| 1 | M | 61.1 | Low | 63.8 | Low | 195 Ų | 195 | 133.1 Ų | 133.1 | 96% | 0.961 | 65% | 0.651 | S | S | * | * | | | | 0 | -58.9 | 0 | -66.1 | -61.3 | -128.9 | 0 | 0 | 111.6 | E3 I4 E5 | M1-E3 PolarHBondContact O-N 3.02Å; M1-E3 VanDerWaalsContact O-N 3.12Å; M1-I4 PolarHBondContact O-N 3.31Å; M1-I4 VanDerWaalsContact O-N 3.17Å; M1-E5 PolarHBondContact O-N 3.34Å |
| 2 | H | 65.8 | Low | 62.9 | Low | 151 Ų | 151 | 125.6 Ų | 125.6 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -55.6 | -29.6 | -179.7 | -72.6 | 96 | 0 | 0 | 0 | 115.9 | K6 | H2-K6 WeakPolarHBondContact O-CG 3.48Å |
| 3 | E | 68.6 | Low | 62.5 | Low | 143 Ų | 143 | 128.2 Ų | 128.2 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.8 | -35.7 | -179.8 | -169.3 | 157.9 | -163.6 | 0 | 0 | 112.9 | M1 E5 K6 F7 | M1-E3 PolarHBondContact O-N 3.02Å; M1-E3 VanDerWaalsContact O-N 3.12Å; E3-E5 VanDerWaalsContact C-N 3.34Å; E3-K6 PolarHBondContact O-N 2.97Å; E3-F7 HydrophobicContact CG-CE2 4.32Å; E3-F7 WeakPolarHBondContact O-CD2 3.15Å |
| 4 | I | 70.3 | Confident | 62.2 | Low | 102 Ų | 102 | 124.8 Ų | 124.8 | 52% | 0.523 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.2 | -35.2 | 177.2 | -61.9 | 170.8 | 0 | 0 | 0 | 110.5 | M1 K6 F7 Q8 | M1-I4 PolarHBondContact O-N 3.31Å; M1-I4 VanDerWaalsContact O-N 3.17Å; I4-K6 VanDerWaalsContact C-N 3.3Å; I4-K6 PolarHBondContact O-N 3.12Å; I4-F7 PolarHBondContact O-N 2.94Å; I4-Q8 PolarHBondContact O-N 2.85Å; I4-Q8 VanDerWaalsContact O-N 3.13Å |
| 5 | E | 68.4 | Low | 62 | Low | 114 Ų | 114 | 128.5 Ų | 128.5 | 53% | 0.533 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.3 | -35 | 177.8 | -165.6 | 179.3 | 170.7 | 0 | 0 | 112.3 | M1 E3 F7 Q8 K9 | M1-E5 PolarHBondContact O-N 3.34Å; E3-E5 VanDerWaalsContact C-N 3.34Å; E5-F7 VanDerWaalsContact C-N 3.35Å; E5-F7 PolarHBondContact O-N 3.27Å; E5-Q8 PolarHBondContact O-N 3.41Å; E5-K9 VanDerWaalsContact O-CB 3.31Å; E5-K9 WeakPolarHBondContact O-CB 2.95Å; E5-K9 PolarHBondContact O-N 3.26Å |
| 6 | K | 68.8 | Low | 62.4 | Low | 126 Ų | 126 | 131.2 Ų | 131.2 | 55% | 0.548 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 176.3 | -68.3 | 173.7 | -176.6 | -177.2 | 0 | 112.4 | H2 E3 I4 | H2-K6 WeakPolarHBondContact O-CG 3.48Å; E3-K6 PolarHBondContact O-N 2.97Å; I4-K6 VanDerWaalsContact C-N 3.3Å; I4-K6 PolarHBondContact O-N 3.12Å |
| 7 | F | 62.5 | Low | 63.5 | Low | 133 Ų | 133 | 131.7 Ų | 131.7 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.7 | -37.4 | 177.8 | -70.7 | -74.9 | 0 | 0 | 0 | 112.4 | E3 I4 E5 G10 | E3-F7 HydrophobicContact CG-CE2 4.32Å; E3-F7 WeakPolarHBondContact O-CD2 3.15Å; I4-F7 PolarHBondContact O-N 2.94Å; E5-F7 VanDerWaalsContact C-N 3.35Å; E5-F7 PolarHBondContact O-N 3.27Å; F7-G10 PolarHBondContact O-N 2.87Å |
| 8 | Q | 64.1 | Low | 64.8 | Low | 162 Ų | 162 | 133.3 Ų | 133.3 | 76% | 0.757 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75 | -26.2 | 179.7 | -73.4 | -179 | -16.1 | 0 | 0 | 113.6 | I4 E5 G10 | I4-Q8 PolarHBondContact O-N 2.85Å; I4-Q8 VanDerWaalsContact O-N 3.13Å; E5-Q8 PolarHBondContact O-N 3.41Å; Q8-G10 PolarHBondContact O-N 3.42Å |
| 9 | K | 64.1 | Low | 66.1 | Low | 155 Ų | 155 | 132.3 Ų | 132.3 | 67% | 0.674 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -0.2 | 176.8 | -159 | 174.7 | -179.9 | -172.8 | 0 | 113.6 | E5 E11 | E5-K9 VanDerWaalsContact O-CB 3.31Å; E5-K9 WeakPolarHBondContact O-CB 2.95Å; E5-K9 PolarHBondContact O-N 3.26Å; K9-E11 PolarHBondContact O-N 3.49Å |
| 10 | G | 53.1 | Low | 67.4 | Low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.9 | 17.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F7 Q8 G12 | F7-G10 PolarHBondContact O-N 2.87Å; Q8-G10 PolarHBondContact O-N 3.42Å; G10-G12 PolarHBondContact O-N 3.12Å |
| 11 | E | 54.6 | Low | 68.5 | Low | 119 Ų | 119 | 129.9 Ų | 129.9 | 56% | 0.556 | 64% | 0.64 | S | S | * | * | | | trans | -75.1 | 33.2 | 167.3 | -70.5 | -169 | 139 | 0 | 0 | 111.6 | K9 K13 | K9-E11 PolarHBondContact O-N 3.49Å; E11-K13 PolarHBondContact O-N 3.44Å |
| 12 | G | 54 | Low | 70.2 | Confident | 43 Ų | 43 | 126.9 Ų | 126.9 | 44% | 0.443 | 63% | 0.632 | S | S | . | * | | | trans | -75.7 | 66.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G10 D14 | G10-G12 PolarHBondContact O-N 3.12Å; G12-D14 PolarHBondContact O-N 3.33Å |
| 13 | K | 57.3 | Low | 71.5 | Confident | 159 Ų | 159 | 123.4 Ų | 123.4 | 69% | 0.691 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 12.3 | 170.7 | -69.7 | -175.1 | 177.9 | 174.2 | 0 | 112.9 | E11 E15 K17 | E11-K13 PolarHBondContact O-N 3.44Å; K13-E15 VanDerWaalsContact C-N 3.32Å; K13-K17 PolarHBondContact O-N 3.17Å |
| 14 | D | 58.3 | Low | 72.6 | Confident | 81 Ų | 81 | 124.3 Ų | 124.3 | 43% | 0.433 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.1 | -26.7 | -177.4 | -66.9 | -38.2 | 0 | 0 | 0 | 112 | G12 K17 Y18 | G12-D14 PolarHBondContact O-N 3.33Å; D14-K17 WeakPolarHBondContact O-CB 3.34Å; D14-K17 PolarHBondContact O-N 3.41Å; D14-Y18 WeakPolarHBondContact O-CD2 3.35Å |
| 15 | E | 59.1 | Low | 73.6 | Confident | 180 Ų | 180 | 126.2 Ų | 126.2 | 84% | 0.841 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.1 | -35.7 | 177.8 | -65.3 | -175.1 | -175 | 0 | 0 | 112.8 | K13 K17 | K13-E15 VanDerWaalsContact C-N 3.32Å; E15-K17 VanDerWaalsContact C-N 3.31Å |
| 16 | E | 67.6 | Low | 74.6 | Confident | 172 Ų | 172 | 128.7 Ų | 128.7 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -81.9 | -12.2 | 176.7 | -65.2 | -176.7 | 175.1 | 0 | 0 | 112.9 | Y18 | E16-Y18 VanDerWaalsContact C-N 3.32Å |
| 17 | K | 82.4 | Confident | 75.6 | Confident | 140 Ų | 140 | 128.2 Ų | 128.2 | 61% | 0.609 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.8 | -28.1 | 179.4 | -171.5 | -176.9 | 178.6 | -173.7 | 0 | 112 | K13 D14 E15 | K13-K17 PolarHBondContact O-N 3.17Å; D14-K17 WeakPolarHBondContact O-CB 3.34Å; D14-K17 PolarHBondContact O-N 3.41Å; E15-K17 VanDerWaalsContact C-N 3.31Å |
| 18 | Y | 86.4 | Confident | 77.1 | Confident | 161 Ų | 161 | 131.8 Ų | 131.8 | 63% | 0.631 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -113.8 | 140.2 | -177.1 | -60.1 | -75.9 | 0 | 0 | 0 | 111.3 | D14 E16 | D14-Y18 WeakPolarHBondContact O-CD2 3.35Å; E16-Y18 VanDerWaalsContact C-N 3.32Å |
| 19 | I | 90.2 | Very high | 78.5 | Confident | 113 Ų | 113 | 132 Ų | 132 | 58% | 0.579 | 67% | 0.67 | S | S | * | * | | | trans | -87.1 | 120.7 | 175.7 | -51 | 175.1 | 0 | 0 | 0 | 107.8 | V21 M27 | I19-V21 HydrophobicContact CG2-CG1 4.49Å; I19-V21 PolarHBondContact O-N 3.36Å; I19-M27 HydrophobicContact CB-SD 4.23Å; I19-M27 HydrophobicContact CD1-CE 3.66Å; I19-M27 HydrophobicContact CD1-SD 4.11Å; I19-M27 HydrophobicContact CG1-CE 3.86Å; I19-M27 HydrophobicContact CG1-SD 3.61Å; I19-M27 HydrophobicContact CG2-CE 4.03Å; I19-M27 HydrophobicContact CG2-SD 3.95Å |
| 20 | D | 91.4 | Very high | 79.9 | Confident | 81 Ų | 81 | 128.2 Ų | 128.2 | 43% | 0.433 | 68% | 0.676 | S | S | . | * | | | trans | -77.1 | 104.9 | 164.9 | -175 | -17.6 | 0 | 0 | 0 | 109.1 | V22 I23 | D20-V22 VanDerWaalsContact C-N 3.25Å; D20-V22 PolarHBondContact O-N 2.99Å; D20-V22 WeakPolarHBondContact OD1-CB 3.46Å; D20-V22 PolarHBondContact OD1-N 3.14Å; D20-I23 PolarHBondContact O-N 3.41Å; D20-I23 PolarHBondContact OD1-N 3.26Å; D20-I23 WeakPolarHBondContact OD2-CD1 3.2Å; D20-I23 WeakPolarHBondContact OD2-CG1 3.31Å |
| 21 | V | 91 | Very high | 82.1 | Confident | 134 Ų | 134 | 133.2 Ų | 133.2 | 81% | 0.812 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -75 | -13 | -176.7 | -61.7 | 0 | 0 | 0 | 0 | 113.8 | I19 | I19-V21 HydrophobicContact CG2-CG1 4.49Å; I19-V21 PolarHBondContact O-N 3.36Å |
| 22 | V | 96.1 | Very high | 84.1 | Confident | 131 Ų | 131 | 136.9 Ų | 136.9 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -82.9 | -34.2 | 177.9 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | D20 | D20-V22 VanDerWaalsContact C-N 3.25Å; D20-V22 PolarHBondContact O-N 2.99Å; D20-V22 WeakPolarHBondContact OD1-CB 3.46Å; D20-V22 PolarHBondContact OD1-N 3.14Å |
| 23 | I | 93 | Very high | 86.1 | Confident | 79 Ų | 79 | 140.8 Ų | 140.8 | 41% | 0.405 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -99.7 | 122.4 | -178.7 | -51.2 | 178.5 | 0 | 0 | 0 | 110.2 | D20 K25 | D20-I23 PolarHBondContact O-N 3.41Å; D20-I23 PolarHBondContact OD1-N 3.26Å; D20-I23 WeakPolarHBondContact OD2-CD1 3.2Å; D20-I23 WeakPolarHBondContact OD2-CG1 3.31Å; I23-K25 HydrophobicContact CB-CD 4.4Å; I23-K25 HydrophobicContact CG2-CD 3.82Å; I23-K25 HydrophobicContact CG2-CG 3.78Å; I23-K25 PolarHBondContact O-N 3.49Å |
| 24 | N | 92.3 | Very high | 88 | Confident | 162 Ų | 162 | 140.9 Ų | 140.9 | 87% | 0.866 | 72% | 0.719 | S | S | * | * | | | trans | -78.7 | 87.1 | 174.4 | -169.8 | 22 | 0 | 0 | 0 | 111.3 | | |
| 25 | K | 91.3 | Very high | 89.9 | Confident | 142 Ų | 142 | 143.3 Ų | 143.3 | 62% | 0.617 | 73% | 0.73 | S | S | * | * | | | trans | -109.4 | 142.4 | 175.2 | -80.9 | 163.6 | 172.9 | 174.6 | 0 | 110.6 | I23 | I23-K25 HydrophobicContact CB-CD 4.4Å; I23-K25 HydrophobicContact CG2-CD 3.82Å; I23-K25 HydrophobicContact CG2-CG 3.78Å; I23-K25 PolarHBondContact O-N 3.49Å |
| 26 | N | 89.1 | Confident | 91.6 | Very high | 166 Ų | 166 | 137.5 Ų | 137.5 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | | | trans | -69 | 146.3 | 172.5 | -69.6 | -23 | 0 | 0 | 0 | 110.8 | | |
| 27 | M | 90.9 | Very high | 92.9 | Very high | 115 Ų | 115 | 133.7 Ų | 133.7 | 57% | 0.567 | 70% | 0.696 | S | S | * | * | | | trans | -133 | 149.7 | 177.3 | -62.3 | -177.9 | -57.7 | 0 | 0 | 111.1 | I19 | I19-M27 HydrophobicContact CB-SD 4.23Å; I19-M27 HydrophobicContact CD1-CE 3.66Å; I19-M27 HydrophobicContact CD1-SD 4.11Å; I19-M27 HydrophobicContact CG1-CE 3.86Å; I19-M27 HydrophobicContact CG1-SD 3.61Å; I19-M27 HydrophobicContact CG2-CE 4.03Å; I19-M27 HydrophobicContact CG2-SD 3.95Å |
| 28 | K | 91.9 | Very high | 93.3 | Very high | 208 Ų | 208 | 137.1 Ų | 137.1 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | | | trans | -91.9 | 123.4 | 178.8 | -172.6 | 173.1 | -178.1 | 175.1 | 0 | 110.5 | | |
| 29 | L | 94.1 | Very high | 93.6 | Very high | 166 Ų | 166 | 136.5 Ų | 136.5 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | | | trans | -109.1 | 143 | 173.7 | -63.2 | 173.1 | 0 | 0 | 0 | 110 | | |
| 30 | G | 94.9 | Very high | 93.6 | Very high | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | | | trans | -144.8 | 123.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 31 | Q | 97.4 | Very high | 93.4 | Very high | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | | | trans | -117.4 | 129.4 | 175.3 | -179.8 | 61.9 | 37.3 | 0 | 0 | 109 | V33 | Q31-V33 HydrophobicContact CG-CG2 4.41Š|
| 32 | K | 97.8 | Very high | 93 | Very high | 195 Ų | 195 | 140.3 Ų | 140.3 | 85% | 0.848 | 72% | 0.721 | S | S | * | * | | | trans | -92.9 | 134.8 | 170.8 | -65.1 | -178.4 | 179.4 | 179.6 | 0 | 108.9 | | |
| 33 | V | 96.6 | Very high | 92.2 | Very high | 126 Ų | 126 | 141.2 Ų | 141.2 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | | | trans | -117.9 | 129.6 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | Q31 | Q31-V33 HydrophobicContact CG-CG2 4.41Š|
| 34 | L | 97.3 | Very high | 90.8 | Very high | 161 Ų | 161 | 147.7 Ų | 147.7 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | | | trans | -84.4 | 127.5 | 179.3 | -176 | 66 | 0 | 0 | 0 | 109.9 | | |
| 35 | I | 96.4 | Very high | 89.7 | Confident | 131 Ų | 131 | 147.1 Ų | 147.1 | 67% | 0.672 | 74% | 0.739 | S | S | * | * | | | trans | -81.2 | 126.8 | 172.6 | -56.1 | 174.9 | 0 | 0 | 0 | 108.1 | V37 | I35-V37 HydrophobicContact CB-CG2 4.18Å; I35-V37 HydrophobicContact CG2-CG2 3.72Å; I35-V37 PolarHBondContact O-N 3.39Å |
| 36 | P | 95.4 | Very high | 88.4 | Confident | 58 Ų | 58 | 146.1 Ų | 146.1 | 38% | 0.377 | 74% | 0.741 | S | S | . | * | | | trans | -80.2 | 48.9 | -171.8 | 34.2 | -37.9 | 0 | 0 | 0 | 113.1 | K38 Q39 F40 | P36-K38 PolarHBondContact O-N 3.17Å; P36-K38 VanDerWaalsContact O-N 3.12Å; P36-Q39 HydrophobicContact CB-CB 4.32Å; P36-Q39 PolarHBondContact O-N 2.95Å; P36-F40 HydrophobicContact CB-CD2 4.12Å; P36-F40 HydrophobicContact CB-CE2 4.44Å; P36-F40 HydrophobicContact CG-CD2 3.89Å; P36-F40 HydrophobicContact CG-CE2 4.26Å; P36-F40 PolarHBondContact O-N 3.3Å |
| 37 | V | 94.9 | Very high | 87.3 | Confident | 93 Ų | 93 | 141.1 Ų | 141.1 | 56% | 0.564 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -30.1 | -177.5 | -172.3 | 0 | 0 | 0 | 0 | 112 | I35 F40 P41 | I35-V37 HydrophobicContact CB-CG2 4.18Å; I35-V37 HydrophobicContact CG2-CG2 3.72Å; I35-V37 PolarHBondContact O-N 3.39Å; V37-F40 CarbonylContact O-C 3.24Å; V37-F40 VanDerWaalsContact O-C 3.24Å; V37-P41 WeakPolarHBondContact O-CA 3.43Å; V37-P41 VanDerWaalsContact O-N 3.16Å |
| 38 | K | 91.2 | Very high | 85.9 | Confident | 212 Ų | 212 | 145.2 Ų | 145.2 | 92% | 0.922 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -29.2 | 175.9 | -68.8 | -174.2 | 178.8 | -176.9 | 0 | 113.8 | P36 | P36-K38 PolarHBondContact O-N 3.17Å; P36-K38 VanDerWaalsContact O-N 3.12Å |
| 39 | Q | 92.8 | Very high | 84.5 | Confident | 148 Ų | 148 | 138.5 Ų | 138.5 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -31.9 | 177.2 | -67.8 | 175.7 | -6.1 | 0 | 0 | 111.1 | P36 | P36-Q39 HydrophobicContact CB-CB 4.32Å; P36-Q39 PolarHBondContact O-N 2.95Å |
| 40 | F | 89.8 | Confident | 82.7 | Confident | 144 Ų | 144 | 136.6 Ų | 136.6 | 63% | 0.632 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -127.2 | 76.1 | -179.4 | -54.8 | -77.3 | 0 | 0 | 0 | 110.1 | P36 V37 | P36-F40 HydrophobicContact CB-CD2 4.12Å; P36-F40 HydrophobicContact CB-CE2 4.44Å; P36-F40 HydrophobicContact CG-CD2 3.89Å; P36-F40 HydrophobicContact CG-CE2 4.26Å; P36-F40 PolarHBondContact O-N 3.3Å; V37-F40 CarbonylContact O-C 3.24Å; V37-F40 VanDerWaalsContact O-C 3.24Å |
| 41 | P | 87.4 | Confident | 81 | Confident | 89 Ų | 89 | 137.2 Ų | 137.2 | 58% | 0.578 | 72% | 0.722 | S | S | * | * | | | trans | -62.6 | 143.5 | 171.4 | 25.1 | -30.9 | 0 | 0 | 0 | 109.9 | V37 | V37-P41 WeakPolarHBondContact O-CA 3.43Å; V37-P41 VanDerWaalsContact O-N 3.16Å |
| 42 | K | 81.8 | Confident | 79.1 | Confident | 174 Ų | 174 | 139.6 Ų | 139.6 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | | | trans | -107.1 | 112.6 | 168.5 | -66.3 | -139.5 | -179.2 | -171 | 0 | 107.7 | Y44 | K42-Y44 PolarHBondContact O-N 3.49Š|
| 43 | D | 79.1 | Confident | 77.4 | Confident | 150 Ų | 150 | 137.1 Ų | 137.1 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | | | trans | -78.4 | 114.6 | 171.6 | -58.8 | -36.3 | 0 | 0 | 0 | 107.6 | D45 | D43-D45 PolarHBondContact O-N 3.3Š|
| 44 | Y | 65.5 | Low | 75.6 | Confident | 215 Ų | 215 | 140 Ų | 140 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | | | trans | -83.5 | 86.9 | 167.6 | -76.3 | -91.1 | 0 | 0 | 0 | 107.3 | K42 | K42-Y44 PolarHBondContact O-N 3.49Š|
| 45 | D | 67.9 | Low | 73.6 | Confident | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | | | trans | -103.9 | 88.3 | 164.7 | -176.7 | 23.1 | 0 | 0 | 0 | 107.3 | D43 | D43-D45 PolarHBondContact O-N 3.3Š|
| 46 | D | 64.9 | Low | 72 | Confident | 121 Ų | 121 | 139.3 Ų | 139.3 | 65% | 0.647 | 72% | 0.724 | S | S | * | * | | | trans | -89.9 | 0.5 | 178.8 | 64.5 | 0.1 | 0 | 0 | 0 | 113 | Y48 | D46-Y48 HydrophobicContact CB-CD2 4.43Å; D46-Y48 WeakPolarHBondContact O-CD2 3.34Å; D46-Y48 PolarHBondContact O-N 2.9Å |
| 47 | G | 65.8 | Low | 70.1 | Confident | 62 Ų | 62 | 146.4 Ų | 146.4 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | | | trans | 60.6 | 6.9 | 168 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 48 | Y | 61.4 | Low | 68.4 | Low | 201 Ų | 201 | 149.6 Ų | 149.6 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | | | trans | -93.7 | 10.5 | -173.7 | -83.5 | -74.4 | 0 | 0 | 0 | 114.2 | D46 | D46-Y48 HydrophobicContact CB-CD2 4.43Å; D46-Y48 WeakPolarHBondContact O-CD2 3.34Å; D46-Y48 PolarHBondContact O-N 2.9Å |
| 49 | G | 61.4 | Low | 66.8 | Low | 66 Ų | 66 | 144.3 Ų | 144.3 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -88.8 | -10.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 50 | T | 56.8 | Low | 65 | Low | 127 Ų | 127 | 146 Ų | 146 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -125.8 | 1.6 | -167.4 | 70.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 51 | A | 58.4 | Low | 63.7 | Low | 90 Ų | 90 | 146.7 Ų | 146.7 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -85.5 | -6.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 52 | Y | 59.4 | Low | 62.5 | Low | 219 Ų | 219 | 149.9 Ų | 149.9 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -113.6 | 6.8 | -164.3 | -100.2 | -77.9 | 0 | 0 | 0 | 116.7 | | |
| 53 | D | 60.9 | Low | 61.4 | Low | 142 Ų | 142 | 145.9 Ų | 145.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -104.1 | -12.4 | -167 | -83 | -27.8 | 0 | 0 | 0 | 118.9 | | |
| 54 | E | 58.1 | Low | 59.9 | Low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -143 | -6.7 | -164.2 | -95.2 | -171.8 | 166.4 | 0 | 0 | 122.2 | | |
| 55 | Q | 57.2 | Low | 59.6 | Low | 202 Ų | 202 | 145.2 Ų | 145.2 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -102.6 | -5 | -172.4 | -80.2 | -158.7 | -8.8 | 0 | 0 | 117.7 | | |
| 56 | S | 61.1 | Low | 58.7 | Low | 76 Ų | 76 | 144 Ų | 144 | 53% | 0.531 | 77% | 0.768 | S | S | . | * | S | Bend | trans | -106.6 | -17.2 | -164.4 | -162.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 57 | Y | 56.3 | Low | 57.9 | Low | 207 Ų | 207 | 144.5 Ų | 144.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -91.5 | -18.6 | -167.5 | -86.3 | -78.6 | 0 | 0 | 0 | 116 | S59 | Y57-S59 VanDerWaalsContact C-N 3.34Å; Y57-S59 PolarHBondContact O-N 2.96Å |
| 58 | D | 58.5 | Low | 57.1 | Low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -81.7 | -9.5 | -176 | -67.8 | -26.7 | 0 | 0 | 0 | 114.2 | | |
| 59 | S | 58.9 | Low | 56.6 | Low | 101 Ų | 101 | 144.6 Ų | 144.6 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -87.4 | -5.4 | -171.7 | -167.5 | 0 | 0 | 0 | 0 | 114.9 | Y57 | Y57-S59 VanDerWaalsContact C-N 3.34Å; Y57-S59 PolarHBondContact O-N 2.96Å |
| 60 | Y | 55.1 | Low | 56.4 | Low | 182 Ų | 182 | 147 Ų | 147 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -84.2 | -10.1 | -170.9 | -74.5 | -75.9 | 0 | 0 | 0 | 115.4 | N62 | Y60-N62 PolarHBondContact O-N 3.35Š|
| 61 | D | 62.7 | Low | 55.9 | Low | 159 Ų | 159 | 144.2 Ų | 144.2 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -82.1 | -11.6 | -174.3 | -164.1 | 31.8 | 0 | 0 | 0 | 114.1 | | |
| 62 | N | 61.8 | Low | 55.7 | Low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -111.4 | 13.8 | -159.8 | -152.4 | 45.4 | 0 | 0 | 0 | 117.3 | Y60 | Y60-N62 PolarHBondContact O-N 3.35Š|
| 63 | S | 58.6 | Low | 55.2 | Low | 91 Ų | 91 | 140.4 Ų | 140.4 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | trans | -148.1 | 52.1 | -173.9 | -171.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 64 | Y | 48 | Very low | 54.6 | Low | 241 Ų | 241 | 144.3 Ų | 144.3 | 95% | 0.945 | 79% | 0.788 | S | S | * | * | | | trans | -109.8 | 49.5 | 156.1 | -106.8 | -82.7 | 0 | 0 | 0 | 111.6 | | |
| 65 | S | 57.6 | Low | 54.5 | Low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -142.2 | 63.7 | 164.5 | -75.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 66 | T | 50.3 | Low | 54.7 | Low | 126 Ų | 126 | 141.4 Ų | 141.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | 176.7 | 136.3 | 145.5 | 39.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 67 | P | 48.7 | Very low | 54.6 | Low | 130 Ų | 130 | 146.4 Ų | 146.4 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | | | trans | -101 | 123 | 173.9 | 33.6 | -25.9 | 0 | 0 | 0 | 113.1 | | |
| 68 | A | 48.1 | Very low | 54.9 | Low | 90 Ų | 90 | 139.4 Ų | 139.4 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | 171.5 | 149.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 69 | Q | 51.2 | Low | 54.7 | Low | 176 Ų | 176 | 139.9 Ų | 139.9 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | cis | -168.7 | 146.8 | -6 | -111 | 175.7 | -58.5 | 0 | 0 | 105 | | |
| 70 | S | 57.4 | Low | 54.5 | Low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | 44 | 123.8 | 149.1 | 62.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 71 | G | 46.5 | Very low | 54.4 | Low | 69 Ų | 69 | 138.2 Ų | 138.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -145.6 | 80.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D73 | G71-D73 PolarHBondContact O-N 3.13Š|
| 72 | A | 53 | Low | 53.9 | Low | 97 Ų | 97 | 135.3 Ų | 135.3 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -79.7 | 23.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y74 | A72-Y74 PolarHBondContact O-N 3.36Š|
| 73 | D | 49.1 | Very low | 53.6 | Low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -106.4 | 42.9 | -166.9 | -54.3 | -43.1 | 0 | 0 | 0 | 112.6 | G71 Y75 | G71-D73 PolarHBondContact O-N 3.13Å; D73-Y75 PolarHBondContact O-N 3.5Å |
| 74 | Y | 48.8 | Very low | 53.5 | Low | 224 Ų | 224 | 140.6 Ų | 140.6 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | | | trans | -83.6 | 94.7 | 175.4 | -165.1 | -96.3 | 0 | 0 | 0 | 109.5 | A72 D76 | A72-Y74 PolarHBondContact O-N 3.36Å; Y74-D76 PolarHBondContact O-N 3.28Å |
| 75 | Y | 54.9 | Low | 54.2 | Low | 179 Ų | 179 | 134.4 Ų | 134.4 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | | | trans | -63 | 125.1 | -177.9 | -76.6 | -88.5 | 0 | 0 | 0 | 112.8 | D73 Y77 | D73-Y75 PolarHBondContact O-N 3.5Å; Y75-Y77 HydrophobicContact CG-CE2 4.44Å |
| 76 | D | 61.4 | Low | 54.2 | Low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -83.5 | 116.8 | 170.8 | 175.3 | 21.8 | 0 | 0 | 0 | 110.1 | Y74 | Y74-D76 PolarHBondContact O-N 3.28Š|
| 77 | Y | 60 | Low | 55 | Low | 182 Ų | 182 | 138.7 Ų | 138.7 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | trans | -118.1 | 73.4 | 174.8 | -81.4 | -80.8 | 0 | 0 | 0 | 110.4 | Y75 | Y75-Y77 HydrophobicContact CG-CE2 4.44Š|
| 78 | G | 61.6 | Low | 55.9 | Low | 60 Ų | 60 | 137.5 Ų | 137.5 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | | | trans | -85.2 | 101.5 | 160 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 79 | H | 55.2 | Low | 56.4 | Low | 169 Ų | 169 | 142.8 Ų | 142.8 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | | | trans | -136.9 | 125.9 | 161.7 | -61.4 | -64.4 | 0 | 0 | 0 | 106.6 | | |
| 80 | G | 54.5 | Low | 57.3 | Low | 68 Ų | 68 | 137.6 Ų | 137.6 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | cis | 144.2 | 123.5 | 22.3 | 0 | 0 | 0 | 0 | 0 | 104.6 | S82 | G80-S82 PolarHBondContact O-N 3.45Š|
| 81 | L | 52.8 | Low | 57.3 | Low | 181 Ų | 181 | 140.8 Ų | 140.8 | 95% | 0.948 | 76% | 0.758 | S | S | * | * | | | trans | -52.5 | 112.9 | -173.3 | -60 | 159.7 | 0 | 0 | 0 | 112 | | |
| 82 | S | 52.9 | Low | 57.8 | Low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | trans | -130.4 | 89.3 | 154.9 | 66.3 | 0 | 0 | 0 | 0 | 108.3 | G80 E84 | G80-S82 PolarHBondContact O-N 3.45Å; S82-E84 PolarHBondContact O-N 3.2Å |
| 83 | E | 54.6 | Low | 58.3 | Low | 180 Ų | 180 | 147.8 Ų | 147.8 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | | | trans | -65.3 | 85.6 | 162.4 | -78 | 177.5 | 140.9 | 0 | 0 | 108 | T85 | E83-T85 PolarHBondContact O-N 2.97Š|
| 84 | E | 57.8 | Low | 58.8 | Low | 179 Ų | 179 | 151.8 Ų | 151.8 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | trans | -72.4 | 86.1 | 158.2 | -61.7 | -152 | 161.6 | 0 | 0 | 106.7 | S82 Y86 | S82-E84 PolarHBondContact O-N 3.2Å; E84-Y86 PolarHBondContact O-N 3.29Å |
| 85 | T | 61.3 | Low | 59.2 | Low | 111 Ų | 111 | 145.6 Ų | 145.6 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | | | trans | -59.8 | 105.2 | 172 | -63.7 | 0 | 0 | 0 | 0 | 107.1 | E83 D87 | E83-T85 PolarHBondContact O-N 2.97Å; T85-D87 PolarHBondContact O-N 3.38Å; T85-D87 VanDerWaalsContact O-N 3.11Å |
| 86 | Y | 58.2 | Low | 59.7 | Low | 188 Ų | 188 | 143.2 Ų | 143.2 | 74% | 0.737 | 75% | 0.747 | S | S | * | * | | | trans | -62.2 | 109.2 | 179.8 | -171.5 | -94.3 | 0 | 0 | 0 | 109.7 | E84 S88 | E84-Y86 PolarHBondContact O-N 3.29Å; Y86-S88 PolarHBondContact O-N 2.97Å; Y86-S88 VanDerWaalsContact O-N 3.1Å |
| 87 | D | 66.7 | Low | 59.5 | Low | 136 Ų | 136 | 141.2 Ų | 141.2 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | -67.3 | 109.9 | 171.5 | -82.4 | -33.4 | 0 | 0 | 0 | 109.1 | T85 Y89 | T85-D87 PolarHBondContact O-N 3.38Å; T85-D87 VanDerWaalsContact O-N 3.11Å; D87-Y89 WeakPolarHBondContact O-CD2 3.15Å; D87-Y89 PolarHBondContact O-N 3.38Å |
| 88 | S | 68.1 | Low | 59.7 | Low | 105 Ų | 105 | 142.9 Ų | 142.9 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | trans | -67 | 104.2 | 176 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | Y86 G90 | Y86-S88 PolarHBondContact O-N 2.97Å; Y86-S88 VanDerWaalsContact O-N 3.1Å; S88-G90 PolarHBondContact O-N 3.3Å |
| 89 | Y | 58.6 | Low | 59.3 | Low | 201 Ų | 201 | 148.1 Ų | 148.1 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | | | trans | -54.6 | 109.7 | 174.1 | -65.7 | -90.3 | 0 | 0 | 0 | 110.1 | D87 | D87-Y89 WeakPolarHBondContact O-CD2 3.15Å; D87-Y89 PolarHBondContact O-N 3.38Å |
| 90 | G | 69.3 | Low | 59.9 | Low | 67 Ų | 67 | 150.2 Ų | 150.2 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | | | trans | -62.4 | 150.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S88 E92 | S88-G90 PolarHBondContact O-N 3.3Å; G90-E92 PolarHBondContact O-N 3.07Å; G90-E92 VanDerWaalsContact O-N 3.09Å |
| 91 | Q | 57.6 | Low | 60 | Low | 183 Ų | 183 | 151 Ų | 151 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | | | trans | -50.1 | 111.4 | 178.9 | -67.4 | -83.6 | -20.4 | 0 | 0 | 111.1 | E93 | Q91-E93 PolarHBondContact O-N 2.88Š|
| 92 | E | 58.3 | Low | 60.3 | Low | 159 Ų | 159 | 148.1 Ų | 148.1 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | -66.3 | 122.4 | 171.4 | 51.9 | -173.3 | 172.9 | 0 | 0 | 110.2 | G90 W94 | G90-E92 PolarHBondContact O-N 3.07Å; G90-E92 VanDerWaalsContact O-N 3.09Å; E92-W94 VanDerWaalsContact O-CD1 3.26Å; E92-W94 PolarHBondContact O-N 3.35Å |
| 93 | E | 63 | Low | 60.6 | Low | 154 Ų | 154 | 148.8 Ų | 148.8 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | -79.7 | 59.8 | -177.6 | -69.4 | 148.4 | 170.4 | 0 | 0 | 111.1 | Q91 T95 N96 | Q91-E93 PolarHBondContact O-N 2.88Å; E93-T95 PolarHBondContact O-N 3.09Å; E93-N96 PolarHBondContact O-N 3.06Å |
| 94 | W | 59.6 | Low | 60.9 | Low | 216 Ų | 216 | 145 Ų | 145 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -11.1 | -179.7 | 64.7 | -91.1 | 0 | 0 | 0 | 113.7 | E92 | E92-W94 VanDerWaalsContact O-CD1 3.26Å; E92-W94 PolarHBondContact O-N 3.35Å |
| 95 | T | 56.4 | Low | 61 | Low | 95 Ų | 95 | 147.3 Ų | 147.3 | 58% | 0.583 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 2.7 | -179.3 | 63 | 0 | 0 | 0 | 0 | 114.4 | E93 | E93-T95 PolarHBondContact O-N 3.09Š|
| 96 | N | 65.2 | Low | 60.7 | Low | 129 Ų | 129 | 149.1 Ų | 149.1 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | | | trans | -105.4 | 67.2 | -178.1 | -80.3 | -55.4 | 0 | 0 | 0 | 112.8 | E93 | E93-N96 PolarHBondContact O-N 3.06Š|
| 97 | S | 57.9 | Low | 60.4 | Low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | -154.5 | 135 | 148.2 | -157.9 | 0 | 0 | 0 | 0 | 113 | | |
| 98 | R | 63.3 | Low | 59.9 | Low | 217 Ų | 217 | 146.6 Ų | 146.6 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | | | trans | -52.6 | 152.6 | 175.9 | -64.8 | 153.8 | -162.2 | 175 | 5.6 | 108.8 | | |
| 99 | H | 55.1 | Low | 59.4 | Low | 169 Ų | 169 | 145.2 Ų | 145.2 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | | | | -167.2 | 124.7 | 77 | -62.3 | -70 | 0 | 0 | 0 | 108.8 | A101 | H99-A101 PolarHBondContact O-N 3.11Š|
| 100 | K | 66.1 | Low | 59.3 | Low | 214 Ų | 214 | 142.3 Ų | 142.3 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 121.8 | 171.6 | -168.9 | 166.6 | -179.5 | -171.3 | 0 | 109 | | |
| 101 | A | 58.3 | Low | 58.6 | Low | 83 Ų | 83 | 148.4 Ų | 148.4 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 143.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H99 | H99-A101 PolarHBondContact O-N 3.11Š|
| 102 | P | 57.3 | Low | 58.9 | Low | 121 Ų | 121 | 150.6 Ų | 150.6 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 141 | 177.5 | 26.2 | -31.7 | 0 | 0 | 0 | 110.1 | A104 | P102-A104 PolarHBondContact O-N 2.97Å; P102-A104 VanDerWaalsContact O-N 3.14Å |
| 103 | S | 61 | Low | 59.4 | Low | 111 Ų | 111 | 149.1 Ų | 149.1 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 116.4 | -178.1 | -172.6 | 0 | 0 | 0 | 0 | 111 | R105 | S103-R105 PolarHBondContact O-N 2.93Š|
| 104 | A | 59 | Low | 59.9 | Low | 100 Ų | 100 | 149.4 Ų | 149.4 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | trans | -74.8 | 90 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P102 | P102-A104 PolarHBondContact O-N 2.97Å; P102-A104 VanDerWaalsContact O-N 3.14Å |
| 105 | R | 61.2 | Low | 60.5 | Low | 229 Ų | 229 | 144.3 Ų | 144.3 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | -140.6 | 93.5 | 161.2 | -61.4 | -169.9 | 102.3 | 174.5 | 5.7 | 110.4 | S103 | S103-R105 PolarHBondContact O-N 2.93Š|
| 106 | T | 53.7 | Low | 60.8 | Low | 148 Ų | 148 | 149.9 Ų | 149.9 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | | | trans | -113 | 117 | 158.4 | -18.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 107 | A | 53.4 | Low | 60.5 | Low | 71 Ų | 71 | 147.4 Ų | 147.4 | 59% | 0.587 | 79% | 0.791 | S | S | * | * | | | trans | -73.4 | 145.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 108 | K | 55 | Low | 60.8 | Low | 200 Ų | 200 | 154 Ų | 154 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 46.8 | 109.8 | 149.6 | 59.2 | -138.9 | 172 | 179.3 | 0 | 119.4 | | |
| 109 | G | 58.1 | Low | 60.4 | Low | 76 Ų | 76 | 158.4 Ų | 158.4 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | | | trans | 90.7 | 99.5 | 137.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 110 | V | 55.7 | Low | 60.6 | Low | 141 Ų | 141 | 157.9 Ų | 157.9 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | trans | -142.9 | 113.1 | 146.7 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | R112 | V110-R112 PolarHBondContact O-N 3.2Š|
| 111 | Y | 56.4 | Low | 60.3 | Low | 195 Ų | 195 | 154.9 Ų | 154.9 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | | | trans | -44.4 | 115.2 | 170.4 | -172.5 | -107 | 0 | 0 | 0 | 110.6 | D113 | Y111-D113 WeakPolarHBondContact CE1-OD1 3.47Å; Y111-D113 PolarHBondContact O-N 3.1Å |
| 112 | R | 63.2 | Low | 60.5 | Low | 229 Ų | 229 | 158.9 Ų | 158.9 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | -80.6 | 104.5 | 168.3 | -99.5 | -85.1 | -173 | 142.6 | -0.4 | 106.8 | V110 Q114 | V110-R112 PolarHBondContact O-N 3.2Å; R112-Q114 PolarHBondContact O-N 3.02Å |
| 113 | D | 69.4 | Low | 60.6 | Low | 128 Ų | 128 | 161.1 Ų | 161.1 | 68% | 0.684 | 82% | 0.823 | S | S | * | * | | | trans | -53.9 | 126.5 | 169.9 | -88.5 | -49.8 | 0 | 0 | 0 | 110 | Y111 | Y111-D113 WeakPolarHBondContact CE1-OD1 3.47Å; Y111-D113 PolarHBondContact O-N 3.1Å |
| 114 | Q | 73.6 | Confident | 60.6 | Low | 160 Ų | 160 | 164.3 Ų | 164.3 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | | | trans | -81.7 | 133.6 | 177.1 | -71.4 | -81.2 | -27.6 | 0 | 0 | 108.9 | R112 Y116 | R112-Q114 PolarHBondContact O-N 3.02Å; Q114-Y116 PolarHBondContact O-N 2.91Å |
| 115 | P | 71.4 | Confident | 60.7 | Low | 108 Ų | 108 | 168.5 Ų | 168.5 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -74.5 | 6.2 | -168.3 | 29.6 | -35.3 | 0 | 0 | 0 | 115.6 | | |
| 116 | Y | 61.5 | Low | 60.7 | Low | 213 Ų | 213 | 164.2 Ų | 164.2 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | | | trans | -135.8 | 104.3 | 171.3 | -63.1 | -75.1 | 0 | 0 | 0 | 110.2 | Q114 | Q114-Y116 PolarHBondContact O-N 2.91Š|
| 117 | G | 59.3 | Low | 61.2 | Low | 77 Ų | 77 | 165.5 Ų | 165.5 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | -78.7 | 152.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 118 | R | 65.4 | Low | 61.9 | Low | 243 Ų | 243 | 173.3 Ų | 173.3 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | | | trans | -55.4 | 151.2 | -175.2 | -53.3 | -77.1 | -165.8 | -118.9 | -0.5 | 112.1 | | |
| 119 | Y | 53.7 | Low | 62.5 | Low | 310 Ų | 310 | 170.9 Ų | 170.9 | 100% | 1.216 | 83% | 0.833 | S | S | * | * | | | trans | -31.9 | 0 | 175.5 | -87.5 | -94.8 | 0 | 0 | 0 | 115.3 | | |