| 1 | M | 68.6 | Low | 81.2 | Confident | 224 Ų | 224 | 117.6 Ų | 117.6 | 100% | 1.103 | 61% | 0.614 | S | S | * | * | | | | 0 | 46.8 | 0 | -59.1 | -92.2 | -104.2 | 0 | 0 | 110.4 | | |
| 2 | G | 78.1 | Confident | 81.6 | Confident | 40 Ų | 40 | 115 Ų | 115 | 41% | 0.412 | 60% | 0.596 | S | S | . | * | | | trans | -117.8 | -37.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | D4 T5 D6 | G2-D4 PolarHBondContact O-N 3.26Å; G2-T5 PolarHBondContact O-N 3.26Å; G2-D6 PolarHBondContact O-N 3.48Å |
| 3 | Q | 75.2 | Confident | 81.7 | Confident | 169 Ų | 169 | 114.4 Ų | 114.4 | 79% | 0.79 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.8 | -36.1 | -175.9 | -115.4 | 151.8 | 51.2 | 0 | 0 | 114 | T5 D6 M7 | Q3-T5 VanDerWaalsContact C-N 3.33Å; Q3-D6 PolarHBondContact O-N 3Å; Q3-M7 PolarHBondContact O-N 3.26Å |
| 4 | D | 75.8 | Confident | 81.8 | Confident | 103 Ų | 103 | 115.8 Ų | 115.8 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.5 | -36.2 | 179.8 | -52.5 | -60.7 | 0 | 0 | 0 | 111.6 | G2 M7 L8 | G2-D4 PolarHBondContact O-N 3.26Å; D4-M7 PolarHBondContact O-N 3.42Å; D4-L8 WeakPolarHBondContact O-CB 3.45Å; D4-L8 VanDerWaalsContact O-CG 3.23Å; D4-L8 WeakPolarHBondContact O-CG 3.34Å; D4-L8 PolarHBondContact O-N 3.26Å |
| 5 | T | 80.7 | Confident | 81.7 | Confident | 93 Ų | 93 | 114.7 Ų | 114.7 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.7 | -41 | 176.7 | -49.2 | 0 | 0 | 0 | 0 | 111.1 | G2 Q3 L8 N9 | G2-T5 PolarHBondContact O-N 3.26Å; Q3-T5 VanDerWaalsContact C-N 3.33Å; T5-L8 PolarHBondContact O-N 3.26Å; T5-N9 WeakPolarHBondContact O-CB 3.44Å; T5-N9 PolarHBondContact O-N 3.38Å |
| 6 | D | 83.8 | Confident | 81.5 | Confident | 102 Ų | 102 | 119 Ų | 119 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.1 | -43.9 | 175.8 | -69.6 | -37 | 0 | 0 | 0 | 111.1 | G2 Q3 N9 T10 | G2-D6 PolarHBondContact O-N 3.48Å; Q3-D6 PolarHBondContact O-N 3Å; D6-N9 PolarHBondContact O-N 3.4Å; D6-T10 PolarHBondContact O-N 2.67Å; D6-T10 PolarHBondContact O-OG1 2.85Å; D6-T10 VanDerWaalsContact O-OG1 3.05Å |
| 7 | M | 90.7 | Very high | 81 | Confident | 130 Ų | 130 | 117.5 Ų | 117.5 | 64% | 0.64 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65 | -42.2 | 178.8 | -148.2 | -154 | -46.1 | 0 | 0 | 111.9 | Q3 D4 N9 T10 Y11 | Q3-M7 PolarHBondContact O-N 3.26Å; D4-M7 PolarHBondContact O-N 3.42Å; M7-N9 VanDerWaalsContact C-N 3.33Å; M7-N9 PolarHBondContact O-N 3.47Å; M7-T10 PolarHBondContact O-N 3.23Å; M7-Y11 WeakPolarHBondContact O-CB 3.5Å; M7-Y11 PolarHBondContact O-N 3.46Å |
| 8 | L | 85 | Confident | 80.1 | Confident | 107 Ų | 107 | 116.2 Ų | 116.2 | 56% | 0.56 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65 | -36.3 | 175.9 | -73.9 | 173.4 | 0 | 0 | 0 | 112.1 | D4 T5 Q12 | D4-L8 WeakPolarHBondContact O-CB 3.45Å; D4-L8 VanDerWaalsContact O-CG 3.23Å; D4-L8 WeakPolarHBondContact O-CG 3.34Å; D4-L8 PolarHBondContact O-N 3.26Å; T5-L8 PolarHBondContact O-N 3.26Å; L8-Q12 WeakPolarHBondContact O-CB 3.42Å; L8-Q12 VanDerWaalsContact O-CG 3.28Å; L8-Q12 WeakPolarHBondContact O-CG 3.27Å; L8-Q12 PolarHBondContact O-N 3.1Å |
| 9 | N | 84.6 | Confident | 79.4 | Confident | 82 Ų | 82 | 116.7 Ų | 116.7 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.4 | -45.3 | 175.3 | -179.6 | 34.2 | 0 | 0 | 0 | 111.5 | T5 D6 M7 Y11 Q12 Q13 | T5-N9 WeakPolarHBondContact O-CB 3.44Å; T5-N9 PolarHBondContact O-N 3.38Å; D6-N9 PolarHBondContact O-N 3.4Å; M7-N9 VanDerWaalsContact C-N 3.33Å; M7-N9 PolarHBondContact O-N 3.47Å; N9-Y11 VanDerWaalsContact C-N 3.34Å; N9-Y11 PolarHBondContact O-N 2.99Å; N9-Q12 PolarHBondContact O-N 3Å; N9-Q13 PolarHBondContact ND2-NE2 2.82Å; N9-Q13 WeakPolarHBondContact O-CB 3.48Å; N9-Q13 WeakPolarHBondContact O-CG 3.49Å; N9-Q13 PolarHBondContact O-N 2.77Å; N9-Q13 PolarHBondContact OD1-NE2 3.31Å; N9-Q13 VanDerWaalsContact OD1-NE2 3.1Å |
| 10 | T | 84.1 | Confident | 78.5 | Confident | 82 Ų | 82 | 116 Ų | 116 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.3 | -43.9 | 175.5 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | D6 M7 Q13 L14 | D6-T10 PolarHBondContact O-N 2.67Å; D6-T10 PolarHBondContact O-OG1 2.85Å; D6-T10 VanDerWaalsContact O-OG1 3.05Å; M7-T10 PolarHBondContact O-N 3.23Å; T10-Q13 PolarHBondContact O-N 3.38Å; T10-L14 PolarHBondContact O-N 3.42Å |
| 11 | Y | 86.4 | Confident | 77.8 | Confident | 162 Ų | 162 | 118.7 Ų | 118.7 | 64% | 0.635 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.7 | -45.3 | 177.3 | -174 | -97.1 | 0 | 0 | 0 | 111.8 | M7 N9 Q13 L14 V15 | M7-Y11 WeakPolarHBondContact O-CB 3.5Å; M7-Y11 PolarHBondContact O-N 3.46Å; N9-Y11 VanDerWaalsContact C-N 3.34Å; N9-Y11 PolarHBondContact O-N 2.99Å; Y11-Q13 VanDerWaalsContact C-N 3.32Å; Y11-Q13 PolarHBondContact O-N 3.37Å; Y11-L14 PolarHBondContact O-N 3.48Å; Y11-V15 HydrophobicContact CD1-CG2 4.08Å; Y11-V15 HydrophobicContact CE1-CG2 3.69Å; Y11-V15 HydrophobicContact CE2-CG2 4.39Å; Y11-V15 WeakPolarHBondContact O-CG2 3.32Å; Y11-V15 PolarHBondContact O-N 3.15Å |
| 12 | Q | 85.8 | Confident | 77.2 | Confident | 86 Ų | 86 | 113.7 Ų | 113.7 | 40% | 0.402 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63 | -38.1 | 175.9 | -77.3 | -174.3 | 64.6 | 0 | 0 | 112.4 | L8 N9 R16 | L8-Q12 WeakPolarHBondContact O-CB 3.42Å; L8-Q12 VanDerWaalsContact O-CG 3.28Å; L8-Q12 WeakPolarHBondContact O-CG 3.27Å; L8-Q12 PolarHBondContact O-N 3.1Å; N9-Q12 PolarHBondContact O-N 3Å; Q12-R16 VanDerWaalsContact O-CB 3.22Å; Q12-R16 WeakPolarHBondContact O-CB 2.97Å; Q12-R16 WeakPolarHBondContact O-CG 3.36Å; Q12-R16 PolarHBondContact O-N 3.29Å; Q12-R16 VanDerWaalsContact OE1-NH2 3.1Å |
| 13 | Q | 82.8 | Confident | 76.3 | Confident | 107 Ų | 107 | 115.3 Ų | 115.3 | 50% | 0.5 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.8 | -40.5 | 174.1 | -75.1 | -178.2 | 59.4 | 0 | 0 | 111.5 | N9 T10 Y11 R16 T17 | N9-Q13 PolarHBondContact ND2-NE2 2.82Å; N9-Q13 WeakPolarHBondContact O-CB 3.48Å; N9-Q13 WeakPolarHBondContact O-CG 3.49Å; N9-Q13 PolarHBondContact O-N 2.77Å; N9-Q13 PolarHBondContact OD1-NE2 3.31Å; N9-Q13 VanDerWaalsContact OD1-NE2 3.1Å; T10-Q13 PolarHBondContact O-N 3.38Å; Y11-Q13 VanDerWaalsContact C-N 3.32Å; Y11-Q13 PolarHBondContact O-N 3.37Å; Q13-R16 PolarHBondContact O-N 3.43Å; Q13-T17 WeakPolarHBondContact O-CB 3.41Å; Q13-T17 PolarHBondContact O-N 3.47Å; Q13-T17 PolarHBondContact O-OG1 3.47Å |
| 14 | L | 83.7 | Confident | 75.5 | Confident | 134 Ų | 134 | 113.2 Ų | 113.2 | 70% | 0.702 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -41.9 | 177.8 | -125.5 | 69.3 | 0 | 0 | 0 | 112.8 | T10 Y11 | T10-L14 PolarHBondContact O-N 3.42Å; Y11-L14 PolarHBondContact O-N 3.48Å |
| 15 | V | 80.3 | Confident | 74.4 | Confident | 99 Ų | 99 | 113.4 Ų | 113.4 | 60% | 0.6 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.6 | -34.2 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | Y11 | Y11-V15 HydrophobicContact CD1-CG2 4.08Å; Y11-V15 HydrophobicContact CE1-CG2 3.69Å; Y11-V15 HydrophobicContact CE2-CG2 4.39Å; Y11-V15 WeakPolarHBondContact O-CG2 3.32Å; Y11-V15 PolarHBondContact O-N 3.15Å |
| 16 | R | 78.7 | Confident | 73.3 | Confident | 184 Ų | 184 | 114 Ų | 114 | 69% | 0.694 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -85.5 | -18.7 | -179.4 | -71.2 | 178.7 | -178.2 | 169.3 | 6.6 | 114 | Q12 Q13 P18 | Q12-R16 VanDerWaalsContact O-CB 3.22Å; Q12-R16 WeakPolarHBondContact O-CB 2.97Å; Q12-R16 WeakPolarHBondContact O-CG 3.36Å; Q12-R16 PolarHBondContact O-N 3.29Å; Q12-R16 VanDerWaalsContact OE1-NH2 3.1Å; Q13-R16 PolarHBondContact O-N 3.43Å; R16-P18 WeakPolarHBondContact O-CD 3.49Å; R16-P18 VanDerWaalsContact O-N 3.14Å |
| 17 | T | 72.8 | Confident | 72 | Confident | 93 Ų | 93 | 120.4 Ų | 120.4 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -71 | 108.6 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 107.1 | Q13 S19 | Q13-T17 WeakPolarHBondContact O-CB 3.41Å; Q13-T17 PolarHBondContact O-N 3.47Å; Q13-T17 PolarHBondContact O-OG1 3.47Å; T17-S19 PolarHBondContact O-N 3.46Å |
| 18 | P | 65.1 | Low | 70.4 | Confident | 95 Ų | 95 | 121.1 Ų | 121.1 | 62% | 0.617 | 64% | 0.636 | S | S | * | * | | | trans | -56.5 | 130.7 | 172.2 | 24.4 | -31 | 0 | 0 | 0 | 106.9 | R16 V20 | R16-P18 WeakPolarHBondContact O-CD 3.49Å; R16-P18 VanDerWaalsContact O-N 3.14Å; P18-V20 HydrophobicContact CB-CG2 4.11Å; P18-V20 HydrophobicContact CG-CG2 4.06Å; P18-V20 PolarHBondContact O-N 2.97Å |
| 19 | S | 66.1 | Low | 69.2 | Low | 126 Ų | 126 | 121.7 Ų | 121.7 | 88% | 0.881 | 64% | 0.636 | S | S | * | * | | | trans | -67.9 | 67.9 | 173.5 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | T17 R21 | T17-S19 PolarHBondContact O-N 3.46Å; S19-R21 PolarHBondContact O-N 2.7Å; S19-R21 VanDerWaalsContact O-N 3.09Å |
| 20 | V | 62.7 | Low | 67.9 | Low | 102 Ų | 102 | 120.6 Ų | 120.6 | 62% | 0.618 | 64% | 0.638 | S | S | * | * | | | trans | -71.9 | 103.9 | 170.5 | 177.6 | 0 | 0 | 0 | 0 | 104.2 | P18 P22 | P18-V20 HydrophobicContact CB-CG2 4.11Å; P18-V20 HydrophobicContact CG-CG2 4.06Å; P18-V20 PolarHBondContact O-N 2.97Å; V20-P22 WeakPolarHBondContact O-CD 3.2Å; V20-P22 VanDerWaalsContact O-N 3.08Å |
| 21 | R | 62.5 | Low | 66.7 | Low | 172 Ų | 172 | 122.8 Ų | 122.8 | 65% | 0.649 | 65% | 0.654 | S | S | * | * | | | trans | -51.4 | 117.5 | 174.4 | -138.9 | -83.1 | -154.9 | 176.1 | 4.2 | 107 | S19 G23 Q24 | S19-R21 PolarHBondContact O-N 2.7Å; S19-R21 VanDerWaalsContact O-N 3.09Å; R21-G23 PolarHBondContact O-N 3.44Å; R21-Q24 HydrophobicContact CB-CB 4.42Å; R21-Q24 PolarHBondContact O-N 2.99Å |
| 22 | P | 57.1 | Low | 65.3 | Low | 120 Ų | 120 | 117.5 Ų | 117.5 | 78% | 0.779 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 114.5 | 172.8 | -20.3 | 31.9 | 0 | 0 | 0 | 107 | V20 | V20-P22 WeakPolarHBondContact O-CD 3.2Å; V20-P22 VanDerWaalsContact O-N 3.08Å |
| 23 | G | 58.8 | Low | 64.2 | Low | 74 Ų | 74 | 117.1 Ų | 117.1 | 76% | 0.763 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.8 | 1.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R21 D25 | R21-G23 PolarHBondContact O-N 3.44Å; G23-D25 VanDerWaalsContact C-N 3.28Å; G23-D25 PolarHBondContact O-N 3.08Å |
| 24 | Q | 58.5 | Low | 63.2 | Low | 124 Ų | 124 | 120.2 Ų | 120.2 | 58% | 0.579 | 66% | 0.66 | S | S | * | * | | | trans | -95.2 | 37.5 | 173 | -124.8 | 130.5 | 20.3 | 0 | 0 | 113.3 | R21 V26 | R21-Q24 HydrophobicContact CB-CB 4.42Å; R21-Q24 PolarHBondContact O-N 2.99Å; Q24-V26 HydrophobicContact CB-CG2 4.33Å; Q24-V26 HydrophobicContact CG-CG2 3.56Å; Q24-V26 PolarHBondContact O-N 3.22Å |
| 25 | D | 52.1 | Low | 62.5 | Low | 107 Ų | 107 | 118.4 Ų | 118.4 | 57% | 0.572 | 65% | 0.654 | S | S | * | * | | | trans | -74.7 | 62.6 | 157.1 | -131 | -46.2 | 0 | 0 | 0 | 108.8 | G23 R27 L28 | G23-D25 VanDerWaalsContact C-N 3.28Å; G23-D25 PolarHBondContact O-N 3.08Å; D25-R27 PolarHBondContact O-N 3.03Å; D25-L28 PolarHBondContact O-N 3.01Å |
| 26 | V | 57 | Low | 62.3 | Low | 107 Ų | 107 | 115.6 Ų | 115.6 | 65% | 0.648 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -5.5 | 178.6 | 176.3 | 0 | 0 | 0 | 0 | 111 | Q24 | Q24-V26 HydrophobicContact CB-CG2 4.33Å; Q24-V26 HydrophobicContact CG-CG2 3.56Å; Q24-V26 PolarHBondContact O-N 3.22Å |
| 27 | R | 58.3 | Low | 62.5 | Low | 236 Ų | 236 | 112 Ų | 112 | 89% | 0.891 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -10.4 | 179.6 | -62 | -107.8 | -84.2 | -173.3 | -5.8 | 113.1 | D25 | D25-R27 PolarHBondContact O-N 3.03Š|
| 28 | L | 55.7 | Low | 62.9 | Low | 144 Ų | 144 | 112.8 Ų | 112.8 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -121.6 | 0.9 | -177.3 | -75.3 | 171.2 | 0 | 0 | 0 | 115.4 | D25 A30 | D25-L28 PolarHBondContact O-N 3.01Å; L28-A30 PolarHBondContact O-N 3.02Å |
| 29 | Q | 59.7 | Low | 63.6 | Low | 119 Ų | 119 | 115.4 Ų | 115.4 | 56% | 0.556 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -83.2 | 98.2 | 162.1 | -78.1 | -167.1 | -51.6 | 0 | 0 | 108.5 | P31 | Q29-P31 VanDerWaalsContact O-CD 3.27Å; Q29-P31 WeakPolarHBondContact O-CD 3.05Å; Q29-P31 VanDerWaalsContact O-N 3.08Å |
| 30 | A | 58.4 | Low | 64.3 | Low | 59 Ų | 59 | 114.4 Ų | 114.4 | 49% | 0.488 | 63% | 0.625 | S | S | . | * | | | trans | -45.5 | 119.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | L28 G32 T33 | L28-A30 PolarHBondContact O-N 3.02Å; A30-G32 PolarHBondContact O-N 3.06Å; A30-T33 HydrophobicContact CB-CG2 4.38Å; A30-T33 PolarHBondContact O-N 3.26Å; A30-T33 PolarHBondContact O-OG1 3.01Å |
| 31 | P | 57.7 | Low | 65.1 | Low | 128 Ų | 128 | 114.7 Ų | 114.7 | 83% | 0.831 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -1.6 | -174.3 | -30.7 | 36.2 | 0 | 0 | 0 | 116.7 | Q29 | Q29-P31 VanDerWaalsContact O-CD 3.27Å; Q29-P31 WeakPolarHBondContact O-CD 3.05Å; Q29-P31 VanDerWaalsContact O-N 3.08Å |
| 32 | G | 57.9 | Low | 65.6 | Low | 51 Ų | 51 | 109 Ų | 109 | 53% | 0.526 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.2 | -17.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | A30 G36 | A30-G32 PolarHBondContact O-N 3.06Å; G32-G36 PolarHBondContact O-N 3.17Å |
| 33 | T | 61.8 | Low | 66.3 | Low | 78 Ų | 78 | 106.5 Ų | 106.5 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -76.1 | -38.8 | -172.8 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | A30 G36 L37 | A30-T33 HydrophobicContact CB-CG2 4.38Å; A30-T33 PolarHBondContact O-N 3.26Å; A30-T33 PolarHBondContact O-OG1 3.01Å; T33-G36 PolarHBondContact O-N 3.05Å; T33-L37 WeakPolarHBondContact O-CG 3.22Å; T33-L37 PolarHBondContact O-N 2.88Å; T33-L37 VanDerWaalsContact O-N 3.08Å |
| 34 | R | 63.1 | Low | 66.9 | Low | 173 Ų | 173 | 106.6 Ų | 106.6 | 65% | 0.653 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.1 | -39.9 | 177.3 | -163.1 | 177.8 | -178 | -175.3 | -1.1 | 111.9 | L38 | R34-L38 WeakPolarHBondContact O-CG 3.22Å; R34-L38 PolarHBondContact O-N 3.02Å |
| 35 | T | 68.9 | Low | 67.1 | Low | 95 Ų | 95 | 104.4 Ų | 104.4 | 58% | 0.583 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.9 | -39.3 | 175.8 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | K39 | T35-K39 WeakPolarHBondContact O-CB 3.2Å; T35-K39 PolarHBondContact O-N 3.22Å; T35-K39 VanDerWaalsContact O-N 3.1Å |
| 36 | G | 74.4 | Confident | 67.5 | Low | 41 Ų | 41 | 105.7 Ų | 105.7 | 42% | 0.423 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.2 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G32 T33 K39 L40 | G32-G36 PolarHBondContact O-N 3.17Å; T33-G36 PolarHBondContact O-N 3.05Å; G36-K39 PolarHBondContact O-N 3.09Å; G36-L40 PolarHBondContact O-N 3.25Å |
| 37 | L | 83.4 | Confident | 67.6 | Low | 108 Ų | 108 | 106 Ų | 106 | 57% | 0.565 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.6 | -43.4 | 177.4 | -74.2 | 172.6 | 0 | 0 | 0 | 112.7 | T33 K39 L40 L41 | T33-L37 WeakPolarHBondContact O-CG 3.22Å; T33-L37 PolarHBondContact O-N 2.88Å; T33-L37 VanDerWaalsContact O-N 3.08Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 2.96Å; L37-L40 PolarHBondContact O-N 3.18Å; L37-L41 WeakPolarHBondContact O-CG 3.37Å; L37-L41 PolarHBondContact O-N 2.96Å |
| 38 | L | 81.3 | Confident | 67.7 | Low | 110 Ų | 110 | 103 Ų | 103 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63 | -36.7 | 176.7 | -68.5 | 171.5 | 0 | 0 | 0 | 111.7 | R34 L41 S42 | R34-L38 WeakPolarHBondContact O-CG 3.22Å; R34-L38 PolarHBondContact O-N 3.02Å; L38-L41 PolarHBondContact O-N 2.88Å; L38-S42 WeakPolarHBondContact O-CB 3.34Å; L38-S42 PolarHBondContact O-N 3.44Å |
| 39 | K | 79.4 | Confident | 67.5 | Low | 150 Ų | 150 | 103.5 Ų | 103.5 | 65% | 0.652 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.7 | -43.3 | 175.3 | -164.5 | 170.9 | -177.6 | 176.1 | 0 | 111.8 | T35 G36 L37 L41 S42 T43 | T35-K39 WeakPolarHBondContact O-CB 3.2Å; T35-K39 PolarHBondContact O-N 3.22Å; T35-K39 VanDerWaalsContact O-N 3.1Å; G36-K39 PolarHBondContact O-N 3.09Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 2.96Å; K39-L41 PolarHBondContact O-N 3.05Å; K39-S42 WeakPolarHBondContact CA-OG 3.35Å; K39-S42 PolarHBondContact O-N 2.98Å; K39-S42 PolarHBondContact O-OG 2.91Å; K39-T43 WeakPolarHBondContact O-CG2 3.48Å; K39-T43 PolarHBondContact O-N 3.45Å; K39-T43 PolarHBondContact O-OG1 3.4Å |
| 40 | L | 80.8 | Confident | 67.3 | Low | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.6 | -43.2 | 176.1 | -174 | 68.1 | 0 | 0 | 0 | 112.1 | G36 L37 S42 T43 V44 | G36-L40 PolarHBondContact O-N 3.25Å; L37-L40 PolarHBondContact O-N 3.18Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 2.61Å; L40-T43 WeakPolarHBondContact CA-OG1 3.37Å; L40-T43 PolarHBondContact O-N 2.95Å; L40-T43 PolarHBondContact O-OG1 3.2Å; L40-V44 WeakPolarHBondContact O-CB 3.36Å; L40-V44 WeakPolarHBondContact O-CG2 3.28Å; L40-V44 PolarHBondContact O-N 2.67Å |
| 41 | L | 81.1 | Confident | 67.1 | Low | 109 Ų | 109 | 108.6 Ų | 108.6 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.6 | -34.7 | 177 | -65.9 | 174.1 | 0 | 0 | 0 | 112.2 | L37 L38 K39 V44 S45 | L37-L41 WeakPolarHBondContact O-CG 3.37Å; L37-L41 PolarHBondContact O-N 2.96Å; L38-L41 PolarHBondContact O-N 2.88Å; K39-L41 PolarHBondContact O-N 3.05Å; L41-V44 PolarHBondContact O-N 2.93Å; L41-S45 PolarHBondContact O-N 2.9Å; L41-S45 VanDerWaalsContact O-N 3.15Å; L41-S45 PolarHBondContact O-OG 3.34Å |
| 42 | S | 72.5 | Confident | 66.7 | Low | 52 Ų | 52 | 107.2 Ų | 107.2 | 36% | 0.364 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.5 | -37.1 | 174.8 | 73.5 | 0 | 0 | 0 | 0 | 112.5 | L38 K39 L40 S45 Q46 | L38-S42 WeakPolarHBondContact O-CB 3.34Å; L38-S42 PolarHBondContact O-N 3.44Å; K39-S42 WeakPolarHBondContact CA-OG 3.35Å; K39-S42 PolarHBondContact O-N 2.98Å; K39-S42 PolarHBondContact O-OG 2.91Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 2.61Å; S42-S45 PolarHBondContact O-N 3.43Å; S42-Q46 WeakPolarHBondContact O-CG 3.23Å; S42-Q46 PolarHBondContact O-N 3.47Å |
| 43 | T | 70.9 | Confident | 66.4 | Low | 68 Ų | 68 | 109.7 Ų | 109.7 | 42% | 0.417 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.8 | -35.9 | 176.2 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | K39 L40 S45 Q46 D47 | K39-T43 WeakPolarHBondContact O-CG2 3.48Å; K39-T43 PolarHBondContact O-N 3.45Å; K39-T43 PolarHBondContact O-OG1 3.4Å; L40-T43 WeakPolarHBondContact CA-OG1 3.37Å; L40-T43 PolarHBondContact O-N 2.95Å; L40-T43 PolarHBondContact O-OG1 3.2Å; T43-S45 VanDerWaalsContact C-N 3.25Å; T43-S45 PolarHBondContact O-N 3.29Å; T43-Q46 PolarHBondContact O-N 2.94Å; T43-D47 PolarHBondContact O-N 3.39Å |
| 44 | V | 72.4 | Confident | 65.7 | Low | 75 Ų | 75 | 109 Ų | 109 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.2 | -15.7 | 177.5 | 174.9 | 0 | 0 | 0 | 0 | 112.9 | L40 L41 D47 | L40-V44 WeakPolarHBondContact O-CB 3.36Å; L40-V44 WeakPolarHBondContact O-CG2 3.28Å; L40-V44 PolarHBondContact O-N 2.67Å; L41-V44 PolarHBondContact O-N 2.93Å; V44-D47 WeakPolarHBondContact CA-OD1 3.35Å |
| 45 | S | 62.9 | Low | 65 | Low | 79 Ų | 79 | 109.8 Ų | 109.8 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -91.4 | -22.1 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | L41 S42 T43 | L41-S45 PolarHBondContact O-N 2.9Å; L41-S45 VanDerWaalsContact O-N 3.15Å; L41-S45 PolarHBondContact O-OG 3.34Å; S42-S45 PolarHBondContact O-N 3.43Å; T43-S45 VanDerWaalsContact C-N 3.25Å; T43-S45 PolarHBondContact O-N 3.29Å |
| 46 | Q | 60.4 | Low | 63.5 | Low | 134 Ų | 134 | 109.1 Ų | 109.1 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -87.5 | -29.3 | -177.4 | -73.4 | 176.6 | 5.8 | 0 | 0 | 113 | S42 T43 K48 Q49 | S42-Q46 WeakPolarHBondContact O-CG 3.23Å; S42-Q46 PolarHBondContact O-N 3.47Å; T43-Q46 PolarHBondContact O-N 2.94Å; Q46-K48 PolarHBondContact O-N 2.92Å; Q46-Q49 PolarHBondContact O-N 2.94Å |
| 47 | D | 58.1 | Low | 62.4 | Low | 114 Ų | 114 | 112.3 Ų | 112.3 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -10.1 | 176 | 62.7 | -68.8 | 0 | 0 | 0 | 113.5 | T43 V44 | T43-D47 PolarHBondContact O-N 3.39Å; V44-D47 WeakPolarHBondContact CA-OD1 3.35Å |
| 48 | K | 60 | Low | 60.8 | Low | 171 Ų | 171 | 112.1 Ų | 112.1 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 1.4 | 174.8 | -72.7 | 177.2 | 174.8 | -91.8 | 0 | 114 | Q46 | Q46-K48 PolarHBondContact O-N 2.92Š|
| 49 | Q | 53.2 | Low | 59.3 | Low | 155 Ų | 155 | 111.9 Ų | 111.9 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | | | trans | -100.3 | 91 | -177.5 | -126.6 | 168.2 | 20.4 | 0 | 0 | 110.8 | Q46 | Q46-Q49 PolarHBondContact O-N 2.94Š|
| 50 | E | 55.5 | Low | 58 | Low | 165 Ų | 165 | 109.8 Ų | 109.8 | 77% | 0.771 | 71% | 0.706 | S | S | * | * | | | trans | -52.9 | 141.7 | 158.5 | -69.3 | -69.3 | 131.6 | 0 | 0 | 109.5 | A52 | E50-A52 PolarHBondContact O-N 3.1Š|
| 51 | P | 52.2 | Low | 56.2 | Low | 120 Ų | 120 | 108.7 Ų | 108.7 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | trans | -67.3 | 98.1 | -176.5 | 27.5 | -32.6 | 0 | 0 | 0 | 110 | A53 | P51-A53 PolarHBondContact O-N 2.97Š|
| 52 | A | 50.3 | Low | 54.5 | Low | 100 Ų | 100 | 107.4 Ų | 107.4 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | | | trans | -69 | 101 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | E50 G54 | E50-A52 PolarHBondContact O-N 3.1Å; A52-G54 PolarHBondContact O-N 3.27Å |
| 53 | A | 51.8 | Low | 53.6 | Low | 102 Ų | 102 | 109.8 Ų | 109.8 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | -55.6 | 120.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P51 | P51-A53 PolarHBondContact O-N 2.97Š|
| 54 | G | 47.8 | Very low | 52.5 | Low | 65 Ų | 65 | 111.3 Ų | 111.3 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | | | trans | 83.7 | 109.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | A52 | A52-G54 PolarHBondContact O-N 3.27Š|
| 55 | L | 47.8 | Very low | 51.1 | Low | 189 Ų | 189 | 112.8 Ų | 112.8 | 99% | 0.99 | 80% | 0.795 | S | S | * | * | | | | 175.9 | 118.4 | 120.1 | -92.7 | 151.9 | 0 | 0 | 0 | 110.1 | | |
| 56 | G | 38 | Very low | 50.1 | Low | 81 Ų | 81 | 112.5 Ų | 112.5 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | 110 | 82.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 57 | A | 50.7 | Low | 49.7 | Very low | 107 Ų | 107 | 118 Ų | 118 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | | | trans | -70.7 | 130.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 58 | A | 49.2 | Very low | 49 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | | | trans | -134.2 | 96.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 59 | A | 50.3 | Low | 48.2 | Very low | 106 Ų | 106 | 114.3 Ų | 114.3 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | | | trans | -71.7 | 123.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 60 | A | 52.7 | Low | 47.7 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 88% | 0.876 | 84% | 0.843 | S | S | * | * | | | trans | -111.9 | 106 | 153.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 61 | G | 42.8 | Very low | 46.8 | Very low | 81 Ų | 81 | 107.5 Ų | 107.5 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | | | trans | -72 | 160 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 62 | G | 44.4 | Very low | 46.9 | Very low | 82 Ų | 82 | 107.3 Ų | 107.3 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | | | trans | 176.6 | 71.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 63 | A | 53.3 | Low | 46.8 | Very low | 101 Ų | 101 | 109.6 Ų | 109.6 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | | | trans | -79.6 | 131.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 64 | A | 48.8 | Very low | 46.5 | Very low | 101 Ų | 101 | 111.7 Ų | 111.7 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | | | trans | 56.6 | 122.9 | 131.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 65 | A | 42.7 | Very low | 46.5 | Very low | 106 Ų | 106 | 112.5 Ų | 112.5 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | | | trans | -138.9 | 97 | 130.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 66 | G | 41.3 | Very low | 46.1 | Very low | 72 Ų | 72 | 109.6 Ų | 109.6 | 74% | 0.742 | 84% | 0.836 | S | S | * | * | | | trans | -69.2 | 142.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 67 | R | 53.3 | Low | 46.7 | Very low | 250 Ų | 250 | 112.1 Ų | 112.1 | 94% | 0.943 | 84% | 0.835 | S | S | * | * | | | trans | -143.2 | 98.9 | 148.1 | -109.4 | 173.3 | 179.6 | -132.8 | -1.1 | 108.5 | | |
| 68 | A | 43.8 | Very low | 46.2 | Very low | 103 Ų | 103 | 111.9 Ų | 111.9 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | | | trans | -69.2 | 131.1 | 153 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 69 | A | 43.2 | Very low | 46 | Very low | 104 Ų | 104 | 111.5 Ų | 111.5 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | trans | -123.9 | 112.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 70 | A | 42.3 | Very low | 45.6 | Very low | 105 Ų | 105 | 110 Ų | 110 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | | | trans | -99.4 | 117.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 71 | G | 36.3 | Very low | 45 | Very low | 73 Ų | 73 | 108.5 Ų | 108.5 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | | | trans | 86.3 | 160.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 72 | P | 54.9 | Low | 45.5 | Very low | 116 Ų | 116 | 110.9 Ų | 110.9 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | | | cis | -131.3 | 160 | 3 | 35.1 | -15 | 0 | 0 | 0 | 116.7 | | |
| 73 | D | 46.8 | Very low | 45.6 | Very low | 148 Ų | 148 | 114.8 Ų | 114.8 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | | | trans | 44.8 | 103.3 | 147.3 | -52.3 | -38.8 | 0 | 0 | 0 | 121.4 | | |
| 74 | T | 45.7 | Very low | 45.4 | Very low | 146 Ų | 146 | 115.9 Ų | 115.9 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | | | | -140.5 | 105.1 | 125.6 | -61.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 75 | A | 48.2 | Very low | 45 | Very low | 82 Ų | 82 | 114.5 Ų | 114.5 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | | | trans | -67 | 137.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 76 | C | 40.2 | Very low | 45.2 | Very low | 127 Ų | 127 | 115 Ų | 115 | 86% | 0.858 | 81% | 0.812 | S | S | * | * | | | | 177.3 | 112.9 | 114.1 | -89.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 77 | T | 50.3 | Low | 45.4 | Very low | 134 Ų | 134 | 120 Ų | 120 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | | | trans | -35 | 137.6 | 165.6 | -62.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 78 | A | 40.5 | Very low | 45.3 | Very low | 103 Ų | 103 | 119.6 Ų | 119.6 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | -136.7 | 107.9 | 139.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 79 | A | 44 | Very low | 45.4 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | | | trans | -61.4 | 145.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 80 | G | 42.9 | Very low | 45.4 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | | | trans | 160.2 | 48.2 | 168 | 0 | 0 | 0 | 0 | 0 | 115.1 | P82 | G80-P82 WeakPolarHBondContact O-CD 3.39Š|
| 81 | G | 40.4 | Very low | 45.5 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | -74 | 127.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | L83 | G81-L83 PolarHBondContact O-N 3.49Š|
| 82 | P | 53.3 | Low | 45.8 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | | | trans | -85.7 | 109.5 | 165.6 | 27.3 | -20.5 | 0 | 0 | 0 | 109 | G80 | G80-P82 WeakPolarHBondContact O-CD 3.39Š|
| 83 | L | 45.3 | Very low | 45.5 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | -85.6 | 159.8 | 161.2 | -85.3 | -179.7 | 0 | 0 | 0 | 110.5 | G81 | G81-L83 PolarHBondContact O-N 3.49Š|
| 84 | P | 49.6 | Very low | 45.6 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | | | trans | -86.1 | 137 | -150.8 | 34.8 | -33.2 | 0 | 0 | 0 | 111.7 | | |
| 85 | G | 40.6 | Very low | 46 | Very low | 71 Ų | 71 | 130.1 Ų | 130.1 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | | | trans | 170.4 | 96.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 86 | S | 46.2 | Very low | 46.4 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -175.4 | 113.3 | 134.7 | -82.4 | 0 | 0 | 0 | 0 | 108.6 | R88 | S86-R88 PolarHBondContact O-N 3.48Š|
| 87 | L | 45.2 | Very low | 46.5 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | | | trans | -40.2 | 106.9 | 163.3 | -69.8 | 135.1 | 0 | 0 | 0 | 108.9 | T89 | L87-T89 PolarHBondContact O-N 3.22Š|
| 88 | R | 52.5 | Low | 46.1 | Very low | 242 Ų | 242 | 132.9 Ų | 132.9 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | -64.5 | 99.1 | 160.7 | -74.2 | -171.4 | 178.5 | 176.8 | 0.2 | 105.3 | S86 Q90 | S86-R88 PolarHBondContact O-N 3.48Å; R88-Q90 PolarHBondContact O-N 3.27Å |
| 89 | T | 45.2 | Very low | 46.6 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | | | trans | -55.2 | 115 | 169.4 | -148.1 | 0 | 0 | 0 | 0 | 106.1 | L87 R91 | L87-T89 PolarHBondContact O-N 3.22Å; T89-R91 PolarHBondContact O-N 2.97Å |
| 90 | Q | 43.9 | Very low | 47 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | | | trans | -61.2 | 108.9 | 168.8 | -71.6 | -114.8 | 58.6 | 0 | 0 | 106.2 | R88 | R88-Q90 PolarHBondContact O-N 3.27Š|
| 91 | R | 44.1 | Very low | 47.3 | Very low | 229 Ų | 229 | 140 Ų | 140 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | | | trans | -106.4 | 99.3 | 164 | -158.8 | 176.5 | -166.3 | -163.1 | 2.6 | 106.2 | T89 | T89-R91 PolarHBondContact O-N 2.97Š|
| 92 | E | 41.9 | Very low | 47.8 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | -50.3 | 130.2 | 168.3 | -85.2 | -167.5 | 89.5 | 0 | 0 | 109.8 | G94 | E92-G94 PolarHBondContact O-N 3.45Š|
| 93 | P | 48.5 | Very low | 47.2 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | | | trans | -77.4 | 113.3 | 164.7 | 27 | -25.1 | 0 | 0 | 0 | 109.2 | | |
| 94 | G | 48.1 | Very low | 47 | Very low | 58 Ų | 58 | 134.8 Ų | 134.8 | 60% | 0.598 | 82% | 0.822 | S | S | * | * | | | trans | -63.4 | 160.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E92 W96 | E92-G94 PolarHBondContact O-N 3.45Å; G94-W96 VanDerWaalsContact C-N 3.31Å; G94-W96 PolarHBondContact O-N 3Å |
| 95 | P | 55.7 | Low | 46.7 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -79.2 | 7.9 | -154.4 | 27.5 | -32.6 | 0 | 0 | 0 | 117.1 | | |
| 96 | W | 55 | Low | 46.9 | Very low | 245 Ų | 245 | 139.7 Ų | 139.7 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | | | trans | -148.8 | 113.7 | 178.8 | -64.3 | 87.6 | 0 | 0 | 0 | 111.4 | G94 | G94-W96 VanDerWaalsContact C-N 3.31Å; G94-W96 PolarHBondContact O-N 3Å |
| 97 | G | 44.2 | Very low | 46.8 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | | | trans | 174 | 102.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 98 | G | 41 | Very low | 47 | Very low | 73 Ų | 73 | 136.1 Ų | 136.1 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | | | trans | -70.4 | -158.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 99 | P | 51.1 | Low | 46.6 | Very low | 134 Ų | 134 | 128 Ų | 128 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | | | trans | -87.9 | 165.6 | -135.7 | 34.8 | -37.3 | 0 | 0 | 0 | 116.4 | | |
| 100 | A | 52.7 | Low | 46.8 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | | | trans | -42.5 | 138.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 101 | Q | 48.2 | Very low | 47.1 | Very low | 190 Ų | 190 | 124.3 Ų | 124.3 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | | | trans | -120.3 | 115.2 | 150.6 | -98 | -149.3 | 79.9 | 0 | 0 | 109.6 | G103 | Q101-G103 PolarHBondContact O-N 3.05Š|
| 102 | A | 51.7 | Low | 47.3 | Very low | 104 Ų | 104 | 117.9 Ų | 117.9 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -75.2 | 110 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 103 | G | 40.1 | Very low | 47.4 | Very low | 72 Ų | 72 | 117.3 Ų | 117.3 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | | | trans | -117 | 111 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q101 | Q101-G103 PolarHBondContact O-N 3.05Š|
| 104 | G | 41.7 | Very low | 47.4 | Very low | 83 Ų | 83 | 121 Ų | 121 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | | | trans | -74.8 | 159 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 105 | A | 43.3 | Very low | 47.4 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 84% | 0.843 | 85% | 0.854 | S | S | * | * | | | trans | -153.3 | 99.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 106 | E | 44.1 | Very low | 46.9 | Very low | 197 Ų | 197 | 124.2 Ų | 124.2 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | | | trans | -57.6 | 125.3 | 163.9 | -172.3 | 177.5 | 107.5 | 0 | 0 | 108.8 | | |
| 107 | A | 45.1 | Very low | 46.5 | Very low | 94 Ų | 94 | 117.5 Ų | 117.5 | 78% | 0.777 | 85% | 0.853 | S | S | * | * | | | trans | -112.4 | 121 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 108 | P | 49.3 | Very low | 46.6 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 81% | 0.805 | 85% | 0.853 | S | S | * | * | | | trans | -87.2 | 151.6 | -179.5 | 33.7 | -32.8 | 0 | 0 | 0 | 112.2 | | |
| 109 | G | 43.2 | Very low | 47 | Very low | 71 Ų | 71 | 122.5 Ų | 122.5 | 73% | 0.732 | 86% | 0.86 | S | S | * | * | | | trans | 91.8 | 76 | 153 | 0 | 0 | 0 | 0 | 0 | 116.4 | T111 | G109-T111 PolarHBondContact O-N 3.4Š|
| 110 | A | 49.2 | Very low | 46.7 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 88% | 0.884 | 86% | 0.859 | S | S | * | * | | | trans | -78.1 | 96.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A112 | A110-A112 PolarHBondContact O-N 3.2Š|
| 111 | T | 51.4 | Low | 46.3 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 76% | 0.761 | 86% | 0.861 | S | S | * | * | | | trans | -76 | 103.1 | 165.2 | -49.1 | 0 | 0 | 0 | 0 | 107.7 | G109 L113 | G109-T111 PolarHBondContact O-N 3.4Å; T111-L113 PolarHBondContact O-N 3.38Å |
| 112 | A | 48.4 | Very low | 46.1 | Very low | 94 Ų | 94 | 118.2 Ų | 118.2 | 78% | 0.777 | 86% | 0.859 | S | S | * | * | | | trans | -70.8 | 118.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | A110 | A110-A112 PolarHBondContact O-N 3.2Š|
| 113 | L | 43.7 | Very low | 45.7 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 85% | 0.848 | 86% | 0.859 | S | S | * | * | | | trans | -100.7 | 120.5 | 161.3 | -72.5 | 166.2 | 0 | 0 | 0 | 106.6 | T111 | T111-L113 PolarHBondContact O-N 3.38Š|
| 114 | C | 48.4 | Very low | 46.2 | Very low | 202 Ų | 202 | 123.6 Ų | 123.6 | 100% | 1.365 | 87% | 0.87 | S | S | * | * | | | trans | -76.9 | 0 | 157.9 | -69 | 0 | 0 | 0 | 0 | 109.5 | | |