 PolarHBondContact O-N 2.85Å; L62-R72 HydrophobicContact CD1-CB 4.18Å; L62-R72 HydrophobicContact CD2-CB 4.42Å; L62-R72 HydrophobicContact CG-CB 4.32Å; R72-S74 PolarHBondContact O-N 3.49Å; R72-G77 WeakPolarHBondContact CG-O 3.39Å; R72-N78 WeakPolarHBondContact CA-O 3.29Å; R72-E79 HydrophobicContact CB-CG 4.31Å; R72-E79 HydrophobicContact CG-CG 4.3Å; R72-E79 IonicContact CZ-OE1 3.42Å; R72-E79 IonicContact NE-OE1 3.36Å; R72-E79 PolarHBondContact NE-OE1 2.75Å; R72-E79 IonicContact NH2-OE1 2.66Å; R72-E79 PolarHBondContact NH2-OE1 3.13Å |
| 73 | S | 93.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 128.9 | 172.9 | 155.4 | 0 | 0 | 0 | 0 | 110.2 | E57 A75 T76 G77 N78 | E57-S73 WeakPolarHBondContact OE1-CA 3.33Å; E57-S73 VanDerWaalsContact OE1-CB 3.31Å; E57-S73 WeakPolarHBondContact OE1-CB 3.33Å; E57-S73 PolarHBondContact OE1-OG 3.24Å; S73-A75 VanDerWaalsContact C-N 3.33Å; S73-A75 PolarHBondContact OG-N 2.83Å; S73-T76 WeakPolarHBondContact CB-OG1 3.45Å; S73-T76 WeakPolarHBondContact OG-CB 3.44Å; S73-T76 PolarHBondContact OG-N 2.99Å; S73-T76 PolarHBondContact OG-OG1 3.14Å; S73-G77 WeakPolarHBondContact O-CA 3.33Å; S73-G77 PolarHBondContact O-N 3.32Å; S73-N78 PolarHBondContact N-O 2.88Å |
| 74 | S | 90.9 | Very high | 92.3 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -18.5 | 178.3 | -53.1 | 0 | 0 | 0 | 0 | 112.7 | E57 R58 N60 R72 S198 | E57-S74 PolarHBondContact OE1-N 2.92Å; E57-S74 VanDerWaalsContact OE1-N 3.12Å; R58-S74 WeakPolarHBondContact O-CB 3.19Å; R58-S74 PolarHBondContact O-N 3.3Å; R58-S74 PolarHBondContact O-OG 2.79Å; N60-S74 PolarHBondContact ND2-OG 2.86Å; R72-S74 PolarHBondContact O-N 3.49Å; S74-S198 PolarHBondContact O-OG 2.87Å |
| 75 | A | 87.8 | Confident | 92.4 | Very high | 47 Ų | 47 | 63.8 Ų | 63.8 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E57 S73 Q194 | E57-A75 VanDerWaalsContact CD-CB 3.41Å; E57-A75 HydrophobicContact CG-CB 3.91Å; E57-A75 WeakPolarHBondContact OE1-CB 3.49Å; E57-A75 PolarHBondContact OE1-N 3.49Å; S73-A75 VanDerWaalsContact C-N 3.33Å; S73-A75 PolarHBondContact OG-N 2.83Å; A75-Q194 HydrophobicContact CB-CG 4.29Å |
| 76 | T | 87.3 | Confident | 92.8 | Very high | 70 Ų | 70 | 59.2 Ų | 59.2 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -19.2 | -175.9 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | S52 S73 N78 | S52-T76 PolarHBondContact O-OG1 3.12Å; S73-T76 WeakPolarHBondContact CB-OG1 3.45Å; S73-T76 WeakPolarHBondContact OG-CB 3.44Å; S73-T76 PolarHBondContact OG-N 2.99Å; S73-T76 PolarHBondContact OG-OG1 3.14Å; T76-N78 PolarHBondContact O-N 3.13Å; T76-N78 WeakPolarHBondContact OG1-CB 3.43Å; T76-N78 PolarHBondContact OG1-N 3.46Å; T76-N78 PolarHBondContact OG1-ND2 2.81Å |
| 77 | G | 88.8 | Confident | 93.1 | Very high | 42 Ų | 42 | 57 Ų | 57 | 43% | 0.433 | 30% | 0.295 | S | S | . | . | trans | 75 | -3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R72 S73 | R72-G77 WeakPolarHBondContact CG-O 3.39Å; S73-G77 WeakPolarHBondContact O-CA 3.33Å; S73-G77 PolarHBondContact O-N 3.32Å | ||
| 78 | N | 88.8 | Confident | 93.3 | Very high | 85 Ų | 85 | 50 Ų | 50 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | trans | -72.6 | 141 | -177.7 | -67.9 | -34.9 | 0 | 0 | 0 | 111.7 | R72 S73 T76 | R72-N78 WeakPolarHBondContact CA-O 3.29Å; S73-N78 PolarHBondContact N-O 2.88Å; T76-N78 PolarHBondContact O-N 3.13Å; T76-N78 WeakPolarHBondContact OG1-CB 3.43Å; T76-N78 PolarHBondContact OG1-N 3.46Å; T76-N78 PolarHBondContact OG1-ND2 2.81Å | ||
| 79 | E | 94.4 | Very high | 93.3 | Very high | 81 Ų | 81 | 47.2 Ų | 47.2 | 38% | 0.379 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 141.7 | 172 | -63.4 | -174.7 | -175.6 | 0 | 0 | 110.7 | L62 K70 V71 R72 | L62-E79 HydrophobicContact CD1-CG 3.93Å; K70-E79 WeakPolarHBondContact CE-OE2 3.29Å; K70-E79 IonicContact NZ-OE2 2.78Å; K70-E79 PolarHBondContact NZ-OE2 3.32Å; V71-E79 CarbonylContact O-C 3.53Å; V71-E79 VanDerWaalsContact O-CA 3.28Å; V71-E79 WeakPolarHBondContact O-CA 3.21Å; R72-E79 HydrophobicContact CB-CG 4.31Å; R72-E79 HydrophobicContact CG-CG 4.3Å; R72-E79 IonicContact CZ-OE1 3.42Å; R72-E79 IonicContact NE-OE1 3.36Å; R72-E79 PolarHBondContact NE-OE1 2.75Å; R72-E79 IonicContact NH2-OE1 2.66Å; R72-E79 PolarHBondContact NH2-OE1 3.13Å |
| 80 | S | 93.5 | Very high | 93.2 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 154.6 | 176.1 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | S52 V71 | S52-S80 PolarHBondContact OG-OG 2.86Å; V71-S80 PolarHBondContact N-O 3.44Å; V71-S80 PolarHBondContact O-N 2.86Å |
| 81 | Y | 94.5 | Very high | 93.1 | Very high | 137 Ų | 137 | 46 Ų | 46 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.6 | 170 | -74.6 | -94 | 0 | 0 | 0 | 109.2 | Y43 W69 K70 | Y43-Y81 WeakPolarHBondContact CE1-O 3.23Å; Y43-Y81 PolarHBondContact OH-O 3.13Å; W69-Y81 WeakPolarHBondContact O-CA 3.28Å; K70-Y81 HydrophobicContact CB-CD1 4.03Å; K70-Y81 HydrophobicContact CB-CE1 3.63Å; K70-Y81 HydrophobicContact CD-CE1 4.33Å; K70-Y81 HydrophobicContact CD-CE2 4.24Å; K70-Y81 WeakPolarHBondContact CD-OH 3.4Å; K70-Y81 HydrophobicContact CG-CD1 4.34Å; K70-Y81 HydrophobicContact CG-CD2 4.46Å; K70-Y81 HydrophobicContact CG-CE1 3.87Å; K70-Y81 HydrophobicContact CG-CE2 3.98Å |
| 82 | I | 94.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.3 | -179.6 | 66.2 | 172.4 | 0 | 0 | 0 | 111 | Y43 I53 I59 W68 W69 V71 T87 | Y43-I82 HydrophobicContact CD1-CG2 3.44Å; Y43-I82 VanDerWaalsContact CD1-CG2 3.44Å; Y43-I82 HydrophobicContact CD2-CG2 4.08Å; Y43-I82 HydrophobicContact CE1-CG2 3.81Å; Y43-I82 HydrophobicContact CE2-CG2 4.41Å; Y43-I82 HydrophobicContact CG-CG2 3.56Å; I53-I82 HydrophobicContact CD1-CD1 4.48Å; I53-I82 HydrophobicContact CD1-CG2 3.73Å; I59-I82 HydrophobicContact CD1-CD1 3.77Å; W68-I82 CarbonylContact C-O 3.58Å; W68-I82 WeakPolarHBondContact CA-O 3.25Å; W69-I82 PolarHBondContact N-O 3.01Å; W69-I82 PolarHBondContact O-N 3.48Å; V71-I82 HydrophobicContact CG1-CD1 4.13Å; V71-I82 HydrophobicContact CG1-CG1 4.03Å; V71-I82 HydrophobicContact CG2-CD1 3.74Å; V71-I82 HydrophobicContact CG2-CG1 3.82Å; V71-I82 HydrophobicContact CG2-CG2 4.31Å; I82-T87 HydrophobicContact CD1-CG2 3.53Å; I82-T87 HydrophobicContact CG1-CG2 4.34Å |
| 83 | P | 95.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 140.5 | 170.2 | -20.5 | 33 | 0 | 0 | 0 | 111 | E67 W68 S85 Y86 | E67-P83 CarbonylContact O-C 3.56Å; E67-P83 WeakPolarHBondContact O-CA 3.48Å; W68-P83 HydrophobicContact CE3-CG 4.18Å; W68-P83 HydrophobicContact CH2-CG 3.82Å; W68-P83 HydrophobicContact CZ2-CG 4.2Å; W68-P83 HydrophobicContact CZ3-CG 3.8Å; P83-S85 PolarHBondContact O-N 3.41Å; P83-Y86 HydrophobicContact CB-CD2 3.94Å; P83-Y86 HydrophobicContact CB-CE2 4.43Å; P83-Y86 HydrophobicContact CB-CG 4.42Å; P83-Y86 HydrophobicContact CG-CD2 4Å; P83-Y86 HydrophobicContact CG-CE2 4.15Å; P83-Y86 HydrophobicContact CG-CG 4.35Å; P83-Y86 WeakPolarHBondContact O-CB 3.48Å; P83-Y86 PolarHBondContact O-N 3Å |
| 84 | S | 93.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 55 Ų | 55 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -58.3 | -33 | 176.4 | 63 | 0 | 0 | 0 | 0 | 112.3 | E67 Y86 T87 | E67-S84 PolarHBondContact O-N 3.41Å; S84-Y86 PolarHBondContact O-N 3.3Å; S84-Y86 VanDerWaalsContact O-N 3.12Å; S84-T87 WeakPolarHBondContact O-CB 3.38Å; S84-T87 PolarHBondContact O-N 3.12Å; S84-T87 PolarHBondContact O-OG1 2.95Å |
| 85 | S | 93.8 | Very high | 92.9 | Very high | 81 Ų | 81 | 55.8 Ų | 55.8 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -64.3 | -11.4 | 174.5 | 63.8 | 0 | 0 | 0 | 0 | 114.7 | P83 T87 | P83-S85 PolarHBondContact O-N 3.41Å; S85-T87 PolarHBondContact O-N 2.99Å |
| 86 | Y | 95.2 | Very high | 93.3 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -86.4 | 5.9 | 174.5 | -80.8 | -141.7 | 0 | 0 | 0 | 112.2 | L40 Y41 Y43 P83 S84 | L40-Y86 WeakPolarHBondContact CB-O 3.46Å; L40-Y86 PolarHBondContact N-O 3Å; Y41-Y86 AromaticContact CD2-CD1 3.81Å; Y41-Y86 HydrophobicContact CD2-CD1 3.81Å; Y41-Y86 AromaticContact CD2-CD2 3.83Å; Y41-Y86 HydrophobicContact CD2-CD2 3.83Å; Y41-Y86 HydrophobicContact CD2-CE1 4.16Å; Y41-Y86 HydrophobicContact CD2-CE2 4.19Å; Y41-Y86 AromaticContact CD2-CG 3.61Å; Y41-Y86 HydrophobicContact CD2-CG 3.61Å; Y41-Y86 HydrophobicContact CE2-CD2 4.19Å; Y41-Y86 HydrophobicContact CE2-CG 4.37Å; Y41-Y86 HydrophobicContact CG-CD1 4.11Å; Y41-Y86 HydrophobicContact CG-CE1 4.18Å; Y41-Y86 HydrophobicContact CG-CG 4.38Å; Y43-Y86 HydrophobicContact CD2-CD1 4.3Å; Y43-Y86 HydrophobicContact CD2-CE1 4.23Å; P83-Y86 HydrophobicContact CB-CD2 3.94Å; P83-Y86 HydrophobicContact CB-CE2 4.43Å; P83-Y86 HydrophobicContact CB-CG 4.42Å; P83-Y86 HydrophobicContact CG-CD2 4Å; P83-Y86 HydrophobicContact CG-CE2 4.15Å; P83-Y86 HydrophobicContact CG-CG 4.35Å; P83-Y86 WeakPolarHBondContact O-CB 3.48Å; P83-Y86 PolarHBondContact O-N 3Å; S84-Y86 PolarHBondContact O-N 3.3Å; S84-Y86 VanDerWaalsContact O-N 3.12Å |
| 87 | T | 95.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154.9 | -174.5 | 77.5 | 0 | 0 | 0 | 0 | 110.9 | V37 V38 I59 W69 I82 S84 S85 | V37-T87 HydrophobicContact CG1-CG2 4.24Å; V38-T87 CarbonylContact O-C 3.52Å; V38-T87 WeakPolarHBondContact O-CA 3.12Å; I59-T87 HydrophobicContact CD1-CG2 3.47Å; I59-T87 VanDerWaalsContact CD1-CG2 3.47Å; W69-T87 HydrophobicContact CE3-CG2 4.38Å; I82-T87 HydrophobicContact CD1-CG2 3.53Å; I82-T87 HydrophobicContact CG1-CG2 4.34Å; S84-T87 WeakPolarHBondContact O-CB 3.38Å; S84-T87 PolarHBondContact O-N 3.12Å; S84-T87 PolarHBondContact O-OG1 2.95Å; S85-T87 PolarHBondContact O-N 2.99Å |
| 88 | A | 95.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V37 V38 L40 Y96 E97 | V37-A88 WeakPolarHBondContact CA-O 3.35Å; V38-A88 PolarHBondContact N-O 2.83Å; V38-A88 PolarHBondContact O-N 2.87Å; L40-A88 HydrophobicContact CD1-CB 4.2Å; L40-A88 HydrophobicContact CD2-CB 3.67Å; L40-A88 HydrophobicContact CG-CB 4.1Å; A88-Y96 HydrophobicContact CB-CD1 4.18Å; A88-E97 VanDerWaalsContact CB-O 3.29Å; A88-E97 WeakPolarHBondContact CB-O 3.45Å |
| 89 | R | 94.7 | Very high | 93.9 | Very high | 75 Ų | 75 | 50.1 Ų | 50.1 | 28% | 0.283 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 139 | 169.5 | -59.4 | -170.7 | -167.3 | 92.4 | 2.6 | 109 | Y35 V36 Y91 Y96 E97 | Y35-R89 HydrophobicContact CD2-CB 3.91Å; Y35-R89 HydrophobicContact CD2-CG 3.73Å; Y35-R89 HydrophobicContact CE2-CG 3.87Å; Y35-R89 HydrophobicContact CG-CB 4.28Å; Y35-R89 HydrophobicContact CG-CG 4.4Å; V36-R89 CarbonylContact O-C 3.5Å; V36-R89 WeakPolarHBondContact O-CA 3.45Å; R89-Y91 HydrophobicContact CB-CE2 3.79Å; R89-Y91 WeakPolarHBondContact CD-OH 3.35Å; R89-Y96 CarbonylContact O-C 3.42Å; R89-Y96 WeakPolarHBondContact O-CA 3.18Å; R89-E97 HydrophobicContact CB-CB 4.21Å; R89-E97 WeakPolarHBondContact CD-OE2 3.27Å; R89-E97 IonicContact CZ-OE2 3.72Å; R89-E97 IonicContact NH1-OE1 2.72Å; R89-E97 PolarHBondContact NH1-OE1 3.11Å; R89-E97 IonicContact NH1-OE2 3.35Å; R89-E97 PolarHBondContact NH1-OE2 2.92Å; R89-E97 PolarHBondContact O-N 2.99Å |
| 90 | V | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.4 | 179.1 | -169.1 | 0 | 0 | 0 | 0 | 109.7 | Y35 V36 V38 Q95 Y96 I193 | Y35-V90 VanDerWaalsContact CA-O 3.3Å; Y35-V90 WeakPolarHBondContact CA-O 3.46Å; V36-V90 HydrophobicContact CG2-CB 3.74Å; V36-V90 HydrophobicContact CG2-CG2 4.34Å; V36-V90 PolarHBondContact N-O 3.11Å; V36-V90 PolarHBondContact O-N 3.41Å; V38-V90 HydrophobicContact CB-CG2 4.23Å; V38-V90 HydrophobicContact CG2-CG2 3.59Å; V90-Q95 CarbonylContact C-O 3.5Å; V90-Q95 VanDerWaalsContact CA-O 3.26Å; V90-Q95 WeakPolarHBondContact CA-O 3.41Å; V90-Y96 HydrophobicContact CG1-CD2 3.95Å; V90-Y96 HydrophobicContact CG1-CE1 4.5Å; V90-Y96 HydrophobicContact CG1-CE2 3.73Å; V90-Y96 HydrophobicContact CG1-CG 4.41Å; V90-Y96 HydrophobicContact CG2-CD1 3.45Å; V90-Y96 VanDerWaalsContact CG2-CD1 3.45Å; V90-Y96 HydrophobicContact CG2-CD2 4.2Å; V90-Y96 HydrophobicContact CG2-CE1 3.33Å; V90-Y96 HydrophobicContact CG2-CE2 4.08Å; V90-Y96 HydrophobicContact CG2-CG 3.89Å; V90-I193 HydrophobicContact CB-CD1 4.44Å; V90-I193 HydrophobicContact CG1-CD1 4.26Å; V90-I193 HydrophobicContact CG2-CD1 4.32Å |
| 91 | Y | 92.8 | Very high | 94 | Very high | 58 Ų | 58 | 52.9 Ų | 52.9 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 151.1 | 175.7 | -58.6 | -92.4 | 0 | 0 | 0 | 110 | Y35 R89 R93 C94 Q95 E97 | Y35-Y91 HydrophobicContact CD1-CE1 4.01Å; Y35-Y91 HydrophobicContact CG-CE1 4.17Å; R89-Y91 HydrophobicContact CB-CE2 3.79Å; R89-Y91 WeakPolarHBondContact CD-OH 3.35Å; Y91-R93 PolarHBondContact O-N 3.41Å; Y91-C94 PolarHBondContact O-N 3.15Å; Y91-C94 VanDerWaalsContact O-N 3.14Å; Y91-Q95 PolarHBondContact N-O 3.25Å; Y91-Q95 WeakPolarHBondContact O-CB 3.4Å; Y91-Q95 PolarHBondContact O-N 3.37Å; Y91-E97 HydrophobicContact CE2-CB 4.23Å |
| 92 | H | 90.8 | Very high | 94 | Very high | 111 Ų | 111 | 53.2 Ų | 53.2 | 51% | 0.514 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 37.6 | 175.5 | -53.4 | -72.9 | 0 | 0 | 0 | 113.6 | C94 Q95 | H92-C94 PolarHBondContact O-N 3.23Å; H92-C94 PolarHBondContact O-SG 2.71Å; H92-C94 VanDerWaalsContact O-SG 3.42Å; H92-Q95 PolarHBondContact CD2-NE2 3.22Å |
| 93 | R | 91.2 | Very high | 94.1 | Very high | 175 Ų | 175 | 53.6 Ų | 53.6 | 66% | 0.66 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -13.5 | -178.1 | -58.1 | 177.2 | 62.6 | -157.6 | -5.7 | 117.2 | Y91 E189 P190 | Y91-R93 PolarHBondContact O-N 3.41Å; R93-E189 IonicContact NH2-OE2 2.89Å; R93-P190 HydrophobicContact CB-CG 4.47Å |
| 94 | C | 94.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.054 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | -8.6 | -171.2 | 66.9 | 0 | 0 | 0 | 0 | 115 | Y91 H92 Y96 F118 V120 P190 | Y91-C94 PolarHBondContact O-N 3.15Å; Y91-C94 VanDerWaalsContact O-N 3.14Å; H92-C94 PolarHBondContact O-N 3.23Å; H92-C94 PolarHBondContact O-SG 2.71Å; H92-C94 VanDerWaalsContact O-SG 3.42Å; C94-Y96 WeakPolarHBondContact O-CD2 3.48Å; C94-F118 HydrophobicContact CB-CE2 3.8Å; C94-F118 HydrophobicContact CB-CZ 4.25Å; C94-V120 PolarHBondContact O-N 3.5Å; C94-V120 VanDerWaalsContact O-O 3.06Å; C94-P190 HydrophobicContact CB-CB 4.02Å; C94-P190 HydrophobicContact CB-CG 4.36Å |
| 95 | Q | 95.1 | Very high | 94.3 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 16% | 0.164 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 103.9 | -176.3 | -59.4 | 177.5 | 21 | 0 | 0 | 110.5 | V90 Y91 H92 V120 L169 | V90-Q95 CarbonylContact C-O 3.5Å; V90-Q95 VanDerWaalsContact CA-O 3.26Å; V90-Q95 WeakPolarHBondContact CA-O 3.41Å; Y91-Q95 PolarHBondContact N-O 3.25Å; Y91-Q95 WeakPolarHBondContact O-CB 3.4Å; Y91-Q95 PolarHBondContact O-N 3.37Å; H92-Q95 PolarHBondContact CD2-NE2 3.22Å; Q95-V120 CarbonylContact C-O 3.56Å; Q95-V120 WeakPolarHBondContact CA-O 3.43Å; Q95-V120 HydrophobicContact CG-CB 4.3Å; Q95-L169 HydrophobicContact CG-CD1 4.37Å |
| 96 | Y | 95.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 120.2 | -176.1 | -72.6 | -110.8 | 0 | 0 | 0 | 111.7 | A88 R89 V90 C94 L99 L107 L119 V120 R121 E122 I193 | A88-Y96 HydrophobicContact CB-CD1 4.18Å; R89-Y96 CarbonylContact O-C 3.42Å; R89-Y96 WeakPolarHBondContact O-CA 3.18Å; V90-Y96 HydrophobicContact CG1-CD2 3.95Å; V90-Y96 HydrophobicContact CG1-CE1 4.5Å; V90-Y96 HydrophobicContact CG1-CE2 3.73Å; V90-Y96 HydrophobicContact CG1-CG 4.41Å; V90-Y96 HydrophobicContact CG2-CD1 3.45Å; V90-Y96 VanDerWaalsContact CG2-CD1 3.45Å; V90-Y96 HydrophobicContact CG2-CD2 4.2Å; V90-Y96 HydrophobicContact CG2-CE1 3.33Å; V90-Y96 HydrophobicContact CG2-CE2 4.08Å; V90-Y96 HydrophobicContact CG2-CG 3.89Å; C94-Y96 WeakPolarHBondContact O-CD2 3.48Å; Y96-L99 HydrophobicContact CD1-CB 4.41Å; Y96-L99 HydrophobicContact CD1-CD2 3.74Å; Y96-L99 HydrophobicContact CD1-CG 4.49Å; Y96-L99 HydrophobicContact CD2-CD2 4.38Å; Y96-L99 HydrophobicContact CE1-CD2 4.48Å; Y96-L99 HydrophobicContact CG-CB 4.4Å; Y96-L99 HydrophobicContact CG-CD2 3.68Å; Y96-L107 HydrophobicContact CE1-CD1 4.38Å; Y96-L119 HydrophobicContact CD2-CB 3.77Å; Y96-L119 HydrophobicContact CD2-CD1 4.46Å; Y96-L119 HydrophobicContact CD2-CD2 4.34Å; Y96-L119 HydrophobicContact CD2-CG 4.42Å; Y96-L119 HydrophobicContact CE2-CB 3.73Å; Y96-L119 HydrophobicContact CE2-CD2 4.22Å; Y96-V120 PolarHBondContact N-O 3.33Å; Y96-R121 WeakPolarHBondContact O-CA 3.32Å; Y96-E122 PolarHBondContact O-N 2.79Å; Y96-I193 WeakPolarHBondContact OH-CG1 3.43Å |
| 97 | E | 92.8 | Very high | 94.5 | Very high | 58 Ų | 58 | 50.6 Ų | 50.6 | 27% | 0.271 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 137.9 | 169.1 | -165.6 | -165.8 | 171.2 | 0 | 0 | 109.7 | A88 R89 Y91 L99 | A88-E97 VanDerWaalsContact CB-O 3.29Å; A88-E97 WeakPolarHBondContact CB-O 3.45Å; R89-E97 HydrophobicContact CB-CB 4.21Å; R89-E97 WeakPolarHBondContact CD-OE2 3.27Å; R89-E97 IonicContact CZ-OE2 3.72Å; R89-E97 IonicContact NH1-OE1 2.72Å; R89-E97 PolarHBondContact NH1-OE1 3.11Å; R89-E97 IonicContact NH1-OE2 3.35Å; R89-E97 PolarHBondContact NH1-OE2 2.92Å; R89-E97 PolarHBondContact O-N 2.99Å; Y91-E97 HydrophobicContact CE2-CB 4.23Å; E97-L99 VanDerWaalsContact C-N 3.25Å; E97-L99 PolarHBondContact O-N 3.5Å |
| 98 | G | 89.2 | Confident | 94.6 | Very high | 58 Ų | 58 | 49.9 Ų | 49.9 | 60% | 0.598 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 74 | 6.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 99 | L | 95.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | trans | -87.3 | 122.2 | -179.7 | -177 | 70.4 | 0 | 0 | 0 | 112.5 | L40 Y96 E97 K103 A104 L107 L119 R121 | L40-L99 HydrophobicContact CD2-CD1 3.49Å; L40-L99 VanDerWaalsContact CD2-CD1 3.49Å; Y96-L99 HydrophobicContact CD1-CB 4.41Å; Y96-L99 HydrophobicContact CD1-CD2 3.74Å; Y96-L99 HydrophobicContact CD1-CG 4.49Å; Y96-L99 HydrophobicContact CD2-CD2 4.38Å; Y96-L99 HydrophobicContact CE1-CD2 4.48Å; Y96-L99 HydrophobicContact CG-CB 4.4Å; Y96-L99 HydrophobicContact CG-CD2 3.68Å; E97-L99 VanDerWaalsContact C-N 3.25Å; E97-L99 PolarHBondContact O-N 3.5Å; L99-K103 HydrophobicContact CD1-CB 3.72Å; L99-K103 HydrophobicContact CD1-CG 3.69Å; L99-A104 HydrophobicContact CD2-CB 3.79Å; L99-A104 HydrophobicContact CG-CB 4.19Å; L99-L107 HydrophobicContact CD1-CD1 3.83Å; L99-L107 HydrophobicContact CD2-CD1 4.49Å; L99-L119 HydrophobicContact CD2-CD1 3.63Å; L99-L119 HydrophobicContact CD2-CD2 3.68Å; L99-L119 HydrophobicContact CD2-CG 4.32Å; L99-R121 HydrophobicContact CB-CB 4.26Å; L99-R121 HydrophobicContact CD2-CB 4.33Å | ||
| 100 | S | 94.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 18% | 0.175 | 25% | 0.249 | C | C | . | . | trans | -75.3 | 159.4 | 176.4 | 78.7 | 0 | 0 | 0 | 0 | 113.2 | K102 K103 A104 | S100-K102 PolarHBondContact O-N 2.89Å; S100-K103 PolarHBondContact O-N 2.74Å; S100-K103 WeakPolarHBondContact OG-CB 3.43Å; S100-K103 PolarHBondContact OG-N 2.94Å; S100-K103 VanDerWaalsContact OG-N 3.15Å; S100-A104 PolarHBondContact O-N 3.27Å | ||
| 101 | R | 95.1 | Very high | 94.5 | Very high | 135 Ų | 135 | 57.3 Ų | 57.3 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.9 | -50.9 | 175.6 | 179.8 | -179.8 | 174.6 | 172.9 | 0.8 | 112 | K103 A104 E105 | R101-K103 VanDerWaalsContact C-N 3.25Å; R101-K103 PolarHBondContact O-N 2.86Å; R101-A104 WeakPolarHBondContact O-CB 3.14Å; R101-A104 PolarHBondContact O-N 3.19Å; R101-E105 IonicContact NE-OE1 2.71Å; R101-E105 PolarHBondContact NE-OE1 3.27Å; R101-E105 WeakPolarHBondContact O-CG 3.45Å; R101-E105 PolarHBondContact O-N 3.35Å |
| 102 | K | 95.6 | Very high | 94.4 | Very high | 144 Ų | 144 | 58.9 Ų | 58.9 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60 | -40.6 | -179.6 | -176.8 | -179.1 | 175.7 | -175.6 | 0 | 110.8 | S100 E105 E106 | S100-K102 PolarHBondContact O-N 2.89Å; K102-E105 WeakPolarHBondContact O-CB 3.29Å; K102-E105 PolarHBondContact O-N 2.8Å; K102-E106 WeakPolarHBondContact CE-OE1 3.41Å; K102-E106 PolarHBondContact O-N 2.88Å; K102-E106 VanDerWaalsContact O-N 3.12Å |
| 103 | K | 95.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.9 | -35.5 | -178.1 | -162.3 | 70.3 | -157.9 | 173.5 | 0 | 113.3 | L40 Y41 L99 S100 R101 E105 E106 L107 | L40-K103 VanDerWaalsContact C-CE 3.45Å; L40-K103 HydrophobicContact CB-CD 4.42Å; L40-K103 HydrophobicContact CB-CG 4.2Å; L40-K103 HydrophobicContact CD2-CG 4.16Å; L40-K103 WeakPolarHBondContact O-CE 3.31Å; L40-K103 PolarHBondContact O-NZ 2.7Å; Y41-K103 HydrophobicContact CD1-CD 4.41Å; Y41-K103 HydrophobicContact CE1-CD 3.88Å; L99-K103 HydrophobicContact CD1-CB 3.72Å; L99-K103 HydrophobicContact CD1-CG 3.69Å; S100-K103 PolarHBondContact O-N 2.74Å; S100-K103 WeakPolarHBondContact OG-CB 3.43Å; S100-K103 PolarHBondContact OG-N 2.94Å; S100-K103 VanDerWaalsContact OG-N 3.15Å; R101-K103 VanDerWaalsContact C-N 3.25Å; R101-K103 PolarHBondContact O-N 2.86Å; K103-E105 VanDerWaalsContact C-N 3.26Å; K103-E105 PolarHBondContact O-N 2.94Å; K103-E106 WeakPolarHBondContact CD-OE2 3.41Å; K103-E106 WeakPolarHBondContact CE-OE2 3.07Å; K103-E106 IonicContact NZ-OE2 3.89Å; K103-E106 PolarHBondContact NZ-OE2 3.44Å; K103-E106 PolarHBondContact O-N 2.82Å; K103-L107 WeakPolarHBondContact O-CG 2.7Å; K103-L107 PolarHBondContact O-N 2.88Å |
| 104 | A | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L99 S100 R101 L108 L119 | L99-A104 HydrophobicContact CD2-CB 3.79Å; L99-A104 HydrophobicContact CG-CB 4.19Å; S100-A104 PolarHBondContact O-N 3.27Å; R101-A104 WeakPolarHBondContact O-CB 3.14Å; R101-A104 PolarHBondContact O-N 3.19Å; A104-L108 WeakPolarHBondContact O-CB 3.4Å; A104-L108 WeakPolarHBondContact O-CG 3.48Å; A104-L108 PolarHBondContact O-N 2.79Å; A104-L119 HydrophobicContact CB-CD1 3.88Å; A104-L119 HydrophobicContact CB-CD2 4.14Å; A104-L119 HydrophobicContact CB-CG 4.47Å |
| 105 | E | 97 | Very high | 94.8 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 176.2 | -62.4 | 174 | 179.9 | 0 | 0 | 111.1 | R101 K102 K103 L107 L108 L109 V145 H147 | R101-E105 IonicContact NE-OE1 2.71Å; R101-E105 PolarHBondContact NE-OE1 3.27Å; R101-E105 WeakPolarHBondContact O-CG 3.45Å; R101-E105 PolarHBondContact O-N 3.35Å; K102-E105 WeakPolarHBondContact O-CB 3.29Å; K102-E105 PolarHBondContact O-N 2.8Å; K103-E105 VanDerWaalsContact C-N 3.26Å; K103-E105 PolarHBondContact O-N 2.94Å; E105-L107 PolarHBondContact O-N 3.14Å; E105-L108 PolarHBondContact O-N 2.79Å; E105-L109 WeakPolarHBondContact O-CB 3.21Å; E105-L109 WeakPolarHBondContact O-CG 3.41Å; E105-L109 PolarHBondContact O-N 3.1Å; E105-V145 HydrophobicContact CB-CG2 4.44Å; E105-V145 HydrophobicContact CG-CB 4.02Å; E105-V145 HydrophobicContact CG-CG1 4.16Å; E105-V145 HydrophobicContact CG-CG2 4.49Å; E105-H147 WeakPolarHBondContact CG-NE2 3.26Å; E105-H147 IonicContact OE1-CD2 3.89Å; E105-H147 IonicContact OE1-CE1 3.37Å; E105-H147 IonicContact OE1-NE2 2.7Å; E105-H147 PolarHBondContact OE1-NE2 2.93Å |
| 106 | E | 96.4 | Very high | 94.9 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 177.4 | -69.6 | 174.5 | -163.4 | 0 | 0 | 112.5 | K102 K103 L109 L110 | K102-E106 WeakPolarHBondContact CE-OE1 3.41Å; K102-E106 PolarHBondContact O-N 2.88Å; K102-E106 VanDerWaalsContact O-N 3.12Å; K103-E106 WeakPolarHBondContact CD-OE2 3.41Å; K103-E106 WeakPolarHBondContact CE-OE2 3.07Å; K103-E106 IonicContact NZ-OE2 3.89Å; K103-E106 PolarHBondContact NZ-OE2 3.44Å; K103-E106 PolarHBondContact O-N 2.82Å; E106-L109 PolarHBondContact O-N 3.3Å; E106-L110 PolarHBondContact O-N 3.42Å |
| 107 | L | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67 | -46.2 | 179.7 | -68.8 | 179.1 | 0 | 0 | 0 | 112.1 | L40 A55 Y96 L99 K103 E105 L109 L110 N113 | L40-L107 HydrophobicContact CD2-CD1 4.11Å; A55-L107 HydrophobicContact CB-CD2 4.44Å; Y96-L107 HydrophobicContact CE1-CD1 4.38Å; L99-L107 HydrophobicContact CD1-CD1 3.83Å; L99-L107 HydrophobicContact CD2-CD1 4.49Å; K103-L107 WeakPolarHBondContact O-CG 2.7Å; K103-L107 PolarHBondContact O-N 2.88Å; E105-L107 PolarHBondContact O-N 3.14Å; L107-L109 PolarHBondContact O-N 3.02Å; L107-L110 HydrophobicContact CD2-CD1 4.06Å; L107-L110 VanDerWaalsContact O-CB 3.25Å; L107-L110 WeakPolarHBondContact O-CB 3.38Å; L107-L110 VanDerWaalsContact O-CG 3.28Å; L107-L110 WeakPolarHBondContact O-CG 3.26Å; L107-L110 PolarHBondContact O-N 3.44Å; L107-L110 VanDerWaalsContact O-N 3.14Å; L107-N113 PolarHBondContact O-ND2 3.29Å |
| 108 | L | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -29.7 | 179.3 | -77.6 | 170.9 | 0 | 0 | 0 | 112.4 | A104 E105 L110 N113 L119 R135 V145 C191 | A104-L108 WeakPolarHBondContact O-CB 3.4Å; A104-L108 WeakPolarHBondContact O-CG 3.48Å; A104-L108 PolarHBondContact O-N 2.79Å; E105-L108 PolarHBondContact O-N 2.79Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 2.86Å; L108-N113 WeakPolarHBondContact O-CB 3.36Å; L108-N113 PolarHBondContact O-ND2 3.36Å; L108-L119 HydrophobicContact CD1-CD2 4.24Å; L108-L119 HydrophobicContact CD1-CG 4.15Å; L108-L119 HydrophobicContact CD2-CD2 4.37Å; L108-L119 HydrophobicContact CG-CD2 3.97Å; L108-L119 HydrophobicContact CG-CG 4.33Å; L108-R135 HydrophobicContact CB-CB 4.45Å; L108-R135 WeakPolarHBondContact O-CD 3.37Å; L108-R135 PolarHBondContact O-NH1 3.28Å; L108-V145 HydrophobicContact CB-CG2 3.92Å; L108-V145 HydrophobicContact CD1-CG1 3.73Å; L108-V145 HydrophobicContact CD1-CG2 4.22Å; L108-C191 HydrophobicContact CD2-CB 3.81Å |
| 109 | L | 95.7 | Very high | 95.7 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 40% | 0.398 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -2.4 | 177.5 | -67.2 | 173.5 | 0 | 0 | 0 | 113.9 | E105 E106 L107 C143 V145 | E105-L109 WeakPolarHBondContact O-CB 3.21Å; E105-L109 WeakPolarHBondContact O-CG 3.41Å; E105-L109 PolarHBondContact O-N 3.1Å; E106-L109 PolarHBondContact O-N 3.3Å; L107-L109 PolarHBondContact O-N 3.02Å; L109-C143 HydrophobicContact CD2-CB 3.65Å; L109-V145 HydrophobicContact CD2-CG2 4.2Å; L109-V145 HydrophobicContact CG-CG2 4.11Å |
| 110 | L | 94 | Very high | 95.8 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -58.2 | 147.9 | 170.4 | -68.1 | 174.3 | 0 | 0 | 0 | 111.3 | E106 L107 L108 N112 N113 R135 | E106-L110 PolarHBondContact O-N 3.42Å; L107-L110 HydrophobicContact CD2-CD1 4.06Å; L107-L110 VanDerWaalsContact O-CB 3.25Å; L107-L110 WeakPolarHBondContact O-CB 3.38Å; L107-L110 VanDerWaalsContact O-CG 3.28Å; L107-L110 WeakPolarHBondContact O-CG 3.26Å; L107-L110 PolarHBondContact O-N 3.44Å; L107-L110 VanDerWaalsContact O-N 3.14Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 2.86Å; L110-N112 PolarHBondContact O-N 2.79Å; L110-N112 VanDerWaalsContact O-N 3.12Å; L110-N113 PolarHBondContact O-N 2.8Å; L110-N113 VanDerWaalsContact O-N 3.13Å; L110-R135 PolarHBondContact O-NH1 3.48Å |
| 111 | P | 92 | Very high | 95.8 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 69% | 0.688 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.1 | -170.9 | 24.8 | -35.2 | 0 | 0 | 0 | 114.2 | N113 | P111-N113 VanDerWaalsContact C-N 3.25Å; P111-N113 PolarHBondContact O-N 3.38Å |
| 112 | N | 91.9 | Very high | 95.7 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 49% | 0.492 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13 | 179.3 | -60.2 | 89.5 | 0 | 0 | 0 | 113.8 | L110 F192 | L110-N112 PolarHBondContact O-N 2.79Å; L110-N112 VanDerWaalsContact O-N 3.12Å; N112-F192 HydrophobicContact CB-CB 3.98Å; N112-F192 HydrophobicContact CB-CD1 3.39Å; N112-F192 HydrophobicContact CB-CD2 4.36Å; N112-F192 HydrophobicContact CB-CE1 3.9Å; N112-F192 HydrophobicContact CB-CG 3.65Å |
| 113 | N | 94.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | trans | -90.8 | 152.2 | 177.8 | -70.6 | -54.6 | 0 | 0 | 0 | 111.1 | L107 L108 L110 P111 R135 C191 F192 | L107-N113 PolarHBondContact O-ND2 3.29Å; L108-N113 WeakPolarHBondContact O-CB 3.36Å; L108-N113 PolarHBondContact O-ND2 3.36Å; L110-N113 PolarHBondContact O-N 2.8Å; L110-N113 VanDerWaalsContact O-N 3.13Å; P111-N113 VanDerWaalsContact C-N 3.25Å; P111-N113 PolarHBondContact O-N 3.38Å; N113-R135 PolarHBondContact O-NH1 3.38Å; N113-R135 PolarHBondContact O-NH2 3.27Å; N113-C191 WeakPolarHBondContact OD1-CA 3.05Å; N113-F192 WeakPolarHBondContact OD1-CB 3.42Å; N113-F192 PolarHBondContact OD1-N 2.79Å | ||
| 114 | Q | 94.6 | Very high | 94.3 | Very high | 126 Ų | 126 | 44.5 Ų | 44.5 | 59% | 0.589 | 23% | 0.231 | S | C | * | . | trans | -118.9 | 176.1 | -179.6 | -63 | -60.3 | -26.5 | 0 | 0 | 111 | G116 S117 R135 | Q114-G116 PolarHBondContact O-N 3.49Å; Q114-S117 PolarHBondContact N-OG 3.05Å; Q114-S117 VanDerWaalsContact O-CB 3.22Å; Q114-S117 WeakPolarHBondContact O-CB 3.3Å; Q114-S117 PolarHBondContact O-N 3.26Å; Q114-S117 PolarHBondContact O-OG 3.24Å; Q114-R135 WeakPolarHBondContact O-CD 3.13Å; Q114-R135 WeakPolarHBondContact O-CG 3.37Å | ||
| 115 | T | 95.2 | Very high | 93.2 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 41% | 0.405 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 136.5 | 168.9 | -66.6 | 0 | 0 | 0 | 0 | 109.6 | S117 T137 C185 | T115-S117 VanDerWaalsContact C-N 3.26Å; T115-T137 WeakPolarHBondContact OG1-CB 3.43Å; T115-T137 PolarHBondContact OG1-N 2.77Å; T115-T137 VanDerWaalsContact OG1-N 3.1Å; T115-T137 PolarHBondContact OG1-OG1 2.94Å; T115-C185 HydrophobicContact CG2-CB 4.46Å |
| 116 | G | 96.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -10.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q114 F118 R135 L186 G188 | Q114-G116 PolarHBondContact O-N 3.49Å; G116-F118 PolarHBondContact O-N 2.95Å; G116-R135 PolarHBondContact N-O 3.42Å; G116-L186 WeakPolarHBondContact CA-O 3.34Å; G116-G188 PolarHBondContact O-N 3.11Å |
| 117 | S | 97.7 | Very high | 91.2 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | trans | -60.8 | 136.1 | 172.9 | -70.4 | 0 | 0 | 0 | 0 | 110.9 | Q114 T115 R135 E189 | Q114-S117 PolarHBondContact N-OG 3.05Å; Q114-S117 VanDerWaalsContact O-CB 3.22Å; Q114-S117 WeakPolarHBondContact O-CB 3.3Å; Q114-S117 PolarHBondContact O-N 3.26Å; Q114-S117 PolarHBondContact O-OG 3.24Å; T115-S117 VanDerWaalsContact C-N 3.26Å; S117-R135 PolarHBondContact O-N 3.03Å; S117-E189 WeakPolarHBondContact CA-O 3.04Å | ||
| 118 | F | 98.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 162.7 | -169.1 | 75.4 | -81.5 | 0 | 0 | 0 | 113.4 | C94 G116 L132 S133 V134 V173 L187 G188 E189 P190 C191 | C94-F118 HydrophobicContact CB-CE2 3.8Å; C94-F118 HydrophobicContact CB-CZ 4.25Å; G116-F118 PolarHBondContact O-N 2.95Å; F118-L132 HydrophobicContact CB-CD1 4.19Å; F118-L132 HydrophobicContact CD2-CD1 3.73Å; F118-L132 HydrophobicContact CG-CD1 4.33Å; F118-S133 CarbonylContact C-O 3.53Å; F118-S133 WeakPolarHBondContact CA-O 3.43Å; F118-S133 WeakPolarHBondContact CB-O 3.49Å; F118-V134 HydrophobicContact CB-CG2 4.21Å; F118-V173 HydrophobicContact CE1-CG1 4.32Å; F118-V173 HydrophobicContact CE2-CB 4.37Å; F118-V173 HydrophobicContact CE2-CG1 3.58Å; F118-V173 HydrophobicContact CE2-CG2 3.79Å; F118-V173 HydrophobicContact CZ-CG1 3.33Å; F118-V173 HydrophobicContact CZ-CG2 4.42Å; F118-L187 HydrophobicContact CB-CD2 3.9Å; F118-L187 HydrophobicContact CD1-CB 3.87Å; F118-L187 HydrophobicContact CD1-CD2 4.28Å; F118-L187 HydrophobicContact CD1-CG 4.44Å; F118-L187 HydrophobicContact CD2-CD1 4.25Å; F118-L187 HydrophobicContact CE1-CB 4.06Å; F118-L187 HydrophobicContact CE2-CD1 4.41Å; F118-L187 HydrophobicContact CG-CB 4.37Å; F118-L187 HydrophobicContact CG-CD1 4.33Å; F118-L187 HydrophobicContact CG-CD2 4Å; F118-L187 HydrophobicContact CG-CG 4.46Å; F118-G188 VanDerWaalsContact CE1-O 3.29Å; F118-G188 WeakPolarHBondContact CE1-O 3.32Å; F118-E189 PolarHBondContact N-O 2.78Å; F118-P190 HydrophobicContact CE1-CG 4.25Å; F118-P190 HydrophobicContact CZ-CG 4.15Å; F118-P190 CarbonylContact O-C 3.52Å; F118-P190 WeakPolarHBondContact O-CA 3.47Å; F118-C191 PolarHBondContact O-N 2.96Å |
| 119 | L | 97.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.2 | 165.2 | 61.9 | 82 | 0 | 0 | 0 | 109.8 | Y96 L99 A104 L108 R121 S133 C191 | Y96-L119 HydrophobicContact CD2-CB 3.77Å; Y96-L119 HydrophobicContact CD2-CD1 4.46Å; Y96-L119 HydrophobicContact CD2-CD2 4.34Å; Y96-L119 HydrophobicContact CD2-CG 4.42Å; Y96-L119 HydrophobicContact CE2-CB 3.73Å; Y96-L119 HydrophobicContact CE2-CD2 4.22Å; L99-L119 HydrophobicContact CD2-CD1 3.63Å; L99-L119 HydrophobicContact CD2-CD2 3.68Å; L99-L119 HydrophobicContact CD2-CG 4.32Å; A104-L119 HydrophobicContact CB-CD1 3.88Å; A104-L119 HydrophobicContact CB-CD2 4.14Å; A104-L119 HydrophobicContact CB-CG 4.47Å; L108-L119 HydrophobicContact CD1-CD2 4.24Å; L108-L119 HydrophobicContact CD1-CG 4.15Å; L108-L119 HydrophobicContact CD2-CD2 4.37Å; L108-L119 HydrophobicContact CG-CD2 3.97Å; L108-L119 HydrophobicContact CG-CG 4.33Å; L119-R121 HydrophobicContact CD1-CB 4.01Å; L119-R121 HydrophobicContact CD1-CG 4.15Å; L119-S133 PolarHBondContact N-O 3.15Å; L119-S133 PolarHBondContact O-N 3.11Å; L119-C191 HydrophobicContact CB-CB 4.11Å; L119-C191 HydrophobicContact CD2-CB 4Å |
| 120 | V | 97.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 134.6 | 168.5 | -178.8 | 0 | 0 | 0 | 0 | 107 | C94 Q95 Y96 H130 S131 L132 I150 L169 V173 | C94-V120 PolarHBondContact O-N 3.5Å; C94-V120 VanDerWaalsContact O-O 3.06Å; Q95-V120 CarbonylContact C-O 3.56Å; Q95-V120 WeakPolarHBondContact CA-O 3.43Å; Q95-V120 HydrophobicContact CG-CB 4.3Å; Y96-V120 PolarHBondContact N-O 3.33Å; V120-H130 HydrophobicContact CG1-CB 4.01Å; V120-S131 WeakPolarHBondContact CA-O 3.38Å; V120-L132 HydrophobicContact CG2-CD1 4Å; V120-I150 HydrophobicContact CG1-CD1 4.03Å; V120-I150 HydrophobicContact CG2-CD1 4.48Å; V120-L169 HydrophobicContact CG1-CD1 4.19Å; V120-L169 HydrophobicContact CG1-CD2 4.43Å; V120-V173 HydrophobicContact CG2-CG2 4.18Å |
| 121 | R | 96.3 | Very high | 89.8 | Confident | 13 Ų | 13 | 52 Ų | 52 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 156.2 | 175.9 | 59.9 | 175.4 | 178.8 | 74.2 | 6.5 | 110.7 | Y96 L99 L119 H130 S131 S133 H147 | Y96-R121 WeakPolarHBondContact O-CA 3.32Å; L99-R121 HydrophobicContact CB-CB 4.26Å; L99-R121 HydrophobicContact CD2-CB 4.33Å; L119-R121 HydrophobicContact CD1-CB 4.01Å; L119-R121 HydrophobicContact CD1-CG 4.15Å; R121-H130 CarbonylContact O-C 3.5Å; R121-H130 WeakPolarHBondContact O-CA 3.47Å; R121-S131 PolarHBondContact N-O 2.82Å; R121-S131 PolarHBondContact O-N 3.27Å; R121-S133 PolarHBondContact NE-OG 2.9Å; R121-H147 PolarHBondContact NH2-ND1 2.75Å |
| 122 | E | 91.6 | Very high | 90 | Very high | 93 Ų | 93 | 47 Ų | 47 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 146.3 | 169.7 | -65 | -176.6 | 156.8 | 0 | 0 | 111.5 | Y96 Q124 | Y96-E122 PolarHBondContact O-N 2.79Å; E122-Q124 PolarHBondContact O-N 3.46Å |
| 123 | S | 83.3 | Confident | 90.3 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | trans | -81.3 | 110.5 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | T125 R126 A129 | S123-T125 PolarHBondContact O-N 2.71Å; S123-T125 PolarHBondContact OG-OG1 3.45Å; S123-R126 CarbonylContact O-C 3.56Å; S123-R126 PolarHBondContact O-N 2.68Å; S123-R126 VanDerWaalsContact O-N 3.11Å; S123-A129 WeakPolarHBondContact CB-O 3.16Å; S123-A129 PolarHBondContact N-O 2.89Å | ||
| 124 | Q | 78.6 | Confident | 90.5 | Very high | 136 Ų | 136 | 42.5 Ų | 42.5 | 64% | 0.636 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -25.4 | 176 | -62.1 | -175.7 | -66.5 | 0 | 0 | 113.9 | E122 | E122-Q124 PolarHBondContact O-N 3.46Š|
| 125 | T | 75.3 | Confident | 90.6 | Very high | 119 Ų | 119 | 37.6 Ų | 37.6 | 73% | 0.73 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -15.5 | -177.4 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | S123 | S123-T125 PolarHBondContact O-N 2.71Å; S123-T125 PolarHBondContact OG-OG1 3.45Å |
| 126 | R | 75.6 | Confident | 90.5 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -150.9 | 105.8 | -172.9 | -70.9 | -176.7 | -57.2 | 142.8 | 16 | 110.2 | S123 G128 A129 R149 | S123-R126 CarbonylContact O-C 3.56Å; S123-R126 PolarHBondContact O-N 2.68Å; S123-R126 VanDerWaalsContact O-N 3.11Å; R126-G128 PolarHBondContact O-N 2.85Å; R126-A129 HydrophobicContact CB-CB 3.9Å; R126-A129 VanDerWaalsContact NH2-CB 3.34Å; R126-A129 WeakPolarHBondContact O-CB 3.42Å; R126-A129 PolarHBondContact O-N 3.3Å; R126-A129 VanDerWaalsContact O-N 3.11Å; R126-R149 VanDerWaalsContact CZ-NE 3.32Å; R126-R149 VanDerWaalsContact NH2-CG 3.32Å; R126-R149 VanDerWaalsContact NH2-CZ 3.34Å |
| 127 | P | 74.3 | Confident | 90.2 | Very high | 138 Ų | 138 | 39.6 Ų | 39.6 | 90% | 0.896 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 138.1 | 173.6 | -25.5 | 34.8 | 0 | 0 | 0 | 111.3 | A129 | P127-A129 PolarHBondContact O-N 3.29Š|
| 128 | G | 76.9 | Confident | 89.5 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 51% | 0.505 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -13 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R126 Q152 | R126-G128 PolarHBondContact O-N 2.85Å; G128-Q152 PolarHBondContact O-OE1 2.84Å |
| 129 | A | 86.5 | Confident | 88.4 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | trans | -87.9 | 146.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S123 R126 P127 | S123-A129 WeakPolarHBondContact CB-O 3.16Å; S123-A129 PolarHBondContact N-O 2.89Å; R126-A129 HydrophobicContact CB-CB 3.9Å; R126-A129 VanDerWaalsContact NH2-CB 3.34Å; R126-A129 WeakPolarHBondContact O-CB 3.42Å; R126-A129 PolarHBondContact O-N 3.3Å; R126-A129 VanDerWaalsContact O-N 3.11Å; P127-A129 PolarHBondContact O-N 3.29Å | ||
| 130 | H | 94.9 | Very high | 87.5 | Confident | 33 Ų | 33 | 57.2 Ų | 57.2 | 15% | 0.153 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 165.3 | 178.3 | -62.4 | 87.1 | 0 | 0 | 0 | 110.8 | V120 R121 I150 L169 | V120-H130 HydrophobicContact CG1-CB 4.01Å; R121-H130 CarbonylContact O-C 3.5Å; R121-H130 WeakPolarHBondContact O-CA 3.47Å; H130-I150 HydrophobicContact CB-CB 3.92Å; H130-I150 HydrophobicContact CB-CD1 4.03Å; H130-I150 HydrophobicContact CB-CG2 4.3Å; H130-I150 PolarHBondContact N-O 3.12Å; H130-I150 PolarHBondContact O-N 2.82Å; H130-I150 VanDerWaalsContact O-O 3.12Å; H130-L169 HydrophobicContact CB-CD2 4.34Å |
| 131 | S | 96.1 | Very high | 86.1 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 128.7 | 172.8 | -64.1 | 0 | 0 | 0 | 0 | 109.6 | V120 R121 Y148 | V120-S131 WeakPolarHBondContact CA-O 3.38Å; R121-S131 PolarHBondContact N-O 2.82Å; R121-S131 PolarHBondContact O-N 3.27Å; S131-Y148 CarbonylContact C-O 3.58Å; S131-Y148 VanDerWaalsContact CA-O 3.29Å; S131-Y148 WeakPolarHBondContact CA-O 3.36Å |
| 132 | L | 97.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.8 | 171.2 | 175.8 | 66.6 | 0 | 0 | 0 | 108.6 | F118 V120 V134 H147 Y148 I150 I160 L183 L187 | F118-L132 HydrophobicContact CB-CD1 4.19Å; F118-L132 HydrophobicContact CD2-CD1 3.73Å; F118-L132 HydrophobicContact CG-CD1 4.33Å; V120-L132 HydrophobicContact CG2-CD1 4Å; L132-V134 HydrophobicContact CD1-CG2 4.22Å; L132-V134 HydrophobicContact CD2-CG2 4.07Å; L132-V134 HydrophobicContact CG-CG2 3.75Å; L132-H147 CarbonylContact O-C 3.57Å; L132-H147 WeakPolarHBondContact O-CA 3.32Å; L132-Y148 HydrophobicContact CD2-CD2 4.28Å; L132-Y148 HydrophobicContact CG-CD2 4.43Å; L132-Y148 PolarHBondContact N-O 3.48Å; L132-Y148 PolarHBondContact O-N 2.48Å; L132-I150 HydrophobicContact CB-CD1 3.87Å; L132-I150 HydrophobicContact CB-CG1 4.28Å; L132-I160 HydrophobicContact CB-CD1 4.42Å; L132-I160 HydrophobicContact CD2-CD1 3.75Å; L132-L183 HydrophobicContact CD2-CD1 3.91Å; L132-L187 HydrophobicContact CD1-CD1 4.26Å; L132-L187 HydrophobicContact CD1-CD2 4.38Å; L132-L187 HydrophobicContact CD2-CD1 4.23Å; L132-L187 HydrophobicContact CD2-CD2 4.23Å |
| 133 | S | 98 | Very high | 85.3 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.6 | 175.5 | -64.2 | 0 | 0 | 0 | 0 | 108.8 | F118 L119 R121 K146 H147 | F118-S133 CarbonylContact C-O 3.53Å; F118-S133 WeakPolarHBondContact CA-O 3.43Å; F118-S133 WeakPolarHBondContact CB-O 3.49Å; L119-S133 PolarHBondContact N-O 3.15Å; L119-S133 PolarHBondContact O-N 3.11Å; R121-S133 PolarHBondContact NE-OG 2.9Å; S133-K146 CarbonylContact C-O 3.57Å; S133-K146 WeakPolarHBondContact CA-O 3.37Å; S133-H147 PolarHBondContact OG-CE1 3.4Å; S133-H147 VanDerWaalsContact OG-CE1 3.24Å; S133-H147 PolarHBondContact OG-ND1 3.25Å |
| 134 | V | 97.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 127.7 | -174.5 | -169.6 | 0 | 0 | 0 | 0 | 110.1 | F118 L132 V145 K146 Y148 L187 | F118-V134 HydrophobicContact CB-CG2 4.21Å; L132-V134 HydrophobicContact CD1-CG2 4.22Å; L132-V134 HydrophobicContact CD2-CG2 4.07Å; L132-V134 HydrophobicContact CG-CG2 3.75Å; V134-V145 CarbonylContact O-C 3.57Å; V134-V145 WeakPolarHBondContact O-CA 3.32Å; V134-K146 PolarHBondContact N-O 2.83Å; V134-K146 PolarHBondContact O-N 2.94Å; V134-Y148 HydrophobicContact CB-CE2 4.39Å; V134-Y148 HydrophobicContact CG2-CD2 4.14Å; V134-Y148 HydrophobicContact CG2-CE2 3.93Å; V134-L187 HydrophobicContact CG1-CD2 4.06Å; V134-L187 HydrophobicContact CG2-CD2 3.64Å |
| 135 | R | 97.3 | Very high | 86.7 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 8% | 0.083 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132.6 | 171.8 | 173.6 | 165.8 | 173.4 | 174.6 | -8.4 | 110.5 | L108 L110 N113 Q114 G116 S117 | L108-R135 HydrophobicContact CB-CB 4.45Å; L108-R135 WeakPolarHBondContact O-CD 3.37Å; L108-R135 PolarHBondContact O-NH1 3.28Å; L110-R135 PolarHBondContact O-NH1 3.48Å; N113-R135 PolarHBondContact O-NH1 3.38Å; N113-R135 PolarHBondContact O-NH2 3.27Å; Q114-R135 WeakPolarHBondContact O-CD 3.13Å; Q114-R135 WeakPolarHBondContact O-CG 3.37Å; G116-R135 PolarHBondContact N-O 3.42Å; S117-R135 PolarHBondContact O-N 3.03Å |
| 136 | K | 94.3 | Very high | 87.7 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 120.3 | 170.9 | -176.5 | 176.6 | -175 | 171.9 | 0 | 109.9 | S144 C184 | K136-S144 PolarHBondContact N-O 3.32Å; K136-S144 PolarHBondContact O-N 3.2Å; K136-S144 PolarHBondContact O-OG 3.21Å; K136-C184 HydrophobicContact CD-CB 3.99Å |
| 137 | T | 88.9 | Confident | 88.7 | Confident | 41 Ų | 41 | 64.6 Ų | 64.6 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 134.9 | 162.1 | -52 | 0 | 0 | 0 | 0 | 108.6 | T115 C143 | T115-T137 WeakPolarHBondContact OG1-CB 3.43Å; T115-T137 PolarHBondContact OG1-N 2.77Å; T115-T137 VanDerWaalsContact OG1-N 3.1Å; T115-T137 PolarHBondContact OG1-OG1 2.94Å; T137-C143 PolarHBondContact OG1-SG 2.97Å |
| 138 | S | 83 | Confident | 89.7 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | trans | -100.5 | 159 | 173.4 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | Q140 D141 R142 | S138-Q140 PolarHBondContact O-N 2.78Å; S138-D141 PolarHBondContact O-N 2.85Å; S138-R142 PolarHBondContact N-O 2.74Å; S138-R142 PolarHBondContact OG-O 3.3Å | ||
| 139 | D | 75.6 | Confident | 90.6 | Very high | 177 Ų | 177 | 63.7 Ų | 63.7 | 95% | 0.947 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -15.5 | -178.4 | -66.2 | -32.7 | 0 | 0 | 0 | 114.4 | D141 | D139-D141 VanDerWaalsContact C-N 3.3Å; D139-D141 PolarHBondContact O-N 2.81Å |
| 140 | Q | 77.8 | Confident | 91 | Very high | 160 Ų | 160 | 63.2 Ų | 63.2 | 75% | 0.748 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 23.2 | 174.9 | -64.2 | -171.8 | -15.5 | 0 | 0 | 113.2 | S138 R142 | S138-Q140 PolarHBondContact O-N 2.78Å; Q140-R142 PolarHBondContact O-N 3.49Å |
| 141 | D | 69 | Low | 90.9 | Very high | 147 Ų | 147 | 64.9 Ų | 64.9 | 79% | 0.786 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 56.8 | 11.1 | -175.6 | -86 | -26.9 | 0 | 0 | 0 | 115.5 | S138 D139 C143 | S138-D141 PolarHBondContact O-N 2.85Å; D139-D141 VanDerWaalsContact C-N 3.3Å; D139-D141 PolarHBondContact O-N 2.81Å; D141-C143 PolarHBondContact O-N 3.44Å |
| 142 | R | 83.4 | Confident | 90.7 | Very high | 183 Ų | 183 | 68.8 Ų | 68.8 | 69% | 0.691 | 33% | 0.334 | S | S | * | . | trans | -83.4 | 110.6 | 174.4 | -61.3 | -170.7 | 72.8 | -164.5 | 2.4 | 109 | S138 Q140 | S138-R142 PolarHBondContact N-O 2.74Å; S138-R142 PolarHBondContact OG-O 3.3Å; Q140-R142 PolarHBondContact O-N 3.49Å | ||
| 143 | C | 88.3 | Confident | 90.4 | Very high | 54 Ų | 54 | 72.1 Ų | 72.1 | 37% | 0.365 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 132 | 168.6 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | L109 T137 D141 | L109-C143 HydrophobicContact CD2-CB 3.65Å; T137-C143 PolarHBondContact OG1-SG 2.97Å; D141-C143 PolarHBondContact O-N 3.44Å |
| 144 | S | 93.8 | Very high | 90.1 | Very high | 53 Ų | 53 | 82.1 Ų | 82.1 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 162.4 | 178 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | K136 | K136-S144 PolarHBondContact N-O 3.32Å; K136-S144 PolarHBondContact O-N 3.2Å; K136-S144 PolarHBondContact O-OG 3.21Å |
| 145 | V | 96.9 | Very high | 89.8 | Confident | 23 Ų | 23 | 87 Ų | 87 | 14% | 0.139 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.1 | 176.5 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | E105 L108 L109 V134 | E105-V145 HydrophobicContact CB-CG2 4.44Å; E105-V145 HydrophobicContact CG-CB 4.02Å; E105-V145 HydrophobicContact CG-CG1 4.16Å; E105-V145 HydrophobicContact CG-CG2 4.49Å; L108-V145 HydrophobicContact CB-CG2 3.92Å; L108-V145 HydrophobicContact CD1-CG1 3.73Å; L108-V145 HydrophobicContact CD1-CG2 4.22Å; L109-V145 HydrophobicContact CD2-CG2 4.2Å; L109-V145 HydrophobicContact CG-CG2 4.11Å; V134-V145 CarbonylContact O-C 3.57Å; V134-V145 WeakPolarHBondContact O-CA 3.32Å |
| 146 | K | 96.6 | Very high | 89.5 | Confident | 97 Ų | 97 | 87.1 Ų | 87.1 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 144.2 | 172.3 | -70.5 | -154.4 | -173.1 | -175.8 | 0 | 110.3 | S133 V134 Y148 C184 | S133-K146 CarbonylContact C-O 3.57Å; S133-K146 WeakPolarHBondContact CA-O 3.37Å; V134-K146 PolarHBondContact N-O 2.83Å; V134-K146 PolarHBondContact O-N 2.94Å; K146-Y148 HydrophobicContact CB-CE2 3.95Å; K146-C184 HydrophobicContact CD-CB 3.67Å |
| 147 | H | 96.1 | Very high | 89.5 | Confident | 44 Ų | 44 | 88.8 Ų | 88.8 | 20% | 0.204 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.1 | -179.9 | -59.3 | -98 | 0 | 0 | 0 | 109.7 | E105 R121 L132 S133 | E105-H147 WeakPolarHBondContact CG-NE2 3.26Å; E105-H147 IonicContact OE1-CD2 3.89Å; E105-H147 IonicContact OE1-CE1 3.37Å; E105-H147 IonicContact OE1-NE2 2.7Å; E105-H147 PolarHBondContact OE1-NE2 2.93Å; R121-H147 PolarHBondContact NH2-ND1 2.75Å; L132-H147 CarbonylContact O-C 3.57Å; L132-H147 WeakPolarHBondContact O-CA 3.32Å; S133-H147 PolarHBondContact OG-CE1 3.4Å; S133-H147 VanDerWaalsContact OG-CE1 3.24Å; S133-H147 PolarHBondContact OG-ND1 3.25Å |
| 148 | Y | 95.8 | Very high | 89.8 | Confident | 36 Ų | 36 | 87.7 Ų | 87.7 | 14% | 0.141 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.2 | 175 | -54.5 | -88.6 | 0 | 0 | 0 | 109 | S131 L132 V134 K146 I160 L183 C184 | S131-Y148 CarbonylContact C-O 3.58Å; S131-Y148 VanDerWaalsContact CA-O 3.29Å; S131-Y148 WeakPolarHBondContact CA-O 3.36Å; L132-Y148 HydrophobicContact CD2-CD2 4.28Å; L132-Y148 HydrophobicContact CG-CD2 4.43Å; L132-Y148 PolarHBondContact N-O 3.48Å; L132-Y148 PolarHBondContact O-N 2.48Å; V134-Y148 HydrophobicContact CB-CE2 4.39Å; V134-Y148 HydrophobicContact CG2-CD2 4.14Å; V134-Y148 HydrophobicContact CG2-CE2 3.93Å; K146-Y148 HydrophobicContact CB-CE2 3.95Å; Y148-I160 HydrophobicContact CD1-CG2 4.46Å; Y148-L183 HydrophobicContact CD1-CD2 3.51Å; Y148-L183 HydrophobicContact CD2-CD2 3.79Å; Y148-L183 HydrophobicContact CE1-CD2 3.57Å; Y148-L183 HydrophobicContact CE2-CD2 3.85Å; Y148-L183 HydrophobicContact CG-CD2 3.63Å; Y148-C184 WeakPolarHBondContact OH-CB 3.34Å; Y148-C184 PolarHBondContact OH-N 2.7Å; Y148-C184 PolarHBondContact OH-SG 2.87Å |
| 149 | R | 94.5 | Very high | 90.4 | Very high | 132 Ų | 132 | 86.6 Ų | 86.6 | 50% | 0.498 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 121.1 | 178.3 | 175 | 162.2 | 140.4 | 160.5 | 150.5 | 108.6 | R126 Q151 | R126-R149 VanDerWaalsContact CZ-NE 3.32Å; R126-R149 VanDerWaalsContact NH2-CG 3.32Å; R126-R149 VanDerWaalsContact NH2-CZ 3.34Å; R149-Q151 HydrophobicContact CG-CG 4.18Å |
| 150 | I | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.2 | 171.3 | -59.7 | 162.1 | 0 | 0 | 0 | 107 | V120 H130 L132 H158 F159 I160 L169 L172 | V120-I150 HydrophobicContact CG1-CD1 4.03Å; V120-I150 HydrophobicContact CG2-CD1 4.48Å; H130-I150 HydrophobicContact CB-CB 3.92Å; H130-I150 HydrophobicContact CB-CD1 4.03Å; H130-I150 HydrophobicContact CB-CG2 4.3Å; H130-I150 PolarHBondContact N-O 3.12Å; H130-I150 PolarHBondContact O-N 2.82Å; H130-I150 VanDerWaalsContact O-O 3.12Å; L132-I150 HydrophobicContact CB-CD1 3.87Å; L132-I150 HydrophobicContact CB-CG1 4.28Å; I150-H158 HydrophobicContact CG2-CB 3.9Å; I150-F159 WeakPolarHBondContact CA-O 3.38Å; I150-I160 HydrophobicContact CG1-CD1 4.11Å; I150-I160 HydrophobicContact CG1-CG1 3.77Å; I150-L169 HydrophobicContact CD1-CD2 4.09Å; I150-L169 HydrophobicContact CG2-CD2 3.99Å; I150-L172 HydrophobicContact CD1-CD2 4.49Å; I150-L172 HydrophobicContact CG1-CD1 4.41Å; I150-L172 HydrophobicContact CG2-CD1 4.06Å |
| 151 | Q | 92.1 | Very high | 92 | Very high | 67 Ų | 67 | 74.2 Ų | 74.2 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 152.5 | 174.1 | -61.5 | -171.2 | -94.4 | 0 | 0 | 109.6 | R149 H158 F159 | R149-Q151 HydrophobicContact CG-CG 4.18Å; Q151-H158 CarbonylContact O-C 3.51Å; Q151-H158 VanDerWaalsContact O-CA 3.27Å; Q151-H158 WeakPolarHBondContact O-CA 3.31Å; Q151-F159 HydrophobicContact CB-CD1 4.16Å; Q151-F159 HydrophobicContact CB-CD2 4.47Å; Q151-F159 HydrophobicContact CB-CE1 3.63Å; Q151-F159 HydrophobicContact CB-CE2 3.99Å; Q151-F159 HydrophobicContact CB-CZ 3.55Å; Q151-F159 HydrophobicContact CG-CE2 4.39Å; Q151-F159 HydrophobicContact CG-CZ 4.23Å; Q151-F159 PolarHBondContact N-O 3Å; Q151-F159 PolarHBondContact O-N 3.25Å |
| 152 | Q | 91.9 | Very high | 92.8 | Very high | 94 Ų | 94 | 72 Ų | 72 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.8 | 174 | -170.2 | 175.1 | -2.4 | 0 | 0 | 108.2 | G128 W157 | G128-Q152 PolarHBondContact O-OE1 2.84Å; Q152-W157 CarbonylContact C-O 3.58Å; Q152-W157 VanDerWaalsContact CA-O 3.3Å; Q152-W157 WeakPolarHBondContact CA-O 3.29Å |
| 153 | L | 91.3 | Very high | 93.2 | Very high | 71 Ų | 71 | 68.8 Ų | 68.8 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | trans | -82.1 | 165.1 | 173.2 | -70.3 | 165.4 | 0 | 0 | 0 | 110 | N155 G156 W157 F159 T165 | L153-N155 WeakPolarHBondContact CB-OD1 3.38Å; L153-N155 PolarHBondContact O-N 3.48Å; L153-G156 PolarHBondContact O-N 3.05Å; L153-W157 HydrophobicContact CD1-CB 4.13Å; L153-W157 PolarHBondContact N-O 2.86Å; L153-F159 HydrophobicContact CD1-CD1 4.11Å; L153-F159 HydrophobicContact CD1-CE1 4.37Å; L153-F159 HydrophobicContact CD2-CD1 4.29Å; L153-F159 HydrophobicContact CD2-CE1 3.72Å; L153-F159 HydrophobicContact CG-CD1 3.85Å; L153-F159 HydrophobicContact CG-CE1 3.71Å; L153-T165 HydrophobicContact CD1-CG2 3.83Å | ||
| 154 | E | 91.3 | Very high | 93.4 | Very high | 209 Ų | 209 | 68.7 Ų | 68.7 | 98% | 0.977 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -29.9 | 178.7 | -63.7 | 178.9 | 179.5 | 0 | 0 | 112.8 | G156 | E154-G156 PolarHBondContact O-N 3.02Š|
| 155 | N | 92.6 | Very high | 93.5 | Very high | 103 Ų | 103 | 68.7 Ų | 68.7 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 5.1 | 174.5 | 70.3 | -7.3 | 0 | 0 | 0 | 113.7 | L153 W157 | L153-N155 WeakPolarHBondContact CB-OD1 3.38Å; L153-N155 PolarHBondContact O-N 3.48Å; N155-W157 VanDerWaalsContact C-N 3.34Å; N155-W157 PolarHBondContact O-N 3.03Å; N155-W157 WeakPolarHBondContact OD1-CB 3.4Å; N155-W157 PolarHBondContact OD1-N 3.19Å |
| 156 | G | 91.3 | Very high | 93.5 | Very high | 24 Ų | 24 | 68.5 Ų | 68.5 | 25% | 0.247 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 86.2 | -6.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L153 E154 | L153-G156 PolarHBondContact O-N 3.05Å; E154-G156 PolarHBondContact O-N 3.02Å |
| 157 | W | 94.8 | Very high | 93.5 | Very high | 106 Ų | 106 | 67.4 Ų | 67.4 | 40% | 0.402 | 35% | 0.351 | S | S | . | . | trans | -74.6 | 151.3 | -178 | -70.7 | 31.9 | 0 | 0 | 0 | 111.8 | Q152 L153 N155 F166 | Q152-W157 CarbonylContact C-O 3.58Å; Q152-W157 VanDerWaalsContact CA-O 3.3Å; Q152-W157 WeakPolarHBondContact CA-O 3.29Å; L153-W157 HydrophobicContact CD1-CB 4.13Å; L153-W157 PolarHBondContact N-O 2.86Å; N155-W157 VanDerWaalsContact C-N 3.34Å; N155-W157 PolarHBondContact O-N 3.03Å; N155-W157 WeakPolarHBondContact OD1-CB 3.4Å; N155-W157 PolarHBondContact OD1-N 3.19Å; W157-F166 CarbonylContact C-O 3.55Å; W157-F166 VanDerWaalsContact CA-O 3.26Å; W157-F166 WeakPolarHBondContact CA-O 3.31Å; W157-F166 WeakPolarHBondContact CB-O 3.5Å | ||
| 158 | H | 94.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 68.5 Ų | 68.5 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 147 | -176.7 | -58.9 | -73.4 | 0 | 0 | 0 | 112.1 | I150 Q151 T165 F166 L169 L172 | I150-H158 HydrophobicContact CG2-CB 3.9Å; Q151-H158 CarbonylContact O-C 3.51Å; Q151-H158 VanDerWaalsContact O-CA 3.27Å; Q151-H158 WeakPolarHBondContact O-CA 3.31Å; H158-T165 CarbonylContact O-C 3.54Å; H158-T165 WeakPolarHBondContact O-CA 3.2Å; H158-F166 PolarHBondContact N-O 2.9Å; H158-F166 PolarHBondContact O-N 3.21Å; H158-L169 HydrophobicContact CB-CD2 4.32Å; H158-L172 HydrophobicContact CB-CD1 4.1Å |
| 159 | F | 94.8 | Very high | 93.3 | Very high | 21 Ų | 21 | 67.3 Ų | 67.3 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 154.5 | 173.3 | 69.4 | -86.7 | 0 | 0 | 0 | 112.6 | I150 Q151 L153 P162 L164 T165 | I150-F159 WeakPolarHBondContact CA-O 3.38Å; Q151-F159 HydrophobicContact CB-CD1 4.16Å; Q151-F159 HydrophobicContact CB-CD2 4.47Å; Q151-F159 HydrophobicContact CB-CE1 3.63Å; Q151-F159 HydrophobicContact CB-CE2 3.99Å; Q151-F159 HydrophobicContact CB-CZ 3.55Å; Q151-F159 HydrophobicContact CG-CE2 4.39Å; Q151-F159 HydrophobicContact CG-CZ 4.23Å; Q151-F159 PolarHBondContact N-O 3Å; Q151-F159 PolarHBondContact O-N 3.25Å; L153-F159 HydrophobicContact CD1-CD1 4.11Å; L153-F159 HydrophobicContact CD1-CE1 4.37Å; L153-F159 HydrophobicContact CD2-CD1 4.29Å; L153-F159 HydrophobicContact CD2-CE1 3.72Å; L153-F159 HydrophobicContact CG-CD1 3.85Å; L153-F159 HydrophobicContact CG-CE1 3.71Å; F159-P162 HydrophobicContact CE2-CB 4.44Å; F159-P162 HydrophobicContact CE2-CG 4.14Å; F159-L164 WeakPolarHBondContact CB-O 3.49Å; F159-T165 HydrophobicContact CB-CG2 4.04Å; F159-T165 HydrophobicContact CG-CG2 4.47Å |
| 160 | I | 94.9 | Very high | 93.3 | Very high | 34 Ų | 34 | 63.7 Ų | 63.7 | 17% | 0.174 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -104.8 | -47.3 | 165.7 | -65.1 | 173.1 | 0 | 0 | 0 | 109.1 | L132 Y148 I150 L172 Y176 L183 | L132-I160 HydrophobicContact CB-CD1 4.42Å; L132-I160 HydrophobicContact CD2-CD1 3.75Å; Y148-I160 HydrophobicContact CD1-CG2 4.46Å; I150-I160 HydrophobicContact CG1-CD1 4.11Å; I150-I160 HydrophobicContact CG1-CG1 3.77Å; I160-L172 HydrophobicContact CD1-CD2 4.1Å; I160-L172 HydrophobicContact CG1-CD1 4.33Å; I160-Y176 HydrophobicContact CD1-CD2 4.35Å; I160-Y176 HydrophobicContact CD1-CE2 3.82Å; I160-Y176 HydrophobicContact CG1-CE2 4.44Å; I160-L183 HydrophobicContact CD1-CD2 4.2Å |
| 161 | S | 91.6 | Very high | 93.4 | Very high | 43 Ų | 43 | 65 Ų | 65 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -102 | 132.9 | 171.3 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | C163 L164 | S161-C163 PolarHBondContact O-N 2.73Å; S161-L164 PolarHBondContact O-N 2.89Å; S161-L164 VanDerWaalsContact O-O 3.11Å |
| 162 | P | 87.2 | Confident | 93.6 | Very high | 101 Ų | 101 | 61.8 Ų | 61.8 | 66% | 0.656 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.4 | -178.4 | -25.8 | 34.2 | 0 | 0 | 0 | 115 | F159 L164 | F159-P162 HydrophobicContact CE2-CB 4.44Å; F159-P162 HydrophobicContact CE2-CG 4.14Å; P162-L164 VanDerWaalsContact C-N 3.33Å |
| 163 | C | 90.5 | Very high | 93.8 | Very high | 115 Ų | 115 | 58 Ų | 58 | 78% | 0.777 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.5 | 179.2 | -56.4 | 0 | 0 | 0 | 0 | 113.6 | S161 | S161-C163 PolarHBondContact O-N 2.73Š|
| 164 | L | 94 | Very high | 94 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | trans | -130.1 | 100.7 | -174.9 | -65.9 | 174.3 | 0 | 0 | 0 | 109.6 | F159 S161 P162 F166 D181 | F159-L164 WeakPolarHBondContact CB-O 3.49Å; S161-L164 PolarHBondContact O-N 2.89Å; S161-L164 VanDerWaalsContact O-O 3.11Å; P162-L164 VanDerWaalsContact C-N 3.33Å; L164-F166 HydrophobicContact CB-CE2 4.1Å; L164-F166 HydrophobicContact CB-CZ 4.15Å; L164-F166 WeakPolarHBondContact O-CE2 3.18Å; L164-D181 HydrophobicContact CD1-CB 3.75Å; L164-D181 WeakPolarHBondContact CD1-OD2 3.28Å | ||
| 165 | T | 96.1 | Very high | 94.3 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 145.1 | -177.6 | 60 | 0 | 0 | 0 | 0 | 110.7 | L153 H158 F159 | L153-T165 HydrophobicContact CD1-CG2 3.83Å; H158-T165 CarbonylContact O-C 3.54Å; H158-T165 WeakPolarHBondContact O-CA 3.2Å; F159-T165 HydrophobicContact CB-CG2 4.04Å; F159-T165 HydrophobicContact CG-CG2 4.47Å |
| 166 | F | 96.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 9% | 0.088 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.2 | -172.7 | -56.5 | -81.6 | 0 | 0 | 0 | 110.7 | W157 H158 L164 T168 A171 L172 H175 Y176 | W157-F166 CarbonylContact C-O 3.55Å; W157-F166 VanDerWaalsContact CA-O 3.26Å; W157-F166 WeakPolarHBondContact CA-O 3.31Å; W157-F166 WeakPolarHBondContact CB-O 3.5Å; H158-F166 PolarHBondContact N-O 2.9Å; H158-F166 PolarHBondContact O-N 3.21Å; L164-F166 HydrophobicContact CB-CE2 4.1Å; L164-F166 HydrophobicContact CB-CZ 4.15Å; L164-F166 WeakPolarHBondContact O-CE2 3.18Å; F166-T168 VanDerWaalsContact C-N 3.31Å; F166-T168 PolarHBondContact O-N 2.94Å; F166-A171 HydrophobicContact CB-CB 4.37Å; F166-L172 HydrophobicContact CB-CB 3.95Å; F166-L172 HydrophobicContact CD2-CB 3.7Å; F166-L172 HydrophobicContact CD2-CD1 3.83Å; F166-L172 HydrophobicContact CD2-CG 3.69Å; F166-L172 HydrophobicContact CE2-CB 4.36Å; F166-L172 HydrophobicContact CE2-CD1 4.38Å; F166-L172 HydrophobicContact CE2-CG 4.02Å; F166-L172 HydrophobicContact CG-CB 3.8Å; F166-L172 HydrophobicContact CG-CG 4.32Å; F166-H175 HydrophobicContact CD1-CB 4.35Å; F166-H175 HydrophobicContact CE1-CB 3.42Å; F166-H175 VanDerWaalsContact CE1-CB 3.42Å; F166-H175 AromaticContact CE1-CG 3.52Å; F166-H175 AromaticContact CE1-ND1 3.86Å; F166-H175 HydrophobicContact CZ-CB 3.73Å; F166-H175 AromaticContact CZ-CD2 3.67Å; F166-H175 AromaticContact CZ-CG 3.51Å; F166-Y176 HydrophobicContact CE2-CE2 4.08Å; F166-Y176 HydrophobicContact CZ-CE2 4.44Å |
| 167 | P | 95.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 47.8 Ų | 47.8 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -70.2 | -27 | -179.5 | 27.8 | -35 | 0 | 0 | 0 | 113.2 | A171 | P167-A171 HydrophobicContact CG-CB 4.31Š|
| 168 | T | 94.4 | Very high | 94.9 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -139.6 | 158 | -178.8 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | F166 T170 A171 L172 | F166-T168 VanDerWaalsContact C-N 3.31Å; F166-T168 PolarHBondContact O-N 2.94Å; T168-T170 PolarHBondContact O-N 2.73Å; T168-A171 PolarHBondContact O-N 2.89Å; T168-A171 WeakPolarHBondContact OG1-CB 3.45Å; T168-A171 PolarHBondContact OG1-N 3.35Å; T168-A171 VanDerWaalsContact OG1-N 3.1Å; T168-L172 PolarHBondContact O-N 2.86Å; T168-L172 VanDerWaalsContact O-N 3.11Å |
| 169 | L | 94.2 | Very high | 94.9 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -33.2 | 172 | -69.8 | 174.6 | 0 | 0 | 0 | 112.2 | Q95 V120 H130 I150 H158 L172 V173 | Q95-L169 HydrophobicContact CG-CD1 4.37Å; V120-L169 HydrophobicContact CG1-CD1 4.19Å; V120-L169 HydrophobicContact CG1-CD2 4.43Å; H130-L169 HydrophobicContact CB-CD2 4.34Å; I150-L169 HydrophobicContact CD1-CD2 4.09Å; I150-L169 HydrophobicContact CG2-CD2 3.99Å; H158-L169 HydrophobicContact CB-CD2 4.32Å; L169-L172 WeakPolarHBondContact O-CB 3.11Å; L169-L172 PolarHBondContact O-N 2.7Å; L169-V173 WeakPolarHBondContact O-CG2 3.3Å; L169-V173 PolarHBondContact O-N 3.29Å |
| 170 | T | 94.7 | Very high | 94.8 | Very high | 55 Ų | 55 | 54 Ų | 54 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 175.8 | -48.5 | 0 | 0 | 0 | 0 | 110.9 | T168 L172 V173 D174 | T168-T170 PolarHBondContact O-N 2.73Å; T170-L172 VanDerWaalsContact C-N 3.25Å; T170-L172 PolarHBondContact O-N 3.06Å; T170-V173 WeakPolarHBondContact O-CB 3.44Å; T170-V173 PolarHBondContact O-N 3.12Å; T170-D174 PolarHBondContact O-N 2.91Å |
| 171 | A | 96.3 | Very high | 94.7 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -35.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F166 P167 T168 H175 | F166-A171 HydrophobicContact CB-CB 4.37Å; P167-A171 HydrophobicContact CG-CB 4.31Å; T168-A171 PolarHBondContact O-N 2.89Å; T168-A171 WeakPolarHBondContact OG1-CB 3.45Å; T168-A171 PolarHBondContact OG1-N 3.35Å; T168-A171 VanDerWaalsContact OG1-N 3.1Å; A171-H175 PolarHBondContact O-N 2.9Å; A171-H175 VanDerWaalsContact O-N 3.13Å |
| 172 | L | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 172.5 | -176.2 | 154.9 | 0 | 0 | 0 | 111.1 | I150 H158 I160 F166 T168 L169 T170 Y176 | I150-L172 HydrophobicContact CD1-CD2 4.49Å; I150-L172 HydrophobicContact CG1-CD1 4.41Å; I150-L172 HydrophobicContact CG2-CD1 4.06Å; H158-L172 HydrophobicContact CB-CD1 4.1Å; I160-L172 HydrophobicContact CD1-CD2 4.1Å; I160-L172 HydrophobicContact CG1-CD1 4.33Å; F166-L172 HydrophobicContact CB-CB 3.95Å; F166-L172 HydrophobicContact CD2-CB 3.7Å; F166-L172 HydrophobicContact CD2-CD1 3.83Å; F166-L172 HydrophobicContact CD2-CG 3.69Å; F166-L172 HydrophobicContact CE2-CB 4.36Å; F166-L172 HydrophobicContact CE2-CD1 4.38Å; F166-L172 HydrophobicContact CE2-CG 4.02Å; F166-L172 HydrophobicContact CG-CB 3.8Å; F166-L172 HydrophobicContact CG-CG 4.32Å; T168-L172 PolarHBondContact O-N 2.86Å; T168-L172 VanDerWaalsContact O-N 3.11Å; L169-L172 WeakPolarHBondContact O-CB 3.11Å; L169-L172 PolarHBondContact O-N 2.7Å; T170-L172 VanDerWaalsContact C-N 3.25Å; T170-L172 PolarHBondContact O-N 3.06Å; L172-Y176 HydrophobicContact CD2-CD2 3.69Å; L172-Y176 HydrophobicContact CD2-CE2 3.95Å; L172-Y176 HydrophobicContact CG-CD2 4.01Å; L172-Y176 HydrophobicContact CG-CE2 3.94Å; L172-Y176 WeakPolarHBondContact O-CD2 3.49Å; L172-Y176 PolarHBondContact O-N 2.85Å |
| 173 | V | 96.4 | Very high | 95.1 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 9% | 0.085 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 178.8 | 165.9 | 0 | 0 | 0 | 0 | 111.2 | F118 V120 L169 T170 H175 Y176 S177 L187 | F118-V173 HydrophobicContact CE1-CG1 4.32Å; F118-V173 HydrophobicContact CE2-CB 4.37Å; F118-V173 HydrophobicContact CE2-CG1 3.58Å; F118-V173 HydrophobicContact CE2-CG2 3.79Å; F118-V173 HydrophobicContact CZ-CG1 3.33Å; F118-V173 HydrophobicContact CZ-CG2 4.42Å; V120-V173 HydrophobicContact CG2-CG2 4.18Å; L169-V173 WeakPolarHBondContact O-CG2 3.3Å; L169-V173 PolarHBondContact O-N 3.29Å; T170-V173 WeakPolarHBondContact O-CB 3.44Å; T170-V173 PolarHBondContact O-N 3.12Å; V173-H175 VanDerWaalsContact C-N 3.35Å; V173-H175 PolarHBondContact O-N 2.91Å; V173-Y176 PolarHBondContact O-N 2.8Å; V173-S177 PolarHBondContact O-N 2.79Å; V173-L187 HydrophobicContact CB-CD1 4.48Å; V173-L187 HydrophobicContact CG1-CD1 4.27Å; V173-L187 HydrophobicContact CG2-CD1 4.44Å |
| 174 | D | 96.4 | Very high | 95.2 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 47% | 0.471 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 179.6 | -64.1 | -22.8 | 0 | 0 | 0 | 110.6 | T170 Y176 S177 | T170-D174 PolarHBondContact O-N 2.91Å; D174-Y176 PolarHBondContact O-N 3.48Å; D174-S177 WeakPolarHBondContact O-CB 3.32Å; D174-S177 PolarHBondContact O-N 3.17Å; D174-S177 VanDerWaalsContact O-N 3.15Å; D174-S177 PolarHBondContact O-OG 2.96Å |
| 175 | H | 96.9 | Very high | 95.3 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.9 | -49.7 | 175.9 | 179.4 | 90.6 | 0 | 0 | 0 | 112.8 | F166 A171 V173 S177 E178 V179 D181 | F166-H175 HydrophobicContact CD1-CB 4.35Å; F166-H175 HydrophobicContact CE1-CB 3.42Å; F166-H175 VanDerWaalsContact CE1-CB 3.42Å; F166-H175 AromaticContact CE1-CG 3.52Å; F166-H175 AromaticContact CE1-ND1 3.86Å; F166-H175 HydrophobicContact CZ-CB 3.73Å; F166-H175 AromaticContact CZ-CD2 3.67Å; F166-H175 AromaticContact CZ-CG 3.51Å; A171-H175 PolarHBondContact O-N 2.9Å; A171-H175 VanDerWaalsContact O-N 3.13Å; V173-H175 VanDerWaalsContact C-N 3.35Å; V173-H175 PolarHBondContact O-N 2.91Å; H175-S177 PolarHBondContact O-N 2.98Å; H175-E178 PolarHBondContact O-N 2.91Å; H175-E178 VanDerWaalsContact O-N 3.15Å; H175-V179 PolarHBondContact O-N 2.9Å; H175-D181 IonicContact CD2-OD2 3.91Å; H175-D181 IonicContact CE1-OD2 3.49Å; H175-D181 PolarHBondContact CE1-OD2 2.61Å; H175-D181 IonicContact NE2-OD2 3.64Å; H175-D181 PolarHBondContact NE2-OD2 2.79Å |
| 176 | Y | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.4 | -7.2 | -178.1 | -74.7 | -67.1 | 0 | 0 | 0 | 114 | I160 F166 L172 V173 D174 V179 T180 D181 L183 L187 | I160-Y176 HydrophobicContact CD1-CD2 4.35Å; I160-Y176 HydrophobicContact CD1-CE2 3.82Å; I160-Y176 HydrophobicContact CG1-CE2 4.44Å; F166-Y176 HydrophobicContact CE2-CE2 4.08Å; F166-Y176 HydrophobicContact CZ-CE2 4.44Å; L172-Y176 HydrophobicContact CD2-CD2 3.69Å; L172-Y176 HydrophobicContact CD2-CE2 3.95Å; L172-Y176 HydrophobicContact CG-CD2 4.01Å; L172-Y176 HydrophobicContact CG-CE2 3.94Å; L172-Y176 WeakPolarHBondContact O-CD2 3.49Å; L172-Y176 PolarHBondContact O-N 2.85Å; V173-Y176 PolarHBondContact O-N 2.8Å; D174-Y176 PolarHBondContact O-N 3.48Å; Y176-V179 VanDerWaalsContact CA-O 3.31Å; Y176-V179 WeakPolarHBondContact CA-O 3.42Å; Y176-T180 WeakPolarHBondContact CD1-O 3.37Å; Y176-T180 WeakPolarHBondContact CE1-O 3.21Å; Y176-D181 HydrophobicContact CE1-CB 3.89Å; Y176-L183 HydrophobicContact CD1-CD1 3.29Å; Y176-L183 HydrophobicContact CD1-CD2 4.41Å; Y176-L183 HydrophobicContact CD1-CG 3.48Å; Y176-L183 VanDerWaalsContact CD1-CG 3.48Å; Y176-L183 HydrophobicContact CD2-CD1 4.2Å; Y176-L183 HydrophobicContact CE1-CD1 3.9Å; Y176-L183 HydrophobicContact CE1-CD2 4.18Å; Y176-L183 HydrophobicContact CE1-CG 3.61Å; Y176-L183 HydrophobicContact CG-CD1 3.47Å; Y176-L183 VanDerWaalsContact CG-CD1 3.47Å; Y176-L183 HydrophobicContact CG-CG 4.15Å; Y176-L187 PolarHBondContact O-N 2.66Å |
| 177 | S | 96.4 | Very high | 95.3 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -77.7 | -28.4 | 169.5 | 80.3 | 0 | 0 | 0 | 0 | 112.5 | V173 D174 H175 L187 | V173-S177 PolarHBondContact O-N 2.79Å; D174-S177 WeakPolarHBondContact O-CB 3.32Å; D174-S177 PolarHBondContact O-N 3.17Å; D174-S177 VanDerWaalsContact O-N 3.15Å; D174-S177 PolarHBondContact O-OG 2.96Å; H175-S177 PolarHBondContact O-N 2.98Å; S177-L187 WeakPolarHBondContact CA-O 3.5Å |
| 178 | E | 96.6 | Very high | 95.4 | Very high | 155 Ų | 155 | 46.1 Ų | 46.1 | 72% | 0.724 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -95.5 | -38.5 | -180 | -62.5 | -177 | -179.6 | 0 | 0 | 112.2 | H175 L186 | H175-E178 PolarHBondContact O-N 2.91Å; H175-E178 VanDerWaalsContact O-N 3.15Å; E178-L186 VanDerWaalsContact C-CD2 3.45Å; E178-L186 WeakPolarHBondContact O-CD2 3.47Å |
| 179 | V | 95.6 | Very high | 95.4 | Very high | 61 Ų | 61 | 49 Ų | 49 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | trans | -132.8 | 137.6 | -174.2 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | H175 Y176 D181 | H175-V179 PolarHBondContact O-N 2.9Å; Y176-V179 VanDerWaalsContact CA-O 3.31Å; Y176-V179 WeakPolarHBondContact CA-O 3.42Å; V179-D181 VanDerWaalsContact CG1-OD1 3.23Å; V179-D181 WeakPolarHBondContact CG1-OD1 3.49Å | ||
| 180 | T | 93.1 | Very high | 95.6 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 36% | 0.362 | 30% | 0.3 | S | S | . | . | trans | -74.4 | -37.9 | -177.4 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | Y176 G182 L183 L186 | Y176-T180 WeakPolarHBondContact CD1-O 3.37Å; Y176-T180 WeakPolarHBondContact CE1-O 3.21Å; T180-G182 PolarHBondContact O-N 2.8Å; T180-L183 VanDerWaalsContact O-CB 3.25Å; T180-L183 WeakPolarHBondContact O-CB 3.37Å; T180-L183 WeakPolarHBondContact O-CG 3.33Å; T180-L183 PolarHBondContact O-N 3.03Å; T180-L186 HydrophobicContact CG2-CD2 3.58Å; T180-L186 HydrophobicContact CG2-CG 3.75Å | ||
| 181 | D | 93.1 | Very high | 95.7 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 37.8 | 47.5 | -179.4 | -72.7 | -16.8 | 0 | 0 | 0 | 115.8 | L164 H175 Y176 V179 | L164-D181 HydrophobicContact CD1-CB 3.75Å; L164-D181 WeakPolarHBondContact CD1-OD2 3.28Å; H175-D181 IonicContact CD2-OD2 3.91Å; H175-D181 IonicContact CE1-OD2 3.49Å; H175-D181 PolarHBondContact CE1-OD2 2.61Å; H175-D181 IonicContact NE2-OD2 3.64Å; H175-D181 PolarHBondContact NE2-OD2 2.79Å; Y176-D181 HydrophobicContact CE1-CB 3.89Å; V179-D181 VanDerWaalsContact CG1-OD1 3.23Å; V179-D181 WeakPolarHBondContact CG1-OD1 3.49Å |
| 182 | G | 91.4 | Very high | 95.6 | Very high | 72 Ų | 72 | 49.7 Ų | 49.7 | 74% | 0.742 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | -5.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T180 | T180-G182 PolarHBondContact O-N 2.8Š|
| 183 | L | 94.8 | Very high | 95.5 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -69.1 | 162.1 | 164.1 | -57.6 | -167.6 | 0 | 0 | 0 | 111 | L132 Y148 I160 Y176 T180 C185 L187 | L132-L183 HydrophobicContact CD2-CD1 3.91Å; Y148-L183 HydrophobicContact CD1-CD2 3.51Å; Y148-L183 HydrophobicContact CD2-CD2 3.79Å; Y148-L183 HydrophobicContact CE1-CD2 3.57Å; Y148-L183 HydrophobicContact CE2-CD2 3.85Å; Y148-L183 HydrophobicContact CG-CD2 3.63Å; I160-L183 HydrophobicContact CD1-CD2 4.2Å; Y176-L183 HydrophobicContact CD1-CD1 3.29Å; Y176-L183 HydrophobicContact CD1-CD2 4.41Å; Y176-L183 HydrophobicContact CD1-CG 3.48Å; Y176-L183 VanDerWaalsContact CD1-CG 3.48Å; Y176-L183 HydrophobicContact CD2-CD1 4.2Å; Y176-L183 HydrophobicContact CE1-CD1 3.9Å; Y176-L183 HydrophobicContact CE1-CD2 4.18Å; Y176-L183 HydrophobicContact CE1-CG 3.61Å; Y176-L183 HydrophobicContact CG-CD1 3.47Å; Y176-L183 VanDerWaalsContact CG-CD1 3.47Å; Y176-L183 HydrophobicContact CG-CG 4.15Å; T180-L183 VanDerWaalsContact O-CB 3.25Å; T180-L183 WeakPolarHBondContact O-CB 3.37Å; T180-L183 WeakPolarHBondContact O-CG 3.33Å; T180-L183 PolarHBondContact O-N 3.03Å; L183-C185 VanDerWaalsContact C-N 3.3Å; L183-C185 PolarHBondContact O-N 3.13Å; L183-L187 HydrophobicContact CD1-CD2 4.17Å; L183-L187 HydrophobicContact CD1-CG 4.37Å |
| 184 | C | 93.4 | Very high | 95.3 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -76.9 | -16.8 | -175.5 | 61.7 | 0 | 0 | 0 | 0 | 115.2 | K136 K146 Y148 | K136-C184 HydrophobicContact CD-CB 3.99Å; K146-C184 HydrophobicContact CD-CB 3.67Å; Y148-C184 WeakPolarHBondContact OH-CB 3.34Å; Y148-C184 PolarHBondContact OH-N 2.7Å; Y148-C184 PolarHBondContact OH-SG 2.87Å |
| 185 | C | 94.8 | Very high | 94.6 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -168.6 | 166.5 | 176.9 | 55.7 | 0 | 0 | 0 | 0 | 108 | T115 L183 | T115-C185 HydrophobicContact CG2-CB 4.46Å; L183-C185 VanDerWaalsContact C-N 3.3Å; L183-C185 PolarHBondContact O-N 3.13Å |
| 186 | L | 97 | Very high | 93.3 | Very high | 78 Ų | 78 | 49 Ų | 49 | 41% | 0.408 | 29% | 0.294 | S | S | . | . | trans | -64.3 | 150.3 | 171.5 | -66.5 | 172.9 | 0 | 0 | 0 | 110.4 | G116 E178 T180 G188 | G116-L186 WeakPolarHBondContact CA-O 3.34Å; E178-L186 VanDerWaalsContact C-CD2 3.45Å; E178-L186 WeakPolarHBondContact O-CD2 3.47Å; T180-L186 HydrophobicContact CG2-CD2 3.58Å; T180-L186 HydrophobicContact CG2-CG 3.75Å; L186-G188 PolarHBondContact O-N 3.36Å | ||
| 187 | L | 97.4 | Very high | 91.3 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | trans | -73.9 | 124.1 | 169 | -58.2 | -173.2 | 0 | 0 | 0 | 108.9 | F118 L132 V134 V173 Y176 S177 L183 | F118-L187 HydrophobicContact CB-CD2 3.9Å; F118-L187 HydrophobicContact CD1-CB 3.87Å; F118-L187 HydrophobicContact CD1-CD2 4.28Å; F118-L187 HydrophobicContact CD1-CG 4.44Å; F118-L187 HydrophobicContact CD2-CD1 4.25Å; F118-L187 HydrophobicContact CE1-CB 4.06Å; F118-L187 HydrophobicContact CE2-CD1 4.41Å; F118-L187 HydrophobicContact CG-CB 4.37Å; F118-L187 HydrophobicContact CG-CD1 4.33Å; F118-L187 HydrophobicContact CG-CD2 4Å; F118-L187 HydrophobicContact CG-CG 4.46Å; L132-L187 HydrophobicContact CD1-CD1 4.26Å; L132-L187 HydrophobicContact CD1-CD2 4.38Å; L132-L187 HydrophobicContact CD2-CD1 4.23Å; L132-L187 HydrophobicContact CD2-CD2 4.23Å; V134-L187 HydrophobicContact CG1-CD2 4.06Å; V134-L187 HydrophobicContact CG2-CD2 3.64Å; V173-L187 HydrophobicContact CB-CD1 4.48Å; V173-L187 HydrophobicContact CG1-CD1 4.27Å; V173-L187 HydrophobicContact CG2-CD1 4.44Å; Y176-L187 PolarHBondContact O-N 2.66Å; S177-L187 WeakPolarHBondContact CA-O 3.5Å; L183-L187 HydrophobicContact CD1-CD2 4.17Å; L183-L187 HydrophobicContact CD1-CG 4.37Å | ||
| 188 | G | 95.9 | Very high | 88.8 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | trans | -98.2 | -126.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | G116 F118 L186 | G116-G188 PolarHBondContact O-N 3.11Å; F118-G188 VanDerWaalsContact CE1-O 3.29Å; F118-G188 WeakPolarHBondContact CE1-O 3.32Å; L186-G188 PolarHBondContact O-N 3.36Å | ||
| 189 | E | 96.3 | Very high | 86 | Confident | 127 Ų | 127 | 55.2 Ų | 55.2 | 59% | 0.593 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -77.2 | 145.8 | 176.7 | -70.8 | -62.5 | 143.1 | 0 | 0 | 112.5 | R93 S117 F118 | R93-E189 IonicContact NH2-OE2 2.89Å; S117-E189 WeakPolarHBondContact CA-O 3.04Å; F118-E189 PolarHBondContact N-O 2.78Å |
| 190 | P | 96.8 | Very high | 83.3 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -53.4 | 156 | 166.7 | -25.3 | 34.9 | 0 | 0 | 0 | 112.3 | R93 C94 F118 F192 | R93-P190 HydrophobicContact CB-CG 4.47Å; C94-P190 HydrophobicContact CB-CB 4.02Å; C94-P190 HydrophobicContact CB-CG 4.36Å; F118-P190 HydrophobicContact CE1-CG 4.25Å; F118-P190 HydrophobicContact CZ-CG 4.15Å; F118-P190 CarbonylContact O-C 3.52Å; F118-P190 WeakPolarHBondContact O-CA 3.47Å; P190-F192 PolarHBondContact O-N 2.82Å; P190-F192 VanDerWaalsContact O-N 3.13Å |
| 191 | C | 96.9 | Very high | 80.8 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.027 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -50.6 | 123 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | L108 N113 F118 L119 I193 | L108-C191 HydrophobicContact CD2-CB 3.81Å; N113-C191 WeakPolarHBondContact OD1-CA 3.05Å; F118-C191 PolarHBondContact O-N 2.96Å; L119-C191 HydrophobicContact CB-CB 4.11Å; L119-C191 HydrophobicContact CD2-CB 4Å; C191-I193 PolarHBondContact O-N 3.16Å |
| 192 | F | 95.3 | Very high | 78.2 | Confident | 80 Ų | 80 | 61.4 Ų | 61.4 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -60 | 128.4 | -175.2 | -178.3 | -97.5 | 0 | 0 | 0 | 111.2 | N112 N113 P190 Q194 | N112-F192 HydrophobicContact CB-CB 3.98Å; N112-F192 HydrophobicContact CB-CD1 3.39Å; N112-F192 HydrophobicContact CB-CD2 4.36Å; N112-F192 HydrophobicContact CB-CE1 3.9Å; N112-F192 HydrophobicContact CB-CG 3.65Å; N113-F192 WeakPolarHBondContact OD1-CB 3.42Å; N113-F192 PolarHBondContact OD1-N 2.79Å; P190-F192 PolarHBondContact O-N 2.82Å; P190-F192 VanDerWaalsContact O-N 3.13Å; F192-Q194 HydrophobicContact CE1-CB 3.93Å |
| 193 | I | 94.4 | Very high | 75.9 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 8% | 0.077 | 39% | 0.387 | C | S | . | . | trans | -110.7 | 113 | 173.5 | -59.6 | 168.7 | 0 | 0 | 0 | 108.1 | V36 V38 G56 R58 V90 Y96 C191 S196 | V36-I193 HydrophobicContact CG2-CD1 3.98Å; V38-I193 HydrophobicContact CG2-CB 4.47Å; V38-I193 HydrophobicContact CG2-CD1 3.69Å; V38-I193 HydrophobicContact CG2-CG1 3.92Å; V38-I193 HydrophobicContact CG2-CG2 3.7Å; G56-I193 WeakPolarHBondContact O-CA 3.47Å; R58-I193 HydrophobicContact CB-CG2 3.83Å; V90-I193 HydrophobicContact CB-CD1 4.44Å; V90-I193 HydrophobicContact CG1-CD1 4.26Å; V90-I193 HydrophobicContact CG2-CD1 4.32Å; Y96-I193 WeakPolarHBondContact OH-CG1 3.43Å; C191-I193 PolarHBondContact O-N 3.16Å; I193-S196 WeakPolarHBondContact O-CB 3.46Å; I193-S196 PolarHBondContact O-N 3.5Å; I193-S196 PolarHBondContact O-OG 2.94Å | ||
| 194 | Q | 90.9 | Very high | 74 | Confident | 62 Ų | 62 | 66 Ų | 66 | 29% | 0.29 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 140.1 | 178.7 | -177.2 | -178.5 | -23.3 | 0 | 0 | 110.6 | G56 E57 R58 A75 F192 S196 | G56-Q194 PolarHBondContact O-N 2.75Å; E57-Q194 HydrophobicContact CB-CB 4.33Å; E57-Q194 HydrophobicContact CG-CB 4.15Å; E57-Q194 HydrophobicContact CG-CG 4.24Å; R58-Q194 WeakPolarHBondContact CB-O 3.49Å; R58-Q194 PolarHBondContact N-O 3.16Å; A75-Q194 HydrophobicContact CB-CG 4.29Å; F192-Q194 HydrophobicContact CE1-CB 3.93Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S196 PolarHBondContact O-N 3.12Å |
| 195 | G | 82.7 | Confident | 71.7 | Confident | 14 Ų | 14 | 71 Ų | 71 | 14% | 0.144 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 11.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N197 S198 | G195-N197 VanDerWaalsContact C-N 3.26Å; G195-S198 PolarHBondContact O-OG 3.04Å |
| 196 | S | 68.9 | Low | 69.3 | Low | 50 Ų | 50 | 77.2 Ų | 77.2 | 35% | 0.35 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.8 | 170.6 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | I193 Q194 | I193-S196 WeakPolarHBondContact O-CB 3.46Å; I193-S196 PolarHBondContact O-N 3.5Å; I193-S196 PolarHBondContact O-OG 2.94Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S196 PolarHBondContact O-N 3.12Å |
| 197 | N | 54.8 | Low | 66.8 | Low | 148 Ų | 148 | 78.9 Ų | 78.9 | 79% | 0.791 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -6.6 | -179 | -63.5 | -7 | 0 | 0 | 0 | 114.3 | G195 I199 | G195-N197 VanDerWaalsContact C-N 3.26Å; N197-I199 PolarHBondContact O-N 3.14Å |
| 198 | S | 44.1 | Very low | 64.3 | Low | 56 Ų | 56 | 86.9 Ų | 86.9 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | trans | -94.9 | 69.6 | 178.1 | 31.9 | 0 | 0 | 0 | 0 | 110.8 | S74 G195 P200 | S74-S198 PolarHBondContact O-OG 2.87Å; G195-S198 PolarHBondContact O-OG 3.04Å; S198-P200 VanDerWaalsContact O-CD 3.31Å; S198-P200 WeakPolarHBondContact O-CD 3.3Å | ||
| 199 | I | 39.4 | Very low | 62.1 | Low | 132 Ų | 132 | 89.3 Ų | 89.3 | 68% | 0.677 | 54% | 0.537 | S | S | * | . | trans | -72.2 | 114.1 | 142.4 | -60.7 | 174.8 | 0 | 0 | 0 | 103.4 | N197 V201 | N197-I199 PolarHBondContact O-N 3.14Å; I199-V201 VanDerWaalsContact C-N 3.27Å; I199-V201 PolarHBondContact O-N 2.99Å | ||
| 200 | P | 38.6 | Very low | 60 | Low | 111 Ų | 111 | 89 Ų | 89 | 72% | 0.721 | 54% | 0.544 | S | S | * | . | trans | -57.9 | 110 | 157.2 | 24.7 | -27.7 | 0 | 0 | 0 | 103.7 | S198 A202 | S198-P200 VanDerWaalsContact O-CD 3.31Å; S198-P200 WeakPolarHBondContact O-CD 3.3Å; P200-A202 PolarHBondContact O-N 2.84Å | ||
| 201 | V | 40.6 | Very low | 57.8 | Low | 124 Ų | 124 | 99 Ų | 99 | 75% | 0.752 | 58% | 0.578 | S | S | * | * | trans | -50 | 100.6 | 158.7 | 170.7 | 0 | 0 | 0 | 0 | 102.6 | I199 T203 | I199-V201 VanDerWaalsContact C-N 3.27Å; I199-V201 PolarHBondContact O-N 2.99Å; V201-T203 VanDerWaalsContact C-N 3.3Å; V201-T203 PolarHBondContact O-N 3.24Å | ||
| 202 | A | 37.8 | Very low | 55.5 | Low | 84 Ų | 84 | 108 Ų | 108 | 69% | 0.694 | 62% | 0.617 | S | S | * | * | trans | -57.5 | 112.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 102.3 | P200 G204 | P200-A202 PolarHBondContact O-N 2.84Å; A202-G204 PolarHBondContact O-N 2.86Å | ||
| 203 | T | 43 | Very low | 53.4 | Low | 142 Ų | 142 | 108.3 Ų | 108.3 | 87% | 0.871 | 63% | 0.634 | S | S | * | * | trans | -65 | 60.7 | 161 | -37.9 | 0 | 0 | 0 | 0 | 106.5 | V201 | V201-T203 VanDerWaalsContact C-N 3.3Å; V201-T203 PolarHBondContact O-N 3.24Å | ||
| 204 | G | 55 | Low | 51.1 | Low | 40 Ų | 40 | 114.2 Ų | 114.2 | 41% | 0.412 | 67% | 0.671 | S | S | . | * | trans | -62.7 | 151.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | A202 I206 | A202-G204 PolarHBondContact O-N 2.86Å; G204-I206 PolarHBondContact O-N 3.17Å | ||
| 205 | P | 44.8 | Very low | 49.3 | Very low | 129 Ų | 129 | 117.2 Ų | 117.2 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | trans | -51.7 | 131.4 | 175.7 | 23.3 | -31.3 | 0 | 0 | 0 | 107.9 | P207 | P205-P207 VanDerWaalsContact O-N 3.1Š| ||
| 206 | I | 44.3 | Very low | 48.1 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | -41.7 | 124.2 | 171.9 | -55.8 | 163.5 | 0 | 0 | 0 | 105.7 | G204 M208 | G204-I206 PolarHBondContact O-N 3.17Å; I206-M208 PolarHBondContact O-N 2.74Å | ||
| 207 | P | 44.1 | Very low | 47.4 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | trans | -54.6 | 115.4 | 172.6 | -11.4 | 21 | 0 | 0 | 0 | 104.6 | P205 A209 | P205-P207 VanDerWaalsContact O-N 3.1Å; P207-A209 VanDerWaalsContact C-N 3.25Å; P207-A209 PolarHBondContact O-N 2.83Å | ||
| 208 | M | 45.7 | Very low | 47.4 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 86% | 0.862 | 73% | 0.732 | S | S | * | * | trans | -56.3 | 106.2 | 170.2 | -97.1 | -165.3 | -69.1 | 0 | 0 | 104.4 | I206 V210 | I206-M208 PolarHBondContact O-N 2.74Å; M208-V210 PolarHBondContact O-N 2.73Å | ||
| 209 | A | 49 | Very low | 47.9 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | -63.5 | 91 | 169.8 | 0 | 0 | 0 | 0 | 0 | 104.6 | P207 R211 | P207-A209 VanDerWaalsContact C-N 3.25Å; P207-A209 PolarHBondContact O-N 2.83Å; A209-R211 PolarHBondContact O-N 2.95Å | ||
| 210 | V | 52.2 | Low | 48.5 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | trans | -61.3 | 102.6 | 163.5 | 177.3 | 0 | 0 | 0 | 0 | 103.3 | M208 K212 | M208-V210 PolarHBondContact O-N 2.73Å; V210-K212 VanDerWaalsContact C-N 3.28Å; V210-K212 PolarHBondContact O-N 2.76Å | ||
| 211 | R | 51.6 | Low | 49.2 | Very low | 234 Ų | 234 | 130.8 Ų | 130.8 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -55.8 | 102 | 168.4 | -74.6 | -179.1 | 164.9 | -179.4 | -4.5 | 105.2 | A209 A213 | A209-R211 PolarHBondContact O-N 2.95Å; R211-A213 PolarHBondContact O-N 3.42Å | ||
| 212 | K | 47.5 | Very low | 49.9 | Very low | 193 Ų | 193 | 129.1 Ų | 129.1 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | -54 | 119.1 | 167 | -73.1 | -167 | 172.6 | -174.9 | 0 | 105.5 | V210 T214 | V210-K212 VanDerWaalsContact C-N 3.28Å; V210-K212 PolarHBondContact O-N 2.76Å; K212-T214 PolarHBondContact O-N 3.2Å; K212-T214 VanDerWaalsContact O-N 3.14Å | ||
| 213 | A | 51.2 | Low | 50.6 | Low | 86 Ų | 86 | 128.5 Ų | 128.5 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -50.8 | 125.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | R211 L215 | R211-A213 PolarHBondContact O-N 3.42Å; A213-L215 VanDerWaalsContact C-N 3.3Å; A213-L215 PolarHBondContact O-N 3.47Å | ||
| 214 | T | 47.4 | Very low | 51 | Low | 140 Ų | 140 | 127.4 Ų | 127.4 | 86% | 0.859 | 70% | 0.699 | S | S | * | * | trans | -66.6 | 95.1 | 179.8 | -40.6 | 0 | 0 | 0 | 0 | 106.7 | K212 N216 | K212-T214 PolarHBondContact O-N 3.2Å; K212-T214 VanDerWaalsContact O-N 3.14Å; T214-N216 PolarHBondContact O-N 3.06Å | ||
| 215 | L | 53.3 | Low | 51 | Low | 124 Ų | 124 | 129 Ų | 129 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | trans | -59.5 | 107.9 | 176.1 | -97.5 | 148 | 0 | 0 | 0 | 107.8 | A213 W217 L234 | A213-L215 VanDerWaalsContact C-N 3.3Å; A213-L215 PolarHBondContact O-N 3.47Å; L215-W217 PolarHBondContact O-N 3.37Å; L215-L234 HydrophobicContact CD2-CD1 4.09Å | ||
| 216 | N | 56.7 | Low | 51.2 | Low | 102 Ų | 102 | 130.2 Ų | 130.2 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | trans | -80.2 | 102.6 | 179.6 | -154.7 | -15 | 0 | 0 | 0 | 107.6 | T214 K218 D219 | T214-N216 PolarHBondContact O-N 3.06Å; N216-K218 PolarHBondContact O-N 3.42Å; N216-D219 PolarHBondContact O-N 3.3Å; N216-D219 VanDerWaalsContact O-N 3.12Å | ||
| 217 | W | 54.1 | Low | 51.7 | Low | 221 Ų | 221 | 124.8 Ų | 124.8 | 84% | 0.837 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -61.9 | -10.3 | -172.9 | -163.2 | -95 | 0 | 0 | 0 | 114.1 | L215 D219 | L215-W217 PolarHBondContact O-N 3.37Å; W217-D219 VanDerWaalsContact C-N 3.28Å; W217-D219 PolarHBondContact O-N 2.98Å |
| 218 | K | 54.1 | Low | 52.1 | Low | 190 Ų | 190 | 129.4 Ų | 129.4 | 83% | 0.826 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -74.7 | -17.9 | 177.3 | -64.7 | -175.4 | 176.8 | -178.6 | 0 | 113.6 | N216 | N216-K218 PolarHBondContact O-N 3.42Š|
| 219 | D | 55.1 | Low | 52.2 | Low | 124 Ų | 124 | 125.8 Ų | 125.8 | 66% | 0.663 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -103.3 | 6.8 | 179.1 | -54.9 | -40.7 | 0 | 0 | 0 | 112.2 | N216 W217 D221 | N216-D219 PolarHBondContact O-N 3.3Å; N216-D219 VanDerWaalsContact O-N 3.12Å; W217-D219 VanDerWaalsContact C-N 3.28Å; W217-D219 PolarHBondContact O-N 2.98Å; D219-D221 PolarHBondContact O-N 3.48Å |
| 220 | A | 52.4 | Low | 52.4 | Low | 60 Ų | 60 | 127.7 Ų | 127.7 | 50% | 0.496 | 66% | 0.664 | S | S | . | * | trans | -78.5 | 99.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 221 | D | 54.3 | Low | 52.5 | Low | 99 Ų | 99 | 131.1 Ų | 131.1 | 53% | 0.529 | 67% | 0.673 | S | S | . | * | trans | -91.2 | 149.1 | 174.5 | -175.2 | 24 | 0 | 0 | 0 | 111.5 | D219 S223 M224 | D219-D221 PolarHBondContact O-N 3.48Å; D221-S223 PolarHBondContact O-N 3Å; D221-S223 VanDerWaalsContact O-N 3.08Å; D221-S223 WeakPolarHBondContact OD2-CB 3.48Å; D221-S223 PolarHBondContact OD2-OG 2.96Å; D221-M224 PolarHBondContact O-N 2.92Å | ||
| 222 | S | 53.7 | Low | 52.4 | Low | 89 Ų | 89 | 127.2 Ų | 127.2 | 62% | 0.622 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -17.6 | 179.2 | -70.3 | 0 | 0 | 0 | 0 | 113.1 | M224 I225 | S222-M224 PolarHBondContact O-N 3.4Å; S222-I225 PolarHBondContact O-N 3.46Å |
| 223 | S | 52.9 | Low | 52.8 | Low | 72 Ų | 72 | 121.4 Ų | 121.4 | 50% | 0.503 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -66.5 | -19.9 | 172.5 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | D221 G227 | D221-S223 PolarHBondContact O-N 3Å; D221-S223 VanDerWaalsContact O-N 3.08Å; D221-S223 WeakPolarHBondContact OD2-CB 3.48Å; D221-S223 PolarHBondContact OD2-OG 2.96Å; S223-G227 WeakPolarHBondContact O-CA 3.29Å; S223-G227 PolarHBondContact O-N 3.37Å; S223-G227 VanDerWaalsContact O-N 3.14Å |
| 224 | M | 52.5 | Low | 53.1 | Low | 119 Ų | 119 | 123.3 Ų | 123.3 | 59% | 0.586 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.7 | -16.9 | 178.3 | -67.4 | -154.1 | 168.9 | 0 | 0 | 114.5 | D221 S222 | D221-M224 PolarHBondContact O-N 2.92Å; S222-M224 PolarHBondContact O-N 3.4Å |
| 225 | I | 53.8 | Low | 53.7 | Low | 73 Ų | 73 | 119 Ų | 119 | 37% | 0.374 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -96 | -32.9 | -178.4 | -59.5 | -178 | 0 | 0 | 0 | 111.2 | S222 | S222-I225 PolarHBondContact O-N 3.46Å |
| 226 | F | 50.4 | Low | 54.5 | Low | 154 Ų | 154 | 116.9 Ų | 116.9 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -112.1 | 3.6 | -175.1 | -58.9 | -75.8 | 0 | 0 | 0 | 114.1 | L247 | F226-L247 HydrophobicContact CZ-CD1 4.14Å |
| 227 | G | 54.6 | Low | 55 | Low | 39 Ų | 39 | 117.9 Ų | 117.9 | 40% | 0.402 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -74.8 | 156.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S223 | S223-G227 WeakPolarHBondContact O-CA 3.29Å; S223-G227 PolarHBondContact O-N 3.37Å; S223-G227 VanDerWaalsContact O-N 3.14Å |
| 228 | K | 51.4 | Low | 55.9 | Low | 212 Ų | 212 | 109.8 Ų | 109.8 | 92% | 0.922 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -73 | 133.4 | 176.5 | -156.9 | 172.9 | -175.5 | 177.3 | 0 | 109.9 | ||
| 229 | V | 48 | Very low | 56.9 | Low | 98 Ų | 98 | 105.1 Ų | 105.1 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 131.9 | -170.4 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 230 | N | 52.9 | Low | 57.9 | Low | 130 Ų | 130 | 104.1 Ų | 104.1 | 70% | 0.695 | 58% | 0.577 | S | S | * | * | trans | -134 | 153.6 | 163.4 | -135.9 | 11.8 | 0 | 0 | 0 | 109 | D232 S233 | N230-D232 PolarHBondContact O-N 3.42Å; N230-S233 PolarHBondContact O-N 3.16Å; N230-S233 VanDerWaalsContact O-N 3.11Å | ||
| 231 | E | 53.7 | Low | 58.8 | Low | 195 Ų | 195 | 108 Ų | 108 | 91% | 0.911 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -3.4 | -169.2 | -76.5 | -121 | 132.9 | 0 | 0 | 116.4 | ||
| 232 | D | 50.7 | Low | 59.8 | Low | 151 Ų | 151 | 106 Ų | 106 | 81% | 0.807 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 16.2 | 175.7 | -66.6 | -40.2 | 0 | 0 | 0 | 113.3 | N230 L234 | N230-D232 PolarHBondContact O-N 3.42Å; D232-L234 PolarHBondContact O-N 2.91Å |
| 233 | S | 56.1 | Low | 60.6 | Low | 72 Ų | 72 | 104.6 Ų | 104.6 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | trans | -70.6 | 121 | -178.2 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | N230 V235 | N230-S233 PolarHBondContact O-N 3.16Å; N230-S233 VanDerWaalsContact O-N 3.11Å; S233-V235 PolarHBondContact O-N 2.97Å | ||
| 234 | L | 57.5 | Low | 61.3 | Low | 125 Ų | 125 | 104.9 Ų | 104.9 | 65% | 0.654 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -77.4 | -3.6 | -177.2 | -66 | 171.8 | 0 | 0 | 0 | 114.3 | L215 D232 | L215-L234 HydrophobicContact CD2-CD1 4.09Å; D232-L234 PolarHBondContact O-N 2.91Å |
| 235 | V | 60.4 | Low | 62.2 | Low | 51 Ų | 51 | 102.3 Ų | 102.3 | 31% | 0.309 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -107.5 | 121.6 | -178.5 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | S233 L239 R240 | S233-V235 PolarHBondContact O-N 2.97Å; V235-L239 HydrophobicContact CG1-CB 4.3Å; V235-L239 HydrophobicContact CG1-CD2 4.11Å; V235-L239 HydrophobicContact CG1-CG 4.28Å; V235-R240 HydrophobicContact CG1-CB 4.49Å |
| 236 | S | 69.9 | Low | 63.1 | Low | 78 Ų | 78 | 106.5 Ų | 106.5 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | trans | -69 | 148.3 | 179.9 | 63.4 | 0 | 0 | 0 | 0 | 111.9 | G238 L239 R240 | S236-G238 PolarHBondContact O-N 3.47Å; S236-L239 PolarHBondContact O-N 2.92Å; S236-R240 PolarHBondContact O-N 3.03Å; S236-R240 VanDerWaalsContact O-N 3.1Å | ||
| 237 | E | 65.7 | Low | 64.1 | Low | 124 Ų | 124 | 103.1 Ų | 103.1 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -50.4 | -44.7 | 177.7 | -154.5 | 90.5 | -130.5 | 0 | 0 | 111.7 | L239 R240 E241 | E237-L239 PolarHBondContact O-N 3.38Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 3.08Å; E237-R240 IonicContact OE1-NH1 3.37Å; E237-R240 PolarHBondContact OE1-NH1 3.33Å; E237-E241 PolarHBondContact O-N 2.64Å |
| 238 | G | 74.4 | Confident | 64.8 | Low | 51 Ų | 51 | 109.8 Ų | 109.8 | 53% | 0.526 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.1 | -34.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S236 A242 | S236-G238 PolarHBondContact O-N 3.47Å; G238-A242 WeakPolarHBondContact O-CB 3.25Å; G238-A242 PolarHBondContact O-N 3.05Å; G238-A242 VanDerWaalsContact O-N 3.11Å |
| 239 | L | 74.4 | Confident | 65.5 | Low | 92 Ų | 92 | 107 Ų | 107 | 48% | 0.482 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.9 | -38.4 | 174.6 | -180 | 58.8 | 0 | 0 | 0 | 110.7 | V235 S236 E237 A242 I243 | V235-L239 HydrophobicContact CG1-CB 4.3Å; V235-L239 HydrophobicContact CG1-CD2 4.11Å; V235-L239 HydrophobicContact CG1-CG 4.28Å; S236-L239 PolarHBondContact O-N 2.92Å; E237-L239 PolarHBondContact O-N 3.38Å; L239-A242 PolarHBondContact O-N 3.01Å; L239-I243 HydrophobicContact CD1-CD1 4.18Å; L239-I243 HydrophobicContact CD1-CG1 4.47Å; L239-I243 HydrophobicContact CG-CD1 4.06Å; L239-I243 VanDerWaalsContact O-CG1 3.29Å; L239-I243 WeakPolarHBondContact O-CG1 3.32Å; L239-I243 PolarHBondContact O-N 3.1Å |
| 240 | R | 75.2 | Confident | 66.4 | Low | 103 Ų | 103 | 105.8 Ų | 105.8 | 39% | 0.389 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.2 | -42.8 | 177.3 | -177.3 | 172.2 | 164.6 | -117.9 | -2.7 | 111.9 | V235 S236 E237 A242 I243 S244 | V235-R240 HydrophobicContact CG1-CB 4.49Å; S236-R240 PolarHBondContact O-N 3.03Å; S236-R240 VanDerWaalsContact O-N 3.1Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 3.08Å; E237-R240 IonicContact OE1-NH1 3.37Å; E237-R240 PolarHBondContact OE1-NH1 3.33Å; R240-A242 VanDerWaalsContact C-N 3.35Å; R240-I243 PolarHBondContact O-N 3.19Å; R240-S244 WeakPolarHBondContact O-CB 3.44Å; R240-S244 PolarHBondContact O-N 3.46Å |
| 241 | E | 71.7 | Confident | 66.7 | Low | 140 Ų | 140 | 102 Ų | 102 | 65% | 0.654 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.4 | -40.6 | 175 | -73.5 | -154.5 | 149.6 | 0 | 0 | 112.3 | E237 I243 S244 S245 | E237-E241 PolarHBondContact O-N 2.64Å; E241-I243 PolarHBondContact O-N 2.89Å; E241-S244 PolarHBondContact O-N 3.31Å; E241-S245 VanDerWaalsContact O-CB 3.32Å; E241-S245 WeakPolarHBondContact O-CB 3.43Å; E241-S245 PolarHBondContact O-N 3.23Å |
| 242 | A | 75.3 | Confident | 66.7 | Low | 59 Ų | 59 | 100.7 Ų | 100.7 | 49% | 0.488 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.1 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G238 L239 R240 Y246 | G238-A242 WeakPolarHBondContact O-CB 3.25Å; G238-A242 PolarHBondContact O-N 3.05Å; G238-A242 VanDerWaalsContact O-N 3.11Å; L239-A242 PolarHBondContact O-N 3.01Å; R240-A242 VanDerWaalsContact C-N 3.35Å; A242-Y246 WeakPolarHBondContact O-CB 3.45Å; A242-Y246 PolarHBondContact O-N 3.33Å |
| 243 | I | 70.4 | Confident | 66.5 | Low | 58 Ų | 58 | 99.3 Ų | 99.3 | 30% | 0.297 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.9 | -42.4 | 177.2 | -66.6 | 165.7 | 0 | 0 | 0 | 110.9 | L239 R240 E241 Y246 L247 | L239-I243 HydrophobicContact CD1-CD1 4.18Å; L239-I243 HydrophobicContact CD1-CG1 4.47Å; L239-I243 HydrophobicContact CG-CD1 4.06Å; L239-I243 VanDerWaalsContact O-CG1 3.29Å; L239-I243 WeakPolarHBondContact O-CG1 3.32Å; L239-I243 PolarHBondContact O-N 3.1Å; R240-I243 PolarHBondContact O-N 3.19Å; E241-I243 PolarHBondContact O-N 2.89Å; I243-Y246 PolarHBondContact O-N 2.92Å; I243-L247 HydrophobicContact CG2-CD1 4.06Å; I243-L247 WeakPolarHBondContact O-CG 3.38Å; I243-L247 PolarHBondContact O-N 3.11Å |
| 244 | S | 68.1 | Low | 66.1 | Low | 79 Ų | 79 | 101.5 Ų | 101.5 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.6 | -45.3 | 177.4 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | R240 E241 Y246 L247 F248 | R240-S244 WeakPolarHBondContact O-CB 3.44Å; R240-S244 PolarHBondContact O-N 3.46Å; E241-S244 PolarHBondContact O-N 3.31Å; S244-Y246 PolarHBondContact O-N 2.98Å; S244-L247 PolarHBondContact O-N 3.14Å; S244-F248 WeakPolarHBondContact O-CB 3.44Å; S244-F248 PolarHBondContact O-N 2.86Å |
| 245 | S | 70.8 | Confident | 65.3 | Low | 64 Ų | 64 | 104.9 Ų | 104.9 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.6 | -45.4 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | E241 F248 M249 | E241-S245 VanDerWaalsContact O-CB 3.32Å; E241-S245 WeakPolarHBondContact O-CB 3.43Å; E241-S245 PolarHBondContact O-N 3.23Å; S245-F248 PolarHBondContact O-N 3.28Å; S245-M249 WeakPolarHBondContact O-CG 3.42Å; S245-M249 PolarHBondContact O-N 2.97Å |
| 246 | Y | 73 | Confident | 64.1 | Low | 161 Ų | 161 | 112.1 Ų | 112.1 | 63% | 0.631 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.3 | -47.8 | 178.2 | -175 | -95.8 | 0 | 0 | 0 | 112.1 | A242 I243 S244 F248 M249 T250 | A242-Y246 WeakPolarHBondContact O-CB 3.45Å; A242-Y246 PolarHBondContact O-N 3.33Å; I243-Y246 PolarHBondContact O-N 2.92Å; S244-Y246 PolarHBondContact O-N 2.98Å; Y246-F248 VanDerWaalsContact C-N 3.33Å; Y246-F248 PolarHBondContact O-N 3.35Å; Y246-M249 PolarHBondContact O-N 3.01Å; Y246-M249 VanDerWaalsContact O-N 3.16Å; Y246-T250 HydrophobicContact CD1-CG2 4.27Å; Y246-T250 HydrophobicContact CE1-CG2 3.85Å; Y246-T250 HydrophobicContact CE2-CG2 4.13Å; Y246-T250 WeakPolarHBondContact O-CG2 3.44Å; Y246-T250 PolarHBondContact O-N 2.93Å; Y246-T250 PolarHBondContact O-OG1 3.17Å |
| 247 | L | 72 | Confident | 62.6 | Low | 83 Ų | 83 | 119.5 Ų | 119.5 | 44% | 0.435 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.7 | -39.5 | 178.6 | -75 | 169.9 | 0 | 0 | 0 | 112.2 | F226 I243 S244 M249 T250 G251 | F226-L247 HydrophobicContact CZ-CD1 4.14Å; I243-L247 HydrophobicContact CG2-CD1 4.06Å; I243-L247 WeakPolarHBondContact O-CG 3.38Å; I243-L247 PolarHBondContact O-N 3.11Å; S244-L247 PolarHBondContact O-N 3.14Å; L247-M249 VanDerWaalsContact C-N 3.34Å; L247-T250 PolarHBondContact O-N 3.11Å; L247-T250 PolarHBondContact O-OG1 2.96Å; L247-G251 VanDerWaalsContact O-CA 3.25Å; L247-G251 WeakPolarHBondContact O-CA 3.32Å; L247-G251 PolarHBondContact O-N 3.37Å |
| 248 | F | 69.6 | Low | 61.2 | Low | 179 Ų | 179 | 121 Ų | 121 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.8 | -40.8 | 174.5 | -174.5 | -98.1 | 0 | 0 | 0 | 111.8 | S244 S245 Y246 | S244-F248 WeakPolarHBondContact O-CB 3.44Å; S244-F248 PolarHBondContact O-N 2.86Å; S245-F248 PolarHBondContact O-N 3.28Å; Y246-F248 VanDerWaalsContact C-N 3.33Å; Y246-F248 PolarHBondContact O-N 3.35Å |
| 249 | M | 64.9 | Low | 59.7 | Low | 153 Ų | 153 | 127.9 Ų | 127.9 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -71.3 | -31 | 177.9 | -71.6 | -170.9 | 70.7 | 0 | 0 | 113.5 | S245 Y246 L247 | S245-M249 WeakPolarHBondContact O-CG 3.42Å; S245-M249 PolarHBondContact O-N 2.97Å; Y246-M249 PolarHBondContact O-N 3.01Å; Y246-M249 VanDerWaalsContact O-N 3.16Å; L247-M249 VanDerWaalsContact C-N 3.34Å |
| 250 | T | 67.7 | Low | 59 | Low | 74 Ų | 74 | 129.7 Ų | 129.7 | 45% | 0.454 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -94.6 | -0.2 | 179 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | Y246 L247 | Y246-T250 HydrophobicContact CD1-CG2 4.27Å; Y246-T250 HydrophobicContact CE1-CG2 3.85Å; Y246-T250 HydrophobicContact CE2-CG2 4.13Å; Y246-T250 WeakPolarHBondContact O-CG2 3.44Å; Y246-T250 PolarHBondContact O-N 2.93Å; Y246-T250 PolarHBondContact O-OG1 3.17Å; L247-T250 PolarHBondContact O-N 3.11Å; L247-T250 PolarHBondContact O-OG1 2.96Å |
| 251 | G | 59.7 | Low | 58.1 | Low | 51 Ų | 51 | 131.1 Ų | 131.1 | 53% | 0.526 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -89.6 | 6.3 | -163.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | L247 | L247-G251 VanDerWaalsContact O-CA 3.25Å; L247-G251 WeakPolarHBondContact O-CA 3.32Å; L247-G251 PolarHBondContact O-N 3.37Å |
| 252 | D | 52.5 | Low | 57.4 | Low | 167 Ų | 167 | 130.6 Ų | 130.6 | 89% | 0.893 | 71% | 0.711 | S | S | * | * | trans | -140.8 | 81.4 | 173.2 | -97.8 | -33.6 | 0 | 0 | 0 | 111.5 | ||||
| 253 | C | 47.6 | Very low | 56.3 | Low | 122 Ų | 122 | 134.8 Ų | 134.8 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -143.4 | 68.1 | 158.2 | -155.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 254 | S | 47.2 | Very low | 55.4 | Low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -152.5 | 58.6 | 163.4 | -79.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 255 | Q | 40.4 | Very low | 54.6 | Low | 196 Ų | 196 | 143.7 Ų | 143.7 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -87.9 | 95.6 | 151.1 | -83 | -169.3 | -21.5 | 0 | 0 | 108.2 | W257 | Q255-W257 PolarHBondContact O-N 3.48Š| ||
| 256 | K | 34.6 | Very low | 53.4 | Low | 203 Ų | 203 | 149.4 Ų | 149.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -62.7 | 124.6 | 166.2 | -94.3 | 175.4 | 169.7 | 174 | 0 | 109.2 | ||||
| 257 | W | 38.6 | Very low | 51.9 | Low | 234 Ų | 234 | 148.5 Ų | 148.5 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | trans | -67.2 | 130.5 | 151.3 | -73.8 | 43.9 | 0 | 0 | 0 | 107.7 | Q255 | Q255-W257 PolarHBondContact O-N 3.48Š| ||
| 258 | D | 37.5 | Very low | 50.2 | Low | 154 Ų | 154 | 153.9 Ų | 153.9 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | 179 | 131.8 | 125.7 | -89.2 | -22.3 | 0 | 0 | 0 | 112.4 | |||||
| 259 | S | 42.5 | Very low | 48.5 | Very low | 197 Ų | 197 | 151.6 Ų | 151.6 | 100% | 1.378 | 83% | 0.832 | S | S | * | * | trans | 72.3 | 0 | 164.9 | -55.6 | 0 | 0 | 0 | 0 | 119.2 |
Retrieved 259 of 259 residues in 233.4 ms
(Link to these results)