| 1 | M | 56.8 | Low | 66.7 | Low | 246 Ų | 246 | 147.7 Ų | 147.7 | 100% | 1.212 | 82% | 0.819 | S | S | * | * | | | | 0 | 119.5 | 0 | -168.1 | 158.3 | -176.9 | 0 | 0 | 107.2 | | |
| 2 | A | 67.3 | Low | 66.9 | Low | 95 Ų | 95 | 153.2 Ų | 153.2 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | -81.2 | 128.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | E4 | A2-E4 PolarHBondContact O-N 3.47Š|
| 3 | A | 69.2 | Low | 67.4 | Low | 93 Ų | 93 | 155.9 Ų | 155.9 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -73.4 | 123.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | I5 | A3-I5 PolarHBondContact O-N 3.13Å; A3-I5 VanDerWaalsContact O-N 3.13Å |
| 4 | E | 67.6 | Low | 67.8 | Low | 189 Ų | 189 | 154.1 Ų | 154.1 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | -66.7 | 109.3 | 176.7 | -61.5 | -178.4 | 119.1 | 0 | 0 | 109.1 | A2 Q6 | A2-E4 PolarHBondContact O-N 3.47Å; E4-Q6 PolarHBondContact O-N 3.05Å |
| 5 | I | 69.9 | Low | 68.4 | Low | 159 Ų | 159 | 153.3 Ų | 153.3 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | | | trans | -74.1 | 99.4 | 177.1 | -58.2 | 170.5 | 0 | 0 | 0 | 106.9 | A3 P7 | A3-I5 PolarHBondContact O-N 3.13Å; A3-I5 VanDerWaalsContact O-N 3.13Å; I5-P7 VanDerWaalsContact O-CD 3.23Å; I5-P7 WeakPolarHBondContact O-CD 3.23Å |
| 6 | Q | 71.5 | Confident | 68.9 | Low | 170 Ų | 170 | 151.3 Ų | 151.3 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | -65 | 115.9 | 169.4 | -65.5 | -175.1 | 25.5 | 0 | 0 | 108.2 | E4 K8 | E4-Q6 PolarHBondContact O-N 3.05Å; Q6-K8 PolarHBondContact O-N 2.91Å |
| 7 | P | 66.5 | Low | 69.3 | Low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | -66.9 | 101.9 | 178.4 | 26.5 | -31.1 | 0 | 0 | 0 | 107.9 | I5 P9 | I5-P7 VanDerWaalsContact O-CD 3.23Å; I5-P7 WeakPolarHBondContact O-CD 3.23Å; P7-P9 WeakPolarHBondContact O-CD 3.32Å |
| 8 | K | 70.9 | Confident | 69.6 | Low | 185 Ų | 185 | 151.9 Ų | 151.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -60.9 | 120.9 | 170.2 | -77.5 | 176.9 | 177.3 | 173.4 | 0 | 107 | Q6 L10 | Q6-K8 PolarHBondContact O-N 2.91Å; K8-L10 PolarHBondContact O-N 2.89Å |
| 9 | P | 66 | Low | 69.8 | Low | 109 Ų | 109 | 154.4 Ų | 154.4 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | | | trans | -60.6 | 110.8 | 174.1 | 21.9 | -28.6 | 0 | 0 | 0 | 107.3 | P7 T11 | P7-P9 WeakPolarHBondContact O-CD 3.32Å; P9-T11 HydrophobicContact CB-CG2 4.41Å; P9-T11 PolarHBondContact O-N 2.81Å |
| 10 | L | 68 | Low | 70 | Confident | 143 Ų | 143 | 151.1 Ų | 151.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | trans | -68.4 | 83.7 | 170.8 | -72 | 170.4 | 0 | 0 | 0 | 106.6 | K8 R12 | K8-L10 PolarHBondContact O-N 2.89Å; L10-R12 PolarHBondContact O-N 2.76Å |
| 11 | T | 59.7 | Low | 70.1 | Confident | 118 Ų | 118 | 152.4 Ų | 152.4 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | trans | -71.3 | 70.6 | 173.5 | 57.3 | 0 | 0 | 0 | 0 | 108.4 | P9 K13 | P9-T11 HydrophobicContact CB-CG2 4.41Å; P9-T11 PolarHBondContact O-N 2.81Å; T11-K13 VanDerWaalsContact C-N 3.35Å; T11-K13 PolarHBondContact O-N 3.25Å |
| 12 | R | 69.8 | Low | 70.8 | Confident | 213 Ų | 213 | 144.2 Ų | 144.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -67.3 | 99.4 | 168.8 | -71.2 | -175.6 | 172.7 | 173 | -1.7 | 106 | L10 P14 | L10-R12 PolarHBondContact O-N 2.76Å; R12-P14 WeakPolarHBondContact O-CD 3.49Å |
| 13 | K | 73.4 | Confident | 71 | Confident | 189 Ų | 189 | 142 Ų | 142 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 123.9 | 173.4 | -71.7 | -176.3 | 177.8 | 179.5 | 0 | 107.2 | T11 I15 | T11-K13 VanDerWaalsContact C-N 3.35Å; T11-K13 PolarHBondContact O-N 3.25Å; K13-I15 PolarHBondContact O-N 2.98Å |
| 14 | P | 72 | Confident | 71.1 | Confident | 131 Ų | 131 | 147.6 Ų | 147.6 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 127.4 | 174.8 | 25.4 | -32 | 0 | 0 | 0 | 108 | R12 | R12-P14 WeakPolarHBondContact O-CD 3.49Š|
| 15 | I | 77.5 | Confident | 71.5 | Confident | 141 Ų | 141 | 143.1 Ų | 143.1 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -100 | 131.1 | 172.4 | -151 | 166 | 0 | 0 | 0 | 107.4 | K13 L17 | K13-I15 PolarHBondContact O-N 2.98Å; I15-L17 HydrophobicContact CG2-CD2 3.66Å; I15-L17 HydrophobicContact CG2-CG 4.17Å; I15-L17 PolarHBondContact O-N 3.2Å |
| 16 | L | 76.2 | Confident | 71.9 | Confident | 122 Ų | 122 | 141.1 Ų | 141.1 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | | | trans | -75.4 | 108.2 | 174.8 | -176.6 | 128.7 | 0 | 0 | 0 | 107.8 | R19 | L16-R19 HydrophobicContact CD1-CG 4.36Å; L16-R19 HydrophobicContact CD2-CG 3.66Å |
| 17 | L | 76.4 | Confident | 72.4 | Confident | 161 Ų | 161 | 136.1 Ų | 136.1 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | | | trans | -77.4 | -45 | -179.9 | -64.8 | 174.8 | 0 | 0 | 0 | 111.4 | I15 | I15-L17 HydrophobicContact CG2-CD2 3.66Å; I15-L17 HydrophobicContact CG2-CG 4.17Å; I15-L17 PolarHBondContact O-N 3.2Å |
| 18 | Q | 73.9 | Confident | 73.1 | Confident | 153 Ų | 153 | 134.8 Ų | 134.8 | 72% | 0.715 | 69% | 0.691 | S | S | * | * | | | trans | -149.3 | 145.6 | -177.6 | -173.6 | 162.3 | -77.7 | 0 | 0 | 110.1 | | |
| 19 | R | 72.9 | Confident | 73.7 | Confident | 199 Ų | 199 | 131.5 Ų | 131.5 | 75% | 0.751 | 68% | 0.68 | S | S | * | * | | | trans | -92.3 | 133.7 | 166.9 | -64.9 | -168.5 | 177.8 | 178.7 | -0.9 | 108.5 | L16 | L16-R19 HydrophobicContact CD1-CG 4.36Å; L16-R19 HydrophobicContact CD2-CG 3.66Å |
| 20 | M | 74.3 | Confident | 74.5 | Confident | 88 Ų | 88 | 129.3 Ų | 129.3 | 43% | 0.433 | 67% | 0.671 | S | S | . | * | | | trans | -97.4 | 125.8 | 177.2 | -47.4 | -174.6 | 81.1 | 0 | 0 | 108 | V39 L61 | M20-V39 HydrophobicContact SD-CG2 4.31Å; M20-V39 HydrophobicContact SD-CG1 4.17Å; M20-V39 HydrophobicContact CE-CG2 4.12Å; M20-V39 HydrophobicContact CE-CB 3.84Å; M20-V39 HydrophobicContact SD-CB 4.09Å; M20-L61 HydrophobicContact CB-CD1 4.23Å; M20-L61 HydrophobicContact CE-CB 3.37Å; M20-L61 HydrophobicContact CE-CD1 3.99Å; M20-L61 HydrophobicContact CE-CG 4.31Å; M20-L61 HydrophobicContact SD-CD1 4.25Å |
| 21 | E | 72.9 | Confident | 75.3 | Confident | 179 Ų | 179 | 126 Ų | 126 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | | | trans | -112.8 | 138.2 | 177.3 | -62.8 | -179.1 | -176.1 | 0 | 0 | 108.3 | | |
| 22 | G | 70.8 | Confident | 76.6 | Confident | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 65% | 0.654 | S | S | * | * | | | trans | 141.8 | -11.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 23 | S | 70.6 | Confident | 77.3 | Confident | 50 Ų | 50 | 118 Ų | 118 | 35% | 0.35 | 63% | 0.625 | S | S | . | * | | | trans | -109.6 | 127 | 169.4 | -174 | 0 | 0 | 0 | 0 | 110.6 | E25 | S23-E25 VanDerWaalsContact C-N 3.25Å; S23-E25 PolarHBondContact OG-N 3Å |
| 24 | Q | 72.1 | Confident | 77.7 | Confident | 210 Ų | 210 | 114 Ų | 114 | 98% | 0.981 | 62% | 0.619 | S | S | * | * | | | trans | -86.5 | -0.5 | 172.6 | -64.9 | -172.3 | 92.5 | 0 | 0 | 112 | | |
| 25 | E | 75.4 | Confident | 78.4 | Confident | 95 Ų | 95 | 118.3 Ų | 118.3 | 44% | 0.444 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -102.6 | 155.9 | -176.2 | -66.4 | 160 | -168.8 | 0 | 0 | 110.9 | S23 V27 S43 | S23-E25 VanDerWaalsContact C-N 3.25Å; S23-E25 PolarHBondContact OG-N 3Å; E25-V27 PolarHBondContact O-N 3.41Å; E25-S43 WeakPolarHBondContact OE2-CB 3.34Å; E25-S43 PolarHBondContact OE2-OG 3.45Å |
| 26 | V | 80 | Confident | 78.6 | Confident | 116 Ų | 116 | 117.7 Ų | 117.7 | 70% | 0.703 | 62% | 0.618 | S | S | * | * | | | trans | -68.4 | 119.6 | 171.3 | 178 | 0 | 0 | 0 | 0 | 108.1 | N28 S43 | V26-N28 PolarHBondContact O-N 3.19Å; V26-N28 PolarHBondContact O-OD1 2.91Å; V26-S43 WeakPolarHBondContact O-CB 3.25Å |
| 27 | V | 80.7 | Confident | 78.7 | Confident | 66 Ų | 66 | 121.4 Ų | 121.4 | 40% | 0.4 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.9 | 113.1 | 175.2 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | E25 M29 | E25-V27 PolarHBondContact O-N 3.41Å; V27-M29 VanDerWaalsContact CG1-O 3.25Å; V27-M29 WeakPolarHBondContact CG1-O 3.4Å |
| 28 | N | 82.4 | Confident | 78.6 | Confident | 90 Ų | 90 | 114.3 Ų | 114.3 | 48% | 0.481 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | -32.2 | 179.2 | -62.3 | 73.5 | 0 | 0 | 0 | 111.6 | V26 V42 E44 | V26-N28 PolarHBondContact O-N 3.19Å; V26-N28 PolarHBondContact O-OD1 2.91Å; N28-V42 PolarHBondContact N-O 3.18Å; N28-E44 PolarHBondContact ND2-OE1 3.26Å; N28-E44 PolarHBondContact OD1-N 3.48Å |
| 29 | M | 82.8 | Confident | 79 | Confident | 115 Ų | 115 | 108.6 Ų | 108.6 | 57% | 0.567 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -149.4 | 148 | -175.8 | -169.2 | -175 | -47.2 | 0 | 0 | 111.1 | V27 V31 V42 | V27-M29 VanDerWaalsContact CG1-O 3.25Å; V27-M29 WeakPolarHBondContact CG1-O 3.4Å; M29-V31 HydrophobicContact SD-CG2 4.47Å; M29-V42 HydrophobicContact CB-CB 4.13Å; M29-V42 PolarHBondContact N-O 2.81Å; M29-V42 PolarHBondContact O-N 3.24Å |
| 30 | A | 83.4 | Confident | 79.6 | Confident | 64 Ų | 64 | 101.5 Ų | 101.5 | 53% | 0.529 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V39 I40 | A30-V39 HydrophobicContact CB-CG1 3.92Å; A30-I40 VanDerWaalsContact CA-O 3.25Å; A30-I40 WeakPolarHBondContact CA-O 3.25Å; A30-I40 CarbonylContact C-O 3.57Å |
| 31 | V | 85.1 | Confident | 79.9 | Confident | 74 Ų | 74 | 97.6 Ų | 97.6 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.7 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | M29 I40 | M29-V31 HydrophobicContact SD-CG2 4.47Å; V31-I40 PolarHBondContact N-O 2.94Å; V31-I40 PolarHBondContact O-N 3.16Å |
| 32 | I | 85.6 | Confident | 80.5 | Confident | 130 Ų | 130 | 90.7 Ų | 90.7 | 67% | 0.667 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 124.8 | 173.6 | -59.9 | 165.4 | 0 | 0 | 0 | 107.5 | P34 V39 | I32-P34 WeakPolarHBondContact O-CD 3.32Å; I32-V39 HydrophobicContact CG1-CG2 4.49Å |
| 33 | V | 84.4 | Confident | 80.9 | Confident | 33 Ų | 33 | 87.7 Ų | 87.7 | 20% | 0.2 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 118.9 | 176.5 | -176 | 0 | 0 | 0 | 0 | 108.7 | K35 E36 G38 I40 | V33-K35 PolarHBondContact O-N 3.39Å; V33-E36 VanDerWaalsContact O-O 3.12Å; V33-E36 PolarHBondContact O-N 2.61Å; V33-E36 WeakPolarHBondContact CG1-OE2 3.37Å; V33-E36 HydrophobicContact CG1-CG 4.03Å; V33-E36 HydrophobicContact CG1-CB 4.08Å; V33-E36 HydrophobicContact CB-CB 4.09Å; V33-G38 PolarHBondContact N-O 3.44Å; V33-I40 HydrophobicContact CG2-CD1 3.54Å; V33-I40 HydrophobicContact CG2-CG1 3.92Å |
| 34 | P | 82.5 | Confident | 81.4 | Confident | 104 Ų | 104 | 91.3 Ų | 91.3 | 68% | 0.675 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 136.9 | 179.3 | -20.9 | 32.9 | 0 | 0 | 0 | 110.7 | I32 E36 | I32-P34 WeakPolarHBondContact O-CD 3.32Å; P34-E36 PolarHBondContact O-N 3.11Å |
| 35 | K | 86.3 | Confident | 81.2 | Confident | 222 Ų | 222 | 84.9 Ų | 84.9 | 97% | 0.965 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 6.7 | -179.4 | -46.2 | 171.9 | -179.7 | 176.3 | 0 | 115.1 | V33 | V33-K35 PolarHBondContact O-N 3.39Š|
| 36 | E | 81.9 | Confident | 80.7 | Confident | 127 Ų | 127 | 89.7 Ų | 89.7 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -121.6 | 141.2 | 171.6 | -66.6 | 176.9 | -170.2 | 0 | 0 | 109.1 | V33 P34 G38 | V33-E36 VanDerWaalsContact O-O 3.12Å; V33-E36 PolarHBondContact O-N 2.61Å; V33-E36 WeakPolarHBondContact CG1-OE2 3.37Å; V33-E36 HydrophobicContact CG1-CG 4.03Å; V33-E36 HydrophobicContact CG1-CB 4.08Å; V33-E36 HydrophobicContact CB-CB 4.09Å; P34-E36 PolarHBondContact O-N 3.11Å; E36-G38 PolarHBondContact O-N 3.47Å; E36-G38 VanDerWaalsContact O-N 3.08Å |
| 37 | E | 77.4 | Confident | 79.7 | Confident | 200 Ų | 200 | 86.9 Ų | 86.9 | 94% | 0.935 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -82 | 74.4 | 165.8 | -75.9 | -167.4 | 162.8 | 0 | 0 | 108.3 | | |
| 38 | G | 75.5 | Confident | 78.7 | Confident | 12 Ų | 12 | 91.9 Ų | 91.9 | 12% | 0.124 | 48% | 0.476 | C | S | . | . | | | trans | -154.5 | 146.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V33 E36 | V33-G38 PolarHBondContact N-O 3.44Å; E36-G38 PolarHBondContact O-N 3.47Å; E36-G38 VanDerWaalsContact O-N 3.08Å |
| 39 | V | 82.5 | Confident | 77 | Confident | 34 Ų | 34 | 90 Ų | 90 | 21% | 0.206 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.4 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | M20 A30 I32 L61 | M20-V39 HydrophobicContact SD-CG2 4.31Å; M20-V39 HydrophobicContact SD-CG1 4.17Å; M20-V39 HydrophobicContact CE-CG2 4.12Å; M20-V39 HydrophobicContact CE-CB 3.84Å; M20-V39 HydrophobicContact SD-CB 4.09Å; A30-V39 HydrophobicContact CB-CG1 3.92Å; I32-V39 HydrophobicContact CG1-CG2 4.49Å; V39-L61 PolarHBondContact O-N 3.47Å; V39-L61 VanDerWaalsContact O-N 3.13Å |
| 40 | I | 84.9 | Confident | 75.5 | Confident | 50 Ų | 50 | 93.6 Ų | 93.6 | 26% | 0.256 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 115.5 | 172.7 | -61.3 | 173 | 0 | 0 | 0 | 107.3 | A30 V31 V33 V42 A58 | A30-I40 VanDerWaalsContact CA-O 3.25Å; A30-I40 WeakPolarHBondContact CA-O 3.25Å; A30-I40 CarbonylContact C-O 3.57Å; V31-I40 PolarHBondContact N-O 2.94Å; V31-I40 PolarHBondContact O-N 3.16Å; V33-I40 HydrophobicContact CG2-CD1 3.54Å; V33-I40 HydrophobicContact CG2-CG1 3.92Å; I40-V42 HydrophobicContact CG2-CG2 4.4Å; I40-A58 HydrophobicContact CG2-CB 3.74Å |
| 41 | S | 81.2 | Confident | 73.8 | Confident | 5 Ų | 5 | 99.4 Ų | 99.4 | 4% | 0.035 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 141.1 | 170.7 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | S59 | S41-S59 PolarHBondContact N-O 2.91Å; S41-S59 VanDerWaalsContact OG-O 3.11Å; S41-S59 PolarHBondContact OG-O 3.42Å; S41-S59 VanDerWaalsContact N-O 3.16Å; S41-S59 PolarHBondContact O-N 3.26Å |
| 42 | V | 83.9 | Confident | 71.7 | Confident | 35 Ų | 35 | 100.7 Ų | 100.7 | 21% | 0.212 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 115.4 | 177.8 | -178 | 0 | 0 | 0 | 0 | 108.5 | N28 M29 I40 P56 | N28-V42 PolarHBondContact N-O 3.18Å; M29-V42 HydrophobicContact CB-CB 4.13Å; M29-V42 PolarHBondContact N-O 2.81Å; M29-V42 PolarHBondContact O-N 3.24Å; I40-V42 HydrophobicContact CG2-CG2 4.4Å; V42-P56 HydrophobicContact CG1-CB 4.27Å |
| 43 | S | 81.2 | Confident | 69.7 | Low | 10 Ų | 10 | 103.5 Ų | 103.5 | 7% | 0.07 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 160.3 | 172.1 | 50.1 | 0 | 0 | 0 | 0 | 110.8 | E25 V26 D45 | E25-S43 WeakPolarHBondContact OE2-CB 3.34Å; E25-S43 PolarHBondContact OE2-OG 3.45Å; V26-S43 WeakPolarHBondContact O-CB 3.25Å; S43-D45 PolarHBondContact O-N 3.34Å |
| 44 | E | 79.4 | Confident | 67.8 | Low | 126 Ų | 126 | 111.2 Ų | 111.2 | 59% | 0.589 | 56% | 0.558 | S | S | * | * | | | trans | -70.3 | 121.1 | 168.7 | -75.8 | 167.4 | -168.2 | 0 | 0 | 110.5 | N28 R46 | N28-E44 PolarHBondContact ND2-OE1 3.26Å; N28-E44 PolarHBondContact OD1-N 3.48Å; E44-R46 PolarHBondContact O-N 3.41Å |
| 45 | D | 68.9 | Low | 66.1 | Low | 74 Ų | 74 | 111 Ų | 111 | 40% | 0.396 | 56% | 0.555 | S | S | . | * | | | trans | -66.9 | 124.9 | 176.3 | -171.1 | 3.8 | 0 | 0 | 0 | 110.7 | S43 S47 V57 | S43-D45 PolarHBondContact O-N 3.34Å; D45-S47 VanDerWaalsContact OD1-CB 3.23Å; D45-S47 WeakPolarHBondContact OD1-CB 3.23Å; D45-S47 PolarHBondContact OD1-N 3.13Å; D45-S47 PolarHBondContact OD1-OG 2.9Å; D45-S47 PolarHBondContact OD2-OG 2.69Å; D45-V57 HydrophobicContact CB-CG2 4Å |
| 46 | R | 64.3 | Low | 64.5 | Low | 196 Ų | 196 | 104.5 Ų | 104.5 | 74% | 0.74 | 54% | 0.535 | S | S | * | . | | | trans | -104.9 | 28.4 | 175.9 | -65 | -173.4 | 177.8 | -163.9 | -0.2 | 112.5 | E44 N48 | E44-R46 PolarHBondContact O-N 3.41Å; R46-N48 PolarHBondContact O-N 2.95Å |
| 47 | S | 59.7 | Low | 63.2 | Low | 57 Ų | 57 | 101.3 Ų | 101.3 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | | | trans | -66.2 | 94.1 | 179.1 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | D45 G49 | D45-S47 VanDerWaalsContact OD1-CB 3.23Å; D45-S47 WeakPolarHBondContact OD1-CB 3.23Å; D45-S47 PolarHBondContact OD1-N 3.13Å; D45-S47 PolarHBondContact OD1-OG 2.9Å; D45-S47 PolarHBondContact OD2-OG 2.69Å; S47-G49 PolarHBondContact O-N 3.08Å |
| 48 | N | 58.8 | Low | 62.2 | Low | 171 Ų | 171 | 94.5 Ų | 94.5 | 91% | 0.914 | 50% | 0.503 | S | S | * | . | | | trans | -73.7 | 51.8 | 175.4 | -65.3 | -37.4 | 0 | 0 | 0 | 113.2 | R46 | R46-N48 PolarHBondContact O-N 2.95Š|
| 49 | G | 46.4 | Very low | 61.4 | Low | 50 Ų | 50 | 96.9 Ų | 96.9 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -171.4 | 100.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S47 | S47-G49 PolarHBondContact O-N 3.08Š|
| 50 | K | 52 | Low | 60.3 | Low | 191 Ų | 191 | 101.1 Ų | 101.1 | 83% | 0.83 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 23.2 | 124.1 | 154.6 | -47 | -158.6 | -178.7 | -171 | 0 | 115.6 | | |
| 51 | H | 48.5 | Very low | 59.1 | Low | 187 Ų | 187 | 100.4 Ų | 100.4 | 87% | 0.866 | 53% | 0.534 | S | S | * | . | | | trans | 98.4 | 53 | 178.1 | -45.7 | 95.8 | 0 | 0 | 0 | 115.5 | K53 | H51-K53 PolarHBondContact O-N 2.9Š|
| 52 | C | 41 | Very low | 57.9 | Low | 100 Ų | 100 | 111.2 Ų | 111.2 | 68% | 0.676 | 58% | 0.584 | S | S | * | * | | | trans | -82.4 | 112.1 | 168.9 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 53 | K | 42.6 | Very low | 56.6 | Low | 189 Ų | 189 | 115 Ų | 115 | 82% | 0.822 | 60% | 0.603 | S | S | * | * | | | trans | -118.6 | 79.3 | 156.5 | -63.1 | -88.3 | -172.7 | 175.2 | 0 | 106.8 | H51 T55 | H51-K53 PolarHBondContact O-N 2.9Å; K53-T55 PolarHBondContact O-N 3.01Å |
| 54 | H | 45 | Very low | 55.3 | Low | 196 Ų | 196 | 120.5 Ų | 120.5 | 91% | 0.907 | 63% | 0.631 | S | S | * | * | | | trans | 32.6 | 60.4 | 165.6 | -83.8 | -78.3 | 0 | 0 | 0 | 116.9 | P56 | H54-P56 WeakPolarHBondContact O-CD 3.37Š|
| 55 | T | 47.7 | Very low | 54 | Low | 98 Ų | 98 | 120.2 Ų | 120.2 | 60% | 0.601 | 63% | 0.633 | S | S | * | * | | | trans | -101.2 | 103.9 | 168.7 | 46.7 | 0 | 0 | 0 | 0 | 109.1 | K53 V57 | K53-T55 PolarHBondContact O-N 3.01Å; T55-V57 PolarHBondContact O-N 2.84Å |
| 56 | P | 52.6 | Low | 53.1 | Low | 86 Ų | 86 | 122.9 Ų | 122.9 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | | | trans | -60.5 | 127 | 161.3 | 26.1 | -30.9 | 0 | 0 | 0 | 107.3 | V42 H54 A58 | V42-P56 HydrophobicContact CG1-CB 4.27Å; H54-P56 WeakPolarHBondContact O-CD 3.37Å; P56-A58 PolarHBondContact O-N 3.3Å |
| 57 | V | 54.4 | Low | 52.4 | Low | 61 Ų | 61 | 118.4 Ų | 118.4 | 37% | 0.37 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 86 | 175.9 | -165.1 | 0 | 0 | 0 | 0 | 106.7 | D45 T55 S59 | D45-V57 HydrophobicContact CB-CG2 4Å; T55-V57 PolarHBondContact O-N 2.84Å; V57-S59 PolarHBondContact O-N 3.3Å |
| 58 | A | 55.3 | Low | 51.9 | Low | 57 Ų | 57 | 122.5 Ų | 122.5 | 47% | 0.471 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 99.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | I40 P56 | I40-A58 HydrophobicContact CG2-CB 3.74Å; P56-A58 PolarHBondContact O-N 3.3Å |
| 59 | S | 59.4 | Low | 51.5 | Low | 62 Ų | 62 | 119 Ų | 119 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.2 | 169.9 | -65.2 | 0 | 0 | 0 | 0 | 109.1 | S41 V57 L61 | S41-S59 PolarHBondContact N-O 2.91Å; S41-S59 VanDerWaalsContact OG-O 3.11Å; S41-S59 PolarHBondContact OG-O 3.42Å; S41-S59 VanDerWaalsContact N-O 3.16Å; S41-S59 PolarHBondContact O-N 3.26Å; V57-S59 PolarHBondContact O-N 3.3Å; S59-L61 PolarHBondContact O-N 3.04Å |
| 60 | I | 59.1 | Low | 51.8 | Low | 122 Ų | 122 | 124.3 Ų | 124.3 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.1 | 112 | 169.3 | -60 | 170.9 | 0 | 0 | 0 | 106.4 | Q62 | I60-Q62 HydrophobicContact CG2-CG 4.26Å |
| 61 | L | 60.4 | Low | 51.8 | Low | 35 Ų | 35 | 118.8 Ų | 118.8 | 18% | 0.183 | 63% | 0.633 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 115.2 | 169.7 | -70 | 161.3 | 0 | 0 | 0 | 106.6 | M20 V39 S59 | M20-L61 HydrophobicContact CB-CD1 4.23Å; M20-L61 HydrophobicContact CE-CB 3.37Å; M20-L61 HydrophobicContact CE-CD1 3.99Å; M20-L61 HydrophobicContact CE-CG 4.31Å; M20-L61 HydrophobicContact SD-CD1 4.25Å; V39-L61 PolarHBondContact O-N 3.47Å; V39-L61 VanDerWaalsContact O-N 3.13Å; S59-L61 PolarHBondContact O-N 3.04Å |
| 62 | Q | 56.1 | Low | 52.1 | Low | 232 Ų | 232 | 112.5 Ų | 112.5 | 100% | 1.084 | 61% | 0.612 | S | S | * | * | | | trans | -87.2 | 0 | 172.3 | -61.1 | -173.4 | -84.7 | 0 | 0 | 110 | I60 | I60-Q62 HydrophobicContact CG2-CG 4.26Š|