| 1 | M | 44.1 | Very low | 52.1 | Low | 243 Ų | 243 | 137.7 Ų | 137.7 | 100% | 1.197 | 79% | 0.785 | S | S | * | * | | | | 0 | 109.5 | 0 | -72.5 | 127.5 | 170 | 0 | 0 | 108.2 | | |
| 2 | A | 48.4 | Very low | 52.6 | Low | 103 Ų | 103 | 145.3 Ų | 145.3 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | -90.8 | 120.2 | 179 | 0 | 0 | 0 | 0 | 0 | 109.4 | P4 | A2-P4 WeakPolarHBondContact O-CD 3.25Š|
| 3 | L | 53.9 | Low | 53.8 | Low | 167 Ų | 167 | 139.9 Ų | 139.9 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -74.9 | 120.3 | 175.3 | -65 | 169.4 | 0 | 0 | 0 | 109.3 | G5 | L3-G5 PolarHBondContact O-N 3.43Š|
| 4 | P | 56.7 | Low | 55.3 | Low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | | | trans | -72.6 | 110.8 | 170.2 | 28.1 | -29.3 | 0 | 0 | 0 | 108.7 | A2 | A2-P4 WeakPolarHBondContact O-CD 3.25Š|
| 5 | G | 47.5 | Very low | 57.1 | Low | 55 Ų | 55 | 122.9 Ų | 122.9 | 57% | 0.567 | 69% | 0.692 | S | S | * | * | | | trans | -60.7 | 166.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L3 | L3-G5 PolarHBondContact O-N 3.43Š|
| 6 | P | 54.6 | Low | 58.5 | Low | 105 Ų | 105 | 127.5 Ų | 127.5 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | | | trans | -65.9 | 140.9 | -162.2 | 27.5 | -34.6 | 0 | 0 | 0 | 112.1 | K8 | P6-K8 WeakPolarHBondContact O-CG 3.23Å; P6-K8 PolarHBondContact O-N 3.4Å; P6-K8 VanDerWaalsContact O-N 3.16Å |
| 7 | N | 51.4 | Low | 59.5 | Low | 149 Ų | 149 | 130.1 Ų | 130.1 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | | | trans | -32.7 | 108.4 | 172.4 | -59.5 | -87.3 | 0 | 0 | 0 | 113 | | |
| 8 | K | 56 | Low | 60.6 | Low | 147 Ų | 147 | 124.4 Ų | 124.4 | 64% | 0.639 | 68% | 0.676 | S | S | * | * | | | trans | -104.1 | 26.2 | 179.2 | -72 | 143.7 | -177.2 | -169.3 | 0 | 111.8 | P6 | P6-K8 WeakPolarHBondContact O-CG 3.23Å; P6-K8 PolarHBondContact O-N 3.4Å; P6-K8 VanDerWaalsContact O-N 3.16Å |
| 9 | D | 54.8 | Low | 61.5 | Low | 124 Ų | 124 | 121.1 Ų | 121.1 | 66% | 0.663 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -95.1 | -6.6 | -167.6 | -57.8 | -66.4 | 0 | 0 | 0 | 113.8 | | |
| 10 | N | 50.2 | Low | 62.4 | Low | 151 Ų | 151 | 118.1 Ų | 118.1 | 81% | 0.807 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -106.3 | -15.6 | -179.5 | -68 | -64.1 | 0 | 0 | 0 | 115.1 | | |
| 11 | I | 55.2 | Low | 63.4 | Low | 146 Ų | 146 | 116.6 Ų | 116.6 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -88.4 | -11.2 | 177.3 | -52 | 170 | 0 | 0 | 0 | 111.1 | | |
| 12 | R | 58.3 | Low | 65.4 | Low | 228 Ų | 228 | 108.8 Ų | 108.8 | 86% | 0.86 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -94.3 | -6.6 | -166 | -155.3 | 166.1 | -177.5 | -150.6 | 1.1 | 115.6 | | |
| 13 | A | 68.3 | Low | 67.1 | Low | 76 Ų | 76 | 105.5 Ų | 105.5 | 63% | 0.628 | 60% | 0.597 | S | S | * | * | | | trans | -107.6 | 51.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 14 | G | 75.5 | Confident | 68.5 | Low | 24 Ų | 24 | 102.6 Ų | 102.6 | 25% | 0.247 | 58% | 0.581 | C | S | . | * | | | trans | -70.1 | 161.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K16 Y20 | G14-K16 PolarHBondContact O-N 3.14Å; G14-Y20 CarbonylContact C-O 3.58Å; G14-Y20 VanDerWaalsContact CA-O 3.23Å; G14-Y20 WeakPolarHBondContact CA-O 3.34Å |
| 15 | C | 82.1 | Confident | 69.5 | Low | 1 Ų | 1 | 98.7 Ų | 98.7 | 1% | 0.007 | 56% | 0.555 | C | S | . | * | | | trans | -59.8 | 123.5 | 175.8 | 168.2 | 0 | 0 | 0 | 0 | 109.1 | K17 C18 G19 Y20 H23 C28 | C15-K17 PolarHBondContact O-N 3.31Å; C15-K17 VanDerWaalsContact O-N 3.08Å; C15-K17 VanDerWaalsContact SG-CB 3.6Å; C15-K17 PolarHBondContact SG-N 3.34Å; C15-C18 VanDerWaalsContact CB-SG 3.58Å; C15-C18 PolarHBondContact O-N 3Å; C15-G19 VanDerWaalsContact O-CA 3.25Å; C15-G19 WeakPolarHBondContact O-CA 3.43Å; C15-G19 PolarHBondContact O-N 2.74Å; C15-Y20 PolarHBondContact N-O 3.4Å; C15-H23 WeakPolarHBondContact CA-O 3.46Å; C15-H23 VanDerWaalsContact CB-CD2 3.41Å; C15-H23 WeakPolarHBondContact CB-CD2 3.04Å; C15-H23 WeakPolarHBondContact CB-NE2 3.41Å; C15-H23 WeakPolarHBondContact CB-O 3.23Å; C15-H23 PolarHBondContact N-O 3.08Å; C15-C28 HydrophobicContact CB-CB 4.11Å; C15-C28 WeakPolarHBondContact CB-SG 3.43Å; C15-C28 WeakPolarHBondContact SG-CB 3.29Å; C15-C28 CovalentContact SG-SG 2.07Å; C15-C28 PolarHBondContact SG-SG 3.16Å |
| 16 | K | 79.1 | Confident | 70.9 | Confident | 196 Ų | 196 | 105.2 Ų | 105.2 | 85% | 0.852 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -15 | 178.8 | -63.8 | -175.1 | 178 | -173.5 | 0 | 114.1 | G14 T25 | G14-K16 PolarHBondContact O-N 3.14Å; K16-T25 HydrophobicContact CB-CG2 3.8Å; K16-T25 HydrophobicContact CG-CG2 4.35Å |
| 17 | K | 75.4 | Confident | 72.2 | Confident | 171 Ų | 171 | 106.3 Ų | 106.3 | 74% | 0.743 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -47.4 | -179.9 | -58.1 | -172.9 | 172.7 | -153.2 | 0 | 112.3 | C15 T25 | C15-K17 PolarHBondContact O-N 3.31Å; C15-K17 VanDerWaalsContact O-N 3.08Å; C15-K17 VanDerWaalsContact SG-CB 3.6Å; C15-K17 PolarHBondContact SG-N 3.34Å; K17-T25 HydrophobicContact CG-CG2 4.13Å |
| 18 | C | 79.6 | Confident | 73.7 | Confident | 29 Ų | 29 | 100.5 Ų | 100.5 | 20% | 0.196 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -10.3 | -176.7 | 72.8 | 0 | 0 | 0 | 0 | 114 | C15 Y20 H23 C28 | C15-C18 VanDerWaalsContact CB-SG 3.58Å; C15-C18 PolarHBondContact O-N 3Å; C18-Y20 HydrophobicContact CB-CD2 4.1Å; C18-Y20 WeakPolarHBondContact O-CD2 3.39Å; C18-Y20 PolarHBondContact O-N 3.02Å; C18-H23 PolarHBondContact SG-CE1 3.49Å; C18-H23 PolarHBondContact SG-NE2 3.07Å; C18-C28 PolarHBondContact SG-SG 2.62Å |
| 19 | G | 77.7 | Confident | 75.1 | Confident | 60 Ų | 60 | 101.1 Ų | 101.1 | 62% | 0.619 | 53% | 0.533 | S | S | * | . | | | trans | 77.1 | -8.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | C15 | C15-G19 VanDerWaalsContact O-CA 3.25Å; C15-G19 WeakPolarHBondContact O-CA 3.43Å; C15-G19 PolarHBondContact O-N 2.74Å |
| 20 | Y | 79.3 | Confident | 75.7 | Confident | 62 Ų | 62 | 101.4 Ų | 101.4 | 24% | 0.243 | 54% | 0.535 | C | S | . | . | | | trans | -72.4 | 135.2 | -179.6 | -74.4 | -91.4 | 0 | 0 | 0 | 111.6 | G14 C15 C18 D39 | G14-Y20 CarbonylContact C-O 3.58Å; G14-Y20 VanDerWaalsContact CA-O 3.23Å; G14-Y20 WeakPolarHBondContact CA-O 3.34Å; C15-Y20 PolarHBondContact N-O 3.4Å; C18-Y20 HydrophobicContact CB-CD2 4.1Å; C18-Y20 WeakPolarHBondContact O-CD2 3.39Å; C18-Y20 PolarHBondContact O-N 3.02Å; Y20-D39 PolarHBondContact OH-OD1 2.78Å |
| 21 | P | 83 | Confident | 76.2 | Confident | 86 Ų | 86 | 97 Ų | 97 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 155.9 | 172.4 | 29.9 | -33.7 | 0 | 0 | 0 | 110.7 | | |
| 22 | G | 86.4 | Confident | 76.6 | Confident | 80 Ų | 80 | 94.7 Ų | 94.7 | 83% | 0.825 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.7 | 0.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 23 | H | 83.5 | Confident | 76.6 | Confident | 34 Ų | 34 | 91.2 Ų | 91.2 | 16% | 0.157 | 49% | 0.488 | C | S | . | . | | | trans | -147.9 | 152.9 | 171 | 67.3 | -85.2 | 0 | 0 | 0 | 113 | C15 C18 E27 C28 | C15-H23 WeakPolarHBondContact CA-O 3.46Å; C15-H23 VanDerWaalsContact CB-CD2 3.41Å; C15-H23 WeakPolarHBondContact CB-CD2 3.04Å; C15-H23 WeakPolarHBondContact CB-NE2 3.41Å; C15-H23 WeakPolarHBondContact CB-O 3.23Å; C15-H23 PolarHBondContact N-O 3.08Å; C18-H23 PolarHBondContact SG-CE1 3.49Å; C18-H23 PolarHBondContact SG-NE2 3.07Å; H23-E27 HydrophobicContact CB-CB 4.19Å; H23-C28 VanDerWaalsContact CD2-CA 3.41Å; H23-C28 WeakPolarHBondContact CD2-CA 3.19Å; H23-C28 PolarHBondContact NE2-SG 2.78Å |
| 24 | L | 84.4 | Confident | 76.2 | Confident | 105 Ų | 105 | 92.9 Ų | 92.9 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | | | trans | -85 | 164.6 | 175.6 | -76.1 | 89.4 | 0 | 0 | 0 | 111.3 | F26 E27 C28 | L24-F26 PolarHBondContact O-N 3.21Å; L24-E27 PolarHBondContact N-OE2 2.99Å; L24-E27 PolarHBondContact O-N 3.28Å; L24-C28 PolarHBondContact O-N 3.32Å |
| 25 | T | 76.3 | Confident | 74.7 | Confident | 43 Ų | 43 | 95.8 Ų | 95.8 | 26% | 0.264 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.4 | 178.7 | 52.8 | 0 | 0 | 0 | 0 | 114.9 | K16 K17 C28 | K16-T25 HydrophobicContact CB-CG2 3.8Å; K16-T25 HydrophobicContact CG-CG2 4.35Å; K17-T25 HydrophobicContact CG-CG2 4.13Å; T25-C28 WeakPolarHBondContact O-CB 3.41Å |
| 26 | F | 77.5 | Confident | 73.7 | Confident | 193 Ų | 193 | 101 Ų | 101 | 85% | 0.846 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -22 | 177.9 | -57.9 | -71.8 | 0 | 0 | 0 | 113.1 | L24 | L24-F26 PolarHBondContact O-N 3.21Š|
| 27 | E | 83.3 | Confident | 72.5 | Confident | 127 Ų | 127 | 100.7 Ų | 100.7 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -2.4 | 178.1 | -65.5 | 159.4 | -179 | 0 | 0 | 111.1 | H23 L24 R29 | H23-E27 HydrophobicContact CB-CB 4.19Å; L24-E27 PolarHBondContact N-OE2 2.99Å; L24-E27 PolarHBondContact O-N 3.28Å; E27-R29 PolarHBondContact O-N 3.33Å; E27-R29 VanDerWaalsContact O-N 3.14Å |
| 28 | C | 82.9 | Confident | 71.4 | Confident | 27 Ų | 27 | 98.9 Ų | 98.9 | 18% | 0.182 | 53% | 0.528 | C | S | . | . | | | trans | -73.5 | 103.2 | -173.5 | -152.9 | 0 | 0 | 0 | 0 | 109.5 | C15 C18 H23 L24 T25 | C15-C28 HydrophobicContact CB-CB 4.11Å; C15-C28 WeakPolarHBondContact CB-SG 3.43Å; C15-C28 WeakPolarHBondContact SG-CB 3.29Å; C15-C28 CovalentContact SG-SG 2.07Å; C15-C28 PolarHBondContact SG-SG 3.16Å; C18-C28 PolarHBondContact SG-SG 2.62Å; H23-C28 VanDerWaalsContact CD2-CA 3.41Å; H23-C28 WeakPolarHBondContact CD2-CA 3.19Å; H23-C28 PolarHBondContact NE2-SG 2.78Å; L24-C28 PolarHBondContact O-N 3.32Å; T25-C28 WeakPolarHBondContact O-CB 3.41Å |
| 29 | R | 83.9 | Confident | 70 | Confident | 160 Ų | 160 | 103 Ų | 103 | 60% | 0.604 | 55% | 0.547 | S | S | * | . | | | trans | -71 | 150.7 | 171 | -65 | -176.5 | -175.6 | 174.1 | 1.3 | 109.4 | E27 F31 | E27-R29 PolarHBondContact O-N 3.33Å; E27-R29 VanDerWaalsContact O-N 3.14Å; R29-F31 HydrophobicContact CB-CD1 4.47Å; R29-F31 HydrophobicContact CB-CD2 4.45Å; R29-F31 HydrophobicContact CB-CE1 3.89Å; R29-F31 HydrophobicContact CB-CE2 3.89Å; R29-F31 HydrophobicContact CB-CZ 3.62Å; R29-F31 HydrophobicContact CG-CZ 4.47Å; R29-F31 PolarHBondContact O-N 2.96Å |
| 30 | N | 68.4 | Low | 68.8 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 70% | 0.695 | 55% | 0.545 | S | S | * | . | | | trans | -77.5 | 67.6 | -166.7 | -144 | 27.1 | 0 | 0 | 0 | 111.1 | V32 | N30-V32 PolarHBondContact O-N 3.32Š|
| 31 | F | 60.7 | Low | 67.7 | Low | 59 Ų | 59 | 105.7 Ų | 105.7 | 26% | 0.259 | 55% | 0.553 | S | S | . | * | | | trans | -78.6 | 92.3 | 176.2 | -57 | -42.7 | 0 | 0 | 0 | 108.7 | R29 R33 V41 | R29-F31 HydrophobicContact CB-CD1 4.47Å; R29-F31 HydrophobicContact CB-CD2 4.45Å; R29-F31 HydrophobicContact CB-CE1 3.89Å; R29-F31 HydrophobicContact CB-CE2 3.89Å; R29-F31 HydrophobicContact CB-CZ 3.62Å; R29-F31 HydrophobicContact CG-CZ 4.47Å; R29-F31 PolarHBondContact O-N 2.96Å; F31-R33 PolarHBondContact O-N 3.25Å; F31-V41 HydrophobicContact CB-CG2 4.15Å; F31-V41 HydrophobicContact CD1-CB 4.01Å; F31-V41 HydrophobicContact CD1-CG1 3.04Å; F31-V41 HydrophobicContact CD1-CG2 4.02Å; F31-V41 HydrophobicContact CD2-CG1 4.41Å; F31-V41 HydrophobicContact CD2-CG2 4.49Å; F31-V41 HydrophobicContact CE1-CB 4.27Å; F31-V41 HydrophobicContact CE1-CG1 2.94Å; F31-V41 HydrophobicContact CE2-CG1 4.32Å; F31-V41 HydrophobicContact CG-CB 4.46Å; F31-V41 HydrophobicContact CG-CG1 3.81Å; F31-V41 HydrophobicContact CG-CG2 3.95Å; F31-V41 HydrophobicContact CZ-CG1 3.62Å |
| 32 | V | 62.3 | Low | 66.4 | Low | 98 Ų | 98 | 107.1 Ų | 107.1 | 59% | 0.594 | 56% | 0.555 | S | S | * | * | | | trans | -72 | 115.1 | 165.2 | -178.3 | 0 | 0 | 0 | 0 | 106.2 | N30 V34 | N30-V32 PolarHBondContact O-N 3.32Å; V32-V34 VanDerWaalsContact C-N 3.33Å; V32-V34 HydrophobicContact CB-CG2 4.39Å; V32-V34 HydrophobicContact CG1-CG2 4.04Å; V32-V34 PolarHBondContact O-N 3.28Å |
| 33 | R | 59.3 | Low | 64.8 | Low | 154 Ų | 154 | 106.8 Ų | 106.8 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | | | trans | -72.9 | 94.6 | 170.3 | -62.9 | 179.2 | 75.1 | -167.5 | 1.8 | 106.8 | F31 D35 | F31-R33 PolarHBondContact O-N 3.25Å; R33-D35 VanDerWaalsContact C-N 3.34Å |
| 34 | V | 59.1 | Low | 63.4 | Low | 111 Ų | 111 | 109 Ų | 109 | 67% | 0.673 | 55% | 0.551 | S | S | * | * | | | trans | -73.5 | -30.2 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | V32 | V32-V34 VanDerWaalsContact C-N 3.33Å; V32-V34 HydrophobicContact CB-CG2 4.39Å; V32-V34 HydrophobicContact CG1-CG2 4.04Å; V32-V34 PolarHBondContact O-N 3.28Å |
| 35 | D | 44.3 | Very low | 61.8 | Low | 85 Ų | 85 | 108.2 Ų | 108.2 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | | | trans | -136.5 | 130.9 | 175.6 | -91.2 | -38.6 | 0 | 0 | 0 | 112.3 | R33 Q37 K38 | R33-D35 VanDerWaalsContact C-N 3.34Å; D35-Q37 PolarHBondContact O-N 3.17Å; D35-K38 HydrophobicContact CB-CB 4.27Å |
| 36 | P | 62.2 | Low | 60.5 | Low | 112 Ų | 112 | 110.9 Ų | 110.9 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -21.2 | 176 | -18.7 | 30.4 | 0 | 0 | 0 | 114.4 | | |
| 37 | Q | 53.4 | Low | 59.3 | Low | 189 Ų | 189 | 107 Ų | 107 | 88% | 0.883 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -16.7 | -176 | -67.7 | -177.5 | -93.1 | 0 | 0 | 113.7 | D35 | D35-Q37 PolarHBondContact O-N 3.17Š|
| 38 | K | 51.8 | Low | 57.4 | Low | 133 Ų | 133 | 106 Ų | 106 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | | | trans | -125.8 | 98.9 | -178.2 | -60 | -179 | -172.9 | -179.7 | 0 | 107 | D35 I40 | D35-K38 HydrophobicContact CB-CB 4.27Å; K38-I40 HydrophobicContact CB-CD1 4.07Å; K38-I40 HydrophobicContact CB-CG1 4.23Å; K38-I40 PolarHBondContact O-N 3.16Å |
| 39 | D | 49.3 | Very low | 55.8 | Low | 114 Ų | 114 | 110.9 Ų | 110.9 | 61% | 0.61 | 61% | 0.608 | S | S | * | * | | | trans | -70.4 | 57.9 | 179.6 | -155.5 | 10.5 | 0 | 0 | 0 | 110.5 | Y20 | Y20-D39 PolarHBondContact OH-OD1 2.78Š|
| 40 | I | 52.6 | Low | 53.7 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 57% | 0.574 | 62% | 0.621 | S | S | * | * | | | trans | -106 | 124.3 | -177.9 | -57 | 171.7 | 0 | 0 | 0 | 108.1 | K38 L42 | K38-I40 HydrophobicContact CB-CD1 4.07Å; K38-I40 HydrophobicContact CB-CG1 4.23Å; K38-I40 PolarHBondContact O-N 3.16Å; I40-L42 HydrophobicContact CG2-CD1 4.24Å |
| 41 | V | 56.3 | Low | 52.2 | Low | 68 Ų | 68 | 115.1 Ų | 115.1 | 41% | 0.412 | 63% | 0.631 | S | S | . | * | | | trans | -106.1 | 101 | -174.1 | 150.1 | 0 | 0 | 0 | 0 | 107 | F31 D43 | F31-V41 HydrophobicContact CB-CG2 4.15Å; F31-V41 HydrophobicContact CD1-CB 4.01Å; F31-V41 HydrophobicContact CD1-CG1 3.04Å; F31-V41 HydrophobicContact CD1-CG2 4.02Å; F31-V41 HydrophobicContact CD2-CG1 4.41Å; F31-V41 HydrophobicContact CD2-CG2 4.49Å; F31-V41 HydrophobicContact CE1-CB 4.27Å; F31-V41 HydrophobicContact CE1-CG1 2.94Å; F31-V41 HydrophobicContact CE2-CG1 4.32Å; F31-V41 HydrophobicContact CG-CB 4.46Å; F31-V41 HydrophobicContact CG-CG1 3.81Å; F31-V41 HydrophobicContact CG-CG2 3.95Å; F31-V41 HydrophobicContact CZ-CG1 3.62Å; V41-D43 PolarHBondContact O-N 2.84Å |
| 42 | L | 57 | Low | 51.2 | Low | 115 Ų | 115 | 116.6 Ų | 116.6 | 60% | 0.602 | 65% | 0.648 | S | S | * | * | | | trans | -74.2 | 116.1 | 171.3 | -102.8 | 75.9 | 0 | 0 | 0 | 109.2 | I40 V44 | I40-L42 HydrophobicContact CG2-CD1 4.24Å; L42-V44 VanDerWaalsContact C-N 3.31Å; L42-V44 HydrophobicContact CB-CG1 4.34Å; L42-V44 PolarHBondContact O-N 3.36Å |
| 43 | D | 52.6 | Low | 50.3 | Low | 74 Ų | 74 | 120 Ų | 120 | 40% | 0.396 | 66% | 0.658 | S | S | . | * | | | trans | -75.6 | 86 | 168.1 | -167 | -1.8 | 0 | 0 | 0 | 109.3 | V41 S45 S46 | V41-D43 PolarHBondContact O-N 2.84Å; D43-S45 PolarHBondContact O-N 2.73Å; D43-S45 VanDerWaalsContact OD1-CB 3.29Å; D43-S45 WeakPolarHBondContact OD1-CB 3.39Å; D43-S45 PolarHBondContact OD1-N 3.19Å; D43-S45 PolarHBondContact OD1-OG 3.3Å; D43-S46 PolarHBondContact O-N 3.07Å |
| 44 | V | 54.8 | Low | 49.1 | Very low | 80 Ų | 80 | 120.5 Ų | 120.5 | 49% | 0.485 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | 10.9 | 177.9 | -69.8 | 0 | 0 | 0 | 0 | 114 | L42 S46 | L42-V44 VanDerWaalsContact C-N 3.31Å; L42-V44 HydrophobicContact CB-CG1 4.34Å; L42-V44 PolarHBondContact O-N 3.36Å; V44-S46 VanDerWaalsContact C-N 3.31Å |
| 45 | S | 50.9 | Low | 47.9 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -18.5 | 169 | -39.5 | 0 | 0 | 0 | 0 | 112.9 | D43 | D43-S45 PolarHBondContact O-N 2.73Å; D43-S45 VanDerWaalsContact OD1-CB 3.29Å; D43-S45 WeakPolarHBondContact OD1-CB 3.39Å; D43-S45 PolarHBondContact OD1-N 3.19Å; D43-S45 PolarHBondContact OD1-OG 3.3Å |
| 46 | S | 47.8 | Very low | 47.6 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -105.7 | -4.4 | -172.5 | -62.4 | 0 | 0 | 0 | 0 | 114.6 | D43 V44 S48 | D43-S46 PolarHBondContact O-N 3.07Å; V44-S46 VanDerWaalsContact C-N 3.31Å; S46-S48 PolarHBondContact O-N 3.13Å |
| 47 | T | 53 | Low | 46.7 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | | | trans | -91.1 | 52.7 | 171.4 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 48 | S | 43.8 | Very low | 45.9 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | | | trans | -80.2 | 118.1 | 157.6 | -75.8 | 0 | 0 | 0 | 0 | 106.4 | S46 E50 | S46-S48 PolarHBondContact O-N 3.13Å; S48-E50 PolarHBondContact O-N 2.07Å |
| 49 | S | 47.6 | Very low | 45.2 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 90% | 0.895 | 69% | 0.693 | S | S | * | * | | | trans | -66.3 | 110.3 | -167.3 | -147.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 50 | E | 41.1 | Very low | 44.9 | Very low | 190 Ų | 190 | 121.3 Ų | 121.3 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | | | trans | -136.2 | 98.3 | 151.5 | 56.4 | -177.8 | 99.4 | 0 | 0 | 107.1 | S48 | S48-E50 PolarHBondContact O-N 2.07Š|
| 51 | E | 35.5 | Very low | 44.1 | Very low | 190 Ų | 190 | 124.9 Ų | 124.9 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | | | trans | -165.3 | 120 | 147.7 | -167 | 132.7 | 74 | 0 | 0 | 108.1 | | |
| 52 | S | 40.7 | Very low | 43.4 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | | | trans | -63 | 148.2 | -179.4 | -101.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 53 | E | 43.8 | Very low | 42.8 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | | | trans | 37.7 | 96.6 | 134.5 | -57.2 | 156.5 | 101.8 | 0 | 0 | 117.7 | | |
| 54 | D | 33 | Very low | 42.5 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | | -165.9 | 129.4 | 125.5 | -142.7 | -127.5 | 0 | 0 | 0 | 112.5 | | |
| 55 | D | 35.3 | Very low | 41.9 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | | | trans | 6.8 | 117.3 | 159.1 | -153.3 | -102.6 | 0 | 0 | 0 | 120.7 | | |
| 56 | V | 36.7 | Very low | 41.2 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | | -170 | 125 | 112.9 | -159.9 | 0 | 0 | 0 | 0 | 110.1 | A58 | V56-A58 PolarHBondContact O-N 3.14Š|
| 57 | P | 44.2 | Very low | 41 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | | | trans | -90.8 | 94.6 | 175.3 | 34.1 | -29.5 | 0 | 0 | 0 | 111.3 | S59 | P57-S59 PolarHBondContact O-N 3.17Š|
| 58 | A | 35.4 | Very low | 40.4 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | -98 | 78.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V56 | V56-A58 PolarHBondContact O-N 3.14Š|
| 59 | S | 37.9 | Very low | 40.4 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -58.9 | 145.7 | 162.6 | -130.2 | 0 | 0 | 0 | 0 | 110.4 | P57 | P57-S59 PolarHBondContact O-N 3.17Š|
| 60 | Q | 43.5 | Very low | 40.1 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | 81.4 | 92.5 | 161.4 | -54.5 | 178.5 | -15.7 | 0 | 0 | 118.5 | | |
| 61 | H | 35.2 | Very low | 40.2 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | S | Bend | | -163.8 | 132.4 | 118.8 | -157.6 | -114.3 | 0 | 0 | 0 | 111.5 | | |
| 62 | S | 42.4 | Very low | 40.6 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | 83.4 | 49 | 175 | 77.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 63 | E | 44.2 | Very low | 40.7 | Very low | 175 Ų | 175 | 153.9 Ų | 153.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -64.1 | 139.2 | 141.9 | -61 | -170.5 | 109.9 | 0 | 0 | 109.5 | | |
| 64 | K | 45.5 | Very low | 40.6 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 75.4 | 93.4 | 169.7 | -52.3 | 163.8 | -173 | 175.8 | 0 | 114.5 | | |
| 65 | L | 41.6 | Very low | 41.2 | Very low | 185 Ų | 185 | 148.9 Ų | 148.9 | 97% | 0.969 | 79% | 0.792 | S | S | * | * | S | Bend | | 165.5 | 98.9 | 124.2 | -83.2 | 173.9 | 0 | 0 | 0 | 108.6 | | |
| 66 | G | 36.8 | Very low | 41.8 | Very low | 63 Ų | 63 | 149.6 Ų | 149.6 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 158.8 | -15.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S68 | G66-S68 PolarHBondContact O-N 2.58Å; G66-S68 VanDerWaalsContact O-N 3.14Å |
| 67 | R | 43 | Very low | 42.4 | Very low | 260 Ų | 260 | 147.2 Ų | 147.2 | 98% | 0.981 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 11.4 | -174 | -153.6 | 170.8 | 174.3 | -145.1 | -0.4 | 115.3 | | |
| 68 | S | 41 | Very low | 42.7 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.9 | -2.8 | -174.4 | 58.4 | 0 | 0 | 0 | 0 | 117.3 | G66 | G66-S68 PolarHBondContact O-N 2.58Å; G66-S68 VanDerWaalsContact O-N 3.14Å |
| 69 | V | 43.4 | Very low | 43.6 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -102.2 | -15.3 | -170.1 | -179.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 70 | L | 42.8 | Very low | 44.4 | Very low | 161 Ų | 161 | 145 Ų | 145 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -107.9 | 10 | -174.4 | -62 | 179.6 | 0 | 0 | 0 | 115.9 | | |
| 71 | R | 42.7 | Very low | 45.1 | Very low | 234 Ų | 234 | 142.7 Ų | 142.7 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -98.1 | 11 | 176.2 | -59 | -157.3 | 100.1 | -113.8 | 5 | 115.1 | | |
| 72 | Q | 44 | Very low | 46.3 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 84% | 0.841 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -135.7 | 14.1 | -175 | -133.1 | -178 | 17.9 | 0 | 0 | 116.2 | | |
| 73 | K | 42.8 | Very low | 47.2 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -112.9 | -7.6 | 179.9 | -151.9 | 89.9 | 169.5 | -159.4 | 0 | 115.4 | | |
| 74 | D | 41.4 | Very low | 47.9 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 68% | 0.679 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -98.5 | -14.1 | -177 | -159 | -112.9 | 0 | 0 | 0 | 113.8 | | |
| 75 | S | 46.3 | Very low | 48.6 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81.2 | -17.5 | 179 | -53.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 76 | H | 47.1 | Very low | 49.4 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 67% | 0.667 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -84.5 | -30.8 | -179 | -138.9 | -74.2 | 0 | 0 | 0 | 112.8 | D80 | H76-D80 IonicContact CE1-OD2 3.72Å; H76-D80 IonicContact ND1-OD2 2.73Å; H76-D80 PolarHBondContact ND1-OD2 2.97Å; H76-D80 VanDerWaalsContact ND1-OD2 3.16Å; H76-D80 PolarHBondContact O-N 3.16Å; H76-D80 VanDerWaalsContact O-OD2 3.12Å |
| 77 | D | 48.2 | Very low | 50.5 | Low | 78 Ų | 78 | 145.6 Ų | 145.6 | 42% | 0.417 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -76.7 | -32.6 | -178.4 | -160.3 | -109.7 | 0 | 0 | 0 | 112.6 | R81 | D77-R81 WeakPolarHBondContact O-CB 3.36Å; D77-R81 VanDerWaalsContact O-CG 3.28Å; D77-R81 WeakPolarHBondContact O-CG 3.4Å; D77-R81 PolarHBondContact O-N 2.96Å; D77-R81 IonicContact OD1-CZ 3.42Å; D77-R81 IonicContact OD1-NE 2.83Å; D77-R81 PolarHBondContact OD1-NE 3.42Å; D77-R81 IonicContact OD1-NH2 3.15Å; D77-R81 PolarHBondContact OD1-NH2 2.9Å |
| 78 | E | 51.8 | Low | 51.2 | Low | 113 Ų | 113 | 139.9 Ų | 139.9 | 53% | 0.528 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.7 | -37.6 | 178 | -79 | -66.7 | 110.9 | 0 | 0 | 112.5 | R81 K82 | E78-R81 PolarHBondContact O-N 3.01Å; E78-K82 WeakPolarHBondContact O-CB 3.48Å; E78-K82 PolarHBondContact O-N 3.3Å |
| 79 | D | 53.2 | Low | 52 | Low | 83 Ų | 83 | 141.8 Ų | 141.8 | 44% | 0.444 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70.7 | -39.9 | 178.3 | -139.4 | -83.6 | 0 | 0 | 0 | 111.5 | K82 K83 | D79-K82 PolarHBondContact O-N 3.48Å; D79-K83 WeakPolarHBondContact O-CB 3.29Å; D79-K83 WeakPolarHBondContact O-CG 3.28Å; D79-K83 PolarHBondContact O-N 2.96Å; D79-K83 WeakPolarHBondContact OD1-CE 3.21Å; D79-K83 IonicContact OD1-NZ 3.16Å; D79-K83 PolarHBondContact OD1-NZ 3.49Å |
| 80 | D | 56.2 | Low | 52.7 | Low | 78 Ų | 78 | 139.9 Ų | 139.9 | 42% | 0.417 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.4 | -39.6 | 173.6 | -84.1 | -58.9 | 0 | 0 | 0 | 112.4 | H76 K82 K83 R84 | H76-D80 IonicContact CE1-OD2 3.72Å; H76-D80 IonicContact ND1-OD2 2.73Å; H76-D80 PolarHBondContact ND1-OD2 2.97Å; H76-D80 VanDerWaalsContact ND1-OD2 3.16Å; H76-D80 PolarHBondContact O-N 3.16Å; H76-D80 VanDerWaalsContact O-OD2 3.12Å; D80-K82 PolarHBondContact O-N 3.48Å; D80-K83 PolarHBondContact O-N 3.25Å; D80-R84 VanDerWaalsContact O-CB 3.29Å; D80-R84 WeakPolarHBondContact O-CB 3.47Å; D80-R84 PolarHBondContact O-N 3.45Å |
| 81 | R | 58.5 | Low | 53.4 | Low | 135 Ų | 135 | 139.9 Ų | 139.9 | 51% | 0.509 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.4 | -41.1 | 171.6 | -80 | 178 | -168.7 | -166.7 | 5 | 112.3 | D77 E78 R84 R85 | D77-R81 WeakPolarHBondContact O-CB 3.36Å; D77-R81 VanDerWaalsContact O-CG 3.28Å; D77-R81 WeakPolarHBondContact O-CG 3.4Å; D77-R81 PolarHBondContact O-N 2.96Å; D77-R81 IonicContact OD1-CZ 3.42Å; D77-R81 IonicContact OD1-NE 2.83Å; D77-R81 PolarHBondContact OD1-NE 3.42Å; D77-R81 IonicContact OD1-NH2 3.15Å; D77-R81 PolarHBondContact OD1-NH2 2.9Å; E78-R81 PolarHBondContact O-N 3.01Å; R81-R84 PolarHBondContact O-N 2.9Å; R81-R85 WeakPolarHBondContact O-CB 3.32Å; R81-R85 WeakPolarHBondContact O-CG 3.34Å; R81-R85 PolarHBondContact O-N 3.44Å |
| 82 | K | 59.9 | Low | 54 | Low | 134 Ų | 134 | 134 Ų | 134 | 58% | 0.583 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.9 | -39.7 | 179.1 | -164.2 | 173.3 | -176.2 | 178.2 | 0 | 111.7 | E78 D79 D80 R85 K86 | E78-K82 WeakPolarHBondContact O-CB 3.48Å; E78-K82 PolarHBondContact O-N 3.3Å; D79-K82 PolarHBondContact O-N 3.48Å; D80-K82 PolarHBondContact O-N 3.48Å; K82-R85 PolarHBondContact O-N 3.23Å; K82-K86 PolarHBondContact O-N 3.45Å; K82-K86 VanDerWaalsContact O-N 3.09Å |
| 83 | K | 60.3 | Low | 54.5 | Low | 119 Ų | 119 | 134.1 Ų | 134.1 | 52% | 0.517 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65 | -42 | 172.8 | -75.3 | 173.1 | -174.5 | 161.8 | 0 | 112 | D79 D80 R85 K86 R87 | D79-K83 WeakPolarHBondContact O-CB 3.29Å; D79-K83 WeakPolarHBondContact O-CG 3.28Å; D79-K83 PolarHBondContact O-N 2.96Å; D79-K83 WeakPolarHBondContact OD1-CE 3.21Å; D79-K83 IonicContact OD1-NZ 3.16Å; D79-K83 PolarHBondContact OD1-NZ 3.49Å; D80-K83 PolarHBondContact O-N 3.25Å; K83-R85 PolarHBondContact O-N 3.03Å; K83-K86 PolarHBondContact O-N 3.28Å; K83-R87 PolarHBondContact O-N 3.14Å |
| 84 | R | 59 | Low | 54.9 | Low | 175 Ų | 175 | 132.4 Ų | 132.4 | 66% | 0.66 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.1 | -36.9 | 177.5 | -159.4 | 172.6 | 177.8 | -130.9 | 2.8 | 112.3 | D80 R81 K88 | D80-R84 VanDerWaalsContact O-CB 3.29Å; D80-R84 WeakPolarHBondContact O-CB 3.47Å; D80-R84 PolarHBondContact O-N 3.45Å; R81-R84 PolarHBondContact O-N 2.9Å; R84-K88 PolarHBondContact O-N 3.25Å |
| 85 | R | 60.1 | Low | 55.4 | Low | 195 Ų | 195 | 130.1 Ų | 130.1 | 74% | 0.736 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.5 | -40.6 | 172.3 | -75.3 | 177.2 | 178 | -171.9 | 1.5 | 112.6 | R81 K82 K83 K88 K89 | R81-R85 WeakPolarHBondContact O-CB 3.32Å; R81-R85 WeakPolarHBondContact O-CG 3.34Å; R81-R85 PolarHBondContact O-N 3.44Å; K82-R85 PolarHBondContact O-N 3.23Å; K83-R85 PolarHBondContact O-N 3.03Å; R85-K88 PolarHBondContact O-N 3.31Å; R85-K89 PolarHBondContact O-N 3.48Å |
| 86 | K | 59.2 | Low | 55.7 | Low | 149 Ų | 149 | 135.3 Ų | 135.3 | 65% | 0.648 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.3 | -41.4 | 175.6 | -75.3 | -178.5 | 179.2 | -179.4 | 0 | 112.8 | K82 K83 K88 K89 S90 | K82-K86 PolarHBondContact O-N 3.45Å; K82-K86 VanDerWaalsContact O-N 3.09Å; K83-K86 PolarHBondContact O-N 3.28Å; K86-K88 VanDerWaalsContact C-N 3.35Å; K86-K88 PolarHBondContact O-N 3.09Å; K86-K89 PolarHBondContact O-N 3.49Å; K86-S90 PolarHBondContact O-N 2.97Å |
| 87 | R | 58.8 | Low | 55.8 | Low | 190 Ų | 190 | 137.8 Ų | 137.8 | 72% | 0.717 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.5 | -33.1 | 176.6 | -77.4 | -177.9 | 173.1 | -177.4 | -1.4 | 113.4 | K83 S90 | K83-R87 PolarHBondContact O-N 3.14Å; R87-S90 PolarHBondContact O-OG 3.25Å |
| 88 | K | 59.3 | Low | 55.8 | Low | 139 Ų | 139 | 143.7 Ų | 143.7 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.6 | -38.2 | 175 | -72.4 | -174.7 | 177.5 | -171.2 | 0 | 112.2 | R84 R85 K86 S90 | R84-K88 PolarHBondContact O-N 3.25Å; R85-K88 PolarHBondContact O-N 3.31Å; K86-K88 VanDerWaalsContact C-N 3.35Å; K86-K88 PolarHBondContact O-N 3.09Å; K88-S90 PolarHBondContact O-N 3.45Å |
| 89 | K | 57.6 | Low | 55.4 | Low | 145 Ų | 145 | 143.7 Ų | 143.7 | 63% | 0.63 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.5 | -24.6 | -179.7 | -168.3 | 156.1 | -176.2 | 168.6 | 0 | 114.2 | R85 K86 | R85-K89 PolarHBondContact O-N 3.48Å; K86-K89 PolarHBondContact O-N 3.49Å |
| 90 | S | 57.4 | Low | 55.1 | Low | 73 Ų | 73 | 144.4 Ų | 144.4 | 51% | 0.51 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -81.1 | -30 | 176.2 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | K86 R87 K88 R93 K94 | K86-S90 PolarHBondContact O-N 2.97Å; R87-S90 PolarHBondContact O-OG 3.25Å; K88-S90 PolarHBondContact O-N 3.45Å; S90-R93 PolarHBondContact O-N 3.28Å; S90-K94 PolarHBondContact O-N 2.96Å |
| 91 | K | 57.8 | Low | 54.6 | Low | 160 Ų | 160 | 146 Ų | 146 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.1 | -39.8 | 174.9 | -71.8 | -176 | 176.9 | -169.5 | 0 | 112.1 | R93 K94 S95 | K91-R93 VanDerWaalsContact C-N 3.28Å; K91-R93 PolarHBondContact O-N 3.32Å; K91-K94 PolarHBondContact O-N 3.38Å; K91-K94 VanDerWaalsContact O-N 3.15Å; K91-S95 PolarHBondContact O-N 3.15Å |
| 92 | D | 54.5 | Low | 53.6 | Low | 110 Ų | 110 | 145.5 Ų | 145.5 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.8 | -27.1 | 178.6 | -160.8 | -106.1 | 0 | 0 | 0 | 113.4 | S95 | D92-S95 PolarHBondContact O-OG 3.43Å; D92-S95 VanDerWaalsContact O-OG 3.11Å |
| 93 | R | 55.7 | Low | 52.4 | Low | 183 Ų | 183 | 144.9 Ų | 144.9 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -82.1 | -19.4 | 174.1 | -72.8 | -176.3 | 173.1 | -174.5 | -3.9 | 114 | S90 K91 | S90-R93 PolarHBondContact O-N 3.28Å; K91-R93 VanDerWaalsContact C-N 3.28Å; K91-R93 PolarHBondContact O-N 3.32Å |
| 94 | K | 50.5 | Low | 51.3 | Low | 150 Ų | 150 | 147 Ų | 147 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -83.8 | -30.5 | 178.9 | -167.1 | 95.8 | 177.7 | -172.5 | 0 | 111.7 | S90 K91 R96 | S90-K94 PolarHBondContact O-N 2.96Å; K91-K94 PolarHBondContact O-N 3.38Å; K91-K94 VanDerWaalsContact O-N 3.15Å; K94-R96 VanDerWaalsContact C-N 3.35Å |
| 95 | S | 52.3 | Low | 50.4 | Low | 78 Ų | 78 | 145.5 Ų | 145.5 | 55% | 0.545 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -71.7 | -28.2 | 174.1 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | K91 D92 K97 R98 | K91-S95 PolarHBondContact O-N 3.15Å; D92-S95 PolarHBondContact O-OG 3.43Å; D92-S95 VanDerWaalsContact O-OG 3.11Å; S95-K97 PolarHBondContact O-N 3.11Å; S95-R98 PolarHBondContact O-N 3.35Å |
| 96 | R | 51.7 | Low | 49.7 | Very low | 210 Ų | 210 | 144.2 Ų | 144.2 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 0.4 | -179 | -129.2 | 176.3 | -170.5 | 169.1 | 2.2 | 115.9 | K94 | K94-R96 VanDerWaalsContact C-N 3.35Š|
| 97 | K | 50.3 | Low | 49.2 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 10.3 | 175.3 | -71 | -157.4 | 176.9 | -162.4 | 0 | 114 | S95 | S95-K97 PolarHBondContact O-N 3.11Š|
| 98 | R | 48.8 | Very low | 48.2 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | | | trans | -119.8 | 13 | -175.9 | -90.2 | -170.8 | 177.1 | 155 | -4 | 116.1 | S95 A100 | S95-R98 PolarHBondContact O-N 3.35Å; R98-A100 PolarHBondContact O-N 3.36Å |
| 99 | S | 42.7 | Very low | 47.8 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | trans | -99.9 | 72.1 | 168.2 | 49 | 0 | 0 | 0 | 0 | 109.8 | | |
| 100 | A | 47.5 | Very low | 47 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -144 | 67.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | R98 | R98-A100 PolarHBondContact O-N 3.36Š|
| 101 | S | 45.9 | Very low | 46.2 | Very low | 112 Ų | 112 | 155.8 Ų | 155.8 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -165.9 | 95.2 | 157.9 | 65.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 102 | S | 36.2 | Very low | 45.5 | Very low | 124 Ų | 124 | 157.7 Ų | 157.7 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -128.7 | 114.7 | 150.3 | -175.6 | 0 | 0 | 0 | 0 | 105 | | |
| 103 | S | 35.7 | Very low | 44.5 | Very low | 121 Ų | 121 | 159 Ų | 159 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.7 | -172.6 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 104 | D | 37.6 | Very low | 43.8 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 145.7 | 177.6 | -151.3 | -113.3 | 0 | 0 | 0 | 110.3 | | |
| 105 | D | 39.8 | Very low | 43.1 | Very low | 144 Ų | 144 | 156.4 Ų | 156.4 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 123.6 | -176.9 | -157.1 | -97.4 | 0 | 0 | 0 | 111 | | |
| 106 | E | 44.8 | Very low | 42.2 | Very low | 167 Ų | 167 | 157.7 Ų | 157.7 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | 56.7 | 148.8 | 155.1 | -81.7 | -84.2 | 104 | 0 | 0 | 122.6 | | |
| 107 | P | 48.8 | Very low | 41.3 | Very low | 100 Ų | 100 | 153.2 Ų | 153.2 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | | | trans | -94 | 123 | -169.7 | 35.8 | -29 | 0 | 0 | 0 | 112.6 | | |
| 108 | K | 38.5 | Very low | 40.5 | Very low | 211 Ų | 211 | 149.4 Ų | 149.4 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | -112.7 | 108.6 | 162.7 | -72.6 | -169 | -179.1 | 175.8 | 0 | 112 | | |
| 109 | K | 49.6 | Very low | 39.8 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -40.1 | 134.9 | 163.9 | -55.7 | -179.8 | -179.6 | 177.3 | 0 | 110.9 | | |
| 110 | R | 40.7 | Very low | 39.4 | Very low | 246 Ų | 246 | 143.8 Ų | 143.8 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | | | | 176.6 | 120.6 | 123.1 | -95 | 159.6 | 151.8 | -115.3 | -8.1 | 114.8 | | |
| 111 | K | 40.3 | Very low | 38.8 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -6.6 | 136.9 | 152 | -71.5 | 175.1 | 173.1 | 176.4 | 0 | 120.2 | | |
| 112 | K | 43.7 | Very low | 38.5 | Very low | 201 Ų | 201 | 147.3 Ų | 147.3 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | 51.9 | 124.5 | 131.1 | -62.7 | -173 | 176.6 | -172.5 | 0 | 119.5 | | |
| 113 | H | 34.1 | Very low | 38.7 | Very low | 136 Ų | 136 | 147 Ų | 147 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | | | | 171.1 | 127.8 | 115.7 | 148.2 | -73 | 0 | 0 | 0 | 112.4 | R115 | H113-R115 PolarHBondContact NE2-NE 3.43Å; H113-R115 PolarHBondContact NE2-NH2 3.18Å |
| 114 | S | 40 | Very low | 39.4 | Very low | 81 Ų | 81 | 147.4 Ų | 147.4 | 57% | 0.566 | 75% | 0.752 | S | S | * | * | | | trans | -13.9 | 160.3 | 159.4 | 56.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 115 | R | 35.5 | Very low | 39.7 | Very low | 199 Ų | 199 | 148.9 Ų | 148.9 | 75% | 0.751 | 75% | 0.745 | S | S | * | * | | | trans | 95.6 | 97.6 | 133.2 | 82.8 | -152.5 | 159.3 | 134.2 | -3 | 121.6 | H113 | H113-R115 PolarHBondContact NE2-NE 3.43Å; H113-R115 PolarHBondContact NE2-NH2 3.18Å |
| 116 | S | 33.3 | Very low | 40.3 | Very low | 105 Ų | 105 | 153.1 Ų | 153.1 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | 53.8 | 134.2 | 122.3 | 56.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 117 | S | 33.8 | Very low | 40.6 | Very low | 115 Ų | 115 | 154.1 Ų | 154.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | | 101 | 144.5 | 129.8 | 72.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 118 | S | 32.8 | Very low | 40.8 | Very low | 116 Ų | 116 | 159.5 Ų | 159.5 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | 88.3 | 129.9 | 164.3 | -131.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 119 | S | 34.8 | Very low | 41.5 | Very low | 94 Ų | 94 | 158.1 Ų | 158.1 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | | | cis | -167 | 141.7 | 19.1 | -163.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 120 | S | 33.5 | Very low | 41.8 | Very low | 103 Ų | 103 | 158.9 Ų | 158.9 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | 58.7 | 144.6 | 136.2 | -59.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 121 | D | 35.6 | Very low | 42.2 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | cis | -174.4 | 155.1 | -9.8 | -132.6 | -138.5 | 0 | 0 | 0 | 105 | | |
| 122 | E | 38.9 | Very low | 42.7 | Very low | 150 Ų | 150 | 151 Ų | 151 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | 85.6 | 130 | 144.9 | -65.8 | -67.2 | 93 | 0 | 0 | 125 | | |
| 123 | E | 40.7 | Very low | 43.3 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 55% | 0.551 | 75% | 0.751 | S | S | * | * | | | trans | 84.9 | 95.1 | 140.8 | -76.1 | -88.6 | 101.1 | 0 | 0 | 120.2 | R125 | E123-R125 IonicContact OE1-NH2 3.95Å; E123-R125 IonicContact OE2-CZ 3.05Å; E123-R125 IonicContact OE2-NE 2.84Å; E123-R125 PolarHBondContact OE2-NE 3.46Å; E123-R125 IonicContact OE2-NH2 2.82Å; E123-R125 PolarHBondContact OE2-NH2 3.26Å |
| 124 | D | 49.6 | Very low | 44.3 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | | | trans | -33.8 | 135.3 | 135.3 | -153.2 | -66.4 | 0 | 0 | 0 | 112.7 | | |
| 125 | R | 45.3 | Very low | 45.2 | Very low | 195 Ų | 195 | 159.3 Ų | 159.3 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -176 | 104.4 | 142.7 | -99.9 | 163 | -140 | -140.4 | 5.2 | 111.6 | E123 K127 | E123-R125 IonicContact OE1-NH2 3.95Å; E123-R125 IonicContact OE2-CZ 3.05Å; E123-R125 IonicContact OE2-NE 2.84Å; E123-R125 PolarHBondContact OE2-NE 3.46Å; E123-R125 IonicContact OE2-NH2 2.82Å; E123-R125 PolarHBondContact OE2-NH2 3.26Å; R125-K127 PolarHBondContact O-N 3.44Å |
| 126 | R | 51.6 | Low | 46.3 | Very low | 232 Ų | 232 | 159.6 Ų | 159.6 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | -45.1 | 122 | 158.2 | -63.5 | 171.3 | 174.2 | -161.6 | -1.9 | 111.6 | | |
| 127 | K | 50.9 | Low | 47.4 | Very low | 188 Ų | 188 | 159.8 Ų | 159.8 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | | | trans | -145.9 | 100 | 145.7 | -69.1 | -167.2 | -179.5 | 169.7 | 0 | 111.6 | R125 K129 | R125-K127 PolarHBondContact O-N 3.44Å; K127-K129 PolarHBondContact O-N 3.21Å |
| 128 | K | 53.6 | Low | 48.6 | Very low | 214 Ų | 214 | 164.3 Ų | 164.3 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | | | trans | -56.2 | 119.8 | 155.2 | -76.4 | -179.7 | 175.6 | 173.8 | 0 | 108.1 | | |
| 129 | K | 53.8 | Low | 50.2 | Low | 182 Ų | 182 | 168.1 Ų | 168.1 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -130.7 | 111.7 | 159 | -99.7 | -174.2 | 174.7 | -177.4 | 0 | 109.8 | K127 | K127-K129 PolarHBondContact O-N 3.21Š|
| 130 | K | 54.5 | Low | 51.1 | Low | 211 Ų | 211 | 169.7 Ų | 169.7 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | trans | -78.2 | 123.5 | 160 | -67.8 | -172.1 | 176.8 | -176.8 | 0 | 107.7 | | |
| 131 | Q | 50.3 | Low | 52.3 | Low | 171 Ų | 171 | 174.7 Ų | 174.7 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | | | trans | -176.9 | 140.3 | 166.1 | -111.2 | -175 | -21.7 | 0 | 0 | 105.6 | | |
| 132 | S | 51.3 | Low | 53.3 | Low | 97 Ų | 97 | 177.7 Ų | 177.7 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | | | cis | -165.7 | 149.8 | -0.5 | 44.1 | 0 | 0 | 0 | 0 | 105.7 | K134 | S132-K134 PolarHBondContact O-N 3.49Å; S132-K134 VanDerWaalsContact O-N 3.07Å |
| 133 | H | 55.1 | Low | 54 | Low | 193 Ų | 193 | 179.5 Ų | 179.5 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | | | trans | -68 | 103.4 | 175.6 | -72.3 | -88.7 | 0 | 0 | 0 | 110.4 | | |
| 134 | K | 54.6 | Low | 54.7 | Low | 197 Ų | 197 | 182.5 Ų | 182.5 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | | | trans | -95.3 | 95.2 | 169.3 | -159.9 | 161.5 | -173.9 | 172.4 | 0 | 109.6 | S132 K136 | S132-K134 PolarHBondContact O-N 3.49Å; S132-K134 VanDerWaalsContact O-N 3.07Å; K134-K136 PolarHBondContact O-N 3.27Å; K134-K136 VanDerWaalsContact O-N 3.17Å |
| 135 | K | 60.2 | Low | 54.7 | Low | 201 Ų | 201 | 179.6 Ų | 179.6 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | | | trans | -61.6 | 111.8 | 168.4 | -70 | -174.6 | 179.6 | 178.1 | 0 | 108.2 | S137 | K135-S137 PolarHBondContact O-N 3.39Š|
| 136 | K | 58.7 | Low | 55.1 | Low | 205 Ų | 205 | 180.3 Ų | 180.3 | 89% | 0.891 | 85% | 0.847 | S | S | * | * | | | trans | -73.7 | 115.6 | 172.8 | -112.5 | 175.8 | 177.9 | 175.4 | 0 | 108.7 | K134 | K134-K136 PolarHBondContact O-N 3.27Å; K134-K136 VanDerWaalsContact O-N 3.17Å |
| 137 | S | 54.9 | Low | 54.8 | Low | 110 Ų | 110 | 176.8 Ų | 176.8 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 137.3 | 173.3 | 37.8 | 0 | 0 | 0 | 0 | 111.6 | K135 | K135-S137 PolarHBondContact O-N 3.39Š|
| 138 | K | 59.8 | Low | 55 | Low | 209 Ų | 209 | 177.2 Ų | 177.2 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 126 | 172 | -70.6 | 179.4 | 176.9 | 177.5 | 0 | 108.8 | | |
| 139 | K | 67.4 | Low | 55.2 | Low | 197 Ų | 197 | 175.7 Ų | 175.7 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 131.5 | 165.3 | -69.6 | -177 | 174.1 | -174.2 | 0 | 109 | | |
| 140 | P | 52.4 | Low | 55.2 | Low | 127 Ų | 127 | 176.2 Ų | 176.2 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 135.7 | 166.7 | 29 | -30.7 | 0 | 0 | 0 | 110 | | |
| 141 | K | 60 | Low | 55.3 | Low | 208 Ų | 208 | 175.6 Ų | 175.6 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 133 | 171.7 | -78.7 | -179.1 | 173.3 | 179.9 | 0 | 108.7 | E143 | K141-E143 PolarHBondContact O-N 3.17Š|
| 142 | K | 56 | Low | 55.7 | Low | 198 Ų | 198 | 175.1 Ų | 175.1 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 126.3 | 170 | -77.4 | 179.1 | 170.5 | -177.7 | 0 | 109.9 | H144 | K142-H144 PolarHBondContact O-N 3.07Š|
| 143 | E | 53.2 | Low | 56 | Low | 187 Ų | 187 | 181.3 Ų | 181.3 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | | | trans | -76.9 | 113.3 | 170.3 | -159.7 | -175.4 | 174.8 | 0 | 0 | 108 | K141 G145 | K141-E143 PolarHBondContact O-N 3.17Å; E143-G145 PolarHBondContact O-N 3.37Å |
| 144 | H | 55.5 | Low | 56.1 | Low | 181 Ų | 181 | 181.4 Ų | 181.4 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | | | trans | -80.1 | 103.2 | 170 | -96.5 | -88.6 | 0 | 0 | 0 | 108.1 | K142 | K142-H144 PolarHBondContact O-N 3.07Š|
| 145 | G | 48.7 | Very low | 56 | Low | 68 Ų | 68 | 183 Ų | 183 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | | | trans | -60.6 | 140.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | E143 | E143-G145 PolarHBondContact O-N 3.37Š|
| 146 | K | 54.6 | Low | 55.6 | Low | 211 Ų | 211 | 182.1 Ų | 182.1 | 92% | 0.917 | 84% | 0.838 | S | S | * | * | | | trans | -70.9 | 131 | -179.3 | -59.6 | 167.7 | -178.1 | 174.2 | 0 | 110.1 | | |
| 147 | H | 45.7 | Very low | 55.1 | Low | 158 Ų | 158 | 181 Ų | 181 | 73% | 0.731 | 84% | 0.836 | S | S | * | * | | | trans | -135.4 | 89.1 | 164.9 | -171.4 | -91.9 | 0 | 0 | 0 | 110.1 | | |
| 148 | H | 54.8 | Low | 54.5 | Low | 196 Ų | 196 | 185 Ų | 185 | 91% | 0.907 | 84% | 0.839 | S | S | * | * | | | trans | -113.1 | 110.3 | 160.6 | -81.6 | -72.3 | 0 | 0 | 0 | 109.7 | K150 | H148-K150 PolarHBondContact O-N 3.32Š|
| 149 | K | 58 | Low | 53.6 | Low | 182 Ų | 182 | 179.9 Ų | 179.9 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | | | trans | -47.6 | 114.9 | -178.1 | -164.5 | 167.9 | -177.4 | 172.9 | 0 | 112.7 | K151 | K149-K151 PolarHBondContact O-N 3.3Š|
| 150 | K | 54.5 | Low | 52.5 | Low | 194 Ų | 194 | 175.7 Ų | 175.7 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | trans | -66.6 | 106.1 | 168.4 | -174.1 | 176.9 | 179 | -177.6 | 0 | 108.5 | H148 E152 | H148-K150 PolarHBondContact O-N 3.32Å; K150-E152 PolarHBondContact O-N 2.82Å |
| 151 | K | 55.3 | Low | 52.1 | Low | 197 Ų | 197 | 175.3 Ų | 175.3 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | | | trans | -77.1 | 102.4 | 173.9 | -172.3 | 174.5 | -179.4 | 176.9 | 0 | 108.4 | K149 R153 | K149-K151 PolarHBondContact O-N 3.3Å; K151-R153 PolarHBondContact O-N 2.83Å |
| 152 | E | 59.4 | Low | 51.3 | Low | 161 Ų | 161 | 170.4 Ų | 170.4 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | | | trans | -60.1 | 118 | 173.6 | -69.5 | -167.8 | 127.2 | 0 | 0 | 110.8 | K150 K154 | K150-E152 PolarHBondContact O-N 2.82Å; E152-K154 PolarHBondContact O-N 3.01Å |
| 153 | R | 58.3 | Low | 50.8 | Low | 228 Ų | 228 | 165.8 Ų | 165.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -80.2 | 99 | 163.8 | -73.2 | -178.9 | 167.9 | -175.9 | -4.5 | 107.2 | K151 R155 | K151-R153 PolarHBondContact O-N 2.83Å; R153-R155 PolarHBondContact O-N 3.25Å |
| 154 | K | 56.5 | Low | 50.3 | Low | 194 Ų | 194 | 161.5 Ų | 161.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -59.6 | 99.7 | 167.3 | -73.2 | -174.1 | 175.9 | -177.1 | 0 | 109.1 | E152 | E152-K154 PolarHBondContact O-N 3.01Š|
| 155 | R | 52.9 | Low | 49.6 | Very low | 230 Ų | 230 | 158.4 Ų | 158.4 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | -88.9 | 98.5 | 158.7 | -74 | -176.1 | 174.8 | 171.6 | -2.4 | 106.8 | R153 | R153-R155 PolarHBondContact O-N 3.25Š|
| 156 | K | 51.3 | Low | 49.7 | Very low | 184 Ų | 184 | 159.3 Ų | 159.3 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | trans | -60.7 | 130.5 | 159 | -74.9 | 177.1 | 171.6 | -179.1 | 0 | 107 | | |
| 157 | H | 47.6 | Very low | 49.4 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -176.6 | 114.9 | 140 | -77.2 | -54.9 | 0 | 0 | 0 | 105.3 | | |
| 158 | K | 41.8 | Very low | 49.5 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | | 61.5 | 110.7 | 100.5 | -140.7 | 92.7 | 172.2 | -175.9 | 0 | 108.6 | | |
| 159 | S | 41.5 | Very low | 49.2 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | | 178.9 | 158.3 | 50.7 | 32.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 160 | S | 44.7 | Very low | 48.9 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | 59.5 | 100.7 | 144.3 | 58.5 | 0 | 0 | 0 | 0 | 120 | | |
| 161 | S | 43.6 | Very low | 49 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | -132 | 87.7 | 148.8 | 60.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 162 | S | 44.4 | Very low | 48.7 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -67.6 | 127.1 | 157 | 40 | 0 | 0 | 0 | 0 | 108.7 | | |
| 163 | S | 43.6 | Very low | 48.4 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | | | trans | 15.6 | 134.6 | 144.7 | 56 | 0 | 0 | 0 | 0 | 116.6 | | |
| 164 | S | 43.1 | Very low | 47.9 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | | -179.4 | 157.2 | 64.2 | -46.2 | 0 | 0 | 0 | 0 | 110 | | |
| 165 | S | 40.9 | Very low | 47.5 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | 81.7 | 133.8 | 132.7 | 61.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 166 | A | 50.4 | Low | 47.2 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | | | trans | 106.4 | 93.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 167 | S | 49.8 | Very low | 46.9 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | | | | 89.5 | 96.1 | 81.5 | -75.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 168 | E | 46.8 | Very low | 46.9 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | | 76.2 | 135.2 | 87.8 | 85 | -161 | 87.9 | 0 | 0 | 113.3 | | |
| 169 | S | 49.6 | Very low | 47.2 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | 127.8 | 95.6 | 169.9 | -58 | 0 | 0 | 0 | 0 | 110.4 | | |
| 170 | S | 51.7 | Low | 47.6 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | | 69 | 110.1 | 74.8 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 171 | E | 56 | Low | 47.9 | Very low | 201 Ų | 201 | 127.6 Ų | 127.6 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | | | | 179 | 145 | 117.2 | -96.5 | -159.1 | 105.6 | 0 | 0 | 112.1 | | |
| 172 | S | 49.4 | Very low | 48.2 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -84.7 | 156.2 | -175.7 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 173 | D | 52.8 | Low | 48.6 | Very low | 239 Ų | 239 | 130.4 Ų | 130.4 | 100% | 1.278 | 81% | 0.808 | S | S | * | * | | | trans | -143.7 | 0 | 135.8 | -163.9 | -109.1 | 0 | 0 | 0 | 108.3 | | |