| 1 | M | 39.2 | Very low | 67.1 | Low | 206 Ų | 206 | 130 Ų | 130 | 100% | 1.015 | 71% | 0.711 | S | S | * | * | | | | 0 | 104.6 | 0 | -58 | -177.3 | 84.9 | 0 | 0 | 106.9 | Q3 | M1-Q3 VanDerWaalsContact C-N 3.28Å; M1-Q3 PolarHBondContact O-N 3.05Å; M1-Q3 VanDerWaalsContact O-N 3.11Å |
| 2 | S | 58.5 | Low | 68.8 | Low | 130 Ų | 130 | 125 Ų | 125 | 91% | 0.909 | 69% | 0.687 | S | S | * | * | | | trans | -84.7 | 82.1 | 176.7 | -54.5 | 0 | 0 | 0 | 0 | 107.4 | G4 | S2-G4 PolarHBondContact O-N 3.08Š|
| 3 | Q | 60.9 | Low | 70.2 | Confident | 155 Ų | 155 | 120.5 Ų | 120.5 | 72% | 0.724 | 66% | 0.658 | S | S | * | * | | | trans | -57.1 | 108.1 | 169.6 | -25.1 | -85.7 | -2.3 | 0 | 0 | 105 | M1 L5 | M1-Q3 VanDerWaalsContact C-N 3.28Å; M1-Q3 PolarHBondContact O-N 3.05Å; M1-Q3 VanDerWaalsContact O-N 3.11Å; Q3-L5 PolarHBondContact O-N 3.07Å |
| 4 | G | 61.3 | Low | 71.7 | Confident | 67 Ų | 67 | 119.4 Ų | 119.4 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | | | trans | -54.6 | 132.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S2 S6 | S2-G4 PolarHBondContact O-N 3.08Å; G4-S6 PolarHBondContact O-N 2.64Å |
| 5 | L | 60.7 | Low | 73 | Confident | 160 Ų | 160 | 116.9 Ų | 116.9 | 84% | 0.838 | 64% | 0.636 | S | S | * | * | | | trans | -46.5 | 112.8 | 171.7 | -60.9 | 167.9 | 0 | 0 | 0 | 107.5 | Q3 W7 | Q3-L5 PolarHBondContact O-N 3.07Å; L5-W7 PolarHBondContact O-N 2.94Å |
| 6 | S | 65.8 | Low | 74.1 | Confident | 116 Ų | 116 | 114.8 Ų | 114.8 | 81% | 0.811 | 62% | 0.623 | S | S | * | * | | | trans | -67.8 | 78.4 | 170.5 | 53.2 | 0 | 0 | 0 | 0 | 107.4 | G4 H8 | G4-S6 PolarHBondContact O-N 2.64Å; S6-H8 PolarHBondContact O-N 2.7Å; S6-H8 VanDerWaalsContact O-N 3.15Å |
| 7 | W | 63.1 | Low | 75.1 | Confident | 167 Ų | 167 | 111.8 Ų | 111.8 | 63% | 0.633 | 61% | 0.613 | S | S | * | * | | | trans | -71 | -1.8 | -179.3 | 65.6 | -90.9 | 0 | 0 | 0 | 112.6 | L5 D9 Q13 | L5-W7 PolarHBondContact O-N 2.94Å; W7-D9 VanDerWaalsContact C-N 3.27Å; W7-D9 PolarHBondContact O-N 2.91Å; W7-D9 VanDerWaalsContact O-N 3.12Å; W7-Q13 HydrophobicContact CE3-CG 4.41Å; W7-Q13 HydrophobicContact CZ3-CG 4.38Å; W7-Q13 VanDerWaalsContact CZ3-NE2 3.29Å |
| 8 | H | 69.8 | Low | 76.1 | Confident | 119 Ų | 119 | 111.3 Ų | 111.3 | 55% | 0.551 | 61% | 0.605 | S | S | * | * | | | trans | -91.4 | 54.6 | -171.7 | -146.6 | -66.6 | 0 | 0 | 0 | 111.8 | S6 D10 | S6-H8 PolarHBondContact O-N 2.7Å; S6-H8 VanDerWaalsContact O-N 3.15Å; H8-D10 IonicContact CE1-OD1 3.11Å; H8-D10 PolarHBondContact CE1-OD1 3.42Å; H8-D10 IonicContact ND1-OD1 3.27Å; H8-D10 PolarHBondContact ND1-OD1 3.35Å |
| 9 | D | 86.1 | Confident | 77 | Confident | 79 Ų | 79 | 111.3 Ų | 111.3 | 42% | 0.422 | 60% | 0.601 | S | S | . | * | | | trans | -89 | 105.9 | 162.2 | -179.6 | 69.5 | 0 | 0 | 0 | 107.9 | W7 L11 T12 Q13 | W7-D9 VanDerWaalsContact C-N 3.27Å; W7-D9 PolarHBondContact O-N 2.91Å; W7-D9 VanDerWaalsContact O-N 3.12Å; D9-L11 PolarHBondContact O-N 3.41Å; D9-T12 PolarHBondContact O-N 2.76Å; D9-T12 VanDerWaalsContact O-N 3.15Å; D9-T12 WeakPolarHBondContact OD2-CB 3.24Å; D9-T12 PolarHBondContact OD2-N 2.79Å; D9-T12 PolarHBondContact OD2-OG1 3.24Å; D9-Q13 WeakPolarHBondContact O-CG 3.45Å; D9-Q13 PolarHBondContact O-N 3.5Å |
| 10 | D | 85.2 | Confident | 77.7 | Confident | 112 Ų | 112 | 111.7 Ų | 111.7 | 60% | 0.599 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.1 | -30.6 | -174 | -65.5 | -54.5 | 0 | 0 | 0 | 112.2 | H8 H14 | H8-D10 IonicContact CE1-OD1 3.11Å; H8-D10 PolarHBondContact CE1-OD1 3.42Å; H8-D10 IonicContact ND1-OD1 3.27Å; H8-D10 PolarHBondContact ND1-OD1 3.35Å; D10-H14 VanDerWaalsContact O-CB 3.28Å; D10-H14 WeakPolarHBondContact O-CB 3.44Å; D10-H14 PolarHBondContact O-N 2.94Å |
| 11 | L | 87.6 | Confident | 78.2 | Confident | 119 Ų | 119 | 114 Ų | 114 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.1 | -48.8 | 176.5 | 178.9 | 61.3 | 0 | 0 | 0 | 111.3 | D9 Q13 H14 V15 | D9-L11 PolarHBondContact O-N 3.41Å; L11-Q13 VanDerWaalsContact C-N 3.32Å; L11-Q13 PolarHBondContact O-N 3.13Å; L11-H14 WeakPolarHBondContact O-CB 3.19Å; L11-H14 PolarHBondContact O-N 3.34Å; L11-V15 HydrophobicContact CD1-CG2 4.41Å; L11-V15 WeakPolarHBondContact O-CG2 3.22Å; L11-V15 PolarHBondContact O-N 3.22Å |
| 12 | T | 87.1 | Confident | 80.5 | Confident | 70 Ų | 70 | 113.6 Ų | 113.6 | 43% | 0.429 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.6 | -43.5 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | D9 H14 V15 I16 | D9-T12 PolarHBondContact O-N 2.76Å; D9-T12 VanDerWaalsContact O-N 3.15Å; D9-T12 WeakPolarHBondContact OD2-CB 3.24Å; D9-T12 PolarHBondContact OD2-N 2.79Å; D9-T12 PolarHBondContact OD2-OG1 3.24Å; T12-H14 VanDerWaalsContact C-N 3.31Å; T12-H14 PolarHBondContact O-N 2.98Å; T12-V15 PolarHBondContact O-N 3.41Å; T12-I16 HydrophobicContact CG2-CD1 3.61Å; T12-I16 HydrophobicContact CG2-CG1 4.32Å; T12-I16 WeakPolarHBondContact O-CB 3.36Å; T12-I16 VanDerWaalsContact O-CG1 3.22Å; T12-I16 WeakPolarHBondContact O-CG1 3.22Å; T12-I16 PolarHBondContact O-N 2.86Å |
| 13 | Q | 87.6 | Confident | 81.9 | Confident | 66 Ų | 66 | 111.7 Ų | 111.7 | 31% | 0.308 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.9 | -38.4 | 176.6 | -68.8 | -63.9 | 90.5 | 0 | 0 | 112.2 | W7 D9 L11 S17 | W7-Q13 HydrophobicContact CE3-CG 4.41Å; W7-Q13 HydrophobicContact CZ3-CG 4.38Å; W7-Q13 VanDerWaalsContact CZ3-NE2 3.29Å; D9-Q13 WeakPolarHBondContact O-CG 3.45Å; D9-Q13 PolarHBondContact O-N 3.5Å; L11-Q13 VanDerWaalsContact C-N 3.32Å; L11-Q13 PolarHBondContact O-N 3.13Å; Q13-S17 VanDerWaalsContact O-CB 3.29Å; Q13-S17 WeakPolarHBondContact O-CB 3.31Å; Q13-S17 PolarHBondContact O-N 3.31Å; Q13-S17 PolarHBondContact O-OG 3.43Å |
| 14 | H | 90.7 | Very high | 83 | Confident | 105 Ų | 105 | 109.6 Ų | 109.6 | 49% | 0.486 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.4 | -45 | 176 | 179.8 | 70.5 | 0 | 0 | 0 | 112.2 | D10 L11 T12 S17 Q18 | D10-H14 VanDerWaalsContact O-CB 3.28Å; D10-H14 WeakPolarHBondContact O-CB 3.44Å; D10-H14 PolarHBondContact O-N 2.94Å; L11-H14 WeakPolarHBondContact O-CB 3.19Å; L11-H14 PolarHBondContact O-N 3.34Å; T12-H14 VanDerWaalsContact C-N 3.31Å; T12-H14 PolarHBondContact O-N 2.98Å; H14-S17 PolarHBondContact O-N 2.89Å; H14-Q18 PolarHBondContact NE2-NE2 3.41Å; H14-Q18 PolarHBondContact O-N 2.88Å |
| 15 | V | 92.3 | Very high | 84 | Confident | 83 Ų | 83 | 117.7 Ų | 117.7 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.2 | -44.6 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111 | L11 T12 S17 Q18 E19 | L11-V15 HydrophobicContact CD1-CG2 4.41Å; L11-V15 WeakPolarHBondContact O-CG2 3.22Å; L11-V15 PolarHBondContact O-N 3.22Å; T12-V15 PolarHBondContact O-N 3.41Å; V15-S17 VanDerWaalsContact C-N 3.35Å; V15-S17 PolarHBondContact O-N 3.28Å; V15-Q18 PolarHBondContact O-N 3.48Å; V15-E19 WeakPolarHBondContact O-CB 3.41Å; V15-E19 PolarHBondContact O-N 3.46Å |
| 16 | I | 90.4 | Very high | 84.8 | Confident | 83 Ų | 83 | 117.8 Ų | 117.8 | 43% | 0.426 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.6 | -44 | 176.3 | -68.5 | 167.8 | 0 | 0 | 0 | 110.2 | T12 Q18 E19 M20 | T12-I16 HydrophobicContact CG2-CD1 3.61Å; T12-I16 HydrophobicContact CG2-CG1 4.32Å; T12-I16 WeakPolarHBondContact O-CB 3.36Å; T12-I16 VanDerWaalsContact O-CG1 3.22Å; T12-I16 WeakPolarHBondContact O-CG1 3.22Å; T12-I16 PolarHBondContact O-N 2.86Å; I16-Q18 PolarHBondContact O-N 2.97Å; I16-E19 PolarHBondContact O-N 2.93Å; I16-M20 HydrophobicContact CG2-CG 4.23Å; I16-M20 WeakPolarHBondContact O-CG 3.48Å; I16-M20 PolarHBondContact O-N 2.95Å |
| 17 | S | 89.8 | Confident | 85.3 | Confident | 64 Ų | 64 | 123.3 Ų | 123.3 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.4 | -48.4 | 178.6 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | Q13 H14 V15 E19 M20 E21 | Q13-S17 VanDerWaalsContact O-CB 3.29Å; Q13-S17 WeakPolarHBondContact O-CB 3.31Å; Q13-S17 PolarHBondContact O-N 3.31Å; Q13-S17 PolarHBondContact O-OG 3.43Å; H14-S17 PolarHBondContact O-N 2.89Å; V15-S17 VanDerWaalsContact C-N 3.35Å; V15-S17 PolarHBondContact O-N 3.28Å; S17-E19 VanDerWaalsContact C-N 3.32Å; S17-E19 PolarHBondContact O-N 3.2Å; S17-M20 PolarHBondContact O-N 2.69Å; S17-E21 WeakPolarHBondContact O-CG 3.28Å; S17-E21 PolarHBondContact O-N 2.91Å |
| 18 | Q | 93.4 | Very high | 86 | Confident | 103 Ų | 103 | 120.7 Ų | 120.7 | 48% | 0.481 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.7 | -40.7 | 176.5 | -76.5 | -156.9 | 65.4 | 0 | 0 | 112.4 | H14 V15 I16 E21 | H14-Q18 PolarHBondContact NE2-NE2 3.41Å; H14-Q18 PolarHBondContact O-N 2.88Å; V15-Q18 PolarHBondContact O-N 3.48Å; I16-Q18 PolarHBondContact O-N 2.97Å; Q18-E21 PolarHBondContact O-N 3.32Å |
| 19 | E | 92.8 | Very high | 86 | Confident | 111 Ų | 111 | 120.5 Ų | 120.5 | 52% | 0.519 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.4 | -39.6 | 179.5 | -172.3 | 62.9 | -174.6 | 0 | 0 | 111.7 | V15 I16 S17 E21 R22 | V15-E19 WeakPolarHBondContact O-CB 3.41Å; V15-E19 PolarHBondContact O-N 3.46Å; I16-E19 PolarHBondContact O-N 2.93Å; S17-E19 VanDerWaalsContact C-N 3.32Å; S17-E19 PolarHBondContact O-N 3.2Å; E19-E21 VanDerWaalsContact C-N 3.27Å; E19-E21 PolarHBondContact O-N 2.61Å; E19-R22 PolarHBondContact O-N 2.79Å; E19-R22 VanDerWaalsContact O-N 3.13Å |
| 20 | M | 91.1 | Very high | 85.6 | Confident | 118 Ų | 118 | 124.3 Ų | 124.3 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.4 | -30.6 | 177.5 | -69.6 | -60 | -61.2 | 0 | 0 | 113 | I16 S17 R22 I23 | I16-M20 HydrophobicContact CG2-CG 4.23Å; I16-M20 WeakPolarHBondContact O-CG 3.48Å; I16-M20 PolarHBondContact O-N 2.95Å; S17-M20 PolarHBondContact O-N 2.69Å; M20-R22 PolarHBondContact O-N 3.15Å; M20-I23 HydrophobicContact CE-CD1 3.79Å; M20-I23 PolarHBondContact O-N 2.84Å; M20-I23 HydrophobicContact SD-CD1 3.54Å; M20-I23 VanDerWaalsContact SD-CD1 3.54Å |
| 21 | E | 88 | Confident | 85.1 | Confident | 161 Ų | 161 | 124.8 Ų | 124.8 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.3 | -24.4 | 176 | -69.4 | -178.7 | 102.8 | 0 | 0 | 113 | S17 Q18 E19 | S17-E21 WeakPolarHBondContact O-CG 3.28Å; S17-E21 PolarHBondContact O-N 2.91Å; Q18-E21 PolarHBondContact O-N 3.32Å; E19-E21 VanDerWaalsContact C-N 3.27Å; E19-E21 PolarHBondContact O-N 2.61Å |
| 22 | R | 87.6 | Confident | 84.1 | Confident | 198 Ų | 198 | 126.5 Ų | 126.5 | 75% | 0.747 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -83.7 | -16.2 | -179.7 | -60 | 177.7 | 82.2 | 167.8 | 6.6 | 113.1 | E19 M20 P24 | E19-R22 PolarHBondContact O-N 2.79Å; E19-R22 VanDerWaalsContact O-N 3.13Å; M20-R22 PolarHBondContact O-N 3.15Å; R22-P24 VanDerWaalsContact O-CD 3.24Å; R22-P24 WeakPolarHBondContact O-CD 3.29Å |
| 23 | I | 88.4 | Confident | 83.2 | Confident | 90 Ų | 90 | 129 Ų | 129 | 46% | 0.462 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -65 | 118.5 | -179.9 | -59.7 | 178.6 | 0 | 0 | 0 | 108.6 | M20 R25 | M20-I23 HydrophobicContact CE-CD1 3.79Å; M20-I23 PolarHBondContact O-N 2.84Å; M20-I23 HydrophobicContact SD-CD1 3.54Å; M20-I23 VanDerWaalsContact SD-CD1 3.54Å; I23-R25 PolarHBondContact O-N 3.19Å; I23-R25 VanDerWaalsContact O-N 3.08Å |
| 24 | P | 85.4 | Confident | 81.9 | Confident | 111 Ų | 111 | 136.5 Ų | 136.5 | 72% | 0.721 | 67% | 0.672 | S | S | * | * | | | trans | -56.2 | 120.2 | 175.4 | -24.7 | 35.1 | 0 | 0 | 0 | 109.8 | R22 L26 | R22-P24 VanDerWaalsContact O-CD 3.24Å; R22-P24 WeakPolarHBondContact O-CD 3.29Å; P24-L26 PolarHBondContact O-N 2.97Å |
| 25 | R | 82 | Confident | 80.5 | Confident | 236 Ų | 236 | 137.6 Ų | 137.6 | 89% | 0.891 | 68% | 0.682 | S | S | * | * | | | trans | -66.6 | 112.5 | 178.9 | -57 | -173.7 | 88.2 | 96.4 | -1.5 | 108 | I23 | I23-R25 PolarHBondContact O-N 3.19Å; I23-R25 VanDerWaalsContact O-N 3.08Å |
| 26 | L | 76.1 | Confident | 79 | Confident | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 70% | 0.7 | S | S | * | * | | | trans | -58.3 | 142.8 | 161.4 | -63.3 | 175.4 | 0 | 0 | 0 | 107.3 | P24 | P24-L26 PolarHBondContact O-N 2.97Š|
| 27 | R | 77.4 | Confident | 77.9 | Confident | 231 Ų | 231 | 145.8 Ų | 145.8 | 87% | 0.872 | 71% | 0.713 | S | S | * | * | | | trans | -40.7 | 133.4 | -174.6 | -62.9 | -179.2 | -171.3 | 131.4 | 2 | 109.8 | | |
| 28 | P | 77.2 | Confident | 76.5 | Confident | 113 Ų | 113 | 145.9 Ų | 145.9 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 133.9 | 174.7 | -22 | 30.3 | 0 | 0 | 0 | 108.3 | E30 | P28-E30 PolarHBondContact O-N 3.15Š|
| 29 | P | 70.9 | Confident | 75.1 | Confident | 115 Ų | 115 | 149.1 Ų | 149.1 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 125 | 168.1 | 23.3 | -30.8 | 0 | 0 | 0 | 105.9 | | |
| 30 | E | 76.2 | Confident | 73.5 | Confident | 159 Ų | 159 | 150 Ų | 150 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 136.5 | 175.3 | -78.9 | -170.7 | 100 | 0 | 0 | 107.3 | P28 H32 | P28-E30 PolarHBondContact O-N 3.15Å; E30-H32 PolarHBondContact O-N 3.12Å; E30-H32 PolarHBondContact O-ND1 2.76Å |
| 31 | P | 74.9 | Confident | 72 | Confident | 121 Ų | 121 | 150 Ų | 150 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | trans | -59.7 | 94 | 171 | 25.6 | -31.1 | 0 | 0 | 0 | 105.1 | P33 | P31-P33 WeakPolarHBondContact O-CD 3.18Š|
| 32 | H | 66.6 | Low | 70.9 | Confident | 155 Ų | 155 | 153.7 Ų | 153.7 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | trans | -56.1 | 118.8 | 176.5 | -78.9 | 56.4 | 0 | 0 | 0 | 103.3 | E30 R34 | E30-H32 PolarHBondContact O-N 3.12Å; E30-H32 PolarHBondContact O-ND1 2.76Å; H32-R34 PolarHBondContact O-N 2.9Å |
| 33 | P | 69 | Low | 69.7 | Low | 124 Ų | 124 | 152.8 Ų | 152.8 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | trans | -55.7 | 108.5 | 164.1 | 23.2 | -28.8 | 0 | 0 | 0 | 103.1 | P31 D35 | P31-P33 WeakPolarHBondContact O-CD 3.18Å; P33-D35 PolarHBondContact O-N 3.27Å |
| 34 | R | 60.2 | Low | 68.2 | Low | 223 Ų | 223 | 154.2 Ų | 154.2 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | | | trans | -52.3 | 99.3 | 176 | 171.7 | 178.4 | -80.4 | 174.2 | -5.8 | 104.1 | H32 R36 | H32-R34 PolarHBondContact O-N 2.9Å; R34-R36 VanDerWaalsContact C-N 3.26Å; R34-R36 PolarHBondContact O-N 3.31Å |
| 35 | D | 61.1 | Low | 66.7 | Low | 128 Ų | 128 | 151.5 Ų | 151.5 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | | | trans | -57.8 | 106 | 173.1 | -169.5 | -86 | 0 | 0 | 0 | 103.6 | P33 S37 | P33-D35 PolarHBondContact O-N 3.27Å; D35-S37 PolarHBondContact O-N 3.11Å; D35-S37 VanDerWaalsContact OD1-CB 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.42Å |
| 36 | R | 61.7 | Low | 65.4 | Low | 238 Ų | 238 | 146.2 Ų | 146.2 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | | | trans | -81.5 | 33.5 | -166.4 | -144.6 | -178.3 | -172.7 | -174.5 | 2.9 | 108.9 | R34 | R34-R36 VanDerWaalsContact C-N 3.26Å; R34-R36 PolarHBondContact O-N 3.31Å |
| 37 | S | 65.4 | Low | 64.6 | Low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -116.5 | 99.1 | 172.9 | -62.5 | 0 | 0 | 0 | 0 | 108.3 | D35 | D35-S37 PolarHBondContact O-N 3.11Å; D35-S37 VanDerWaalsContact OD1-CB 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.42Å |
| 38 | G | 61.7 | Low | 63.7 | Low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 144.8 | -22.4 | 144 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 39 | L | 62.9 | Low | 62.9 | Low | 172 Ų | 172 | 139.3 Ų | 139.3 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | | | trans | -131.4 | 79.8 | -177.6 | -63.5 | 174.3 | 0 | 0 | 0 | 111.3 | | |
| 40 | V | 60.6 | Low | 62.1 | Low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -51.6 | 125.9 | 157.5 | -153.7 | 0 | 0 | 0 | 0 | 107 | R42 | V40-R42 PolarHBondContact O-N 2.96Š|
| 41 | P | 59.9 | Low | 61.2 | Low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -63.6 | 105.9 | 166.6 | -12.8 | 26.8 | 0 | 0 | 0 | 106 | K43 | P41-K43 VanDerWaalsContact C-N 3.27Å; P41-K43 PolarHBondContact O-N 2.97Å |
| 42 | R | 64.1 | Low | 60.3 | Low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -61.8 | 102.3 | 165.9 | -81.9 | -174.4 | 78.1 | -132.6 | 6.3 | 105.5 | V40 P44 | V40-R42 PolarHBondContact O-N 2.96Å; R42-P44 WeakPolarHBondContact O-CD 3.43Å |
| 43 | K | 63.2 | Low | 59.1 | Low | 179 Ų | 179 | 145 Ų | 145 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | | | trans | -44.8 | 122.3 | 164.7 | 179.7 | 165.2 | 174.3 | 159.2 | 0 | 106.8 | P41 G45 | P41-K43 VanDerWaalsContact C-N 3.27Å; P41-K43 PolarHBondContact O-N 2.97Å; K43-G45 PolarHBondContact O-N 2.98Å |
| 44 | P | 55.7 | Low | 57.7 | Low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -57.6 | 109.3 | 166 | -17.6 | 29.7 | 0 | 0 | 0 | 105.8 | R42 | R42-P44 WeakPolarHBondContact O-CD 3.43Š|
| 45 | G | 54.9 | Low | 57.1 | Low | 53 Ų | 53 | 137.9 Ų | 137.9 | 55% | 0.546 | 79% | 0.789 | S | S | . | * | | | trans | -59.6 | 147.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | K43 A47 | K43-G45 PolarHBondContact O-N 2.98Å; G45-A47 PolarHBondContact O-N 2.99Å |
| 46 | P | 54.4 | Low | 56.7 | Low | 125 Ų | 125 | 137.9 Ų | 137.9 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | trans | -56 | 116.2 | 174.1 | 24.5 | -31.5 | 0 | 0 | 0 | 108.2 | G48 | P46-G48 VanDerWaalsContact C-N 3.27Å; P46-G48 PolarHBondContact O-N 3.11Å |
| 47 | A | 58.4 | Low | 56 | Low | 115 Ų | 115 | 132 Ų | 132 | 95% | 0.95 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -73.1 | 88.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | G45 | G45-A47 PolarHBondContact O-N 2.99Š|
| 48 | G | 59.3 | Low | 55 | Low | 54 Ų | 54 | 130 Ų | 130 | 56% | 0.557 | 78% | 0.781 | S | S | * | * | | | trans | 179.9 | 127.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | P46 | P46-G48 VanDerWaalsContact C-N 3.27Å; P46-G48 PolarHBondContact O-N 3.11Å |
| 49 | E | 59.5 | Low | 54.4 | Low | 193 Ų | 193 | 133 Ų | 133 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 86.7 | 51.2 | 168.4 | -43.9 | -168.6 | 100.4 | 0 | 0 | 117.6 | | |
| 50 | L | 55.2 | Low | 53.4 | Low | 172 Ų | 172 | 130 Ų | 130 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | | | trans | -137.1 | 36.1 | 150.8 | -81.3 | -179.2 | 0 | 0 | 0 | 112.2 | | |
| 51 | L | 57.2 | Low | 53.3 | Low | 171 Ų | 171 | 129.8 Ų | 129.8 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -118.7 | 47.2 | 168.1 | -68 | 178.1 | 0 | 0 | 0 | 110.8 | | |
| 52 | T | 55.5 | Low | 52.5 | Low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | -158.8 | 110.4 | 159 | -54 | 0 | 0 | 0 | 0 | 106.9 | | |
| 53 | Q | 42.4 | Very low | 51.9 | Low | 194 Ų | 194 | 126.7 Ų | 126.7 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | | | | 153.3 | 107.2 | 129.9 | -166.3 | 170.5 | -74.7 | 0 | 0 | 111.6 | | |
| 54 | G | 39.1 | Very low | 51.3 | Low | 73 Ų | 73 | 123.9 Ų | 123.9 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | | 105.8 | 101.8 | 128.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 55 | N | 46.6 | Very low | 51.1 | Low | 126 Ų | 126 | 124.2 Ų | 124.2 | 67% | 0.674 | 82% | 0.815 | S | S | * | * | | | | 107 | 113.2 | 128.8 | -159.3 | 1.4 | 0 | 0 | 0 | 117.8 | T57 | N55-T57 PolarHBondContact ND2-OG1 3.39Å; N55-T57 PolarHBondContact O-N 3.34Å; N55-T57 PolarHBondContact OD1-OG1 3.25Å |
| 56 | P | 52.8 | Low | 50.9 | Low | 127 Ų | 127 | 128.4 Ų | 128.4 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | | | trans | -85.3 | 91.3 | 163 | 34.6 | -25.8 | 0 | 0 | 0 | 108.7 | G58 | P56-G58 PolarHBondContact O-N 2.98Š|
| 57 | T | 47.9 | Very low | 50.7 | Low | 115 Ų | 115 | 128.6 Ų | 128.6 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | | | trans | -91.8 | 99.3 | 172.3 | -52.6 | 0 | 0 | 0 | 0 | 110.3 | N55 | N55-T57 PolarHBondContact ND2-OG1 3.39Å; N55-T57 PolarHBondContact O-N 3.34Å; N55-T57 PolarHBondContact OD1-OG1 3.25Å |
| 58 | G | 44.6 | Very low | 50.1 | Low | 57 Ų | 57 | 129.5 Ų | 129.5 | 59% | 0.588 | 82% | 0.824 | S | S | * | * | | | | 39.6 | 120.1 | 127.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | P56 | P56-G58 PolarHBondContact O-N 2.98Š|
| 59 | S | 48.7 | Very low | 49.5 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | | | trans | 79.1 | 123.2 | 131.7 | -58.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 60 | S | 40.6 | Very low | 48.7 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | | | trans | -57.4 | 166.1 | 160.5 | -152.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 61 | P | 58.8 | Low | 48.2 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 81% | 0.805 | 83% | 0.833 | S | S | * | * | | | | -146 | 176.1 | 79.7 | 34.5 | -13.6 | 0 | 0 | 0 | 116.1 | | |
| 62 | A | 44 | Very low | 47.4 | Very low | 167 Ų | 167 | 122.9 Ų | 122.9 | 100% | 1.38 | 83% | 0.828 | S | S | * | * | | | trans | -64.2 | 0 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |