| 1 | M | 54.4 | Low | 57.9 | Low | 221 Ų | 221 | 114.4 Ų | 114.4 | 100% | 1.089 | 62% | 0.621 | S | S | * | * | | | | 0 | 98 | 0 | -63 | -161.5 | -153.9 | 0 | 0 | 106.3 | | |
| 2 | G | 54.9 | Low | 57.7 | Low | 43 Ų | 43 | 117.6 Ų | 117.6 | 44% | 0.443 | 63% | 0.629 | S | S | . | * | | | trans | -107.7 | 164.9 | -156.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A4 E5 | G2-A4 PolarHBondContact O-N 2.85Å; G2-E5 PolarHBondContact O-N 3.34Å |
| 3 | D | 63 | Low | 57.6 | Low | 141 Ų | 141 | 116.2 Ų | 116.2 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39 | -21.1 | -174.6 | -61.2 | -50.8 | 0 | 0 | 0 | 117.4 | S6 C7 | D3-S6 PolarHBondContact O-N 3.33Å; D3-C7 WeakPolarHBondContact O-CB 3.48Å; D3-C7 PolarHBondContact O-N 3.38Å |
| 4 | A | 60.6 | Low | 57.6 | Low | 71 Ų | 71 | 122 Ų | 122 | 59% | 0.587 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.5 | -42.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G2 S6 C7 L8 | G2-A4 PolarHBondContact O-N 2.85Å; A4-S6 VanDerWaalsContact C-N 3.32Å; A4-S6 PolarHBondContact O-N 3.11Å; A4-C7 PolarHBondContact O-N 3.28Å; A4-L8 WeakPolarHBondContact O-CG 3.48Å; A4-L8 PolarHBondContact O-N 3.5Å |
| 5 | E | 61.1 | Low | 57.5 | Low | 111 Ų | 111 | 124.7 Ų | 124.7 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.9 | -36.7 | 177.6 | -68.1 | 171.7 | -157 | 0 | 0 | 111 | G2 C7 L8 L9 | G2-E5 PolarHBondContact O-N 3.34Å; E5-C7 VanDerWaalsContact C-N 3.34Å; E5-L8 PolarHBondContact O-N 2.76Å; E5-L9 PolarHBondContact O-N 3.35Å; E5-L9 VanDerWaalsContact O-N 3.16Å |
| 6 | S | 57.4 | Low | 57.9 | Low | 73 Ų | 73 | 122.9 Ų | 122.9 | 51% | 0.51 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.1 | -32 | 175 | -49.1 | 0 | 0 | 0 | 0 | 112.6 | D3 A4 R10 | D3-S6 PolarHBondContact O-N 3.33Å; A4-S6 VanDerWaalsContact C-N 3.32Å; A4-S6 PolarHBondContact O-N 3.11Å; S6-R10 PolarHBondContact O-N 3.28Å |
| 7 | C | 57.3 | Low | 58.3 | Low | 78 Ų | 78 | 129.2 Ų | 129.2 | 53% | 0.527 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -72.4 | -40.1 | 176.5 | -130.3 | 0 | 0 | 0 | 0 | 111.8 | D3 A4 E5 R10 Q11 | D3-C7 WeakPolarHBondContact O-CB 3.48Å; D3-C7 PolarHBondContact O-N 3.38Å; A4-C7 PolarHBondContact O-N 3.28Å; E5-C7 VanDerWaalsContact C-N 3.34Å; C7-R10 PolarHBondContact O-N 3.34Å; C7-Q11 PolarHBondContact O-N 3.41Å; C7-Q11 VanDerWaalsContact O-N 3.08Å |
| 8 | L | 56.8 | Low | 58.9 | Low | 104 Ų | 104 | 131.9 Ų | 131.9 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.5 | -41.9 | 175.2 | -70.6 | 170.5 | 0 | 0 | 0 | 111.8 | A4 E5 R10 Q11 Q12 | A4-L8 WeakPolarHBondContact O-CG 3.48Å; A4-L8 PolarHBondContact O-N 3.5Å; E5-L8 PolarHBondContact O-N 2.76Å; L8-R10 VanDerWaalsContact C-N 3.26Å; L8-R10 PolarHBondContact O-N 2.84Å; L8-Q11 PolarHBondContact O-N 3.29Å; L8-Q12 PolarHBondContact O-N 2.91Å; L8-Q12 VanDerWaalsContact O-N 3.12Å |
| 9 | L | 56.8 | Low | 59.4 | Low | 122 Ų | 122 | 134.8 Ų | 134.8 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -61 | -35.2 | 175.3 | -130.8 | 95.3 | 0 | 0 | 0 | 112.6 | E5 T13 | E5-L9 PolarHBondContact O-N 3.35Å; E5-L9 VanDerWaalsContact O-N 3.16Å; L9-T13 PolarHBondContact O-OG1 3.36Å; L9-T13 VanDerWaalsContact O-OG1 3.1Å |
| 10 | R | 57.6 | Low | 59.7 | Low | 167 Ų | 167 | 132.7 Ų | 132.7 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -75.7 | -26.3 | 177.4 | -81.2 | 179.9 | 157.5 | -129.4 | -1.7 | 113.5 | S6 C7 L8 T13 R14 | S6-R10 PolarHBondContact O-N 3.28Å; C7-R10 PolarHBondContact O-N 3.34Å; L8-R10 VanDerWaalsContact C-N 3.26Å; L8-R10 PolarHBondContact O-N 2.84Å; R10-T13 PolarHBondContact O-OG1 3.08Å; R10-R14 WeakPolarHBondContact O-CG 2.98Å |
| 11 | Q | 56.7 | Low | 60 | Low | 127 Ų | 127 | 133.1 Ų | 133.1 | 59% | 0.593 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.2 | -42.2 | 173.4 | -80.6 | -177.1 | -11.7 | 0 | 0 | 111.5 | C7 L8 T13 R14 | C7-Q11 PolarHBondContact O-N 3.41Å; C7-Q11 VanDerWaalsContact O-N 3.08Å; L8-Q11 PolarHBondContact O-N 3.29Å; Q11-T13 PolarHBondContact O-N 3.15Å; Q11-T13 VanDerWaalsContact O-N 3.14Å; Q11-R14 PolarHBondContact O-N 3.12Å |
| 12 | Q | 55.9 | Low | 60.6 | Low | 153 Ų | 153 | 127.2 Ų | 127.2 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -59.8 | -27 | 178 | -71.9 | -176.9 | -9.8 | 0 | 0 | 113.7 | L8 | L8-Q12 PolarHBondContact O-N 2.91Å; L8-Q12 VanDerWaalsContact O-N 3.12Å |
| 13 | T | 56.1 | Low | 61.1 | Low | 100 Ų | 100 | 130.9 Ų | 130.9 | 61% | 0.613 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -92.7 | -15.4 | -178 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | L9 R10 Q11 | L9-T13 PolarHBondContact O-OG1 3.36Å; L9-T13 VanDerWaalsContact O-OG1 3.1Å; R10-T13 PolarHBondContact O-OG1 3.08Å; Q11-T13 PolarHBondContact O-N 3.15Å; Q11-T13 VanDerWaalsContact O-N 3.14Å |
| 14 | R | 58.1 | Low | 61.6 | Low | 197 Ų | 197 | 131.3 Ų | 131.3 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -90.2 | -12.1 | -179.7 | -77.7 | -178.6 | 173.6 | -152.3 | -1.2 | 113.8 | R10 Q11 V16 | R10-R14 WeakPolarHBondContact O-CG 2.98Å; Q11-R14 PolarHBondContact O-N 3.12Å; R14-V16 PolarHBondContact O-N 3.22Å |
| 15 | E | 56.7 | Low | 62.1 | Low | 162 Ų | 162 | 137.2 Ų | 137.2 | 76% | 0.757 | 65% | 0.649 | S | S | * | * | | | trans | -80.9 | 8.1 | 176.8 | -68.6 | -165.6 | 168.7 | 0 | 0 | 114.6 | R17 | E15-R17 PolarHBondContact O-N 3.32Š|
| 16 | V | 63.5 | Low | 62.5 | Low | 97 Ų | 97 | 138.8 Ų | 138.8 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | | | trans | -77.6 | 71.4 | 161.6 | -170.1 | 0 | 0 | 0 | 0 | 107.7 | R14 K18 | R14-V16 PolarHBondContact O-N 3.22Å; V16-K18 VanDerWaalsContact C-N 3.31Å; V16-K18 HydrophobicContact CG1-CD 4.45Å; V16-K18 PolarHBondContact O-N 3.46Å |
| 17 | R | 64.8 | Low | 63.5 | Low | 229 Ų | 229 | 140.5 Ų | 140.5 | 86% | 0.864 | 66% | 0.658 | S | S | * | * | | | trans | -51.1 | 100.4 | 167.1 | -70.2 | -180 | 177.5 | 174.2 | 0.3 | 106.7 | E15 K19 | E15-R17 PolarHBondContact O-N 3.32Å; R17-K19 VanDerWaalsContact C-N 3.28Å; R17-K19 PolarHBondContact O-N 3.16Å |
| 18 | K | 68.3 | Low | 64.4 | Low | 178 Ų | 178 | 144.1 Ų | 144.1 | 77% | 0.774 | 66% | 0.66 | S | S | * | * | | | trans | -65.8 | 97.2 | 171.6 | -66.5 | -68.9 | 179.7 | -178.2 | 0 | 105 | V16 P20 | V16-K18 VanDerWaalsContact C-N 3.31Å; V16-K18 HydrophobicContact CG1-CD 4.45Å; V16-K18 PolarHBondContact O-N 3.46Å; K18-P20 WeakPolarHBondContact O-CD 3.37Å |
| 19 | K | 69.3 | Low | 65.3 | Low | 187 Ų | 187 | 142.3 Ų | 142.3 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | | | trans | -47.1 | 117.9 | 170.1 | -73.8 | -177.4 | 179.2 | 178.9 | 0 | 105.8 | R17 L21 | R17-K19 VanDerWaalsContact C-N 3.28Å; R17-K19 PolarHBondContact O-N 3.16Å; K19-L21 PolarHBondContact O-N 3.38Å |
| 20 | P | 65.5 | Low | 66.1 | Low | 93 Ų | 93 | 140 Ų | 140 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | | | trans | -61.9 | 133.6 | -176.6 | 28.8 | -36.4 | 0 | 0 | 0 | 106.7 | K18 I22 | K18-P20 WeakPolarHBondContact O-CD 3.37Å; P20-I22 HydrophobicContact CB-CD1 3.89Å; P20-I22 HydrophobicContact CB-CG1 3.85Å; P20-I22 HydrophobicContact CG-CD1 3.58Å; P20-I22 HydrophobicContact CG-CG1 4Å; P20-I22 PolarHBondContact O-N 3.32Å |
| 21 | L | 66 | Low | 66.8 | Low | 141 Ų | 141 | 136.1 Ų | 136.1 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 33.8 | -178 | -64.8 | 173.2 | 0 | 0 | 0 | 112.6 | K19 N23 Y24 | K19-L21 PolarHBondContact O-N 3.38Å; L21-N23 PolarHBondContact O-N 2.96Å; L21-Y24 PolarHBondContact O-N 2.94Å |
| 22 | I | 66.9 | Low | 67.5 | Low | 98 Ų | 98 | 135.5 Ų | 135.5 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -54.2 | -41.7 | 173.6 | -62.9 | 175.3 | 0 | 0 | 0 | 107.9 | P20 Y24 R25 F26 | P20-I22 HydrophobicContact CB-CD1 3.89Å; P20-I22 HydrophobicContact CB-CG1 3.85Å; P20-I22 HydrophobicContact CG-CD1 3.58Å; P20-I22 HydrophobicContact CG-CG1 4Å; P20-I22 PolarHBondContact O-N 3.32Å; I22-Y24 PolarHBondContact O-N 2.75Å; I22-R25 PolarHBondContact O-N 3.48Å; I22-F26 HydrophobicContact CB-CE2 4.36Å; I22-F26 HydrophobicContact CG2-CD2 3.71Å; I22-F26 HydrophobicContact CG2-CE2 3.4Å; I22-F26 HydrophobicContact CG2-CZ 4.1Å; I22-F26 WeakPolarHBondContact O-CD2 3.32Å; I22-F26 PolarHBondContact O-N 3.02Å |
| 23 | N | 65 | Low | 68.3 | Low | 119 Ų | 119 | 131.5 Ų | 131.5 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -61.1 | -43.9 | -174.4 | -154 | -10.2 | 0 | 0 | 0 | 113.9 | L21 R25 L27 | L21-N23 PolarHBondContact O-N 2.96Å; N23-R25 PolarHBondContact O-N 3.43Å; N23-L27 WeakPolarHBondContact O-CB 3.34Å; N23-L27 WeakPolarHBondContact O-CD1 3.43Å; N23-L27 WeakPolarHBondContact O-CG 3.45Å; N23-L27 PolarHBondContact O-N 3.24Å; N23-L27 VanDerWaalsContact OD1-CD1 3.24Å; N23-L27 WeakPolarHBondContact OD1-CD1 3.24Å |
| 24 | Y | 74.1 | Confident | 68.7 | Low | 151 Ų | 151 | 134.1 Ų | 134.1 | 59% | 0.592 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.5 | -39.9 | -175.8 | 177.1 | -104.2 | 0 | 0 | 0 | 113.8 | L21 I22 R28 | L21-Y24 PolarHBondContact O-N 2.94Å; I22-Y24 PolarHBondContact O-N 2.75Å; Y24-R28 VanDerWaalsContact O-CB 3.32Å; Y24-R28 WeakPolarHBondContact O-CB 3.49Å; Y24-R28 PolarHBondContact O-N 3.2Å |
| 25 | R | 71.2 | Confident | 68.8 | Low | 194 Ų | 194 | 130.7 Ų | 130.7 | 73% | 0.732 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.1 | -37.2 | -175.9 | -68.1 | -175 | 177.9 | -175.6 | 0 | 112 | I22 N23 A29 | I22-R25 PolarHBondContact O-N 3.48Å; N23-R25 PolarHBondContact O-N 3.43Å; R25-A29 WeakPolarHBondContact O-CB 3.19Å; R25-A29 PolarHBondContact O-N 3.38Å |
| 26 | F | 69.7 | Low | 68.9 | Low | 145 Ų | 145 | 134 Ų | 134 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.4 | -44.1 | 178.2 | -75.9 | -107.1 | 0 | 0 | 0 | 111.1 | I22 R28 A29 A30 | I22-F26 HydrophobicContact CB-CE2 4.36Å; I22-F26 HydrophobicContact CG2-CD2 3.71Å; I22-F26 HydrophobicContact CG2-CE2 3.4Å; I22-F26 HydrophobicContact CG2-CZ 4.1Å; I22-F26 WeakPolarHBondContact O-CD2 3.32Å; I22-F26 PolarHBondContact O-N 3.02Å; F26-R28 VanDerWaalsContact C-N 3.33Å; F26-R28 PolarHBondContact O-N 3.32Å; F26-A29 PolarHBondContact O-N 3.33Å; F26-A30 WeakPolarHBondContact O-CB 3.37Å; F26-A30 PolarHBondContact O-N 3.46Å |
| 27 | L | 77.2 | Confident | 68.5 | Low | 109 Ų | 109 | 130.9 Ų | 130.9 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.8 | -40.6 | 175.2 | -68.5 | 174.3 | 0 | 0 | 0 | 112 | N23 A31 | N23-L27 WeakPolarHBondContact O-CB 3.34Å; N23-L27 WeakPolarHBondContact O-CD1 3.43Å; N23-L27 WeakPolarHBondContact O-CG 3.45Å; N23-L27 PolarHBondContact O-N 3.24Å; N23-L27 VanDerWaalsContact OD1-CD1 3.24Å; N23-L27 WeakPolarHBondContact OD1-CD1 3.24Å; L27-A31 WeakPolarHBondContact O-CB 3.43Å; L27-A31 PolarHBondContact O-N 3Å |
| 28 | R | 76.5 | Confident | 68.1 | Low | 154 Ų | 154 | 125.6 Ų | 125.6 | 58% | 0.581 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.3 | -40.9 | 175.4 | -169.2 | 176.3 | -166.1 | -127.4 | 2.2 | 112.2 | Y24 F26 A31 N32 | Y24-R28 VanDerWaalsContact O-CB 3.32Å; Y24-R28 WeakPolarHBondContact O-CB 3.49Å; Y24-R28 PolarHBondContact O-N 3.2Å; F26-R28 VanDerWaalsContact C-N 3.33Å; F26-R28 PolarHBondContact O-N 3.32Å; R28-A31 PolarHBondContact O-N 3.48Å; R28-N32 PolarHBondContact O-N 2.72Å; R28-N32 PolarHBondContact O-ND2 3.46Å |
| 29 | A | 74.7 | Confident | 67.5 | Low | 65 Ų | 65 | 125.2 Ų | 125.2 | 54% | 0.537 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65.3 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R25 F26 N32 A33 | R25-A29 WeakPolarHBondContact O-CB 3.19Å; R25-A29 PolarHBondContact O-N 3.38Å; F26-A29 PolarHBondContact O-N 3.33Å; A29-N32 PolarHBondContact O-N 3.5Å; A29-A33 PolarHBondContact O-N 3.2Å; A29-A33 VanDerWaalsContact O-N 3.08Å |
| 30 | A | 73.4 | Confident | 66.7 | Low | 74 Ų | 74 | 120.5 Ų | 120.5 | 61% | 0.612 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.4 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F26 N32 A33 | F26-A30 WeakPolarHBondContact O-CB 3.37Å; F26-A30 PolarHBondContact O-N 3.46Å; A30-N32 VanDerWaalsContact C-N 3.29Å; A30-N32 PolarHBondContact O-N 3.29Å; A30-A33 PolarHBondContact O-N 3.41Å |
| 31 | A | 73.6 | Confident | 66.2 | Low | 85 Ų | 85 | 124 Ų | 124 | 70% | 0.702 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.1 | -23.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L27 R28 | L27-A31 WeakPolarHBondContact O-CB 3.43Å; L27-A31 PolarHBondContact O-N 3Å; R28-A31 PolarHBondContact O-N 3.48Å |
| 32 | N | 71.8 | Confident | 65.7 | Low | 114 Ų | 114 | 127.7 Ų | 127.7 | 61% | 0.61 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 1.7 | 178.3 | -67.7 | -76.6 | 0 | 0 | 0 | 113 | R28 A29 A30 E34 | R28-N32 PolarHBondContact O-N 2.72Å; R28-N32 PolarHBondContact O-ND2 3.46Å; A29-N32 PolarHBondContact O-N 3.5Å; A30-N32 VanDerWaalsContact C-N 3.29Å; A30-N32 PolarHBondContact O-N 3.29Å; N32-E34 PolarHBondContact O-N 3.15Å |
| 33 | A | 71.4 | Confident | 65.3 | Low | 70 Ų | 70 | 129.5 Ų | 129.5 | 58% | 0.579 | 68% | 0.678 | S | S | * | * | | | trans | -72.9 | 86 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | A29 A30 | A29-A33 PolarHBondContact O-N 3.2Å; A29-A33 VanDerWaalsContact O-N 3.08Å; A30-A33 PolarHBondContact O-N 3.41Å |
| 34 | E | 65.8 | Low | 65 | Low | 154 Ų | 154 | 129.3 Ų | 129.3 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | | | trans | -53.1 | 127.5 | 169.1 | -79.8 | -177.4 | 167.1 | 0 | 0 | 108.5 | N32 R36 | N32-E34 PolarHBondContact O-N 3.15Å; E34-R36 VanDerWaalsContact C-N 3.32Å; E34-R36 PolarHBondContact O-N 2.84Å |
| 35 | P | 58.9 | Low | 64 | Low | 126 Ų | 126 | 128.1 Ų | 128.1 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | | | trans | -65.5 | 100.7 | 169.3 | 26.4 | -30 | 0 | 0 | 0 | 106.7 | G37 | P35-G37 PolarHBondContact O-N 3.25Š|
| 36 | R | 58.4 | Low | 63.2 | Low | 230 Ų | 230 | 123.3 Ų | 123.3 | 87% | 0.868 | 70% | 0.701 | S | S | * | * | | | trans | -70.8 | 67.2 | 162.1 | -67.8 | -140.8 | 176.5 | 140.8 | 0.2 | 108.5 | E34 | E34-R36 VanDerWaalsContact C-N 3.32Å; E34-R36 PolarHBondContact O-N 2.84Å |
| 37 | G | 56.1 | Low | 62.6 | Low | 32 Ų | 32 | 126.5 Ų | 126.5 | 33% | 0.33 | 71% | 0.714 | S | S | . | * | | | trans | -75.5 | 159.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | P35 Q39 A40 | P35-G37 PolarHBondContact O-N 3.25Å; G37-Q39 PolarHBondContact O-N 3.34Å; G37-A40 PolarHBondContact O-N 3.27Å |
| 38 | P | 57.3 | Low | 61.5 | Low | 118 Ų | 118 | 132.7 Ų | 132.7 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -61.9 | 0.3 | -178.4 | 22.7 | -32 | 0 | 0 | 0 | 115.2 | A40 | P38-A40 VanDerWaalsContact C-N 3.32Å; P38-A40 PolarHBondContact O-N 3.27Å |
| 39 | Q | 54.2 | Low | 60.6 | Low | 171 Ų | 171 | 134.3 Ų | 134.3 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -72.6 | -19.5 | 174.6 | -71.5 | -165.2 | -4.9 | 0 | 0 | 114.1 | G37 Q41 R42 | G37-Q39 PolarHBondContact O-N 3.34Å; Q39-Q41 PolarHBondContact O-N 3.09Å; Q39-Q41 VanDerWaalsContact O-N 3.11Å; Q39-R42 PolarHBondContact O-N 3.46Å |
| 40 | A | 52.8 | Low | 59.5 | Low | 87 Ų | 87 | 137.5 Ų | 137.5 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -69.3 | -4.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G37 P38 | G37-A40 PolarHBondContact O-N 3.27Å; P38-A40 VanDerWaalsContact C-N 3.32Å; P38-A40 PolarHBondContact O-N 3.27Å |
| 41 | Q | 55.1 | Low | 58.3 | Low | 168 Ų | 168 | 136.1 Ų | 136.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -101.8 | 1.5 | 178.8 | -73.6 | -172.3 | -10 | 0 | 0 | 114.6 | Q39 | Q39-Q41 PolarHBondContact O-N 3.09Å; Q39-Q41 VanDerWaalsContact O-N 3.11Å |
| 42 | R | 56.5 | Low | 57.1 | Low | 217 Ų | 217 | 136.3 Ų | 136.3 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -96.1 | 11.1 | -170.9 | -73.3 | -171 | 169.1 | -168.1 | -3.1 | 116.6 | Q39 | Q39-R42 PolarHBondContact O-N 3.46Š|
| 43 | T | 58.2 | Low | 56.1 | Low | 136 Ų | 136 | 139.9 Ų | 139.9 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -125.4 | 55.2 | 179.7 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 44 | S | 57.5 | Low | 55 | Low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -125.5 | -1.4 | 163.5 | 65 | 0 | 0 | 0 | 0 | 114.9 | | |
| 45 | C | 54.3 | Low | 54.1 | Low | 126 Ų | 126 | 140.7 Ų | 140.7 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -130.1 | 65.2 | 179.9 | -166.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 46 | A | 54.6 | Low | 53.5 | Low | 93 Ų | 93 | 145.2 Ų | 145.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -160.6 | 38.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 47 | K | 55.3 | Low | 53.2 | Low | 211 Ų | 211 | 139.7 Ų | 139.7 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | | | trans | -149 | 55.1 | 167.4 | -70.8 | -163.2 | -179 | 178.6 | 0 | 112 | | |
| 48 | R | 55.3 | Low | 52.9 | Low | 239 Ų | 239 | 148.6 Ų | 148.6 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -120 | 128.4 | 149.2 | -83.7 | -176.9 | 169.9 | -170.2 | -3.3 | 105.1 | | |
| 49 | E | 57.2 | Low | 52.4 | Low | 189 Ų | 189 | 151.5 Ų | 151.5 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 81.4 | 61 | 173.9 | -51.4 | 172.3 | -157.7 | 0 | 0 | 117.3 | | |
| 50 | C | 51.5 | Low | 52.2 | Low | 131 Ų | 131 | 154.9 Ų | 154.9 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -152.9 | 17.9 | 153.9 | -100.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 51 | G | 47.6 | Very low | 51.9 | Low | 46 Ų | 46 | 154.6 Ų | 154.6 | 47% | 0.474 | 79% | 0.787 | S | S | . | * | S | Bend | trans | -102.4 | -12.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 52 | A | 49.4 | Very low | 51.3 | Low | 89 Ų | 89 | 149.9 Ų | 149.9 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -13.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 53 | F | 50 | Low | 51.4 | Low | 188 Ų | 188 | 151.5 Ų | 151.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -28.1 | -175.3 | -168.1 | -104.9 | 0 | 0 | 0 | 113.9 | | |
| 54 | T | 48.5 | Very low | 51.2 | Low | 95 Ų | 95 | 153.5 Ų | 153.5 | 58% | 0.583 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -10 | -173.7 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 55 | Q | 47.8 | Very low | 51.5 | Low | 147 Ų | 147 | 153.3 Ų | 153.3 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | H | α-helix | trans | -71.9 | -28.9 | 178.4 | -83.8 | -175.9 | -15 | 0 | 0 | 113.8 | V57 | Q55-V57 VanDerWaalsContact C-N 3.29Å; Q55-V57 PolarHBondContact O-N 3.22Å |
| 56 | R | 46.7 | Very low | 51.8 | Low | 221 Ų | 221 | 153.6 Ų | 153.6 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | H | α-helix | trans | -74.2 | -16.2 | -178.1 | -62.6 | -171.7 | -170.6 | -158.1 | 2 | 114.4 | | |
| 57 | V | 51.4 | Low | 51.7 | Low | 114 Ų | 114 | 154 Ų | 154 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | H | α-helix | trans | -89.1 | -29 | -178 | -177 | 0 | 0 | 0 | 0 | 111.8 | Q55 | Q55-V57 VanDerWaalsContact C-N 3.29Å; Q55-V57 PolarHBondContact O-N 3.22Å |
| 58 | R | 49.1 | Very low | 51.2 | Low | 219 Ų | 219 | 148 Ų | 148 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | H | α-helix | trans | -83.3 | -20.3 | -174.6 | -117.5 | -179.7 | -177.1 | 174.6 | 1.2 | 114.6 | R60 | R58-R60 VanDerWaalsContact C-N 3.28Å; R58-R60 PolarHBondContact O-N 3.02Å |
| 59 | E | 47.7 | Very low | 50.8 | Low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -16.1 | 179 | -75.3 | -175.5 | 158.8 | 0 | 0 | 113.7 | | |
| 60 | R | 48.8 | Very low | 50.5 | Low | 242 Ų | 242 | 137.1 Ų | 137.1 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -10.4 | -179.4 | -159.1 | 170.9 | -175.8 | -174.9 | 1.2 | 114.4 | R58 | R58-R60 VanDerWaalsContact C-N 3.28Å; R58-R60 PolarHBondContact O-N 3.02Å |
| 61 | A | 47.7 | Very low | 50.5 | Low | 81 Ų | 81 | 140.7 Ų | 140.7 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -110.5 | 85.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 62 | G | 43.1 | Very low | 50.3 | Low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | 71 | 107.1 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118 | Q64 | G62-Q64 PolarHBondContact O-N 2.83Š|
| 63 | R | 57.8 | Low | 50.2 | Low | 250 Ų | 250 | 147.6 Ų | 147.6 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | | | trans | -45.7 | 117.3 | 153.3 | -67.7 | 172.8 | 173.1 | -175 | -2.8 | 111.1 | | |
| 64 | Q | 53.7 | Low | 50.1 | Low | 178 Ų | 178 | 149.6 Ų | 149.6 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -165.7 | 126.9 | 143.1 | -87.9 | -134 | -14.4 | 0 | 0 | 110.5 | G62 | G62-Q64 PolarHBondContact O-N 2.83Š|
| 65 | P | 63.3 | Low | 50.6 | Low | 112 Ų | 112 | 149.6 Ų | 149.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 139.5 | 160.7 | 30.9 | -28.7 | 0 | 0 | 0 | 109.7 | A67 | P65-A67 PolarHBondContact O-N 2.78Å; P65-A67 VanDerWaalsContact O-N 3.15Å |
| 66 | P | 60.8 | Low | 50.9 | Low | 132 Ų | 132 | 150.7 Ų | 150.7 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 117.7 | 172.9 | 25.8 | -31 | 0 | 0 | 0 | 109.8 | | |
| 67 | A | 53.5 | Low | 51.3 | Low | 102 Ų | 102 | 151.8 Ų | 151.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 142.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P65 | P65-A67 PolarHBondContact O-N 2.78Å; P65-A67 VanDerWaalsContact O-N 3.15Å |
| 68 | G | 44.7 | Very low | 51.4 | Low | 85 Ų | 85 | 149.6 Ų | 149.6 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | | | trans | 98.8 | 94.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 69 | G | 46.2 | Very low | 51.8 | Low | 78 Ų | 78 | 150.9 Ų | 150.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -154.6 | 65.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 70 | T | 51.3 | Low | 52.6 | Low | 121 Ų | 121 | 153.9 Ų | 153.9 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | | | trans | -62.4 | 140.1 | 164.1 | 47.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 71 | R | 51.4 | Low | 53 | Low | 207 Ų | 207 | 153.6 Ų | 153.6 | 78% | 0.781 | 82% | 0.818 | S | S | * | * | | | | 167.2 | 119.6 | 125 | -87.4 | 167.1 | -161.2 | -142.1 | 4.7 | 114.3 | | |
| 72 | H | 43.5 | Very low | 53.8 | Low | 161 Ų | 161 | 155.1 Ų | 155.1 | 75% | 0.745 | 82% | 0.823 | S | S | * | * | | | trans | 76.9 | 84.6 | 146.6 | -45.4 | -45.1 | 0 | 0 | 0 | 120.1 | R74 | H72-R74 PolarHBondContact O-N 3.32Š|
| 73 | S | 47.4 | Very low | 54.6 | Low | 118 Ų | 118 | 159.9 Ų | 159.9 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -79.6 | 84.6 | 152.5 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | A75 | S73-A75 PolarHBondContact O-N 3.12Š|
| 74 | R | 46.9 | Very low | 54.7 | Low | 231 Ų | 231 | 153.9 Ų | 153.9 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | | | trans | -80.2 | 70.8 | 163.2 | -165.7 | 176.9 | -170.3 | 170 | 3.7 | 108.9 | H72 E76 | H72-R74 PolarHBondContact O-N 3.32Å; R74-E76 PolarHBondContact O-N 3.2Å |
| 75 | A | 58.9 | Low | 54.9 | Low | 95 Ų | 95 | 157.2 Ų | 157.2 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | | | trans | -83.1 | 85.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S73 | S73-A75 PolarHBondContact O-N 3.12Š|
| 76 | E | 54.8 | Low | 54.5 | Low | 169 Ų | 169 | 157.4 Ų | 157.4 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | | | trans | -138.3 | 64.2 | 167.3 | -139.1 | 170.5 | -169.4 | 0 | 0 | 109.2 | R74 G78 | R74-E76 PolarHBondContact O-N 3.2Å; E76-G78 VanDerWaalsContact C-N 3.34Å; E76-G78 PolarHBondContact O-N 3.14Å; E76-G78 VanDerWaalsContact O-N 3.09Å |
| 77 | R | 54.6 | Low | 54.4 | Low | 244 Ų | 244 | 163 Ų | 163 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | | | trans | -77.2 | 93.3 | 168.5 | -101.1 | -176.7 | -78.3 | -167 | -2.7 | 107.8 | R79 | R77-R79 PolarHBondContact O-N 3.08Š|
| 78 | G | 54 | Low | 54.6 | Low | 68 Ų | 68 | 164.5 Ų | 164.5 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | | | trans | -41.7 | 133 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E76 R80 | E76-G78 VanDerWaalsContact C-N 3.34Å; E76-G78 PolarHBondContact O-N 3.14Å; E76-G78 VanDerWaalsContact O-N 3.09Å; G78-R80 PolarHBondContact O-N 3.25Å |
| 79 | R | 58.5 | Low | 55.1 | Low | 246 Ų | 246 | 171.8 Ų | 171.8 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | | | trans | -48.7 | 123.5 | -178.7 | -71.4 | 171.9 | 172.6 | -116 | 0.7 | 111.3 | R77 R81 | R77-R79 PolarHBondContact O-N 3.08Å; R79-R81 PolarHBondContact O-N 3.32Å |
| 80 | R | 63.7 | Low | 55.6 | Low | 241 Ų | 241 | 174.3 Ų | 174.3 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | | | trans | -61.4 | 116.4 | 174.4 | -62.1 | 177.5 | 178 | -143.2 | 0.3 | 109.2 | G78 S82 | G78-R80 PolarHBondContact O-N 3.25Å; R80-S82 PolarHBondContact O-N 3.25Å |
| 81 | R | 57.1 | Low | 55.8 | Low | 237 Ų | 237 | 174.7 Ų | 174.7 | 89% | 0.894 | 84% | 0.835 | S | S | * | * | | | trans | -75 | 114.6 | 164.4 | -73.3 | -178.6 | -178.8 | 174.6 | 0 | 107.9 | R79 | R79-R81 PolarHBondContact O-N 3.32Š|
| 82 | S | 64.6 | Low | 55.8 | Low | 112 Ų | 112 | 169 Ų | 169 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | | | trans | -67.2 | 129.2 | 165.8 | 40.7 | 0 | 0 | 0 | 0 | 108.7 | R80 | R80-S82 PolarHBondContact O-N 3.25Š|
| 83 | H | 60.7 | Low | 56.3 | Low | 170 Ų | 170 | 168.9 Ų | 168.9 | 79% | 0.787 | 84% | 0.836 | S | S | * | * | | | trans | -106.4 | 128.4 | 167.3 | -98.8 | 34.3 | 0 | 0 | 0 | 108.7 | R85 | H83-R85 PolarHBondContact O-N 3.1Š|
| 84 | P | 59.4 | Low | 56.7 | Low | 124 Ų | 124 | 171 Ų | 171 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | | | trans | -72.3 | 126.9 | 172.6 | 28.1 | -30 | 0 | 0 | 0 | 110 | S86 | P84-S86 PolarHBondContact O-N 3.17Š|
| 85 | R | 57.1 | Low | 57 | Low | 249 Ų | 249 | 171.4 Ų | 171.4 | 94% | 0.94 | 84% | 0.839 | S | S | * | * | | | trans | -71 | 108.7 | 170 | -101.9 | 173.4 | 163.6 | 168.4 | -5.7 | 108.8 | H83 | H83-R85 PolarHBondContact O-N 3.1Š|
| 86 | S | 56.3 | Low | 56.5 | Low | 116 Ų | 116 | 171.6 Ų | 171.6 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 128.8 | 162.6 | 56.4 | 0 | 0 | 0 | 0 | 109.6 | P84 | P84-S86 PolarHBondContact O-N 3.17Š|
| 87 | R | 58.8 | Low | 56.4 | Low | 248 Ų | 248 | 169.3 Ų | 169.3 | 94% | 0.936 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 130.4 | -173.9 | -76 | 158.4 | 89.3 | 158.1 | 3 | 111.7 | | |
| 88 | T | 56.9 | Low | 55.9 | Low | 134 Ų | 134 | 165.9 Ų | 165.9 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 123.4 | 164.1 | -29.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 89 | R | 55.6 | Low | 55.6 | Low | 239 Ų | 239 | 169.2 Ų | 169.2 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 117.4 | 164.9 | -86 | -178.4 | 168.2 | -179.4 | -3.5 | 108.4 | | |
| 90 | T | 56.2 | Low | 54.8 | Low | 131 Ų | 131 | 166.5 Ų | 166.5 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 123.3 | 168.9 | 25.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 91 | T | 54.8 | Low | 53.8 | Low | 128 Ų | 128 | 164.5 Ų | 164.5 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | | | trans | -124.4 | 85.2 | 157.2 | 54.4 | 0 | 0 | 0 | 0 | 107.6 | L93 | T91-L93 PolarHBondContact O-N 3.33Š|
| 92 | A | 51.5 | Low | 52.9 | Low | 88 Ų | 88 | 156.1 Ų | 156.1 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | -77.1 | 99.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | L94 | A92-L94 PolarHBondContact O-N 2.74Š|
| 93 | L | 55.3 | Low | 51.6 | Low | 159 Ų | 159 | 158.9 Ų | 158.9 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | | | trans | -87 | 93.1 | 163 | -75.1 | 172.5 | 0 | 0 | 0 | 107.6 | T91 R95 | T91-L93 PolarHBondContact O-N 3.33Å; L93-R95 PolarHBondContact O-N 2.98Å |
| 94 | L | 55.4 | Low | 50.5 | Low | 163 Ų | 163 | 154 Ų | 154 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | | | trans | -56.6 | 114.7 | 157.9 | -76.2 | 145.2 | 0 | 0 | 0 | 108 | A92 | A92-L94 PolarHBondContact O-N 2.74Š|
| 95 | R | 53.4 | Low | 49.5 | Very low | 239 Ų | 239 | 156.2 Ų | 156.2 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | | | trans | -118.1 | 100.5 | 154.3 | -80 | -171.1 | 174.2 | 175.2 | -1.5 | 108 | L93 | L93-R95 PolarHBondContact O-N 2.98Š|
| 96 | S | 48.7 | Very low | 48.8 | Very low | 99 Ų | 99 | 153 Ų | 153 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | | | trans | -53.2 | 137.9 | 173 | 43.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 97 | S | 51.4 | Low | 47.9 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | | | trans | -51.7 | 128 | 151.8 | 38.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 98 | Q | 45.3 | Very low | 47.1 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | | | trans | -137.4 | 93.3 | 161.8 | -158.3 | 171.7 | 15.2 | 0 | 0 | 108.9 | | |
| 99 | T | 46.2 | Very low | 46.4 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | | | trans | -86 | 117.2 | 157.3 | 42.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 100 | K | 43.4 | Very low | 46 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | trans | -139.6 | 115 | 154.9 | -100.7 | -167 | 175 | -172.5 | 0 | 108.5 | | |
| 101 | Q | 42.3 | Very low | 45.5 | Very low | 198 Ų | 198 | 141 Ų | 141 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | | | trans | -61.2 | 151.7 | 157 | -60.7 | -179.1 | 10.8 | 0 | 0 | 109.3 | | |
| 102 | G | 38 | Very low | 44.9 | Very low | 62 Ų | 62 | 139.8 Ų | 139.8 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | | | trans | 133.2 | 109.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 103 | D | 37.6 | Very low | 44.6 | Very low | 169 Ų | 169 | 143 Ų | 143 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | | | trans | 85.7 | 102.9 | 149.1 | -49.5 | -33.2 | 0 | 0 | 0 | 119.6 | | |
| 104 | G | 37.5 | Very low | 44 | Very low | 69 Ų | 69 | 146.6 Ų | 146.6 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | | | | 94.8 | 110.3 | 114.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 105 | H | 38 | Very low | 43.5 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | | | trans | 82.2 | 111.7 | 147.7 | -68.5 | -60.3 | 0 | 0 | 0 | 121.1 | | |
| 106 | Q | 41.9 | Very low | 43.4 | Very low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | | 77.4 | 114.8 | 129.4 | -62.7 | -177 | 58.5 | 0 | 0 | 118.4 | | |
| 107 | G | 38.6 | Very low | 42.9 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 175.4 | 68.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | A109 | G107-A109 PolarHBondContact O-N 3.24Š|
| 108 | E | 40.6 | Very low | 42.1 | Very low | 204 Ų | 204 | 142.7 Ų | 142.7 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | | | trans | -53.9 | 122.8 | 166.2 | -70.4 | 178.9 | 136.1 | 0 | 0 | 110.3 | | |
| 109 | A | 43.5 | Very low | 41.9 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -158 | 100.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | G107 V111 | G107-A109 PolarHBondContact O-N 3.24Å; A109-V111 PolarHBondContact O-N 2.94Å |
| 110 | A | 46.9 | Very low | 42.1 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -54.3 | 120.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 111 | V | 45.1 | Very low | 42.2 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -119.1 | 101 | 149.1 | 176 | 0 | 0 | 0 | 0 | 105.9 | A109 E113 | A109-V111 PolarHBondContact O-N 2.94Å; V111-E113 PolarHBondContact O-N 3.48Å; V111-E113 VanDerWaalsContact O-N 3.12Å |
| 112 | S | 41.9 | Very low | 42.3 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -71.8 | 97.5 | -179.1 | -163.7 | 0 | 0 | 0 | 0 | 109 | R114 | S112-R114 PolarHBondContact O-N 3.02Å; S112-R114 VanDerWaalsContact O-N 3.16Å |
| 113 | E | 44.9 | Very low | 42.6 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | trans | -69.4 | 101.4 | 164.4 | -73 | -168.1 | 150.4 | 0 | 0 | 108.8 | V111 F115 | V111-E113 PolarHBondContact O-N 3.48Å; V111-E113 VanDerWaalsContact O-N 3.12Å; E113-F115 HydrophobicContact CB-CD2 4.05Å; E113-F115 HydrophobicContact CB-CE2 4.19Å; E113-F115 PolarHBondContact O-N 3.35Å; E113-F115 VanDerWaalsContact O-N 3.15Å; E113-F115 WeakPolarHBondContact OE2-CE2 3.36Å |
| 114 | R | 44.3 | Very low | 43.1 | Very low | 235 Ų | 235 | 138 Ų | 138 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -77.7 | 90.2 | 165.6 | -70.8 | -173.2 | -170.8 | -162.2 | 3 | 109.1 | S112 | S112-R114 PolarHBondContact O-N 3.02Å; S112-R114 VanDerWaalsContact O-N 3.16Å |
| 115 | F | 43.9 | Very low | 43.4 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 69% | 0.689 | 81% | 0.805 | S | S | * | * | | | trans | -88.3 | 118.7 | 155.4 | -80.1 | -89.7 | 0 | 0 | 0 | 108.6 | E113 Q117 | E113-F115 HydrophobicContact CB-CD2 4.05Å; E113-F115 HydrophobicContact CB-CE2 4.19Å; E113-F115 PolarHBondContact O-N 3.35Å; E113-F115 VanDerWaalsContact O-N 3.15Å; E113-F115 WeakPolarHBondContact OE2-CE2 3.36Å; F115-Q117 PolarHBondContact O-N 3.16Å |
| 116 | P | 51.8 | Low | 43.7 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -74.9 | 115.3 | 158.8 | 27.3 | -26.9 | 0 | 0 | 0 | 109.1 | G118 | P116-G118 PolarHBondContact O-N 3.49Š|
| 117 | Q | 36.7 | Very low | 44.1 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | trans | -56.9 | 120 | 169.2 | -66.6 | 162.7 | -21.8 | 0 | 0 | 110.3 | F115 | F115-Q117 PolarHBondContact O-N 3.16Š|
| 118 | G | 36.3 | Very low | 44.7 | Very low | 79 Ų | 79 | 147.6 Ų | 147.6 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | | | trans | -99.1 | 106.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | P116 | P116-G118 PolarHBondContact O-N 3.49Š|
| 119 | H | 41.3 | Very low | 45.3 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | | | trans | -60.1 | 145.6 | 178.4 | -108.7 | -91.9 | 0 | 0 | 0 | 112.5 | | |
| 120 | P | 49 | Very low | 45.5 | Very low | 117 Ų | 117 | 154 Ų | 154 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -88.1 | 114.6 | 167.7 | 33.1 | -25.8 | 0 | 0 | 0 | 109.2 | | |
| 121 | E | 46.9 | Very low | 45.2 | Very low | 183 Ų | 183 | 154 Ų | 154 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | -102.2 | 112.5 | 163.2 | -73.3 | -159.7 | 160 | 0 | 0 | 109.9 | | |
| 122 | A | 43.8 | Very low | 45.1 | Very low | 89 Ų | 89 | 155.9 Ų | 155.9 | 74% | 0.736 | 83% | 0.831 | S | S | * | * | | | trans | -84 | 122.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 123 | L | 43.6 | Very low | 45.3 | Very low | 157 Ų | 157 | 158.5 Ų | 158.5 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | | | trans | 175.8 | 130.6 | 158.4 | -87.7 | 129.6 | 0 | 0 | 0 | 103.7 | | |
| 124 | T | 48.8 | Very low | 45.3 | Very low | 122 Ų | 122 | 158.7 Ų | 158.7 | 75% | 0.748 | 84% | 0.842 | S | S | * | * | | | cis | -161.5 | 144.6 | 13.2 | 17.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 125 | R | 42.9 | Very low | 45.4 | Very low | 242 Ų | 242 | 154.4 Ų | 154.4 | 91% | 0.913 | 84% | 0.84 | S | S | * | * | | | trans | -57.2 | 120.9 | 163.4 | -174.6 | -176.1 | -171.2 | 172.5 | 1.7 | 110.1 | | |
| 126 | E | 45.9 | Very low | 45.5 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 90% | 0.902 | 85% | 0.849 | S | S | * | * | | | trans | -138.4 | 126.6 | 150 | -83.6 | -117.7 | 142.2 | 0 | 0 | 107.6 | | |
| 127 | E | 48.8 | Very low | 45.1 | Very low | 178 Ų | 178 | 156 Ų | 156 | 83% | 0.832 | 85% | 0.85 | S | S | * | * | | | trans | -94.7 | -166.6 | 180 | -148.3 | -161.6 | -163.4 | 0 | 0 | 109.1 | | |
| 128 | P | 51.8 | Low | 45.6 | Very low | 89 Ų | 89 | 154.7 Ų | 154.7 | 58% | 0.578 | 85% | 0.852 | S | S | * | * | | | | -88.2 | 153.9 | -126 | 35.8 | -19.8 | 0 | 0 | 0 | 114.3 | | |
| 129 | R | 52.3 | Low | 46.3 | Very low | 257 Ų | 257 | 160.1 Ų | 160.1 | 97% | 0.97 | 86% | 0.855 | S | S | * | * | | | trans | -92.1 | 109.7 | 160.5 | -70.7 | -170.2 | 178.9 | -169.8 | 0.2 | 109.9 | | |
| 130 | H | 47.5 | Very low | 46.7 | Very low | 175 Ų | 175 | 159.9 Ų | 159.9 | 81% | 0.81 | 86% | 0.863 | S | S | * | * | | | trans | -74.9 | 161.2 | 162.2 | -92.3 | -70.5 | 0 | 0 | 0 | 112.1 | | |
| 131 | A | 42.6 | Very low | 46.5 | Very low | 101 Ų | 101 | 163.5 Ų | 163.5 | 84% | 0.835 | 87% | 0.871 | S | S | * | * | | | trans | 79.1 | 135.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 132 | A | 42.8 | Very low | 46.4 | Very low | 176 Ų | 176 | 161.7 Ų | 161.7 | 100% | 1.455 | 87% | 0.873 | S | S | * | * | | | cis | -149.5 | 0 | 17.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |