| 1 | D | 36.8 | Very low | 52.3 | Low | 220 Ų | 220 | 124.5 Ų | 124.5 | 100% | 1.176 | 79% | 0.79 | S | S | * | * | | | | 0 | 128.7 | 0 | -76.1 | -99.4 | 0 | 0 | 0 | 111.8 | | |
| 2 | L | 43.6 | Very low | 52 | Low | 156 Ų | 156 | 130.8 Ų | 130.8 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | | | trans | -137.8 | 117.7 | 176.1 | -173.6 | 71 | 0 | 0 | 0 | 108.8 | V4 | L2-V4 HydrophobicContact CG-CG2 4.41Å; L2-V4 HydrophobicContact CD2-CG2 4.29Å |
| 3 | I | 60 | Low | 51.7 | Low | 146 Ų | 146 | 140.9 Ų | 140.9 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | | | trans | -95.1 | 113.5 | 175.7 | -61 | 175.1 | 0 | 0 | 0 | 107.5 | M5 | I3-M5 HydrophobicContact CG2-CE 4.44Å; I3-M5 HydrophobicContact CG2-CG 4.08Å |
| 4 | V | 55.3 | Low | 52 | Low | 124 Ų | 124 | 138 Ų | 138 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | trans | -93 | 101.6 | 174.6 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | L2 | L2-V4 HydrophobicContact CG-CG2 4.41Å; L2-V4 HydrophobicContact CD2-CG2 4.29Å |
| 5 | M | 63.8 | Low | 51.7 | Low | 165 Ų | 165 | 134.1 Ų | 134.1 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -93.4 | 109.8 | 167.6 | -73.8 | -176.9 | -81.6 | 0 | 0 | 108.2 | I3 A7 | I3-M5 HydrophobicContact CG2-CE 4.44Å; I3-M5 HydrophobicContact CG2-CG 4.08Å; M5-A7 PolarHBondContact O-N 3.26Å |
| 6 | G | 53.1 | Low | 52.2 | Low | 70 Ų | 70 | 130.2 Ų | 130.2 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | trans | -64.5 | 123.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | P8 | G6-P8 WeakPolarHBondContact O-CD 3.36Š|
| 7 | A | 56.3 | Low | 52.3 | Low | 80 Ų | 80 | 131.2 Ų | 131.2 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | | | trans | -96.1 | 95.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | M5 G9 | M5-A7 PolarHBondContact O-N 3.26Å; A7-G9 PolarHBondContact O-N 2.8Å |
| 8 | P | 53.4 | Low | 52.5 | Low | 141 Ų | 141 | 134 Ų | 134 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 54.8 | 176.4 | 35.9 | -36.3 | 0 | 0 | 0 | 110.5 | G6 | G6-P8 WeakPolarHBondContact O-CD 3.36Š|
| 9 | G | 48.7 | Very low | 52.4 | Low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.5 | 14.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A7 | A7-G9 PolarHBondContact O-N 2.8Š|
| 10 | S | 49.6 | Very low | 52.2 | Low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -98.4 | 17.7 | 178.2 | -145.8 | 0 | 0 | 0 | 0 | 113.5 | Y12 | S10-Y12 PolarHBondContact O-N 3.2Š|
| 11 | S | 55 | Low | 51.8 | Low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | trans | -61.9 | 106.4 | 143.3 | -65.7 | 0 | 0 | 0 | 0 | 104.6 | | |
| 12 | Y | 48.4 | Very low | 52.6 | Low | 200 Ų | 200 | 129.3 Ų | 129.3 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | | | | -140.4 | 134.5 | 55 | -79.4 | -100.2 | 0 | 0 | 0 | 109.8 | S10 T14 | S10-Y12 PolarHBondContact O-N 3.2Å; Y12-T14 PolarHBondContact O-N 2.99Å |
| 13 | W | 47.7 | Very low | 53.1 | Low | 262 Ų | 262 | 127.5 Ų | 127.5 | 99% | 0.992 | 73% | 0.726 | S | S | * | * | | | trans | -61.6 | 53.7 | 165.8 | -178.3 | 59.9 | 0 | 0 | 0 | 111.7 | | |
| 14 | T | 56.8 | Low | 52.6 | Low | 100 Ų | 100 | 124.4 Ų | 124.4 | 61% | 0.613 | 71% | 0.714 | S | S | * | * | | | trans | -122.7 | 73.1 | 174 | -36.3 | 0 | 0 | 0 | 0 | 105 | Y12 S16 | Y12-T14 PolarHBondContact O-N 2.99Å; T14-S16 PolarHBondContact O-N 2.78Å |
| 15 | G | 47.4 | Very low | 52.5 | Low | 80 Ų | 80 | 125.7 Ų | 125.7 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | | | trans | -59.5 | 74.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | L17 | G15-L17 PolarHBondContact O-N 2.96Š|
| 16 | S | 58.5 | Low | 51.8 | Low | 71 Ų | 71 | 124.2 Ų | 124.2 | 50% | 0.497 | 71% | 0.706 | S | S | . | * | | | trans | -71.2 | 90.5 | 164.3 | -168.4 | 0 | 0 | 0 | 0 | 103.4 | T14 F18 | T14-S16 PolarHBondContact O-N 2.78Å; S16-F18 WeakPolarHBondContact O-CD2 3.14Å; S16-F18 PolarHBondContact O-N 2.91Å |
| 17 | L | 54.5 | Low | 51.9 | Low | 148 Ų | 148 | 130.7 Ų | 130.7 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | | | trans | -60.1 | 88.8 | 164.8 | -166.9 | 73.5 | 0 | 0 | 0 | 104.4 | G15 V19 | G15-L17 PolarHBondContact O-N 2.96Å; L17-V19 PolarHBondContact O-N 3.15Å; L17-V19 VanDerWaalsContact CG-CG2 3.48Å; L17-V19 HydrophobicContact CD2-CG2 3.37Å; L17-V19 HydrophobicContact CB-CG2 4.21Å; L17-V19 HydrophobicContact CG-CG2 3.48Å |
| 18 | F | 55.3 | Low | 51.6 | Low | 181 Ų | 181 | 136 Ų | 136 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | | | trans | -62.4 | 81.4 | 161.3 | -77.2 | -87.7 | 0 | 0 | 0 | 104.9 | S16 Y20 | S16-F18 WeakPolarHBondContact O-CD2 3.14Å; S16-F18 PolarHBondContact O-N 2.91Å; F18-Y20 PolarHBondContact O-N 3.1Å |
| 19 | V | 50.6 | Low | 51.6 | Low | 96 Ų | 96 | 132.1 Ų | 132.1 | 58% | 0.582 | 70% | 0.699 | S | S | * | * | | | trans | -70.8 | 71.2 | 162.8 | -172 | 0 | 0 | 0 | 0 | 104.7 | L17 N21 | L17-V19 PolarHBondContact O-N 3.15Å; L17-V19 VanDerWaalsContact CG-CG2 3.48Å; L17-V19 HydrophobicContact CD2-CG2 3.37Å; L17-V19 HydrophobicContact CB-CG2 4.21Å; L17-V19 HydrophobicContact CG-CG2 3.48Å; V19-N21 HydrophobicContact CG1-CB 4.19Å; V19-N21 PolarHBondContact O-N 2.78Å |
| 20 | Y | 50.2 | Low | 51.7 | Low | 198 Ų | 198 | 136.6 Ų | 136.6 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | | | trans | -66.9 | 87.9 | 160.3 | -157.6 | -93.4 | 0 | 0 | 0 | 104.7 | F18 I22 | F18-Y20 PolarHBondContact O-N 3.1Å; Y20-I22 VanDerWaalsContact C-N 3.29Å; Y20-I22 HydrophobicContact CD1-CG1 3.8Å; Y20-I22 HydrophobicContact CE1-CG1 4.36Å; Y20-I22 PolarHBondContact O-N 2.71Å |
| 21 | N | 42.4 | Very low | 51.9 | Low | 81 Ų | 81 | 139.2 Ų | 139.2 | 43% | 0.433 | 71% | 0.705 | S | S | . | * | | | trans | -74.1 | 90.9 | -178.4 | -151.8 | -0.5 | 0 | 0 | 0 | 107 | V19 T23 T24 | V19-N21 HydrophobicContact CG1-CB 4.19Å; V19-N21 PolarHBondContact O-N 2.78Å; N21-T23 PolarHBondContact O-N 2.75Å; N21-T23 PolarHBondContact OD1-OG1 2.89Å; N21-T24 PolarHBondContact O-N 2.7Å; N21-T24 VanDerWaalsContact O-N 3.1Å; N21-T24 PolarHBondContact O-OG1 2.85Å |
| 22 | I | 54.2 | Low | 51.7 | Low | 149 Ų | 149 | 141.1 Ų | 141.1 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -5.4 | 172.5 | -62.2 | 179 | 0 | 0 | 0 | 111.2 | Y20 | Y20-I22 VanDerWaalsContact C-N 3.29Å; Y20-I22 HydrophobicContact CD1-CG1 3.8Å; Y20-I22 HydrophobicContact CE1-CG1 4.36Å; Y20-I22 PolarHBondContact O-N 2.71Å |
| 23 | T | 52.9 | Low | 52.1 | Low | 117 Ų | 117 | 140.5 Ų | 140.5 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -7.7 | 176.9 | -10.2 | 0 | 0 | 0 | 0 | 114.7 | N21 N25 | N21-T23 PolarHBondContact O-N 2.75Å; N21-T23 PolarHBondContact OD1-OG1 2.89Å; T23-N25 PolarHBondContact O-N 3.35Å |
| 24 | T | 51.1 | Low | 52.6 | Low | 81 Ų | 81 | 136.7 Ų | 136.7 | 50% | 0.497 | 70% | 0.702 | S | S | . | * | | | trans | -93.3 | 59.6 | 169 | 50 | 0 | 0 | 0 | 0 | 110.4 | N21 K26 | N21-T24 PolarHBondContact O-N 2.7Å; N21-T24 VanDerWaalsContact O-N 3.1Å; N21-T24 PolarHBondContact O-OG1 2.85Å; T24-K26 PolarHBondContact O-N 2.88Å |
| 25 | N | 52.4 | Low | 52.4 | Low | 152 Ų | 152 | 138.4 Ų | 138.4 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 36.2 | 153.8 | -159.7 | 14.7 | 0 | 0 | 0 | 111 | T23 | T23-N25 PolarHBondContact O-N 3.35Š|
| 26 | K | 49.3 | Very low | 52.7 | Low | 133 Ų | 133 | 141.5 Ų | 141.5 | 58% | 0.578 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | 17.3 | -176.1 | -102.7 | -154.1 | -179.9 | -172.6 | 0 | 112.3 | T24 K28 F30 | T24-K26 PolarHBondContact O-N 2.88Å; K26-K28 PolarHBondContact O-N 3.28Å; K26-F30 HydrophobicContact CD-CE2 4.23Å |
| 27 | Y | 54.6 | Low | 52.5 | Low | 206 Ų | 206 | 144.9 Ų | 144.9 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 2 | 164.9 | -114 | -83.6 | 0 | 0 | 0 | 113.7 | | |
| 28 | K | 50.8 | Low | 52.5 | Low | 192 Ų | 192 | 146.7 Ų | 146.7 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -7.9 | -179.1 | -79.5 | -164.1 | 164.4 | -159.7 | 0 | 116.3 | K26 | K26-K28 PolarHBondContact O-N 3.28Š|
| 29 | A | 52.7 | Low | 52.5 | Low | 60 Ų | 60 | 148.2 Ų | 148.2 | 50% | 0.496 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.2 | -11 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 30 | F | 51.9 | Low | 52.2 | Low | 159 Ų | 159 | 147 Ų | 147 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -112.2 | 12.9 | -177.6 | -78.6 | -77.9 | 0 | 0 | 0 | 114.6 | K26 | K26-F30 HydrophobicContact CD-CE2 4.23Š|
| 31 | L | 52.2 | Low | 52 | Low | 158 Ų | 158 | 142.9 Ų | 142.9 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -115.5 | -8 | 172.1 | -127.2 | 102.7 | 0 | 0 | 0 | 114.8 | | |
| 32 | D | 52 | Low | 52.4 | Low | 140 Ų | 140 | 149.9 Ų | 149.9 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -130 | 17.8 | -168.1 | -163.8 | -114.6 | 0 | 0 | 0 | 114.6 | | |
| 33 | K | 56.4 | Low | 52.1 | Low | 187 Ų | 187 | 154.8 Ų | 154.8 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -150.3 | 8.6 | -178.1 | -122.6 | 175 | -169.3 | 178.2 | 0 | 119.7 | | |
| 34 | Q | 58.5 | Low | 52 | Low | 181 Ų | 181 | 156.7 Ų | 156.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -144.7 | 106.8 | 173 | -69.4 | -173.8 | -28.7 | 0 | 0 | 111.9 | | |
| 35 | N | 51.9 | Low | 52.1 | Low | 137 Ų | 137 | 160.6 Ų | 160.6 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | 111.4 | 71.1 | 145.9 | -141.4 | 61 | 0 | 0 | 0 | 117.4 | | |
| 36 | Q | 54.1 | Low | 52 | Low | 145 Ų | 145 | 161.1 Ų | 161.1 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | | 54.2 | 103.7 | 118.6 | -64.7 | -179.6 | -4.9 | 0 | 0 | 116.5 | K38 | Q36-K38 PolarHBondContact O-N 2.72Š|
| 37 | V | 53.7 | Low | 52.2 | Low | 142 Ų | 142 | 162.8 Ų | 162.8 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | | | trans | -19.2 | 103.2 | 140 | -83.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 38 | K | 55.5 | Low | 52 | Low | 185 Ų | 185 | 160.1 Ų | 160.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -138.4 | 109 | 151.9 | -78.6 | -165.1 | 176.5 | 179.5 | 0 | 109.1 | Q36 | Q36-K38 PolarHBondContact O-N 2.72Š|
| 39 | F | 55.7 | Low | 52.1 | Low | 214 Ų | 214 | 157.9 Ų | 157.9 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | | | trans | -38 | 143.6 | 162.2 | -75.3 | -106.6 | 0 | 0 | 0 | 112.4 | | |
| 40 | G | 43.8 | Very low | 52.1 | Low | 71 Ų | 71 | 164.9 Ų | 164.9 | 73% | 0.732 | 83% | 0.833 | S | S | * | * | | | trans | 160.3 | 84.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 41 | S | 45.5 | Very low | 52.1 | Low | 110 Ų | 110 | 165.4 Ų | 165.4 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | | | trans | 46.6 | 117.3 | 144 | -58.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 42 | Y | 50.1 | Low | 52.1 | Low | 228 Ų | 228 | 166 Ų | 166 | 89% | 0.894 | 85% | 0.845 | S | S | * | * | | | | 7 | 122.7 | 127 | -60.3 | -86.8 | 0 | 0 | 0 | 117 | | |
| 43 | L | 47.9 | Very low | 52.1 | Low | 252 Ų | 252 | 168.4 Ų | 168.4 | 100% | 1.319 | 85% | 0.853 | S | S | * | * | | | trans | -146.6 | 0 | 135.6 | -91.1 | 170.3 | 0 | 0 | 0 | 108.3 | | |