| 1 | M | 29.9 | Very low | 35.2 | Very low | 208 Ų | 208 | 157.3 Ų | 157.3 | 100% | 1.025 | 78% | 0.777 | S | S | * | * | | | | 0 | 88.3 | 0 | -165.3 | 160 | 159.6 | 0 | 0 | 107.4 | | |
| 2 | V | 29 | Very low | 35.8 | Very low | 125 Ų | 125 | 160.8 Ų | 160.8 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | | | trans | -118.4 | 116.3 | -171.8 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | R4 | V2-R4 HydrophobicContact CG1-CG 4.44Å; V2-R4 PolarHBondContact O-N 3.42Å |
| 3 | W | 30 | Very low | 36.1 | Very low | 222 Ų | 222 | 155.8 Ų | 155.8 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | | | trans | -83.6 | 105.3 | 177.1 | -63.8 | 72.1 | 0 | 0 | 0 | 107.8 | | |
| 4 | R | 32.4 | Very low | 36.5 | Very low | 222 Ų | 222 | 152.1 Ų | 152.1 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -97.4 | 94.2 | 165.7 | -75.9 | -167 | -171.2 | 168.8 | 4.1 | 108.5 | V2 Q6 | V2-R4 HydrophobicContact CG1-CG 4.44Å; V2-R4 PolarHBondContact O-N 3.42Å; R4-Q6 VanDerWaalsContact C-N 3.34Å; R4-Q6 PolarHBondContact O-N 3.47Å |
| 5 | N | 36 | Very low | 36.7 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | trans | -92.2 | 74.2 | 164.5 | -155.8 | -14.5 | 0 | 0 | 0 | 107.4 | | |
| 6 | Q | 33 | Very low | 36.9 | Very low | 183 Ų | 183 | 148.9 Ų | 148.9 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | | | trans | -113.6 | 99 | 169.6 | -89.6 | -169.1 | 25.1 | 0 | 0 | 107.3 | R4 | R4-Q6 VanDerWaalsContact C-N 3.34Å; R4-Q6 PolarHBondContact O-N 3.47Å |
| 7 | G | 34.6 | Very low | 36.8 | Very low | 62 Ų | 62 | 146.5 Ų | 146.5 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | trans | 174.2 | 80.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 8 | S | 38.4 | Very low | 36.6 | Very low | 85 Ų | 85 | 144.4 Ų | 144.4 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | | | trans | 53.2 | 111.8 | 142.2 | -169.7 | 0 | 0 | 0 | 0 | 117.7 | E10 | S8-E10 PolarHBondContact O-N 2.86Š|
| 9 | V | 41.2 | Very low | 36.5 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | -43.6 | 98.5 | 158.8 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | R11 | V9-R11 HydrophobicContact CG1-CG 3.87Š|
| 10 | E | 42.4 | Very low | 36.4 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 59% | 0.589 | 76% | 0.755 | S | S | * | * | | | trans | -99.2 | 96.9 | 163 | -62.1 | -153.8 | 147.7 | 0 | 0 | 107.1 | S8 F12 K24 | S8-E10 PolarHBondContact O-N 2.86Å; E10-F12 PolarHBondContact O-N 3.18Å; E10-F12 VanDerWaalsContact O-N 3.11Å; E10-K24 WeakPolarHBondContact OE1-CD 3.5Å; E10-K24 IonicContact OE1-NZ 3.29Å; E10-K24 PolarHBondContact OE1-NZ 3.29Å |
| 11 | R | 40.9 | Very low | 36.5 | Very low | 215 Ų | 215 | 141 Ų | 141 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | | | trans | -56.5 | 115.3 | 175.3 | -65.4 | 179.3 | 178.9 | 145.7 | -1.4 | 107.7 | V9 L13 | V9-R11 HydrophobicContact CG1-CG 3.87Å; R11-L13 PolarHBondContact O-N 2.98Å; R11-L13 VanDerWaalsContact O-N 3.1Å |
| 12 | F | 41.6 | Very low | 36.8 | Very low | 200 Ų | 200 | 139.5 Ų | 139.5 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | | | trans | -54.5 | 116.4 | 175 | -84 | -95.9 | 0 | 0 | 0 | 109.8 | E10 T14 | E10-F12 PolarHBondContact O-N 3.18Å; E10-F12 VanDerWaalsContact O-N 3.11Å; F12-T14 PolarHBondContact O-N 3.13Å; F12-T14 VanDerWaalsContact O-N 3.13Å |
| 13 | L | 40 | Very low | 37.2 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 50% | 0.497 | 72% | 0.722 | S | S | . | * | | | trans | -90.4 | 78.4 | -170.9 | -98.5 | 179.9 | 0 | 0 | 0 | 106.3 | R11 L15 R21 | R11-L13 PolarHBondContact O-N 2.98Å; R11-L13 VanDerWaalsContact O-N 3.1Å; L13-L15 PolarHBondContact O-N 3.23Å; L13-R21 VanDerWaalsContact CA-CZ 3.42Å; L13-R21 HydrophobicContact CB-CB 4.42Å; L13-R21 HydrophobicContact CB-CG 3.92Å; L13-R21 HydrophobicContact CD1-CB 3.88Å; L13-R21 HydrophobicContact CD1-CG 3.73Å; L13-R21 HydrophobicContact CD2-CG 3.9Å; L13-R21 HydrophobicContact CG-CG 3.98Å; L13-R21 VanDerWaalsContact CG-NE 3.31Å; L13-R21 WeakPolarHBondContact O-CD 3.35Å; L13-R21 PolarHBondContact O-NE 2.9Å |
| 14 | T | 41.2 | Very low | 37.6 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 64% | 0.638 | 71% | 0.711 | S | S | * | * | | | trans | -57.6 | 96.1 | 175.6 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | F12 T16 R21 | F12-T14 PolarHBondContact O-N 3.13Å; F12-T14 VanDerWaalsContact O-N 3.13Å; T14-T16 VanDerWaalsContact C-N 3.31Å; T14-T16 PolarHBondContact O-N 3.11Å; T14-R21 VanDerWaalsContact C-CZ 3.43Å; T14-R21 PolarHBondContact O-NH1 3.21Å; T14-R21 PolarHBondContact O-NH2 3.1Å |
| 15 | L | 40.5 | Very low | 37.7 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | | | trans | -62.6 | 75.4 | -179.7 | -68.8 | 153.8 | 0 | 0 | 0 | 112.6 | L13 R21 | L13-L15 PolarHBondContact O-N 3.23Å; L15-R21 HydrophobicContact CD2-CB 4.41Å; L15-R21 HydrophobicContact CD2-CG 4.38Å |
| 16 | T | 39.5 | Very low | 37.8 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 66% | 0.663 | 70% | 0.702 | S | S | * | * | | | trans | -76.7 | 128.2 | 154.6 | 52.4 | 0 | 0 | 0 | 0 | 107.6 | T14 | T14-T16 VanDerWaalsContact C-N 3.31Å; T14-T16 PolarHBondContact O-N 3.11Å |
| 17 | S | 35.5 | Very low | 38.2 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -20.2 | 138.6 | -178.5 | 60.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 18 | S | 32.2 | Very low | 38.4 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 104 | 127 | 178.4 | -41.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 19 | L | 36 | Very low | 38.4 | Very low | 162 Ų | 162 | 125 Ų | 125 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -9.7 | 144.3 | 169.9 | -88.8 | 73.5 | 0 | 0 | 0 | 117.4 | | |
| 20 | S | 33.8 | Very low | 38.5 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | | | trans | 90.1 | 87.8 | 155.2 | -47.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 21 | R | 38.2 | Very low | 38.6 | Very low | 91 Ų | 91 | 125.3 Ų | 125.3 | 34% | 0.343 | 73% | 0.725 | S | S | . | * | | | trans | -127.4 | 105.4 | 150.8 | -81 | 168.1 | 145.6 | 130.2 | 166 | 108.8 | L13 T14 L15 I23 | L13-R21 VanDerWaalsContact CA-CZ 3.42Å; L13-R21 HydrophobicContact CB-CB 4.42Å; L13-R21 HydrophobicContact CB-CG 3.92Å; L13-R21 HydrophobicContact CD1-CB 3.88Å; L13-R21 HydrophobicContact CD1-CG 3.73Å; L13-R21 HydrophobicContact CD2-CG 3.9Å; L13-R21 HydrophobicContact CG-CG 3.98Å; L13-R21 VanDerWaalsContact CG-NE 3.31Å; L13-R21 WeakPolarHBondContact O-CD 3.35Å; L13-R21 PolarHBondContact O-NE 2.9Å; T14-R21 VanDerWaalsContact C-CZ 3.43Å; T14-R21 PolarHBondContact O-NH1 3.21Å; T14-R21 PolarHBondContact O-NH2 3.1Å; L15-R21 HydrophobicContact CD2-CB 4.41Å; L15-R21 HydrophobicContact CD2-CG 4.38Å; R21-I23 PolarHBondContact O-N 3.17Å |
| 22 | E | 36 | Very low | 38.9 | Very low | 177 Ų | 177 | 119.9 Ų | 119.9 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | | | trans | -42.4 | 118 | 179.5 | -64 | 163.8 | 172.1 | 0 | 0 | 111 | K24 | E22-K24 PolarHBondContact O-N 3.34Š|
| 23 | I | 38.2 | Very low | 39 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 67% | 0.672 | 71% | 0.705 | S | S | * | * | | | trans | -78 | 104.5 | 166.1 | -57.6 | 173.8 | 0 | 0 | 0 | 105.5 | R21 C25 V32 | R21-I23 PolarHBondContact O-N 3.17Å; I23-C25 PolarHBondContact O-N 2.86Å; I23-V32 HydrophobicContact CD1-CG2 4.44Å |
| 24 | K | 37.2 | Very low | 39.2 | Very low | 139 Ų | 139 | 119.9 Ų | 119.9 | 60% | 0.604 | 72% | 0.72 | S | S | * | * | | | trans | -70.2 | 107.9 | 176.3 | -157.2 | 172.1 | 175.8 | -168.1 | 0 | 108.2 | E10 E22 S26 | E10-K24 WeakPolarHBondContact OE1-CD 3.5Å; E10-K24 IonicContact OE1-NZ 3.29Å; E10-K24 PolarHBondContact OE1-NZ 3.29Å; E22-K24 PolarHBondContact O-N 3.34Å; K24-S26 PolarHBondContact O-N 2.63Å |
| 25 | C | 35.1 | Very low | 39.3 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | | | trans | -66.7 | 94.1 | 176.7 | -63.6 | 0 | 0 | 0 | 0 | 110.1 | I23 | I23-C25 PolarHBondContact O-N 2.86Š|
| 26 | S | 39.1 | Very low | 39 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | | | trans | -109.4 | 103.4 | 167.3 | 168.5 | 0 | 0 | 0 | 0 | 107.9 | K24 | K24-S26 PolarHBondContact O-N 2.63Š|
| 27 | S | 41.7 | Very low | 39.3 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 17.1 | 103.6 | 157.1 | 58.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 28 | G | 37.2 | Very low | 39.6 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 125.5 | 75.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V30 | G28-V30 PolarHBondContact O-N 3.01Š|
| 29 | G | 38.3 | Very low | 39.9 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | | | trans | -54 | 99.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T31 | G29-T31 PolarHBondContact O-N 3.36Š|
| 30 | V | 44.3 | Very low | 40.2 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | | | trans | -74.3 | 111 | 160.7 | 177.4 | 0 | 0 | 0 | 0 | 106.4 | G28 V32 | G28-V30 PolarHBondContact O-N 3.01Å; V30-V32 PolarHBondContact O-N 3.01Å |
| 31 | T | 44.4 | Very low | 40.3 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | trans | -66.1 | 100.3 | 171 | 37.9 | 0 | 0 | 0 | 0 | 108.6 | G29 T33 | G29-T31 PolarHBondContact O-N 3.36Å; T31-T33 PolarHBondContact O-N 2.92Å |
| 32 | V | 47.5 | Very low | 40.1 | Very low | 101 Ų | 101 | 143 Ų | 143 | 61% | 0.612 | 77% | 0.77 | S | S | * | * | | | trans | -72.9 | 98.5 | 168.8 | -178.4 | 0 | 0 | 0 | 0 | 106.7 | I23 V30 K34 | I23-V32 HydrophobicContact CD1-CG2 4.44Å; V30-V32 PolarHBondContact O-N 3.01Å; V32-K34 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 2.9Å |
| 33 | T | 43.3 | Very low | 40.3 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | | | trans | -61.9 | 98.8 | 167.6 | 35.2 | 0 | 0 | 0 | 0 | 107.9 | T31 W35 | T31-T33 PolarHBondContact O-N 2.92Å; T33-W35 VanDerWaalsContact C-N 3.31Å; T33-W35 PolarHBondContact O-N 3.06Å |
| 34 | K | 44 | Very low | 40.6 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -64.6 | 95.4 | 168.6 | -177.6 | 178.1 | 178.3 | 179.2 | 0 | 106.8 | V32 R36 | V32-K34 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 2.9Å; K34-R36 VanDerWaalsContact C-N 3.31Å; K34-R36 PolarHBondContact O-N 3.35Å |
| 35 | W | 42.4 | Very low | 40.5 | Very low | 230 Ų | 230 | 140.2 Ų | 140.2 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | | | trans | -56.7 | 101.8 | 162.1 | -68.8 | 85.8 | 0 | 0 | 0 | 106.3 | T33 S37 | T33-W35 VanDerWaalsContact C-N 3.31Å; T33-W35 PolarHBondContact O-N 3.06Å; W35-S37 PolarHBondContact O-N 3.17Å; W35-S37 VanDerWaalsContact O-N 3.09Å |
| 36 | R | 35.1 | Very low | 40.7 | Very low | 227 Ų | 227 | 141.9 Ų | 141.9 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | trans | -56 | 117 | 168.8 | -102.5 | -178.1 | 173.5 | 167.7 | -1.3 | 105.5 | K34 E38 | K34-R36 VanDerWaalsContact C-N 3.31Å; K34-R36 PolarHBondContact O-N 3.35Å; R36-E38 PolarHBondContact O-N 3.21Å; R36-E38 VanDerWaalsContact O-N 3.15Å |
| 37 | S | 45 | Very low | 40.5 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | trans | -56.7 | 121 | 168.8 | -57.1 | 0 | 0 | 0 | 0 | 107.4 | W35 Q39 | W35-S37 PolarHBondContact O-N 3.17Å; W35-S37 VanDerWaalsContact O-N 3.09Å; S37-Q39 PolarHBondContact O-N 2.88Å |
| 38 | E | 42.1 | Very low | 40.5 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -59.1 | 65.3 | 171.1 | -168.1 | 178.9 | 156.3 | 0 | 0 | 109.7 | R36 | R36-E38 PolarHBondContact O-N 3.21Å; R36-E38 VanDerWaalsContact O-N 3.15Å |
| 39 | Q | 39.2 | Very low | 40.6 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -137.9 | 8.2 | 175.8 | -76.8 | -152.2 | -53.4 | 0 | 0 | 113.8 | S37 | S37-Q39 PolarHBondContact O-N 2.88Š|
| 40 | D | 42.1 | Very low | 40.8 | Very low | 165 Ų | 165 | 150 Ų | 150 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -108.6 | 17.5 | 164.5 | -79.9 | -40.9 | 0 | 0 | 0 | 112.6 | Q42 | D40-Q42 PolarHBondContact O-N 3.09Š|
| 41 | E | 35.7 | Very low | 40.7 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -91.2 | 60.5 | 156.3 | -70.7 | -158.4 | 158.5 | 0 | 0 | 109.1 | P43 | E41-P43 WeakPolarHBondContact O-CD 3.11Š|
| 42 | Q | 34 | Very low | 40.4 | Very low | 180 Ų | 180 | 148 Ų | 148 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | -65.6 | 116.8 | 147.4 | -106.5 | -160.1 | -27.9 | 0 | 0 | 105.6 | D40 A44 | D40-Q42 PolarHBondContact O-N 3.09Å; Q42-A44 PolarHBondContact O-N 3.36Å |
| 43 | P | 40.9 | Very low | 40.1 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -59.9 | 120.6 | -176.7 | 23.7 | -32.2 | 0 | 0 | 0 | 107.9 | E41 E45 | E41-P43 WeakPolarHBondContact O-CD 3.11Å; P43-E45 PolarHBondContact O-N 3.15Å |
| 44 | A | 43.8 | Very low | 40 | Very low | 83 Ų | 83 | 157.6 Ų | 157.6 | 69% | 0.686 | 81% | 0.814 | S | S | * | * | | | trans | -43.1 | 119.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q42 L46 | Q42-A44 PolarHBondContact O-N 3.36Å; A44-L46 PolarHBondContact O-N 2.72Å |
| 45 | E | 36.4 | Very low | 39.5 | Very low | 194 Ų | 194 | 152 Ų | 152 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -58.2 | 81.8 | 176.8 | -70.5 | -179.3 | 139.5 | 0 | 0 | 110 | P43 | P43-E45 PolarHBondContact O-N 3.15Š|
| 46 | L | 38.4 | Very low | 39.6 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | -135.6 | 59.8 | 171.1 | -71.3 | 178.8 | 0 | 0 | 0 | 108.9 | A44 | A44-L46 PolarHBondContact O-N 2.72Š|
| 47 | S | 34.3 | Very low | 40.1 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -159.2 | 95.3 | 149.1 | -162.7 | 0 | 0 | 0 | 0 | 110.4 | V49 | S47-V49 PolarHBondContact O-N 2.77Š|
| 48 | K | 41.7 | Very low | 40.1 | Very low | 216 Ų | 216 | 144.7 Ų | 144.7 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | | | trans | -63.5 | 80.7 | 162.9 | -72.6 | 174.7 | 175.9 | 175.5 | 0 | 109.2 | | |
| 49 | V | 39.5 | Very low | 40.3 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 70% | 0.697 | 81% | 0.81 | S | S | * | * | | | trans | -143.4 | 94.4 | 161.5 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | S47 A51 | S47-V49 PolarHBondContact O-N 2.77Å; V49-A51 PolarHBondContact O-N 2.73Å |
| 50 | A | 41.8 | Very low | 40.8 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | 38.6 | 80.4 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 51 | A | 42.7 | Very low | 41.3 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -129.9 | 51.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V49 R53 | V49-A51 PolarHBondContact O-N 2.73Å; A51-R53 PolarHBondContact O-N 3.1Å |
| 52 | S | 38.3 | Very low | 42.1 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | -70.2 | 75.1 | 165.9 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 53 | R | 40.8 | Very low | 42.7 | Very low | 239 Ų | 239 | 139 Ų | 139 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | trans | -143.1 | 72 | 152.8 | -72.3 | -166.3 | 178.7 | 168.1 | -0.1 | 108 | A51 G55 | A51-R53 PolarHBondContact O-N 3.1Å; R53-G55 PolarHBondContact O-N 3.23Å |
| 54 | L | 42 | Very low | 43.3 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -59.6 | 89.1 | 163.3 | -93.8 | 87 | 0 | 0 | 0 | 108.7 | | |
| 55 | G | 33.5 | Very low | 43.4 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -113.8 | 52.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | R53 A57 | R53-G55 PolarHBondContact O-N 3.23Å; G55-A57 PolarHBondContact O-N 3.28Å |
| 56 | S | 44 | Very low | 44.1 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -74.2 | 99.2 | 178.7 | -163.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 57 | A | 47 | Very low | 44.6 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | trans | -56 | 131.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G55 K59 | G55-A57 PolarHBondContact O-N 3.28Å; A57-K59 PolarHBondContact O-N 3Å |
| 58 | K | 43.1 | Very low | 45.2 | Very low | 205 Ų | 205 | 136 Ų | 136 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | | | trans | -53.9 | 112.5 | 168.4 | -69.4 | 175.7 | 178.4 | 175.8 | 0 | 108.2 | S60 | K58-S60 PolarHBondContact O-N 3.03Š|
| 59 | K | 47.5 | Very low | 45.7 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -68.1 | 96.4 | 174.4 | -64.4 | 179.3 | 178.8 | 179.6 | 0 | 108.4 | A57 | A57-K59 PolarHBondContact O-N 3Š|
| 60 | S | 49.6 | Very low | 46.5 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -81.4 | 114.4 | 168.1 | 50.8 | 0 | 0 | 0 | 0 | 109.2 | K58 T62 | K58-S60 PolarHBondContact O-N 3.03Å; S60-T62 PolarHBondContact O-N 3.38Å |
| 61 | V | 52.1 | Low | 46.9 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -79.6 | 100.5 | 174.9 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | K63 | V61-K63 PolarHBondContact O-N 3.07Š|
| 62 | T | 52.3 | Low | 47.5 | Very low | 116 Ų | 116 | 144 Ų | 144 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | | | trans | -80.2 | 108.6 | 172.7 | -50.3 | 0 | 0 | 0 | 0 | 108.9 | S60 I64 | S60-T62 PolarHBondContact O-N 3.38Å; T62-I64 PolarHBondContact O-N 3.09Å |
| 63 | K | 46.3 | Very low | 48 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -72.5 | 105.4 | 172.1 | -65.5 | 179.6 | -178.7 | 178.6 | 0 | 108.6 | V61 S65 | V61-K63 PolarHBondContact O-N 3.07Å; K63-S65 PolarHBondContact O-N 3.03Å |
| 64 | I | 53.7 | Low | 48.6 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -81.4 | 103.9 | 170.4 | 8.5 | 173.5 | 0 | 0 | 0 | 107.8 | T62 | T62-I64 PolarHBondContact O-N 3.09Š|
| 65 | S | 46.8 | Very low | 48.9 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -69.2 | 130.7 | 170.1 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | K63 A67 | K63-S65 PolarHBondContact O-N 3.03Å; S65-A67 PolarHBondContact O-N 2.9Å; S65-A67 VanDerWaalsContact O-N 3.17Å |
| 66 | S | 51.4 | Low | 49.4 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -78.7 | 14 | -175.9 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 67 | A | 48.8 | Very low | 49.6 | Very low | 69 Ų | 69 | 140.8 Ų | 140.8 | 57% | 0.57 | 77% | 0.771 | S | S | * | * | | | trans | -80 | 124 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S65 | S65-A67 PolarHBondContact O-N 2.9Å; S65-A67 VanDerWaalsContact O-N 3.17Å |
| 68 | D | 47.2 | Very low | 49.3 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | trans | 80.2 | 79 | -178.3 | -47.1 | -24.8 | 0 | 0 | 0 | 113.9 | K70 | D68-K70 HydrophobicContact CB-CG 4.17Å; D68-K70 PolarHBondContact O-N 3.04Å |
| 69 | K | 51.4 | Low | 49.3 | Very low | 208 Ų | 208 | 140 Ų | 140 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | | | trans | -59.9 | 74.8 | 151.6 | -65.6 | -178.8 | 179.6 | -176.8 | 0 | 108.5 | E71 | K69-E71 PolarHBondContact O-N 2.98Å; K69-E71 VanDerWaalsContact O-N 3.1Å |
| 70 | K | 55.2 | Low | 48.9 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | trans | -68.7 | 106.1 | 163.8 | -68.5 | -172.8 | -179.6 | -178.7 | 0 | 105.4 | D68 I72 | D68-K70 HydrophobicContact CB-CG 4.17Å; D68-K70 PolarHBondContact O-N 3.04Å; K70-I72 PolarHBondContact O-N 2.71Å; K70-I72 VanDerWaalsContact O-N 3.09Å |
| 71 | E | 50.6 | Low | 48.4 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | trans | -45.2 | 115.5 | 170.4 | -172 | 171.8 | -177.4 | 0 | 0 | 108.4 | K69 T73 | K69-E71 PolarHBondContact O-N 2.98Å; K69-E71 VanDerWaalsContact O-N 3.1Å; E71-T73 PolarHBondContact O-N 3.09Å |
| 72 | I | 55.2 | Low | 48.1 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -75.8 | 81.8 | 176.3 | -54.9 | 172.7 | 0 | 0 | 0 | 105.4 | K70 M74 | K70-I72 PolarHBondContact O-N 2.71Å; K70-I72 VanDerWaalsContact O-N 3.09Å; I72-M74 HydrophobicContact CG2-SD 4.35Å; I72-M74 PolarHBondContact O-N 2.88Å; I72-M74 VanDerWaalsContact O-N 3.09Å |
| 73 | T | 49.4 | Very low | 47.8 | Very low | 110 Ų | 110 | 140 Ų | 140 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | trans | -71.5 | 102.4 | 170.4 | -50.2 | 0 | 0 | 0 | 0 | 107.2 | E71 A75 | E71-T73 PolarHBondContact O-N 3.09Å; T73-A75 VanDerWaalsContact C-N 3.32Å; T73-A75 PolarHBondContact O-N 2.83Å |
| 74 | M | 52.7 | Low | 47.4 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | | | trans | -66 | 92.5 | 171.3 | -66.1 | -76.1 | -73.3 | 0 | 0 | 108.1 | I72 T76 | I72-M74 HydrophobicContact CG2-SD 4.35Å; I72-M74 PolarHBondContact O-N 2.88Å; I72-M74 VanDerWaalsContact O-N 3.09Å; M74-T76 PolarHBondContact O-N 2.89Å |
| 75 | A | 48.4 | Very low | 46.8 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | -64.9 | 104.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | T73 D77 | T73-A75 VanDerWaalsContact C-N 3.32Å; T73-A75 PolarHBondContact O-N 2.83Å; A75-D77 VanDerWaalsContact C-N 3.26Å; A75-D77 PolarHBondContact O-N 3.02Å; A75-D77 VanDerWaalsContact O-N 3.1Å |
| 76 | T | 45.4 | Very low | 46.5 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -81.2 | 80.9 | 170.4 | -55.3 | 0 | 0 | 0 | 0 | 106.7 | M74 Q78 | M74-T76 PolarHBondContact O-N 2.89Å; T76-Q78 PolarHBondContact O-N 2.91Å |
| 77 | D | 46.6 | Very low | 46.1 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -74.1 | 127.6 | 178.7 | -154.6 | 2.2 | 0 | 0 | 0 | 109.8 | A75 | A75-D77 VanDerWaalsContact C-N 3.26Å; A75-D77 PolarHBondContact O-N 3.02Å; A75-D77 VanDerWaalsContact O-N 3.1Å |
| 78 | Q | 41.6 | Very low | 46 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | -70.7 | 129.5 | -173.9 | -79.2 | -93.7 | -2.6 | 0 | 0 | 110.1 | T76 G80 | T76-Q78 PolarHBondContact O-N 2.91Å; Q78-G80 PolarHBondContact O-N 3.43Å |
| 79 | A | 43.2 | Very low | 45.9 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -4.9 | 90.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 80 | G | 38.7 | Very low | 45.7 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | trans | -130 | 80.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q78 | Q78-G80 PolarHBondContact O-N 3.43Š|
| 81 | R | 39.2 | Very low | 45.2 | Very low | 235 Ų | 235 | 135.6 Ų | 135.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | | | trans | 36.2 | 115.4 | 161.5 | -149 | 174.7 | -171.5 | -161.1 | 2 | 118.5 | | |
| 82 | P | 46 | Very low | 45 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -63.2 | 139.6 | -174.6 | 25.6 | -34 | 0 | 0 | 0 | 113 | S84 | P82-S84 PolarHBondContact O-N 3.38Š|
| 83 | P | 45.9 | Very low | 44.6 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -64 | 120 | 175.7 | 25.2 | -32 | 0 | 0 | 0 | 110.3 | K85 | P83-K85 PolarHBondContact O-N 3.37Å; P83-K85 VanDerWaalsContact O-N 3.1Å |
| 84 | S | 39 | Very low | 44.4 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -60.5 | 109.5 | 162.3 | 57.1 | 0 | 0 | 0 | 0 | 109 | P82 | P82-S84 PolarHBondContact O-N 3.38Š|
| 85 | K | 40 | Very low | 44.2 | Very low | 188 Ų | 188 | 132 Ų | 132 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | | | | 170.1 | 130.1 | 122.2 | -89.6 | 166.4 | -176.8 | -176.8 | 0 | 111.5 | P83 | P83-K85 PolarHBondContact O-N 3.37Å; P83-K85 VanDerWaalsContact O-N 3.1Å |
| 86 | S | 41.6 | Very low | 43.9 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | 66.9 | 83.4 | 151 | 46.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 87 | S | 42.9 | Very low | 43.7 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | 53 | 82.2 | 135.1 | 72.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 88 | S | 45.2 | Very low | 44 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | trans | -115 | 124.6 | 142 | 56.7 | 0 | 0 | 0 | 0 | 108.1 | D90 | S88-D90 PolarHBondContact O-N 3.26Å; S88-D90 VanDerWaalsContact O-N 3.12Å |
| 89 | S | 45.6 | Very low | 44.3 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | -65.2 | 102.3 | 179.1 | 49.9 | 0 | 0 | 0 | 0 | 110.6 | F91 | S89-F91 PolarHBondContact O-N 3.44Š|
| 90 | D | 47.7 | Very low | 44.7 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | -75 | 104.9 | 175.4 | -69.3 | -38.2 | 0 | 0 | 0 | 110.4 | S88 S92 | S88-D90 PolarHBondContact O-N 3.26Å; S88-D90 VanDerWaalsContact O-N 3.12Å; D90-S92 PolarHBondContact O-N 2.88Å; D90-S92 VanDerWaalsContact O-N 3.11Å |
| 91 | F | 44.2 | Very low | 45.2 | Very low | 189 Ų | 189 | 125.7 Ų | 125.7 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | | | trans | -63.6 | 96.9 | 158.3 | -90.1 | -97.7 | 0 | 0 | 0 | 108.5 | S89 S93 | S89-F91 PolarHBondContact O-N 3.44Å; F91-S93 PolarHBondContact O-N 3.48Å |
| 92 | S | 45.5 | Very low | 45.1 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | | | trans | -94.4 | 88.5 | 165.4 | -153 | 0 | 0 | 0 | 0 | 109.1 | D90 N94 | D90-S92 PolarHBondContact O-N 2.88Å; D90-S92 VanDerWaalsContact O-N 3.11Å; S92-N94 PolarHBondContact O-N 3.47Å; S92-N94 VanDerWaalsContact O-N 3.13Å |
| 93 | S | 47.1 | Very low | 45.3 | Very low | 83 Ų | 83 | 129 Ų | 129 | 58% | 0.58 | 74% | 0.737 | S | S | * | * | | | trans | -58.9 | 107.7 | 170.1 | -44.9 | 0 | 0 | 0 | 0 | 109.4 | F91 L95 | F91-S93 PolarHBondContact O-N 3.48Å; S93-L95 PolarHBondContact O-N 3.48Å |
| 94 | N | 45.3 | Very low | 45.7 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | | | trans | -67.7 | 72.3 | 160.8 | -85.2 | -46 | 0 | 0 | 0 | 109 | S92 G96 | S92-N94 PolarHBondContact O-N 3.47Å; S92-N94 VanDerWaalsContact O-N 3.13Å; N94-G96 VanDerWaalsContact C-N 3.31Å; N94-G96 PolarHBondContact O-N 3.1Å |
| 95 | L | 48.5 | Very low | 46.3 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | | | trans | -87.3 | 83.4 | 166 | -72 | 169 | 0 | 0 | 0 | 107 | S93 S97 | S93-L95 PolarHBondContact O-N 3.48Å; L95-S97 PolarHBondContact O-N 3.44Å |
| 96 | G | 43.2 | Very low | 46.7 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | | | trans | -47.7 | 136 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | N94 | N94-G96 VanDerWaalsContact C-N 3.31Å; N94-G96 PolarHBondContact O-N 3.1Å |
| 97 | S | 40.3 | Very low | 47.1 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 48% | 0.483 | 72% | 0.715 | S | S | . | * | | | trans | -36.9 | 128.5 | -165.3 | -174.7 | 0 | 0 | 0 | 0 | 115.3 | L95 E99 | L95-S97 PolarHBondContact O-N 3.44Å; S97-E99 PolarHBondContact O-N 3.05Å; S97-E99 PolarHBondContact OG-N 3.04Å |
| 98 | P | 52.3 | Low | 47.4 | Very low | 95 Ų | 95 | 134 Ų | 134 | 62% | 0.617 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -64.7 | -6.4 | 176 | 25.8 | -33.2 | 0 | 0 | 0 | 114 | T100 S101 | P98-T100 VanDerWaalsContact C-N 3.34Å; P98-T100 PolarHBondContact O-N 3.43Å; P98-S101 PolarHBondContact O-N 2.84Å |
| 99 | E | 48.3 | Very low | 47.6 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 73% | 0.729 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -68.9 | -28.6 | -173.1 | -128.7 | 163.3 | 175.2 | 0 | 0 | 113.6 | S97 | S97-E99 PolarHBondContact O-N 3.05Å; S97-E99 PolarHBondContact OG-N 3.04Å |
| 100 | T | 52.2 | Low | 47.8 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 69% | 0.693 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -78.7 | -23.6 | -178.9 | -20.3 | 0 | 0 | 0 | 0 | 113.2 | P98 | P98-T100 VanDerWaalsContact C-N 3.34Å; P98-T100 PolarHBondContact O-N 3.43Å |
| 101 | S | 49.7 | Very low | 47.8 | Very low | 84 Ų | 84 | 146.4 Ų | 146.4 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -71 | -36.5 | -175.7 | 178.7 | 0 | 0 | 0 | 0 | 112.8 | P98 R103 M104 | P98-S101 PolarHBondContact O-N 2.84Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.13Å; S101-M104 PolarHBondContact O-N 3.24Å |
| 102 | W | 36.6 | Very low | 47.7 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 76% | 0.761 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -66 | -27.3 | -175.4 | -66.5 | 97.5 | 0 | 0 | 0 | 113.8 | | |
| 103 | R | 51 | Low | 47.7 | Very low | 219 Ų | 219 | 139.4 Ų | 139.4 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -71.7 | -34.9 | -179.6 | -77.9 | -171.9 | 173.2 | 178 | -0.5 | 113.1 | S101 | S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.13Å |
| 104 | M | 52.9 | Low | 47.7 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -78.9 | -25.6 | -178.1 | -70.2 | -73.6 | -121.3 | 0 | 0 | 113.4 | S101 R106 | S101-M104 PolarHBondContact O-N 3.24Å; M104-R106 VanDerWaalsContact C-N 3.32Å; M104-R106 PolarHBondContact O-N 3.41Å |
| 105 | A | 52.2 | Low | 47.8 | Very low | 51 Ų | 51 | 141.1 Ų | 141.1 | 42% | 0.421 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -73.6 | -22.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 106 | R | 48.7 | Very low | 47.5 | Very low | 215 Ų | 215 | 138.4 Ų | 138.4 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -25 | -176.1 | -154 | 175.3 | -170.7 | -177.8 | 2.5 | 113.1 | M104 | M104-R106 VanDerWaalsContact C-N 3.32Å; M104-R106 PolarHBondContact O-N 3.41Å |
| 107 | E | 49.4 | Very low | 47.8 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -81 | -25.5 | -172.6 | -145.6 | 172.4 | -165.6 | 0 | 0 | 113.1 | R109 | E107-R109 PolarHBondContact O-N 3.19Š|
| 108 | K | 49.4 | Very low | 48 | Very low | 189 Ų | 189 | 150.9 Ų | 150.9 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -84 | -6.2 | -175.9 | -70.7 | -167.6 | 177.4 | -176.5 | 0 | 115.8 | | |
| 109 | R | 50.2 | Low | 47.5 | Very low | 208 Ų | 208 | 153.9 Ų | 153.9 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -92.3 | -3.3 | -174.9 | -72.8 | -172.2 | 178.3 | 131.8 | -3.6 | 115.6 | E107 | E107-R109 PolarHBondContact O-N 3.19Š|
| 110 | L | 48.6 | Very low | 47.4 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -91.4 | 4.2 | -177.5 | -73.6 | 168.9 | 0 | 0 | 0 | 115.3 | | |
| 111 | R | 48.3 | Very low | 47 | Very low | 249 Ų | 249 | 158.1 Ų | 158.1 | 94% | 0.94 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -115.9 | 12.6 | 179.8 | -93.4 | -173 | -174.1 | -105.1 | 2.4 | 115.6 | | |
| 112 | G | 43.3 | Very low | 46.6 | Very low | 58 Ų | 58 | 162.7 Ų | 162.7 | 60% | 0.598 | 76% | 0.759 | S | S | * | * | | | trans | -116.5 | 62.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D114 | G112-D114 PolarHBondContact O-N 3.22Š|
| 113 | S | 44.6 | Very low | 47 | Very low | 96 Ų | 96 | 158 Ų | 158 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | trans | -72.6 | 61.4 | 169.8 | -54.2 | 0 | 0 | 0 | 0 | 110 | I115 | S113-I115 PolarHBondContact O-N 3.1Š|
| 114 | D | 45.9 | Very low | 46.4 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | | | trans | -79 | 69.4 | 159.3 | -72.3 | -50.6 | 0 | 0 | 0 | 106.8 | G112 P116 | G112-D114 PolarHBondContact O-N 3.22Å; D114-P116 WeakPolarHBondContact O-CD 3.36Å |
| 115 | I | 47.5 | Very low | 45.8 | Very low | 131 Ų | 131 | 154.2 Ų | 154.2 | 67% | 0.672 | 77% | 0.771 | S | S | * | * | | | trans | -69 | 108.2 | 167.6 | -63.1 | 169.1 | 0 | 0 | 0 | 104.7 | S113 R117 | S113-I115 PolarHBondContact O-N 3.1Å; I115-R117 PolarHBondContact O-N 3.11Å |
| 116 | P | 42.9 | Very low | 45.5 | Very low | 93 Ų | 93 | 163.8 Ų | 163.8 | 60% | 0.604 | 80% | 0.797 | S | S | * | * | | | trans | -62.5 | 129.1 | 179.6 | 26 | -31.8 | 0 | 0 | 0 | 108 | D114 E118 | D114-P116 WeakPolarHBondContact O-CD 3.36Å; P116-E118 PolarHBondContact O-N 3.12Å |
| 117 | R | 48.9 | Very low | 44.9 | Very low | 223 Ų | 223 | 156.8 Ų | 156.8 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -59.2 | 11.8 | -179.1 | -116.5 | -179.7 | -176.9 | 175.1 | 1 | 115.1 | I115 | I115-R117 PolarHBondContact O-N 3.11Š|
| 118 | E | 44.4 | Very low | 44.5 | Very low | 177 Ų | 177 | 154.8 Ų | 154.8 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -91.1 | 9.6 | -176.2 | -61.6 | -158.9 | 159.8 | 0 | 0 | 114 | P116 | P116-E118 PolarHBondContact O-N 3.12Š|
| 119 | L | 42.4 | Very low | 44.2 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -99.4 | 10.2 | 172.4 | -79.2 | 169.8 | 0 | 0 | 0 | 114.5 | | |
| 120 | E | 47.1 | Very low | 43.7 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -97.3 | 37.3 | 175.3 | -73.2 | -170.1 | 169.5 | 0 | 0 | 113.4 | | |
| 121 | Y | 42.4 | Very low | 43.5 | Very low | 203 Ų | 203 | 153.9 Ų | 153.9 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -146.9 | 77.5 | 172.2 | -70.3 | -79.5 | 0 | 0 | 0 | 111.6 | | |
| 122 | L | 42.3 | Very low | 43.2 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 179.2 | 58.8 | 153.6 | -98.3 | 146.7 | 0 | 0 | 0 | 110.7 | | |
| 123 | A | 45.3 | Very low | 43.2 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | | | trans | -140.6 | 38 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 124 | C | 37.7 | Very low | 43.1 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -128.9 | 130.5 | 164.3 | -70.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 125 | D | 40.8 | Very low | 42.9 | Very low | 160 Ų | 160 | 157.4 Ų | 157.4 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | | | trans | 95.8 | 67.6 | 159.5 | -132.1 | 14.5 | 0 | 0 | 0 | 119.2 | | |
| 126 | R | 44.6 | Very low | 42.6 | Very low | 253 Ų | 253 | 159.2 Ų | 159.2 | 96% | 0.955 | 84% | 0.841 | S | S | * | * | | | trans | -147.8 | 106 | 133.8 | -68.7 | -168.8 | -177.1 | 171 | 0.3 | 105.7 | | |
| 127 | G | 37.5 | Very low | 42.6 | Very low | 67 Ų | 67 | 163.9 Ų | 163.9 | 69% | 0.691 | 86% | 0.858 | S | S | * | * | | | cis | 104.3 | 95.3 | 46.4 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 128 | S | 41.5 | Very low | 42.1 | Very low | 115 Ų | 115 | 159.4 Ų | 159.4 | 80% | 0.804 | 86% | 0.859 | S | S | * | * | | | trans | 42.8 | 91 | 149.6 | -159.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 129 | A | 41.4 | Very low | 42 | Very low | 106 Ų | 106 | 157.9 Ų | 157.9 | 88% | 0.876 | 86% | 0.862 | S | S | * | * | | | trans | -93 | 117.4 | 144.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 130 | K | 40.5 | Very low | 41.9 | Very low | 270 Ų | 270 | 157.8 Ų | 157.8 | 100% | 1.174 | 87% | 0.865 | S | S | * | * | | | trans | -55.3 | 0 | 174.4 | -70.5 | 173.4 | 173 | 177.8 | 0 | 112.9 | | |