| 1 | M | 38.1 | Very low | 34 | Very low | 169 Ų | 169 | 103.7 Ų | 103.7 | 83% | 0.833 | 59% | 0.588 | S | S | * | * | | | | 0 | 109.4 | 0 | -174.4 | 177.4 | -93.9 | 0 | 0 | 106.7 | M10 | M1-M10 HydrophobicContact CE-CE 3.99Å; M1-M10 HydrophobicContact CE-SD 3.45Å; M1-M10 WeakPolarHBondContact CE-SD 3.47Å; M1-M10 HydrophobicContact CG-CG 3.94Å; M1-M10 HydrophobicContact CG-SD 3.76Å; M1-M10 HydrophobicContact SD-CG 4.36Å; M1-M10 HydrophobicContact SD-SD 3.37Å |
| 2 | F | 30.5 | Very low | 34.5 | Very low | 174 Ų | 174 | 99.8 Ų | 99.8 | 76% | 0.763 | 56% | 0.564 | S | S | * | * | | | trans | -90.4 | 116.4 | -175.4 | -73.7 | -83.8 | 0 | 0 | 0 | 109.6 | | |
| 3 | Y | 25.9 | Very low | 34.6 | Very low | 185 Ų | 185 | 98.2 Ų | 98.2 | 73% | 0.725 | 56% | 0.56 | S | S | * | * | B | Isolated β-bridge | trans | -92.2 | 110.7 | 175.5 | -136.1 | -92 | 0 | 0 | 0 | 108 | P5 | Y3-P5 WeakPolarHBondContact O-CD 3.45Å |
| 4 | G | 34.8 | Very low | 34.6 | Very low | 29 Ų | 29 | 103.7 Ų | 103.7 | 30% | 0.299 | 58% | 0.578 | S | S | . | * | | | trans | -86.7 | 111.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | S6 G8 | G4-S6 PolarHBondContact O-N 3.03Å; G4-S6 VanDerWaalsContact O-N 3.09Å; G4-G8 PolarHBondContact O-N 2.96Å |
| 5 | P | 31.6 | Very low | 34.9 | Very low | 129 Ų | 129 | 101.7 Ų | 101.7 | 84% | 0.838 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -0.1 | -171.8 | 27 | -32.6 | 0 | 0 | 0 | 114.9 | Y3 | Y3-P5 WeakPolarHBondContact O-CD 3.45Š|
| 6 | S | 35.1 | Very low | 35 | Very low | 97 Ų | 97 | 98.6 Ų | 98.6 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -10.7 | -178.9 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | G4 | G4-S6 PolarHBondContact O-N 3.03Å; G4-S6 VanDerWaalsContact O-N 3.09Å |
| 7 | T | 35 | Very low | 34.8 | Very low | 99 Ų | 99 | 97.2 Ų | 97.2 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | -13.8 | -178.1 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | V9 | T7-V9 WeakPolarHBondContact O-CG2 3.46Å; T7-V9 PolarHBondContact O-N 3.05Å; T7-V9 VanDerWaalsContact O-N 3.12Å |
| 8 | G | 30.1 | Very low | 35.1 | Very low | 59 Ų | 59 | 96.4 Ų | 96.4 | 61% | 0.608 | 55% | 0.55 | S | S | * | * | | | trans | 63.4 | 13.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G4 | G4-G8 PolarHBondContact O-N 2.96Š|
| 9 | V | 35.7 | Very low | 35.3 | Very low | 58 Ų | 58 | 94.6 Ų | 94.6 | 35% | 0.352 | 54% | 0.543 | S | S | . | . | | | trans | -99.8 | 124.6 | -179.1 | -169.6 | 0 | 0 | 0 | 0 | 109.8 | T7 L18 P19 | T7-V9 WeakPolarHBondContact O-CG2 3.46Å; T7-V9 PolarHBondContact O-N 3.05Å; T7-V9 VanDerWaalsContact O-N 3.12Å; V9-L18 HydrophobicContact CB-CD2 4.35Å; V9-L18 HydrophobicContact CG1-CD2 3.56Å; V9-P19 HydrophobicContact CG1-CG 4.34Å |
| 10 | M | 38.4 | Very low | 35.4 | Very low | 85 Ų | 85 | 95.3 Ų | 95.3 | 42% | 0.419 | 55% | 0.554 | S | S | . | * | B | Isolated β-bridge | trans | -90.2 | 111.8 | 178.7 | -164.3 | 175.7 | 65.1 | 0 | 0 | 109 | M1 P19 | M1-M10 HydrophobicContact CE-CE 3.99Å; M1-M10 HydrophobicContact CE-SD 3.45Å; M1-M10 WeakPolarHBondContact CE-SD 3.47Å; M1-M10 HydrophobicContact CG-CG 3.94Å; M1-M10 HydrophobicContact CG-SD 3.76Å; M1-M10 HydrophobicContact SD-CG 4.36Å; M1-M10 HydrophobicContact SD-SD 3.37Å; M10-P19 VanDerWaalsContact O-CD 3.27Å; M10-P19 WeakPolarHBondContact O-CD 3.13Å; M10-P19 WeakPolarHBondContact O-CG 3.27Å |
| 11 | V | 39.6 | Very low | 35.4 | Very low | 57 Ų | 57 | 94.7 Ų | 94.7 | 35% | 0.345 | 55% | 0.552 | S | S | . | * | | | trans | -85.8 | 134.9 | 178.2 | -165 | 0 | 0 | 0 | 0 | 109 | P13 L18 | V11-P13 WeakPolarHBondContact O-CD 3.43Å; V11-L18 HydrophobicContact CG2-CD2 4.11Å |
| 12 | N | 39.1 | Very low | 35 | Very low | 56 Ų | 56 | 88.9 Ų | 88.9 | 30% | 0.299 | 52% | 0.523 | S | S | . | . | | | trans | -67.5 | 118.6 | 176.4 | -179.9 | -24 | 0 | 0 | 0 | 109.3 | H14 T15 G16 L17 | N12-H14 PolarHBondContact O-N 3.17Å; N12-H14 WeakPolarHBondContact OD1-CB 3.36Å; N12-H14 PolarHBondContact OD1-N 2.96Å; N12-T15 WeakPolarHBondContact CB-OG1 3.36Å; N12-T15 PolarHBondContact O-N 2.86Å; N12-G16 PolarHBondContact O-N 2.87Å; N12-L17 PolarHBondContact N-O 3.12Å |
| 13 | P | 36.2 | Very low | 35.1 | Very low | 80 Ų | 80 | 84.8 Ų | 84.8 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -14.1 | -174.8 | 29.6 | -35.2 | 0 | 0 | 0 | 113.7 | V11 | V11-P13 WeakPolarHBondContact O-CD 3.43Š|
| 14 | H | 35 | Very low | 35.4 | Very low | 175 Ų | 175 | 80.8 Ų | 80.8 | 81% | 0.81 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -20.4 | 178.1 | -63.6 | -61.1 | 0 | 0 | 0 | 113.2 | N12 | N12-H14 PolarHBondContact O-N 3.17Å; N12-H14 WeakPolarHBondContact OD1-CB 3.36Å; N12-H14 PolarHBondContact OD1-N 2.96Å |
| 15 | T | 38.4 | Very low | 35.3 | Very low | 73 Ų | 73 | 85.7 Ų | 85.7 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -14.9 | -176 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | N12 L17 | N12-T15 WeakPolarHBondContact CB-OG1 3.36Å; N12-T15 PolarHBondContact O-N 2.86Å; T15-L17 PolarHBondContact O-N 2.87Å; T15-L17 VanDerWaalsContact O-N 3.12Å |
| 16 | G | 36.3 | Very low | 35.3 | Very low | 52 Ų | 52 | 85.7 Ų | 85.7 | 54% | 0.536 | 51% | 0.514 | S | S | . | . | | | trans | 66 | 7.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | N12 | N12-G16 PolarHBondContact O-N 2.87Š|
| 17 | L | 32.1 | Very low | 35.3 | Very low | 76 Ų | 76 | 86.5 Ų | 86.5 | 40% | 0.398 | 51% | 0.51 | S | S | . | . | | | trans | -91.2 | 139.1 | -176.4 | -68.7 | 180 | 0 | 0 | 0 | 111.1 | N12 T15 T21 | N12-L17 PolarHBondContact N-O 3.12Å; T15-L17 PolarHBondContact O-N 2.87Å; T15-L17 VanDerWaalsContact O-N 3.12Å; L17-T21 WeakPolarHBondContact CB-OG1 3.37Å |
| 18 | L | 41 | Very low | 35 | Very low | 82 Ų | 82 | 92.5 Ų | 92.5 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | | | trans | -66.1 | 146.7 | 168.2 | -68.5 | 162.2 | 0 | 0 | 0 | 108.6 | V9 V11 S20 T21 | V9-L18 HydrophobicContact CB-CD2 4.35Å; V9-L18 HydrophobicContact CG1-CD2 3.56Å; V11-L18 HydrophobicContact CG2-CD2 4.11Å; L18-S20 PolarHBondContact O-N 3.16Å; L18-T21 PolarHBondContact O-N 3.33Å; L18-T21 PolarHBondContact O-OG1 2.92Å |
| 19 | P | 37.3 | Very low | 34.9 | Very low | 62 Ų | 62 | 96.3 Ų | 96.3 | 40% | 0.403 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -55.9 | -22.1 | -177.6 | -25.1 | 33.4 | 0 | 0 | 0 | 114.4 | V9 M10 | V9-P19 HydrophobicContact CG1-CG 4.34Å; M10-P19 VanDerWaalsContact O-CD 3.27Å; M10-P19 WeakPolarHBondContact O-CD 3.13Å; M10-P19 WeakPolarHBondContact O-CG 3.27Å |
| 20 | S | 37.9 | Very low | 34.7 | Very low | 109 Ų | 109 | 102 Ų | 102 | 76% | 0.762 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -84 | -5.2 | -179.3 | 53.9 | 0 | 0 | 0 | 0 | 115.2 | L18 | L18-S20 PolarHBondContact O-N 3.16Š|
| 21 | T | 35.6 | Very low | 34.3 | Very low | 83 Ų | 83 | 104.4 Ų | 104.4 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -99.5 | -0.7 | 174.4 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | L17 L18 | L17-T21 WeakPolarHBondContact CB-OG1 3.37Å; L18-T21 PolarHBondContact O-N 3.33Å; L18-T21 PolarHBondContact O-OG1 2.92Å |
| 22 | L | 30 | Very low | 33.7 | Very low | 46 Ų | 46 | 106.2 Ų | 106.2 | 24% | 0.241 | 58% | 0.581 | C | S | . | * | S | Bend | trans | -84.6 | 119.5 | 168.8 | -69 | 167.6 | 0 | 0 | 0 | 108.2 | I27 | L22-I27 HydrophobicContact CB-CD1 4.4Å; L22-I27 HydrophobicContact CB-CG1 4.13Å |
| 23 | D | 32.2 | Very low | 33 | Very low | 88 Ų | 88 | 112.3 Ų | 112.3 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | | | trans | -46.2 | 130.1 | 169.4 | -165.6 | -37.5 | 0 | 0 | 0 | 108.2 | N25 Q26 | D23-N25 PolarHBondContact O-N 2.88Å; D23-N25 PolarHBondContact OD1-N 3.16Å; D23-N25 PolarHBondContact OD1-ND2 3.38Å; D23-Q26 HydrophobicContact CB-CG 4.31Å; D23-Q26 WeakPolarHBondContact O-CB 3.43Å; D23-Q26 PolarHBondContact O-N 3.38Å |
| 24 | P | 32.4 | Very low | 32.5 | Very low | 102 Ų | 102 | 114.1 Ų | 114.1 | 66% | 0.662 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -17.6 | -177.6 | 15.6 | -28.6 | 0 | 0 | 0 | 113.6 | | |
| 25 | N | 31.9 | Very low | 32 | Very low | 132 Ų | 132 | 112.3 Ų | 112.3 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -13.2 | 172.4 | -63.8 | -50 | 0 | 0 | 0 | 114.9 | D23 | D23-N25 PolarHBondContact O-N 2.88Å; D23-N25 PolarHBondContact OD1-N 3.16Å; D23-N25 PolarHBondContact OD1-ND2 3.38Å |
| 26 | Q | 33.2 | Very low | 31.2 | Very low | 128 Ų | 128 | 113.8 Ų | 113.8 | 60% | 0.598 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -16.6 | 176.5 | -68.6 | -170.9 | -14 | 0 | 0 | 113.6 | D23 R28 | D23-Q26 HydrophobicContact CB-CG 4.31Å; D23-Q26 WeakPolarHBondContact O-CB 3.43Å; D23-Q26 PolarHBondContact O-N 3.38Å; Q26-R28 PolarHBondContact O-N 3.3Å |
| 27 | I | 35.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 59% | 0.59 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -13.6 | 178.8 | -62.7 | 174.6 | 0 | 0 | 0 | 111.6 | L22 | L22-I27 HydrophobicContact CB-CD1 4.4Å; L22-I27 HydrophobicContact CB-CG1 4.13Å |
| 28 | R | 28.3 | Very low | 30.1 | Very low | 224 Ų | 224 | 125.4 Ų | 125.4 | 85% | 0.845 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 8.3 | -167.8 | -137.8 | 175.2 | -173.9 | 168.1 | 1.8 | 116.5 | Q26 | Q26-R28 PolarHBondContact O-N 3.3Š|
| 29 | N | 27.7 | Very low | 29.3 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -142.8 | 31.7 | -172.7 | -99.3 | -13.7 | 0 | 0 | 0 | 115.9 | | |
| 30 | Q | 31.3 | Very low | 28.6 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 83% | 0.832 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -125.7 | 86.3 | 162.1 | -72.2 | -163.5 | -14.2 | 0 | 0 | 110.1 | | |
| 31 | D | 28.9 | Very low | 28 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | | | trans | 35.7 | 105 | 130.1 | -56.6 | -31.9 | 0 | 0 | 0 | 116 | | |
| 32 | S | 27.1 | Very low | 27.3 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | | | | 45.2 | 110.4 | 85.4 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 33 | Q | 25 | Very low | 27 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | | | trans | 87.3 | 99.7 | 178.5 | -50.7 | 178.4 | -1.5 | 0 | 0 | 114.4 | | |
| 34 | T | 25.6 | Very low | 26.8 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | | 157.8 | 132.6 | 87.2 | -8.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 35 | N | 24.2 | Very low | 26.5 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | 74.6 | 92.8 | 147.7 | -59 | -18.6 | 0 | 0 | 0 | 122.3 | | |
| 36 | S | 22.1 | Very low | 26.3 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | 1.1 | 131 | 133.1 | -43.6 | 0 | 0 | 0 | 0 | 120 | | |
| 37 | Y | 23 | Very low | 26.1 | Very low | 236 Ų | 236 | 143.8 Ų | 143.8 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | | | trans | -136.5 | 105.1 | 136.7 | -80.5 | -79.2 | 0 | 0 | 0 | 109.5 | | |
| 38 | D | 22.8 | Very low | 25.6 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | trans | -62.5 | 126.5 | 161.8 | -90.5 | -45.8 | 0 | 0 | 0 | 109.9 | | |
| 39 | L | 24.2 | Very low | 25.4 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 94% | 0.937 | 76% | 0.759 | S | S | * | * | | | trans | -143 | 68.5 | 148.8 | -79.5 | 179.8 | 0 | 0 | 0 | 109.1 | | |
| 40 | L | 22.7 | Very low | 25.3 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | -85.3 | 144.5 | 148.5 | -72.5 | 170.6 | 0 | 0 | 0 | 108.1 | | |
| 41 | N | 24.3 | Very low | 25 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | | | trans | 109.4 | 90.9 | 143.7 | -150 | 18.2 | 0 | 0 | 0 | 117.6 | | |
| 42 | S | 22 | Very low | 24.8 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -171 | 66.4 | 133.3 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 43 | S | 24 | Very low | 24.5 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 57% | 0.573 | 75% | 0.752 | S | S | * | * | | | trans | 178.2 | 108.6 | 145.4 | 27.4 | 0 | 0 | 0 | 0 | 111.1 | N45 | S43-N45 PolarHBondContact O-N 3.41Š|
| 44 | S | 26.8 | Very low | 24.5 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 18.7 | -178.7 | 38.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 45 | N | 27.6 | Very low | 24.4 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 3.3 | -176.8 | -101.1 | -25.1 | 0 | 0 | 0 | 115.3 | S43 | S43-N45 PolarHBondContact O-N 3.41Š|
| 46 | L | 26.4 | Very low | 24.3 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 61% | 0.613 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -101.6 | -3.8 | 177.5 | -74.8 | 169 | 0 | 0 | 0 | 114 | S48 | L46-S48 VanDerWaalsContact C-N 3.26Å; L46-S48 PolarHBondContact O-N 2.87Å |
| 47 | L | 28.2 | Very low | 24.5 | Very low | 147 Ų | 147 | 139 Ų | 139 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -13.1 | -176.2 | -156.8 | 68.1 | 0 | 0 | 0 | 113.6 | | |
| 48 | S | 25.4 | Very low | 24.4 | Very low | 82 Ų | 82 | 136.1 Ų | 136.1 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -9.2 | -178.6 | 59.1 | 0 | 0 | 0 | 0 | 114.9 | L46 | L46-S48 VanDerWaalsContact C-N 3.26Å; L46-S48 PolarHBondContact O-N 2.87Å |
| 49 | L | 25.3 | Very low | 24.4 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -93.3 | -11.2 | 175.7 | -109.8 | 82.1 | 0 | 0 | 0 | 113.9 | | |
| 50 | L | 25.3 | Very low | 24.3 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -95.9 | 3.7 | -177.4 | -80.1 | 161 | 0 | 0 | 0 | 114.2 | | |
| 51 | T | 25.2 | Very low | 24.2 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | | | trans | -96.2 | 14.6 | -178.2 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | S53 | T51-S53 PolarHBondContact O-N 2.86Š|
| 52 | H | 23.3 | Very low | 24.1 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -75.7 | 76.7 | 162.4 | -68.6 | 76.1 | 0 | 0 | 0 | 108.6 | L54 | H52-L54 PolarHBondContact O-N 2.81Å; H52-L54 VanDerWaalsContact O-N 3.12Å |
| 53 | S | 22 | Very low | 24 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | | | trans | 34.1 | 74.1 | 145.4 | 168.8 | 0 | 0 | 0 | 0 | 114 | T51 Q55 | T51-S53 PolarHBondContact O-N 2.86Å; S53-Q55 PolarHBondContact O-N 2.69Å |
| 54 | L | 23.9 | Very low | 24 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | | | trans | -67 | 81.9 | 152.7 | -72.1 | 166 | 0 | 0 | 0 | 106.5 | H52 | H52-L54 PolarHBondContact O-N 2.81Å; H52-L54 VanDerWaalsContact O-N 3.12Å |
| 55 | Q | 23.8 | Very low | 23.8 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | | | trans | -56.4 | 129.9 | 156.6 | -79.5 | -171.9 | -27.8 | 0 | 0 | 105.7 | S53 I57 | S53-Q55 PolarHBondContact O-N 2.69Å; Q55-I57 PolarHBondContact O-N 3.26Å |
| 56 | P | 23.2 | Very low | 23.6 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | | | trans | -54.7 | 112.6 | 171.7 | 21.6 | -29.7 | 0 | 0 | 0 | 106.5 | Q58 | P56-Q58 VanDerWaalsContact C-N 3.34Å; P56-Q58 PolarHBondContact O-N 3.18Å |
| 57 | I | 25.4 | Very low | 23.3 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | | | trans | -55.4 | 111.6 | 162.4 | -64.9 | 171.4 | 0 | 0 | 0 | 103.3 | Q55 S59 | Q55-I57 PolarHBondContact O-N 3.26Å; I57-S59 PolarHBondContact O-N 3.26Å; I57-S59 VanDerWaalsContact O-N 3.16Å |
| 58 | Q | 21.1 | Very low | 23.1 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | -45.3 | 127.9 | 174.8 | -76 | -179.4 | -45.4 | 0 | 0 | 107.3 | P56 T60 | P56-Q58 VanDerWaalsContact C-N 3.34Å; P56-Q58 PolarHBondContact O-N 3.18Å; Q58-T60 PolarHBondContact O-N 2.76Å |
| 59 | S | 21.9 | Very low | 23 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | | | trans | -48.8 | 105.6 | 176.2 | -55.9 | 0 | 0 | 0 | 0 | 108.7 | I57 A61 | I57-S59 PolarHBondContact O-N 3.26Å; I57-S59 VanDerWaalsContact O-N 3.16Å; S59-A61 PolarHBondContact O-N 2.93Å |
| 60 | T | 22.5 | Very low | 22.9 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | | | trans | -68.1 | 90.4 | 159.3 | 42.8 | 0 | 0 | 0 | 0 | 104.9 | Q58 F62 | Q58-T60 PolarHBondContact O-N 2.76Å; T60-F62 PolarHBondContact O-N 3.12Å; T60-F62 VanDerWaalsContact O-N 3.14Å |
| 61 | A | 20.7 | Very low | 22.8 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | | | trans | -51.1 | 121.3 | 161 | 0 | 0 | 0 | 0 | 0 | 106.3 | S59 V63 | S59-A61 PolarHBondContact O-N 2.93Å; A61-V63 HydrophobicContact CB-CG2 4.06Å; A61-V63 PolarHBondContact O-N 3.09Å |
| 62 | F | 23.3 | Very low | 22.7 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | | | trans | -62.5 | 83.4 | 155.6 | -75.6 | -91.3 | 0 | 0 | 0 | 106 | T60 T64 | T60-F62 PolarHBondContact O-N 3.12Å; T60-F62 VanDerWaalsContact O-N 3.14Å; F62-T64 VanDerWaalsContact C-N 3.29Å; F62-T64 PolarHBondContact O-N 3.48Å; F62-T64 VanDerWaalsContact O-N 3.11Å |
| 63 | V | 19.7 | Very low | 22.7 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | | | trans | -71.7 | 102.2 | 158.9 | -167.9 | 0 | 0 | 0 | 0 | 103.2 | A61 S65 | A61-V63 HydrophobicContact CB-CG2 4.06Å; A61-V63 PolarHBondContact O-N 3.09Å; V63-S65 PolarHBondContact O-N 3.14Å |
| 64 | T | 24.4 | Very low | 22.7 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | trans | -64.7 | 66.7 | 153.4 | 46.4 | 0 | 0 | 0 | 0 | 106.8 | F62 N66 | F62-T64 VanDerWaalsContact C-N 3.29Å; F62-T64 PolarHBondContact O-N 3.48Å; F62-T64 VanDerWaalsContact O-N 3.11Å; T64-N66 PolarHBondContact O-N 2.76Å |
| 65 | S | 20.9 | Very low | 22.9 | Very low | 69 Ų | 69 | 134.9 Ų | 134.9 | 48% | 0.483 | 75% | 0.745 | S | S | . | * | | | trans | -73.3 | 91.7 | 167 | 58.5 | 0 | 0 | 0 | 0 | 104.6 | V63 Q67 | V63-S65 PolarHBondContact O-N 3.14Å; S65-Q67 PolarHBondContact O-N 2.77Å |
| 66 | N | 23.2 | Very low | 22.9 | Very low | 167 Ų | 167 | 133 Ų | 133 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | | | trans | -58.7 | 64.2 | 139.3 | -73.2 | -30.6 | 0 | 0 | 0 | 107.7 | T64 | T64-N66 PolarHBondContact O-N 2.76Š|
| 67 | Q | 21.7 | Very low | 23 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | -92.2 | 107.5 | 159.5 | -86.8 | -170.7 | -4.1 | 0 | 0 | 105 | S65 I69 | S65-Q67 PolarHBondContact O-N 2.77Å; Q67-I69 PolarHBondContact O-N 3.11Å |
| 68 | H | 23.1 | Very low | 23.2 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | trans | -39.5 | 93.1 | 172 | -153.8 | -88.6 | 0 | 0 | 0 | 110.5 | P70 | H68-P70 VanDerWaalsContact O-CD 3.27Å; H68-P70 WeakPolarHBondContact O-CD 3.47Å |
| 69 | I | 23.2 | Very low | 23.6 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | trans | -71.3 | 115 | 168 | -59.7 | 177.7 | 0 | 0 | 0 | 105.2 | Q67 I71 | Q67-I69 PolarHBondContact O-N 3.11Å; I69-I71 PolarHBondContact O-N 3.17Å |
| 70 | P | 22.6 | Very low | 24 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 63% | 0.63 | 75% | 0.745 | S | S | * | * | | | trans | -68.8 | 117.9 | 176.3 | -7.9 | 24.2 | 0 | 0 | 0 | 107.8 | H68 I72 | H68-P70 VanDerWaalsContact O-CD 3.27Å; H68-P70 WeakPolarHBondContact O-CD 3.47Å; P70-I72 PolarHBondContact O-N 2.89Å |
| 71 | I | 24.2 | Very low | 24.4 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | | | trans | -69.5 | 111.6 | 165.5 | -61 | 174.1 | 0 | 0 | 0 | 106.1 | I69 T73 | I69-I71 PolarHBondContact O-N 3.17Å; I71-T73 PolarHBondContact O-N 2.87Å; I71-T73 VanDerWaalsContact O-N 3.14Å |
| 72 | I | 22 | Very low | 24.8 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | -71 | 103.1 | 174.6 | -59.8 | 173.1 | 0 | 0 | 0 | 107.3 | P70 | P70-I72 PolarHBondContact O-N 2.89Š|
| 73 | T | 24.9 | Very low | 25 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | trans | -88.8 | 112.9 | 167.4 | 38.8 | 0 | 0 | 0 | 0 | 109.8 | I71 T75 | I71-T73 PolarHBondContact O-N 2.87Å; I71-T73 VanDerWaalsContact O-N 3.14Å; T73-T75 PolarHBondContact O-N 2.93Å |
| 74 | N | 21.9 | Very low | 25.3 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | | | trans | -85.4 | 101.5 | 173.5 | -147.5 | 0.8 | 0 | 0 | 0 | 108.2 | | |
| 75 | T | 26.8 | Very low | 25.4 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | | | trans | -135 | 116.8 | 158.7 | 44.2 | 0 | 0 | 0 | 0 | 109.3 | T73 | T73-T75 PolarHBondContact O-N 2.93Š|
| 76 | T | 25.2 | Very low | 25.8 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | | | trans | -66.8 | 145.2 | 178.7 | -18 | 0 | 0 | 0 | 0 | 112 | | |
| 77 | D | 25.1 | Very low | 25.9 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | trans | 86.1 | 116.6 | 149.9 | -62.4 | -29.9 | 0 | 0 | 0 | 122.6 | | |
| 78 | N | 29.7 | Very low | 26.2 | Very low | 156 Ų | 156 | 143 Ų | 143 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | 87 | 69.4 | 149.9 | -67.1 | -15.1 | 0 | 0 | 0 | 119.8 | | |
| 79 | G | 28.1 | Very low | 26.2 | Very low | 74 Ų | 74 | 144.4 Ų | 144.4 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | | 68.4 | 88.7 | 93.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 80 | N | 31.4 | Very low | 26.3 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | | -157.4 | 112.2 | 126.2 | -130.3 | -11.6 | 0 | 0 | 0 | 109.8 | K82 | N80-K82 PolarHBondContact O-N 3.36Š|
| 81 | D | 31.6 | Very low | 26.4 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -61.8 | 120.7 | -176.2 | -68.5 | -54.9 | 0 | 0 | 0 | 112.5 | | |
| 82 | K | 27.7 | Very low | 26.3 | Very low | 193 Ų | 193 | 144 Ų | 144 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | 176.1 | 120 | 136.8 | -93.1 | 153.5 | -170.5 | -177.4 | 0 | 108.5 | N80 | N80-K82 PolarHBondContact O-N 3.36Š|
| 83 | N | 28.2 | Very low | 26.5 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | 102.9 | 69.6 | 174.8 | -51.4 | -24.5 | 0 | 0 | 0 | 115.8 | H85 | N83-H85 PolarHBondContact O-N 2.86Š|
| 84 | N | 25.9 | Very low | 26.5 | Very low | 173 Ų | 173 | 142 Ų | 142 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | | | trans | -69.1 | 83 | 148.5 | -86.9 | -20.3 | 0 | 0 | 0 | 109.2 | | |
| 85 | H | 27.1 | Very low | 26.6 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | | | trans | -126.9 | 123.9 | 158.8 | -81.5 | -76 | 0 | 0 | 0 | 107.6 | N83 N87 | N83-H85 PolarHBondContact O-N 2.86Å; H85-N87 PolarHBondContact O-N 3.26Å |
| 86 | L | 27.8 | Very low | 26.5 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | trans | -58.1 | 77.7 | 162.3 | -82 | 153.2 | 0 | 0 | 0 | 108.6 | M88 | L86-M88 PolarHBondContact O-N 3.31Š|
| 87 | N | 26.5 | Very low | 26.4 | Very low | 114 Ų | 114 | 144 Ų | 144 | 61% | 0.61 | 78% | 0.782 | S | S | * | * | | | trans | -84.5 | 86.5 | 173.4 | -102 | -2 | 0 | 0 | 0 | 107.6 | H85 Y89 | H85-N87 PolarHBondContact O-N 3.26Å; N87-Y89 HydrophobicContact CB-CD2 3.8Å; N87-Y89 HydrophobicContact CB-CE2 4.32Å; N87-Y89 VanDerWaalsContact CG-CD2 3.44Å; N87-Y89 VanDerWaalsContact CG-CE2 3.46Å; N87-Y89 PolarHBondContact O-N 3Å; N87-Y89 VanDerWaalsContact OD1-CE2 3.27Å; N87-Y89 WeakPolarHBondContact OD1-CE2 3.16Å |
| 88 | M | 27.2 | Very low | 26.3 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | | | trans | -75.8 | 62.2 | 162.4 | -148.7 | -178 | -57.4 | 0 | 0 | 108.3 | L86 | L86-M88 PolarHBondContact O-N 3.31Š|
| 89 | Y | 24.3 | Very low | 26.2 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | -85.5 | 108.5 | 164.2 | -80.1 | -76.3 | 0 | 0 | 0 | 107.3 | N87 T91 | N87-Y89 HydrophobicContact CB-CD2 3.8Å; N87-Y89 HydrophobicContact CB-CE2 4.32Å; N87-Y89 VanDerWaalsContact CG-CD2 3.44Å; N87-Y89 VanDerWaalsContact CG-CE2 3.46Å; N87-Y89 PolarHBondContact O-N 3Å; N87-Y89 VanDerWaalsContact OD1-CE2 3.27Å; N87-Y89 WeakPolarHBondContact OD1-CE2 3.16Å; Y89-T91 PolarHBondContact O-N 3.47Å; Y89-T91 PolarHBondContact O-OG1 3.03Å |
| 90 | N | 24.2 | Very low | 26 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -57 | 94.7 | 158.7 | -109.2 | -13.5 | 0 | 0 | 0 | 107.4 | T92 | N90-T92 PolarHBondContact O-N 3.39Š|
| 91 | T | 23.9 | Very low | 25.7 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | | | trans | -90.9 | 93 | 170.7 | -37.5 | 0 | 0 | 0 | 0 | 105.1 | Y89 N93 | Y89-T91 PolarHBondContact O-N 3.47Å; Y89-T91 PolarHBondContact O-OG1 3.03Å; T91-N93 PolarHBondContact O-N 2.89Å |
| 92 | T | 23.2 | Very low | 25.3 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 63% | 0.632 | 78% | 0.777 | S | S | * | * | | | trans | -68.6 | 82.6 | 169.5 | -23 | 0 | 0 | 0 | 0 | 107.2 | N90 S94 | N90-T92 PolarHBondContact O-N 3.39Å; T92-S94 PolarHBondContact O-N 3.01Å |
| 93 | N | 25.2 | Very low | 25.1 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -82.1 | 96 | 172.1 | -162.2 | 3.4 | 0 | 0 | 0 | 108.4 | T91 N95 | T91-N93 PolarHBondContact O-N 2.89Å; N93-N95 PolarHBondContact O-N 3.11Å |
| 94 | S | 25.2 | Very low | 24.9 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -59.5 | 92.7 | 166 | 44.8 | 0 | 0 | 0 | 0 | 110.4 | T92 | T92-S94 PolarHBondContact O-N 3.01Š|
| 95 | N | 24.6 | Very low | 24.9 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | 162.5 | 88.2 | 150.1 | -89.3 | -14.9 | 0 | 0 | 0 | 109.6 | N93 | N93-N95 PolarHBondContact O-N 3.11Š|
| 96 | C | 25.3 | Very low | 24.8 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 91% | 0.905 | 78% | 0.783 | S | S | * | * | | | trans | -141.2 | 93.4 | 159 | -87.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 97 | N | 22.7 | Very low | 24.8 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | -66.9 | 139.1 | 157.7 | -76.7 | -33.4 | 0 | 0 | 0 | 108.7 | | |
| 98 | S | 23.8 | Very low | 24.9 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | 60.9 | 110.8 | 166.5 | 71.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 99 | I | 27.6 | Very low | 24.9 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | | | trans | -86 | 105.4 | 151.9 | -64.8 | 175.5 | 0 | 0 | 0 | 106.7 | | |
| 100 | N | 23.1 | Very low | 25.2 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | trans | -77.6 | 134.2 | 175.4 | -166.3 | 6.8 | 0 | 0 | 0 | 110 | S102 | N100-S102 PolarHBondContact O-N 2.95Š|
| 101 | N | 24.2 | Very low | 25.5 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -57.1 | 113.1 | 170.3 | -107.4 | -22.1 | 0 | 0 | 0 | 110.6 | | |
| 102 | S | 23.4 | Very low | 25.8 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | -178.1 | 81.3 | 153.6 | 43.8 | 0 | 0 | 0 | 0 | 112.4 | N100 | N100-S102 PolarHBondContact O-N 2.95Š|
| 103 | C | 24.4 | Very low | 26 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 89% | 0.892 | 77% | 0.765 | S | S | * | * | | | trans | -147.6 | 78.8 | 155.3 | -100 | 0 | 0 | 0 | 0 | 110.2 | R105 | C103-R105 PolarHBondContact O-N 2.78Å; C103-R105 VanDerWaalsContact O-N 3.14Å |
| 104 | N | 23.8 | Very low | 26.2 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 94% | 0.941 | 76% | 0.764 | S | S | * | * | | | trans | -72.4 | 89.4 | 160.7 | -84.9 | -16.9 | 0 | 0 | 0 | 108.7 | | |
| 105 | R | 25.9 | Very low | 26.4 | Very low | 236 Ų | 236 | 137.7 Ų | 137.7 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | | | trans | -131 | 121.4 | 159.4 | -109 | -175.8 | 175.4 | -171.7 | -1.3 | 108.8 | C103 T107 | C103-R105 PolarHBondContact O-N 2.78Å; C103-R105 VanDerWaalsContact O-N 3.14Å; R105-T107 PolarHBondContact O-N 2.97Å |
| 106 | S | 24.1 | Very low | 26.5 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | | | trans | -52.1 | 117.8 | -177.8 | 167.4 | 0 | 0 | 0 | 0 | 112.3 | A108 | S106-A108 PolarHBondContact O-N 2.97Å; S106-A108 PolarHBondContact OG-N 3.47Å |
| 107 | T | 28.5 | Very low | 26.6 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 2.9 | 173.1 | 21.9 | 0 | 0 | 0 | 0 | 113.8 | R105 | R105-T107 PolarHBondContact O-N 2.97Š|
| 108 | A | 28.4 | Very low | 26.9 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 60% | 0.603 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -20.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S106 | S106-A108 PolarHBondContact O-N 2.97Å; S106-A108 PolarHBondContact OG-N 3.47Å |
| 109 | Q | 28.1 | Very low | 27.2 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -96.3 | -9.4 | -172.7 | -75.3 | -175.4 | -38.3 | 0 | 0 | 115.7 | | |
| 110 | N | 29.6 | Very low | 27.3 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -99.2 | -2.9 | -179.8 | -81.5 | -21.8 | 0 | 0 | 0 | 114.5 | | |
| 111 | K | 31.3 | Very low | 27.5 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 56% | 0.561 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -75.7 | -27.7 | -177.9 | -77.7 | -171 | 170.8 | -170.6 | 0 | 113.8 | D162 | K111-D162 WeakPolarHBondContact CE-OD2 3.26Å; K111-D162 IonicContact NZ-OD2 2.64Å; K111-D162 PolarHBondContact NZ-OD2 3.39Å |
| 112 | E | 30.2 | Very low | 27.9 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -83.1 | -25.7 | -174.1 | -68.9 | -176.5 | 167.6 | 0 | 0 | 114 | | |
| 113 | Q | 27 | Very low | 28.2 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 65% | 0.654 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -79.9 | -34.8 | -178 | -91 | 179.7 | -28 | 0 | 0 | 114.1 | E117 | Q113-E117 PolarHBondContact O-N 2.84Å |
| 114 | Q | 30.2 | Very low | 28.7 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -77.5 | -28.8 | -177.7 | -74.8 | -175.7 | -3.3 | 0 | 0 | 113.6 | | |
| 115 | A | 27.8 | Very low | 29.1 | Very low | 60 Ų | 60 | 129 Ų | 129 | 50% | 0.496 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -72.1 | -35 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I119 | A115-I119 WeakPolarHBondContact O-CD1 3.43Å; A115-I119 WeakPolarHBondContact O-CG1 3.21Å |
| 116 | A | 26.9 | Very low | 29.2 | Very low | 55 Ų | 55 | 122.5 Ų | 122.5 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.9 | -36.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 117 | E | 26.9 | Very low | 29.6 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 73% | 0.729 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.2 | -29.2 | 177.9 | -78.7 | -174.4 | 154.4 | 0 | 0 | 113.2 | Q113 I119 | Q113-E117 PolarHBondContact O-N 2.84Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 2.84Å |
| 118 | F | 29.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 55% | 0.548 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73 | -26.2 | 179 | -139 | -93.4 | 0 | 0 | 0 | 113 | N120 | F118-N120 VanDerWaalsContact C-N 3.32Å; F118-N120 PolarHBondContact O-N 3.34Å |
| 119 | I | 30.6 | Very low | 30.1 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 55% | 0.554 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.5 | -23.7 | -177.5 | -67.3 | 168.9 | 0 | 0 | 0 | 112.1 | A115 E117 K126 | A115-I119 WeakPolarHBondContact O-CD1 3.43Å; A115-I119 WeakPolarHBondContact O-CG1 3.21Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-I119 PolarHBondContact O-N 2.84Å; I119-K126 PolarHBondContact O-NZ 3.19Å |
| 120 | N | 29.3 | Very low | 30.4 | Very low | 152 Ų | 152 | 121.1 Ų | 121.1 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 0.2 | -174.4 | -86.4 | -24.8 | 0 | 0 | 0 | 115.6 | F118 | F118-N120 VanDerWaalsContact C-N 3.32Å; F118-N120 PolarHBondContact O-N 3.34Å |
| 121 | S | 27.3 | Very low | 30.6 | Very low | 71 Ų | 71 | 119.2 Ų | 119.2 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -102.5 | 146.2 | 176 | 65.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 122 | N | 33.2 | Very low | 30.7 | Very low | 151 Ų | 151 | 117 Ų | 117 | 81% | 0.807 | 60% | 0.601 | S | S | * | * | | | trans | -20.7 | 130.1 | -169.3 | -94.7 | -39.5 | 0 | 0 | 0 | 119.3 | A124 | N122-A124 PolarHBondContact O-N 3.47Š|
| 123 | R | 29.5 | Very low | 30.6 | Very low | 237 Ų | 237 | 110.9 Ų | 110.9 | 89% | 0.894 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -8 | -173.2 | -71.5 | -178.1 | 173.5 | -179.5 | -2.7 | 117.8 | | |
| 124 | A | 33.8 | Very low | 30.8 | Very low | 79 Ų | 79 | 109.3 Ų | 109.3 | 65% | 0.653 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -28.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N122 | N122-A124 PolarHBondContact O-N 3.47Š|
| 125 | N | 32 | Very low | 30.8 | Very low | 112 Ų | 112 | 105.6 Ų | 105.6 | 60% | 0.599 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -92.2 | -6.2 | -170.6 | -71.9 | -16.1 | 0 | 0 | 0 | 114.7 | Q128 F129 | N125-Q128 PolarHBondContact O-N 3.46Å; N125-F129 WeakPolarHBondContact O-CB 3.27Å; N125-F129 PolarHBondContact O-N 3.49Å |
| 126 | K | 29.7 | Very low | 30.9 | Very low | 98 Ų | 98 | 106.9 Ų | 106.9 | 43% | 0.426 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.3 | -41.3 | 179.3 | -71.2 | -173 | -180 | -178.6 | 0 | 112 | I119 V130 | I119-K126 PolarHBondContact O-NZ 3.19Å; K126-V130 WeakPolarHBondContact O-CB 3.23Å; K126-V130 WeakPolarHBondContact O-CG2 3.45Å; K126-V130 PolarHBondContact O-N 3.23Å |
| 127 | L | 32.3 | Very low | 30.8 | Very low | 128 Ų | 128 | 108.7 Ų | 108.7 | 67% | 0.67 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.6 | -41.1 | 177.7 | -145.4 | 92.1 | 0 | 0 | 0 | 111 | V130 L131 | L127-V130 PolarHBondContact O-N 3Å; L127-L131 HydrophobicContact CD2-CD1 4Å; L127-L131 HydrophobicContact CG-CD1 4.23Å; L127-L131 WeakPolarHBondContact O-CB 3.3Å; L127-L131 WeakPolarHBondContact O-CD1 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.32Å; L127-L131 PolarHBondContact O-N 3.2Å |
| 128 | Q | 34.9 | Very low | 30.9 | Very low | 99 Ų | 99 | 104.4 Ų | 104.4 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 178.3 | -169.5 | 64.9 | 54.3 | 0 | 0 | 112 | N125 L131 N132 | N125-Q128 PolarHBondContact O-N 3.46Å; Q128-L131 PolarHBondContact O-N 2.84Å; Q128-N132 PolarHBondContact NE2-OD1 3.38Å; Q128-N132 VanDerWaalsContact O-CB 3.29Å; Q128-N132 WeakPolarHBondContact O-CB 3.48Å; Q128-N132 PolarHBondContact O-N 3.36Å; Q128-N132 PolarHBondContact O-OD1 3.02Å |
| 129 | F | 32.1 | Very low | 30.8 | Very low | 126 Ų | 126 | 104.1 Ų | 104.1 | 55% | 0.553 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.4 | -44 | 175.3 | -177.9 | -94.7 | 0 | 0 | 0 | 111.7 | N125 N132 S133 | N125-F129 WeakPolarHBondContact O-CB 3.27Å; N125-F129 PolarHBondContact O-N 3.49Å; F129-N132 PolarHBondContact O-N 2.69Å; F129-S133 WeakPolarHBondContact O-CB 3.35Å; F129-S133 PolarHBondContact O-N 3.35Å; F129-S133 PolarHBondContact O-OG 2.88Å |
| 130 | V | 33.5 | Very low | 30.7 | Very low | 71 Ų | 71 | 103.9 Ų | 103.9 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 177.5 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | K126 L127 S133 M134 | K126-V130 WeakPolarHBondContact O-CB 3.23Å; K126-V130 WeakPolarHBondContact O-CG2 3.45Å; K126-V130 PolarHBondContact O-N 3.23Å; L127-V130 PolarHBondContact O-N 3Å; V130-S133 WeakPolarHBondContact CA-OG 3.47Å; V130-S133 PolarHBondContact O-OG 3.12Å; V130-S133 VanDerWaalsContact O-OG 3.13Å; V130-M134 HydrophobicContact CG1-CE 3.44Å; V130-M134 VanDerWaalsContact CG1-CE 3.44Å; V130-M134 WeakPolarHBondContact O-CB 3.32Å; V130-M134 PolarHBondContact O-N 3.17Å |
| 131 | L | 33.7 | Very low | 30.6 | Very low | 82 Ų | 82 | 103.3 Ų | 103.3 | 43% | 0.429 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 176.2 | -71.4 | 167.3 | 0 | 0 | 0 | 111.7 | L127 Q128 M134 T135 | L127-L131 HydrophobicContact CD2-CD1 4Å; L127-L131 HydrophobicContact CG-CD1 4.23Å; L127-L131 WeakPolarHBondContact O-CB 3.3Å; L127-L131 WeakPolarHBondContact O-CD1 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.32Å; L127-L131 PolarHBondContact O-N 3.2Å; Q128-L131 PolarHBondContact O-N 2.84Å; L131-M134 PolarHBondContact O-N 3.28Å; L131-T135 WeakPolarHBondContact O-CB 3.49Å; L131-T135 PolarHBondContact O-N 2.98Å; L131-T135 PolarHBondContact O-OG1 2.89Å |
| 132 | N | 33.6 | Very low | 30.8 | Very low | 82 Ų | 82 | 105.2 Ų | 105.2 | 44% | 0.439 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 176.8 | -71.7 | -2.9 | 0 | 0 | 0 | 111.9 | Q128 F129 T135 I136 | Q128-N132 PolarHBondContact NE2-OD1 3.38Å; Q128-N132 VanDerWaalsContact O-CB 3.29Å; Q128-N132 WeakPolarHBondContact O-CB 3.48Å; Q128-N132 PolarHBondContact O-N 3.36Å; Q128-N132 PolarHBondContact O-OD1 3.02Å; F129-N132 PolarHBondContact O-N 2.69Å; N132-T135 PolarHBondContact O-N 3.4Å; N132-I136 WeakPolarHBondContact O-CG1 3.4Å; N132-I136 PolarHBondContact O-N 3.48Å; N132-I136 VanDerWaalsContact O-N 3.14Å |
| 133 | S | 29.2 | Very low | 30.5 | Very low | 42 Ų | 42 | 100.1 Ų | 100.1 | 29% | 0.294 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.7 | -34.8 | 177.8 | 45 | 0 | 0 | 0 | 0 | 113.1 | F129 V130 N137 | F129-S133 WeakPolarHBondContact O-CB 3.35Å; F129-S133 PolarHBondContact O-N 3.35Å; F129-S133 PolarHBondContact O-OG 2.88Å; V130-S133 WeakPolarHBondContact CA-OG 3.47Å; V130-S133 PolarHBondContact O-OG 3.12Å; V130-S133 VanDerWaalsContact O-OG 3.13Å; S133-N137 PolarHBondContact O-N 3.49Å; S133-N137 VanDerWaalsContact O-N 3.11Å |
| 134 | M | 30.4 | Very low | 30.4 | Very low | 107 Ų | 107 | 96.4 Ų | 96.4 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 169.1 | -93.9 | -173.6 | -82 | 0 | 0 | 112.1 | V130 L131 I136 N137 S138 | V130-M134 HydrophobicContact CG1-CE 3.44Å; V130-M134 VanDerWaalsContact CG1-CE 3.44Å; V130-M134 WeakPolarHBondContact O-CB 3.32Å; V130-M134 PolarHBondContact O-N 3.17Å; L131-M134 PolarHBondContact O-N 3.28Å; M134-I136 VanDerWaalsContact C-N 3.35Å; M134-I136 PolarHBondContact O-N 3.45Å; M134-N137 PolarHBondContact O-N 3.04Å; M134-S138 PolarHBondContact O-N 2.94Å; M134-S138 PolarHBondContact O-OG 3.39Å; M134-S138 VanDerWaalsContact O-OG 3.09Å |
| 135 | T | 31.4 | Very low | 30.1 | Very low | 77 Ų | 77 | 98.7 Ų | 98.7 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | -178.7 | -49 | 0 | 0 | 0 | 0 | 111.5 | L131 N132 M139 | L131-T135 WeakPolarHBondContact O-CB 3.49Å; L131-T135 PolarHBondContact O-N 2.98Å; L131-T135 PolarHBondContact O-OG1 2.89Å; N132-T135 PolarHBondContact O-N 3.4Å; T135-M139 HydrophobicContact CG2-CE 4.09Å; T135-M139 WeakPolarHBondContact O-CG 3.33Å; T135-M139 PolarHBondContact O-N 2.9Å |
| 136 | I | 28.4 | Very low | 29.9 | Very low | 86 Ų | 86 | 98.3 Ų | 98.3 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.6 | -40.7 | 179.3 | -67.6 | 167.8 | 0 | 0 | 0 | 111.9 | N132 M134 S138 M139 L140 | N132-I136 WeakPolarHBondContact O-CG1 3.4Å; N132-I136 PolarHBondContact O-N 3.48Å; N132-I136 VanDerWaalsContact O-N 3.14Å; M134-I136 VanDerWaalsContact C-N 3.35Å; M134-I136 PolarHBondContact O-N 3.45Å; I136-S138 VanDerWaalsContact C-N 3.31Å; I136-S138 PolarHBondContact O-N 2.98Å; I136-M139 HydrophobicContact CG1-CE 3.97Å; I136-M139 PolarHBondContact O-N 3.04Å; I136-M139 VanDerWaalsContact O-N 3.14Å; I136-L140 HydrophobicContact CG2-CD1 3.69Å; I136-L140 HydrophobicContact CG2-CG 4.31Å; I136-L140 WeakPolarHBondContact O-CG 3.39Å; I136-L140 PolarHBondContact O-N 2.9Å |
| 137 | N | 26.3 | Very low | 29.6 | Very low | 94 Ų | 94 | 101 Ų | 101 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | 175.3 | -83.4 | -25.1 | 0 | 0 | 0 | 112.3 | S133 M134 Q141 | S133-N137 PolarHBondContact O-N 3.49Å; S133-N137 VanDerWaalsContact O-N 3.11Å; M134-N137 PolarHBondContact O-N 3.04Å; N137-Q141 WeakPolarHBondContact O-CB 3.33Å; N137-Q141 WeakPolarHBondContact O-CG 3.27Å; N137-Q141 PolarHBondContact O-N 2.64Å |
| 138 | S | 27.7 | Very low | 29.1 | Very low | 66 Ų | 66 | 104.5 Ų | 104.5 | 46% | 0.462 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70 | -30.5 | 173.3 | -59.3 | 0 | 0 | 0 | 0 | 113 | M134 I136 N142 | M134-S138 PolarHBondContact O-N 2.94Å; M134-S138 PolarHBondContact O-OG 3.39Å; M134-S138 VanDerWaalsContact O-OG 3.09Å; I136-S138 VanDerWaalsContact C-N 3.31Å; I136-S138 PolarHBondContact O-N 2.98Å; S138-N142 VanDerWaalsContact O-CB 3.28Å; S138-N142 WeakPolarHBondContact O-CB 3.37Å; S138-N142 VanDerWaalsContact O-CG 3.24Å; S138-N142 PolarHBondContact O-N 3.13Å; S138-N142 PolarHBondContact O-ND2 2.73Å |
| 139 | M | 29 | Very low | 28.6 | Very low | 119 Ų | 119 | 104.6 Ų | 104.6 | 59% | 0.586 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.8 | -35.5 | 174.4 | -73.6 | -174.6 | -62.8 | 0 | 0 | 112.6 | T135 I136 G143 | T135-M139 HydrophobicContact CG2-CE 4.09Å; T135-M139 WeakPolarHBondContact O-CG 3.33Å; T135-M139 PolarHBondContact O-N 2.9Å; I136-M139 HydrophobicContact CG1-CE 3.97Å; I136-M139 PolarHBondContact O-N 3.04Å; I136-M139 VanDerWaalsContact O-N 3.14Å; M139-G143 PolarHBondContact O-N 3.14Å |
| 140 | L | 27.4 | Very low | 28.2 | Very low | 102 Ų | 102 | 103.9 Ų | 103.9 | 53% | 0.534 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -79.1 | -38.8 | -179.5 | -69.7 | 170.4 | 0 | 0 | 0 | 112.6 | I136 N142 G143 | I136-L140 HydrophobicContact CG2-CD1 3.69Å; I136-L140 HydrophobicContact CG2-CG 4.31Å; I136-L140 WeakPolarHBondContact O-CG 3.39Å; I136-L140 PolarHBondContact O-N 2.9Å; L140-N142 VanDerWaalsContact C-N 3.26Å; L140-N142 PolarHBondContact O-N 3.19Å; L140-G143 PolarHBondContact O-N 3.27Å |
| 141 | Q | 28.4 | Very low | 27.6 | Very low | 141 Ų | 141 | 108.6 Ų | 108.6 | 66% | 0.659 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.2 | -25.1 | 173.1 | -74 | -178.8 | -9.7 | 0 | 0 | 113 | N137 | N137-Q141 WeakPolarHBondContact O-CB 3.33Å; N137-Q141 WeakPolarHBondContact O-CG 3.27Å; N137-Q141 PolarHBondContact O-N 2.64Å |
| 142 | N | 30.1 | Very low | 27.1 | Very low | 110 Ų | 110 | 112.1 Ų | 112.1 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -4.7 | 174.5 | -72.1 | -40.8 | 0 | 0 | 0 | 113.8 | S138 L140 | S138-N142 VanDerWaalsContact O-CB 3.28Å; S138-N142 WeakPolarHBondContact O-CB 3.37Å; S138-N142 VanDerWaalsContact O-CG 3.24Å; S138-N142 PolarHBondContact O-N 3.13Å; S138-N142 PolarHBondContact O-ND2 2.73Å; L140-N142 VanDerWaalsContact C-N 3.26Å; L140-N142 PolarHBondContact O-N 3.19Å |
| 143 | G | 27.3 | Very low | 26.5 | Very low | 44 Ų | 44 | 114.6 Ų | 114.6 | 45% | 0.454 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94 | -13.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M139 L140 T146 | M139-G143 PolarHBondContact O-N 3.14Å; L140-G143 PolarHBondContact O-N 3.27Å; G143-T146 PolarHBondContact O-OG1 3.2Å |
| 144 | E | 26.8 | Very low | 26.3 | Very low | 159 Ų | 159 | 117.4 Ų | 117.4 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 15 | -168.6 | -132.4 | 176.5 | -171.2 | 0 | 0 | 114.6 | | |
| 145 | T | 28.5 | Very low | 25.9 | Very low | 128 Ų | 128 | 118 Ų | 118 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 2.4 | 172.5 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 146 | T | 26.6 | Very low | 25.6 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 63% | 0.632 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -105.9 | 108.5 | 170.6 | 33.1 | 0 | 0 | 0 | 0 | 110.5 | G143 | G143-T146 PolarHBondContact O-OG1 3.2Š|
| 147 | N | 24.9 | Very low | 25.3 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | | | trans | 86.5 | 92.5 | 165 | -55.3 | -33.6 | 0 | 0 | 0 | 117.4 | S149 | N147-S149 PolarHBondContact O-N 3.08Å; N147-S149 VanDerWaalsContact O-N 3.07Å |
| 148 | H | 21.8 | Very low | 25.1 | Very low | 203 Ų | 203 | 125.6 Ų | 125.6 | 94% | 0.94 | 71% | 0.705 | S | S | * | * | | | trans | -49.5 | 106.1 | 139 | -72.6 | -69.7 | 0 | 0 | 0 | 110.4 | | |
| 149 | S | 23.1 | Very low | 24.9 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | | | | -179.7 | 117 | 125.2 | -165.5 | 0 | 0 | 0 | 0 | 109.4 | N147 | N147-S149 PolarHBondContact O-N 3.08Å; N147-S149 VanDerWaalsContact O-N 3.07Å |
| 150 | P | 23.6 | Very low | 24.7 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | | | trans | -87.2 | 114.1 | -178.1 | 33.2 | -27.7 | 0 | 0 | 0 | 109.7 | | |
| 151 | L | 22.2 | Very low | 24.7 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | | | trans | -116 | 98.4 | 152.7 | -115.9 | 89.4 | 0 | 0 | 0 | 108.8 | N153 | L151-N153 PolarHBondContact O-N 3.45Š|
| 152 | I | 22.5 | Very low | 24.3 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | | | trans | -55 | 120.7 | 172.4 | -55.7 | 156.5 | 0 | 0 | 0 | 108 | | |
| 153 | N | 22.1 | Very low | 24.1 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | | | trans | -122 | 109.2 | 157.1 | -158 | -6.3 | 0 | 0 | 0 | 108.4 | L151 T155 | L151-N153 PolarHBondContact O-N 3.45Å; N153-T155 PolarHBondContact O-N 3.34Å; N153-T155 VanDerWaalsContact O-N 3.17Å |
| 154 | S | 23.8 | Very low | 23.8 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 91.4 | -177.4 | 57.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 155 | T | 22.8 | Very low | 23.6 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.9 | -2.4 | 163.5 | 12.1 | 0 | 0 | 0 | 0 | 116.2 | N153 | N153-T155 PolarHBondContact O-N 3.34Å; N153-T155 VanDerWaalsContact O-N 3.17Å |
| 156 | T | 23.7 | Very low | 23.5 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | -98.3 | 126.4 | 177.2 | 41.9 | 0 | 0 | 0 | 0 | 111.5 | S158 | T156-S158 PolarHBondContact O-N 2.89Š|
| 157 | H | 23 | Very low | 23.3 | Very low | 197 Ų | 197 | 134.5 Ų | 134.5 | 91% | 0.912 | 76% | 0.756 | S | S | * | * | | | trans | -63.3 | 81.5 | 169.7 | -65.1 | -80.5 | 0 | 0 | 0 | 110 | | |
| 158 | S | 22.8 | Very low | 23.3 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | | | trans | -66.6 | 136.7 | 160.5 | 39.2 | 0 | 0 | 0 | 0 | 108.3 | T156 Q160 | T156-S158 PolarHBondContact O-N 2.89Å; S158-Q160 VanDerWaalsContact C-N 3.26Å; S158-Q160 PolarHBondContact O-N 3.05Å |
| 159 | L | 23.3 | Very low | 23.5 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -51.8 | 98.7 | 160.9 | -86.9 | 154.3 | 0 | 0 | 0 | 107.1 | T161 | L159-T161 PolarHBondContact O-N 2.85Š|
| 160 | Q | 23.4 | Very low | 23.5 | Very low | 167 Ų | 167 | 135 Ų | 135 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | | | trans | -72.9 | 80.7 | 170.9 | -172.9 | 169.6 | -13.7 | 0 | 0 | 106.3 | S158 D162 | S158-Q160 VanDerWaalsContact C-N 3.26Å; S158-Q160 PolarHBondContact O-N 3.05Å; Q160-D162 PolarHBondContact O-N 2.87Å |
| 161 | T | 27 | Very low | 23.6 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | | | trans | -70.3 | 113.6 | 154 | 39.7 | 0 | 0 | 0 | 0 | 105.6 | L159 L163 | L159-T161 PolarHBondContact O-N 2.85Å; T161-L163 VanDerWaalsContact C-N 3.34Å; T161-L163 PolarHBondContact O-N 3.11Å |
| 162 | D | 21.7 | Very low | 23.6 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 47% | 0.471 | 75% | 0.75 | S | S | . | * | | | trans | -49.1 | 104.4 | 166.9 | -78.8 | -24.8 | 0 | 0 | 0 | 107.5 | K111 Q160 I164 | K111-D162 WeakPolarHBondContact CE-OD2 3.26Å; K111-D162 IonicContact NZ-OD2 2.64Å; K111-D162 PolarHBondContact NZ-OD2 3.39Å; Q160-D162 PolarHBondContact O-N 2.87Å; D162-I164 PolarHBondContact O-N 3.11Å |
| 163 | L | 24.3 | Very low | 23.6 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | | | trans | -62.8 | 93.6 | 161.2 | -81.6 | 156.2 | 0 | 0 | 0 | 105 | T161 G165 | T161-L163 VanDerWaalsContact C-N 3.34Å; T161-L163 PolarHBondContact O-N 3.11Å; L163-G165 PolarHBondContact O-N 3.11Å |
| 164 | I | 22.7 | Very low | 23.6 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 82% | 0.821 | 74% | 0.739 | S | S | * | * | | | trans | -69.7 | 90.9 | 160.7 | -55.1 | 176 | 0 | 0 | 0 | 103.9 | D162 | D162-I164 PolarHBondContact O-N 3.11Š|
| 165 | G | 22.3 | Very low | 23.7 | Very low | 45 Ų | 45 | 136 Ų | 136 | 46% | 0.464 | 74% | 0.744 | S | S | . | * | | | trans | -52.7 | 146.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | L163 E167 | L163-G165 PolarHBondContact O-N 3.11Å; G165-E167 PolarHBondContact O-N 3.05Å |
| 166 | A | 25.7 | Very low | 23.6 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | | | trans | -69.7 | 67.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | N168 | A166-N168 VanDerWaalsContact C-N 3.3Å; A166-N168 PolarHBondContact O-N 3.45Å |
| 167 | E | 23.4 | Very low | 23.7 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | trans | -94.7 | 68.2 | 165.5 | -65.2 | -166.8 | -156.7 | 0 | 0 | 107.3 | G165 | G165-E167 PolarHBondContact O-N 3.05Š|
| 168 | N | 24.2 | Very low | 23.8 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | trans | -166.4 | 94 | 160.2 | -88.7 | -40.3 | 0 | 0 | 0 | 108.1 | A166 Q170 | A166-N168 VanDerWaalsContact C-N 3.3Å; A166-N168 PolarHBondContact O-N 3.45Å; N168-Q170 PolarHBondContact O-N 3.03Å; N168-Q170 VanDerWaalsContact O-N 3.13Å |
| 169 | D | 26.4 | Very low | 23.9 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -66.3 | -2.5 | 173.1 | -87.7 | -32.8 | 0 | 0 | 0 | 113.6 | | |
| 170 | Q | 23.4 | Very low | 23.9 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -148.7 | 118.1 | 171.2 | -66.4 | -162.4 | -12.3 | 0 | 0 | 110.9 | N168 | N168-Q170 PolarHBondContact O-N 3.03Å; N168-Q170 VanDerWaalsContact O-N 3.13Å |
| 171 | V | 24.5 | Very low | 24 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | | | trans | -100 | 97.6 | 161.4 | 179 | 0 | 0 | 0 | 0 | 106.9 | I173 | V171-I173 HydrophobicContact CG1-CG1 4.16Å; V171-I173 PolarHBondContact O-N 3.44Å |
| 172 | E | 21.8 | Very low | 23.9 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | | | trans | -79.2 | 106.6 | 171.9 | -160.8 | 176.4 | -155 | 0 | 0 | 108.6 | S174 | E172-S174 PolarHBondContact O-N 3.44Š|
| 173 | I | 23.9 | Very low | 24.1 | Very low | 135 Ų | 135 | 140 Ų | 140 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | trans | -83.3 | 93 | 174 | -55.8 | 175.7 | 0 | 0 | 0 | 107.6 | V171 Q175 | V171-I173 HydrophobicContact CG1-CG1 4.16Å; V171-I173 PolarHBondContact O-N 3.44Å; I173-Q175 HydrophobicContact CG2-CG 4.25Å; I173-Q175 PolarHBondContact O-N 3.14Å; I173-Q175 VanDerWaalsContact O-N 3.08Å |
| 174 | S | 21.5 | Very low | 24.3 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | | | trans | -67.1 | 102.3 | 168.8 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | E172 H176 | E172-S174 PolarHBondContact O-N 3.44Å; S174-H176 VanDerWaalsContact C-N 3.31Å; S174-H176 PolarHBondContact O-N 3.09Å |
| 175 | Q | 25.7 | Very low | 24.5 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -86.3 | 73.4 | 165.5 | -67.5 | -170.9 | 43.4 | 0 | 0 | 109.5 | I173 S177 | I173-Q175 HydrophobicContact CG2-CG 4.25Å; I173-Q175 PolarHBondContact O-N 3.14Å; I173-Q175 VanDerWaalsContact O-N 3.08Å; Q175-S177 PolarHBondContact O-N 3.11Å |
| 176 | H | 21.7 | Very low | 24.7 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | -92.2 | 87.8 | 162.7 | -84.4 | -16.2 | 0 | 0 | 0 | 110 | S174 | S174-H176 VanDerWaalsContact C-N 3.31Å; S174-H176 PolarHBondContact O-N 3.09Å |
| 177 | S | 24.7 | Very low | 24.6 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -154.4 | 99.9 | 161.9 | -51 | 0 | 0 | 0 | 0 | 110.3 | Q175 | Q175-S177 PolarHBondContact O-N 3.11Š|
| 178 | H | 25.6 | Very low | 24.7 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | | | trans | 71.5 | 86.1 | 158.8 | -48.6 | -60.4 | 0 | 0 | 0 | 119 | L180 | H178-L180 PolarHBondContact O-N 2.95Š|
| 179 | S | 23.9 | Very low | 24.7 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | -51 | 118.7 | 146.9 | 163.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 180 | L | 24.9 | Very low | 24.6 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | trans | -134.1 | 77.7 | 149.9 | -111.2 | 112 | 0 | 0 | 0 | 108.1 | H178 N182 | H178-L180 PolarHBondContact O-N 2.95Å; L180-N182 PolarHBondContact O-N 3.37Å |
| 181 | T | 24.2 | Very low | 24.6 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | trans | -69.3 | 104.8 | 162.7 | 42.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 182 | N | 24.7 | Very low | 24.7 | Very low | 122 Ų | 122 | 144 Ų | 144 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | | | trans | -128.3 | 122.6 | 146.9 | -86.7 | -30.3 | 0 | 0 | 0 | 103.5 | L180 | L180-N182 PolarHBondContact O-N 3.37Š|
| 183 | H | 25.9 | Very low | 24.8 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | | -151.3 | 131.1 | 61.5 | -65.1 | -77.8 | 0 | 0 | 0 | 112.2 | | |
| 184 | L | 28.4 | Very low | 25.1 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -73.3 | 135.1 | 159.3 | -149.3 | 75.5 | 0 | 0 | 0 | 108.6 | H186 | L184-H186 PolarHBondContact O-N 3.1Š|
| 185 | P | 28 | Very low | 25.3 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -75.9 | 121.3 | 171.1 | 30 | -28.8 | 0 | 0 | 0 | 109.5 | | |
| 186 | H | 26.5 | Very low | 25.4 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | | | trans | 38.6 | 105.1 | 156.1 | -59.9 | -19.6 | 0 | 0 | 0 | 119 | L184 | L184-H186 PolarHBondContact O-N 3.1Š|
| 187 | S | 24 | Very low | 25.6 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -163.9 | 117.9 | 137 | -90.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 188 | Y | 24.5 | Very low | 25.6 | Very low | 225 Ų | 225 | 150.7 Ų | 150.7 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | | | trans | 65.8 | 120.9 | 153.8 | -69.7 | -87.3 | 0 | 0 | 0 | 122.7 | | |
| 189 | S | 24.1 | Very low | 25.5 | Very low | 101 Ų | 101 | 150 Ų | 150 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | 91.5 | 108.7 | 134 | -136.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 190 | T | 25 | Very low | 25.4 | Very low | 109 Ų | 109 | 153.8 Ų | 153.8 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | | | trans | 42.4 | 134.6 | 130.6 | 60.2 | 0 | 0 | 0 | 0 | 123 | | |
| 191 | Y | 23.5 | Very low | 25.4 | Very low | 217 Ų | 217 | 152.9 Ų | 152.9 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | 103.7 | 113.7 | 153.7 | -75.7 | -82.5 | 0 | 0 | 0 | 119.5 | | |
| 192 | S | 26.5 | Very low | 25.3 | Very low | 94 Ų | 94 | 154.5 Ų | 154.5 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | | | trans | 80.2 | 111.4 | 131.5 | -126.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 193 | Q | 24.4 | Very low | 25.3 | Very low | 177 Ų | 177 | 155.3 Ų | 155.3 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | | 37.1 | 115.3 | 125.8 | -60 | -177.9 | -6.4 | 0 | 0 | 119.1 | | |
| 194 | H | 28.7 | Very low | 25.2 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | | -150.5 | 115.5 | 129.3 | -127.3 | -69.6 | 0 | 0 | 0 | 111.6 | | |
| 195 | N | 25.6 | Very low | 25 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | -70.3 | 123.3 | 168.9 | -76.8 | -39.3 | 0 | 0 | 0 | 109.9 | | |
| 196 | Q | 28.8 | Very low | 24.8 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -138.5 | 130.1 | 150.2 | -81.4 | -166.2 | -16.3 | 0 | 0 | 108.1 | Q198 | Q196-Q198 VanDerWaalsContact C-N 3.28Å; Q196-Q198 PolarHBondContact O-N 3.39Å |
| 197 | P | 25.6 | Very low | 24.7 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | | | trans | -74.9 | 89 | 168 | 30.3 | -28.2 | 0 | 0 | 0 | 107.7 | | |
| 198 | Q | 25.7 | Very low | 24.7 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | trans | -81.9 | 125 | 173.5 | -151.6 | 172 | 9.8 | 0 | 0 | 108 | Q196 Q200 | Q196-Q198 VanDerWaalsContact C-N 3.28Å; Q196-Q198 PolarHBondContact O-N 3.39Å; Q198-Q200 PolarHBondContact O-N 3.11Å |
| 199 | L | 23.2 | Very low | 24.7 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -45.8 | 112.4 | 172.7 | -78.8 | 149 | 0 | 0 | 0 | 109.6 | I201 | L199-I201 PolarHBondContact O-N 2.88Š|
| 200 | Q | 22.3 | Very low | 24.7 | Very low | 182 Ų | 182 | 150.8 Ų | 150.8 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -67.2 | 89 | 167.8 | -99.1 | 177 | -2 | 0 | 0 | 107.9 | Q198 L202 | Q198-Q200 PolarHBondContact O-N 3.11Å; Q200-L202 PolarHBondContact O-N 2.64Å |
| 201 | I | 23.3 | Very low | 24.7 | Very low | 142 Ų | 142 | 152.7 Ų | 152.7 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | | | trans | -67.9 | 105.9 | 154 | -59.6 | 175.6 | 0 | 0 | 0 | 104 | L199 D203 | L199-I201 PolarHBondContact O-N 2.88Å; I201-D203 PolarHBondContact O-N 2.74Å |
| 202 | L | 22.3 | Very low | 24.7 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | | | trans | -59.1 | 105.7 | 166.4 | -82.7 | 118.3 | 0 | 0 | 0 | 106.9 | Q200 | Q200-L202 PolarHBondContact O-N 2.64Š|
| 203 | D | 24.4 | Very low | 24.7 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | -53.3 | 129.3 | 166.1 | -80.1 | -39.3 | 0 | 0 | 0 | 107.7 | I201 S205 | I201-D203 PolarHBondContact O-N 2.74Å; D203-S205 PolarHBondContact O-N 3.05Å; D203-S205 VanDerWaalsContact O-N 3.16Å |
| 204 | P | 24.1 | Very low | 24.7 | Very low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | trans | -55.8 | 128.5 | 173.9 | 21.9 | -29.7 | 0 | 0 | 0 | 107.9 | K206 | P204-K206 PolarHBondContact O-N 3.29Š|
| 205 | S | 24.2 | Very low | 24.7 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -41.3 | 126.2 | 176.4 | -157 | 0 | 0 | 0 | 0 | 109 | D203 V207 | D203-S205 PolarHBondContact O-N 3.05Å; D203-S205 VanDerWaalsContact O-N 3.16Å; S205-V207 VanDerWaalsContact C-N 3.27Å; S205-V207 WeakPolarHBondContact O-CG2 3.44Å; S205-V207 PolarHBondContact O-N 2.75Å |
| 206 | K | 25 | Very low | 24.8 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | | | trans | -54.4 | 93.2 | 178.9 | -75.6 | -178.5 | 178.5 | 178.7 | 0 | 108.8 | P204 Q208 | P204-K206 PolarHBondContact O-N 3.29Å; K206-Q208 PolarHBondContact O-N 3.14Å |
| 207 | V | 23.3 | Very low | 24.7 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -66.9 | 119.1 | 166.1 | -173.2 | 0 | 0 | 0 | 0 | 104.3 | S205 S209 | S205-V207 VanDerWaalsContact C-N 3.27Å; S205-V207 WeakPolarHBondContact O-CG2 3.44Å; S205-V207 PolarHBondContact O-N 2.75Å; V207-S209 PolarHBondContact O-N 3.42Å; V207-S209 VanDerWaalsContact O-N 3.17Å |
| 208 | Q | 23.8 | Very low | 24.9 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -47.5 | 127.7 | 170.3 | -81.2 | 177.4 | -26.6 | 0 | 0 | 107.7 | K206 V210 | K206-Q208 PolarHBondContact O-N 3.14Å; Q208-V210 PolarHBondContact O-N 3.37Å |
| 209 | S | 24.4 | Very low | 24.9 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | -49.7 | 110.3 | 171.9 | 50.4 | 0 | 0 | 0 | 0 | 107.5 | V207 Q211 | V207-S209 PolarHBondContact O-N 3.42Å; V207-S209 VanDerWaalsContact O-N 3.17Å; S209-Q211 PolarHBondContact O-N 2.82Å |
| 210 | V | 24.4 | Very low | 25.1 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | | | trans | -59.7 | 110.9 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 105 | Q208 Q212 | Q208-V210 PolarHBondContact O-N 3.37Å; V210-Q212 PolarHBondContact O-N 3.2Å |
| 211 | Q | 24.6 | Very low | 25.3 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | | | trans | -52.9 | 110.6 | 176.8 | -172.6 | 171.6 | -0.3 | 0 | 0 | 107.1 | S209 S213 | S209-Q211 PolarHBondContact O-N 2.82Å; Q211-S213 PolarHBondContact O-N 3.42Å; Q211-S213 VanDerWaalsContact O-N 3.11Å |
| 212 | Q | 24.4 | Very low | 25.4 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | -51.1 | 122 | 177.4 | -93.1 | 177.7 | -30.9 | 0 | 0 | 107.8 | V210 S214 | V210-Q212 PolarHBondContact O-N 3.2Å; Q212-S214 PolarHBondContact O-N 3.38Å |
| 213 | S | 25.5 | Very low | 25.6 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | trans | -59.4 | 110.9 | 175 | -47.9 | 0 | 0 | 0 | 0 | 108 | Q211 I215 | Q211-S213 PolarHBondContact O-N 3.42Å; Q211-S213 VanDerWaalsContact O-N 3.11Å; S213-I215 PolarHBondContact O-N 2.88Å |
| 214 | S | 24.7 | Very low | 25.5 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -74.1 | 123 | 169.5 | 51.7 | 0 | 0 | 0 | 0 | 108.3 | Q212 S216 | Q212-S214 PolarHBondContact O-N 3.38Å; S214-S216 PolarHBondContact O-N 3.13Å; S214-S216 VanDerWaalsContact O-N 3.11Å |
| 215 | I | 29.8 | Very low | 25.5 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | | | trans | -74.9 | 101.4 | 169.6 | -62.8 | 171.1 | 0 | 0 | 0 | 106.5 | S213 G217 | S213-I215 PolarHBondContact O-N 2.88Å; I215-G217 PolarHBondContact O-N 2.64Å |
| 216 | S | 26.2 | Very low | 25.5 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -84.6 | 89.5 | 173.2 | 159 | 0 | 0 | 0 | 0 | 109.2 | S214 | S214-S216 PolarHBondContact O-N 3.13Å; S214-S216 VanDerWaalsContact O-N 3.11Å |
| 217 | G | 27.6 | Very low | 25.4 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | 85.8 | 132.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I215 | I215-G217 PolarHBondContact O-N 2.64Š|
| 218 | I | 29.6 | Very low | 25.5 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 61% | 0.605 | 77% | 0.768 | S | S | * | * | | | trans | -102.3 | 109.2 | 165.2 | -58.6 | 171.2 | 0 | 0 | 0 | 105.7 | Y220 | I218-Y220 HydrophobicContact CB-CE2 4.02Å; I218-Y220 HydrophobicContact CG2-CD2 3.93Å; I218-Y220 HydrophobicContact CG2-CE1 4.36Å; I218-Y220 HydrophobicContact CG2-CE2 3.49Å; I218-Y220 VanDerWaalsContact CG2-CE2 3.49Å; I218-Y220 PolarHBondContact O-N 3.23Å |
| 219 | N | 25.7 | Very low | 25.4 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -84.8 | 108.7 | 172.5 | -84.5 | -26.9 | 0 | 0 | 0 | 109.1 | | |
| 220 | Y | 27 | Very low | 25.5 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -81.7 | 113.9 | 169.8 | -69.3 | -89.5 | 0 | 0 | 0 | 108.9 | I218 P222 | I218-Y220 HydrophobicContact CB-CE2 4.02Å; I218-Y220 HydrophobicContact CG2-CD2 3.93Å; I218-Y220 HydrophobicContact CG2-CE1 4.36Å; I218-Y220 HydrophobicContact CG2-CE2 3.49Å; I218-Y220 VanDerWaalsContact CG2-CE2 3.49Å; I218-Y220 PolarHBondContact O-N 3.23Å; Y220-P222 VanDerWaalsContact O-CD 3.28Å; Y220-P222 WeakPolarHBondContact O-CD 3.45Å |
| 221 | H | 26.5 | Very low | 25.5 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | | | trans | -87.9 | 108.7 | 161.7 | -83.4 | -69.9 | 0 | 0 | 0 | 108 | | |
| 222 | P | 25 | Very low | 25.6 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | | | trans | -63.5 | 140.5 | 170.5 | 25.7 | -31.4 | 0 | 0 | 0 | 108.9 | Y220 T224 | Y220-P222 VanDerWaalsContact O-CD 3.28Å; Y220-P222 WeakPolarHBondContact O-CD 3.45Å; P222-T224 PolarHBondContact O-N 3.35Å; P222-T224 VanDerWaalsContact O-N 3.14Å |
| 223 | P | 27.4 | Very low | 25.6 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | | | trans | -60.8 | 119.6 | 171.8 | 23.7 | -30.3 | 0 | 0 | 0 | 108.8 | V225 | P223-V225 PolarHBondContact O-N 2.98Š|
| 224 | T | 22.7 | Very low | 25.7 | Very low | 137 Ų | 137 | 132 Ų | 132 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | -66.9 | 105 | 168.2 | 23.8 | 0 | 0 | 0 | 0 | 108.7 | P222 S226 | P222-T224 PolarHBondContact O-N 3.35Å; P222-T224 VanDerWaalsContact O-N 3.14Å; T224-S226 PolarHBondContact O-N 2.68Å |
| 225 | V | 24.1 | Very low | 25.9 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | | | trans | -84.2 | 84.5 | 172.2 | -163.3 | 0 | 0 | 0 | 0 | 107.7 | P223 | P223-V225 PolarHBondContact O-N 2.98Š|
| 226 | S | 23.9 | Very low | 25.8 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | trans | -90.5 | 112.6 | 165.6 | 59.6 | 0 | 0 | 0 | 0 | 108.8 | T224 | T224-S226 PolarHBondContact O-N 2.68Š|
| 227 | E | 23.2 | Very low | 25.9 | Very low | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 48.1 | 99.7 | 158.4 | -60.8 | -177.7 | 179.2 | 0 | 0 | 117.5 | L229 | E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.08Å |
| 228 | N | 24.7 | Very low | 25.9 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 93% | 0.93 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 57.3 | 16.7 | 146.7 | -85.2 | -12.7 | 0 | 0 | 0 | 120.9 | | |
| 229 | L | 22.9 | Very low | 25.8 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | | | trans | -127.3 | 102.8 | 164.4 | -81.7 | 153.9 | 0 | 0 | 0 | 109.4 | E227 T231 | E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.08Å; L229-T231 PolarHBondContact O-N 3.44Å |
| 230 | V | 24.6 | Very low | 25.9 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 89% | 0.891 | 71% | 0.708 | S | S | * | * | | | trans | -69.3 | 79.6 | 159.4 | -176.8 | 0 | 0 | 0 | 0 | 106.4 | | |
| 231 | T | 24.7 | Very low | 25.9 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 66% | 0.656 | 69% | 0.691 | S | S | * | * | | | trans | -69.1 | 133.7 | 158.4 | 42.6 | 0 | 0 | 0 | 0 | 106.3 | L229 G233 | L229-T231 PolarHBondContact O-N 3.44Å; T231-G233 VanDerWaalsContact C-N 3.25Å; T231-G233 PolarHBondContact O-N 2.76Å |
| 232 | N | 27.4 | Very low | 25.8 | Very low | 159 Ų | 159 | 117.8 Ų | 117.8 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | | | trans | -50.7 | 92.3 | 173.5 | -78.7 | -30 | 0 | 0 | 0 | 109.2 | Q234 | N232-Q234 PolarHBondContact O-N 3.05Š|
| 233 | G | 23.7 | Very low | 25.8 | Very low | 61 Ų | 61 | 116.6 Ų | 116.6 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | | | trans | -73.5 | 97.7 | -174 | 0 | 0 | 0 | 0 | 0 | 108.2 | T231 T235 | T231-G233 VanDerWaalsContact C-N 3.25Å; T231-G233 PolarHBondContact O-N 2.76Å; G233-T235 PolarHBondContact O-N 3.18Å; G233-T235 VanDerWaalsContact O-N 3.08Å |
| 234 | Q | 28.6 | Very low | 25.8 | Very low | 139 Ų | 139 | 116.7 Ų | 116.7 | 65% | 0.65 | 67% | 0.669 | S | S | * | * | | | trans | -54.2 | 115.1 | 164.3 | -70.4 | 171.9 | 6.5 | 0 | 0 | 107.1 | N232 H236 | N232-Q234 PolarHBondContact O-N 3.05Å; Q234-H236 PolarHBondContact O-CD2 3.37Å; Q234-H236 PolarHBondContact O-N 3.27Å; Q234-H236 VanDerWaalsContact O-N 3.11Å |
| 235 | T | 29.3 | Very low | 25.9 | Very low | 84 Ų | 84 | 114.2 Ų | 114.2 | 52% | 0.515 | 67% | 0.671 | S | S | . | * | | | trans | -73.2 | 101.9 | 171.3 | -45.5 | 0 | 0 | 0 | 0 | 107.1 | G233 Y237 | G233-T235 PolarHBondContact O-N 3.18Å; G233-T235 VanDerWaalsContact O-N 3.08Å; T235-Y237 HydrophobicContact CG2-CD2 4.46Å; T235-Y237 HydrophobicContact CG2-CE1 4.15Å; T235-Y237 HydrophobicContact CG2-CE2 3.86Å; T235-Y237 PolarHBondContact O-N 2.97Å |
| 236 | H | 27.9 | Very low | 25.9 | Very low | 123 Ų | 123 | 111.4 Ų | 111.4 | 57% | 0.569 | 65% | 0.654 | S | S | * | * | | | trans | -81.3 | 108.8 | 175.7 | -68.2 | -103.4 | 0 | 0 | 0 | 109 | Q234 | Q234-H236 PolarHBondContact O-CD2 3.37Å; Q234-H236 PolarHBondContact O-N 3.27Å; Q234-H236 VanDerWaalsContact O-N 3.11Å |
| 237 | Y | 28.3 | Very low | 26.1 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 49% | 0.494 | 65% | 0.646 | S | S | . | * | | | trans | -85.4 | 112.5 | 170.2 | -62.4 | -83.3 | 0 | 0 | 0 | 109.4 | T235 | T235-Y237 HydrophobicContact CG2-CD2 4.46Å; T235-Y237 HydrophobicContact CG2-CE1 4.15Å; T235-Y237 HydrophobicContact CG2-CE2 3.86Å; T235-Y237 PolarHBondContact O-N 2.97Å |
| 238 | L | 26.5 | Very low | 26.6 | Very low | 119 Ų | 119 | 109.3 Ų | 109.3 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | | | trans | -88 | 108 | 165.2 | -101.1 | 88.4 | 0 | 0 | 0 | 109 | I253 | L238-I253 HydrophobicContact CD2-CG2 4.43Š|
| 239 | I | 28.7 | Very low | 26.7 | Very low | 118 Ų | 118 | 105.3 Ų | 105.3 | 61% | 0.605 | 63% | 0.634 | S | S | * | * | | | trans | -87.9 | 107.4 | 165.1 | -59.8 | 173.2 | 0 | 0 | 0 | 106.8 | F254 I258 | I239-F254 VanDerWaalsContact O-CD2 3.23Å; I239-F254 WeakPolarHBondContact O-CD2 3.28Å; I239-I258 HydrophobicContact CD1-CD1 4.5Å |
| 240 | T | 26.8 | Very low | 27 | Very low | 87 Ų | 87 | 105.1 Ų | 105.1 | 53% | 0.534 | 63% | 0.629 | S | S | . | * | | | trans | -97 | 96.8 | 170.4 | 51.4 | 0 | 0 | 0 | 0 | 109.2 | T251 | T240-T251 HydrophobicContact CG2-CG2 4.36Š|
| 241 | G | 26.4 | Very low | 27.2 | Very low | 35 Ų | 35 | 103.5 Ų | 103.5 | 36% | 0.361 | 62% | 0.619 | S | S | . | * | | | trans | -97.9 | 116.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P243 F254 | G241-P243 VanDerWaalsContact O-CD 3.3Å; G241-P243 WeakPolarHBondContact O-CD 3.4Å; G241-F254 WeakPolarHBondContact O-CE2 3.37Å |
| 242 | A | 24.3 | Very low | 27.3 | Very low | 78 Ų | 78 | 101.6 Ų | 101.6 | 65% | 0.645 | 61% | 0.608 | S | S | * | * | | | trans | -80.7 | 115.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | N244 | A242-N244 PolarHBondContact O-N 2.91Š|
| 243 | P | 26.2 | Very low | 27.3 | Very low | 80 Ų | 80 | 99.7 Ų | 99.7 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | | | trans | -61 | 134 | 168.5 | 23.8 | -29 | 0 | 0 | 0 | 108.4 | G241 G245 T246 | G241-P243 VanDerWaalsContact O-CD 3.3Å; G241-P243 WeakPolarHBondContact O-CD 3.4Å; P243-G245 PolarHBondContact O-N 2.81Å; P243-T246 PolarHBondContact O-N 2.87Å; P243-T246 PolarHBondContact O-OG1 3.2Å |
| 244 | N | 25.9 | Very low | 27.5 | Very low | 117 Ų | 117 | 101.6 Ų | 101.6 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48 | 115.3 | 176.2 | -82.1 | -20.8 | 0 | 0 | 0 | 109.7 | A242 | A242-N244 PolarHBondContact O-N 2.91Š|
| 245 | G | 25.4 | Very low | 27.3 | Very low | 84 Ų | 84 | 99.2 Ų | 99.2 | 87% | 0.866 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.6 | -3.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | P243 | P243-G245 PolarHBondContact O-N 2.81Š|
| 246 | T | 25.1 | Very low | 27.2 | Very low | 79 Ų | 79 | 100 Ų | 100 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -111.5 | 130.7 | 175.5 | 42.3 | 0 | 0 | 0 | 0 | 112.8 | P243 | P243-T246 PolarHBondContact O-N 2.87Å; P243-T246 PolarHBondContact O-OG1 3.2Å |
| 247 | N | 27.2 | Very low | 27.1 | Very low | 98 Ų | 98 | 101.2 Ų | 101.2 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | | | trans | -33.1 | 130.1 | -179.6 | -170.4 | -11.7 | 0 | 0 | 0 | 114.3 | S249 H250 | N247-S249 PolarHBondContact O-N 2.78Å; N247-S249 PolarHBondContact OD1-N 2.92Å; N247-S249 PolarHBondContact OD1-OG 2.74Å; N247-S249 VanDerWaalsContact OD1-OG 3.11Å; N247-H250 PolarHBondContact O-N 2.83Å |
| 248 | P | 33.8 | Very low | 27.1 | Very low | 137 Ų | 137 | 99.3 Ų | 99.3 | 89% | 0.89 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -10.3 | 179.4 | 21.2 | -33.8 | 0 | 0 | 0 | 115.2 | | |
| 249 | S | 28 | Very low | 27.1 | Very low | 90 Ų | 90 | 101.5 Ų | 101.5 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -9.4 | 173.7 | -37 | 0 | 0 | 0 | 0 | 114.7 | N247 | N247-S249 PolarHBondContact O-N 2.78Å; N247-S249 PolarHBondContact OD1-N 2.92Å; N247-S249 PolarHBondContact OD1-OG 2.74Å; N247-S249 VanDerWaalsContact OD1-OG 3.11Å |
| 250 | H | 27.4 | Very low | 27.1 | Very low | 139 Ų | 139 | 99.7 Ų | 99.7 | 64% | 0.644 | 60% | 0.598 | S | S | * | * | | | trans | -102.7 | 92.3 | -178.1 | -98.2 | -109.1 | 0 | 0 | 0 | 111.3 | N247 T252 | N247-H250 PolarHBondContact O-N 2.83Å; H250-T252 PolarHBondContact O-N 3.43Å; H250-T252 VanDerWaalsContact O-N 3.11Å |
| 251 | T | 29.7 | Very low | 26.9 | Very low | 113 Ų | 113 | 100 Ų | 100 | 69% | 0.693 | 60% | 0.604 | S | S | * | * | | | trans | -68.6 | 102.9 | 165.3 | -5.9 | 0 | 0 | 0 | 0 | 108.1 | T240 I253 | T240-T251 HydrophobicContact CG2-CG2 4.36Å; T251-I253 PolarHBondContact O-N 2.86Å |
| 252 | T | 27 | Very low | 26.8 | Very low | 67 Ų | 67 | 103.6 Ų | 103.6 | 41% | 0.411 | 62% | 0.62 | S | S | . | * | | | trans | -84 | 104.8 | 169.5 | -51.2 | 0 | 0 | 0 | 0 | 107.1 | H250 F254 | H250-T252 PolarHBondContact O-N 3.43Å; H250-T252 VanDerWaalsContact O-N 3.11Å; T252-F254 PolarHBondContact O-N 3.14Å |
| 253 | I | 26.8 | Very low | 26.8 | Very low | 119 Ų | 119 | 107.3 Ų | 107.3 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | | | trans | -73.6 | 110.5 | 173.7 | -58.8 | 172.5 | 0 | 0 | 0 | 106.6 | L238 T251 A255 | L238-I253 HydrophobicContact CD2-CG2 4.43Å; T251-I253 PolarHBondContact O-N 2.86Å; I253-A255 PolarHBondContact O-N 3.29Å; I253-A255 VanDerWaalsContact O-N 3.17Å |
| 254 | F | 28.2 | Very low | 26.7 | Very low | 101 Ų | 101 | 109.3 Ų | 109.3 | 44% | 0.443 | 64% | 0.639 | S | S | . | * | | | trans | -70.8 | 110.1 | 166.6 | -70.2 | -88.4 | 0 | 0 | 0 | 107.7 | I239 G241 T252 N256 | I239-F254 VanDerWaalsContact O-CD2 3.23Å; I239-F254 WeakPolarHBondContact O-CD2 3.28Å; G241-F254 WeakPolarHBondContact O-CE2 3.37Å; T252-F254 PolarHBondContact O-N 3.14Å; F254-N256 PolarHBondContact O-N 2.85Å |
| 255 | A | 24.4 | Very low | 26.5 | Very low | 90 Ų | 90 | 111.2 Ų | 111.2 | 74% | 0.744 | 65% | 0.649 | S | S | * | * | | | trans | -72.9 | 52.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I253 | I253-A255 PolarHBondContact O-N 3.29Å; I253-A255 VanDerWaalsContact O-N 3.17Å |
| 256 | N | 27 | Very low | 26.5 | Very low | 101 Ų | 101 | 113.4 Ų | 113.4 | 54% | 0.54 | 64% | 0.639 | S | S | . | * | | | trans | -94.4 | 89.6 | 160.4 | -78.1 | -15.2 | 0 | 0 | 0 | 105.7 | F254 I258 | F254-N256 PolarHBondContact O-N 2.85Å; N256-I258 VanDerWaalsContact C-N 3.26Å; N256-I258 PolarHBondContact O-N 3.14Å |
| 257 | H | 26 | Very low | 26.4 | Very low | 147 Ų | 147 | 114.2 Ų | 114.2 | 68% | 0.681 | 65% | 0.646 | S | S | * | * | | | trans | -52.8 | 101.2 | 154.4 | -87.2 | -96.9 | 0 | 0 | 0 | 106.5 | Q259 | H257-Q259 PolarHBondContact O-N 3Š|
| 258 | I | 27.9 | Very low | 26.2 | Very low | 87 Ų | 87 | 118.7 Ų | 118.7 | 45% | 0.446 | 66% | 0.664 | S | S | . | * | | | trans | -68.3 | 86.8 | 153.5 | -57.4 | -179.5 | 0 | 0 | 0 | 103.4 | I239 N256 T260 | I239-I258 HydrophobicContact CD1-CD1 4.5Å; N256-I258 VanDerWaalsContact C-N 3.26Å; N256-I258 PolarHBondContact O-N 3.14Å; I258-T260 HydrophobicContact CG2-CG2 4.07Å; I258-T260 PolarHBondContact O-N 2.82Å |
| 259 | Q | 26.7 | Very low | 25.8 | Very low | 165 Ų | 165 | 117.4 Ų | 117.4 | 77% | 0.771 | 65% | 0.648 | S | S | * | * | | | trans | -66.4 | 89.8 | 159.7 | -149.8 | 177.7 | -14.3 | 0 | 0 | 103.4 | H257 S261 | H257-Q259 PolarHBondContact O-N 3Å; Q259-S261 PolarHBondContact O-N 3.43Å |
| 260 | T | 28.7 | Very low | 25.5 | Very low | 80 Ų | 80 | 119.1 Ų | 119.1 | 49% | 0.491 | 65% | 0.65 | S | S | . | * | | | trans | -53 | 118 | 157.2 | 45.6 | 0 | 0 | 0 | 0 | 103.8 | I258 | I258-T260 HydrophobicContact CG2-CG2 4.07Å; I258-T260 PolarHBondContact O-N 2.82Å |
| 261 | S | 23.9 | Very low | 25.3 | Very low | 94 Ų | 94 | 122.2 Ų | 122.2 | 66% | 0.657 | 66% | 0.658 | S | S | * | * | | | trans | -44.1 | 145 | 166.7 | -81.4 | 0 | 0 | 0 | 0 | 107.5 | Q259 L263 | Q259-S261 PolarHBondContact O-N 3.43Å; S261-L263 PolarHBondContact O-N 3.01Å |
| 262 | P | 22.8 | Very low | 25 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | | | trans | -46.7 | 130.3 | 168 | 23.5 | -31.8 | 0 | 0 | 0 | 105.7 | T264 | P262-T264 PolarHBondContact O-N 3.28Š|
| 263 | L | 24.5 | Very low | 24.9 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | | | trans | -43.9 | 98.6 | 164.9 | -81.7 | 144 | 0 | 0 | 0 | 105.1 | S261 L265 | S261-L263 PolarHBondContact O-N 3.01Å; L263-L265 VanDerWaalsContact C-N 3.3Å; L263-L265 PolarHBondContact O-N 3.21Å |
| 264 | T | 24.1 | Very low | 24.7 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | | | trans | -59.1 | 111.4 | 169.9 | -49.4 | 0 | 0 | 0 | 0 | 101.2 | P262 I266 | P262-T264 PolarHBondContact O-N 3.28Å; T264-I266 VanDerWaalsContact C-N 3.32Å; T264-I266 PolarHBondContact O-N 2.95Å |
| 265 | L | 22.4 | Very low | 24.4 | Very low | 157 Ų | 157 | 125 Ų | 125 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | | | trans | -27 | 99.8 | 176.8 | -80.6 | 134 | 0 | 0 | 0 | 108.3 | L263 P267 | L263-L265 VanDerWaalsContact C-N 3.3Å; L263-L265 PolarHBondContact O-N 3.21Å; L265-P267 VanDerWaalsContact C-N 3.33Å; L265-P267 VanDerWaalsContact O-CD 3.26Å; L265-P267 WeakPolarHBondContact O-CD 3.28Å |
| 266 | I | 24.5 | Very low | 24.4 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | | | trans | -58.8 | 114 | 156.7 | -61.2 | 173.4 | 0 | 0 | 0 | 100.2 | T264 E268 | T264-I266 VanDerWaalsContact C-N 3.32Å; T264-I266 PolarHBondContact O-N 2.95Å; I266-E268 PolarHBondContact O-N 3.32Å |
| 267 | P | 23 | Very low | 24.3 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 63% | 0.63 | 72% | 0.715 | S | S | * | * | | | trans | -49.9 | 128.1 | 180 | 19 | -29.1 | 0 | 0 | 0 | 106.2 | L265 I269 | L265-P267 VanDerWaalsContact C-N 3.33Å; L265-P267 VanDerWaalsContact O-CD 3.26Å; L265-P267 WeakPolarHBondContact O-CD 3.28Å; P267-I269 VanDerWaalsContact C-N 3.28Å; P267-I269 PolarHBondContact O-N 3.07Å |
| 268 | E | 24.4 | Very low | 24.3 | Very low | 192 Ų | 192 | 129.6 Ų | 129.6 | 90% | 0.897 | 71% | 0.711 | S | S | * | * | | | trans | -48.3 | 105.1 | 168.8 | -88.4 | 177.9 | 143.4 | 0 | 0 | 106 | I266 D270 | I266-E268 PolarHBondContact O-N 3.32Å; E268-D270 PolarHBondContact O-N 2.91Å |
| 269 | I | 23.9 | Very low | 24.2 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 56% | 0.559 | 73% | 0.726 | S | S | * | * | | | trans | -74.6 | 96.4 | 165.1 | -58.7 | 177.2 | 0 | 0 | 0 | 101.8 | P267 Y271 | P267-I269 VanDerWaalsContact C-N 3.28Å; P267-I269 PolarHBondContact O-N 3.07Å; I269-Y271 VanDerWaalsContact C-N 3.26Å; I269-Y271 HydrophobicContact CB-CD2 4.26Å; I269-Y271 HydrophobicContact CB-CE2 3.85Å; I269-Y271 HydrophobicContact CG2-CD2 4.12Å; I269-Y271 HydrophobicContact CG2-CE1 4.33Å; I269-Y271 HydrophobicContact CG2-CE2 3.78Å; I269-Y271 WeakPolarHBondContact O-CD2 3.09Å; I269-Y271 PolarHBondContact O-N 3.43Å |
| 270 | D | 21.7 | Very low | 24.1 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | | | trans | -61.8 | 94.9 | 175.6 | -154.4 | -11.1 | 0 | 0 | 0 | 106.5 | E268 N272 | E268-D270 PolarHBondContact O-N 2.91Å; D270-N272 PolarHBondContact O-N 3.17Å; D270-N272 PolarHBondContact OD1-ND2 3.07Å |
| 271 | Y | 24 | Very low | 24 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | -75 | 38.7 | 174.2 | -76.5 | -82.3 | 0 | 0 | 0 | 110.4 | I269 A273 | I269-Y271 VanDerWaalsContact C-N 3.26Å; I269-Y271 HydrophobicContact CB-CD2 4.26Å; I269-Y271 HydrophobicContact CB-CE2 3.85Å; I269-Y271 HydrophobicContact CG2-CD2 4.12Å; I269-Y271 HydrophobicContact CG2-CE1 4.33Å; I269-Y271 HydrophobicContact CG2-CE2 3.78Å; I269-Y271 WeakPolarHBondContact O-CD2 3.09Å; I269-Y271 PolarHBondContact O-N 3.43Å; Y271-A273 PolarHBondContact O-N 3.36Å |
| 272 | N | 23.8 | Very low | 24.2 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -90.2 | 100.4 | 165.4 | -90.6 | -36.6 | 0 | 0 | 0 | 109 | D270 | D270-N272 PolarHBondContact O-N 3.17Å; D270-N272 PolarHBondContact OD1-ND2 3.07Å |
| 273 | A | 23.6 | Very low | 24.6 | Very low | 84 Ų | 84 | 148.1 Ų | 148.1 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | | | trans | -0.1 | 132.4 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117 | Y271 | Y271-A273 PolarHBondContact O-N 3.36Š|
| 274 | C | 22.6 | Very low | 24.6 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | trans | 104.7 | 111.4 | 152 | -67.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 275 | S | 23.5 | Very low | 24.6 | Very low | 120 Ų | 120 | 149 Ų | 149 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | 97.2 | 108.3 | 150.5 | 78.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 276 | I | 24.3 | Very low | 24.7 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | | | trans | -59.3 | 138.5 | 151 | -60.9 | 162.8 | 0 | 0 | 0 | 108.3 | | |
| 277 | I | 25.1 | Very low | 24.7 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 82% | 0.815 | 82% | 0.816 | S | S | * | * | | | | 177 | 134.9 | 128.5 | -83.6 | 152.3 | 0 | 0 | 0 | 110.2 | | |
| 278 | H | 25.9 | Very low | 24.9 | Very low | 128 Ų | 128 | 153 Ų | 153 | 59% | 0.593 | 83% | 0.828 | S | S | * | * | | | trans | -52.9 | 162.4 | -178.9 | -62.5 | -100.3 | 0 | 0 | 0 | 114.6 | | |
| 279 | T | 24.7 | Very low | 24.9 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 76% | 0.761 | 82% | 0.823 | S | S | * | * | | | | 179.5 | 147.1 | 51.8 | -35.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 280 | Y | 24 | Very low | 25 | Very low | 233 Ų | 233 | 153.4 Ų | 153.4 | 91% | 0.914 | 84% | 0.842 | S | S | * | * | | | trans | -110.3 | 122.6 | 155.8 | -80.7 | -83.7 | 0 | 0 | 0 | 109.5 | | |
| 281 | R | 26.7 | Very low | 25.2 | Very low | 241 Ų | 241 | 155.4 Ų | 155.4 | 91% | 0.909 | 86% | 0.855 | S | S | * | * | | | trans | -153.5 | 124 | 142.6 | -140.5 | 175.9 | -170.4 | 169.9 | 3.1 | 110.9 | | |
| 282 | N | 29.8 | Very low | 25.3 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 92% | 0.92 | 86% | 0.86 | S | S | * | * | | | trans | -61.2 | 134.4 | 165.6 | -77 | -34.6 | 0 | 0 | 0 | 110.3 | | |
| 283 | G | 29.9 | Very low | 25.4 | Very low | 153 Ų | 153 | 153.2 Ų | 153.2 | 100% | 1.577 | 87% | 0.874 | S | S | * | * | | | trans | 159.6 | 0 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |