| 1 | M | 38.2 | Very low | 54.8 | Low | 223 Ų | 223 | 155.3 Ų | 155.3 | 100% | 1.099 | 81% | 0.812 | S | S | * | * | | | | 0 | 85 | 0 | -58.4 | -57 | -168.3 | 0 | 0 | 106.9 | | |
| 2 | S | 53.6 | Low | 55.2 | Low | 119 Ų | 119 | 156.5 Ų | 156.5 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -131.5 | 69.9 | 177.6 | 53.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 3 | E | 52.1 | Low | 54.9 | Low | 165 Ų | 165 | 156.4 Ų | 156.4 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | | | trans | -109.4 | 95.9 | 176.7 | -67.5 | 165 | 141.9 | 0 | 0 | 105.7 | | |
| 4 | T | 56.2 | Low | 55 | Low | 114 Ų | 114 | 153.1 Ų | 153.1 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | trans | -174.4 | 22.3 | 163.7 | 31 | 0 | 0 | 0 | 0 | 112.4 | S6 | T4-S6 VanDerWaalsContact C-N 3.3Š|
| 5 | E | 55.3 | Low | 55.4 | Low | 193 Ų | 193 | 153.4 Ų | 153.4 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | trans | -93 | 8.5 | 174 | -145.2 | 177.1 | 178.7 | 0 | 0 | 112.7 | | |
| 6 | S | 55.6 | Low | 55.8 | Low | 110 Ų | 110 | 154.6 Ų | 154.6 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -88.6 | 1.7 | -170.3 | -41.5 | 0 | 0 | 0 | 0 | 115 | T4 | T4-S6 VanDerWaalsContact C-N 3.3Š|
| 7 | E | 55.1 | Low | 56.2 | Low | 156 Ų | 156 | 153.4 Ų | 153.4 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | | | trans | -111.8 | 7.6 | -163.6 | -72.7 | 159.7 | 149.7 | 0 | 0 | 114.8 | | |
| 8 | A | 58.4 | Low | 56.6 | Low | 98 Ų | 98 | 154.3 Ų | 154.3 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -95.5 | 17.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E10 | A8-E10 VanDerWaalsContact C-N 3.26Å; A8-E10 PolarHBondContact O-N 3.22Å |
| 9 | Y | 57.4 | Low | 57.2 | Low | 200 Ų | 200 | 153.2 Ų | 153.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | -92.7 | 68.2 | 166.9 | -157.8 | -92.8 | 0 | 0 | 0 | 108.4 | Q11 | Y9-Q11 VanDerWaalsContact C-N 3.33Å; Y9-Q11 HydrophobicContact CD1-CG 4.1Å; Y9-Q11 HydrophobicContact CE1-CG 3.9Å; Y9-Q11 PolarHBondContact O-N 3.38Å |
| 10 | E | 59.8 | Low | 57.8 | Low | 159 Ų | 159 | 152.6 Ų | 152.6 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -61.1 | 104.9 | 161.4 | -65.1 | -160.8 | 160.7 | 0 | 0 | 106.1 | A8 E12 | A8-E10 VanDerWaalsContact C-N 3.26Å; A8-E10 PolarHBondContact O-N 3.22Å; E10-E12 PolarHBondContact O-N 2.78Å |
| 11 | Q | 60.8 | Low | 58.2 | Low | 171 Ų | 171 | 156.2 Ų | 156.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -61.2 | 84.3 | 160.7 | -92.1 | -178.5 | 19.9 | 0 | 0 | 106.4 | Y9 E13 | Y9-Q11 VanDerWaalsContact C-N 3.33Å; Y9-Q11 HydrophobicContact CD1-CG 4.1Å; Y9-Q11 HydrophobicContact CE1-CG 3.9Å; Y9-Q11 PolarHBondContact O-N 3.38Å; Q11-E13 PolarHBondContact O-N 3.06Å |
| 12 | E | 59.8 | Low | 59.6 | Low | 170 Ų | 170 | 153.6 Ų | 153.6 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -69.1 | 94.7 | 156 | -69.5 | -154.6 | 164.7 | 0 | 0 | 107 | E10 S14 | E10-E12 PolarHBondContact O-N 2.78Å; E12-S14 PolarHBondContact O-N 2.79Å |
| 13 | E | 51.9 | Low | 60 | Low | 155 Ų | 155 | 149.6 Ų | 149.6 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | | | trans | -28 | 106.1 | 148.3 | -173.9 | 177.1 | -154.6 | 0 | 0 | 111.2 | Q11 E15 | Q11-E13 PolarHBondContact O-N 3.06Å; E13-E15 HydrophobicContact CG-CG 4.15Å |
| 14 | S | 56.2 | Low | 60.5 | Low | 110 Ų | 110 | 147.6 Ų | 147.6 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | trans | -120.2 | 78.9 | 155.8 | 71.1 | 0 | 0 | 0 | 0 | 107.8 | E12 E16 | E12-S14 PolarHBondContact O-N 2.79Å; S14-E16 PolarHBondContact O-N 3.13Å; S14-E16 VanDerWaalsContact O-N 3.09Å |
| 15 | E | 60.8 | Low | 60.7 | Low | 158 Ų | 158 | 146.8 Ų | 146.8 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | trans | -76.6 | 65.5 | 168.5 | -72.7 | -177.5 | 161.2 | 0 | 0 | 109.6 | E13 | E13-E15 HydrophobicContact CG-CG 4.15Š|
| 16 | E | 61.2 | Low | 61 | Low | 173 Ų | 173 | 145 Ų | 145 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | | | trans | -164.1 | 29.7 | -178.8 | -111 | 155.2 | -135.9 | 0 | 0 | 113.8 | S14 E18 | S14-E16 PolarHBondContact O-N 3.13Å; S14-E16 VanDerWaalsContact O-N 3.09Å; E16-E18 PolarHBondContact O-N 3.09Å |
| 17 | D | 63.8 | Low | 61.2 | Low | 133 Ų | 133 | 143.9 Ų | 143.9 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | trans | -85.6 | 55 | 164.1 | -150.7 | 24.6 | 0 | 0 | 0 | 109.5 | D19 | D17-D19 PolarHBondContact O-N 3.31Š|
| 18 | E | 62 | Low | 61.5 | Low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | | | trans | -72.3 | 48.3 | 160.7 | -64.6 | -170.9 | 177.8 | 0 | 0 | 109.6 | E16 E20 | E16-E18 PolarHBondContact O-N 3.09Å; E18-E20 PolarHBondContact O-N 3.03Å |
| 19 | D | 68.7 | Low | 61.5 | Low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | | | trans | -66.7 | 44.2 | 158.7 | -91.4 | -1.4 | 0 | 0 | 0 | 109.4 | D17 W21 | D17-D19 PolarHBondContact O-N 3.31Å; D19-W21 PolarHBondContact O-N 3.15Å |
| 20 | E | 69.1 | Low | 62 | Low | 140 Ų | 140 | 135.5 Ų | 135.5 | 65% | 0.654 | 72% | 0.72 | S | S | * | * | | | trans | -60.4 | 77.2 | 158.3 | -175.9 | 85.8 | -137.8 | 0 | 0 | 105.7 | E18 K22 | E18-E20 PolarHBondContact O-N 3.03Å; E20-K22 PolarHBondContact O-N 3.18Å |
| 21 | W | 66.1 | Low | 62.3 | Low | 230 Ų | 230 | 133.9 Ų | 133.9 | 87% | 0.871 | 71% | 0.711 | S | S | * | * | | | trans | -52 | 105.1 | 178.7 | -174.7 | 59.3 | 0 | 0 | 0 | 106.3 | D19 G23 | D19-W21 PolarHBondContact O-N 3.15Å; W21-G23 PolarHBondContact O-N 3.28Å |
| 22 | K | 67.2 | Low | 62.6 | Low | 167 Ų | 167 | 131.8 Ų | 131.8 | 73% | 0.726 | 70% | 0.701 | S | S | * | * | | | trans | -68.8 | 72.8 | 171.9 | -55 | -57.1 | 179.6 | -163.9 | 0 | 105.5 | E20 D24 | E20-K22 PolarHBondContact O-N 3.18Å; K22-D24 PolarHBondContact O-N 3.21Å |
| 23 | G | 63.4 | Low | 62.9 | Low | 36 Ų | 36 | 126.3 Ų | 126.3 | 37% | 0.371 | 68% | 0.682 | S | S | . | * | | | trans | -49.5 | 117.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | W21 A25 | W21-G23 PolarHBondContact O-N 3.28Å; G23-A25 PolarHBondContact O-N 3.29Å |
| 24 | D | 62.7 | Low | 63.5 | Low | 122 Ų | 122 | 125 Ų | 125 | 65% | 0.652 | 68% | 0.676 | S | S | * | * | | | trans | -41.8 | 100.3 | -167.9 | -87.5 | -48.7 | 0 | 0 | 0 | 109.5 | K22 D26 S27 | K22-D24 PolarHBondContact O-N 3.21Å; D24-D26 PolarHBondContact O-N 3.16Å; D24-S27 PolarHBondContact O-N 3.27Å; D24-S27 PolarHBondContact O-OG 2.99Å |
| 25 | A | 60.5 | Low | 63.9 | Low | 97 Ų | 97 | 125.5 Ų | 125.5 | 80% | 0.802 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -18.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G23 | G23-A25 PolarHBondContact O-N 3.29Š|
| 26 | D | 61 | Low | 63.9 | Low | 155 Ų | 155 | 122.1 Ų | 122.1 | 83% | 0.829 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -1.7 | -177.8 | -57.2 | -36.6 | 0 | 0 | 0 | 113.7 | D24 G28 | D24-D26 PolarHBondContact O-N 3.16Å; D26-G28 PolarHBondContact O-N 3.33Å |
| 27 | S | 60.3 | Low | 64.3 | Low | 87 Ų | 87 | 118.9 Ų | 118.9 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | | | trans | -79.5 | 52.7 | 168.2 | 73 | 0 | 0 | 0 | 0 | 110.6 | D24 S29 | D24-S27 PolarHBondContact O-N 3.27Å; D24-S27 PolarHBondContact O-OG 2.99Å; S27-S29 PolarHBondContact O-N 2.96Å |
| 28 | G | 59.8 | Low | 64.1 | Low | 71 Ų | 71 | 114.7 Ų | 114.7 | 73% | 0.732 | 62% | 0.621 | S | S | * | * | | | trans | -62.7 | 70.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | D26 D30 | D26-G28 PolarHBondContact O-N 3.33Å; G28-D30 PolarHBondContact O-N 2.92Å |
| 29 | S | 59.6 | Low | 63.7 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | | | trans | -59.9 | 117 | 178.6 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | S27 F31 | S27-S29 PolarHBondContact O-N 2.96Å; S29-F31 PolarHBondContact O-N 3Å |
| 30 | D | 68 | Low | 63.1 | Low | 102 Ų | 102 | 114.2 Ų | 114.2 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | 19.2 | -170.1 | -168.9 | 45.4 | 0 | 0 | 0 | 115.5 | G28 E32 S33 | G28-D30 PolarHBondContact O-N 2.92Å; D30-E32 PolarHBondContact O-N 2.89Å; D30-E32 VanDerWaalsContact O-N 3.09Å; D30-S33 PolarHBondContact O-N 3.37Å; D30-S33 VanDerWaalsContact O-N 3.14Å; D30-S33 WeakPolarHBondContact OD1-CB 3.48Å; D30-S33 PolarHBondContact OD1-OG 3.09Å |
| 31 | F | 66.2 | Low | 62.3 | Low | 125 Ų | 125 | 112.2 Ų | 112.2 | 55% | 0.548 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -53.2 | -35.6 | 179.1 | 177.4 | -102.1 | 0 | 0 | 0 | 111.2 | S29 M35 R57 | S29-F31 PolarHBondContact O-N 3Å; F31-M35 HydrophobicContact CE1-CE 4.22Å; F31-M35 HydrophobicContact CE2-CE 3.6Å; F31-M35 HydrophobicContact CZ-CE 3.31Å; F31-M35 HydrophobicContact CZ-SD 4.49Å; F31-R57 PolarHBondContact O-NH2 3.18Å |
| 32 | E | 66.7 | Low | 61.4 | Low | 127 Ų | 127 | 112 Ų | 112 | 59% | 0.593 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.9 | -39.8 | -178.8 | -152.2 | -171.3 | -178.3 | 0 | 0 | 113 | D30 E34 R57 | D30-E32 PolarHBondContact O-N 2.89Å; D30-E32 VanDerWaalsContact O-N 3.09Å; E32-E34 PolarHBondContact O-N 2.91Å; E32-R57 WeakPolarHBondContact O-CG 3.14Å; E32-R57 PolarHBondContact O-NE 2.83Å; E32-R57 PolarHBondContact O-NH2 2.67Å |
| 33 | S | 65.2 | Low | 60.7 | Low | 55 Ų | 55 | 107.3 Ų | 107.3 | 39% | 0.385 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65 | -31.7 | -177.6 | -43.9 | 0 | 0 | 0 | 0 | 110.8 | D30 A60 | D30-S33 PolarHBondContact O-N 3.37Å; D30-S33 VanDerWaalsContact O-N 3.14Å; D30-S33 WeakPolarHBondContact OD1-CB 3.48Å; D30-S33 PolarHBondContact OD1-OG 3.09Å; S33-A60 WeakPolarHBondContact O-CB 3.13Å; S33-A60 PolarHBondContact O-N 3.01Å |
| 34 | E | 65.8 | Low | 60.3 | Low | 129 Ų | 129 | 115.6 Ų | 115.6 | 60% | 0.603 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -63.1 | -48.1 | -171.2 | -137.9 | 179.3 | 171.3 | 0 | 0 | 115.5 | E32 K36 | E32-E34 PolarHBondContact O-N 2.91Å; E34-K36 PolarHBondContact O-N 3.35Å |
| 35 | M | 63.7 | Low | 60 | Low | 119 Ų | 119 | 119.3 Ų | 119.3 | 59% | 0.586 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 20.3 | -168.1 | -47.8 | 180 | 178.2 | 0 | 0 | 117.7 | F31 R57 | F31-M35 HydrophobicContact CE1-CE 4.22Å; F31-M35 HydrophobicContact CE2-CE 3.6Å; F31-M35 HydrophobicContact CZ-CE 3.31Å; F31-M35 HydrophobicContact CZ-SD 4.49Å; M35-R57 VanDerWaalsContact CB-NH2 3.26Å |
| 36 | K | 62 | Low | 59.5 | Low | 88 Ų | 88 | 117.7 Ų | 117.7 | 38% | 0.383 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -147.6 | 45.1 | 170.9 | -145.3 | 160.5 | 150.7 | -173.1 | 0 | 115.5 | E34 G38 R57 A58 N59 | E34-K36 PolarHBondContact O-N 3.35Å; K36-G38 PolarHBondContact O-N 3.33Å; K36-R57 HydrophobicContact CB-CB 3.7Å; K36-R57 HydrophobicContact CB-CG 3.31Å; K36-R57 WeakPolarHBondContact CB-O 3.46Å; K36-R57 HydrophobicContact CD-CB 3.55Å; K36-R57 HydrophobicContact CD-CG 4.04Å; K36-R57 WeakPolarHBondContact CD-O 3.48Å; K36-R57 WeakPolarHBondContact CE-O 2.87Å; K36-R57 HydrophobicContact CG-CB 4.25Å; K36-R57 HydrophobicContact CG-CG 4.34Å; K36-R57 WeakPolarHBondContact CG-O 3.06Å; K36-A58 CarbonylContact O-C 3.32Å; K36-A58 VanDerWaalsContact O-C 3.32Å; K36-A58 WeakPolarHBondContact O-CA 3.31Å; K36-N59 PolarHBondContact O-N 2.64Å; K36-N59 PolarHBondContact O-OD1 2.96Å |
| 37 | K | 67.5 | Low | 59.1 | Low | 104 Ų | 104 | 115.8 Ų | 115.8 | 45% | 0.452 | 67% | 0.673 | S | S | . | * | | | trans | -55.4 | 41.8 | 150.1 | -158 | 150.7 | 169.3 | -160 | 0 | 115.6 | N59 A60 | K37-N59 WeakPolarHBondContact CA-OD1 3Å; K37-N59 HydrophobicContact CB-CB 3.93Å; K37-N59 HydrophobicContact CD-CB 4.21Å; K37-N59 HydrophobicContact CG-CB 3.64Å; K37-A60 WeakPolarHBondContact CD-O 2.94Å |
| 38 | G | 59.8 | Low | 58.8 | Low | 45 Ų | 45 | 117.8 Ų | 117.8 | 46% | 0.464 | 68% | 0.681 | S | S | . | * | | | trans | -85.2 | 116.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K36 A40 N59 | K36-G38 PolarHBondContact O-N 3.33Å; G38-A40 PolarHBondContact O-N 3.3Å; G38-N59 VanDerWaalsContact C-OD1 3.24Å; G38-N59 WeakPolarHBondContact CA-OD1 3.12Å; G38-N59 PolarHBondContact N-OD1 3.18Å; G38-N59 PolarHBondContact O-ND2 2.97Å; G38-N59 PolarHBondContact O-OD1 2.66Å |
| 39 | K | 53.4 | Low | 58.6 | Low | 204 Ų | 204 | 117.1 Ų | 117.1 | 89% | 0.887 | 67% | 0.674 | S | S | * | * | | | trans | -62 | 118.6 | 170.6 | -63.5 | -177.4 | 177.1 | 176.9 | 0 | 110.5 | | |
| 40 | A | 57.5 | Low | 58.6 | Low | 91 Ų | 91 | 122.5 Ų | 122.5 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | | | trans | -150.7 | 96.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107 | G38 | G38-A40 PolarHBondContact O-N 3.3Š|
| 41 | A | 51.5 | Low | 58.1 | Low | 97 Ų | 97 | 127.8 Ų | 127.8 | 80% | 0.802 | 70% | 0.697 | S | S | * | * | | | | 80.4 | 124.9 | 94.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G43 | A41-G43 PolarHBondContact O-N 2.85Š|
| 42 | K | 48.6 | Very low | 58 | Low | 227 Ų | 227 | 129.9 Ų | 129.9 | 99% | 0.987 | 71% | 0.714 | S | S | * | * | | | trans | -53.6 | 87.9 | -175.6 | -69.9 | 172.8 | 173.5 | 174.4 | 0 | 111.8 | | |
| 43 | G | 52.6 | Low | 57.8 | Low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | | | trans | -108.9 | 85.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A41 K45 | A41-G43 PolarHBondContact O-N 2.85Å; G43-K45 VanDerWaalsContact C-N 3.33Å; G43-K45 PolarHBondContact O-N 3.19Å |
| 44 | K | 53.9 | Low | 57.9 | Low | 210 Ų | 210 | 136.6 Ų | 136.6 | 91% | 0.913 | 75% | 0.746 | S | S | * | * | | | trans | -64.4 | 92 | 163.4 | -78.1 | -179.7 | 171 | -179.5 | 0 | 108.8 | | |
| 45 | K | 55.7 | Low | 57.8 | Low | 200 Ų | 200 | 135.8 Ų | 135.8 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | | | trans | -150.6 | 90.3 | 157.4 | -64.1 | -169.5 | -178.6 | 176.2 | 0 | 104.6 | G43 | G43-K45 VanDerWaalsContact C-N 3.33Å; G43-K45 PolarHBondContact O-N 3.19Å |
| 46 | G | 51.5 | Low | 57.7 | Low | 62 Ų | 62 | 135.9 Ų | 135.9 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | | | | 70.6 | 103.5 | 86 | 0 | 0 | 0 | 0 | 0 | 106.8 | V48 | G46-V48 VanDerWaalsContact C-N 3.27Å; G46-V48 PolarHBondContact O-N 2.97Å |
| 47 | A | 51.1 | Low | 58 | Low | 115 Ų | 115 | 134.7 Ų | 134.7 | 95% | 0.95 | 75% | 0.752 | S | S | * | * | | | trans | -54.7 | 89.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 48 | V | 55 | Low | 57.9 | Low | 129 Ų | 129 | 133.6 Ų | 133.6 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | | | trans | -93.7 | 116.8 | 169.2 | 178 | 0 | 0 | 0 | 0 | 105.3 | G46 | G46-V48 VanDerWaalsContact C-N 3.27Å; G46-V48 PolarHBondContact O-N 2.97Å |
| 49 | G | 56.2 | Low | 57.7 | Low | 57 Ų | 57 | 134.5 Ų | 134.5 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | | | trans | -45.8 | 148.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R51 | G49-R51 VanDerWaalsContact C-N 3.28Å; G49-R51 PolarHBondContact O-N 3.28Å |
| 50 | K | 58.6 | Low | 58.1 | Low | 219 Ų | 219 | 125.8 Ų | 125.8 | 95% | 0.952 | 72% | 0.723 | S | S | * | * | | | trans | -45 | 86.6 | 170.9 | -56.9 | 172.9 | -177.6 | 178.2 | 0 | 110.6 | | |
| 51 | R | 58.2 | Low | 58.3 | Low | 212 Ų | 212 | 129.9 Ų | 129.9 | 80% | 0.8 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -115.5 | 92.9 | 157.3 | -69.8 | -166.9 | -61.5 | 161.9 | 0.8 | 105.8 | G49 A53 | G49-R51 VanDerWaalsContact C-N 3.28Å; G49-R51 PolarHBondContact O-N 3.28Å; R51-A53 PolarHBondContact O-N 3.14Å |
| 52 | N | 64.5 | Low | 59.1 | Low | 170 Ų | 170 | 135.6 Ų | 135.6 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 49.4 | 22.1 | 158.1 | -52.8 | 5.3 | 0 | 0 | 0 | 117.7 | | |
| 53 | A | 61.4 | Low | 59.6 | Low | 95 Ų | 95 | 128.2 Ų | 128.2 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 125 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R51 | R51-A53 PolarHBondContact O-N 3.14Š|
| 54 | R | 67.4 | Low | 60 | Low | 228 Ų | 228 | 130 Ų | 130 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 148.4 | -172.6 | -69.5 | 174 | 165 | 158.9 | -5.5 | 112.7 | T56 | R54-T56 PolarHBondContact O-N 3.09Š|
| 55 | P | 64.8 | Low | 60.2 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 126.7 | -178.7 | -21.1 | 31.6 | 0 | 0 | 0 | 113.3 | | |
| 56 | T | 61.5 | Low | 60.2 | Low | 120 Ų | 120 | 122 Ų | 122 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | | | trans | -95.1 | 95.8 | 165.6 | 49.9 | 0 | 0 | 0 | 0 | 109 | R54 A58 | R54-T56 PolarHBondContact O-N 3.09Å; T56-A58 PolarHBondContact O-N 3.03Å |
| 57 | R | 67.4 | Low | 60.5 | Low | 63 Ų | 63 | 127.9 Ų | 127.9 | 24% | 0.238 | 72% | 0.719 | C | S | . | * | | | trans | -47.4 | 130.6 | 176.9 | 174.4 | -158.7 | -169.8 | 146 | 7.7 | 109.7 | F31 E32 M35 K36 | F31-R57 PolarHBondContact O-NH2 3.18Å; E32-R57 WeakPolarHBondContact O-CG 3.14Å; E32-R57 PolarHBondContact O-NE 2.83Å; E32-R57 PolarHBondContact O-NH2 2.67Å; M35-R57 VanDerWaalsContact CB-NH2 3.26Å; K36-R57 HydrophobicContact CB-CB 3.7Å; K36-R57 HydrophobicContact CB-CG 3.31Å; K36-R57 WeakPolarHBondContact CB-O 3.46Å; K36-R57 HydrophobicContact CD-CB 3.55Å; K36-R57 HydrophobicContact CD-CG 4.04Å; K36-R57 WeakPolarHBondContact CD-O 3.48Å; K36-R57 WeakPolarHBondContact CE-O 2.87Å; K36-R57 HydrophobicContact CG-CB 4.25Å; K36-R57 HydrophobicContact CG-CG 4.34Å; K36-R57 WeakPolarHBondContact CG-O 3.06Å |
| 58 | A | 66.3 | Low | 61 | Low | 81 Ų | 81 | 132.1 Ų | 132.1 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | | | trans | -144.1 | 113.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K36 T56 | K36-A58 CarbonylContact O-C 3.32Å; K36-A58 VanDerWaalsContact O-C 3.32Å; K36-A58 WeakPolarHBondContact O-CA 3.31Å; T56-A58 PolarHBondContact O-N 3.03Å |
| 59 | N | 55 | Low | 61.3 | Low | 64 Ų | 64 | 137.5 Ų | 137.5 | 34% | 0.342 | 72% | 0.722 | S | S | . | * | | | trans | 60.3 | 58.5 | 148.3 | -47.7 | 10.3 | 0 | 0 | 0 | 123.7 | K36 K37 G38 K61 | K36-N59 PolarHBondContact O-N 2.64Å; K36-N59 PolarHBondContact O-OD1 2.96Å; K37-N59 WeakPolarHBondContact CA-OD1 3Å; K37-N59 HydrophobicContact CB-CB 3.93Å; K37-N59 HydrophobicContact CD-CB 4.21Å; K37-N59 HydrophobicContact CG-CB 3.64Å; G38-N59 VanDerWaalsContact C-OD1 3.24Å; G38-N59 WeakPolarHBondContact CA-OD1 3.12Å; G38-N59 PolarHBondContact N-OD1 3.18Å; G38-N59 PolarHBondContact O-ND2 2.97Å; G38-N59 PolarHBondContact O-OD1 2.66Å; N59-K61 PolarHBondContact O-N 2.74Å |
| 60 | A | 61.7 | Low | 61.5 | Low | 21 Ų | 21 | 138.3 Ų | 138.3 | 17% | 0.174 | 73% | 0.73 | C | S | . | * | | | trans | -65.3 | 125 | 159.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S33 K37 R62 | S33-A60 WeakPolarHBondContact O-CB 3.13Å; S33-A60 PolarHBondContact O-N 3.01Å; K37-A60 WeakPolarHBondContact CD-O 2.94Å; A60-R62 PolarHBondContact O-N 2.71Å |
| 61 | K | 61.3 | Low | 61.5 | Low | 178 Ų | 178 | 133.3 Ų | 133.3 | 77% | 0.774 | 72% | 0.723 | S | S | * | * | | | trans | -71.7 | 111.2 | 168.3 | -88 | 164.1 | 164.7 | 177.8 | 0 | 109.5 | N59 G63 | N59-K61 PolarHBondContact O-N 2.74Å; K61-G63 PolarHBondContact O-N 2.79Å |
| 62 | R | 67.8 | Low | 61.7 | Low | 217 Ų | 217 | 128.5 Ų | 128.5 | 82% | 0.819 | 72% | 0.722 | S | S | * | * | | | trans | -40.3 | 119.1 | 162.7 | -71.1 | 175.2 | -92.9 | 171.1 | -5.1 | 111.5 | A60 | A60-R62 PolarHBondContact O-N 2.71Š|
| 63 | G | 60.1 | Low | 61.6 | Low | 71 Ų | 71 | 124.9 Ų | 124.9 | 73% | 0.732 | 72% | 0.715 | S | S | * | * | | | trans | -73.6 | 140.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K61 | K61-G63 PolarHBondContact O-N 2.79Š|
| 64 | A | 59.9 | Low | 61.6 | Low | 105 Ų | 105 | 125.1 Ų | 125.1 | 87% | 0.868 | 71% | 0.711 | S | S | * | * | | | trans | -99 | 89.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 65 | T | 59.9 | Low | 61.5 | Low | 139 Ų | 139 | 121.4 Ų | 121.4 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | | | trans | -119.5 | 95.1 | 169.4 | 53.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 66 | S | 55.5 | Low | 61.4 | Low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | | | trans | -64 | 132.7 | 162 | 59.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 67 | K | 57.5 | Low | 61.5 | Low | 187 Ų | 187 | 121.4 Ų | 121.4 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | | | trans | 162.4 | 131.7 | 133.2 | -90.6 | 165.6 | 176.8 | 173.3 | 0 | 112.9 | | |
| 68 | K | 61.2 | Low | 61.3 | Low | 204 Ų | 204 | 126.8 Ų | 126.8 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | | | trans | 101.5 | 111.2 | 155.8 | -61.6 | 178.7 | -175.3 | -175 | 0 | 118 | | |
| 69 | R | 60.8 | Low | 61.1 | Low | 241 Ų | 241 | 129 Ų | 129 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | | | trans | -47.9 | 129.3 | 164.8 | -85.2 | 169.2 | -72.5 | -131.5 | -5.4 | 112.3 | | |
| 70 | G | 61.2 | Low | 61.4 | Low | 74 Ų | 74 | 129.9 Ų | 129.9 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | | | trans | -122.9 | 102.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | S72 | G70-S72 PolarHBondContact O-N 2.7Š|
| 71 | S | 57.8 | Low | 61.2 | Low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -84.3 | 92.5 | 174.1 | -55.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 72 | S | 62 | Low | 61.3 | Low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -106.5 | 133.6 | 162.8 | 56.3 | 0 | 0 | 0 | 0 | 108.1 | G70 S74 | G70-S72 PolarHBondContact O-N 2.7Å; S72-S74 PolarHBondContact O-N 2.73Å |
| 73 | A | 62.4 | Low | 61.4 | Low | 93 Ų | 93 | 128.4 Ų | 128.4 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -35.4 | 123 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D75 | A73-D75 VanDerWaalsContact C-N 3.31Å; A73-D75 PolarHBondContact O-N 2.93Å |
| 74 | S | 62.5 | Low | 61.9 | Low | 101 Ų | 101 | 131.6 Ų | 131.6 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -63.4 | 96.4 | 160.6 | 48.6 | 0 | 0 | 0 | 0 | 107.1 | S72 V76 | S72-S74 PolarHBondContact O-N 2.73Å; S74-V76 PolarHBondContact O-N 3.05Å |
| 75 | D | 65.5 | Low | 62.8 | Low | 150 Ų | 150 | 131.1 Ų | 131.1 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -58.5 | 103.7 | 152.4 | -89.4 | -56.8 | 0 | 0 | 0 | 105.1 | A73 S77 | A73-D75 VanDerWaalsContact C-N 3.31Å; A73-D75 PolarHBondContact O-N 2.93Å; D75-S77 PolarHBondContact O-N 3.37Å |
| 76 | V | 62.6 | Low | 63.8 | Low | 124 Ų | 124 | 133.8 Ų | 133.8 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -68.3 | 85.8 | 172.9 | -74.4 | 0 | 0 | 0 | 0 | 106.8 | S74 E78 | S74-V76 PolarHBondContact O-N 3.05Å; V76-E78 PolarHBondContact O-N 3.09Å |
| 77 | S | 62.6 | Low | 65.1 | Low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -73.7 | 108.5 | 158.1 | 47.9 | 0 | 0 | 0 | 0 | 106 | D75 D79 | D75-S77 PolarHBondContact O-N 3.37Å; S77-D79 VanDerWaalsContact C-N 3.32Å; S77-D79 PolarHBondContact O-N 3.3Å |
| 78 | E | 62.8 | Low | 66.3 | Low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | | | trans | -57.1 | 100.7 | 165.2 | -63.2 | -171.1 | 167.3 | 0 | 0 | 106.9 | V76 S80 | V76-E78 PolarHBondContact O-N 3.09Å; E78-S80 PolarHBondContact O-N 3.19Å |
| 79 | D | 62.2 | Low | 67.4 | Low | 127 Ų | 127 | 130.5 Ų | 130.5 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | | | trans | -70.5 | 72.9 | 169.1 | 177.1 | 26.9 | 0 | 0 | 0 | 107.6 | S77 G81 | S77-D79 VanDerWaalsContact C-N 3.32Å; S77-D79 PolarHBondContact O-N 3.3Å; D79-G81 PolarHBondContact O-N 2.87Å |
| 80 | S | 61.7 | Low | 68.4 | Low | 84 Ų | 84 | 124.9 Ų | 124.9 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | | | trans | -79.8 | 95 | 159 | 56.1 | 0 | 0 | 0 | 0 | 106.3 | E78 E82 | E78-S80 PolarHBondContact O-N 3.19Å; S80-E82 PolarHBondContact O-N 2.5Å |
| 81 | G | 58.4 | Low | 69.4 | Low | 69 Ų | 69 | 126.8 Ų | 126.8 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | trans | -58.7 | 103.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D79 | D79-G81 PolarHBondContact O-N 2.87Š|
| 82 | E | 63.6 | Low | 70.5 | Confident | 160 Ų | 160 | 131.4 Ų | 131.4 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -169 | 104.6 | 158.6 | 34 | 158.4 | 126.1 | 0 | 0 | 106.7 | S80 | S80-E82 PolarHBondContact O-N 2.5Š|
| 83 | D | 68.5 | Low | 71.6 | Confident | 155 Ų | 155 | 136.8 Ų | 136.8 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | | | trans | 48.7 | 74.9 | 172.4 | -55.5 | -41.7 | 0 | 0 | 0 | 115.1 | S85 | D83-S85 PolarHBondContact O-N 2.97Š|
| 84 | D | 70.5 | Confident | 72.7 | Confident | 138 Ų | 138 | 141.8 Ų | 141.8 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | -57.8 | 77.9 | 164.9 | -83.2 | -27.8 | 0 | 0 | 0 | 110.2 | Y86 | D84-Y86 PolarHBondContact O-N 2.94Å; D84-Y86 VanDerWaalsContact O-N 3.09Å |
| 85 | S | 79.7 | Confident | 73.7 | Confident | 96 Ų | 96 | 145.5 Ų | 145.5 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | | | trans | -65 | 114.7 | 170.3 | 63.7 | 0 | 0 | 0 | 0 | 106.4 | D83 V87 | D83-S85 PolarHBondContact O-N 2.97Å; S85-V87 WeakPolarHBondContact O-CG2 3.5Å; S85-V87 PolarHBondContact O-N 2.84Å |
| 86 | Y | 79.9 | Confident | 74.3 | Confident | 195 Ų | 195 | 144.5 Ų | 144.5 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | trans | -54 | 110.4 | 177.9 | 171.9 | -100.5 | 0 | 0 | 0 | 109.1 | D84 P88 | D84-Y86 PolarHBondContact O-N 2.94Å; D84-Y86 VanDerWaalsContact O-N 3.09Å; Y86-P88 HydrophobicContact CD1-CG 4.18Å; Y86-P88 HydrophobicContact CE1-CB 4.14Å; Y86-P88 HydrophobicContact CE1-CG 3.93Å; Y86-P88 VanDerWaalsContact O-CD 3.31Å; Y86-P88 WeakPolarHBondContact O-CD 3.12Å |
| 87 | V | 83.3 | Confident | 74.9 | Confident | 112 Ų | 112 | 143.4 Ų | 143.4 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | | | trans | -88.4 | 112 | 173.4 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | S85 R89 | S85-V87 WeakPolarHBondContact O-CG2 3.5Å; S85-V87 PolarHBondContact O-N 2.84Å; V87-R89 PolarHBondContact O-N 2.7Å |
| 88 | P | 83.5 | Confident | 75.1 | Confident | 89 Ų | 89 | 143.1 Ų | 143.1 | 58% | 0.578 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 134.2 | 176.3 | -21.6 | 33.3 | 0 | 0 | 0 | 110.4 | Y86 | Y86-P88 HydrophobicContact CD1-CG 4.18Å; Y86-P88 HydrophobicContact CE1-CB 4.14Å; Y86-P88 HydrophobicContact CE1-CG 3.93Å; Y86-P88 VanDerWaalsContact O-CD 3.31Å; Y86-P88 WeakPolarHBondContact O-CD 3.12Å |
| 89 | R | 83.2 | Confident | 75.1 | Confident | 223 Ų | 223 | 139.8 Ų | 139.8 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 135.2 | 174.3 | -70 | 177.4 | 171.6 | 151.4 | -2.4 | 109.6 | V87 S91 | V87-R89 PolarHBondContact O-N 2.7Å; R89-S91 PolarHBondContact O-N 2.61Å |
| 90 | P | 83 | Confident | 75.2 | Confident | 124 Ų | 124 | 142.6 Ų | 142.6 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 129.9 | 173.3 | 21.8 | -29.9 | 0 | 0 | 0 | 109.8 | | |
| 91 | S | 81.6 | Confident | 75.3 | Confident | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 140 | 172.8 | 64.5 | 0 | 0 | 0 | 0 | 109.6 | R89 R93 | R89-S91 PolarHBondContact O-N 2.61Å; S91-R93 PolarHBondContact O-N 3.27Å; S91-R93 VanDerWaalsContact O-N 3.16Å |
| 92 | K | 80.8 | Confident | 75.3 | Confident | 212 Ų | 212 | 152 Ų | 152 | 92% | 0.922 | 75% | 0.752 | S | S | * | * | | | trans | -75.1 | 105 | 175 | -68.5 | 178.9 | 180 | 170.5 | 0 | 108.6 | | |
| 93 | R | 84.3 | Confident | 74.9 | Confident | 225 Ų | 225 | 147.5 Ų | 147.5 | 85% | 0.849 | 75% | 0.749 | S | S | * | * | | | trans | -76.7 | 123.5 | 170 | -176.9 | 169.1 | 63.8 | 176 | -1.1 | 109.7 | S91 Q95 | S91-R93 PolarHBondContact O-N 3.27Å; S91-R93 VanDerWaalsContact O-N 3.16Å; R93-Q95 PolarHBondContact O-N 3.32Å |
| 94 | R | 86 | Confident | 74.5 | Confident | 197 Ų | 197 | 146.6 Ų | 146.6 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | -60.5 | 123.3 | 171.5 | -171.9 | 171.7 | 69.5 | 94.6 | -5.8 | 109.4 | L96 | R94-L96 VanDerWaalsContact NH2-CD2 3.32Å; R94-L96 PolarHBondContact O-N 2.75Å |
| 95 | Q | 83.1 | Confident | 74 | Confident | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | | | trans | -71.5 | 111.4 | 171.7 | -62.7 | -123 | -39.2 | 0 | 0 | 108 | R93 S97 | R93-Q95 PolarHBondContact O-N 3.32Å; Q95-S97 PolarHBondContact O-N 3.23Å |
| 96 | L | 78 | Confident | 73.1 | Confident | 129 Ų | 129 | 147 Ų | 147 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | | | trans | -72 | 111 | 159.9 | -64.3 | 174.2 | 0 | 0 | 0 | 105.4 | R94 S98 | R94-L96 VanDerWaalsContact NH2-CD2 3.32Å; R94-L96 PolarHBondContact O-N 2.75Å; L96-S98 PolarHBondContact O-N 2.63Å |
| 97 | S | 75.4 | Confident | 72.2 | Confident | 102 Ų | 102 | 145.3 Ų | 145.3 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | trans | -53.5 | 116.6 | 171.4 | 51.4 | 0 | 0 | 0 | 0 | 108.1 | Q95 N99 | Q95-S97 PolarHBondContact O-N 3.23Å; S97-N99 PolarHBondContact O-N 2.74Å; S97-N99 VanDerWaalsContact O-N 3.15Å |
| 98 | S | 68.6 | Low | 70.7 | Confident | 100 Ų | 100 | 143 Ų | 143 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | trans | -64.1 | 117.4 | 174.5 | 60.9 | 0 | 0 | 0 | 0 | 107.8 | L96 K100 | L96-S98 PolarHBondContact O-N 2.63Å; S98-K100 PolarHBondContact O-N 3.35Å |
| 99 | N | 61.9 | Low | 69.5 | Low | 106 Ų | 106 | 144.7 Ų | 144.7 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | | | trans | -65.6 | 84.8 | 165.9 | -83.2 | 6.6 | 0 | 0 | 0 | 108.1 | S97 N101 R102 | S97-N99 PolarHBondContact O-N 2.74Å; S97-N99 VanDerWaalsContact O-N 3.15Å; N99-N101 PolarHBondContact O-N 3.4Å; N99-N101 VanDerWaalsContact O-N 3.09Å; N99-R102 PolarHBondContact ND2-NH2 2.75Å; N99-R102 VanDerWaalsContact ND2-NH2 3.18Å |
| 100 | K | 63.7 | Low | 68.3 | Low | 186 Ų | 186 | 139 Ų | 139 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -1.7 | -179.6 | -153.7 | 167.5 | -173.4 | 175.8 | 0 | 112.9 | S98 | S98-K100 PolarHBondContact O-N 3.35Š|
| 101 | N | 65.4 | Low | 67.4 | Low | 135 Ų | 135 | 138.2 Ų | 138.2 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 5.6 | -167.6 | -52.3 | -0.4 | 0 | 0 | 0 | 114.4 | N99 G103 | N99-N101 PolarHBondContact O-N 3.4Å; N99-N101 VanDerWaalsContact O-N 3.09Å; N101-G103 PolarHBondContact O-N 2.83Å; N101-G103 VanDerWaalsContact O-N 3.13Å |
| 102 | R | 57.1 | Low | 66.4 | Low | 216 Ų | 216 | 138.7 Ų | 138.7 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | | | trans | -89.2 | 62.6 | 168.1 | -73.1 | -165.7 | -145.5 | 143.8 | 1.7 | 110.6 | N99 | N99-R102 PolarHBondContact ND2-NH2 2.75Å; N99-R102 VanDerWaalsContact ND2-NH2 3.18Å |
| 103 | G | 55.2 | Low | 65.6 | Low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | | | trans | -138 | 60.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | N101 | N101-G103 PolarHBondContact O-N 2.83Å; N101-G103 VanDerWaalsContact O-N 3.13Å |
| 104 | V | 60.3 | Low | 64.3 | Low | 136 Ų | 136 | 128.7 Ų | 128.7 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | -94.7 | 112.4 | 166.1 | -156.7 | 0 | 0 | 0 | 0 | 104.8 | | |
| 105 | T | 59.4 | Low | 62.7 | Low | 93 Ų | 93 | 130.8 Ų | 130.8 | 57% | 0.571 | 78% | 0.782 | S | S | * | * | | | trans | -69.9 | 147.9 | -166.2 | 46.9 | 0 | 0 | 0 | 0 | 111.5 | E107 | T105-E107 VanDerWaalsContact C-N 3.28Å; T105-E107 WeakPolarHBondContact CB-OE1 2.91Å; T105-E107 PolarHBondContact O-N 2.8Å; T105-E107 WeakPolarHBondContact OG1-CG 2.91Å; T105-E107 PolarHBondContact OG1-OE1 2.95Å |
| 106 | V | 61.3 | Low | 61.7 | Low | 150 Ų | 150 | 128.4 Ų | 128.4 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | | | trans | -76.6 | 84.6 | 167.9 | 176.6 | 0 | 0 | 0 | 0 | 107 | | |
| 107 | E | 61.5 | Low | 60.9 | Low | 158 Ų | 158 | 128.3 Ų | 128.3 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -92.8 | 110.3 | 161.6 | -41.6 | -72.8 | 142.2 | 0 | 0 | 104.4 | T105 | T105-E107 VanDerWaalsContact C-N 3.28Å; T105-E107 WeakPolarHBondContact CB-OE1 2.91Å; T105-E107 PolarHBondContact O-N 2.8Å; T105-E107 WeakPolarHBondContact OG1-CG 2.91Å; T105-E107 PolarHBondContact OG1-OE1 2.95Å |
| 108 | G | 51.4 | Low | 60.1 | Low | 65 Ų | 65 | 129.8 Ų | 129.8 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | | 105.9 | 87.6 | 71.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 109 | S | 58.2 | Low | 59.6 | Low | 123 Ų | 123 | 131.5 Ų | 131.5 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | 48.5 | 118.4 | 152.4 | -51.8 | 0 | 0 | 0 | 0 | 121.3 | S111 | S109-S111 PolarHBondContact O-N 2.73Š|
| 110 | A | 59.2 | Low | 59.4 | Low | 105 Ų | 105 | 133.1 Ų | 133.1 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | | | trans | -25 | 117.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 111 | S | 63.2 | Low | 59.1 | Low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | -89.7 | 132.2 | 153.9 | 54.2 | 0 | 0 | 0 | 0 | 109.1 | S109 D113 | S109-S111 PolarHBondContact O-N 2.73Å; S111-D113 PolarHBondContact O-N 2.73Å |
| 112 | S | 60 | Low | 58.7 | Low | 122 Ų | 122 | 129.2 Ų | 129.2 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -60.6 | 105.5 | 175.1 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 113 | D | 63.8 | Low | 58.8 | Low | 156 Ų | 156 | 122.5 Ų | 122.5 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | -79.6 | 116.9 | 160.5 | -106 | -68.5 | 0 | 0 | 0 | 107.7 | S111 | S111-D113 PolarHBondContact O-N 2.73Š|
| 114 | G | 56.7 | Low | 59.1 | Low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | | | trans | -87.2 | 121.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 115 | D | 54.1 | Low | 59 | Low | 241 Ų | 241 | 126.5 Ų | 126.5 | 100% | 1.289 | 83% | 0.825 | S | S | * | * | | | trans | -149.8 | 0 | 148 | -162.7 | -115.4 | 0 | 0 | 0 | 108.4 | | |