| 1 | M | 54.8 | Low | 51.5 | Low | 252 Ų | 252 | 145.4 Ų | 145.4 | 100% | 1.241 | 86% | 0.858 | S | S | * | * | | | | 0 | 109 | 0 | -71.8 | 164.8 | 102 | 0 | 0 | 107.7 | | |
| 2 | M | 40.9 | Very low | 51.7 | Low | 195 Ų | 195 | 146.3 Ų | 146.3 | 96% | 0.961 | 86% | 0.855 | S | S | * | * | | | trans | -85.7 | 135.4 | 172.9 | -77.3 | 158.2 | 148.4 | 0 | 0 | 109 | | |
| 3 | S | 47.3 | Very low | 51.7 | Low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | | | trans | -167.3 | 90.7 | 153.4 | -159.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 4 | V | 55.8 | Low | 51.9 | Low | 134 Ų | 134 | 147.4 Ų | 147.4 | 81% | 0.812 | 84% | 0.843 | S | S | * | * | | | | 74.4 | 101.1 | 87.3 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 5 | G | 44.8 | Very low | 52.1 | Low | 69 Ų | 69 | 145.4 Ų | 145.4 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | | | trans | 63.7 | 86.4 | 133.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 6 | S | 48 | Very low | 52.3 | Low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | -106.7 | 84.4 | 148.9 | -154.5 | 0 | 0 | 0 | 0 | 108 | C8 | S6-C8 PolarHBondContact O-N 3.19Š|
| 7 | F | 57.7 | Low | 52.4 | Low | 189 Ų | 189 | 147.7 Ų | 147.7 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | | | trans | -65.5 | 127.4 | 174.8 | -131.5 | -99.3 | 0 | 0 | 0 | 108.3 | I9 | F7-I9 PolarHBondContact O-N 3.26Å; F7-I9 VanDerWaalsContact O-N 3.15Å |
| 8 | C | 51.4 | Low | 52.5 | Low | 125 Ų | 125 | 144.3 Ų | 144.3 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | | | trans | -62.5 | 108.8 | -176.7 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | S6 | S6-C8 PolarHBondContact O-N 3.19Š|
| 9 | I | 58.5 | Low | 52.8 | Low | 137 Ų | 137 | 141.7 Ų | 141.7 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | | | trans | -116.6 | 1.2 | 176.9 | -68.5 | -172.5 | 0 | 0 | 0 | 113.7 | F7 | F7-I9 PolarHBondContact O-N 3.26Å; F7-I9 VanDerWaalsContact O-N 3.15Å |
| 10 | N | 53.4 | Low | 53 | Low | 162 Ų | 162 | 142.9 Ų | 142.9 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | | | trans | -113 | 29.6 | -173.2 | -70.9 | -19.9 | 0 | 0 | 0 | 116 | | |
| 11 | A | 53.7 | Low | 53.2 | Low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -101.5 | 53.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 12 | L | 54.2 | Low | 53.4 | Low | 156 Ų | 156 | 133.5 Ų | 133.5 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | | | trans | -99.9 | 112.5 | 172.2 | -138.1 | 78.9 | 0 | 0 | 0 | 109.1 | K14 | L12-K14 PolarHBondContact O-N 3.22Š|
| 13 | P | 52.1 | Low | 54.5 | Low | 95 Ų | 95 | 132.5 Ų | 132.5 | 62% | 0.617 | 74% | 0.742 | S | S | * | * | | | trans | -69.3 | 125.4 | -175.9 | 27.1 | -32.1 | 0 | 0 | 0 | 110.6 | T15 | P13-T15 PolarHBondContact O-N 3.37Š|
| 14 | K | 54.5 | Low | 55.5 | Low | 214 Ų | 214 | 131.1 Ų | 131.1 | 93% | 0.93 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 38.5 | 176.4 | -70.5 | -178.2 | -179.8 | 173.9 | 0 | 113.4 | L12 | L12-K14 PolarHBondContact O-N 3.22Š|
| 15 | T | 55.2 | Low | 56.3 | Low | 117 Ų | 117 | 128.9 Ų | 128.9 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 5.8 | 179.5 | 40.8 | 0 | 0 | 0 | 0 | 114.2 | P13 R17 | P13-T15 PolarHBondContact O-N 3.37Å; T15-R17 VanDerWaalsContact C-N 3.34Å; T15-R17 PolarHBondContact O-N 3.34Å |
| 16 | A | 54.6 | Low | 58.1 | Low | 81 Ų | 81 | 131.3 Ų | 131.3 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 5.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 17 | R | 54.5 | Low | 59.6 | Low | 249 Ų | 249 | 131.1 Ų | 131.1 | 94% | 0.94 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 12.2 | -176.6 | -77.1 | -170.3 | -173.1 | 176.8 | 2 | 115.6 | T15 | T15-R17 VanDerWaalsContact C-N 3.34Å; T15-R17 PolarHBondContact O-N 3.34Å |
| 18 | S | 54.4 | Low | 60.7 | Low | 87 Ų | 87 | 127.9 Ų | 127.9 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -125.1 | 42 | 179.4 | -159.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 19 | I | 57.4 | Low | 62.3 | Low | 95 Ų | 95 | 126.5 Ų | 126.5 | 49% | 0.487 | 67% | 0.67 | S | S | . | * | | | trans | -117.5 | -15.9 | 178.1 | -55.5 | 172.9 | 0 | 0 | 0 | 111.7 | L22 R23 | I19-L22 PolarHBondContact O-N 2.66Å; I19-R23 PolarHBondContact O-N 3.07Å |
| 20 | Q | 56.3 | Low | 63.6 | Low | 165 Ų | 165 | 125.8 Ų | 125.8 | 77% | 0.771 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63.9 | -42 | 178.4 | -64 | -153.4 | -18.3 | 0 | 0 | 115 | L22 R23 V24 | Q20-L22 VanDerWaalsContact C-N 3.27Å; Q20-L22 PolarHBondContact O-N 3.19Å; Q20-R23 PolarHBondContact O-N 2.89Å; Q20-V24 PolarHBondContact O-N 3.23Å |
| 21 | P | 57.7 | Low | 65.1 | Low | 79 Ų | 79 | 123.3 Ų | 123.3 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -69.4 | -27.1 | 179.6 | 27.1 | -33.4 | 0 | 0 | 0 | 112.6 | T25 | P21-T25 WeakPolarHBondContact O-CG2 3.07Å; P21-T25 PolarHBondContact O-N 3.24Å; P21-T25 VanDerWaalsContact O-N 3.12Å; P21-T25 PolarHBondContact O-OG1 3.05Å |
| 22 | L | 59.3 | Low | 66.6 | Low | 118 Ų | 118 | 125.8 Ų | 125.8 | 62% | 0.618 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.1 | -31.7 | 175.5 | -89.7 | 151.1 | 0 | 0 | 0 | 112.6 | I19 Q20 T25 L26 | I19-L22 PolarHBondContact O-N 2.66Å; Q20-L22 VanDerWaalsContact C-N 3.27Å; Q20-L22 PolarHBondContact O-N 3.19Å; L22-T25 WeakPolarHBondContact CA-OG1 3.1Å; L22-T25 PolarHBondContact O-OG1 3.25Å; L22-L26 WeakPolarHBondContact O-CB 3.1Å; L22-L26 PolarHBondContact O-N 3.05Å |
| 23 | R | 63 | Low | 68.1 | Low | 174 Ų | 174 | 121.9 Ų | 121.9 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.7 | -44.1 | 175.3 | -68.3 | -145 | 179.7 | -164.7 | 1.1 | 112.3 | I19 Q20 T25 L26 E27 | I19-R23 PolarHBondContact O-N 3.07Å; Q20-R23 PolarHBondContact O-N 2.89Å; R23-T25 VanDerWaalsContact C-N 3.32Å; R23-T25 PolarHBondContact O-N 3.37Å; R23-L26 PolarHBondContact O-N 3.44Å; R23-E27 WeakPolarHBondContact O-CG 3.31Å; R23-E27 PolarHBondContact O-N 2.86Å |
| 24 | V | 68.3 | Low | 69.8 | Low | 86 Ų | 86 | 122.5 Ų | 122.5 | 52% | 0.521 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.1 | -40.2 | 178.6 | 180 | 0 | 0 | 0 | 0 | 111 | Q20 E27 M28 | Q20-V24 PolarHBondContact O-N 3.23Å; V24-E27 PolarHBondContact O-N 2.78Å; V24-M28 HydrophobicContact CG1-CG 4.34Å; V24-M28 WeakPolarHBondContact O-CB 3.32Å; V24-M28 WeakPolarHBondContact O-CG 3.47Å; V24-M28 PolarHBondContact O-N 3.1Å |
| 25 | T | 74.4 | Confident | 71.2 | Confident | 87 Ų | 87 | 113.9 Ų | 113.9 | 53% | 0.534 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.7 | -37.3 | 177 | 46.6 | 0 | 0 | 0 | 0 | 112.9 | P21 L22 R23 L29 | P21-T25 WeakPolarHBondContact O-CG2 3.07Å; P21-T25 PolarHBondContact O-N 3.24Å; P21-T25 VanDerWaalsContact O-N 3.12Å; P21-T25 PolarHBondContact O-OG1 3.05Å; L22-T25 WeakPolarHBondContact CA-OG1 3.1Å; L22-T25 PolarHBondContact O-OG1 3.25Å; R23-T25 VanDerWaalsContact C-N 3.32Å; R23-T25 PolarHBondContact O-N 3.37Å; T25-L29 VanDerWaalsContact O-CB 3.29Å; T25-L29 WeakPolarHBondContact O-CB 3.22Å; T25-L29 PolarHBondContact O-N 3.29Å |
| 26 | L | 80.6 | Confident | 72.4 | Confident | 119 Ų | 119 | 110.6 Ų | 110.6 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.3 | -44.1 | 175.3 | -172.3 | 72.6 | 0 | 0 | 0 | 112 | L22 R23 L29 L30 | L22-L26 WeakPolarHBondContact O-CB 3.1Å; L22-L26 PolarHBondContact O-N 3.05Å; R23-L26 PolarHBondContact O-N 3.44Å; L26-L29 PolarHBondContact O-N 2.84Å; L26-L30 WeakPolarHBondContact O-CB 3.31Å; L26-L30 PolarHBondContact O-N 2.87Å |
| 27 | E | 80.2 | Confident | 73.6 | Confident | 120 Ų | 120 | 112.5 Ų | 112.5 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.8 | -44.8 | 176.9 | -73 | 174.4 | -173.8 | 0 | 0 | 111.2 | R23 V24 L29 L30 L31 | R23-E27 WeakPolarHBondContact O-CG 3.31Å; R23-E27 PolarHBondContact O-N 2.86Å; V24-E27 PolarHBondContact O-N 2.78Å; E27-L29 PolarHBondContact O-N 2.91Å; E27-L30 PolarHBondContact O-N 2.89Å; E27-L31 WeakPolarHBondContact O-CG 3.39Å; E27-L31 PolarHBondContact O-N 2.69Å |
| 28 | M | 80.7 | Confident | 74.7 | Confident | 121 Ų | 121 | 104.4 Ų | 104.4 | 60% | 0.596 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.9 | -39.4 | 176.9 | -68.8 | -63.7 | -72.5 | 0 | 0 | 112.4 | V24 L31 F32 | V24-M28 HydrophobicContact CG1-CG 4.34Å; V24-M28 WeakPolarHBondContact O-CB 3.32Å; V24-M28 WeakPolarHBondContact O-CG 3.47Å; V24-M28 PolarHBondContact O-N 3.1Å; M28-L31 PolarHBondContact O-N 3.4Å; M28-L31 HydrophobicContact SD-CD1 4.47Å; M28-F32 WeakPolarHBondContact O-CB 3.14Å; M28-F32 PolarHBondContact O-N 2.82Å |
| 29 | L | 84.6 | Confident | 75.6 | Confident | 96 Ų | 96 | 109.9 Ų | 109.9 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.9 | -41.4 | 174.9 | -179.8 | 64 | 0 | 0 | 0 | 111.6 | T25 L26 E27 F32 L33 | T25-L29 VanDerWaalsContact O-CB 3.29Å; T25-L29 WeakPolarHBondContact O-CB 3.22Å; T25-L29 PolarHBondContact O-N 3.29Å; L26-L29 PolarHBondContact O-N 2.84Å; E27-L29 PolarHBondContact O-N 2.91Å; L29-F32 PolarHBondContact O-N 3.26Å; L29-L33 HydrophobicContact CD1-CD1 4.32Å; L29-L33 HydrophobicContact CG-CD1 3.99Å; L29-L33 WeakPolarHBondContact O-CB 3.41Å; L29-L33 WeakPolarHBondContact O-CD1 3.39Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.26Å |
| 30 | L | 86.5 | Confident | 76.3 | Confident | 121 Ų | 121 | 110.2 Ų | 110.2 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.1 | -43.1 | 178 | -172.9 | 68.6 | 0 | 0 | 0 | 111.5 | L26 E27 F32 L33 L34 | L26-L30 WeakPolarHBondContact O-CB 3.31Å; L26-L30 PolarHBondContact O-N 2.87Å; E27-L30 PolarHBondContact O-N 2.89Å; L30-F32 VanDerWaalsContact C-N 3.35Å; L30-L33 PolarHBondContact O-N 3.42Å; L30-L34 WeakPolarHBondContact O-CB 3.48Å; L30-L34 PolarHBondContact O-N 2.88Å |
| 31 | L | 86 | Confident | 76.9 | Confident | 110 Ų | 110 | 108 Ų | 108 | 58% | 0.576 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.7 | -40.6 | 175.9 | -69.2 | 173.6 | 0 | 0 | 0 | 111.8 | E27 M28 L34 G35 | E27-L31 WeakPolarHBondContact O-CG 3.39Å; E27-L31 PolarHBondContact O-N 2.69Å; M28-L31 PolarHBondContact O-N 3.4Å; M28-L31 HydrophobicContact SD-CD1 4.47Å; L31-L34 PolarHBondContact O-N 3.03Å; L31-G35 PolarHBondContact O-N 2.95Å |
| 32 | F | 83.4 | Confident | 77.3 | Confident | 151 Ų | 151 | 109.3 Ų | 109.3 | 66% | 0.662 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -46.8 | 175.4 | 179.4 | -98 | 0 | 0 | 0 | 111.9 | M28 L29 L30 L34 G35 A36 | M28-F32 WeakPolarHBondContact O-CB 3.14Å; M28-F32 PolarHBondContact O-N 2.82Å; L29-F32 PolarHBondContact O-N 3.26Å; L30-F32 VanDerWaalsContact C-N 3.35Å; F32-L34 PolarHBondContact O-N 3.48Å; F32-G35 PolarHBondContact O-N 3.25Å; F32-A36 PolarHBondContact O-N 3.48Å |
| 33 | L | 85.7 | Confident | 77.5 | Confident | 75 Ų | 75 | 107.3 Ų | 107.3 | 39% | 0.393 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.3 | -46.6 | 175.8 | -76.7 | 159.2 | 0 | 0 | 0 | 111 | L29 L30 G35 A36 F37 | L29-L33 HydrophobicContact CD1-CD1 4.32Å; L29-L33 HydrophobicContact CG-CD1 3.99Å; L29-L33 WeakPolarHBondContact O-CB 3.41Å; L29-L33 WeakPolarHBondContact O-CD1 3.39Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.26Å; L30-L33 PolarHBondContact O-N 3.42Å; L33-G35 VanDerWaalsContact C-N 3.33Å; L33-G35 PolarHBondContact O-N 3.43Å; L33-A36 PolarHBondContact O-N 2.99Å; L33-F37 HydrophobicContact CB-CD2 4.45Å; L33-F37 HydrophobicContact CD2-CE2 4.23Å; L33-F37 WeakPolarHBondContact O-CD2 3.5Å; L33-F37 PolarHBondContact O-N 2.92Å |
| 34 | L | 87.5 | Confident | 77.2 | Confident | 108 Ų | 108 | 103.4 Ų | 103.4 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.5 | -40.7 | 178.9 | -170.5 | 64.4 | 0 | 0 | 0 | 112.1 | L30 L31 F32 T38 | L30-L34 WeakPolarHBondContact O-CB 3.48Å; L30-L34 PolarHBondContact O-N 2.88Å; L31-L34 PolarHBondContact O-N 3.03Å; F32-L34 PolarHBondContact O-N 3.48Å; L34-T38 VanDerWaalsContact O-CG2 3.31Å; L34-T38 WeakPolarHBondContact O-CG2 3.38Å; L34-T38 PolarHBondContact O-N 3.17Å; L34-T38 PolarHBondContact O-OG1 3.32Å |
| 35 | G | 84.3 | Confident | 76.7 | Confident | 32 Ų | 32 | 104.9 Ų | 104.9 | 33% | 0.33 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.2 | -39.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L31 F32 L33 T38 R39 | L31-G35 PolarHBondContact O-N 2.95Å; F32-G35 PolarHBondContact O-N 3.25Å; L33-G35 VanDerWaalsContact C-N 3.33Å; L33-G35 PolarHBondContact O-N 3.43Å; G35-T38 WeakPolarHBondContact CA-OG1 3.31Å; G35-T38 PolarHBondContact O-OG1 2.93Å; G35-R39 WeakPolarHBondContact O-CG 3.48Å; G35-R39 PolarHBondContact O-N 2.93Å |
| 36 | A | 80.3 | Confident | 75.8 | Confident | 48 Ų | 48 | 106.7 Ų | 106.7 | 40% | 0.397 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.3 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F32 L33 R39 L40 | F32-A36 PolarHBondContact O-N 3.48Å; L33-A36 PolarHBondContact O-N 2.99Å; A36-R39 PolarHBondContact O-N 3.39Å; A36-L40 WeakPolarHBondContact O-CB 3.45Å; A36-L40 PolarHBondContact O-N 3.44Å |
| 37 | F | 80.9 | Confident | 74.4 | Confident | 121 Ų | 121 | 103.9 Ų | 103.9 | 53% | 0.531 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -40.7 | 178 | -83.6 | -68.4 | 0 | 0 | 0 | 112.4 | L33 R39 L40 L41 | L33-F37 HydrophobicContact CB-CD2 4.45Å; L33-F37 HydrophobicContact CD2-CE2 4.23Å; L33-F37 WeakPolarHBondContact O-CD2 3.5Å; L33-F37 PolarHBondContact O-N 2.92Å; F37-R39 VanDerWaalsContact C-N 3.34Å; F37-R39 PolarHBondContact O-N 3.41Å; F37-L40 PolarHBondContact O-N 2.99Å; F37-L41 WeakPolarHBondContact O-CB 3.38Å; F37-L41 VanDerWaalsContact O-CG 3.31Å; F37-L41 WeakPolarHBondContact O-CG 3.41Å; F37-L41 PolarHBondContact O-N 3.38Å |
| 38 | T | 76.7 | Confident | 73.1 | Confident | 80 Ų | 80 | 106.1 Ų | 106.1 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.6 | -38.3 | 176.8 | 47.7 | 0 | 0 | 0 | 0 | 112.2 | L34 G35 S42 | L34-T38 VanDerWaalsContact O-CG2 3.31Å; L34-T38 WeakPolarHBondContact O-CG2 3.38Å; L34-T38 PolarHBondContact O-N 3.17Å; L34-T38 PolarHBondContact O-OG1 3.32Å; G35-T38 WeakPolarHBondContact CA-OG1 3.31Å; G35-T38 PolarHBondContact O-OG1 2.93Å; T38-S42 VanDerWaalsContact O-CB 3.29Å; T38-S42 WeakPolarHBondContact O-CB 3.34Å; T38-S42 PolarHBondContact O-N 2.88Å |
| 39 | R | 72.9 | Confident | 71.7 | Confident | 201 Ų | 201 | 110.9 Ų | 110.9 | 76% | 0.758 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.1 | -39.5 | 172.8 | -71.4 | -175.6 | 179.2 | -152.5 | 0.4 | 112.3 | G35 A36 F37 S42 A43 | G35-R39 WeakPolarHBondContact O-CG 3.48Å; G35-R39 PolarHBondContact O-N 2.93Å; A36-R39 PolarHBondContact O-N 3.39Å; F37-R39 VanDerWaalsContact C-N 3.34Å; F37-R39 PolarHBondContact O-N 3.41Å; R39-S42 PolarHBondContact O-N 2.94Å; R39-A43 VanDerWaalsContact O-CB 3.22Å; R39-A43 WeakPolarHBondContact O-CB 3.29Å; R39-A43 PolarHBondContact O-N 3.34Å |
| 40 | L | 72.4 | Confident | 70 | Confident | 102 Ų | 102 | 112.6 Ų | 112.6 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.8 | -44.9 | 177.2 | -168.3 | 69.6 | 0 | 0 | 0 | 111.1 | A36 F37 A43 L44 | A36-L40 WeakPolarHBondContact O-CB 3.45Å; A36-L40 PolarHBondContact O-N 3.44Å; F37-L40 PolarHBondContact O-N 2.99Å; L40-A43 CarbonylContact O-C 3.52Å; L40-A43 PolarHBondContact O-N 3.31Å; L40-L44 HydrophobicContact CD1-CD1 4.44Å; L40-L44 HydrophobicContact CG-CD1 4.1Å; L40-L44 WeakPolarHBondContact O-CD1 3.48Å; L40-L44 PolarHBondContact O-N 2.95Å |
| 41 | L | 70.3 | Confident | 68.3 | Low | 118 Ų | 118 | 113.8 Ų | 113.8 | 62% | 0.618 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.5 | -35.4 | 176.7 | -71 | 172.1 | 0 | 0 | 0 | 112.6 | F37 L44 | F37-L41 WeakPolarHBondContact O-CB 3.38Å; F37-L41 VanDerWaalsContact O-CG 3.31Å; F37-L41 WeakPolarHBondContact O-CG 3.41Å; F37-L41 PolarHBondContact O-N 3.38Å; L41-L44 PolarHBondContact O-N 3.02Å |
| 42 | S | 66 | Low | 66.7 | Low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.8 | -31.4 | 174.6 | -169.6 | 0 | 0 | 0 | 0 | 112.4 | T38 R39 | T38-S42 VanDerWaalsContact O-CB 3.29Å; T38-S42 WeakPolarHBondContact O-CB 3.34Å; T38-S42 PolarHBondContact O-N 2.88Å; R39-S42 PolarHBondContact O-N 2.94Å |
| 43 | A | 62.3 | Low | 65.1 | Low | 76 Ų | 76 | 112 Ų | 112 | 63% | 0.628 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -83.5 | -10.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R39 L40 P45 | R39-A43 VanDerWaalsContact O-CB 3.22Å; R39-A43 WeakPolarHBondContact O-CB 3.29Å; R39-A43 PolarHBondContact O-N 3.34Å; L40-A43 CarbonylContact O-C 3.52Å; L40-A43 PolarHBondContact O-N 3.31Å; A43-P45 WeakPolarHBondContact O-CD 3.33Å |
| 44 | L | 57.4 | Low | 63.3 | Low | 92 Ų | 92 | 118.8 Ų | 118.8 | 48% | 0.482 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -76.5 | 110 | 168.5 | -104.9 | 75.5 | 0 | 0 | 0 | 107.5 | L40 L41 V46 | L40-L44 HydrophobicContact CD1-CD1 4.44Å; L40-L44 HydrophobicContact CG-CD1 4.1Å; L40-L44 WeakPolarHBondContact O-CD1 3.48Å; L40-L44 PolarHBondContact O-N 2.95Å; L41-L44 PolarHBondContact O-N 3.02Å; L44-V46 VanDerWaalsContact C-N 3.27Å; L44-V46 PolarHBondContact O-N 3.25Å |
| 45 | P | 56.8 | Low | 61.5 | Low | 117 Ų | 117 | 121.8 Ų | 121.8 | 76% | 0.76 | 63% | 0.63 | S | S | * | * | | | trans | -64.7 | 98.1 | 164.2 | 28.4 | -32.3 | 0 | 0 | 0 | 106.8 | A43 N47 | A43-P45 WeakPolarHBondContact O-CD 3.33Å; P45-N47 PolarHBondContact O-N 3.22Å |
| 46 | V | 55.6 | Low | 60 | Low | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 65% | 0.654 | S | S | * | * | | | trans | -70.8 | 71.6 | 163.2 | -174.4 | 0 | 0 | 0 | 0 | 106 | L44 | L44-V46 VanDerWaalsContact C-N 3.27Å; L44-V46 PolarHBondContact O-N 3.25Å |
| 47 | N | 51.2 | Low | 58.4 | Low | 59 Ų | 59 | 132.7 Ų | 132.7 | 32% | 0.316 | 67% | 0.673 | S | S | . | * | | | trans | -127.2 | 62.2 | 174 | -138.9 | -23.1 | 0 | 0 | 0 | 110.9 | P45 R49 E50 | P45-N47 PolarHBondContact O-N 3.22Å; N47-R49 PolarHBondContact O-N 2.95Å; N47-R49 PolarHBondContact OD1-N 3.28Å; N47-E50 HydrophobicContact CB-CB 4.17Å; N47-E50 VanDerWaalsContact ND2-CB 3.32Å; N47-E50 WeakPolarHBondContact ND2-CB 3.18Å; N47-E50 WeakPolarHBondContact ND2-CG 3.4Å; N47-E50 PolarHBondContact ND2-OE2 3.49Å; N47-E50 WeakPolarHBondContact OD1-CB 3.34Å; N47-E50 PolarHBondContact OD1-N 2.91Å |
| 48 | E | 53.5 | Low | 56.8 | Low | 168 Ų | 168 | 130 Ų | 130 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 1.9 | 165.2 | -58.1 | -169.6 | 178.3 | 0 | 0 | 112.2 | | |
| 49 | R | 50.5 | Low | 55.5 | Low | 220 Ų | 220 | 128.5 Ų | 128.5 | 83% | 0.83 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | -15.7 | 178.7 | -69.8 | -172.3 | 175.3 | -172.6 | -1.5 | 115.8 | N47 T53 | N47-R49 PolarHBondContact O-N 2.95Å; N47-R49 PolarHBondContact OD1-N 3.28Å; R49-T53 PolarHBondContact O-OG1 3.34Å |
| 50 | E | 50 | Low | 54.4 | Low | 132 Ų | 132 | 124.9 Ų | 124.9 | 62% | 0.617 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -20.8 | 172.3 | -86 | -177.1 | 169.6 | 0 | 0 | 114 | N47 | N47-E50 HydrophobicContact CB-CB 4.17Å; N47-E50 VanDerWaalsContact ND2-CB 3.32Å; N47-E50 WeakPolarHBondContact ND2-CB 3.18Å; N47-E50 WeakPolarHBondContact ND2-CG 3.4Å; N47-E50 PolarHBondContact ND2-OE2 3.49Å; N47-E50 WeakPolarHBondContact OD1-CB 3.34Å; N47-E50 PolarHBondContact OD1-N 2.91Å |
| 51 | L | 51.4 | Low | 53.2 | Low | 147 Ų | 147 | 130.4 Ų | 130.4 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -30.5 | -179.3 | -149.6 | 90.7 | 0 | 0 | 0 | 112.3 | | |
| 52 | L | 51.8 | Low | 52 | Low | 135 Ų | 135 | 129.6 Ų | 129.6 | 71% | 0.707 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -20.3 | -176.3 | -79.6 | 157.3 | 0 | 0 | 0 | 114.1 | | |
| 53 | T | 50 | Low | 51.1 | Low | 88 Ų | 88 | 129.7 Ų | 129.7 | 54% | 0.54 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.5 | -23.9 | 177.8 | 38.1 | 0 | 0 | 0 | 0 | 112.6 | R49 | R49-T53 PolarHBondContact O-OG1 3.34Š|
| 54 | R | 48.3 | Very low | 50.5 | Low | 218 Ų | 218 | 132.7 Ų | 132.7 | 82% | 0.823 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -18 | -179.1 | -148.7 | 178.9 | -178.6 | -174.2 | 1 | 114.2 | | |
| 55 | E | 49.3 | Very low | 49.9 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -17.2 | 178.7 | -139.8 | -175.2 | -164.8 | 0 | 0 | 113.4 | | |
| 56 | L | 52.1 | Low | 49.4 | Very low | 158 Ų | 158 | 134 Ų | 134 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -16.2 | -176.7 | -121.7 | 80.2 | 0 | 0 | 0 | 114.9 | | |
| 57 | D | 47.7 | Very low | 48.9 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -108.1 | 5.9 | -177.3 | -98.5 | -28.5 | 0 | 0 | 0 | 114.5 | G59 | D57-G59 PolarHBondContact O-N 2.97Š|
| 58 | A | 47.3 | Very low | 49 | Very low | 65 Ų | 65 | 146.4 Ų | 146.4 | 54% | 0.537 | 77% | 0.765 | S | S | . | * | | | trans | -84.2 | 85.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 59 | G | 47.8 | Very low | 48.6 | Very low | 47 Ų | 47 | 143.5 Ų | 143.5 | 49% | 0.485 | 76% | 0.763 | S | S | . | * | | | trans | -49.8 | 176.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D57 Y61 | D57-G59 PolarHBondContact O-N 2.97Å; G59-Y61 PolarHBondContact O-N 2.99Å |
| 60 | P | 50.7 | Low | 48.6 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 29.9 | -155 | 28.1 | -35.9 | 0 | 0 | 0 | 117.4 | | |
| 61 | Y | 46.7 | Very low | 48.3 | Very low | 218 Ų | 218 | 141.8 Ų | 141.8 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.1 | 23.1 | -172.2 | -64.8 | -71.7 | 0 | 0 | 0 | 115.5 | G59 | G59-Y61 PolarHBondContact O-N 2.99Š|
| 62 | S | 44.8 | Very low | 48.3 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -133.3 | 81 | -178.9 | -168.4 | 0 | 0 | 0 | 0 | 113 | | |
| 63 | S | 48 | Very low | 47.8 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -140.1 | 48.2 | 175 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 64 | T | 50 | Low | 47.6 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -150 | 24.8 | -178.1 | -3.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 65 | C | 44 | Very low | 47.7 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | | | trans | -140.6 | 52.7 | 169.3 | -143.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 66 | A | 46.8 | Very low | 47.9 | Very low | 98 Ų | 98 | 137 Ų | 137 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -121.3 | 61.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 67 | K | 45.3 | Very low | 47.6 | Very low | 201 Ų | 201 | 132.2 Ų | 132.2 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -179.8 | 91.7 | 168.2 | -117.1 | 171.5 | 175.1 | 173 | 0 | 111.1 | | |
| 68 | R | 52.1 | Low | 47.6 | Very low | 244 Ų | 244 | 136.2 Ų | 136.2 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | | | trans | -158.9 | 120.5 | 147.1 | -125.2 | 171.8 | 173.2 | 125.5 | -3.4 | 112.9 | | |
| 69 | S | 46.8 | Very low | 47.8 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | 61.8 | 69.4 | 157.2 | 68.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 70 | L | 50.5 | Low | 48.1 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -101.2 | 69.2 | 139.5 | -152.8 | 143.8 | 0 | 0 | 0 | 106.3 | | |
| 71 | N | 43.9 | Very low | 48 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | -162.8 | 145.3 | 176.1 | -159.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 72 | I | 51.5 | Low | 48.2 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 68% | 0.677 | 80% | 0.799 | S | S | * | * | | | trans | 85.2 | 84.6 | 159.4 | -32.9 | 174.9 | 0 | 0 | 0 | 116.2 | | |
| 73 | I | 41.3 | Very low | 48.5 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | | 30.3 | 113.6 | 116.8 | -53.4 | 162.1 | 0 | 0 | 0 | 115.1 | | |
| 74 | S | 45.8 | Very low | 48.8 | Very low | 92 Ų | 92 | 152.1 Ų | 152.1 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | | | trans | -157.6 | 127.5 | 138.9 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | T76 | S74-T76 PolarHBondContact O-N 2.98Å; S74-T76 PolarHBondContact OG-OG1 3.46Å |
| 75 | D | 50.2 | Low | 48.8 | Very low | 166 Ų | 166 | 154.1 Ų | 154.1 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -66.5 | 39.3 | 178.5 | -82.1 | -47.3 | 0 | 0 | 0 | 114.2 | | |
| 76 | T | 52.9 | Low | 49.1 | Very low | 117 Ų | 117 | 155.9 Ų | 155.9 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | | | trans | -128.8 | 34.9 | -168.6 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | S74 | S74-T76 PolarHBondContact O-N 2.98Å; S74-T76 PolarHBondContact OG-OG1 3.46Å |
| 77 | G | 45.7 | Very low | 49.1 | Very low | 57 Ų | 57 | 160.2 Ų | 160.2 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | | | trans | -93.1 | 8.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | E79 | G77-E79 PolarHBondContact O-N 3.12Š|
| 78 | Y | 46.7 | Very low | 49.2 | Very low | 234 Ų | 234 | 159.5 Ų | 159.5 | 92% | 0.918 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 3.9 | -166.1 | -136.7 | -92.4 | 0 | 0 | 0 | 115.9 | | |
| 79 | E | 52 | Low | 49 | Very low | 178 Ų | 178 | 154.9 Ų | 154.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | 4.7 | -172.8 | -66 | -164.2 | 162.7 | 0 | 0 | 116.4 | G77 H81 | G77-E79 PolarHBondContact O-N 3.12Å; E79-H81 VanDerWaalsContact C-N 3.32Å; E79-H81 PolarHBondContact O-N 3.42Å |
| 80 | Q | 54.8 | Low | 49.1 | Very low | 173 Ų | 173 | 156.6 Ų | 156.6 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 12.8 | -175.4 | -85.1 | -170.5 | -41.7 | 0 | 0 | 116.2 | | |
| 81 | H | 48.2 | Very low | 48.7 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 2.7 | -176.6 | -86.4 | -82.4 | 0 | 0 | 0 | 116.4 | E79 | E79-H81 VanDerWaalsContact C-N 3.32Å; E79-H81 PolarHBondContact O-N 3.42Å |
| 82 | T | 50.2 | Low | 48.6 | Very low | 126 Ų | 126 | 154 Ų | 154 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -124.1 | -1.5 | -166.2 | -27.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 83 | E | 51.8 | Low | 48.3 | Very low | 166 Ų | 166 | 156 Ų | 156 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -110 | -2.6 | -173.8 | -148.1 | 175.2 | 172 | 0 | 0 | 115.6 | E85 | E83-E85 VanDerWaalsContact C-N 3.34Å; E83-E85 PolarHBondContact O-N 3.24Å |
| 84 | L | 55.1 | Low | 48.5 | Very low | 170 Ų | 170 | 154.3 Ų | 154.3 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -1.5 | -178.3 | -79.8 | 165 | 0 | 0 | 0 | 115.2 | | |
| 85 | E | 50.1 | Low | 48.8 | Very low | 181 Ų | 181 | 155.5 Ų | 155.5 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -5.9 | 179.1 | -73.3 | -167.7 | 154 | 0 | 0 | 115.2 | E83 | E83-E85 VanDerWaalsContact C-N 3.34Å; E83-E85 PolarHBondContact O-N 3.24Å |
| 86 | H | 49.5 | Very low | 48.3 | Very low | 173 Ų | 173 | 153 Ų | 153 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -110.3 | 0.1 | -172.5 | -88.9 | 72.6 | 0 | 0 | 0 | 116.7 | | |
| 87 | R | 47.5 | Very low | 48 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | trans | -110 | 22.8 | -178.2 | -94.2 | -172.4 | -177.7 | -169.6 | 2 | 115.5 | L89 | R87-L89 PolarHBondContact O-N 3.31Å; R87-L89 VanDerWaalsContact O-N 3.1Å |
| 88 | H | 47.7 | Very low | 47.7 | Very low | 186 Ų | 186 | 156 Ų | 156 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -75.8 | 13.2 | 175.9 | -147 | 66.1 | 0 | 0 | 0 | 114.5 | | |
| 89 | L | 47.5 | Very low | 47.9 | Very low | 148 Ų | 148 | 150.5 Ų | 150.5 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -135.9 | 132.8 | 175.9 | -68.6 | 160.4 | 0 | 0 | 0 | 106.9 | R87 | R87-L89 PolarHBondContact O-N 3.31Å; R87-L89 VanDerWaalsContact O-N 3.1Å |
| 90 | I | 48.5 | Very low | 47.4 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | trans | 103.6 | 93 | -178.8 | -49.8 | 152.4 | 0 | 0 | 0 | 113.4 | N92 | I90-N92 HydrophobicContact CG2-CB 4.14Å; I90-N92 PolarHBondContact O-N 3.35Å |
| 91 | P | 41.9 | Very low | 47 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | -79.9 | 95.3 | 159.2 | 32.3 | -25.2 | 0 | 0 | 0 | 107.9 | | |
| 92 | N | 42.2 | Very low | 46.6 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | -164.8 | 80.4 | 163.3 | -100.7 | -18.7 | 0 | 0 | 0 | 109 | I90 | I90-N92 HydrophobicContact CG2-CB 4.14Å; I90-N92 PolarHBondContact O-N 3.35Å |
| 93 | F | 45.4 | Very low | 46.4 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 77% | 0.768 | 79% | 0.791 | S | S | * | * | | | trans | -113 | 86 | 164.4 | -113 | -87.3 | 0 | 0 | 0 | 108.4 | | |
| 94 | T | 45.8 | Very low | 46.3 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | | | trans | -79.8 | 118 | 155.3 | 21.1 | 0 | 0 | 0 | 0 | 107.7 | C96 | T94-C96 PolarHBondContact O-N 3.31Š|
| 95 | P | 51.6 | Low | 45.8 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -80.7 | 104.3 | 170 | 29.9 | -26.9 | 0 | 0 | 0 | 108.8 | C97 | P95-C97 PolarHBondContact O-N 3.36Š|
| 96 | C | 38.8 | Very low | 45.8 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | -60.9 | 108.9 | 161.9 | -70.3 | 0 | 0 | 0 | 0 | 109.7 | T94 | T94-C96 PolarHBondContact O-N 3.31Š|
| 97 | C | 46.1 | Very low | 45.7 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | -134.1 | 78.9 | 152.1 | -82.6 | 0 | 0 | 0 | 0 | 107.9 | P95 S99 | P95-C97 PolarHBondContact O-N 3.36Å; C97-S99 PolarHBondContact O-N 3.42Å |
| 98 | S | 40.8 | Very low | 45.8 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -58.6 | 118.2 | 162.1 | -54.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 99 | S | 50.6 | Low | 45.9 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -150.5 | 102.9 | 153.9 | -72.1 | 0 | 0 | 0 | 0 | 107.2 | C97 L101 | C97-S99 PolarHBondContact O-N 3.42Å; S99-L101 PolarHBondContact O-N 2.87Å |
| 100 | A | 40.7 | Very low | 46 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -51.2 | 124.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 101 | L | 47.2 | Very low | 46 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -139.1 | 98.6 | 148.9 | -147.2 | 75.5 | 0 | 0 | 0 | 108.6 | S99 N103 | S99-L101 PolarHBondContact O-N 2.87Å; L101-N103 PolarHBondContact O-N 3.34Å |
| 102 | S | 40.1 | Very low | 46.3 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | trans | -47.8 | 109 | 167.6 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 103 | N | 46.4 | Very low | 46.5 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -110.5 | 81.3 | 164.4 | -118.8 | 3.1 | 0 | 0 | 0 | 108.1 | L101 N105 | L101-N103 PolarHBondContact O-N 3.34Å; N103-N105 PolarHBondContact O-N 3.15Å |
| 104 | T | 48.5 | Very low | 46.5 | Very low | 106 Ų | 106 | 136 Ų | 136 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | | | trans | -63.8 | 108.1 | 151.8 | 48.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 105 | N | 45.7 | Very low | 46.4 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 84% | 0.84 | S | S | * | * | | | trans | 153.9 | 95.5 | 156 | -79.3 | -23.7 | 0 | 0 | 0 | 107.8 | N103 | N103-N105 PolarHBondContact O-N 3.15Š|
| 106 | N | 50.1 | Low | 46.1 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 84% | 0.844 | S | S | * | * | | | trans | 151.7 | 75.9 | 146.7 | -76.4 | -12.8 | 0 | 0 | 0 | 110.4 | | |
| 107 | D | 46 | Very low | 46.5 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 81% | 0.807 | 85% | 0.848 | S | S | * | * | | | trans | -136.4 | 44.8 | 150 | -85 | -42.7 | 0 | 0 | 0 | 109 | N109 | D107-N109 PolarHBondContact O-N 3.47Š|
| 108 | L | 50.9 | Low | 46.6 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 91% | 0.906 | 85% | 0.848 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 76.8 | 154.9 | -94.5 | 155.6 | 0 | 0 | 0 | 107.1 | | |
| 109 | N | 48.3 | Very low | 46.9 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 88% | 0.882 | 85% | 0.851 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.5 | 21.1 | 147.4 | -129.6 | 8.8 | 0 | 0 | 0 | 117.2 | D107 | D107-N109 PolarHBondContact O-N 3.47Š|
| 110 | M | 50 | Low | 46.7 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 76% | 0.764 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -114.4 | 123 | 176.6 | -128.6 | -175.7 | -64.9 | 0 | 0 | 110.5 | | |
| 111 | V | 49.2 | Very low | 47.1 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 71% | 0.709 | 85% | 0.854 | S | S | * | * | | | trans | 88 | 75.3 | 166.4 | -161.8 | 0 | 0 | 0 | 0 | 115.3 | E113 | V111-E113 VanDerWaalsContact C-N 3.3Å; V111-E113 HydrophobicContact CG1-CB 4.36Å; V111-E113 VanDerWaalsContact CG1-O 3.31Å; V111-E113 WeakPolarHBondContact CG1-O 3.41Å |
| 112 | L | 48.6 | Very low | 47 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 94% | 0.942 | 85% | 0.854 | S | S | * | * | | | trans | -89.8 | 71.3 | 150 | -147 | 157.9 | 0 | 0 | 0 | 106.4 | | |
| 113 | E | 45.5 | Very low | 47.6 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 75% | 0.748 | 87% | 0.867 | S | S | * | * | | | trans | -163 | 129.6 | 173.7 | -113.5 | -179.2 | 154.6 | 0 | 0 | 109.5 | V111 | V111-E113 VanDerWaalsContact C-N 3.3Å; V111-E113 HydrophobicContact CG1-CB 4.36Å; V111-E113 VanDerWaalsContact CG1-O 3.31Å; V111-E113 WeakPolarHBondContact CG1-O 3.41Å |
| 114 | T | 45.6 | Very low | 47.7 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 90% | 0.902 | 87% | 0.871 | S | S | * | * | | | trans | 77.3 | 95.9 | 171.8 | 65.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 115 | G | 43.8 | Very low | 47.6 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 100% | 1.629 | 89% | 0.891 | S | S | * | * | | | trans | 167.4 | 0 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |