| 1 | M | 56.4 | Low | 62.4 | Low | 226 Ų | 226 | 154.5 Ų | 154.5 | 100% | 1.113 | 86% | 0.86 | S | S | * | * | | | | 0 | 117.3 | 0 | -63.7 | -64.8 | -76 | 0 | 0 | 107.1 | | |
| 2 | P | 68.5 | Low | 60.8 | Low | 131 Ų | 131 | 156.3 Ų | 156.3 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 144.6 | 174.5 | 27.3 | -24.2 | 0 | 0 | 0 | 110.2 | | |
| 3 | L | 67 | Low | 60.5 | Low | 164 Ų | 164 | 152.8 Ų | 152.8 | 86% | 0.859 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 153.3 | 177.7 | -81 | 162.9 | 0 | 0 | 0 | 111.1 | | |
| 4 | P | 69.6 | Low | 59.8 | Low | 119 Ų | 119 | 150.6 Ų | 150.6 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -69 | 141.3 | 177.1 | -11 | 26.4 | 0 | 0 | 0 | 111.7 | | |
| 5 | E | 72.8 | Confident | 59.3 | Low | 185 Ų | 185 | 153.5 Ų | 153.5 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -67 | 142.9 | 169.9 | -65.9 | 179.2 | 164 | 0 | 0 | 110.7 | S7 | E5-S7 PolarHBondContact O-N 2.86Š|
| 6 | P | 60 | Low | 58.9 | Low | 121 Ų | 121 | 150.1 Ų | 150.1 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | | | trans | -73.9 | 114.7 | 170.7 | 29.3 | -29.3 | 0 | 0 | 0 | 109 | E8 | P6-E8 PolarHBondContact O-N 3.06Š|
| 7 | S | 61.3 | Low | 58.6 | Low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | | | trans | -51 | 125.6 | 170.7 | -174.9 | 0 | 0 | 0 | 0 | 110 | E5 Q9 | E5-S7 PolarHBondContact O-N 2.86Å; S7-Q9 PolarHBondContact O-N 2.61Å |
| 8 | E | 62.8 | Low | 58.1 | Low | 180 Ų | 180 | 147 Ų | 147 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | | | trans | -55.1 | 124 | 180 | -65.5 | 173.9 | 108.7 | 0 | 0 | 110.5 | P6 E10 | P6-E8 PolarHBondContact O-N 3.06Å; E8-E10 PolarHBondContact O-N 2.85Å; E8-E10 VanDerWaalsContact O-N 3.15Å |
| 9 | Q | 59.4 | Low | 57.9 | Low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | | | trans | -73.7 | 88.6 | 174.2 | 178 | -174.6 | 0.5 | 0 | 0 | 108.4 | S7 | S7-Q9 PolarHBondContact O-N 2.61Š|
| 10 | E | 56.3 | Low | 58 | Low | 191 Ų | 191 | 147.4 Ų | 147.4 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | | | trans | -127 | 87.5 | 163.1 | -81.1 | -158 | 99.4 | 0 | 0 | 110.2 | E8 | E8-E10 PolarHBondContact O-N 2.85Å; E8-E10 VanDerWaalsContact O-N 3.15Å |
| 11 | G | 52.2 | Low | 57.9 | Low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | | | trans | -132.9 | 78.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 12 | E | 43.1 | Very low | 58.1 | Low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | 5.6 | 112.3 | 160.6 | -158.5 | 171.2 | 135.5 | 0 | 0 | 117.1 | V14 | E12-V14 PolarHBondContact O-N 3.45Š|
| 13 | S | 56.9 | Low | 57.8 | Low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -64.4 | 106.7 | 167.6 | 160 | 0 | 0 | 0 | 0 | 111 | | |
| 14 | V | 50.8 | Low | 57.4 | Low | 121 Ų | 121 | 139.7 Ų | 139.7 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | | | trans | -101.2 | 92.7 | 154.5 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | E12 | E12-V14 PolarHBondContact O-N 3.45Š|
| 15 | K | 51.8 | Low | 57 | Low | 194 Ų | 194 | 136.8 Ų | 136.8 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -74.6 | 123.9 | 152 | -96.9 | -166.1 | 174.7 | -175.9 | 0 | 107.6 | | |
| 16 | A | 53.9 | Low | 56.2 | Low | 100 Ų | 100 | 133.7 Ų | 133.7 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | 138.3 | 128.2 | 133.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 17 | G | 53.7 | Low | 55.9 | Low | 73 Ų | 73 | 136.1 Ų | 136.1 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | 145.4 | 68.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 18 | Q | 49.6 | Very low | 56 | Low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | trans | 58.4 | 96.5 | 137.6 | -144.2 | -172 | 64.4 | 0 | 0 | 115.7 | | |
| 19 | E | 53.6 | Low | 55.8 | Low | 182 Ų | 182 | 131.6 Ų | 131.6 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | | | trans | -46.2 | 132.7 | 143.2 | -86.5 | -168.4 | 97.6 | 0 | 0 | 107.5 | S21 | E19-S21 PolarHBondContact O-N 2.9Š|
| 20 | P | 59.8 | Low | 55.9 | Low | 119 Ų | 119 | 127.8 Ų | 127.8 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -53.8 | 116.1 | 173 | 21.7 | -30.2 | 0 | 0 | 0 | 107.7 | | |
| 21 | S | 56.8 | Low | 56.6 | Low | 77 Ų | 77 | 122.9 Ų | 122.9 | 54% | 0.538 | 75% | 0.75 | S | S | . | * | | | trans | -38.8 | 137.2 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | E19 E23 | E19-S21 PolarHBondContact O-N 2.9Å; S21-E23 PolarHBondContact O-N 3.07Å |
| 22 | P | 60.3 | Low | 57.6 | Low | 117 Ų | 117 | 123.1 Ų | 123.1 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | | | trans | -53.2 | 117.5 | 161.1 | -1.1 | 8 | 0 | 0 | 0 | 105.9 | P24 | P22-P24 WeakPolarHBondContact O-CD 3.43Å; P22-P24 VanDerWaalsContact O-N 3.16Å |
| 23 | E | 61.4 | Low | 58.9 | Low | 182 Ų | 182 | 121.1 Ų | 121.1 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | trans | -54.8 | 125.9 | 175.9 | -68.3 | -163 | 135.2 | 0 | 0 | 107.5 | S21 G25 | S21-E23 PolarHBondContact O-N 3.07Å; E23-G25 PolarHBondContact O-N 2.89Å |
| 24 | P | 59.9 | Low | 59.7 | Low | 132 Ų | 132 | 126.9 Ų | 126.9 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | trans | -75.4 | 72.5 | 174.7 | 27 | -26.5 | 0 | 0 | 0 | 108.3 | P22 | P22-P24 WeakPolarHBondContact O-CD 3.43Å; P22-P24 VanDerWaalsContact O-N 3.16Å |
| 25 | G | 61 | Low | 60.8 | Low | 57 Ų | 57 | 130.4 Ų | 130.4 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -118.7 | 76.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | E23 | E23-G25 PolarHBondContact O-N 2.89Š|
| 26 | T | 55.4 | Low | 61.8 | Low | 120 Ų | 120 | 126 Ų | 126 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | trans | 81.5 | 82.3 | -179.4 | -17 | 0 | 0 | 0 | 0 | 113.8 | V28 | T26-V28 HydrophobicContact CG2-CG2 3.64Å; T26-V28 PolarHBondContact O-N 3.02Å |
| 27 | E | 54 | Low | 62.6 | Low | 173 Ų | 173 | 133.1 Ų | 133.1 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | | | trans | -57.3 | 89.4 | 145.1 | -174.1 | -166.3 | -175.1 | 0 | 0 | 106.5 | V29 | E27-V29 HydrophobicContact CG-CG2 3.86Å; E27-V29 PolarHBondContact O-N 3.37Å |
| 28 | V | 62.7 | Low | 63.5 | Low | 113 Ų | 113 | 138.2 Ų | 138.2 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | | | trans | -71.6 | 82.4 | 166.4 | -179.4 | 0 | 0 | 0 | 0 | 104.9 | T26 P30 | T26-V28 HydrophobicContact CG2-CG2 3.64Å; T26-V28 PolarHBondContact O-N 3.02Å; V28-P30 WeakPolarHBondContact O-CD 3.49Å |
| 29 | V | 60 | Low | 64.3 | Low | 89 Ų | 89 | 138.7 Ų | 138.7 | 54% | 0.539 | 76% | 0.755 | S | S | . | * | | | trans | -52.8 | 115.4 | 162.8 | 178.5 | 0 | 0 | 0 | 0 | 104.8 | E27 A31 | E27-V29 HydrophobicContact CG-CG2 3.86Å; E27-V29 PolarHBondContact O-N 3.37Å; V29-A31 PolarHBondContact O-N 2.81Å |
| 30 | P | 60.9 | Low | 64.7 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | -60.3 | 108.7 | 173.3 | -17 | 30.1 | 0 | 0 | 0 | 105.5 | V28 A32 | V28-P30 WeakPolarHBondContact O-CD 3.49Å; P30-A32 PolarHBondContact O-N 3.08Å |
| 31 | A | 71.1 | Confident | 65 | Low | 87 Ų | 87 | 137.3 Ų | 137.3 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | | | trans | -55.7 | 116.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | V29 | V29-A31 PolarHBondContact O-N 2.81Š|
| 32 | A | 72.3 | Confident | 65.1 | Low | 79 Ų | 79 | 141 Ų | 141 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | | | trans | -48.5 | 129.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | P30 R34 | P30-A32 PolarHBondContact O-N 3.08Å; A32-R34 PolarHBondContact O-N 3.23Å |
| 33 | P | 70.6 | Confident | 65.4 | Low | 134 Ų | 134 | 140.4 Ų | 140.4 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | | | trans | -54.3 | 106.8 | -173.5 | -26.8 | 33.3 | 0 | 0 | 0 | 110.6 | K35 | P33-K35 PolarHBondContact O-N 3.35Š|
| 34 | R | 74.9 | Confident | 65.3 | Low | 232 Ų | 232 | 138.8 Ų | 138.8 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 123.9 | 178.8 | -69.9 | -175.9 | 169.9 | -170.2 | -2.7 | 107.6 | A32 P36 | A32-R34 PolarHBondContact O-N 3.23Å; R34-P36 VanDerWaalsContact O-CD 3.3Å; R34-P36 WeakPolarHBondContact O-CD 3.3Å; R34-P36 VanDerWaalsContact O-N 3.1Å |
| 35 | K | 73.8 | Confident | 65.3 | Low | 195 Ų | 195 | 140.3 Ų | 140.3 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 118 | 170.4 | -72.5 | -177 | -179.7 | 179.8 | 0 | 108.3 | P33 R37 | P33-K35 PolarHBondContact O-N 3.35Å; K35-R37 PolarHBondContact O-N 2.84Å; K35-R37 VanDerWaalsContact O-N 3.08Å |
| 36 | P | 71.8 | Confident | 65.1 | Low | 103 Ų | 103 | 142.3 Ų | 142.3 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64 | 116.8 | 177.1 | 24.5 | -30.9 | 0 | 0 | 0 | 107.9 | R34 K38 | R34-P36 VanDerWaalsContact O-CD 3.3Å; R34-P36 WeakPolarHBondContact O-CD 3.3Å; R34-P36 VanDerWaalsContact O-N 3.1Å; P36-K38 PolarHBondContact O-N 3.44Å |
| 37 | R | 71.3 | Confident | 65.3 | Low | 249 Ų | 249 | 141.7 Ų | 141.7 | 94% | 0.94 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -58.7 | -22.3 | -177.8 | -80 | -177.1 | 162.8 | -161.9 | -5.1 | 113.2 | K35 | K35-R37 PolarHBondContact O-N 2.84Å; K35-R37 VanDerWaalsContact O-N 3.08Å |
| 38 | K | 73.3 | Confident | 65.3 | Low | 179 Ų | 179 | 137.2 Ų | 137.2 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -149.9 | 125.3 | 172.6 | -35.3 | 177.9 | -170.3 | -173.5 | 0 | 102.3 | P36 S40 | P36-K38 PolarHBondContact O-N 3.44Å; K38-S40 PolarHBondContact O-N 2.75Å |
| 39 | F | 65.4 | Low | 65.1 | Low | 182 Ų | 182 | 140.9 Ų | 140.9 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | | | trans | -55.1 | 110 | 164.6 | 46.7 | -84.6 | 0 | 0 | 0 | 105.5 | K41 | F39-K41 PolarHBondContact O-N 2.82Š|
| 40 | S | 63.1 | Low | 64.9 | Low | 85 Ų | 85 | 142.9 Ų | 142.9 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | | | trans | -55.6 | 142.4 | 155.2 | 54.4 | 0 | 0 | 0 | 0 | 104.5 | K38 L42 | K38-S40 PolarHBondContact O-N 2.75Å; S40-L42 PolarHBondContact O-N 2.93Å |
| 41 | K | 65.4 | Low | 64.6 | Low | 187 Ų | 187 | 141.3 Ų | 141.3 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | trans | -67.2 | 59.7 | -172.8 | -157 | 172.8 | -174.4 | 173.9 | 0 | 109.9 | F39 V43 | F39-K41 PolarHBondContact O-N 2.82Å; K41-V43 HydrophobicContact CG-CG2 4.37Å; K41-V43 PolarHBondContact O-N 2.98Å |
| 42 | L | 58 | Low | 63.9 | Low | 155 Ų | 155 | 143.2 Ų | 143.2 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | trans | -62.7 | 89.8 | 159.5 | -67.9 | 176.5 | 0 | 0 | 0 | 103.5 | S40 L44 | S40-L42 PolarHBondContact O-N 2.93Å; L42-L44 PolarHBondContact O-N 3.38Å |
| 43 | V | 66.4 | Low | 63.3 | Low | 104 Ų | 104 | 149.2 Ų | 149.2 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | | | trans | -56.3 | 113.4 | 174.9 | 177.3 | 0 | 0 | 0 | 0 | 105.4 | K41 L45 | K41-V43 HydrophobicContact CG-CG2 4.37Å; K41-V43 PolarHBondContact O-N 2.98Å; V43-L45 VanDerWaalsContact C-N 3.31Å; V43-L45 PolarHBondContact O-N 3.17Å |
| 44 | L | 60.5 | Low | 62.2 | Low | 147 Ų | 147 | 147.3 Ų | 147.3 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | | | trans | -59.4 | 100.3 | 169.4 | -173.8 | 68.4 | 0 | 0 | 0 | 106.3 | L42 T46 | L42-L44 PolarHBondContact O-N 3.38Å; L44-T46 WeakPolarHBondContact CD2-OG1 3.35Å; L44-T46 WeakPolarHBondContact CG-OG1 3.13Å; L44-T46 PolarHBondContact O-N 2.96Å; L44-T46 PolarHBondContact O-OG1 3.22Å |
| 45 | L | 60.3 | Low | 61.5 | Low | 165 Ų | 165 | 141.2 Ų | 141.2 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -70.2 | 75 | 169.1 | -78.8 | 163.6 | 0 | 0 | 0 | 107 | V43 A47 | V43-L45 VanDerWaalsContact C-N 3.31Å; V43-L45 PolarHBondContact O-N 3.17Å; L45-A47 PolarHBondContact O-N 2.83Å |
| 46 | T | 56.5 | Low | 60.7 | Low | 98 Ų | 98 | 136 Ų | 136 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | | | trans | -67.1 | 99.8 | 174.4 | -46.1 | 0 | 0 | 0 | 0 | 107.5 | L44 S48 | L44-T46 WeakPolarHBondContact CD2-OG1 3.35Å; L44-T46 WeakPolarHBondContact CG-OG1 3.13Å; L44-T46 PolarHBondContact O-N 2.96Å; L44-T46 PolarHBondContact O-OG1 3.22Å; T46-S48 PolarHBondContact O-N 2.8Å |
| 47 | A | 59.1 | Low | 60.4 | Low | 108 Ų | 108 | 134 Ų | 134 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | | | trans | -70.1 | 80.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | L45 | L45-A47 PolarHBondContact O-N 2.83Š|
| 48 | S | 54.2 | Low | 60.2 | Low | 78 Ų | 78 | 132.3 Ų | 132.3 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | | | trans | -151 | 96.7 | 171.6 | -167.1 | 0 | 0 | 0 | 0 | 110 | T46 | T46-S48 PolarHBondContact O-N 2.8Š|
| 49 | K | 57.8 | Low | 59.8 | Low | 191 Ų | 191 | 132.2 Ų | 132.2 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | | | trans | -84.6 | 116.4 | 158.2 | -178.5 | 160.6 | 177.6 | -178.5 | 0 | 106.1 | | |
| 50 | D | 56 | Low | 60.1 | Low | 131 Ų | 131 | 133 Ų | 133 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | trans | 74.6 | 94.1 | 169.5 | -65 | -74.4 | 0 | 0 | 0 | 119.3 | | |
| 51 | S | 55.3 | Low | 60.5 | Low | 78 Ų | 78 | 131.7 Ų | 131.7 | 55% | 0.545 | 74% | 0.74 | S | S | . | * | | | trans | -158.4 | 57.6 | 141.3 | 66.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 52 | T | 57 | Low | 61.2 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | -83.5 | 116.1 | 162.2 | 41.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 53 | K | 57.9 | Low | 61.8 | Low | 205 Ų | 205 | 129.7 Ų | 129.7 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | | | trans | 96.4 | 68.8 | 169.3 | -41.7 | -123.7 | -178.6 | -172.4 | 0 | 116.4 | | |
| 54 | V | 48.2 | Very low | 62.2 | Low | 94 Ų | 94 | 130.8 Ų | 130.8 | 57% | 0.57 | 75% | 0.749 | S | S | * | * | | | trans | -129.5 | 104.4 | 144.4 | 142.6 | 0 | 0 | 0 | 0 | 107.6 | A57 | V54-A57 HydrophobicContact CG1-CB 3.74Š|
| 55 | A | 59.5 | Low | 63.1 | Low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | | | trans | -69.7 | 132.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | A57 | A55-A57 PolarHBondContact O-N 3.4Š|
| 56 | G | 58.5 | Low | 64.2 | Low | 86 Ų | 86 | 130 Ų | 130 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 73.8 | 12.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120 | K58 | G56-K58 PolarHBondContact O-N 3.17Š|
| 57 | A | 65.2 | Low | 65.4 | Low | 62 Ų | 62 | 130.8 Ų | 130.8 | 51% | 0.512 | 76% | 0.757 | S | S | . | * | | | trans | -83.1 | 115 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V54 A55 R59 | V54-A57 HydrophobicContact CG1-CB 3.74Å; A55-A57 PolarHBondContact O-N 3.4Å; A57-R59 PolarHBondContact O-N 3.48Å |
| 58 | K | 65.7 | Low | 66.5 | Low | 213 Ų | 213 | 133.7 Ų | 133.7 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | | | trans | -56.4 | 88.8 | 162 | -90.3 | -170.1 | 177.3 | -175.1 | 0 | 107.7 | G56 K60 | G56-K58 PolarHBondContact O-N 3.17Å; K58-K60 PolarHBondContact O-N 2.78Å |
| 59 | R | 65.7 | Low | 68.1 | Low | 177 Ų | 177 | 133.3 Ų | 133.3 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | | | trans | -65.8 | 106.2 | 171.7 | -64.3 | -175.6 | -173.1 | 163.7 | 1.3 | 105.7 | A57 G61 | A57-R59 PolarHBondContact O-N 3.48Å; R59-G61 VanDerWaalsContact C-N 3.33Å; R59-G61 PolarHBondContact O-N 2.94Å |
| 60 | K | 71.8 | Confident | 69.6 | Low | 197 Ų | 197 | 130.7 Ų | 130.7 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | | | trans | -58 | 107.6 | 159.7 | -80.2 | -164.9 | 173.6 | -161.2 | 0 | 104.8 | K58 V62 | K58-K60 PolarHBondContact O-N 2.78Å; K60-V62 PolarHBondContact O-N 3.41Å; K60-V62 VanDerWaalsContact O-N 3.17Å |
| 61 | G | 72.4 | Confident | 71.2 | Confident | 58 Ų | 58 | 127.8 Ų | 127.8 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 124.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108 | R59 H63 | R59-G61 VanDerWaalsContact C-N 3.33Å; R59-G61 PolarHBondContact O-N 2.94Å; G61-H63 PolarHBondContact O-N 2.96Å |
| 62 | V | 78.9 | Confident | 73 | Confident | 134 Ų | 134 | 125.7 Ų | 125.7 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 126.9 | 175.3 | -171.1 | 0 | 0 | 0 | 0 | 106.3 | K60 C64 | K60-V62 PolarHBondContact O-N 3.41Å; K60-V62 VanDerWaalsContact O-N 3.17Å; V62-C64 PolarHBondContact O-N 2.95Å |
| 63 | H | 71.3 | Confident | 74.6 | Confident | 167 Ų | 167 | 125.1 Ų | 125.1 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 116.2 | 176.2 | -58.1 | -69.9 | 0 | 0 | 0 | 108.2 | G61 V65 | G61-H63 PolarHBondContact O-N 2.96Å; H63-V65 PolarHBondContact O-N 3.15Å; H63-V65 VanDerWaalsContact O-N 3.17Å |
| 64 | C | 74.2 | Confident | 76.2 | Confident | 126 Ų | 126 | 118.6 Ų | 118.6 | 85% | 0.851 | 73% | 0.726 | S | S | * | * | | | trans | -70.8 | 110 | 170.1 | -63.8 | 0 | 0 | 0 | 0 | 108.2 | V62 | V62-C64 PolarHBondContact O-N 2.95Š|
| 65 | V | 79.8 | Confident | 78.2 | Confident | 124 Ų | 124 | 118.3 Ų | 118.3 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | | | trans | -96.6 | 117.2 | 169.2 | -178 | 0 | 0 | 0 | 0 | 107.2 | H63 | H63-V65 PolarHBondContact O-N 3.15Å; H63-V65 VanDerWaalsContact O-N 3.17Å |
| 66 | M | 84.1 | Confident | 79.7 | Confident | 173 Ų | 173 | 117.5 Ų | 117.5 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | | | trans | -96.6 | 112.6 | 170.8 | -64.2 | -168.5 | 73.1 | 0 | 0 | 108.3 | | |
| 67 | S | 81.2 | Confident | 81.1 | Confident | 114 Ų | 114 | 115.7 Ų | 115.7 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 126.3 | 170.8 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 68 | L | 82.6 | Confident | 82.2 | Confident | 169 Ų | 169 | 119.9 Ų | 119.9 | 89% | 0.885 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 138.5 | 166.8 | -62.6 | 176.3 | 0 | 0 | 0 | 108.7 | | |
| 69 | G | 86.5 | Confident | 83.3 | Confident | 70 Ų | 70 | 111.9 Ų | 111.9 | 72% | 0.722 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -67 | 160.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 70 | V | 89.4 | Confident | 84.4 | Confident | 136 Ų | 136 | 107.7 Ų | 107.7 | 82% | 0.824 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 131.6 | 174 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | G72 | V70-G72 PolarHBondContact O-N 3.25Š|
| 71 | P | 89.3 | Confident | 85 | Confident | 70 Ų | 70 | 101 Ų | 101 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -59 | 139.5 | 175.9 | 21.9 | -31 | 0 | 0 | 0 | 110.4 | T75 | P71-T75 HydrophobicContact CB-CG2 3.86Š|
| 72 | G | 93.8 | Very high | 85.6 | Confident | 33 Ų | 33 | 106.3 Ų | 106.3 | 34% | 0.34 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 162.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V70 A74 T75 L76 | V70-G72 PolarHBondContact O-N 3.25Å; G72-A74 PolarHBondContact O-N 2.91Å; G72-A74 VanDerWaalsContact O-N 3.15Å; G72-T75 WeakPolarHBondContact O-CB 3.48Å; G72-T75 PolarHBondContact O-N 3.04Å; G72-L76 PolarHBondContact O-N 3.36Å |
| 73 | P | 90.9 | Very high | 86 | Confident | 116 Ų | 116 | 105.5 Ų | 105.5 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -54.4 | -38.7 | -176.5 | -26.5 | 34 | 0 | 0 | 0 | 113.7 | L76 A77 | P73-L76 PolarHBondContact O-N 3.13Å; P73-A77 WeakPolarHBondContact O-CB 3.33Å; P73-A77 PolarHBondContact O-N 3.44Å |
| 74 | A | 90.8 | Very high | 86.5 | Confident | 69 Ų | 69 | 102.3 Ų | 102.3 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.9 | -37.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G72 K78 | G72-A74 PolarHBondContact O-N 2.91Å; G72-A74 VanDerWaalsContact O-N 3.15Å; A74-K78 WeakPolarHBondContact O-CG 3.37Å; A74-K78 PolarHBondContact O-N 2.89Å |
| 75 | T | 91.1 | Very high | 86.4 | Confident | 87 Ų | 87 | 100.1 Ų | 100.1 | 53% | 0.534 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.9 | -40.3 | 177.2 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | P71 G72 K78 A79 | P71-T75 HydrophobicContact CB-CG2 3.86Å; G72-T75 WeakPolarHBondContact O-CB 3.48Å; G72-T75 PolarHBondContact O-N 3.04Å; T75-K78 PolarHBondContact O-N 2.96Å; T75-A79 PolarHBondContact O-N 3.17Å |
| 76 | L | 90.8 | Very high | 86 | Confident | 86 Ų | 86 | 101 Ų | 101 | 45% | 0.45 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.2 | -45.9 | 177.1 | -171.6 | 122.9 | 0 | 0 | 0 | 111.6 | G72 P73 K78 A79 L80 | G72-L76 PolarHBondContact O-N 3.36Å; P73-L76 PolarHBondContact O-N 3.13Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 3.33Å; L76-A79 PolarHBondContact O-N 3.48Å; L76-L80 HydrophobicContact CD2-CD1 3.73Å; L76-L80 HydrophobicContact CD2-CG 4.46Å; L76-L80 HydrophobicContact CG-CD1 4.37Å; L76-L80 WeakPolarHBondContact O-CG 3.36Å; L76-L80 PolarHBondContact O-N 3.15Å |
| 77 | A | 87.9 | Confident | 85.1 | Confident | 49 Ų | 49 | 94.7 Ų | 94.7 | 41% | 0.405 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -56.9 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P73 A79 L80 L81 | P73-A77 WeakPolarHBondContact O-CB 3.33Å; P73-A77 PolarHBondContact O-N 3.44Å; A77-A79 PolarHBondContact O-N 3.42Å; A77-L80 PolarHBondContact O-N 3.21Å; A77-L81 WeakPolarHBondContact O-CG 3.36Å; A77-L81 PolarHBondContact O-N 3.45Å; A77-L81 VanDerWaalsContact O-N 3.13Å |
| 78 | K | 87.7 | Confident | 84.3 | Confident | 150 Ų | 150 | 94.1 Ų | 94.1 | 65% | 0.652 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.8 | -41.7 | 176.7 | -73.8 | 177.4 | -179.9 | -173.2 | 0 | 112.8 | A74 T75 L76 L81 Q82 | A74-K78 WeakPolarHBondContact O-CG 3.37Å; A74-K78 PolarHBondContact O-N 2.89Å; T75-K78 PolarHBondContact O-N 2.96Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 3.33Å; K78-L81 PolarHBondContact O-N 2.87Å; K78-Q82 PolarHBondContact O-N 3.34Å; K78-Q82 VanDerWaalsContact O-N 3.15Å |
| 79 | A | 89.8 | Confident | 83.4 | Confident | 44 Ų | 44 | 95.1 Ų | 95.1 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T75 L76 A77 L81 Q82 I83 | T75-A79 PolarHBondContact O-N 3.17Å; L76-A79 PolarHBondContact O-N 3.48Å; A77-A79 PolarHBondContact O-N 3.42Å; A79-L81 VanDerWaalsContact C-N 3.35Å; A79-L81 PolarHBondContact O-N 3.16Å; A79-Q82 PolarHBondContact O-N 3.09Å; A79-I83 WeakPolarHBondContact O-CD1 3.26Å; A79-I83 VanDerWaalsContact O-CG1 3.26Å; A79-I83 WeakPolarHBondContact O-CG1 3.47Å; A79-I83 PolarHBondContact O-N 3.02Å |
| 80 | L | 87.6 | Confident | 82.3 | Confident | 89 Ų | 89 | 95.2 Ų | 95.2 | 47% | 0.466 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 178 | -68.7 | 174.5 | 0 | 0 | 0 | 112.5 | L76 A77 Q82 I83 H84 | L76-L80 HydrophobicContact CD2-CD1 3.73Å; L76-L80 HydrophobicContact CD2-CG 4.46Å; L76-L80 HydrophobicContact CG-CD1 4.37Å; L76-L80 WeakPolarHBondContact O-CG 3.36Å; L76-L80 PolarHBondContact O-N 3.15Å; A77-L80 PolarHBondContact O-N 3.21Å; L80-Q82 VanDerWaalsContact C-N 3.33Å; L80-I83 PolarHBondContact O-N 3.4Å; L80-H84 PolarHBondContact O-N 2.96Å |
| 81 | L | 85.6 | Confident | 81 | Confident | 57 Ų | 57 | 94.8 Ų | 94.8 | 30% | 0.298 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.5 | -33.1 | 175.5 | -63 | 173.3 | 0 | 0 | 0 | 112.4 | A77 K78 A79 H84 Q88 I91 | A77-L81 WeakPolarHBondContact O-CG 3.36Å; A77-L81 PolarHBondContact O-N 3.45Å; A77-L81 VanDerWaalsContact O-N 3.13Å; K78-L81 PolarHBondContact O-N 2.87Å; A79-L81 VanDerWaalsContact C-N 3.35Å; A79-L81 PolarHBondContact O-N 3.16Å; L81-H84 CarbonylContact O-C 3.39Å; L81-Q88 HydrophobicContact CB-CG 4.19Å; L81-Q88 HydrophobicContact CD2-CG 3.71Å; L81-Q88 HydrophobicContact CG-CG 4.34Å; L81-I91 HydrophobicContact CD2-CD1 4.04Å |
| 82 | Q | 84 | Confident | 79.6 | Confident | 170 Ų | 170 | 99.3 Ų | 99.3 | 79% | 0.794 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.4 | -38.9 | 173.2 | -79.3 | -172 | 14.1 | 0 | 0 | 112.8 | K78 A79 L80 | K78-Q82 PolarHBondContact O-N 3.34Å; K78-Q82 VanDerWaalsContact O-N 3.15Å; A79-Q82 PolarHBondContact O-N 3.09Å; L80-Q82 VanDerWaalsContact C-N 3.33Å |
| 83 | I | 88 | Confident | 77.9 | Confident | 116 Ų | 116 | 100.6 Ų | 100.6 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -77.9 | -32.9 | -178.1 | -61.3 | 163 | 0 | 0 | 0 | 110.7 | A79 L80 P85 | A79-I83 WeakPolarHBondContact O-CD1 3.26Å; A79-I83 VanDerWaalsContact O-CG1 3.26Å; A79-I83 WeakPolarHBondContact O-CG1 3.47Å; A79-I83 PolarHBondContact O-N 3.02Å; L80-I83 PolarHBondContact O-N 3.4Å; I83-P85 WeakPolarHBondContact O-CD 3.41Å |
| 84 | H | 82.1 | Confident | 76.5 | Confident | 101 Ų | 101 | 99 Ų | 99 | 47% | 0.468 | 55% | 0.547 | S | S | . | . | | | trans | -124.4 | 81 | 179.9 | -67.2 | -71.6 | 0 | 0 | 0 | 111.1 | L80 L81 E86 A87 | L80-H84 PolarHBondContact O-N 2.96Å; L81-H84 CarbonylContact O-C 3.39Å; H84-E86 PolarHBondContact O-N 3.34Å; H84-E86 VanDerWaalsContact O-N 3.16Å; H84-A87 HydrophobicContact CB-CB 4.04Å; H84-A87 VanDerWaalsContact O-CB 3.28Å; H84-A87 WeakPolarHBondContact O-CB 3.28Å; H84-A87 PolarHBondContact O-N 3.33Å |
| 85 | P | 72.4 | Confident | 74.9 | Confident | 79 Ų | 79 | 101.1 Ų | 101.1 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.8 | -23.1 | 175.2 | 25.1 | -33.9 | 0 | 0 | 0 | 112.4 | I83 A87 Q88 | I83-P85 WeakPolarHBondContact O-CD 3.41Å; P85-A87 VanDerWaalsContact C-N 3.26Å; P85-A87 PolarHBondContact O-N 3.34Å; P85-Q88 WeakPolarHBondContact O-CB 3.48Å; P85-Q88 PolarHBondContact O-N 3.22Å |
| 86 | E | 70.4 | Confident | 73.3 | Confident | 142 Ų | 142 | 105.3 Ų | 105.3 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.9 | -26.5 | 173.7 | -67.8 | 154.3 | 173.8 | 0 | 0 | 112.7 | H84 Q88 R89 A90 | H84-E86 PolarHBondContact O-N 3.34Å; H84-E86 VanDerWaalsContact O-N 3.16Å; E86-Q88 VanDerWaalsContact C-N 3.3Å; E86-Q88 PolarHBondContact O-N 3.19Å; E86-R89 PolarHBondContact O-N 3.49Å; E86-A90 PolarHBondContact O-N 3.21Å |
| 87 | A | 66.1 | Low | 71.6 | Confident | 41 Ų | 41 | 109.3 Ų | 109.3 | 34% | 0.339 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.8 | -28.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H84 P85 R89 A90 I91 | H84-A87 HydrophobicContact CB-CB 4.04Å; H84-A87 VanDerWaalsContact O-CB 3.28Å; H84-A87 WeakPolarHBondContact O-CB 3.28Å; H84-A87 PolarHBondContact O-N 3.33Å; P85-A87 VanDerWaalsContact C-N 3.26Å; P85-A87 PolarHBondContact O-N 3.34Å; A87-R89 VanDerWaalsContact C-N 3.33Å; A87-A90 PolarHBondContact O-N 2.69Å; A87-I91 WeakPolarHBondContact O-CD1 3.44Å; A87-I91 VanDerWaalsContact O-CG1 3.32Å; A87-I91 WeakPolarHBondContact O-CG1 3.41Å; A87-I91 PolarHBondContact O-N 2.83Å |
| 88 | Q | 63.2 | Low | 70.4 | Confident | 102 Ų | 102 | 112.7 Ų | 112.7 | 48% | 0.477 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.7 | -41.3 | 169.7 | -73.6 | -174 | -81.6 | 0 | 0 | 111.2 | L81 P85 E86 A90 I91 E92 | L81-Q88 HydrophobicContact CB-CG 4.19Å; L81-Q88 HydrophobicContact CD2-CG 3.71Å; L81-Q88 HydrophobicContact CG-CG 4.34Å; P85-Q88 WeakPolarHBondContact O-CB 3.48Å; P85-Q88 PolarHBondContact O-N 3.22Å; E86-Q88 VanDerWaalsContact C-N 3.3Å; E86-Q88 PolarHBondContact O-N 3.19Å; Q88-A90 VanDerWaalsContact C-N 3.26Å; Q88-A90 PolarHBondContact O-N 2.84Å; Q88-I91 PolarHBondContact O-N 2.96Å; Q88-I91 VanDerWaalsContact O-N 3.09Å; Q88-E92 WeakPolarHBondContact O-CB 3.32Å; Q88-E92 PolarHBondContact O-N 2.92Å |
| 89 | R | 63.3 | Low | 69.1 | Low | 191 Ų | 191 | 113.2 Ų | 113.2 | 72% | 0.721 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.6 | -30 | 176.8 | -81.4 | -145.2 | -89.3 | -127.9 | -0.5 | 113.4 | E86 A87 I91 A93 | E86-R89 PolarHBondContact O-N 3.49Å; A87-R89 VanDerWaalsContact C-N 3.33Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-A93 WeakPolarHBondContact O-CB 3.46Å; R89-A93 PolarHBondContact O-N 3.2Å |
| 90 | A | 63.4 | Low | 67.7 | Low | 72 Ų | 72 | 118 Ų | 118 | 60% | 0.595 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.5 | -21.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E86 A87 Q88 | E86-A90 PolarHBondContact O-N 3.21Å; A87-A90 PolarHBondContact O-N 2.69Å; Q88-A90 VanDerWaalsContact C-N 3.26Å; Q88-A90 PolarHBondContact O-N 2.84Å |
| 91 | I | 62.4 | Low | 66.2 | Low | 127 Ų | 127 | 122.4 Ų | 122.4 | 65% | 0.651 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -91.7 | -34 | 178 | -60.1 | 162.1 | 0 | 0 | 0 | 110.8 | L81 A87 Q88 R89 | L81-I91 HydrophobicContact CD2-CD1 4.04Å; A87-I91 WeakPolarHBondContact O-CD1 3.44Å; A87-I91 VanDerWaalsContact O-CG1 3.32Å; A87-I91 WeakPolarHBondContact O-CG1 3.41Å; A87-I91 PolarHBondContact O-N 2.83Å; Q88-I91 PolarHBondContact O-N 2.96Å; Q88-I91 VanDerWaalsContact O-N 3.09Å; R89-I91 VanDerWaalsContact C-N 3.33Å |
| 92 | E | 60.5 | Low | 65.1 | Low | 165 Ų | 165 | 129.3 Ų | 129.3 | 77% | 0.771 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -78.8 | -36.3 | 176.9 | -172.7 | 179.9 | 174.3 | 0 | 0 | 112.5 | Q88 A94 | Q88-E92 WeakPolarHBondContact O-CB 3.32Å; Q88-E92 PolarHBondContact O-N 2.92Å; E92-A94 PolarHBondContact O-N 3.19Å |
| 93 | A | 58.2 | Low | 64 | Low | 59 Ų | 59 | 126.2 Ų | 126.2 | 49% | 0.488 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -62.2 | 123 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | R89 | R89-A93 WeakPolarHBondContact O-CB 3.46Å; R89-A93 PolarHBondContact O-N 3.2Å |
| 94 | A | 61.4 | Low | 62.5 | Low | 82 Ų | 82 | 132.1 Ų | 132.1 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | | | trans | -43.7 | 136.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | E92 Q96 | E92-A94 PolarHBondContact O-N 3.19Å; A94-Q96 PolarHBondContact O-N 2.86Å |
| 95 | P | 57.6 | Low | 61.2 | Low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 69% | 0.689 | S | S | * | * | | | trans | -49.4 | 111.6 | -177.1 | -23.2 | 31.2 | 0 | 0 | 0 | 108 | E97 | P95-E97 VanDerWaalsContact C-N 3.26Å; P95-E97 PolarHBondContact O-N 2.69Å |
| 96 | Q | 58.2 | Low | 60.2 | Low | 175 Ų | 175 | 138.8 Ų | 138.8 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | | | trans | -60.2 | 105.1 | 165.8 | -98.9 | -98.9 | -45.2 | 0 | 0 | 103.8 | A94 P98 | A94-Q96 PolarHBondContact O-N 2.86Å; Q96-P98 WeakPolarHBondContact O-CD 3.13Å |
| 97 | E | 54 | Low | 59.4 | Low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | | | trans | -47.3 | 119.9 | 176.7 | -71.2 | -167.4 | 105.9 | 0 | 0 | 106.1 | P95 E99 | P95-E97 VanDerWaalsContact C-N 3.26Å; P95-E97 PolarHBondContact O-N 2.69Å; E97-E99 PolarHBondContact O-N 2.89Å |
| 98 | P | 63 | Low | 58.5 | Low | 120 Ų | 120 | 138.9 Ų | 138.9 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | | | trans | -56.5 | 115.8 | 178 | 20.4 | -29.7 | 0 | 0 | 0 | 105.9 | Q96 Q100 | Q96-P98 WeakPolarHBondContact O-CD 3.13Å; P98-Q100 VanDerWaalsContact C-N 3.28Å; P98-Q100 PolarHBondContact O-N 2.76Å |
| 99 | E | 59.7 | Low | 57.4 | Low | 161 Ų | 161 | 138.6 Ų | 138.6 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | | | trans | -52 | 98.6 | -179.2 | -80.4 | -177 | 85.3 | 0 | 0 | 107.6 | E97 K101 | E97-E99 PolarHBondContact O-N 2.89Å; E99-K101 PolarHBondContact O-N 3.17Å |
| 100 | Q | 60.9 | Low | 56.5 | Low | 144 Ų | 144 | 136 Ų | 136 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | | | trans | -70 | 87.8 | 176.1 | -171 | -175.8 | 66.9 | 0 | 0 | 104.5 | P98 R102 | P98-Q100 VanDerWaalsContact C-N 3.28Å; P98-Q100 PolarHBondContact O-N 2.76Å; Q100-R102 HydrophobicContact CG-CG 4.12Å; Q100-R102 PolarHBondContact O-N 3.31Å |
| 101 | K | 56.5 | Low | 55.3 | Low | 182 Ų | 182 | 144 Ų | 144 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -61.9 | 82.3 | 166.1 | -66.9 | -122.1 | 179.5 | -169.9 | 0 | 106.8 | E99 S103 | E99-K101 PolarHBondContact O-N 3.17Å; K101-S103 PolarHBondContact O-N 2.92Å |
| 102 | R | 61.4 | Low | 54.3 | Low | 202 Ų | 202 | 143 Ų | 143 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -64.9 | 87.6 | 162.1 | -76.1 | -173.2 | -175.4 | 179.1 | 0.1 | 106.2 | Q100 R104 | Q100-R102 HydrophobicContact CG-CG 4.12Å; Q100-R102 PolarHBondContact O-N 3.31Å; R102-R104 PolarHBondContact O-N 3.27Å |
| 103 | S | 61.2 | Low | 53.5 | Low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -58.6 | 96.6 | 153.7 | 167.9 | 0 | 0 | 0 | 0 | 106.5 | K101 Q105 | K101-S103 PolarHBondContact O-N 2.92Å; S103-Q105 PolarHBondContact O-N 3.15Å |
| 104 | R | 56.7 | Low | 52.7 | Low | 240 Ų | 240 | 146.8 Ų | 146.8 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | | | trans | -63.5 | 107.8 | 157.7 | -92.7 | -174.3 | 173.8 | -120.1 | 3.3 | 105.5 | R102 | R102-R104 PolarHBondContact O-N 3.27Š|
| 105 | Q | 54.9 | Low | 51.7 | Low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -69.9 | 124.8 | 152.8 | -81.3 | -177.5 | -2.8 | 0 | 0 | 107.1 | S103 P107 | S103-Q105 PolarHBondContact O-N 3.15Å; Q105-P107 WeakPolarHBondContact O-CD 3.5Å |
| 106 | D | 51.1 | Low | 50.8 | Low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | trans | -83.5 | 120.1 | 175.8 | -178.1 | 31.9 | 0 | 0 | 0 | 109.1 | | |
| 107 | P | 54 | Low | 50.2 | Low | 126 Ų | 126 | 147.2 Ų | 147.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -103.5 | 93.8 | 167.1 | 33.1 | -18.8 | 0 | 0 | 0 | 108.3 | Q105 | Q105-P107 WeakPolarHBondContact O-CD 3.5Š|
| 108 | G | 46.8 | Very low | 49.4 | Very low | 58 Ų | 58 | 143.8 Ų | 143.8 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | | | trans | 177.2 | 86.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 109 | A | 39.7 | Very low | 48.3 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | 176 | 101.2 | 135.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 110 | D | 44.3 | Very low | 47.1 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | | 94.8 | 105.5 | 86.9 | -171.9 | 34.3 | 0 | 0 | 0 | 111.5 | | |
| 111 | R | 38.2 | Very low | 46.7 | Very low | 239 Ų | 239 | 138.4 Ų | 138.4 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | | -173 | 114.1 | 120.4 | -103 | 178.8 | 178.2 | -176 | -1.5 | 112.3 | | |
| 112 | T | 42.1 | Very low | 46.7 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 64% | 0.644 | 79% | 0.788 | S | S | * | * | | | trans | -67.7 | 153.3 | 164.6 | -47.2 | 0 | 0 | 0 | 0 | 111 | | |
| 113 | E | 44.5 | Very low | 45.7 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | 70 | 123.1 | 150.9 | 65 | -144.5 | 109 | 0 | 0 | 124.3 | | |
| 114 | D | 40.9 | Very low | 44.9 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | 67.5 | 102.9 | 134.7 | -85.8 | -89.7 | 0 | 0 | 0 | 122.1 | | |
| 115 | S | 40 | Very low | 44.3 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | | -162.1 | 115.9 | 127.3 | -94.9 | 0 | 0 | 0 | 0 | 114 | | |
| 116 | A | 38.4 | Very low | 43.6 | Very low | 85 Ų | 85 | 123 Ų | 123 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | | | trans | 64.7 | 108.7 | 130.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 117 | L | 45.9 | Very low | 43.2 | Very low | 176 Ų | 176 | 125.3 Ų | 125.3 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | 12.4 | 120.7 | 137.1 | -87.6 | 72.1 | 0 | 0 | 0 | 117.8 | | |
| 118 | A | 37.3 | Very low | 42.8 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | | -178.5 | 113.7 | 118.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 119 | A | 39.5 | Very low | 42.8 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | | | trans | 53.1 | 115 | 137.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 120 | G | 35.1 | Very low | 43.2 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | 160.4 | 122.9 | 150 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 121 | P | 52.7 | Low | 43.4 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -85.7 | 167.4 | -161.9 | 35.9 | -36.4 | 0 | 0 | 0 | 115.1 | | |
| 122 | P | 55.6 | Low | 43.9 | Very low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | -89 | 162.7 | -175 | 37.2 | -31.8 | 0 | 0 | 0 | 112 | | |
| 123 | E | 41.2 | Very low | 44.4 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | 154.8 | 133.6 | 132.5 | -83.1 | -152.5 | 130.2 | 0 | 0 | 114.4 | | |
| 124 | A | 43.6 | Very low | 45.1 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | 147.9 | 90.9 | 138.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 125 | A | 43.6 | Very low | 45.9 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | | 64.7 | 125.6 | 79 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 126 | G | 41.3 | Very low | 46.5 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | | | trans | 127.7 | 75.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 127 | E | 43.2 | Very low | 47.2 | Very low | 192 Ų | 192 | 120.5 Ų | 120.5 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | | | | 71.9 | 101 | 95.3 | -80.5 | 178.7 | 97.1 | 0 | 0 | 116.2 | | |
| 128 | N | 45.3 | Very low | 47.5 | Very low | 151 Ų | 151 | 121.5 Ų | 121.5 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | | | trans | 2.9 | 118.5 | 133.1 | -171.7 | 40.3 | 0 | 0 | 0 | 117.8 | | |
| 129 | S | 45.5 | Very low | 48.5 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | | | trans | -167.4 | 115.4 | 137.7 | -90.4 | 0 | 0 | 0 | 0 | 112 | | |
| 130 | A | 49.1 | Very low | 49 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 74% | 0.744 | 84% | 0.842 | S | S | * | * | | | trans | -96 | 178.5 | 156 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 131 | P | 47.7 | Very low | 49.7 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | | -98.4 | 157.2 | -108.5 | 35.8 | -22 | 0 | 0 | 0 | 114.4 | | |
| 132 | C | 49.3 | Very low | 49.5 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 86% | 0.858 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 126.9 | 166.9 | -68.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 133 | P | 52.8 | Low | 49.2 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 81% | 0.812 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 125.5 | 165.2 | 32.3 | -27.9 | 0 | 0 | 0 | 110.4 | | |
| 134 | V | 58.2 | Low | 49.6 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 89% | 0.891 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -97 | 124.4 | 165 | 147.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 135 | A | 59.7 | Low | 50 | Low | 86 Ų | 86 | 132.4 Ų | 132.4 | 71% | 0.711 | 86% | 0.855 | S | S | * | * | | | trans | -119.6 | 176.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 136 | P | 52.3 | Low | 50.5 | Low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | | -100.6 | 144.6 | -108.8 | 28.3 | -11.6 | 0 | 0 | 0 | 113.4 | K138 | P136-K138 PolarHBondContact O-N 3.27Š|
| 137 | G | 53.2 | Low | 51.1 | Low | 87 Ų | 87 | 138.6 Ų | 138.6 | 90% | 0.897 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 118.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 138 | K | 52.6 | Low | 51.7 | Low | 198 Ų | 198 | 134.5 Ų | 134.5 | 86% | 0.861 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 140 | 159.4 | -66 | 174.5 | 174.9 | 179.4 | 0 | 108 | P136 | P136-K138 PolarHBondContact O-N 3.27Š|
| 139 | S | 56.7 | Low | 52.3 | Low | 126 Ų | 126 | 133.2 Ų | 133.2 | 88% | 0.881 | 86% | 0.864 | S | S | * | * | | | trans | -146.6 | 137.9 | 155.5 | -79.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 140 | L | 50.2 | Low | 52.9 | Low | 254 Ų | 254 | 134.3 Ų | 134.3 | 100% | 1.33 | 87% | 0.866 | S | S | * | * | | | trans | -64.3 | 0 | -172.2 | -79.7 | 95.9 | 0 | 0 | 0 | 113.4 | | |