| 1 | M | 30.5 | Very low | 46.1 | Very low | 236 Ų | 236 | 105.5 Ų | 105.5 | 100% | 1.163 | 65% | 0.645 | S | S | * | * | | | | 0 | 102.5 | 0 | -68.2 | 178 | 155.5 | 0 | 0 | 106.5 | A3 | M1-A3 PolarHBondContact O-N 3.31Š|
| 2 | P | 40.3 | Very low | 45.9 | Very low | 127 Ų | 127 | 111.7 Ų | 111.7 | 83% | 0.825 | 65% | 0.648 | S | S | * | * | | | trans | -70.4 | 121.6 | 177.9 | 29.1 | -29.5 | 0 | 0 | 0 | 107.5 | S4 | P2-S4 PolarHBondContact O-N 2.82Å; P2-S4 VanDerWaalsContact O-N 3.08Å |
| 3 | A | 41.8 | Very low | 46.1 | Very low | 91 Ų | 91 | 103.4 Ų | 103.4 | 75% | 0.752 | 60% | 0.601 | S | S | * | * | | | trans | -55.4 | 116.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | M1 G5 | M1-A3 PolarHBondContact O-N 3.31Å; A3-G5 PolarHBondContact O-N 2.92Å |
| 4 | S | 47.4 | Very low | 46.7 | Very low | 123 Ų | 123 | 96.8 Ų | 96.8 | 86% | 0.86 | 56% | 0.564 | S | S | * | * | | | trans | -60.5 | 89.8 | 172.6 | -62.3 | 0 | 0 | 0 | 0 | 108.2 | P2 A6 | P2-S4 PolarHBondContact O-N 2.82Å; P2-S4 VanDerWaalsContact O-N 3.08Å; S4-A6 PolarHBondContact O-N 2.84Å; S4-A6 VanDerWaalsContact O-N 3.15Å |
| 5 | G | 49.9 | Very low | 47.1 | Very low | 47 Ų | 47 | 91.3 Ų | 91.3 | 49% | 0.485 | 53% | 0.531 | S | S | . | . | | | trans | -60 | 116.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | A3 H7 | A3-G5 PolarHBondContact O-N 2.92Å; G5-H7 PolarHBondContact O-N 3.38Å |
| 6 | A | 50.9 | Low | 47.4 | Very low | 57 Ų | 57 | 90.6 Ų | 90.6 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | | | trans | -65.9 | 102.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | S4 V8 | S4-A6 PolarHBondContact O-N 2.84Å; S4-A6 VanDerWaalsContact O-N 3.15Å; A6-V8 PolarHBondContact O-N 3.04Å |
| 7 | H | 49.2 | Very low | 47.3 | Very low | 100 Ų | 100 | 91.9 Ų | 91.9 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | | | trans | -79.3 | 104 | 174.2 | -162.9 | -84.2 | 0 | 0 | 0 | 107.6 | G5 S14 Q16 | G5-H7 PolarHBondContact O-N 3.38Å; H7-S14 VanDerWaalsContact CE1-CB 3.42Å; H7-S14 WeakPolarHBondContact CE1-CB 3.48Å; H7-S14 PolarHBondContact CE1-OG 2.9Å; H7-Q16 PolarHBondContact NE2-NE2 3.31Å |
| 8 | V | 48.9 | Very low | 47.4 | Very low | 62 Ų | 62 | 89.2 Ų | 89.2 | 38% | 0.376 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 110.6 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 107.3 | A6 I15 | A6-V8 PolarHBondContact O-N 3.04Å; V8-I15 PolarHBondContact N-O 2.96Å; V8-I15 PolarHBondContact O-N 2.8Å |
| 9 | F | 47.6 | Very low | 47.4 | Very low | 152 Ų | 152 | 91.8 Ų | 91.8 | 67% | 0.667 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 118.7 | 173.1 | -159.6 | -92.5 | 0 | 0 | 0 | 108.1 | S14 | F9-S14 WeakPolarHBondContact CD2-OG 3.15Å; F9-S14 VanDerWaalsContact CE2-OG 3.23Å; F9-S14 WeakPolarHBondContact CE2-OG 3.28Å |
| 10 | N | 50.4 | Low | 47.5 | Very low | 35 Ų | 35 | 93.2 Ų | 93.2 | 19% | 0.187 | 55% | 0.55 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.4 | 160 | 173.7 | 73.8 | 19 | 0 | 0 | 0 | 109.1 | W12 G13 I15 | N10-W12 PolarHBondContact O-N 3.15Å; N10-W12 PolarHBondContact OD1-N 2.8Å; N10-G13 CarbonylContact C-O 3.57Å; N10-G13 PolarHBondContact N-O 3.08Å; N10-G13 PolarHBondContact O-N 2.88Å; N10-G13 VanDerWaalsContact O-N 3.11Å; N10-G13 PolarHBondContact OD1-N 3.15Å; N10-G13 PolarHBondContact OD1-O 2.88Å; N10-I15 VanDerWaalsContact ND2-CD1 3.34Å; N10-I15 WeakPolarHBondContact ND2-CD1 3.34Å |
| 11 | P | 49.8 | Very low | 47.4 | Very low | 130 Ų | 130 | 90.2 Ų | 90.2 | 84% | 0.844 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -11.8 | -177.4 | 23.1 | -32.6 | 0 | 0 | 0 | 114 | | |
| 12 | W | 44 | Very low | 48.2 | Very low | 180 Ų | 180 | 79.8 Ų | 79.8 | 68% | 0.682 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -4.4 | 177.8 | -64.3 | -27 | 0 | 0 | 0 | 113.8 | N10 | N10-W12 PolarHBondContact O-N 3.15Å; N10-W12 PolarHBondContact OD1-N 2.8Å |
| 13 | G | 49 | Very low | 48.7 | Very low | 4 Ų | 4 | 78.5 Ų | 78.5 | 4% | 0.041 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.1 | -177 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | N10 C25 | N10-G13 CarbonylContact C-O 3.57Å; N10-G13 PolarHBondContact N-O 3.08Å; N10-G13 PolarHBondContact O-N 2.88Å; N10-G13 VanDerWaalsContact O-N 3.11Å; N10-G13 PolarHBondContact OD1-N 3.15Å; N10-G13 PolarHBondContact OD1-O 2.88Å; G13-C25 CarbonylContact C-O 3.58Å; G13-C25 WeakPolarHBondContact CA-O 3.44Å |
| 14 | S | 53.6 | Low | 49.1 | Very low | 11 Ų | 11 | 75.4 Ų | 75.4 | 8% | 0.077 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.8 | 173.7 | -68.9 | 0 | 0 | 0 | 0 | 109.5 | H7 F9 C25 | H7-S14 VanDerWaalsContact CE1-CB 3.42Å; H7-S14 WeakPolarHBondContact CE1-CB 3.48Å; H7-S14 PolarHBondContact CE1-OG 2.9Å; F9-S14 WeakPolarHBondContact CD2-OG 3.15Å; F9-S14 VanDerWaalsContact CE2-OG 3.23Å; F9-S14 WeakPolarHBondContact CE2-OG 3.28Å; S14-C25 PolarHBondContact N-O 3.28Å; S14-C25 WeakPolarHBondContact O-CA 3.25Å; S14-C25 WeakPolarHBondContact O-CB 3.3Å; S14-C25 PolarHBondContact O-N 2.77Å |
| 15 | I | 52.6 | Low | 49.2 | Very low | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.072 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 115.3 | 172.8 | -61.3 | 169.5 | 0 | 0 | 0 | 107.8 | V8 N10 V22 Q24 L77 | V8-I15 PolarHBondContact N-O 2.96Å; V8-I15 PolarHBondContact O-N 2.8Å; N10-I15 VanDerWaalsContact ND2-CD1 3.34Å; N10-I15 WeakPolarHBondContact ND2-CD1 3.34Å; I15-V22 HydrophobicContact CG2-CG1 3.23Å; I15-Q24 HydrophobicContact CG1-CB 4.36Å; I15-Q24 HydrophobicContact CG1-CG 4.05Å; I15-L77 HydrophobicContact CD1-CD1 4.44Å; I15-L77 HydrophobicContact CG2-CD1 4.3Å |
| 16 | Q | 52.2 | Low | 49.1 | Very low | 80 Ų | 80 | 74.9 Ų | 74.9 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.4 | 174.4 | -70.5 | -167.3 | -14 | 0 | 0 | 110 | H7 G18 K23 | H7-Q16 PolarHBondContact NE2-NE2 3.31Å; Q16-G18 PolarHBondContact O-N 3.36Å; Q16-K23 PolarHBondContact N-O 3.41Å; Q16-K23 PolarHBondContact O-N 3.44Å |
| 17 | R | 46.6 | Very low | 49.1 | Very low | 114 Ų | 114 | 77.2 Ų | 77.2 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 95.6 | 173.5 | -142.6 | -179.6 | -70.4 | -112.3 | -0.5 | 108.4 | V22 | R17-V22 HydrophobicContact CG-CG2 3.92Å |
| 18 | G | 48.7 | Very low | 48.8 | Very low | 43 Ų | 43 | 76.6 Ų | 76.6 | 44% | 0.443 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 166.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q16 S20 G21 | Q16-G18 PolarHBondContact O-N 3.36Å; G18-S20 PolarHBondContact O-N 3.37Å; G18-S20 VanDerWaalsContact O-N 3.09Å; G18-G21 WeakPolarHBondContact CA-O 3.42Å; G18-G21 PolarHBondContact N-O 3.45Å; G18-G21 PolarHBondContact O-N 3.17Å |
| 19 | S | 48.2 | Very low | 48.6 | Very low | 138 Ų | 138 | 80.8 Ų | 80.8 | 97% | 0.965 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.5 | 179.2 | -54.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 20 | S | 48.7 | Very low | 48.2 | Very low | 119 Ų | 119 | 81.3 Ų | 81.3 | 83% | 0.832 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | 17.3 | -176.7 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | G18 | G18-S20 PolarHBondContact O-N 3.37Å; G18-S20 VanDerWaalsContact O-N 3.09Å |
| 21 | G | 45.5 | Very low | 47.6 | Very low | 32 Ų | 32 | 82.7 Ų | 82.7 | 33% | 0.33 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.4 | 166.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | G18 | G18-G21 WeakPolarHBondContact CA-O 3.42Å; G18-G21 PolarHBondContact N-O 3.45Å; G18-G21 PolarHBondContact O-N 3.17Å |
| 22 | V | 47.7 | Very low | 46.9 | Very low | 16 Ų | 16 | 79.6 Ų | 79.6 | 10% | 0.097 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.2 | 175.6 | -169.4 | 0 | 0 | 0 | 0 | 108.6 | I15 R17 L77 | I15-V22 HydrophobicContact CG2-CG1 3.23Å; R17-V22 HydrophobicContact CG-CG2 3.92Å; V22-L77 HydrophobicContact CB-CD1 4.25Å; V22-L77 HydrophobicContact CB-CD2 3.86Å; V22-L77 HydrophobicContact CG1-CD1 3.64Å; V22-L77 HydrophobicContact CG1-CD2 3.62Å; V22-L77 HydrophobicContact CG1-CG 4.27Å; V22-L77 HydrophobicContact CG2-CD2 3.79Å |
| 23 | K | 51.1 | Low | 46.5 | Very low | 100 Ų | 100 | 77.3 Ų | 77.3 | 44% | 0.435 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.6 | 176.8 | -62.3 | -177 | -179.1 | -176.5 | 0 | 108.5 | Q16 C68 | Q16-K23 PolarHBondContact N-O 3.41Å; Q16-K23 PolarHBondContact O-N 3.44Å; K23-C68 HydrophobicContact CD-CB 4.43Å |
| 24 | Q | 48.6 | Very low | 46.1 | Very low | 26 Ų | 26 | 88.3 Ų | 88.3 | 12% | 0.121 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 108 | 172.5 | -174.7 | 173.2 | 7.5 | 0 | 0 | 108.5 | I15 R26 F72 | I15-Q24 HydrophobicContact CG1-CB 4.36Å; I15-Q24 HydrophobicContact CG1-CG 4.05Å; Q24-R26 PolarHBondContact O-N 2.79Å; Q24-F72 HydrophobicContact CB-CD2 4.39Å; Q24-F72 HydrophobicContact CB-CE2 4.21Å |
| 25 | C | 49.5 | Very low | 45.2 | Very low | 5 Ų | 5 | 94.4 Ų | 94.4 | 3% | 0.034 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 95.8 | 175 | -49.3 | 0 | 0 | 0 | 0 | 107.2 | G13 S14 H27 E66 | G13-C25 CarbonylContact C-O 3.58Å; G13-C25 WeakPolarHBondContact CA-O 3.44Å; S14-C25 PolarHBondContact N-O 3.28Å; S14-C25 WeakPolarHBondContact O-CA 3.25Å; S14-C25 WeakPolarHBondContact O-CB 3.3Å; S14-C25 PolarHBondContact O-N 2.77Å; C25-H27 PolarHBondContact O-N 3.36Å; C25-E66 HydrophobicContact CB-CG 3.74Å; C25-E66 PolarHBondContact SG-OE1 3.41Å |
| 26 | R | 47.7 | Very low | 44.7 | Very low | 154 Ų | 154 | 103.4 Ų | 103.4 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | | | trans | -68.5 | 119.7 | 173.3 | -174 | 178 | -66.6 | -172.2 | 1.1 | 107.6 | Q24 L28 | Q24-R26 PolarHBondContact O-N 2.79Å; R26-L28 HydrophobicContact CG-CG 4.34Å; R26-L28 PolarHBondContact O-N 3.25Å |
| 27 | H | 52.2 | Low | 44.3 | Very low | 106 Ų | 106 | 104.8 Ų | 104.8 | 49% | 0.491 | 59% | 0.586 | S | S | . | * | | | trans | -72 | 84.6 | 169 | -120.2 | 71.8 | 0 | 0 | 0 | 107 | C25 L29 | C25-H27 PolarHBondContact O-N 3.36Å; H27-L29 PolarHBondContact O-N 2.95Å |
| 28 | L | 42.6 | Very low | 44.1 | Very low | 87 Ų | 87 | 107.5 Ų | 107.5 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | | | trans | -68 | 84.7 | 163.7 | -79.7 | 153.8 | 0 | 0 | 0 | 105.9 | R26 H30 | R26-L28 HydrophobicContact CG-CG 4.34Å; R26-L28 PolarHBondContact O-N 3.25Å; L28-H30 PolarHBondContact O-N 3.32Å |
| 29 | L | 44.6 | Very low | 44 | Very low | 150 Ų | 150 | 112.9 Ų | 112.9 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | | | trans | -61.3 | 85.5 | 157.5 | -67 | 170.6 | 0 | 0 | 0 | 105.1 | H27 G31 | H27-L29 PolarHBondContact O-N 2.95Å; L29-G31 PolarHBondContact O-N 3.05Å |
| 30 | H | 39.9 | Very low | 43.8 | Very low | 163 Ų | 163 | 110.6 Ų | 110.6 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | | | trans | -62 | 85.9 | 159 | -98 | -82.5 | 0 | 0 | 0 | 104.8 | L28 G32 | L28-H30 PolarHBondContact O-N 3.32Å; H30-G32 PolarHBondContact O-N 3.11Å |
| 31 | G | 37.6 | Very low | 43.4 | Very low | 65 Ų | 65 | 109.2 Ų | 109.2 | 67% | 0.67 | 60% | 0.602 | S | S | * | * | | | trans | -58.7 | 92 | 168.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | L29 T33 | L29-G31 PolarHBondContact O-N 3.05Å; G31-T33 VanDerWaalsContact C-N 3.3Å; G31-T33 PolarHBondContact O-N 3.43Å |
| 32 | G | 35.3 | Very low | 43.7 | Very low | 65 Ų | 65 | 115.4 Ų | 115.4 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | | | trans | -57.1 | 102.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | H30 R34 | H30-G32 PolarHBondContact O-N 3.11Å; G32-R34 VanDerWaalsContact C-N 3.25Å; G32-R34 PolarHBondContact O-N 3.04Å |
| 33 | T | 35.1 | Very low | 43.7 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | | | trans | -59.2 | 95.6 | 168.3 | 49.1 | 0 | 0 | 0 | 0 | 106.4 | G31 D35 | G31-T33 VanDerWaalsContact C-N 3.3Å; G31-T33 PolarHBondContact O-N 3.43Å; T33-D35 PolarHBondContact O-N 2.92Å |
| 34 | R | 39.4 | Very low | 43.6 | Very low | 236 Ų | 236 | 122.9 Ų | 122.9 | 89% | 0.891 | 67% | 0.67 | S | S | * | * | | | trans | -83.2 | 39.9 | -174 | -136.4 | -176.9 | 179.5 | 124.9 | -1.6 | 110.7 | G32 | G32-R34 VanDerWaalsContact C-N 3.25Å; G32-R34 PolarHBondContact O-N 3.04Å |
| 35 | D | 36.4 | Very low | 43.3 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | | | trans | -135.9 | 78 | -175.4 | -57.8 | -56.4 | 0 | 0 | 0 | 110.6 | T33 | T33-D35 PolarHBondContact O-N 2.92Š|
| 36 | K | 41.7 | Very low | 43.3 | Very low | 202 Ų | 202 | 135.5 Ų | 135.5 | 88% | 0.878 | 73% | 0.733 | S | S | * | * | | | trans | -165.5 | 85.4 | 141.1 | -102.8 | 152.3 | -168.6 | 167.5 | 0 | 107.5 | Q38 | K36-Q38 PolarHBondContact O-N 3.09Š|
| 37 | A | 42.7 | Very low | 43.3 | Very low | 109 Ų | 109 | 136 Ų | 136 | 90% | 0.901 | 74% | 0.744 | S | S | * | * | | | trans | -51.9 | 86 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | N39 | A37-N39 PolarHBondContact O-N 3.3Š|
| 38 | Q | 43 | Very low | 42.8 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -95.1 | 56.5 | 161 | -161.2 | 176.8 | 12.4 | 0 | 0 | 107.6 | K36 S40 | K36-Q38 PolarHBondContact O-N 3.09Å; Q38-S40 PolarHBondContact O-N 2.99Å |
| 39 | N | 46 | Very low | 43.2 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | -90.4 | 68.3 | 163 | -163.4 | 44.3 | 0 | 0 | 0 | 107.7 | A37 A41 | A37-N39 PolarHBondContact O-N 3.3Å; N39-A41 PolarHBondContact O-N 3.48Å; N39-A41 VanDerWaalsContact O-N 3.14Å |
| 40 | S | 44.4 | Very low | 43.1 | Very low | 90 Ų | 90 | 139.3 Ų | 139.3 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | trans | -70.6 | 101.4 | 167.5 | 51.6 | 0 | 0 | 0 | 0 | 108.4 | Q38 | Q38-S40 PolarHBondContact O-N 2.99Š|
| 41 | A | 39.8 | Very low | 43.2 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | 39.9 | 97.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | N39 | N39-A41 PolarHBondContact O-N 3.48Å; N39-A41 VanDerWaalsContact O-N 3.14Å |
| 42 | I | 53.5 | Low | 43.6 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | -140.1 | 85.7 | 145.5 | -52.7 | 179.9 | 0 | 0 | 0 | 108.9 | | |
| 43 | D | 46.6 | Very low | 43.6 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | 24.9 | 110 | 133.5 | -154 | 68.9 | 0 | 0 | 0 | 119.1 | K45 | D43-K45 PolarHBondContact O-N 2.96Š|
| 44 | D | 49.6 | Very low | 43.7 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | 43.5 | 49.7 | 142.3 | -65.3 | -11.5 | 0 | 0 | 0 | 120.9 | | |
| 45 | K | 42.2 | Very low | 43.7 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -113.6 | 62.2 | 151.4 | -73.4 | -174.8 | 178 | 178 | 0 | 111.4 | D43 M47 | D43-K45 PolarHBondContact O-N 2.96Å; K45-M47 PolarHBondContact O-N 3.24Å |
| 46 | V | 49.9 | Very low | 44 | Very low | 108 Ų | 108 | 147 Ų | 147 | 66% | 0.655 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 58.5 | 177.2 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 47 | M | 47.7 | Very low | 43.6 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | 0.4 | 167.3 | -74 | -160.1 | -71 | 0 | 0 | 114.8 | K45 | K45-M47 PolarHBondContact O-N 3.24Š|
| 48 | D | 41.7 | Very low | 43.2 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -92 | 0.8 | 171.3 | -79.5 | -28.9 | 0 | 0 | 0 | 113.7 | V50 N51 | D48-V50 PolarHBondContact O-N 3.03Å; D48-V50 VanDerWaalsContact O-N 3.1Å; D48-N51 PolarHBondContact O-N 3.34Å |
| 49 | I | 50.9 | Low | 43.1 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 32.2 | 166.8 | -42.4 | 176.2 | 0 | 0 | 0 | 110.5 | | |
| 50 | V | 42.3 | Very low | 42.8 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 6.9 | 163 | -161.5 | 0 | 0 | 0 | 0 | 110.3 | D48 | D48-V50 PolarHBondContact O-N 3.03Å; D48-V50 VanDerWaalsContact O-N 3.1Å |
| 51 | N | 42.6 | Very low | 42.5 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -110.2 | 37.5 | 169.9 | -156.5 | 73.2 | 0 | 0 | 0 | 112 | D48 | D48-N51 PolarHBondContact O-N 3.34Š|
| 52 | F | 45.9 | Very low | 42.6 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -122.5 | 40.4 | 169.8 | -151.8 | -93.3 | 0 | 0 | 0 | 111.5 | | |
| 53 | D | 34.5 | Very low | 41.9 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -154.6 | 129.5 | 158.7 | -110.9 | -53.9 | 0 | 0 | 0 | 109 | | |
| 54 | N | 37.7 | Very low | 41.9 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 91.7 | 100 | 179.8 | -48 | -53.6 | 0 | 0 | 0 | 115.6 | | |
| 55 | E | 39.1 | Very low | 41.6 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | | | trans | 95 | 32.8 | 155.4 | -139.1 | 179.2 | 122.5 | 0 | 0 | 118.7 | G57 | E55-G57 PolarHBondContact O-N 3.08Š|
| 56 | L | 42.1 | Very low | 41.9 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | | | trans | -87 | 57.4 | 135.8 | -73.9 | 171 | 0 | 0 | 0 | 108.9 | G58 | L56-G58 PolarHBondContact O-N 2.98Š|
| 57 | G | 33.6 | Very low | 42 | Very low | 61 Ų | 61 | 128 Ų | 128 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | | | trans | -67.1 | 29 | 145.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E55 E59 | E55-G57 PolarHBondContact O-N 3.08Å; G57-E59 PolarHBondContact O-N 2.9Å |
| 58 | G | 34.3 | Very low | 42.3 | Very low | 48 Ų | 48 | 122.2 Ų | 122.2 | 50% | 0.495 | 66% | 0.661 | S | S | . | * | | | trans | -70.7 | 83.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | L56 S60 | L56-G58 PolarHBondContact O-N 2.98Å; G58-S60 PolarHBondContact O-N 3.42Å |
| 59 | E | 40.9 | Very low | 42.5 | Very low | 135 Ų | 135 | 116.5 Ų | 116.5 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | | | trans | -9.5 | 109.2 | 133.2 | 50.6 | -166.3 | 79.8 | 0 | 0 | 108.3 | G57 F61 | G57-E59 PolarHBondContact O-N 2.9Å; E59-F61 HydrophobicContact CG-CD2 3.81Å; E59-F61 HydrophobicContact CG-CE2 3.52Å; E59-F61 HydrophobicContact CG-CZ 4.44Å; E59-F61 WeakPolarHBondContact O-CD2 3.49Å; E59-F61 PolarHBondContact O-N 2.99Å; E59-F61 WeakPolarHBondContact OE2-CE2 3.5Å; E59-F61 WeakPolarHBondContact OE2-CZ 3.08Å |
| 60 | S | 39.1 | Very low | 42.5 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 62% | 0.622 | 64% | 0.642 | S | S | * | * | | | trans | -52 | 89 | 171.9 | 51.2 | 0 | 0 | 0 | 0 | 106.5 | G58 F62 | G58-S60 PolarHBondContact O-N 3.42Å; S60-F62 PolarHBondContact O-N 3.38Å |
| 61 | F | 37.9 | Very low | 43 | Very low | 160 Ų | 160 | 116.8 Ų | 116.8 | 70% | 0.702 | 64% | 0.635 | S | S | * | * | | | trans | -67.5 | 75.7 | 153.3 | -78.5 | -83.2 | 0 | 0 | 0 | 102.8 | E59 D63 | E59-F61 HydrophobicContact CG-CD2 3.81Å; E59-F61 HydrophobicContact CG-CE2 3.52Å; E59-F61 HydrophobicContact CG-CZ 4.44Å; E59-F61 WeakPolarHBondContact O-CD2 3.49Å; E59-F61 PolarHBondContact O-N 2.99Å; E59-F61 WeakPolarHBondContact OE2-CE2 3.5Å; E59-F61 WeakPolarHBondContact OE2-CZ 3.08Å; F61-D63 PolarHBondContact O-N 2.78Å |
| 62 | F | 41.5 | Very low | 43.4 | Very low | 163 Ų | 163 | 114 Ų | 114 | 72% | 0.715 | 62% | 0.616 | S | S | * | * | | | trans | -49 | 95.6 | 130.7 | -65.2 | -82.6 | 0 | 0 | 0 | 102.3 | S60 T64 | S60-F62 PolarHBondContact O-N 3.38Å; F62-T64 HydrophobicContact CB-CG2 4.15Å; F62-T64 PolarHBondContact O-N 2.89Å |
| 63 | D | 40.2 | Very low | 43.8 | Very low | 122 Ų | 122 | 111.1 Ų | 111.1 | 65% | 0.652 | 61% | 0.608 | S | S | * | * | | | trans | -61.5 | 79.5 | 159 | -169.3 | 47.2 | 0 | 0 | 0 | 102.5 | F61 V65 | F61-D63 PolarHBondContact O-N 2.78Å; D63-V65 PolarHBondContact O-N 2.82Å |
| 64 | T | 45.5 | Very low | 44.8 | Very low | 78 Ų | 78 | 109.9 Ų | 109.9 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | | | trans | -63.6 | 82.4 | 156.2 | 54.6 | 0 | 0 | 0 | 0 | 100.7 | F62 E66 | F62-T64 HydrophobicContact CB-CG2 4.15Å; F62-T64 PolarHBondContact O-N 2.89Å; T64-E66 PolarHBondContact O-N 2.77Å |
| 65 | V | 43.1 | Very low | 45.7 | Very low | 88 Ų | 88 | 110.1 Ų | 110.1 | 53% | 0.533 | 60% | 0.597 | S | S | . | * | | | trans | -54.6 | 88.5 | 155 | -105.2 | 0 | 0 | 0 | 0 | 102.5 | D63 D67 | D63-V65 PolarHBondContact O-N 2.82Å; V65-D67 PolarHBondContact O-N 2.94Å |
| 66 | E | 49.3 | Very low | 46.6 | Very low | 103 Ų | 103 | 106.9 Ų | 106.9 | 48% | 0.481 | 58% | 0.582 | S | S | . | * | | | trans | -71.1 | 78.6 | 170.6 | -157.5 | -172.2 | 110.1 | 0 | 0 | 102 | C25 T64 C68 | C25-E66 HydrophobicContact CB-CG 3.74Å; C25-E66 PolarHBondContact SG-OE1 3.41Å; T64-E66 PolarHBondContact O-N 2.77Å; E66-C68 PolarHBondContact O-N 3.2Å; E66-C68 PolarHBondContact OE1-SG 3.17Å |
| 67 | D | 51.8 | Low | 47.3 | Very low | 104 Ų | 104 | 99.2 Ų | 99.2 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | | | trans | -67.5 | 77.8 | 171.8 | -172.2 | 41.9 | 0 | 0 | 0 | 105.4 | V65 G69 | V65-D67 PolarHBondContact O-N 2.94Å; D67-G69 PolarHBondContact O-N 3.22Å |
| 68 | C | 54.2 | Low | 48.4 | Very low | 45 Ų | 45 | 103 Ų | 103 | 30% | 0.304 | 54% | 0.543 | S | S | . | . | | | trans | -67.8 | 68.9 | 161.9 | -77.2 | 0 | 0 | 0 | 0 | 106.3 | K23 E66 | K23-C68 HydrophobicContact CD-CB 4.43Å; E66-C68 PolarHBondContact O-N 3.2Å; E66-C68 PolarHBondContact OE1-SG 3.17Å |
| 69 | G | 46.2 | Very low | 49.5 | Very low | 27 Ų | 27 | 108 Ų | 108 | 28% | 0.278 | 55% | 0.553 | S | S | . | * | | | trans | -50.7 | 146.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | D67 | D67-G69 PolarHBondContact O-N 3.22Š|
| 70 | E | 50.5 | Low | 50.1 | Low | 173 Ų | 173 | 106.4 Ų | 106.4 | 81% | 0.808 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -36.2 | 146 | -166.9 | -70.7 | 173.4 | 89.4 | 0 | 0 | 115.3 | F72 | E70-F72 PolarHBondContact O-N 3.27Š|
| 71 | P | 53.3 | Low | 50.8 | Low | 96 Ų | 96 | 106.6 Ų | 106.6 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | | | trans | -52.5 | 112.9 | -178.8 | 23.7 | -34.4 | 0 | 0 | 0 | 110.1 | I73 | P71-I73 PolarHBondContact O-N 3.31Š|
| 72 | F | 51.4 | Low | 51.5 | Low | 88 Ų | 88 | 103.9 Ų | 103.9 | 39% | 0.386 | 53% | 0.531 | S | S | . | . | | | trans | -64.9 | 133.2 | 171.1 | -64.1 | -84.8 | 0 | 0 | 0 | 107.9 | Q24 E70 D74 | Q24-F72 HydrophobicContact CB-CD2 4.39Å; Q24-F72 HydrophobicContact CB-CE2 4.21Å; E70-F72 PolarHBondContact O-N 3.27Å; F72-D74 PolarHBondContact O-N 2.84Å |
| 73 | I | 53.7 | Low | 51.7 | Low | 114 Ų | 114 | 100.9 Ų | 100.9 | 59% | 0.585 | 53% | 0.528 | S | S | * | . | | | trans | -60 | 130.8 | 170.9 | 55 | 169.5 | 0 | 0 | 0 | 107.6 | P71 E75 E76 | P71-I73 PolarHBondContact O-N 3.31Å; I73-E75 PolarHBondContact O-N 2.78Å; I73-E76 HydrophobicContact CG1-CG 4.37Å; I73-E76 PolarHBondContact O-N 2.83Å; I73-E76 VanDerWaalsContact O-N 3.08Å |
| 74 | D | 55.2 | Low | 52.1 | Low | 112 Ų | 112 | 100.7 Ų | 100.7 | 60% | 0.599 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -45.7 | -31.5 | -175 | 164.9 | -108.9 | 0 | 0 | 0 | 114.3 | F72 L77 E78 | F72-D74 PolarHBondContact O-N 2.84Å; D74-L77 WeakPolarHBondContact O-CB 3.46Å; D74-L77 PolarHBondContact O-N 2.7Å; D74-E78 PolarHBondContact O-N 2.84Å |
| 75 | E | 57.3 | Low | 52.3 | Low | 159 Ų | 159 | 105 Ų | 105 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 179.4 | -158.2 | 176.2 | 113.3 | 0 | 0 | 113.2 | I73 L77 E78 E79 | I73-E75 PolarHBondContact O-N 2.78Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 2.67Å; E75-E78 PolarHBondContact O-N 2.62Å; E75-E79 PolarHBondContact O-N 2.83Å |
| 76 | E | 57.3 | Low | 52.3 | Low | 114 Ų | 114 | 104.6 Ų | 104.6 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.7 | -29.1 | 177 | -75.5 | -170.3 | 94.4 | 0 | 0 | 111.9 | I73 E79 L80 | I73-E76 HydrophobicContact CG1-CG 4.37Å; I73-E76 PolarHBondContact O-N 2.83Å; I73-E76 VanDerWaalsContact O-N 3.08Å; E76-E79 PolarHBondContact O-N 2.77Å; E76-L80 PolarHBondContact O-N 2.66Å |
| 77 | L | 56 | Low | 52.2 | Low | 5 Ų | 5 | 105.3 Ų | 105.3 | 3% | 0.026 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -71 | -40.5 | 176.9 | -172.8 | 102.2 | 0 | 0 | 0 | 111.4 | I15 V22 D74 E75 E79 L80 M81 | I15-L77 HydrophobicContact CD1-CD1 4.44Å; I15-L77 HydrophobicContact CG2-CD1 4.3Å; V22-L77 HydrophobicContact CB-CD1 4.25Å; V22-L77 HydrophobicContact CB-CD2 3.86Å; V22-L77 HydrophobicContact CG1-CD1 3.64Å; V22-L77 HydrophobicContact CG1-CD2 3.62Å; V22-L77 HydrophobicContact CG1-CG 4.27Å; V22-L77 HydrophobicContact CG2-CD2 3.79Å; D74-L77 WeakPolarHBondContact O-CB 3.46Å; D74-L77 PolarHBondContact O-N 2.7Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 2.67Å; L77-E79 PolarHBondContact O-N 2.75Å; L77-L80 PolarHBondContact O-N 2.77Å; L77-M81 HydrophobicContact CD2-CG 4.49Å; L77-M81 HydrophobicContact CD2-SD 4.07Å; L77-M81 HydrophobicContact CG-CG 4.34Å; L77-M81 WeakPolarHBondContact O-CB 3.48Å; L77-M81 VanDerWaalsContact O-CG 3.28Å; L77-M81 WeakPolarHBondContact O-CG 3.34Å; L77-M81 PolarHBondContact O-N 2.88Å |
| 78 | E | 56.8 | Low | 52.2 | Low | 139 Ų | 139 | 107.1 Ų | 107.1 | 65% | 0.65 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.5 | -37.6 | 175.1 | -170.4 | 173.2 | 103.4 | 0 | 0 | 111 | D74 E75 M81 Q82 | D74-E78 PolarHBondContact O-N 2.84Å; E75-E78 PolarHBondContact O-N 2.62Å; E78-M81 PolarHBondContact O-N 3Å; E78-Q82 PolarHBondContact O-N 3.03Å |
| 79 | E | 58.3 | Low | 52.2 | Low | 153 Ų | 153 | 112.6 Ų | 112.6 | 72% | 0.715 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.3 | -43.7 | 175.3 | -159.5 | 175.1 | 127.5 | 0 | 0 | 112.3 | E75 E76 L77 M81 Q82 | E75-E79 PolarHBondContact O-N 2.83Å; E76-E79 PolarHBondContact O-N 2.77Å; L77-E79 PolarHBondContact O-N 2.75Å; E79-M81 VanDerWaalsContact C-N 3.3Å; E79-M81 PolarHBondContact O-N 3.33Å; E79-Q82 VanDerWaalsContact O-CB 3.3Å; E79-Q82 WeakPolarHBondContact O-CB 3.23Å; E79-Q82 PolarHBondContact O-N 2.75Å |
| 80 | L | 53.8 | Low | 52.5 | Low | 102 Ų | 102 | 118.4 Ų | 118.4 | 53% | 0.534 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.3 | -27.3 | 174.7 | -78.1 | 167.4 | 0 | 0 | 0 | 113.6 | E76 L77 Q82 | E76-L80 PolarHBondContact O-N 2.66Å; L77-L80 PolarHBondContact O-N 2.77Å; L80-Q82 VanDerWaalsContact C-N 3.25Å |
| 81 | M | 54.1 | Low | 52.7 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 46% | 0.458 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.8 | -18.8 | 171.8 | -76.3 | -165.8 | 71.3 | 0 | 0 | 111.8 | L77 E78 E79 P83 | L77-M81 HydrophobicContact CD2-CG 4.49Å; L77-M81 HydrophobicContact CD2-SD 4.07Å; L77-M81 HydrophobicContact CG-CG 4.34Å; L77-M81 WeakPolarHBondContact O-CB 3.48Å; L77-M81 VanDerWaalsContact O-CG 3.28Å; L77-M81 WeakPolarHBondContact O-CG 3.34Å; L77-M81 PolarHBondContact O-N 2.88Å; E78-M81 PolarHBondContact O-N 3Å; E79-M81 VanDerWaalsContact C-N 3.3Å; E79-M81 PolarHBondContact O-N 3.33Å; M81-P83 VanDerWaalsContact O-CD 3.25Å; M81-P83 WeakPolarHBondContact O-CD 3.33Å |
| 82 | Q | 51.1 | Low | 52.8 | Low | 104 Ų | 104 | 119.6 Ų | 119.6 | 49% | 0.486 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -65.7 | 117.4 | 164.2 | -65.4 | -155.6 | 0.6 | 0 | 0 | 107.1 | E78 E79 L80 | E78-Q82 PolarHBondContact O-N 3.03Å; E79-Q82 VanDerWaalsContact O-CB 3.3Å; E79-Q82 WeakPolarHBondContact O-CB 3.23Å; E79-Q82 PolarHBondContact O-N 2.75Å; L80-Q82 VanDerWaalsContact C-N 3.25Å |
| 83 | P | 46.6 | Very low | 53.1 | Low | 100 Ų | 100 | 121.2 Ų | 121.2 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | | | trans | -53.8 | 139.3 | 168.1 | 25.3 | -32.1 | 0 | 0 | 0 | 106.4 | M81 K85 | M81-P83 VanDerWaalsContact O-CD 3.25Å; M81-P83 WeakPolarHBondContact O-CD 3.33Å; P83-K85 PolarHBondContact O-N 2.72Å |
| 84 | P | 48.8 | Very low | 53.7 | Low | 118 Ų | 118 | 123.1 Ų | 123.1 | 77% | 0.766 | 65% | 0.651 | S | S | * | * | | | trans | -48.4 | 114.6 | 172.5 | 21 | -31.3 | 0 | 0 | 0 | 105.8 | S86 | P84-S86 PolarHBondContact O-N 2.86Š|
| 85 | K | 50.7 | Low | 53.8 | Low | 168 Ų | 168 | 124.9 Ų | 124.9 | 73% | 0.73 | 66% | 0.656 | S | S | * | * | | | trans | -51.5 | 116 | 173.4 | -82.9 | -170.7 | 180 | 70.3 | 0 | 103.9 | P83 S87 | P83-K85 PolarHBondContact O-N 2.72Å; K85-S87 PolarHBondContact O-N 2.83Å; K85-S87 VanDerWaalsContact O-N 3.15Å |
| 86 | S | 41.4 | Very low | 53.7 | Low | 80 Ų | 80 | 124.3 Ų | 124.3 | 56% | 0.559 | 66% | 0.658 | S | S | * | * | | | trans | -31.4 | 115.7 | -173.3 | 41 | 0 | 0 | 0 | 0 | 111 | P84 D88 | P84-S86 PolarHBondContact O-N 2.86Å; S86-D88 PolarHBondContact O-N 3.01Å |
| 87 | S | 47.1 | Very low | 53.6 | Low | 117 Ų | 117 | 127.3 Ų | 127.3 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -70.3 | 71.5 | 157.5 | 56.1 | 0 | 0 | 0 | 0 | 107.3 | K85 | K85-S87 PolarHBondContact O-N 2.83Å; K85-S87 VanDerWaalsContact O-N 3.15Å |
| 88 | D | 53.2 | Low | 53.7 | Low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | | | trans | -140.9 | 35.3 | 176.4 | -123.4 | -58.5 | 0 | 0 | 0 | 110.1 | S86 | S86-D88 PolarHBondContact O-N 3.01Š|
| 89 | E | 54.2 | Low | 53.7 | Low | 160 Ų | 160 | 133.2 Ų | 133.2 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | | | trans | -134.6 | 50.6 | 169.5 | -82.4 | 125.6 | 118.7 | 0 | 0 | 108.9 | D91 | E89-D91 PolarHBondContact O-N 3.38Š|
| 90 | D | 52.8 | Low | 53.6 | Low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | | | trans | -68.4 | 77.1 | 150.4 | -92.9 | -70.9 | 0 | 0 | 0 | 107.2 | D92 | D90-D92 VanDerWaalsContact C-N 3.28Å; D90-D92 PolarHBondContact O-N 3.1Å |
| 91 | D | 54.1 | Low | 53.7 | Low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | | | trans | 29.2 | 43 | 136.4 | -153.8 | 32.6 | 0 | 0 | 0 | 119.5 | E89 V93 | E89-D91 PolarHBondContact O-N 3.38Å; D91-V93 PolarHBondContact O-N 2.77Å |
| 92 | D | 55.9 | Low | 53.9 | Low | 160 Ų | 160 | 136.3 Ų | 136.3 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | | | trans | -89 | 33.6 | 165.6 | -81.2 | -42 | 0 | 0 | 0 | 112.1 | D90 | D90-D92 VanDerWaalsContact C-N 3.28Å; D90-D92 PolarHBondContact O-N 3.1Å |
| 93 | V | 57.8 | Low | 54.5 | Low | 123 Ų | 123 | 136.5 Ų | 136.5 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | | | trans | -117.7 | 61.4 | 167.9 | -168.7 | 0 | 0 | 0 | 0 | 108.8 | D91 E95 | D91-V93 PolarHBondContact O-N 2.77Å; V93-E95 PolarHBondContact O-N 3.48Å |
| 94 | I | 66.1 | Low | 55 | Low | 154 Ų | 154 | 143.2 Ų | 143.2 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -57.2 | 110.6 | 157 | 50.8 | 172.5 | 0 | 0 | 0 | 107.7 | D96 | I94-D96 VanDerWaalsContact C-N 3.33Å; I94-D96 PolarHBondContact O-N 3.28Å |
| 95 | E | 56.6 | Low | 55.3 | Low | 148 Ų | 148 | 144.5 Ų | 144.5 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | trans | -58.7 | 89.3 | 178.3 | -178.2 | -177.4 | 152.3 | 0 | 0 | 109.8 | V93 R97 | V93-E95 PolarHBondContact O-N 3.48Å; E95-R97 HydrophobicContact CG-CB 3.61Å; E95-R97 PolarHBondContact O-N 2.94Å; E95-R97 WeakPolarHBondContact OE1-CB 2.97Å; E95-R97 WeakPolarHBondContact OE1-CD 3.14Å |
| 96 | D | 56.1 | Low | 55.6 | Low | 147 Ų | 147 | 143.2 Ų | 143.2 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -71.7 | 69.8 | 164.2 | -174.5 | 35.6 | 0 | 0 | 0 | 108.8 | I94 | I94-D96 VanDerWaalsContact C-N 3.33Å; I94-D96 PolarHBondContact O-N 3.28Å |
| 97 | R | 55.3 | Low | 56.3 | Low | 178 Ų | 178 | 146.7 Ų | 146.7 | 67% | 0.672 | 80% | 0.795 | S | S | * | * | | | trans | -105 | 44.8 | 171.2 | -163.2 | -176.1 | 178.5 | 167.3 | 0.8 | 110 | E95 | E95-R97 HydrophobicContact CG-CB 3.61Å; E95-R97 PolarHBondContact O-N 2.94Å; E95-R97 WeakPolarHBondContact OE1-CB 2.97Å; E95-R97 WeakPolarHBondContact OE1-CD 3.14Å |
| 98 | E | 56.1 | Low | 56.9 | Low | 184 Ų | 184 | 148.5 Ų | 148.5 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -98.3 | 53.8 | 163.7 | -65.2 | -139 | 107.8 | 0 | 0 | 110.9 | | |
| 99 | A | 57.9 | Low | 57.1 | Low | 83 Ų | 83 | 148.9 Ų | 148.9 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | | | trans | -157.3 | 54.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 100 | Q | 55.3 | Low | 57.3 | Low | 165 Ų | 165 | 148.1 Ų | 148.1 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | | | trans | -131.7 | 81.5 | 153.7 | -77.2 | -171.8 | 69.4 | 0 | 0 | 109.2 | P102 | Q100-P102 WeakPolarHBondContact O-CD 3.49Š|
| 101 | T | 56.6 | Low | 57.6 | Low | 116 Ų | 116 | 148 Ų | 148 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | | | trans | -53.3 | 121.5 | 163.7 | 48.1 | 0 | 0 | 0 | 0 | 108.9 | S103 | T101-S103 VanDerWaalsContact C-N 3.33Å; T101-S103 PolarHBondContact O-N 3.14Å |
| 102 | P | 58.2 | Low | 57.9 | Low | 133 Ų | 133 | 149.2 Ų | 149.2 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -67.6 | 99.6 | 166.7 | 27.3 | -29 | 0 | 0 | 0 | 106.9 | Q100 D104 | Q100-P102 WeakPolarHBondContact O-CD 3.49Å; P102-D104 PolarHBondContact O-N 3.18Å |
| 103 | S | 63.6 | Low | 58.1 | Low | 108 Ų | 108 | 148.3 Ų | 148.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -76.8 | 107.3 | 169.6 | -77.6 | 0 | 0 | 0 | 0 | 108.9 | T101 | T101-S103 VanDerWaalsContact C-N 3.33Å; T101-S103 PolarHBondContact O-N 3.14Å |
| 104 | D | 57.3 | Low | 58.1 | Low | 240 Ų | 240 | 150.5 Ų | 150.5 | 100% | 1.283 | 81% | 0.806 | S | S | * | * | | | trans | 65.6 | 0 | 158.2 | -147.7 | -123.3 | 0 | 0 | 0 | 118.9 | P102 | P102-D104 PolarHBondContact O-N 3.18Š|