| 1 | V | 58.8 | Low | 63.5 | Low | 172 Ų | 172 | 150.3 Ų | 150.3 | 100% | 1.042 | 78% | 0.781 | S | S | * | * | | | | 0 | 114.5 | 0 | 179.6 | 0 | 0 | 0 | 0 | 107 | | |
| 2 | Q | 60.5 | Low | 63.2 | Low | 198 Ų | 198 | 147.8 Ų | 147.8 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | | | trans | -93.4 | 120.7 | 176.8 | -93.4 | -178.4 | -31.6 | 0 | 0 | 108.3 | S4 | Q2-S4 PolarHBondContact O-N 3.4Š|
| 3 | H | 65.9 | Low | 63.1 | Low | 170 Ų | 170 | 151.2 Ų | 151.2 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | | | trans | -84.5 | 107.1 | 173.5 | -63.4 | -80.4 | 0 | 0 | 0 | 107.7 | K5 | H3-K5 PolarHBondContact O-N 3.17Š|
| 4 | S | 68.5 | Low | 63.1 | Low | 113 Ų | 113 | 154.3 Ų | 154.3 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -59 | 129.8 | 171.1 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | Q2 V6 | Q2-S4 PolarHBondContact O-N 3.4Å; S4-V6 PolarHBondContact O-N 3.39Å; S4-V6 VanDerWaalsContact O-N 3.17Å |
| 5 | K | 65.3 | Low | 63.2 | Low | 193 Ų | 193 | 150.5 Ų | 150.5 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -60.9 | 117.4 | 176.4 | -179.2 | 176 | 171.7 | -175.6 | 0 | 107.4 | H3 E7 | H3-K5 PolarHBondContact O-N 3.17Å; K5-E7 PolarHBondContact O-N 3.26Å |
| 6 | V | 65.2 | Low | 63.2 | Low | 126 Ų | 126 | 150.2 Ų | 150.2 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | -61.5 | 110.4 | 174.3 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | S4 Y8 | S4-V6 PolarHBondContact O-N 3.39Å; S4-V6 VanDerWaalsContact O-N 3.17Å; V6-Y8 PolarHBondContact O-N 3.01Å |
| 7 | E | 65.9 | Low | 63 | Low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -70.3 | 109.7 | 169.4 | -119.5 | 167.9 | -164.8 | 0 | 0 | 106.7 | K5 S9 | K5-E7 PolarHBondContact O-N 3.26Å; E7-S9 PolarHBondContact O-N 3.32Å; E7-S9 VanDerWaalsContact O-N 3.17Å |
| 8 | Y | 64.6 | Low | 62.8 | Low | 175 Ų | 175 | 150.8 Ų | 150.8 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | | | trans | -73.1 | 106.5 | 174.8 | -150.7 | -94.5 | 0 | 0 | 0 | 106.8 | V6 D10 | V6-Y8 PolarHBondContact O-N 3.01Å; Y8-D10 PolarHBondContact O-N 3.02Å |
| 9 | S | 65.2 | Low | 62.5 | Low | 54 Ų | 54 | 149.8 Ų | 149.8 | 38% | 0.378 | 77% | 0.773 | S | S | . | * | | | trans | -76.7 | 117.3 | 171.5 | 91.3 | 0 | 0 | 0 | 0 | 107.5 | E7 T11 | E7-S9 PolarHBondContact O-N 3.32Å; E7-S9 VanDerWaalsContact O-N 3.17Å; S9-T11 WeakPolarHBondContact CB-OG1 3.47Å; S9-T11 PolarHBondContact O-N 3.17Å; S9-T11 PolarHBondContact OG-OG1 3.47Å |
| 10 | D | 58.3 | Low | 62.2 | Low | 150 Ų | 150 | 150.2 Ų | 150.2 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -65.9 | 7.9 | 174.6 | -79.1 | -36.8 | 0 | 0 | 0 | 112.9 | Y8 D12 | Y8-D10 PolarHBondContact O-N 3.02Å; D10-D12 VanDerWaalsContact C-N 3.33Å |
| 11 | T | 60.3 | Low | 61.9 | Low | 115 Ų | 115 | 153.2 Ų | 153.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -82.7 | -2.8 | 177.5 | 35.2 | 0 | 0 | 0 | 0 | 114.5 | S9 F13 | S9-T11 WeakPolarHBondContact CB-OG1 3.47Å; S9-T11 PolarHBondContact O-N 3.17Å; S9-T11 PolarHBondContact OG-OG1 3.47Å; T11-F13 PolarHBondContact O-N 3.41Å; T11-F13 VanDerWaalsContact C-N 3.34Å |
| 12 | D | 60 | Low | 61.9 | Low | 121 Ų | 121 | 152.5 Ų | 152.5 | 65% | 0.647 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -88.3 | 6.5 | -179.4 | -71.7 | -23 | 0 | 0 | 0 | 114.7 | D10 | D10-D12 VanDerWaalsContact C-N 3.33Š|
| 13 | F | 61.9 | Low | 61.9 | Low | 191 Ų | 191 | 148.8 Ų | 148.8 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | trans | -118.5 | 43.6 | 179 | -106 | -85.5 | 0 | 0 | 0 | 113.9 | T11 | T11-F13 PolarHBondContact O-N 3.41Å; T11-F13 VanDerWaalsContact C-N 3.34Å |
| 14 | Q | 62.8 | Low | 61.8 | Low | 195 Ų | 195 | 149.6 Ų | 149.6 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | | | trans | -116.3 | 42.4 | 163.6 | -143.3 | -178 | -33.8 | 0 | 0 | 112 | | |
| 15 | S | 64 | Low | 61.7 | Low | 98 Ų | 98 | 151 Ų | 151 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | | | trans | -108.7 | 113.7 | 175.8 | -153.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 16 | Q | 64.3 | Low | 61.6 | Low | 145 Ų | 145 | 145.5 Ų | 145.5 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | | | trans | 80.3 | 64.1 | 156.4 | -45.5 | -170.2 | -45.5 | 0 | 0 | 118.7 | | |
| 17 | K | 58.7 | Low | 61.5 | Low | 203 Ų | 203 | 144.5 Ų | 144.5 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -101.4 | -2.3 | 153.6 | -88 | -173.7 | 178.4 | -179.9 | 0 | 115.2 | | |
| 18 | S | 60.2 | Low | 61.7 | Low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -121.3 | 10 | -168 | -169 | 0 | 0 | 0 | 0 | 116.2 | | |
| 19 | L | 56.2 | Low | 62 | Low | 132 Ų | 132 | 140.6 Ų | 140.6 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -114.1 | -4.2 | -177.6 | -81.5 | 168.9 | 0 | 0 | 0 | 115.2 | | |
| 20 | L | 57.5 | Low | 62.4 | Low | 157 Ų | 157 | 144.5 Ų | 144.5 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -110.4 | -5.3 | -176.3 | -67 | 176 | 0 | 0 | 0 | 114.6 | | |
| 21 | Y | 56.6 | Low | 63 | Low | 214 Ų | 214 | 144.9 Ų | 144.9 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -96.8 | -2.2 | 179.9 | -76.1 | -73.4 | 0 | 0 | 0 | 114.4 | | |
| 22 | D | 58.8 | Low | 63.6 | Low | 157 Ų | 157 | 144.5 Ų | 144.5 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -128 | 20.7 | -174.2 | -144.8 | 19.2 | 0 | 0 | 0 | 113.7 | | |
| 23 | H | 58.8 | Low | 64.1 | Low | 121 Ų | 121 | 145 Ų | 145 | 56% | 0.56 | 77% | 0.767 | S | S | * | * | | | trans | -124.7 | 70.9 | 170.6 | -161.5 | 6.1 | 0 | 0 | 0 | 111.3 | N25 | H23-N25 PolarHBondContact CE1-O 3.05Š|
| 24 | E | 65.3 | Low | 64.4 | Low | 187 Ų | 187 | 141.1 Ų | 141.1 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -60.1 | 132.4 | 145.9 | -57.3 | -162.7 | 163.9 | 0 | 0 | 107.1 | | |
| 25 | N | 64.9 | Low | 64.7 | Low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | trans | 89.7 | 64.3 | 177.2 | -165.5 | 41.2 | 0 | 0 | 0 | 119.5 | H23 | H23-N25 PolarHBondContact CE1-O 3.05Š|
| 26 | A | 63.7 | Low | 65 | Low | 77 Ų | 77 | 141 Ų | 141 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -115.4 | 104.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T28 | A26-T28 PolarHBondContact O-N 3.33Š|
| 27 | S | 64.4 | Low | 65.2 | Low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | -42.4 | 122.7 | 178.2 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | L29 | S27-L29 PolarHBondContact O-N 2.79Š|
| 28 | T | 69.5 | Low | 65.3 | Low | 119 Ų | 119 | 138 Ų | 138 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | | | trans | -64.9 | 104.8 | 174.8 | -51.9 | 0 | 0 | 0 | 0 | 109.1 | A26 I30 | A26-T28 PolarHBondContact O-N 3.33Å; T28-I30 HydrophobicContact CG2-CG1 4.14Å; T28-I30 PolarHBondContact O-N 3.46Å |
| 29 | L | 69.8 | Low | 65.1 | Low | 161 Ų | 161 | 144.1 Ų | 144.1 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | -70.3 | 96.9 | 172.5 | -85.6 | 159.8 | 0 | 0 | 0 | 109.2 | S27 L31 | S27-L29 PolarHBondContact O-N 2.79Å; L29-L31 PolarHBondContact O-N 2.92Å |
| 30 | I | 73.9 | Confident | 65.5 | Low | 136 Ų | 136 | 144.8 Ų | 144.8 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | | | trans | -81.9 | 106.6 | 173.1 | -56.2 | -178.3 | 0 | 0 | 0 | 108.1 | T28 T32 | T28-I30 HydrophobicContact CG2-CG1 4.14Å; T28-I30 PolarHBondContact O-N 3.46Å; I30-T32 HydrophobicContact CG2-CG2 4.47Å; I30-T32 PolarHBondContact O-N 3.38Å |
| 31 | L | 72.3 | Confident | 66 | Low | 158 Ų | 158 | 144.1 Ų | 144.1 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -76.1 | 111.6 | 170.6 | -64.1 | 176.4 | 0 | 0 | 0 | 108.8 | L29 P33 | L29-L31 PolarHBondContact O-N 2.92Å; L31-P33 WeakPolarHBondContact O-CD 3.36Å |
| 32 | T | 72.7 | Confident | 66.5 | Low | 107 Ų | 107 | 140.2 Ų | 140.2 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | | | trans | -88.7 | 119.6 | 170 | 53.9 | 0 | 0 | 0 | 0 | 108.9 | I30 T34 | I30-T32 HydrophobicContact CG2-CG2 4.47Å; I30-T32 PolarHBondContact O-N 3.38Å; T32-T34 PolarHBondContact O-N 3.01Å |
| 33 | P | 70.1 | Confident | 66.9 | Low | 131 Ų | 131 | 139.2 Ų | 139.2 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | -77.2 | 94.7 | 170.5 | 29.4 | -29 | 0 | 0 | 0 | 107.9 | L31 | L31-P33 WeakPolarHBondContact O-CD 3.36Š|
| 34 | T | 68.4 | Low | 67.4 | Low | 109 Ų | 109 | 140.4 Ų | 140.4 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | | | trans | -107 | 81.5 | 166.5 | -50.9 | 0 | 0 | 0 | 0 | 108.6 | T32 K36 | T32-T34 PolarHBondContact O-N 3.01Å; T34-K36 PolarHBondContact O-N 3.01Å |
| 35 | S | 69.8 | Low | 67.6 | Low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -71.6 | 119.8 | 156.9 | -174.8 | 0 | 0 | 0 | 0 | 106.7 | D37 | S35-D37 PolarHBondContact O-N 3.32Š|
| 36 | K | 70.1 | Confident | 67.8 | Low | 180 Ų | 180 | 136.9 Ų | 136.9 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -70.4 | 98.4 | 173.8 | -67.8 | -177.7 | -179.3 | 173.5 | 0 | 107.9 | T34 V38 | T34-K36 PolarHBondContact O-N 3.01Å; K36-V38 PolarHBondContact O-N 2.82Å |
| 37 | D | 66.9 | Low | 68.1 | Low | 156 Ų | 156 | 141.5 Ų | 141.5 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | | | trans | -72.3 | 113.9 | 158.4 | -112.9 | -23.6 | 0 | 0 | 0 | 107.4 | S35 | S35-D37 PolarHBondContact O-N 3.32Š|
| 38 | V | 60.6 | Low | 68.4 | Low | 127 Ų | 127 | 144.5 Ų | 144.5 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | trans | -83 | 114.7 | 171.6 | 176.1 | 0 | 0 | 0 | 0 | 106.1 | K36 | K36-V38 PolarHBondContact O-N 2.82Š|
| 39 | L | 56.8 | Low | 68.3 | Low | 238 Ų | 238 | 146.8 Ų | 146.8 | 100% | 1.246 | 81% | 0.814 | S | S | * | * | | | trans | -101.9 | 0 | 160 | -77.6 | 171.9 | 0 | 0 | 0 | 109.1 | | |