| 1 | M | 34.9 | Very low | 41.8 | Very low | 241 Ų | 241 | 168.7 Ų | 168.7 | 100% | 1.187 | 82% | 0.82 | S | S | * | * | | | | 0 | 146.7 | 0 | -81.8 | -176.7 | 150.2 | 0 | 0 | 108.3 | | |
| 2 | S | 38.6 | Very low | 42.4 | Very low | 104 Ų | 104 | 164.2 Ų | 164.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | 67.1 | 81.2 | -177.3 | 62.8 | 0 | 0 | 0 | 0 | 117.6 | D4 | S2-D4 PolarHBondContact O-N 3.1Š|
| 3 | S | 41.2 | Very low | 42.7 | Very low | 111 Ų | 111 | 169.8 Ų | 169.8 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | | | trans | -82.8 | 81.8 | 157.8 | 50.5 | 0 | 0 | 0 | 0 | 109.8 | F5 | S3-F5 VanDerWaalsContact C-N 3.3Å; S3-F5 PolarHBondContact O-N 3.24Å |
| 4 | D | 43.9 | Very low | 43.2 | Very low | 126 Ų | 126 | 165.2 Ų | 165.2 | 67% | 0.674 | 80% | 0.799 | S | S | * | * | | | trans | -92 | 68.1 | 171.2 | -65.9 | -29.6 | 0 | 0 | 0 | 109.1 | S2 F6 | S2-D4 PolarHBondContact O-N 3.1Å; D4-F6 PolarHBondContact O-N 3.34Å; D4-F6 VanDerWaalsContact O-N 3.09Å |
| 5 | F | 40.9 | Very low | 43.5 | Very low | 182 Ų | 182 | 165.7 Ų | 165.7 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | -73.3 | 97.9 | 163.8 | -105.7 | -88.3 | 0 | 0 | 0 | 107.3 | S3 F7 | S3-F5 VanDerWaalsContact C-N 3.3Å; S3-F5 PolarHBondContact O-N 3.24Å; F5-F7 VanDerWaalsContact C-N 3.33Å; F5-F7 PolarHBondContact O-N 3.18Å |
| 6 | F | 42.9 | Very low | 44.2 | Very low | 191 Ų | 191 | 163 Ų | 163 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -54.1 | 94.1 | 167.3 | -83.3 | -97.5 | 0 | 0 | 0 | 109.6 | D4 S8 | D4-F6 PolarHBondContact O-N 3.34Å; D4-F6 VanDerWaalsContact O-N 3.09Å; F6-S8 PolarHBondContact O-N 3.07Å |
| 7 | F | 39.9 | Very low | 44.8 | Very low | 189 Ų | 189 | 155.8 Ų | 155.8 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -70 | 90.9 | 160.9 | -81 | -82.5 | 0 | 0 | 0 | 107.4 | F5 K9 | F5-F7 VanDerWaalsContact C-N 3.33Å; F5-F7 PolarHBondContact O-N 3.18Å; F7-K9 PolarHBondContact O-N 3.29Å |
| 8 | S | 42.1 | Very low | 45.5 | Very low | 87 Ų | 87 | 152.8 Ų | 152.8 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | -44.7 | 122 | 160.6 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | F6 F10 | F6-S8 PolarHBondContact O-N 3.07Å; S8-F10 PolarHBondContact O-N 3.43Å |
| 9 | K | 51.9 | Low | 46 | Very low | 199 Ų | 199 | 150.7 Ų | 150.7 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | | | trans | -57.2 | 89.3 | 170.8 | -83.4 | 175.7 | 174.8 | 175.3 | 0 | 107.4 | F7 W11 | F7-K9 PolarHBondContact O-N 3.29Å; K9-W11 PolarHBondContact O-N 3.41Å |
| 10 | F | 42.3 | Very low | 46.4 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | trans | -60.9 | 100.6 | 157.8 | -80.3 | -83.8 | 0 | 0 | 0 | 105 | S8 T12 | S8-F10 PolarHBondContact O-N 3.43Å; F10-T12 PolarHBondContact O-N 3.33Å |
| 11 | W | 41.2 | Very low | 46.8 | Very low | 247 Ų | 247 | 146.1 Ų | 146.1 | 94% | 0.936 | 73% | 0.732 | S | S | * | * | | | trans | -57.2 | 88.1 | 157.2 | -126.7 | 26.7 | 0 | 0 | 0 | 104.7 | K9 R13 | K9-W11 PolarHBondContact O-N 3.41Å; W11-R13 PolarHBondContact O-N 3.2Å |
| 12 | T | 48.6 | Very low | 48 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | | | trans | -57.8 | 100.5 | 167.8 | 31.3 | 0 | 0 | 0 | 0 | 104.6 | F10 N14 | F10-T12 PolarHBondContact O-N 3.33Å; T12-N14 VanDerWaalsContact C-N 3.34Å; T12-N14 PolarHBondContact O-N 2.89Å |
| 13 | R | 46.8 | Very low | 48.7 | Very low | 237 Ų | 237 | 143.3 Ų | 143.3 | 89% | 0.894 | 71% | 0.706 | S | S | * | * | | | trans | -46.7 | 108.4 | 164.7 | -83.3 | 169.1 | 77.7 | 141.8 | -2.1 | 105 | W11 K15 | W11-R13 PolarHBondContact O-N 3.2Å; R13-K15 PolarHBondContact O-N 3.03Å |
| 14 | N | 49.5 | Very low | 49.2 | Very low | 106 Ų | 106 | 147.4 Ų | 147.4 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | | | trans | -44.7 | 122.3 | 167.7 | -67.3 | -8.2 | 0 | 0 | 0 | 105.5 | T12 D18 | T12-N14 VanDerWaalsContact C-N 3.34Å; T12-N14 PolarHBondContact O-N 2.89Å; N14-D18 HydrophobicContact CB-CB 4.38Å |
| 15 | K | 48 | Very low | 49.4 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | | | trans | -53 | 141.7 | 175.9 | -70.8 | -173.3 | 179.4 | -179.3 | 0 | 106.2 | R13 G17 D18 | R13-K15 PolarHBondContact O-N 3.03Å; K15-G17 PolarHBondContact O-N 3.32Å; K15-D18 PolarHBondContact O-N 3.03Å |
| 16 | P | 54.3 | Low | 49.9 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -0.5 | -174.4 | 20.7 | -32 | 0 | 0 | 0 | 115.3 | | |
| 17 | G | 54.6 | Low | 50.2 | Low | 40 Ų | 40 | 135.8 Ų | 135.8 | 41% | 0.412 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.6 | -26 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K15 L19 L20 | K15-G17 PolarHBondContact O-N 3.32Å; G17-L19 PolarHBondContact O-N 3.46Å; G17-L20 PolarHBondContact O-N 3.09Å; G17-L20 VanDerWaalsContact O-N 3.12Å |
| 18 | D | 56.6 | Low | 50.7 | Low | 103 Ų | 103 | 134.6 Ų | 134.6 | 55% | 0.551 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -19.1 | -173.6 | -99.6 | -0.6 | 0 | 0 | 0 | 113.6 | N14 K15 | N14-D18 HydrophobicContact CB-CB 4.38Å; K15-D18 PolarHBondContact O-N 3.03Å |
| 19 | L | 55.3 | Low | 51.4 | Low | 112 Ų | 112 | 137 Ų | 137 | 59% | 0.586 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -9.5 | 177 | -70.2 | 170.2 | 0 | 0 | 0 | 113.2 | G17 | G17-L19 PolarHBondContact O-N 3.46Š|
| 20 | L | 54.1 | Low | 51.3 | Low | 94 Ų | 94 | 137.7 Ų | 137.7 | 49% | 0.492 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -29 | -179.5 | -66.9 | 175.5 | 0 | 0 | 0 | 111.9 | G17 D22 F23 Y24 | G17-L20 PolarHBondContact O-N 3.09Å; G17-L20 VanDerWaalsContact O-N 3.12Å; L20-D22 VanDerWaalsContact C-N 3.3Å; L20-D22 PolarHBondContact O-N 3.15Å; L20-F23 PolarHBondContact O-N 3.22Å; L20-F23 VanDerWaalsContact O-N 3.12Å; L20-Y24 HydrophobicContact CB-CE2 4.42Å; L20-Y24 WeakPolarHBondContact O-CD2 3.3Å; L20-Y24 PolarHBondContact O-N 2.91Å |
| 21 | D | 55.3 | Low | 51.5 | Low | 112 Ų | 112 | 137.8 Ų | 137.8 | 60% | 0.599 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.8 | -31.7 | 178.9 | -74.6 | -14.8 | 0 | 0 | 0 | 112.5 | F23 S25 | D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 3.24Å; D21-S25 PolarHBondContact O-N 3.13Å; D21-S25 PolarHBondContact O-OG 3.21Å |
| 22 | D | 60 | Low | 52.3 | Low | 118 Ų | 118 | 131.1 Ų | 131.1 | 63% | 0.631 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.4 | -24.4 | 173.7 | -75.5 | -11.7 | 0 | 0 | 0 | 112.9 | L20 S25 | L20-D22 VanDerWaalsContact C-N 3.3Å; L20-D22 PolarHBondContact O-N 3.15Å; D22-S25 WeakPolarHBondContact CA-OG 3.46Å; D22-S25 PolarHBondContact O-OG 3.28Å |
| 23 | F | 53.2 | Low | 52.6 | Low | 167 Ų | 167 | 133.9 Ų | 133.9 | 73% | 0.732 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -79.4 | -30.9 | 177.5 | -104.1 | -84.8 | 0 | 0 | 0 | 112.8 | L20 D21 S25 | L20-F23 PolarHBondContact O-N 3.22Å; L20-F23 VanDerWaalsContact O-N 3.12Å; D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 3.24Å; F23-S25 VanDerWaalsContact C-N 3.32Å |
| 24 | Y | 51 | Low | 52.9 | Low | 198 Ų | 198 | 129 Ų | 129 | 78% | 0.776 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.8 | -14.6 | 177.2 | -70.2 | -69.8 | 0 | 0 | 0 | 113.7 | L20 | L20-Y24 HydrophobicContact CB-CE2 4.42Å; L20-Y24 WeakPolarHBondContact O-CD2 3.3Å; L20-Y24 PolarHBondContact O-N 2.91Å |
| 25 | S | 49.7 | Very low | 52.9 | Low | 83 Ų | 83 | 129.5 Ų | 129.5 | 58% | 0.58 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -0.7 | 175.8 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | D21 D22 F23 | D21-S25 PolarHBondContact O-N 3.13Å; D21-S25 PolarHBondContact O-OG 3.21Å; D22-S25 WeakPolarHBondContact CA-OG 3.46Å; D22-S25 PolarHBondContact O-OG 3.28Å; F23-S25 VanDerWaalsContact C-N 3.32Å |
| 26 | A | 51 | Low | 53.1 | Low | 60 Ų | 60 | 130.5 Ų | 130.5 | 50% | 0.496 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -60.7 | 122.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q28 | A26-Q28 PolarHBondContact O-N 3.26Å; A26-Q28 VanDerWaalsContact O-N 3.09Å |
| 27 | P | 48.1 | Very low | 53.3 | Low | 111 Ų | 111 | 131.2 Ų | 131.2 | 72% | 0.721 | 66% | 0.66 | S | S | * | * | | | trans | -57.3 | 123.5 | -179.1 | 21 | -30.2 | 0 | 0 | 0 | 108.1 | L29 | P27-L29 VanDerWaalsContact C-N 3.27Å; P27-L29 PolarHBondContact O-N 3.07Å |
| 28 | Q | 51.4 | Low | 53.4 | Low | 164 Ų | 164 | 133.2 Ų | 133.2 | 77% | 0.766 | 67% | 0.668 | S | S | * | * | | | trans | -53.5 | 100.6 | 166.5 | -83.3 | 169.8 | -20.4 | 0 | 0 | 106.6 | A26 Y30 | A26-Q28 PolarHBondContact O-N 3.26Å; A26-Q28 VanDerWaalsContact O-N 3.09Å; Q28-Y30 VanDerWaalsContact C-N 3.26Å; Q28-Y30 WeakPolarHBondContact O-CD2 3.47Å; Q28-Y30 PolarHBondContact O-N 3.13Å |
| 29 | L | 56.2 | Low | 53.1 | Low | 137 Ų | 137 | 137.1 Ų | 137.1 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | | | trans | -59 | 102.5 | 166.1 | -70.1 | 171.6 | 0 | 0 | 0 | 104.6 | P27 Y31 | P27-L29 VanDerWaalsContact C-N 3.27Å; P27-L29 PolarHBondContact O-N 3.07Å; L29-Y31 WeakPolarHBondContact O-CD2 3.37Å; L29-Y31 PolarHBondContact O-N 3.1Å |
| 30 | Y | 50.3 | Low | 52.9 | Low | 214 Ų | 214 | 138.4 Ų | 138.4 | 84% | 0.839 | 69% | 0.689 | S | S | * | * | | | trans | -56.7 | 94.1 | 167.4 | -80.5 | -92.6 | 0 | 0 | 0 | 105.9 | Q28 D32 | Q28-Y30 VanDerWaalsContact C-N 3.26Å; Q28-Y30 WeakPolarHBondContact O-CD2 3.47Å; Q28-Y30 PolarHBondContact O-N 3.13Å; Y30-D32 PolarHBondContact O-N 3.29Å |
| 31 | Y | 46.8 | Very low | 52.4 | Low | 182 Ų | 182 | 136.4 Ų | 136.4 | 71% | 0.714 | 69% | 0.691 | S | S | * | * | | | trans | -61.6 | 108.5 | 166 | -84.5 | -87.3 | 0 | 0 | 0 | 105.7 | L29 H33 | L29-Y31 WeakPolarHBondContact O-CD2 3.37Å; L29-Y31 PolarHBondContact O-N 3.1Å; Y31-H33 VanDerWaalsContact C-N 3.27Å; Y31-H33 PolarHBondContact O-CD2 3.44Å; Y31-H33 PolarHBondContact O-N 2.96Å |
| 32 | D | 58.4 | Low | 52 | Low | 106 Ų | 106 | 136 Ų | 136 | 57% | 0.567 | 70% | 0.704 | S | S | * | * | | | trans | -66.4 | 91.2 | 175.6 | -163.1 | 0 | 0 | 0 | 0 | 107.8 | Y30 N34 | Y30-D32 PolarHBondContact O-N 3.29Å; D32-N34 PolarHBondContact O-N 3.18Å; D32-N34 VanDerWaalsContact OD1-CB 3.28Å; D32-N34 WeakPolarHBondContact OD1-CB 3.19Å; D32-N34 PolarHBondContact OD1-N 2.97Å; D32-N34 PolarHBondContact OD1-ND2 3.31Å |
| 33 | H | 54.5 | Low | 51.2 | Low | 172 Ų | 172 | 136.9 Ų | 136.9 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 4.5 | 176.2 | -71.4 | -65.1 | 0 | 0 | 0 | 112.6 | Y31 V35 | Y31-H33 VanDerWaalsContact C-N 3.27Å; Y31-H33 PolarHBondContact O-CD2 3.44Å; Y31-H33 PolarHBondContact O-N 2.96Å; H33-V35 VanDerWaalsContact C-N 3.3Å; H33-V35 PolarHBondContact O-N 3.28Å |
| 34 | N | 52.8 | Low | 50.4 | Low | 134 Ų | 134 | 138 Ų | 138 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 7.7 | 176.8 | -60.6 | -50.5 | 0 | 0 | 0 | 114.5 | D32 R36 | D32-N34 PolarHBondContact O-N 3.18Å; D32-N34 VanDerWaalsContact OD1-CB 3.28Å; D32-N34 WeakPolarHBondContact OD1-CB 3.19Å; D32-N34 PolarHBondContact OD1-N 2.97Å; D32-N34 PolarHBondContact OD1-ND2 3.31Å; N34-R36 PolarHBondContact O-N 3.33Å |
| 35 | V | 49.8 | Very low | 50 | Low | 117 Ų | 117 | 134.5 Ų | 134.5 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | | | trans | -68.1 | 80.2 | 160 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | H33 L37 | H33-V35 VanDerWaalsContact C-N 3.3Å; H33-V35 PolarHBondContact O-N 3.28Å; V35-L37 PolarHBondContact O-N 3.18Å |
| 36 | R | 52.6 | Low | 49.3 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | | | trans | -60.4 | 117.9 | 177.7 | -141.9 | 178.4 | 172.5 | 150.6 | -3.2 | 106.3 | N34 S38 E39 | N34-R36 PolarHBondContact O-N 3.33Å; R36-S38 WeakPolarHBondContact CD-OG 3.33Å; R36-S38 VanDerWaalsContact CG-OG 3.3Å; R36-S38 WeakPolarHBondContact CG-OG 3.48Å; R36-S38 PolarHBondContact O-N 3.13Å; R36-E39 PolarHBondContact O-N 3.06Å |
| 37 | L | 57.2 | Low | 48.6 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -56.1 | -3.6 | 173.7 | -68 | 168.7 | 0 | 0 | 0 | 113.5 | V35 E39 L40 | V35-L37 PolarHBondContact O-N 3.18Å; L37-E39 PolarHBondContact O-N 3.13Å; L37-L40 HydrophobicContact CD2-CD1 3.74Å; L37-L40 WeakPolarHBondContact O-CB 3.46Å; L37-L40 PolarHBondContact O-N 2.91Å; L37-L40 VanDerWaalsContact O-N 3.12Å |
| 38 | S | 56.4 | Low | 47.8 | Very low | 83 Ų | 83 | 144.7 Ų | 144.7 | 58% | 0.58 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -57.2 | -27.4 | 170.7 | -46.6 | 0 | 0 | 0 | 0 | 114.4 | R36 L40 | R36-S38 WeakPolarHBondContact CD-OG 3.33Å; R36-S38 VanDerWaalsContact CG-OG 3.3Å; R36-S38 WeakPolarHBondContact CG-OG 3.48Å; R36-S38 PolarHBondContact O-N 3.13Å; S38-L40 VanDerWaalsContact C-N 3.3Å |
| 39 | E | 51.2 | Low | 46.8 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -81.1 | -13.3 | 177.5 | -66.4 | -169.3 | 179 | 0 | 0 | 112.8 | R36 L37 G41 | R36-E39 PolarHBondContact O-N 3.06Å; L37-E39 PolarHBondContact O-N 3.13Å; E39-G41 VanDerWaalsContact C-N 3.33Å; E39-G41 PolarHBondContact O-N 2.85Å; E39-G41 VanDerWaalsContact O-N 3.08Å |
| 40 | L | 50.6 | Low | 45.5 | Very low | 139 Ų | 139 | 147 Ų | 147 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -84.1 | 78.3 | 170.9 | -86.8 | 143.2 | 0 | 0 | 0 | 109.9 | L37 S38 | L37-L40 HydrophobicContact CD2-CD1 3.74Å; L37-L40 WeakPolarHBondContact O-CB 3.46Å; L37-L40 PolarHBondContact O-N 2.91Å; L37-L40 VanDerWaalsContact O-N 3.12Å; S38-L40 VanDerWaalsContact C-N 3.3Å |
| 41 | G | 44.2 | Very low | 44.5 | Very low | 52 Ų | 52 | 147.9 Ų | 147.9 | 54% | 0.536 | 75% | 0.749 | S | S | . | * | | | trans | 77.7 | 67.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | E39 D43 | E39-G41 VanDerWaalsContact C-N 3.33Å; E39-G41 PolarHBondContact O-N 2.85Å; E39-G41 VanDerWaalsContact O-N 3.08Å; G41-D43 PolarHBondContact O-N 3.09Å; G41-D43 VanDerWaalsContact O-N 3.09Å |
| 42 | A | 45.8 | Very low | 44.4 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | trans | -78.3 | 73.1 | 148 | 0 | 0 | 0 | 0 | 0 | 108.8 | K44 | A42-K44 PolarHBondContact O-N 3.28Š|
| 43 | D | 44.3 | Very low | 43 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -62.7 | 114.8 | 171.3 | -84.1 | -47.9 | 0 | 0 | 0 | 110.7 | G41 | G41-D43 PolarHBondContact O-N 3.09Å; G41-D43 VanDerWaalsContact O-N 3.09Å |
| 44 | K | 37.1 | Very low | 41.9 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | | | trans | 35.1 | 108.1 | 140.7 | -67.4 | 172.2 | 178.8 | 171 | 0 | 117.6 | A42 | A42-K44 PolarHBondContact O-N 3.28Š|
| 45 | S | 41.3 | Very low | 40.8 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | | | trans | -113.9 | 79 | 140.9 | 66.3 | 0 | 0 | 0 | 0 | 110 | N47 | S45-N47 PolarHBondContact O-N 3.08Š|
| 46 | H | 34.8 | Very low | 39.9 | Very low | 186 Ų | 186 | 141 Ų | 141 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | -84.1 | 87 | 162.2 | -154.2 | 77.5 | 0 | 0 | 0 | 107.1 | | |
| 47 | N | 36.1 | Very low | 38.7 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | trans | -147.8 | 105.2 | 167.1 | -114.1 | -34.7 | 0 | 0 | 0 | 111.4 | S45 | S45-N47 PolarHBondContact O-N 3.08Š|
| 48 | Q | 31.2 | Very low | 37.5 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | | | trans | 75.7 | 107.7 | 140.2 | -68.4 | -167.8 | 37.8 | 0 | 0 | 121.7 | | |
| 49 | Q | 31.7 | Very low | 36.5 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | | | | 73.6 | 101.4 | 117.3 | -67.4 | -178.6 | -4.4 | 0 | 0 | 119.2 | | |
| 50 | Q | 29.2 | Very low | 35.6 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | trans | -5.6 | 124 | 133.9 | -66.6 | 177.8 | -15.1 | 0 | 0 | 118 | | |
| 51 | R | 29.5 | Very low | 35.4 | Very low | 231 Ų | 231 | 135.9 Ų | 135.9 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | | 136.1 | 152.1 | 128.3 | -80.9 | -170.8 | 170.5 | -171.4 | -2.4 | 113.7 | | |
| 52 | P | 43.1 | Very low | 35.1 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | cis | -133.8 | 176.2 | -46.3 | 36.3 | -18.1 | 0 | 0 | 0 | 112.5 | | |
| 53 | A | 29.6 | Very low | 34.5 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -64.8 | 135.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 54 | G | 30.8 | Very low | 34.9 | Very low | 63 Ų | 63 | 147.7 Ų | 147.7 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | | | trans | 163.3 | 114.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 55 | T | 30.1 | Very low | 34.6 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | | | trans | 75.7 | 135 | 151 | 14.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 56 | V | 30.7 | Very low | 33.9 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | cis | -154.3 | 144.8 | 15.9 | -167.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 57 | A | 28.3 | Very low | 34.1 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | trans | -82.7 | 138.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 58 | A | 32 | Very low | 34 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | trans | -164.7 | 117.5 | 157 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 59 | K | 34.6 | Very low | 34.6 | Very low | 203 Ų | 203 | 142 Ų | 142 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | 75.5 | 103 | 135.2 | -63 | 179.4 | 179.5 | -179.4 | 0 | 121.7 | | |
| 60 | T | 32.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | trans | -55.8 | -176.8 | 134.6 | 24.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 61 | P | 46.6 | Very low | 34.8 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | | | cis | -133.5 | 179 | -23.5 | 32.5 | -13.1 | 0 | 0 | 0 | 112.4 | | |
| 62 | L | 38.1 | Very low | 35.2 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | | | trans | -163 | 130.4 | 134.3 | -146.5 | 67.9 | 0 | 0 | 0 | 113.3 | | |
| 63 | V | 33 | Very low | 35.1 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 66% | 0.661 | 81% | 0.805 | S | S | * | * | | | trans | -87.1 | 149.1 | -179.2 | 171.1 | 0 | 0 | 0 | 0 | 111 | | |
| 64 | R | 51.2 | Low | 35.2 | Very low | 252 Ų | 252 | 133.3 Ų | 133.3 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | | | trans | -145 | 127.3 | 153.1 | -163.5 | 171.4 | -178.2 | 164.3 | 0.2 | 110.7 | | |
| 65 | N | 31.6 | Very low | 35.5 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | -96.7 | 152.8 | -169.9 | -72.2 | -40.4 | 0 | 0 | 0 | 114.2 | | |
| 66 | G | 27 | Very low | 36 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | 107.6 | 157.3 | 145 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 67 | P | 39.7 | Very low | 36.7 | Very low | 134 Ų | 134 | 134 Ų | 134 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | | | cis | -125.8 | 172.8 | -7.4 | 38.1 | -20.2 | 0 | 0 | 0 | 115.6 | | |
| 68 | K | 32.4 | Very low | 37.8 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 60% | 0.604 | 79% | 0.794 | S | S | * | * | | | trans | -82.9 | 148.4 | 178.7 | -67.4 | -179.4 | 169.9 | -168.4 | 0 | 112.4 | T321 | K68-T321 VanDerWaalsContact CE-OG1 3.26Å; K68-T321 WeakPolarHBondContact CE-OG1 3.37Å; K68-T321 PolarHBondContact NZ-OG1 3.04Å; K68-T321 VanDerWaalsContact NZ-OG1 3.16Å |
| 69 | D | 44.3 | Very low | 38.8 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -149.3 | 140.3 | 149.7 | -91 | -40.5 | 0 | 0 | 0 | 109.3 | | |
| 70 | D | 34.4 | Very low | 39.4 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | -75.4 | 158.2 | -160.9 | -77.1 | -62.2 | 0 | 0 | 0 | 117 | | |
| 71 | S | 30.9 | Very low | 40.1 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -94.5 | 155.1 | 168.7 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 72 | P | 38.4 | Very low | 40.5 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | | -139 | 156.1 | 125.4 | 33.5 | -19.1 | 0 | 0 | 0 | 114.8 | | |
| 73 | N | 40.2 | Very low | 41.2 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | 86.2 | 68.3 | 165.2 | -60.9 | -13.4 | 0 | 0 | 0 | 119.3 | | |
| 74 | G | 33.1 | Very low | 41.9 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | | 70.6 | 58 | 88.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 75 | V | 36.9 | Very low | 41.9 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | -127.3 | 102.4 | 150.8 | -174.2 | 0 | 0 | 0 | 0 | 107.1 | P77 | V75-P77 WeakPolarHBondContact O-CD 3.48Š|
| 76 | S | 39.7 | Very low | 43.1 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | trans | -64.5 | 112.1 | 179.4 | -47.7 | 0 | 0 | 0 | 0 | 109.6 | I78 | S76-I78 PolarHBondContact O-N 3.27Š|
| 77 | P | 45.2 | Very low | 44.7 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | trans | -67.7 | 131.6 | 175 | 26.5 | -30.4 | 0 | 0 | 0 | 109 | V75 S79 | V75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-S79 PolarHBondContact O-N 2.87Å |
| 78 | I | 51 | Low | 45.4 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 68% | 0.677 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 10.7 | 178.9 | -67.4 | 157.9 | 0 | 0 | 0 | 113.7 | S76 E80 | S76-I78 PolarHBondContact O-N 3.27Å; I78-E80 VanDerWaalsContact C-N 3.28Å; I78-E80 PolarHBondContact O-N 2.92Å |
| 79 | S | 53.6 | Low | 46.7 | Very low | 66 Ų | 66 | 127 Ų | 127 | 46% | 0.462 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -15.1 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 114.5 | P77 | P77-S79 PolarHBondContact O-N 2.87Š|
| 80 | E | 48.2 | Very low | 47.5 | Very low | 162 Ų | 162 | 123.3 Ų | 123.3 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -28.3 | 176.7 | -78.6 | -173 | 162.5 | 0 | 0 | 113.5 | I78 Q82 K83 | I78-E80 VanDerWaalsContact C-N 3.28Å; I78-E80 PolarHBondContact O-N 2.92Å; E80-Q82 PolarHBondContact O-N 2.83Å; E80-K83 PolarHBondContact O-N 2.77Å |
| 81 | M | 46.7 | Very low | 48.7 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -23.2 | 177.3 | -66.5 | -173.8 | -176.1 | 0 | 0 | 112.7 | | |
| 82 | Q | 55.4 | Low | 50 | Low | 160 Ų | 160 | 122.7 Ų | 122.7 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -13 | 179.5 | -76.7 | -174.3 | -19.2 | 0 | 0 | 114.7 | E80 | E80-Q82 PolarHBondContact O-N 2.83Š|
| 83 | K | 52 | Low | 50.9 | Low | 163 Ų | 163 | 122.9 Ų | 122.9 | 71% | 0.709 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -15.3 | -178.4 | -76.7 | -176.7 | 178.4 | 175.1 | 0 | 114.6 | E80 | E80-K83 PolarHBondContact O-N 2.77Š|
| 84 | N | 48 | Very low | 51.7 | Low | 145 Ų | 145 | 119.3 Ų | 119.3 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -91.8 | -0.1 | 176 | -68.6 | -17.9 | 0 | 0 | 0 | 113.6 | A86 | N84-A86 VanDerWaalsContact C-N 3.34Å; N84-A86 PolarHBondContact O-N 2.87Å |
| 85 | M | 52.2 | Low | 52.9 | Low | 159 Ų | 159 | 118.7 Ų | 118.7 | 78% | 0.783 | 66% | 0.656 | S | S | * | * | | | trans | -94.7 | 69 | 165.7 | -61.4 | -65.1 | -120.1 | 0 | 0 | 108.3 | | |
| 86 | A | 56.1 | Low | 53.8 | Low | 80 Ų | 80 | 116.8 Ų | 116.8 | 66% | 0.661 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 130.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | N84 L88 | N84-A86 VanDerWaalsContact C-N 3.34Å; N84-A86 PolarHBondContact O-N 2.87Å; A86-L88 PolarHBondContact O-N 2.72Å; A86-L88 VanDerWaalsContact O-N 3.13Å |
| 87 | P | 60.6 | Low | 54.7 | Low | 122 Ų | 122 | 120.4 Ų | 120.4 | 79% | 0.792 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 127.2 | -177.9 | 22.1 | -32.1 | 0 | 0 | 0 | 108.1 | S89 | P87-S89 PolarHBondContact O-N 3.18Š|
| 88 | L | 53.2 | Low | 55.1 | Low | 117 Ų | 117 | 122.2 Ų | 122.2 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 118.3 | 174.1 | -67.1 | 164.3 | 0 | 0 | 0 | 106.9 | A86 M92 | A86-L88 PolarHBondContact O-N 2.72Å; A86-L88 VanDerWaalsContact O-N 3.13Å; L88-M92 HydrophobicContact CB-CE 3.85Å; L88-M92 HydrophobicContact CD2-CE 3.16Å; L88-M92 HydrophobicContact CD2-SD 3.97Å; L88-M92 HydrophobicContact CG-CE 4.08Å |
| 89 | S | 59.8 | Low | 55.2 | Low | 60 Ų | 60 | 121.3 Ų | 121.3 | 42% | 0.42 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -50.6 | 139 | 176.3 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | P87 E91 M92 | P87-S89 PolarHBondContact O-N 3.18Å; S89-E91 PolarHBondContact O-N 3.19Å; S89-M92 PolarHBondContact O-N 3.08Å |
| 90 | P | 62 | Low | 55.2 | Low | 90 Ų | 90 | 124.7 Ų | 124.7 | 58% | 0.584 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -47.8 | -26.2 | 179.2 | -29.4 | 34.9 | 0 | 0 | 0 | 114.6 | M92 M93 N94 | P90-M92 VanDerWaalsContact C-N 3.33Å; P90-M92 PolarHBondContact O-N 3.31Å; P90-M93 PolarHBondContact O-N 3.44Å; P90-M93 VanDerWaalsContact O-N 3.12Å; P90-N94 PolarHBondContact O-N 2.95Å; P90-N94 VanDerWaalsContact O-N 3.08Å |
| 91 | E | 59.7 | Low | 55.6 | Low | 155 Ų | 155 | 122 Ų | 122 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -55.1 | -41 | 172.3 | -109.9 | 173.4 | 159 | 0 | 0 | 113.8 | S89 M93 N94 S95 | S89-E91 PolarHBondContact O-N 3.19Å; E91-M93 VanDerWaalsContact C-N 3.32Å; E91-M93 PolarHBondContact O-N 2.88Å; E91-N94 PolarHBondContact O-N 2.74Å; E91-S95 PolarHBondContact O-N 2.93Å |
| 92 | M | 58.7 | Low | 55.6 | Low | 104 Ų | 104 | 121.1 Ų | 121.1 | 51% | 0.512 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.1 | -25 | 177.3 | -73.2 | -168.1 | -73.9 | 0 | 0 | 112.8 | L88 S89 P90 | L88-M92 HydrophobicContact CB-CE 3.85Å; L88-M92 HydrophobicContact CD2-CE 3.16Å; L88-M92 HydrophobicContact CD2-SD 3.97Å; L88-M92 HydrophobicContact CG-CE 4.08Å; S89-M92 PolarHBondContact O-N 3.08Å; P90-M92 VanDerWaalsContact C-N 3.33Å; P90-M92 PolarHBondContact O-N 3.31Å |
| 93 | M | 56.1 | Low | 55.2 | Low | 119 Ų | 119 | 121.2 Ų | 121.2 | 59% | 0.586 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.5 | -28.8 | 174.9 | -65 | -145.6 | -58.1 | 0 | 0 | 112.4 | P90 E91 | P90-M93 PolarHBondContact O-N 3.44Å; P90-M93 VanDerWaalsContact O-N 3.12Å; E91-M93 VanDerWaalsContact C-N 3.32Å; E91-M93 PolarHBondContact O-N 2.88Å |
| 94 | N | 57.5 | Low | 54.7 | Low | 87 Ų | 87 | 121.7 Ų | 121.7 | 47% | 0.465 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -73.4 | -35.2 | 174.4 | -68.9 | -16.2 | 0 | 0 | 0 | 111.9 | P90 E91 L96 R97 E98 | P90-N94 PolarHBondContact O-N 2.95Å; P90-N94 VanDerWaalsContact O-N 3.08Å; E91-N94 PolarHBondContact O-N 2.74Å; N94-L96 PolarHBondContact O-N 3.03Å; N94-R97 PolarHBondContact O-N 3.23Å; N94-R97 VanDerWaalsContact O-N 3.09Å; N94-E98 PolarHBondContact O-N 3.37Å; N94-E98 VanDerWaalsContact O-N 3.15Å |
| 95 | S | 57.7 | Low | 54.5 | Low | 66 Ų | 66 | 122.2 Ų | 122.2 | 46% | 0.462 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59 | -31 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 113.2 | E91 M99 | E91-S95 PolarHBondContact O-N 2.93Å; S95-M99 PolarHBondContact O-N 3.04Å |
| 96 | L | 57 | Low | 53.9 | Low | 95 Ų | 95 | 123.4 Ų | 123.4 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72 | -42 | 174 | -73.6 | 169.4 | 0 | 0 | 0 | 112.4 | N94 E98 M99 F100 | N94-L96 PolarHBondContact O-N 3.03Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.1Å; L96-M99 HydrophobicContact CD2-CE 3.73Å; L96-M99 PolarHBondContact O-N 3.2Å; L96-F100 WeakPolarHBondContact O-CD2 3.37Å; L96-F100 PolarHBondContact O-N 3.12Å |
| 97 | R | 57.1 | Low | 52.8 | Low | 187 Ų | 187 | 128 Ų | 128 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.9 | -32.8 | 179.8 | -85.1 | -177.6 | 177.9 | 172.4 | -1.3 | 112.6 | N94 V101 | N94-R97 PolarHBondContact O-N 3.23Å; N94-R97 VanDerWaalsContact O-N 3.09Å; R97-V101 WeakPolarHBondContact O-CG2 3.3Å |
| 98 | E | 53.6 | Low | 51.4 | Low | 144 Ų | 144 | 130.4 Ų | 130.4 | 67% | 0.673 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.3 | -34.4 | 177.7 | -70.4 | 178.8 | -179.6 | 0 | 0 | 112.4 | N94 L96 F100 V101 | N94-E98 PolarHBondContact O-N 3.37Å; N94-E98 VanDerWaalsContact O-N 3.15Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.1Å; E98-F100 VanDerWaalsContact C-N 3.33Å; E98-F100 PolarHBondContact O-N 3.41Å; E98-V101 PolarHBondContact O-N 3.26Å |
| 99 | M | 54.2 | Low | 50.8 | Low | 113 Ų | 113 | 129.5 Ų | 129.5 | 56% | 0.557 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65 | -33.9 | 174.5 | -74 | -170.9 | -65.3 | 0 | 0 | 113.2 | S95 L96 V101 | S95-M99 PolarHBondContact O-N 3.04Å; L96-M99 HydrophobicContact CD2-CE 3.73Å; L96-M99 PolarHBondContact O-N 3.2Å; M99-V101 VanDerWaalsContact C-N 3.33Å; M99-V101 PolarHBondContact O-N 3.17Å |
| 100 | F | 53.8 | Low | 50.3 | Low | 136 Ų | 136 | 132 Ų | 132 | 60% | 0.596 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.3 | -14.9 | 179.6 | -69.4 | -66.5 | 0 | 0 | 0 | 114 | L96 E98 | L96-F100 WeakPolarHBondContact O-CD2 3.37Å; L96-F100 PolarHBondContact O-N 3.12Å; E98-F100 VanDerWaalsContact C-N 3.33Å; E98-F100 PolarHBondContact O-N 3.41Å |
| 101 | V | 55.5 | Low | 49.5 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 65% | 0.648 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -83.1 | -22.2 | 178 | 175 | 0 | 0 | 0 | 0 | 111.8 | R97 E98 M99 | R97-V101 WeakPolarHBondContact O-CG2 3.3Å; E98-V101 PolarHBondContact O-N 3.26Å; M99-V101 VanDerWaalsContact C-N 3.33Å; M99-V101 PolarHBondContact O-N 3.17Å |
| 102 | E | 47.3 | Very low | 49.1 | Very low | 134 Ų | 134 | 132 Ų | 132 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -85.8 | -17.9 | 178.8 | -72.2 | -171.7 | 167.7 | 0 | 0 | 113.9 | Y341 | E102-Y341 PolarHBondContact OE1-OH 3.02Å |
| 103 | E | 46.2 | Very low | 48.6 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -93.8 | -17.5 | -176.7 | -158.7 | 172 | -175.7 | 0 | 0 | 114.4 | L105 | E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 2.82Å |
| 104 | E | 42.5 | Very low | 48.4 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 81% | 0.808 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -84.9 | 1.7 | 179.3 | -86.5 | -172.5 | 156.2 | 0 | 0 | 114.7 | E106 | E104-E106 VanDerWaalsContact C-N 3.31Å; E104-E106 PolarHBondContact O-N 3.42Å |
| 105 | L | 43 | Very low | 48.2 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 82% | 0.817 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -83.8 | 4.6 | -178.3 | -109 | 158 | 0 | 0 | 0 | 115.1 | E103 | E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 2.82Å |
| 106 | E | 40.1 | Very low | 48.1 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 86% | 0.86 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -121.8 | 17.2 | -177.2 | -134.7 | 175.4 | -163 | 0 | 0 | 116.3 | E104 | E104-E106 VanDerWaalsContact C-N 3.31Å; E104-E106 PolarHBondContact O-N 3.42Å |
| 107 | Q | 34 | Very low | 48.1 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | | | trans | -132.5 | 81.7 | 167.4 | -70.2 | -177.1 | 30.6 | 0 | 0 | 111.5 | P109 | Q107-P109 WeakPolarHBondContact O-CD 3.4Š|
| 108 | Q | 31.3 | Very low | 48 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | | | trans | -87.1 | 98.8 | 152.6 | -83.7 | -129.5 | 4.7 | 0 | 0 | 109.7 | | |
| 109 | P | 40.4 | Very low | 48.2 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | | | trans | -89.2 | 115.3 | 149.6 | 31.5 | -26.4 | 0 | 0 | 0 | 108.1 | Q107 E111 | Q107-P109 WeakPolarHBondContact O-CD 3.4Å; P109-E111 PolarHBondContact O-N 2.86Å |
| 110 | E | 48.5 | Very low | 48.6 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 53% | 0.528 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63 | 11.8 | -180 | -91 | -162.3 | 152.4 | 0 | 0 | 116.1 | Q351 | E110-Q351 VanDerWaalsContact CG-NE2 3.34Å; E110-Q351 PolarHBondContact OE2-NE2 3.02Å; E110-Q351 PolarHBondContact OE2-OE1 3.27Å |
| 111 | E | 44.7 | Very low | 49.2 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 76% | 0.757 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -9.1 | -173 | -67.3 | -168.6 | 159.2 | 0 | 0 | 115.1 | P109 K113 | P109-E111 PolarHBondContact O-N 2.86Å; E111-K113 VanDerWaalsContact C-N 3.33Å; E111-K113 PolarHBondContact O-N 3.04Å |
| 112 | A | 51.2 | Low | 49.7 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.9 | -22.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A116 | A112-A116 PolarHBondContact O-N 3.18Å |
| 113 | K | 49.2 | Very low | 50.6 | Low | 176 Ų | 176 | 124.9 Ų | 124.9 | 77% | 0.765 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.6 | -32.7 | -177.8 | -88.6 | -179.9 | 179.9 | 170.1 | 0 | 113.5 | E111 A117 | E111-K113 VanDerWaalsContact C-N 3.33Å; E111-K113 PolarHBondContact O-N 3.04Å; K113-A117 PolarHBondContact O-N 3.2Å |
| 114 | V | 51.1 | Low | 51.6 | Low | 93 Ų | 93 | 120.7 Ų | 120.7 | 56% | 0.564 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.1 | -42.2 | -177.9 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | A116 A117 E118 | V114-A116 PolarHBondContact O-N 3.39Å; V114-A117 PolarHBondContact O-N 2.94Å; V114-E118 PolarHBondContact O-N 2.93Å |
| 115 | V | 54.1 | Low | 52.8 | Low | 96 Ų | 96 | 116.3 Ų | 116.3 | 58% | 0.582 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.6 | -39.7 | 178.5 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | A117 V119 | V115-A117 VanDerWaalsContact C-N 3.35Å; V115-A117 PolarHBondContact O-N 3.17Å; V115-V119 VanDerWaalsContact O-CG2 3.29Å; V115-V119 WeakPolarHBondContact O-CG2 3.29Å; V115-V119 PolarHBondContact O-N 2.98Å |
| 116 | A | 55.8 | Low | 54.1 | Low | 64 Ų | 64 | 118.2 Ų | 118.2 | 53% | 0.529 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.6 | -33.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A112 V114 K120 | A112-A116 PolarHBondContact O-N 3.18Å; V114-A116 PolarHBondContact O-N 3.39Å; A116-K120 WeakPolarHBondContact O-CB 3.42Å; A116-K120 PolarHBondContact O-N 2.88Å |
| 117 | A | 56.3 | Low | 55.4 | Low | 58 Ų | 58 | 112.7 Ų | 112.7 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.3 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K113 V114 V115 K120 T121 | K113-A117 PolarHBondContact O-N 3.2Å; V114-A117 PolarHBondContact O-N 2.94Å; V115-A117 VanDerWaalsContact C-N 3.35Å; V115-A117 PolarHBondContact O-N 3.17Å; A117-K120 PolarHBondContact O-N 2.9Å; A117-T121 PolarHBondContact O-N 2.65Å; A117-T121 VanDerWaalsContact O-N 3.08Å; A117-T121 PolarHBondContact O-OG1 3Å |
| 118 | E | 55 | Low | 56.8 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.6 | -40.4 | 179 | -73.3 | -170.2 | 166.7 | 0 | 0 | 112.9 | V114 K120 T121 I122 | V114-E118 PolarHBondContact O-N 2.93Å; E118-K120 VanDerWaalsContact C-N 3.26Å; E118-K120 PolarHBondContact O-N 2.8Å; E118-T121 WeakPolarHBondContact CA-OG1 3.29Å; E118-T121 PolarHBondContact O-N 3.38Å; E118-T121 PolarHBondContact O-OG1 3.17Å; E118-T121 VanDerWaalsContact O-OG1 3.12Å; E118-I122 VanDerWaalsContact O-CG1 3.29Å; E118-I122 WeakPolarHBondContact O-CG1 3.39Å; E118-I122 PolarHBondContact O-N 3.5Å |
| 119 | V | 58.7 | Low | 58.5 | Low | 95 Ų | 95 | 106.1 Ų | 106.1 | 58% | 0.576 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -36.3 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | V115 Y123 | V115-V119 VanDerWaalsContact O-CG2 3.29Å; V115-V119 WeakPolarHBondContact O-CG2 3.29Å; V115-V119 PolarHBondContact O-N 2.98Å; V119-Y123 PolarHBondContact O-N 3.34Å; V119-Y123 VanDerWaalsContact O-N 3.15Å |
| 120 | K | 61.9 | Low | 59.3 | Low | 130 Ų | 130 | 104.6 Ų | 104.6 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.7 | -41.7 | 177.5 | -165 | -178.3 | 176.9 | -167.5 | 0 | 112.3 | A116 A117 E118 Y123 E124 | A116-K120 WeakPolarHBondContact O-CB 3.42Å; A116-K120 PolarHBondContact O-N 2.88Å; A117-K120 PolarHBondContact O-N 2.9Å; E118-K120 VanDerWaalsContact C-N 3.26Å; E118-K120 PolarHBondContact O-N 2.8Å; K120-Y123 PolarHBondContact O-N 2.94Å; K120-E124 VanDerWaalsContact CE-OE1 3.3Å; K120-E124 WeakPolarHBondContact CE-OE1 3.12Å; K120-E124 WeakPolarHBondContact O-CG 3.48Å; K120-E124 PolarHBondContact O-N 3.04Å |
| 121 | T | 65.8 | Low | 59.8 | Low | 88 Ų | 88 | 105.3 Ų | 105.3 | 54% | 0.54 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.9 | -37.5 | 177.4 | 26.3 | 0 | 0 | 0 | 0 | 112.7 | A117 E118 Y123 E124 A125 | A117-T121 PolarHBondContact O-N 2.65Å; A117-T121 VanDerWaalsContact O-N 3.08Å; A117-T121 PolarHBondContact O-OG1 3Å; E118-T121 WeakPolarHBondContact CA-OG1 3.29Å; E118-T121 PolarHBondContact O-N 3.38Å; E118-T121 PolarHBondContact O-OG1 3.17Å; E118-T121 VanDerWaalsContact O-OG1 3.12Å; T121-Y123 VanDerWaalsContact C-N 3.32Å; T121-Y123 PolarHBondContact O-N 3.14Å; T121-E124 PolarHBondContact O-N 3.48Å; T121-A125 WeakPolarHBondContact O-CB 3.43Å; T121-A125 PolarHBondContact O-N 3.15Å |
| 122 | I | 66.5 | Low | 60.4 | Low | 96 Ų | 96 | 100.9 Ų | 100.9 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -37.7 | 176 | -64.4 | 165.4 | 0 | 0 | 0 | 110.9 | E118 R126 | E118-I122 VanDerWaalsContact O-CG1 3.29Å; E118-I122 WeakPolarHBondContact O-CG1 3.39Å; E118-I122 PolarHBondContact O-N 3.5Å; I122-R126 WeakPolarHBondContact O-CG 3.35Å; I122-R126 PolarHBondContact O-N 3.01Å |
| 123 | Y | 65.6 | Low | 60.6 | Low | 124 Ų | 124 | 104.1 Ų | 104.1 | 49% | 0.486 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.5 | -48.2 | 176.5 | -169.7 | -88.3 | 0 | 0 | 0 | 111.8 | V119 K120 T121 A125 R126 H127 E130 | V119-Y123 PolarHBondContact O-N 3.34Å; V119-Y123 VanDerWaalsContact O-N 3.15Å; K120-Y123 PolarHBondContact O-N 2.94Å; T121-Y123 VanDerWaalsContact C-N 3.32Å; T121-Y123 PolarHBondContact O-N 3.14Å; Y123-A125 VanDerWaalsContact C-N 3.3Å; Y123-A125 PolarHBondContact O-N 2.8Å; Y123-R126 PolarHBondContact O-N 2.96Å; Y123-R126 VanDerWaalsContact O-N 3.14Å; Y123-H127 HydrophobicContact CE1-CB 4.25Å; Y123-H127 AromaticContact CE2-CD2 3.94Å; Y123-H127 AromaticContact CZ-CD2 3.96Å; Y123-H127 PolarHBondContact O-CD2 3.01Å; Y123-H127 PolarHBondContact O-N 2.72Å; Y123-E130 PolarHBondContact OH-OE2 2.96Å |
| 124 | E | 68.5 | Low | 60.8 | Low | 73 Ų | 73 | 102.2 Ų | 102.2 | 34% | 0.341 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 179.2 | -73.3 | 180 | 175.1 | 0 | 0 | 112.5 | K120 T121 H127 Q131 | K120-E124 VanDerWaalsContact CE-OE1 3.3Å; K120-E124 WeakPolarHBondContact CE-OE1 3.12Å; K120-E124 WeakPolarHBondContact O-CG 3.48Å; K120-E124 PolarHBondContact O-N 3.04Å; T121-E124 PolarHBondContact O-N 3.48Å; E124-H127 CarbonylContact O-C 3.46Å; E124-H127 PolarHBondContact O-N 3.21Å; E124-Q131 PolarHBondContact OE1-NE2 3.18Å |
| 125 | A | 66.6 | Low | 60.9 | Low | 81 Ų | 81 | 103 Ų | 103 | 67% | 0.669 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.2 | -31.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T121 Y123 | T121-A125 WeakPolarHBondContact O-CB 3.43Å; T121-A125 PolarHBondContact O-N 3.15Å; Y123-A125 VanDerWaalsContact C-N 3.3Å; Y123-A125 PolarHBondContact O-N 2.8Å |
| 126 | R | 71.5 | Confident | 60.9 | Low | 196 Ų | 196 | 101.6 Ų | 101.6 | 74% | 0.74 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -80.5 | -24.8 | 176.1 | -73 | -176 | -178.2 | -162.2 | 3.3 | 112.8 | I122 Y123 P128 | I122-R126 WeakPolarHBondContact O-CG 3.35Å; I122-R126 PolarHBondContact O-N 3.01Å; Y123-R126 PolarHBondContact O-N 2.96Å; Y123-R126 VanDerWaalsContact O-N 3.14Å; R126-P128 VanDerWaalsContact C-CD 3.45Å |
| 127 | H | 67.6 | Low | 60.6 | Low | 69 Ų | 69 | 107.1 Ų | 107.1 | 32% | 0.319 | 57% | 0.565 | S | S | . | * | | | trans | -128.8 | 56.2 | -173 | -59.9 | -92.2 | 0 | 0 | 0 | 113.1 | Y123 E124 N129 E130 | Y123-H127 HydrophobicContact CE1-CB 4.25Å; Y123-H127 AromaticContact CE2-CD2 3.94Å; Y123-H127 AromaticContact CZ-CD2 3.96Å; Y123-H127 PolarHBondContact O-CD2 3.01Å; Y123-H127 PolarHBondContact O-N 2.72Å; E124-H127 CarbonylContact O-C 3.46Å; E124-H127 PolarHBondContact O-N 3.21Å; H127-N129 PolarHBondContact O-N 3.19Å; H127-E130 HydrophobicContact CB-CB 4.18Å; H127-E130 HydrophobicContact CB-CG 3.95Å; H127-E130 IonicContact CE1-OE1 3.59Å; H127-E130 IonicContact CG-OE1 3.93Å; H127-E130 IonicContact CG-OE2 2.82Å; H127-E130 IonicContact ND1-OE1 3.92Å; H127-E130 PolarHBondContact ND1-OE1 2.85Å; H127-E130 IonicContact ND1-OE2 3.62Å; H127-E130 PolarHBondContact O-N 3.45Å; H127-E130 VanDerWaalsContact O-N 3.17Å |
| 128 | P | 62.2 | Low | 60.4 | Low | 97 Ų | 97 | 110.2 Ų | 110.2 | 63% | 0.63 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -20.3 | -176 | 24.8 | -34.8 | 0 | 0 | 0 | 113.9 | R126 | R126-P128 VanDerWaalsContact C-CD 3.45Š|
| 129 | N | 66.9 | Low | 59.9 | Low | 115 Ų | 115 | 114.2 Ų | 114.2 | 62% | 0.615 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -6.5 | -178.1 | -74.5 | -31 | 0 | 0 | 0 | 114.8 | H127 Q133 | H127-N129 PolarHBondContact O-N 3.19Å; N129-Q133 WeakPolarHBondContact O-CG 3.5Å; N129-Q133 PolarHBondContact O-N 3.37Å |
| 130 | E | 57.6 | Low | 59.5 | Low | 65 Ų | 65 | 116.1 Ų | 116.1 | 30% | 0.304 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.2 | -43.1 | -177.4 | -79.7 | -176.5 | -169.6 | 0 | 0 | 112.1 | Y123 H127 A132 Q133 F134 | Y123-E130 PolarHBondContact OH-OE2 2.96Å; H127-E130 HydrophobicContact CB-CB 4.18Å; H127-E130 HydrophobicContact CB-CG 3.95Å; H127-E130 IonicContact CE1-OE1 3.59Å; H127-E130 IonicContact CG-OE1 3.93Å; H127-E130 IonicContact CG-OE2 2.82Å; H127-E130 IonicContact ND1-OE1 3.92Å; H127-E130 PolarHBondContact ND1-OE1 2.85Å; H127-E130 IonicContact ND1-OE2 3.62Å; H127-E130 PolarHBondContact O-N 3.45Å; H127-E130 VanDerWaalsContact O-N 3.17Å; E130-A132 PolarHBondContact O-N 3.24Å; E130-Q133 PolarHBondContact O-N 3.06Å; E130-Q133 VanDerWaalsContact O-N 3.12Å; E130-F134 WeakPolarHBondContact O-CD2 3.47Å; E130-F134 PolarHBondContact O-N 3.36Å |
| 131 | Q | 58.8 | Low | 58.9 | Low | 129 Ų | 129 | 114.8 Ų | 114.8 | 60% | 0.603 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.7 | -33 | 176 | -76.4 | -176.5 | 0.9 | 0 | 0 | 112.6 | E124 T135 | E124-Q131 PolarHBondContact OE1-NE2 3.18Å; Q131-T135 PolarHBondContact O-N 3.08Å |
| 132 | A | 58.2 | Low | 57.9 | Low | 68 Ų | 68 | 116.1 Ų | 116.1 | 56% | 0.562 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.6 | -28.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E130 T135 | E130-A132 PolarHBondContact O-N 3.24Å; A132-T135 PolarHBondContact O-OG1 3.39Å; A132-T135 VanDerWaalsContact O-OG1 3.1Å |
| 133 | Q | 55.8 | Low | 57.1 | Low | 149 Ų | 149 | 121.9 Ų | 121.9 | 70% | 0.696 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -79.6 | -25.2 | 176.8 | -73.7 | -175.9 | 4 | 0 | 0 | 113.1 | N129 E130 | N129-Q133 WeakPolarHBondContact O-CG 3.5Å; N129-Q133 PolarHBondContact O-N 3.37Å; E130-Q133 PolarHBondContact O-N 3.06Å; E130-Q133 VanDerWaalsContact O-N 3.12Å |
| 134 | F | 53.3 | Low | 56.1 | Low | 136 Ų | 136 | 122.9 Ų | 122.9 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -96.8 | -5.5 | -177 | -77.6 | -77.9 | 0 | 0 | 0 | 115.4 | E130 G136 Y137 | E130-F134 WeakPolarHBondContact O-CD2 3.47Å; E130-F134 PolarHBondContact O-N 3.36Å; F134-G136 PolarHBondContact O-N 3.24Å; F134-Y137 HydrophobicContact CD1-CD2 4.24Å; F134-Y137 PolarHBondContact O-N 3.31Å; F134-Y137 VanDerWaalsContact O-N 3.17Å |
| 135 | T | 52.1 | Low | 54.8 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 67% | 0.669 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -9.8 | 176.5 | 32.3 | 0 | 0 | 0 | 0 | 114.4 | Q131 A132 | Q131-T135 PolarHBondContact O-N 3.08Å; A132-T135 PolarHBondContact O-OG1 3.39Å; A132-T135 VanDerWaalsContact O-OG1 3.1Å |
| 136 | G | 54.1 | Low | 53.6 | Low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -15.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | F134 | F134-G136 PolarHBondContact O-N 3.24Š|
| 137 | Y | 50.5 | Low | 52.6 | Low | 180 Ų | 180 | 122.2 Ų | 122.2 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | | | trans | -105.7 | 64.3 | -176.1 | -62.9 | -81.5 | 0 | 0 | 0 | 111.3 | F134 W139 | F134-Y137 HydrophobicContact CD1-CD2 4.24Å; F134-Y137 PolarHBondContact O-N 3.31Å; F134-Y137 VanDerWaalsContact O-N 3.17Å; Y137-W139 PolarHBondContact O-N 2.94Å |
| 138 | T | 50.3 | Low | 51.4 | Low | 123 Ų | 123 | 126.7 Ų | 126.7 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | | | trans | -79.3 | 95.9 | 163.3 | 51.5 | 0 | 0 | 0 | 0 | 108.2 | N140 | T138-N140 PolarHBondContact O-N 3.12Š|
| 139 | W | 44.9 | Very low | 50.9 | Low | 209 Ų | 209 | 127.5 Ų | 127.5 | 79% | 0.792 | 69% | 0.687 | S | S | * | * | | | trans | -70 | 89 | 166.1 | 49.2 | -67 | 0 | 0 | 0 | 106.9 | Y137 I141 | Y137-W139 PolarHBondContact O-N 2.94Å; W139-I141 HydrophobicContact CD2-CG1 4.35Å; W139-I141 HydrophobicContact CE3-CD1 3.62Å; W139-I141 HydrophobicContact CE3-CG1 3.45Å; W139-I141 VanDerWaalsContact CE3-CG1 3.45Å; W139-I141 HydrophobicContact CH2-CD1 3.82Å; W139-I141 HydrophobicContact CZ3-CD1 3.18Å; W139-I141 HydrophobicContact CZ3-CG1 3.62Å; W139-I141 PolarHBondContact O-N 2.8Å |
| 140 | N | 51.7 | Low | 49.8 | Very low | 134 Ų | 134 | 133 Ų | 133 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | | | trans | -68.7 | 99.1 | 177.2 | -166.9 | -6 | 0 | 0 | 0 | 108.3 | T138 N142 | T138-N140 PolarHBondContact O-N 3.12Å; N140-N142 PolarHBondContact O-N 3.33Å |
| 141 | I | 49 | Very low | 49.1 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 53% | 0.528 | 73% | 0.725 | S | S | . | * | | | trans | -73.3 | 71.4 | 171.7 | -43.7 | 171.1 | 0 | 0 | 0 | 107.5 | W139 R143 | W139-I141 HydrophobicContact CD2-CG1 4.35Å; W139-I141 HydrophobicContact CE3-CD1 3.62Å; W139-I141 HydrophobicContact CE3-CG1 3.45Å; W139-I141 VanDerWaalsContact CE3-CG1 3.45Å; W139-I141 HydrophobicContact CH2-CD1 3.82Å; W139-I141 HydrophobicContact CZ3-CD1 3.18Å; W139-I141 HydrophobicContact CZ3-CG1 3.62Å; W139-I141 PolarHBondContact O-N 2.8Å; I141-R143 VanDerWaalsContact C-N 3.34Å; I141-R143 HydrophobicContact CG2-CG 3.96Å; I141-R143 PolarHBondContact O-N 3.12Å |
| 142 | N | 44.6 | Very low | 48.7 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | | | trans | -75.8 | 94.2 | 174.1 | -150.4 | -10.4 | 0 | 0 | 0 | 107.6 | N140 N144 | N140-N142 PolarHBondContact O-N 3.33Å; N142-N144 PolarHBondContact O-N 3.41Å |
| 143 | R | 49.4 | Very low | 48.3 | Very low | 217 Ų | 217 | 143.9 Ų | 143.9 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 4.7 | -171.9 | -77.4 | -169.8 | -179.1 | -175.3 | 0.4 | 115.7 | I141 | I141-R143 VanDerWaalsContact C-N 3.34Å; I141-R143 HydrophobicContact CG2-CG 3.96Å; I141-R143 PolarHBondContact O-N 3.12Å |
| 144 | N | 44.8 | Very low | 48 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 20.4 | -171.5 | -68.6 | -17.5 | 0 | 0 | 0 | 115 | N142 | N142-N144 PolarHBondContact O-N 3.41Š|
| 145 | A | 41.6 | Very low | 48.4 | Very low | 83 Ų | 83 | 142.8 Ų | 142.8 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | | | trans | -97.8 | 100.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A147 | A145-A147 PolarHBondContact O-N 3.12Š|
| 146 | D | 40.8 | Very low | 48.4 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | | | trans | -30.7 | 118.2 | 168.5 | -73.2 | -66 | 0 | 0 | 0 | 113 | D148 | D146-D148 VanDerWaalsContact C-N 3.32Å; D146-D148 PolarHBondContact O-N 3.46Å |
| 147 | A | 50.9 | Low | 48.6 | Very low | 96 Ų | 96 | 150.1 Ų | 150.1 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -73.7 | 76.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A145 | A145-A147 PolarHBondContact O-N 3.12Š|
| 148 | D | 42.8 | Very low | 48.4 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | -165.2 | 32.7 | 165.9 | -109.7 | -24.8 | 0 | 0 | 0 | 118.2 | D146 | D146-D148 VanDerWaalsContact C-N 3.32Å; D146-D148 PolarHBondContact O-N 3.46Å |
| 149 | S | 50.5 | Low | 48.4 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -130.4 | 90.9 | 171.4 | -178.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 150 | R | 43.3 | Very low | 48.8 | Very low | 232 Ų | 232 | 141.7 Ų | 141.7 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | | | trans | -0.3 | 122.7 | 145.7 | -62.5 | 176.2 | -178.6 | -172.2 | -0.5 | 116.3 | | |
| 151 | K | 43.4 | Very low | 48.3 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 70.8 | 115.1 | 160.6 | -57.2 | -167.2 | 178.1 | -172.4 | 0 | 115 | K153 | K151-K153 PolarHBondContact O-N 3.39Š|
| 152 | A | 49.9 | Very low | 48.3 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | -41.6 | 108.5 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | M154 | A152-M154 PolarHBondContact O-N 3.14Š|
| 153 | K | 49.5 | Very low | 48.2 | Very low | 201 Ų | 201 | 149.3 Ų | 149.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -66.3 | 90.2 | 162.2 | -81.2 | 176.2 | 176.4 | 175 | 0 | 105.6 | K151 P155 | K151-K153 PolarHBondContact O-N 3.39Å; K153-P155 WeakPolarHBondContact O-CD 3.44Å |
| 154 | M | 49.7 | Very low | 47.5 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | | | trans | -52.5 | 120.8 | 157.7 | -68.6 | -66.9 | -69.4 | 0 | 0 | 105.6 | A152 L156 | A152-M154 PolarHBondContact O-N 3.14Å; M154-L156 PolarHBondContact O-N 3.02Å |
| 155 | P | 62.3 | Low | 47 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -58.8 | 112.5 | 173.5 | 21.9 | -29.1 | 0 | 0 | 0 | 106.9 | K153 L157 | K153-P155 WeakPolarHBondContact O-CD 3.44Å; P155-L157 VanDerWaalsContact C-N 3.26Å; P155-L157 PolarHBondContact O-N 3.12Å |
| 156 | L | 52.5 | Low | 47.2 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | trans | -62.8 | 96.3 | 168.5 | -75.9 | 162.8 | 0 | 0 | 0 | 105.8 | M154 S158 | M154-L156 PolarHBondContact O-N 3.02Å; L156-S158 VanDerWaalsContact C-N 3.34Å; L156-S158 PolarHBondContact O-N 2.93Å |
| 157 | L | 57.4 | Low | 46.8 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -61.4 | 101.7 | 165.1 | -77.8 | 157.5 | 0 | 0 | 0 | 106.3 | P155 | P155-L157 VanDerWaalsContact C-N 3.26Å; P155-L157 PolarHBondContact O-N 3.12Å |
| 158 | S | 46.7 | Very low | 46.4 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 127.2 | 170.2 | -56.3 | 0 | 0 | 0 | 0 | 108.3 | L156 | L156-S158 VanDerWaalsContact C-N 3.34Å; L156-S158 PolarHBondContact O-N 2.93Å |
| 159 | P | 49.7 | Very low | 46.1 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 141.7 | 175.6 | 23.4 | -31.2 | 0 | 0 | 0 | 109.3 | Q161 | P159-Q161 PolarHBondContact O-N 2.96Š|
| 160 | P | 53.9 | Low | 45.3 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 126.2 | -178.4 | 22 | -31.6 | 0 | 0 | 0 | 109.9 | V162 | P160-V162 VanDerWaalsContact C-N 3.3Å; P160-V162 PolarHBondContact O-N 3.26Å |
| 161 | Q | 40.6 | Very low | 45.4 | Very low | 195 Ų | 195 | 134.8 Ų | 134.8 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -66.9 | 91.2 | 169.7 | -73.4 | -171.7 | -29.6 | 0 | 0 | 108.4 | P159 Q163 | P159-Q161 PolarHBondContact O-N 2.96Å; Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 3.23Å; Q161-Q163 VanDerWaalsContact O-N 3.09Å |
| 162 | V | 50.1 | Low | 45.4 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -77.5 | 90.5 | 163.5 | -177.2 | 0 | 0 | 0 | 0 | 106.3 | P160 A164 | P160-V162 VanDerWaalsContact C-N 3.3Å; P160-V162 PolarHBondContact O-N 3.26Å; V162-A164 PolarHBondContact O-N 3.18Å |
| 163 | Q | 42.2 | Very low | 44.6 | Very low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -64.7 | 126.3 | 165.5 | -161.2 | 166.2 | 8.6 | 0 | 0 | 107.7 | Q161 | Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 3.23Å; Q161-Q163 VanDerWaalsContact O-N 3.09Å |
| 164 | A | 34.1 | Very low | 44.4 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | | | trans | -63 | 146 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V162 | V162-A164 PolarHBondContact O-N 3.18Š|
| 165 | D | 35.8 | Very low | 43.5 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | | -162.1 | 159.2 | 129.9 | -104.3 | -16.8 | 0 | 0 | 0 | 111.2 | | |
| 166 | P | 44.2 | Very low | 42 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 169.4 | -132.2 | 38.3 | -36.7 | 0 | 0 | 0 | 116.2 | | |
| 167 | A | 34 | Very low | 41 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 152.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 168 | P | 42.5 | Very low | 39.8 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 142.3 | 135.1 | 32 | -26.7 | 0 | 0 | 0 | 111.2 | | |
| 169 | A | 37 | Very low | 39.6 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 156.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 170 | A | 33.1 | Very low | 39 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 139.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 171 | P | 44.3 | Very low | 38.5 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 120.6 | 149.5 | 29.2 | -25.8 | 0 | 0 | 0 | 109.7 | | |
| 172 | D | 43.6 | Very low | 38.4 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 134.3 | 163.6 | -96.4 | -43.7 | 0 | 0 | 0 | 111.3 | | |
| 173 | Q | 34.1 | Very low | 38.1 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | trans | 44.9 | 110.9 | 148.6 | -53.7 | -172.4 | 22 | 0 | 0 | 120.2 | | |
| 174 | V | 45.1 | Very low | 38.1 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 93% | 0.933 | 78% | 0.776 | S | S | * | * | | | trans | -145.8 | 137.4 | 134.3 | -167 | 0 | 0 | 0 | 0 | 110.7 | | |
| 175 | Q | 30.8 | Very low | 38.9 | Very low | 151 Ų | 151 | 140 Ų | 140 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | -89 | 156.4 | -176.5 | -138.4 | 175.3 | -1.2 | 0 | 0 | 112.2 | | |
| 176 | F | 30.1 | Very low | 39.6 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 71 | 134.2 | 151.8 | -70.9 | -62.7 | 0 | 0 | 0 | 123.6 | | |
| 177 | A | 32.4 | Very low | 40.1 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | | | trans | 100.5 | 113.9 | 137 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 178 | Q | 32 | Very low | 40.9 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | 53.9 | 128.7 | 138.7 | -58.4 | -167.8 | 2.1 | 0 | 0 | 121.3 | | |
| 179 | S | 43 | Very low | 41.6 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | | | | -156.3 | 122.5 | 115.7 | 61 | 0 | 0 | 0 | 0 | 112.7 | H181 | S179-H181 PolarHBondContact O-N 3.43Å; S179-H181 PolarHBondContact OG-CD2 3.47Å; S179-H181 VanDerWaalsContact OG-CD2 3.24Å; S179-H181 PolarHBondContact OG-NE2 3.2Å; S179-H181 VanDerWaalsContact OG-NE2 3.1Å |
| 180 | T | 37 | Very low | 42.6 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | | | trans | -76.4 | 98.7 | 164.9 | -45.9 | 0 | 0 | 0 | 0 | 108 | R182 | T180-R182 HydrophobicContact CG2-CG 4.39Å; T180-R182 PolarHBondContact O-N 3.25Å |
| 181 | H | 42.8 | Very low | 43 | Very low | 136 Ų | 136 | 144 Ų | 144 | 63% | 0.63 | 77% | 0.771 | S | S | * | * | | | trans | -85.9 | 86.4 | 170.1 | -76.8 | -70.6 | 0 | 0 | 0 | 110.4 | S179 Y183 | S179-H181 PolarHBondContact O-N 3.43Å; S179-H181 PolarHBondContact OG-CD2 3.47Å; S179-H181 VanDerWaalsContact OG-CD2 3.24Å; S179-H181 PolarHBondContact OG-NE2 3.2Å; S179-H181 VanDerWaalsContact OG-NE2 3.1Å; H181-Y183 HydrophobicContact CB-CE2 4.13Å; H181-Y183 PolarHBondContact O-N 3.24Å |
| 182 | R | 39 | Very low | 43.5 | Very low | 215 Ų | 215 | 144.5 Ų | 144.5 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | -67.4 | 107.5 | 153.5 | -69 | -168.3 | 177.8 | -155.3 | 0.5 | 107.2 | T180 T184 | T180-R182 HydrophobicContact CG2-CG 4.39Å; T180-R182 PolarHBondContact O-N 3.25Å; R182-T184 PolarHBondContact O-N 3.04Å; R182-T184 VanDerWaalsContact O-N 3.07Å |
| 183 | Y | 43.7 | Very low | 43.8 | Very low | 212 Ų | 212 | 143.3 Ų | 143.3 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | | | trans | -73.8 | 96 | 165.5 | -74.4 | -83.2 | 0 | 0 | 0 | 108.6 | H181 N185 | H181-Y183 HydrophobicContact CB-CE2 4.13Å; H181-Y183 PolarHBondContact O-N 3.24Å; Y183-N185 PolarHBondContact O-N 3.46Å |
| 184 | T | 42.4 | Very low | 44.1 | Very low | 126 Ų | 126 | 143 Ų | 143 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -73.4 | 107.7 | 159 | 49.1 | 0 | 0 | 0 | 0 | 107.6 | R182 P186 | R182-T184 PolarHBondContact O-N 3.04Å; R182-T184 VanDerWaalsContact O-N 3.07Å; T184-P186 VanDerWaalsContact O-CD 3.3Å; T184-P186 WeakPolarHBondContact O-CD 3.41Å |
| 185 | N | 51.1 | Low | 43.8 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | | | trans | -97.5 | 100.2 | 167.4 | -155.9 | 8 | 0 | 0 | 0 | 107.1 | Y183 L187 | Y183-N185 PolarHBondContact O-N 3.46Å; N185-L187 PolarHBondContact O-N 3.13Å |
| 186 | P | 49.1 | Very low | 44.2 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | trans | -68.9 | 115.8 | 179.6 | 27.3 | -31.7 | 0 | 0 | 0 | 109.5 | T184 | T184-P186 VanDerWaalsContact O-CD 3.3Å; T184-P186 WeakPolarHBondContact O-CD 3.41Å |
| 187 | L | 55.7 | Low | 44.6 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | -60.9 | 138.8 | 167.7 | -73.7 | 157.3 | 0 | 0 | 0 | 109.3 | N185 T189 | N185-L187 PolarHBondContact O-N 3.13Å; L187-T189 PolarHBondContact O-N 2.94Å |
| 188 | P | 49.8 | Very low | 44.7 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -63.8 | 132.5 | 179 | 24.6 | -31.9 | 0 | 0 | 0 | 110.9 | V190 | P188-V190 PolarHBondContact O-N 3.31Š|
| 189 | T | 56.7 | Low | 45.2 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -62 | 102.8 | 179.9 | -18.5 | 0 | 0 | 0 | 0 | 110.1 | L187 N191 | L187-T189 PolarHBondContact O-N 2.94Å; T189-N191 PolarHBondContact O-N 2.84Å |
| 190 | V | 58.7 | Low | 44.9 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | | | trans | -81.1 | 104 | 167.1 | -176.1 | 0 | 0 | 0 | 0 | 107.1 | P188 L192 | P188-V190 PolarHBondContact O-N 3.31Å; V190-L192 VanDerWaalsContact C-N 3.26Å; V190-L192 HydrophobicContact CB-CD1 4.1Å; V190-L192 HydrophobicContact CG1-CD1 3.5Å; V190-L192 HydrophobicContact CG1-CG 4.06Å; V190-L192 PolarHBondContact O-N 2.77Å |
| 191 | N | 41.6 | Very low | 44.9 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -65.2 | 86.4 | 167.3 | -80.6 | -26 | 0 | 0 | 0 | 108.9 | T189 | T189-N191 PolarHBondContact O-N 2.84Š|
| 192 | L | 55.7 | Low | 44.6 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | | | trans | -82.6 | 130.5 | 160.6 | -76.7 | 114.4 | 0 | 0 | 0 | 108.6 | V190 N194 | V190-L192 VanDerWaalsContact C-N 3.26Å; V190-L192 HydrophobicContact CB-CD1 4.1Å; V190-L192 HydrophobicContact CG1-CD1 3.5Å; V190-L192 HydrophobicContact CG1-CG 4.06Å; V190-L192 PolarHBondContact O-N 2.77Å; L192-N194 PolarHBondContact O-N 2.76Å |
| 193 | P | 48.8 | Very low | 44.6 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -63.4 | 127.7 | -179.6 | 24.1 | -31.7 | 0 | 0 | 0 | 110.6 | N195 | P193-N195 PolarHBondContact O-N 3.09Š|
| 194 | N | 40.4 | Very low | 44.6 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | | | trans | -44.9 | 109.5 | 165.4 | -74 | -31.8 | 0 | 0 | 0 | 110 | L192 | L192-N194 PolarHBondContact O-N 2.76Š|
| 195 | N | 38.5 | Very low | 44.7 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | trans | -133.6 | 98 | 156.9 | -137.3 | 9.7 | 0 | 0 | 0 | 109.4 | P193 | P193-N195 PolarHBondContact O-N 3.09Š|
| 196 | V | 39.4 | Very low | 44.5 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | | | trans | 57.5 | 100.2 | 145 | -69.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 197 | T | 38 | Very low | 44 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | | | | 69.6 | 125.8 | 115.6 | -23.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 198 | S | 36.4 | Very low | 43.5 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | -73 | 143.4 | 178.2 | -24.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 199 | T | 42.2 | Very low | 43.3 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | | | trans | -140.6 | 126.8 | 150.9 | 36.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 200 | G | 35.8 | Very low | 42.7 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | -87.1 | 173.6 | -162.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 201 | S | 37.1 | Very low | 42 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | | | trans | -164.1 | 134.4 | 142.7 | -77 | 0 | 0 | 0 | 0 | 109.4 | | |
| 202 | S | 36.9 | Very low | 42.6 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | | | trans | -91.7 | 154 | -171.6 | 43.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 203 | A | 39.1 | Very low | 42 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 83% | 0.834 | S | S | * | * | | | | 159.7 | 125.8 | 116.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 204 | S | 42.6 | Very low | 41.7 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 88% | 0.881 | 84% | 0.84 | S | S | * | * | | | trans | 54.9 | 122.5 | 140.9 | 55 | 0 | 0 | 0 | 0 | 123 | | |
| 205 | E | 46.1 | Very low | 42 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 94% | 0.935 | 83% | 0.826 | S | S | * | * | | | trans | -121 | 122.4 | 175.5 | -163.9 | 166.5 | -179.6 | 0 | 0 | 110.7 | | |
| 206 | S | 45.1 | Very low | 42.5 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | | | trans | -104.1 | 139.2 | -173.7 | 64.1 | 0 | 0 | 0 | 0 | 113 | | |
| 207 | T | 39.5 | Very low | 42.6 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 87% | 0.871 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 143.3 | -178.7 | 5.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 208 | P | 44.5 | Very low | 42.9 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 151.2 | -174.2 | 33.9 | -34.8 | 0 | 0 | 0 | 115.9 | | |
| 209 | P | 47 | Very low | 43.2 | Very low | 136 Ų | 136 | 144 Ų | 144 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 158.7 | -176.9 | 32.9 | -34.3 | 0 | 0 | 0 | 116.8 | | |
| 210 | M | 43.8 | Very low | 43.1 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 94% | 0.941 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 158.2 | -166.6 | -77.6 | 176.7 | 67.2 | 0 | 0 | 118.5 | | |
| 211 | Q | 44.1 | Very low | 43.7 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 139.2 | 172.6 | -76.5 | 171.4 | -33.1 | 0 | 0 | 113.9 | | |
| 212 | E | 53.6 | Low | 44.3 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | | | trans | -124.1 | 138.1 | 158.3 | -79.3 | -171.5 | 166.9 | 0 | 0 | 110.5 | | |
| 213 | T | 44 | Very low | 44.8 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 80% | 0.798 | 84% | 0.844 | S | S | * | * | | | trans | -106 | 120.9 | -167.4 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 214 | F | 40.7 | Very low | 44.6 | Very low | 205 Ų | 205 | 156.3 Ų | 156.3 | 90% | 0.899 | 84% | 0.842 | S | S | * | * | | | trans | -93.5 | 108 | 175.4 | -74 | -86.7 | 0 | 0 | 0 | 110.9 | | |
| 215 | A | 48.7 | Very low | 44.5 | Very low | 71 Ų | 71 | 157.6 Ų | 157.6 | 59% | 0.587 | 84% | 0.839 | S | S | * | * | | | trans | -123.3 | 32.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 216 | D | 48.2 | Very low | 44.5 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | | | trans | -126.9 | 42.1 | -170.7 | -77.5 | -29.2 | 0 | 0 | 0 | 115.6 | | |
| 217 | C | 41.8 | Very low | 44.2 | Very low | 129 Ų | 129 | 157.3 Ų | 157.3 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | | | trans | -122.3 | 19.4 | 172.9 | -66 | 0 | 0 | 0 | 0 | 114.8 | D219 | C217-D219 VanDerWaalsContact C-N 3.33Å; C217-D219 PolarHBondContact O-N 3.47Å |
| 218 | F | 44.1 | Very low | 44.1 | Very low | 201 Ų | 201 | 159.3 Ų | 159.3 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | | | trans | -87.7 | 67.8 | 173.8 | -72.9 | -78.4 | 0 | 0 | 0 | 111.6 | | |
| 219 | D | 43.4 | Very low | 43.8 | Very low | 166 Ų | 166 | 163.4 Ų | 163.4 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | | | trans | -82.3 | 131.2 | 165.7 | -98.1 | -31.2 | 0 | 0 | 0 | 111 | C217 | C217-D219 VanDerWaalsContact C-N 3.33Å; C217-D219 PolarHBondContact O-N 3.47Å |
| 220 | S | 40 | Very low | 43.6 | Very low | 109 Ų | 109 | 161 Ų | 161 | 76% | 0.762 | 84% | 0.839 | S | S | * | * | | | trans | -60.7 | 149.4 | -164.6 | -76.9 | 0 | 0 | 0 | 0 | 116.3 | R222 | S220-R222 PolarHBondContact O-N 3.41Š|
| 221 | P | 48.5 | Very low | 43.3 | Very low | 123 Ų | 123 | 159.3 Ų | 159.3 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | | | trans | -76.7 | 111.8 | -175.7 | 29.5 | -33.2 | 0 | 0 | 0 | 112.9 | | |
| 222 | R | 48.1 | Very low | 43 | Very low | 253 Ų | 253 | 157.6 Ų | 157.6 | 96% | 0.955 | 83% | 0.83 | S | S | * | * | | | trans | -77.9 | 131.6 | 165.8 | -85.6 | -175 | 168.3 | -150.8 | -0.8 | 110.6 | S220 | S220-R222 PolarHBondContact O-N 3.41Š|
| 223 | Q | 47.3 | Very low | 42.4 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | | | trans | -81.1 | 144 | -168.9 | -62.7 | 175.8 | -36.3 | 0 | 0 | 114.5 | | |
| 224 | H | 36.3 | Very low | 42.3 | Very low | 155 Ų | 155 | 156.6 Ų | 156.6 | 72% | 0.718 | 83% | 0.825 | S | S | * | * | | | trans | 26.2 | 117.4 | 137.4 | -79.1 | -104.5 | 0 | 0 | 0 | 120.3 | | |
| 225 | N | 39.4 | Very low | 42.3 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | | | | 162.2 | 84.3 | 123.2 | -84.6 | -19.9 | 0 | 0 | 0 | 111.5 | | |
| 226 | V | 45.6 | Very low | 42.1 | Very low | 136 Ų | 136 | 154.4 Ų | 154.4 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | | | trans | -143.3 | 48.6 | 165.6 | -159 | 0 | 0 | 0 | 0 | 111.7 | | |
| 227 | F | 40.1 | Very low | 41.6 | Very low | 176 Ų | 176 | 156.7 Ų | 156.7 | 77% | 0.772 | 82% | 0.823 | S | S | * | * | | | trans | -136 | 67.4 | 169 | -83.2 | -77.3 | 0 | 0 | 0 | 110.9 | Y290 | F227-Y290 WeakPolarHBondContact CE2-OH 3.3Å; F227-Y290 HydrophobicContact CZ-CE2 4.34Å |
| 228 | Q | 37.3 | Very low | 42.1 | Very low | 185 Ų | 185 | 156.7 Ų | 156.7 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | trans | -144.7 | 87.8 | 158.4 | -83.7 | -175.5 | 3.4 | 0 | 0 | 108 | | |
| 229 | Q | 38.6 | Very low | 42.2 | Very low | 205 Ų | 205 | 155.5 Ų | 155.5 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | | | trans | 173.3 | 119.1 | 149.3 | -97.2 | 165.3 | 26.8 | 0 | 0 | 109.8 | | |
| 230 | G | 41.2 | Very low | 42.7 | Very low | 84 Ų | 84 | 156.1 Ų | 156.1 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | 152.3 | 58.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 231 | L | 39.3 | Very low | 43.2 | Very low | 157 Ų | 157 | 159.5 Ų | 159.5 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | | | trans | -75 | 155 | 167.1 | -82.4 | 151.1 | 0 | 0 | 0 | 110.8 | | |
| 232 | D | 37.9 | Very low | 43.3 | Very low | 147 Ų | 147 | 159.3 Ų | 159.3 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | | | trans | 78.7 | 96.4 | 156.5 | -52.8 | -27.5 | 0 | 0 | 0 | 120.2 | | |
| 233 | Q | 39.1 | Very low | 43.2 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -147.3 | 121.4 | 145.1 | -95.8 | -88 | -7.8 | 0 | 0 | 108.5 | | |
| 234 | P | 42.2 | Very low | 43.1 | Very low | 102 Ų | 102 | 153.6 Ų | 153.6 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | | | trans | -94.5 | 153.7 | -167.3 | 36.3 | -34.5 | 0 | 0 | 0 | 114.7 | A236 | P234-A236 PolarHBondContact O-N 3.09Š|
| 235 | D | 41.1 | Very low | 44 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | | | trans | 29.7 | 71.8 | 148.6 | -59.6 | -25.4 | 0 | 0 | 0 | 118.6 | Y237 | D235-Y237 HydrophobicContact CB-CE2 4.36Š|
| 236 | A | 43.9 | Very low | 44.5 | Very low | 89 Ų | 89 | 149.4 Ų | 149.4 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | trans | -93.9 | 93.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P234 V238 | P234-A236 PolarHBondContact O-N 3.09Å; A236-V238 VanDerWaalsContact C-N 3.33Å; A236-V238 PolarHBondContact O-N 3.08Å |
| 237 | Y | 39.1 | Very low | 44.5 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -55.3 | 92.8 | 163.6 | -74.3 | -96.4 | 0 | 0 | 0 | 109.7 | D235 Q239 | D235-Y237 HydrophobicContact CB-CE2 4.36Å; Y237-Q239 PolarHBondContact O-N 3.12Å |
| 238 | V | 50.8 | Low | 45 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | | | trans | -83.1 | 97.7 | 166.1 | -176.5 | 0 | 0 | 0 | 0 | 107 | A236 M240 | A236-V238 VanDerWaalsContact C-N 3.33Å; A236-V238 PolarHBondContact O-N 3.08Å; V238-M240 PolarHBondContact O-N 3.3Å |
| 239 | Q | 47.9 | Very low | 45.3 | Very low | 176 Ų | 176 | 144.2 Ų | 144.2 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -49 | 117 | 170.8 | -162.6 | 170.1 | 3.4 | 0 | 0 | 109.3 | Y237 E241 | Y237-Q239 PolarHBondContact O-N 3.12Å; Q239-E241 PolarHBondContact O-N 3.19Å; Q239-E241 VanDerWaalsContact O-N 3.11Å |
| 240 | M | 53.5 | Low | 45.7 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -72.8 | 101.4 | 176.9 | -66.5 | -139 | -64.6 | 0 | 0 | 109.1 | V238 S242 | V238-M240 PolarHBondContact O-N 3.3Å; M240-S242 PolarHBondContact O-N 3.47Å |
| 241 | E | 50.2 | Low | 46.2 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -68.8 | 115.7 | 161.9 | -73 | 174.1 | 170.5 | 0 | 0 | 107.9 | Q239 Y243 | Q239-E241 PolarHBondContact O-N 3.19Å; Q239-E241 VanDerWaalsContact O-N 3.11Å; E241-Y243 PolarHBondContact O-N 3.34Å |
| 242 | S | 49.5 | Very low | 46.7 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -62.5 | 92 | 178.6 | 17.1 | 0 | 0 | 0 | 0 | 110 | M240 S244 | M240-S242 PolarHBondContact O-N 3.47Å; S242-S244 PolarHBondContact O-N 3.2Å |
| 243 | Y | 48 | Very low | 46.9 | Very low | 214 Ų | 214 | 147.3 Ų | 147.3 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | -69.5 | 100.5 | 171.6 | -163.8 | -94.9 | 0 | 0 | 0 | 109.1 | E241 P245 | E241-Y243 PolarHBondContact O-N 3.34Å; Y243-P245 WeakPolarHBondContact O-CD 3.28Å |
| 244 | S | 44.2 | Very low | 47.3 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -86.3 | 114 | 172.2 | -168.5 | 0 | 0 | 0 | 0 | 108.8 | S242 S246 | S242-S244 PolarHBondContact O-N 3.2Å; S244-S246 PolarHBondContact O-N 2.83Å |
| 245 | P | 54.1 | Low | 47.1 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | | | trans | -66.7 | 106.4 | 174.8 | 25.5 | -30.5 | 0 | 0 | 0 | 108.9 | Y243 A247 | Y243-P245 WeakPolarHBondContact O-CD 3.28Å; P245-A247 PolarHBondContact O-N 2.99Å |
| 246 | S | 50.6 | Low | 46.8 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -54.1 | 130.6 | 168.6 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | S244 A248 | S244-S246 PolarHBondContact O-N 2.83Å; S246-A248 PolarHBondContact O-N 3.01Å |
| 247 | A | 46.2 | Very low | 46.6 | Very low | 94 Ų | 94 | 146.8 Ų | 146.8 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -53.9 | 99.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P245 K249 | P245-A247 PolarHBondContact O-N 2.99Å; A247-K249 PolarHBondContact O-N 2.9Å |
| 248 | A | 49.5 | Very low | 46.8 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | trans | -58.4 | 116.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107 | S246 K250 | S246-A248 PolarHBondContact O-N 3.01Å; A248-K250 PolarHBondContact O-N 2.83Å; A248-K250 VanDerWaalsContact O-N 3.11Å |
| 249 | K | 44.8 | Very low | 46.2 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | | | trans | -42.4 | 120.1 | 174.4 | -83.9 | 175.5 | 171.5 | 177.9 | 0 | 108.9 | A247 P251 | A247-K249 PolarHBondContact O-N 2.9Å; K249-P251 WeakPolarHBondContact O-CD 3.03Å |
| 250 | K | 46.4 | Very low | 46.1 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | | | trans | -52.2 | 122.8 | 167.4 | -64.9 | -180 | 179.6 | -179.1 | 0 | 107.1 | A248 N252 | A248-K250 PolarHBondContact O-N 2.83Å; A248-K250 VanDerWaalsContact O-N 3.11Å; K250-N252 PolarHBondContact O-N 2.88Å; K250-N252 VanDerWaalsContact O-N 3.1Å |
| 251 | P | 52.1 | Low | 45.1 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 59% | 0.591 | 79% | 0.787 | S | S | * | * | | | trans | -60.7 | 118.8 | 173.1 | 22.3 | -29.9 | 0 | 0 | 0 | 108.1 | K249 W253 | K249-P251 WeakPolarHBondContact O-CD 3.03Å; P251-W253 PolarHBondContact O-N 2.73Å; P251-W253 VanDerWaalsContact O-N 3.14Å |
| 252 | N | 50 | Low | 44.5 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -76.3 | 94 | 175.1 | -175 | 23.5 | 0 | 0 | 0 | 107.7 | K250 S254 | K250-N252 PolarHBondContact O-N 2.88Å; K250-N252 VanDerWaalsContact O-N 3.1Å; N252-S254 PolarHBondContact ND2-OG 3.14Å; N252-S254 VanDerWaalsContact ND2-OG 3.11Å; N252-S254 PolarHBondContact O-N 3.21Å; N252-S254 PolarHBondContact OD1-OG 3.03Å |
| 253 | W | 42.9 | Very low | 44 | Very low | 234 Ų | 234 | 136.5 Ų | 136.5 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | | | trans | -81.8 | 59.6 | 173.1 | -60.2 | 91.3 | 0 | 0 | 0 | 109.7 | P251 | P251-W253 PolarHBondContact O-N 2.73Å; P251-W253 VanDerWaalsContact O-N 3.14Å |
| 254 | S | 46.8 | Very low | 43.4 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 55% | 0.552 | 78% | 0.781 | S | S | * | * | | | trans | -97.7 | 108.2 | 168.6 | 61.9 | 0 | 0 | 0 | 0 | 108.9 | N252 | N252-S254 PolarHBondContact ND2-OG 3.14Å; N252-S254 VanDerWaalsContact ND2-OG 3.11Å; N252-S254 PolarHBondContact O-N 3.21Å; N252-S254 PolarHBondContact OD1-OG 3.03Å |
| 255 | G | 37.1 | Very low | 43.4 | Very low | 70 Ų | 70 | 136.5 Ų | 136.5 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 83.9 | 111.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 256 | D | 35.1 | Very low | 42.4 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | 28.9 | 100 | 142.6 | -70.1 | -31.9 | 0 | 0 | 0 | 118.3 | | |
| 257 | E | 40.1 | Very low | 41.9 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -159.5 | 137.3 | 135.4 | -111.7 | 172.9 | -167.6 | 0 | 0 | 111 | | |
| 258 | S | 42.7 | Very low | 41.5 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132.9 | -166.2 | 43.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 259 | A | 37.9 | Very low | 40.9 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 124.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M261 | A259-M261 PolarHBondContact O-N 3.27Å; A259-M261 VanDerWaalsContact O-N 3.12Å |
| 260 | P | 45.5 | Very low | 40.8 | Very low | 132 Ų | 132 | 140 Ų | 140 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 116.9 | 170.9 | 25.3 | -30.3 | 0 | 0 | 0 | 109.2 | | |
| 261 | M | 34.5 | Very low | 40.5 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 151.9 | 164.7 | -77 | -120.5 | 158.6 | 0 | 0 | 111.4 | A259 | A259-M261 PolarHBondContact O-N 3.27Å; A259-M261 VanDerWaalsContact O-N 3.12Å |
| 262 | N | 36 | Very low | 39.8 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | 95.6 | 83.6 | 161.4 | -136.8 | 1.5 | 0 | 0 | 0 | 115.9 | Q264 | N262-Q264 PolarHBondContact O-N 2.8Š|
| 263 | S | 39.5 | Very low | 38.9 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -52.4 | 127.1 | 162.1 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 264 | Q | 36.5 | Very low | 38.6 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -48 | 129.8 | 171.8 | -67.8 | 175.8 | -37.2 | 0 | 0 | 112.9 | N262 Y266 | N262-Q264 PolarHBondContact O-N 2.8Å; Q264-Y266 PolarHBondContact O-N 2.72Å |
| 265 | V | 42.5 | Very low | 38.2 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | trans | -72.7 | 97.8 | 157.6 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | S267 | V265-S267 PolarHBondContact O-N 2.82Š|
| 266 | Y | 34.2 | Very low | 37.9 | Very low | 208 Ų | 208 | 142.2 Ų | 142.2 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | | | trans | -78.3 | 93.8 | 173.4 | -161.3 | -94.4 | 0 | 0 | 0 | 109.1 | Q264 | Q264-Y266 PolarHBondContact O-N 2.72Š|
| 267 | S | 39.7 | Very low | 38 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | -103.5 | 76.2 | 169.1 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | V265 K269 | V265-S267 PolarHBondContact O-N 2.82Å; S267-K269 PolarHBondContact O-N 3.4Å |
| 268 | G | 37.9 | Very low | 37.7 | Very low | 56 Ų | 56 | 139.4 Ų | 139.4 | 58% | 0.577 | 80% | 0.799 | S | S | * | * | | | trans | -76.5 | 93 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 269 | K | 37.8 | Very low | 37.4 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | | | trans | -87.8 | 101.7 | 155 | -72.6 | -148.8 | 177.2 | -170.8 | 0 | 107.3 | S267 E271 | S267-K269 PolarHBondContact O-N 3.4Å; K269-E271 PolarHBondContact O-N 3.27Å |
| 270 | V | 40.9 | Very low | 37.3 | Very low | 136 Ų | 136 | 146.1 Ų | 146.1 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | -86.4 | 96.3 | 167.2 | 174.2 | 0 | 0 | 0 | 0 | 105.7 | | |
| 271 | E | 41.1 | Very low | 36.6 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -74.8 | 148.5 | 165 | -75.8 | 176.6 | 168.1 | 0 | 0 | 109.6 | K269 | K269-E271 PolarHBondContact O-N 3.27Š|
| 272 | D | 37.3 | Very low | 36.6 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | | | trans | -66.8 | 145 | -158.1 | -68.8 | -68.5 | 0 | 0 | 0 | 115.8 | | |
| 273 | N | 31.8 | Very low | 36.4 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -31.4 | 124.7 | 161 | -64.6 | -76.2 | 0 | 0 | 0 | 115.2 | | |
| 274 | D | 36.2 | Very low | 36.4 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -141.4 | 127.4 | 144.2 | -99.1 | -33.9 | 0 | 0 | 0 | 110.5 | | |
| 275 | L | 38.7 | Very low | 36.4 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 77.5 | 92.3 | 157.5 | -59.2 | 154.5 | 0 | 0 | 0 | 119.1 | | |
| 276 | G | 30.5 | Very low | 36 | Very low | 68 Ų | 68 | 148 Ų | 148 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | | 86.1 | 74.8 | 119.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 277 | H | 35.9 | Very low | 36.2 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | | | trans | -134.9 | 87.1 | 148.3 | -79.5 | -57.8 | 0 | 0 | 0 | 111.4 | R279 | H277-R279 PolarHBondContact O-N 2.89Å; H277-R279 VanDerWaalsContact O-N 3.13Å |
| 278 | A | 35 | Very low | 36.3 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | | | trans | -71 | 89.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 279 | R | 36.7 | Very low | 36.3 | Very low | 236 Ų | 236 | 155.6 Ų | 155.6 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -169.2 | 117 | 149.3 | -146.7 | 169.5 | 176 | -167.4 | -2.7 | 111.3 | H277 | H277-R279 PolarHBondContact O-N 2.89Å; H277-R279 VanDerWaalsContact O-N 3.13Å |
| 280 | A | 35.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 155.2 Ų | 155.2 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 56.6 | 106 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 281 | G | 31.3 | Very low | 36.2 | Very low | 60 Ų | 60 | 153 Ų | 153 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 131.1 | 98.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 282 | Y | 33.7 | Very low | 36 | Very low | 239 Ų | 239 | 147.3 Ų | 147.3 | 94% | 0.937 | 79% | 0.79 | S | S | * | * | | | trans | 70.5 | 60.1 | 153.8 | -47.6 | -77.9 | 0 | 0 | 0 | 117 | | |
| 283 | S | 32.2 | Very low | 36.2 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | trans | -95.3 | 102.6 | 151.3 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | R285 | S283-R285 PolarHBondContact O-N 2.8Š|
| 284 | T | 38.7 | Very low | 36.5 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -29.9 | 97.1 | 158.5 | 30.4 | 0 | 0 | 0 | 0 | 113 | | |
| 285 | R | 37.4 | Very low | 36.9 | Very low | 224 Ų | 224 | 153 Ų | 153 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -108.8 | 93.1 | 159.9 | -72.2 | -168.9 | -177 | -170.1 | 1.6 | 109.1 | S283 R287 | S283-R285 PolarHBondContact O-N 2.8Å; R285-R287 PolarHBondContact O-N 3.05Å |
| 286 | H | 34.4 | Very low | 37.4 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | 28.7 | 88.4 | 144.1 | -58.1 | -82.8 | 0 | 0 | 0 | 115.9 | | |
| 287 | R | 38.6 | Very low | 37.8 | Very low | 248 Ų | 248 | 148.8 Ų | 148.8 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | | | trans | -100 | 91.8 | 149.8 | -158.8 | 174.2 | -167.3 | -164.7 | 3.1 | 107.5 | R285 | R285-R287 PolarHBondContact O-N 3.05Š|
| 288 | S | 41.7 | Very low | 38.7 | Very low | 90 Ų | 90 | 146.9 Ų | 146.9 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | | | trans | -11 | 124.3 | 165 | -34.2 | 0 | 0 | 0 | 0 | 114.1 | Y290 | S288-Y290 VanDerWaalsContact C-N 3.3Å; S288-Y290 PolarHBondContact O-N 3.11Å |
| 289 | E | 36.5 | Very low | 39.8 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -27.6 | 94.2 | 145.7 | -64.4 | 164.9 | -177.3 | 0 | 0 | 110.4 | A291 | E289-A291 PolarHBondContact O-N 3.1Š|
| 290 | Y | 37.4 | Very low | 40.1 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | | | trans | -79.5 | 75.1 | 160.4 | -121.2 | -92.1 | 0 | 0 | 0 | 105.8 | F227 S288 G292 | F227-Y290 WeakPolarHBondContact CE2-OH 3.3Å; F227-Y290 HydrophobicContact CZ-CE2 4.34Å; S288-Y290 VanDerWaalsContact C-N 3.3Å; S288-Y290 PolarHBondContact O-N 3.11Å; Y290-G292 PolarHBondContact O-N 3.48Å |
| 291 | A | 40.4 | Very low | 40.9 | Very low | 91 Ų | 91 | 145.8 Ų | 145.8 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | trans | -63.5 | 72.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | E289 | E289-A291 PolarHBondContact O-N 3.1Š|
| 292 | G | 36.9 | Very low | 41.9 | Very low | 46 Ų | 46 | 146.5 Ų | 146.5 | 47% | 0.474 | 76% | 0.757 | S | S | . | * | | | trans | -115.6 | 7.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y290 H294 | Y290-G292 PolarHBondContact O-N 3.48Å; G292-H294 PolarHBondContact O-N 3.11Å |
| 293 | Y | 40.9 | Very low | 43.2 | Very low | 229 Ų | 229 | 141.1 Ų | 141.1 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | | | trans | -69.2 | 71.5 | 162 | -69 | -82.6 | 0 | 0 | 0 | 108.5 | Q295 | Y293-Q295 PolarHBondContact O-N 3.34Š|
| 294 | H | 38.6 | Very low | 44.3 | Very low | 140 Ų | 140 | 142 Ų | 142 | 65% | 0.648 | 74% | 0.744 | S | S | * | * | | | trans | -64.1 | 100.4 | 154.3 | -78.8 | -69.7 | 0 | 0 | 0 | 106.4 | G292 G296 G297 | G292-H294 PolarHBondContact O-N 3.11Å; H294-G296 PolarHBondContact O-N 3.16Å; H294-G297 PolarHBondContact O-N 3.36Å |
| 295 | Q | 44.9 | Very low | 44.4 | Very low | 203 Ų | 203 | 145.3 Ų | 145.3 | 95% | 0.949 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -14.9 | 94 | 151 | -161.2 | 166.8 | 18.8 | 0 | 0 | 111.3 | Y293 | Y293-Q295 PolarHBondContact O-N 3.34Š|
| 296 | G | 48.4 | Very low | 44.6 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.8 | 3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | H294 | H294-G296 PolarHBondContact O-N 3.16Š|
| 297 | G | 40 | Very low | 45 | Very low | 58 Ų | 58 | 141.5 Ų | 141.5 | 60% | 0.598 | 74% | 0.739 | S | S | * | * | | | trans | -98.2 | 115.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H294 | H294-G297 PolarHBondContact O-N 3.36Š|
| 298 | I | 53.6 | Low | 44.9 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 135.6 | 172.2 | -61.2 | 162.9 | 0 | 0 | 0 | 109.6 | Y300 | I298-Y300 PolarHBondContact O-N 3.38Š|
| 299 | P | 57.4 | Low | 44.8 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 127.2 | 177.4 | 22 | -32.8 | 0 | 0 | 0 | 110.2 | | |
| 300 | Y | 43.4 | Very low | 44.6 | Very low | 225 Ų | 225 | 131.5 Ų | 131.5 | 88% | 0.882 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 127.5 | 167.9 | -86.8 | -89.7 | 0 | 0 | 0 | 108.5 | I298 | I298-Y300 PolarHBondContact O-N 3.38Š|
| 301 | P | 52.8 | Low | 44.5 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 57% | 0.571 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 144.6 | 173.4 | 25.9 | -31.9 | 0 | 0 | 0 | 109.3 | | |
| 302 | P | 52.4 | Low | 44.1 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 49% | 0.487 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 150.8 | -176.6 | 21.8 | -31.9 | 0 | 0 | 0 | 111.7 | H304 W305 | P302-H304 PolarHBondContact O-N 3.23Å; P302-W305 PolarHBondContact O-N 3.21Å |
| 303 | P | 60 | Low | 43.9 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -59.2 | -11.7 | -165.2 | -25.1 | 33.3 | 0 | 0 | 0 | 117.1 | | |
| 304 | H | 55.8 | Low | 43.6 | Very low | 121 Ų | 121 | 134 Ų | 134 | 56% | 0.56 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -86.7 | -2.5 | -175.9 | 71.2 | -85.4 | 0 | 0 | 0 | 114.3 | P302 N306 | P302-H304 PolarHBondContact O-N 3.23Å; H304-N306 VanDerWaalsContact C-N 3.33Å |
| 305 | W | 41.5 | Very low | 43.4 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 75% | 0.746 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -87.1 | 4.3 | 176.6 | -85.3 | 27.4 | 0 | 0 | 0 | 114.8 | P302 H307 | P302-W305 PolarHBondContact O-N 3.21Å; W305-H307 VanDerWaalsContact C-N 3.33Å; W305-H307 PolarHBondContact O-N 3.11Å |
| 306 | N | 42 | Very low | 42.8 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | trans | -88 | 68.4 | 168 | -86.3 | -20.1 | 0 | 0 | 0 | 111.5 | H304 | H304-N306 VanDerWaalsContact C-N 3.33Š|
| 307 | H | 42.4 | Very low | 41.8 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | -115.6 | 62.1 | 160.8 | -69.1 | -53.3 | 0 | 0 | 0 | 109.9 | W305 | W305-H307 VanDerWaalsContact C-N 3.33Å; W305-H307 PolarHBondContact O-N 3.11Å |
| 308 | G | 36.7 | Very low | 41.5 | Very low | 74 Ų | 74 | 143.7 Ų | 143.7 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | trans | -120.2 | 64 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 309 | T | 39 | Very low | 40.6 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | | | trans | -139.1 | 108.8 | 162 | 29 | 0 | 0 | 0 | 0 | 109.7 | Y311 | T309-Y311 PolarHBondContact O-N 3.26Š|
| 310 | S | 32.5 | Very low | 39.6 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | -52.8 | 118.1 | 171.5 | -47.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 311 | Y | 34.7 | Very low | 38.9 | Very low | 227 Ų | 227 | 132.6 Ų | 132.6 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | | | trans | -110.4 | 96 | 158.5 | -88.4 | -85.1 | 0 | 0 | 0 | 108.6 | T309 G313 | T309-Y311 PolarHBondContact O-N 3.26Å; Y311-G313 PolarHBondContact O-N 2.89Å; Y311-G313 VanDerWaalsContact O-N 3.16Å |
| 312 | S | 32.3 | Very low | 38 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | | | trans | -74.3 | 90.2 | 161.9 | 51.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 313 | G | 32.4 | Very low | 37.1 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | -109.2 | 104.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y311 | Y311-G313 PolarHBondContact O-N 2.89Å; Y311-G313 VanDerWaalsContact O-N 3.16Å |
| 314 | Q | 34.4 | Very low | 35.8 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | -63.9 | 143.2 | 173.5 | -72.9 | -179.8 | -46.5 | 0 | 0 | 112.1 | | |
| 315 | R | 34.3 | Very low | 34.9 | Very low | 218 Ų | 218 | 136.4 Ų | 136.4 | 82% | 0.823 | 75% | 0.754 | S | S | * | * | | | trans | 52 | 123 | 140.8 | -61 | 174.4 | 175.6 | -122.8 | 0.2 | 116.1 | | |
| 316 | S | 32.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | | -168.2 | 139 | 63.6 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 317 | R | 26.7 | Very low | 34.4 | Very low | 252 Ų | 252 | 130.1 Ų | 130.1 | 95% | 0.951 | 75% | 0.751 | S | S | * | * | | | trans | -82.5 | 148.6 | 171.7 | -73.6 | 167.9 | 146.7 | -177.2 | -8.6 | 110.7 | | |
| 318 | S | 33.5 | Very low | 34.2 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | -144.1 | 110.8 | 145.9 | 38.2 | 0 | 0 | 0 | 0 | 105 | | |
| 319 | S | 34.9 | Very low | 34.3 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | | 56.1 | 123.3 | 80.4 | 79.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 320 | S | 36.7 | Very low | 34 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | | | cis | 172.3 | 160.2 | 36 | -158.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 321 | T | 29.8 | Very low | 34.3 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 45% | 0.454 | 75% | 0.754 | S | S | . | * | | | trans | 65.7 | 145.5 | 141.4 | 54.6 | 0 | 0 | 0 | 0 | 117 | K68 | K68-T321 VanDerWaalsContact CE-OG1 3.26Å; K68-T321 WeakPolarHBondContact CE-OG1 3.37Å; K68-T321 PolarHBondContact NZ-OG1 3.04Å; K68-T321 VanDerWaalsContact NZ-OG1 3.16Å |
| 322 | D | 32.3 | Very low | 34.3 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | | | cis | -167.7 | 170.3 | -7.1 | -80.6 | -35.6 | 0 | 0 | 0 | 99.4 | | |
| 323 | V | 34.9 | Very low | 34.5 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | | | cis | 179.9 | 147.7 | 41.6 | -154.7 | 0 | 0 | 0 | 0 | 103.3 | | |
| 324 | T | 33.1 | Very low | 34.6 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | | | trans | 62.4 | 143 | 141.4 | 49.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 325 | D | 35.6 | Very low | 35.1 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | cis | -179.1 | 160.5 | -13.5 | -144.3 | -43.9 | 0 | 0 | 0 | 104.9 | | |
| 326 | S | 32.6 | Very low | 35.1 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | 72.5 | 94.5 | 144 | -62.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 327 | S | 40.7 | Very low | 35.3 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | | -168 | 85.8 | 119.9 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 328 | S | 37.3 | Very low | 35.8 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | | 65.9 | 99.3 | 97.4 | 68.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 329 | R | 39.5 | Very low | 36 | Very low | 249 Ų | 249 | 136.6 Ų | 136.6 | 94% | 0.94 | 74% | 0.741 | S | S | * | * | | | | -165.5 | 119.3 | 125.9 | -130.1 | 166.6 | 173.6 | 172.7 | -4.7 | 113.1 | | |
| 330 | S | 33 | Very low | 36.1 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | trans | -58.3 | 140.7 | 164.8 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 331 | Y | 38.2 | Very low | 36 | Very low | 220 Ų | 220 | 142.6 Ų | 142.6 | 86% | 0.863 | 76% | 0.755 | S | S | * | * | | | | -170.4 | 129.1 | 113.8 | -132.4 | -106.3 | 0 | 0 | 0 | 110.2 | | |
| 332 | E | 34.5 | Very low | 36.3 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | -77.8 | 175.2 | 166.8 | -76.3 | 169 | 127.4 | 0 | 0 | 111.2 | | |
| 333 | E | 37.9 | Very low | 36.6 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | 76.9 | 110.4 | 169.2 | -75.1 | 177.8 | 150.4 | 0 | 0 | 117 | | |
| 334 | Q | 33.9 | Very low | 36.6 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | | 54.4 | 90.8 | 54.8 | -64.6 | -168.8 | -27.5 | 0 | 0 | 114.7 | | |
| 335 | S | 45.1 | Very low | 37 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -149 | 98 | 145.4 | 32.4 | 0 | 0 | 0 | 0 | 105.4 | | |
| 336 | D | 34 | Very low | 37.4 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | | 45.2 | 115.2 | 96 | -88.5 | -20.4 | 0 | 0 | 0 | 114.3 | | |
| 337 | A | 37.5 | Very low | 37.6 | Very low | 81 Ų | 81 | 147 Ų | 147 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | | | | 84.8 | 105 | 129.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 338 | M | 36.9 | Very low | 37.3 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 67% | 0.665 | 80% | 0.801 | S | S | * | * | | | | 86.3 | 139.1 | 117.6 | -57.7 | -78.8 | -78.1 | 0 | 0 | 120 | | |
| 339 | Y | 38.5 | Very low | 37.4 | Very low | 204 Ų | 204 | 152.8 Ų | 152.8 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | | | trans | 90.5 | 87.1 | 154.8 | -54.6 | -70.1 | 0 | 0 | 0 | 117.7 | | |
| 340 | S | 35.5 | Very low | 37.5 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -129.4 | 105.9 | 136 | -125 | 0 | 0 | 0 | 0 | 108.5 | | |
| 341 | Y | 34.9 | Very low | 37.7 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | -149.4 | 148.1 | 160.2 | -117.3 | -84.8 | 0 | 0 | 0 | 110 | E102 | E102-Y341 PolarHBondContact OE1-OH 3.02Š|
| 342 | S | 37.6 | Very low | 37.5 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | 86.4 | 79 | 161.2 | -48.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 343 | A | 37.1 | Very low | 37.5 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | | | trans | -83.1 | 139.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 344 | A | 35 | Very low | 37.3 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -87.3 | 145.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 345 | S | 43 | Very low | 37.4 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -42.8 | 135.7 | 171.7 | -44.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 346 | P | 42 | Very low | 37.2 | Very low | 106 Ų | 106 | 141 Ų | 141 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | | | | -158 | 157.8 | 80.6 | 37.4 | -17.7 | 0 | 0 | 0 | 115.1 | | |
| 347 | Y | 37.7 | Very low | 37.3 | Very low | 225 Ų | 225 | 140.4 Ų | 140.4 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | | | trans | 174.3 | 87 | 137.3 | -96.3 | -70.6 | 0 | 0 | 0 | 108.3 | | |
| 348 | Q | 35.1 | Very low | 37.1 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | trans | -78.6 | 124.2 | 156.1 | -75.8 | -172 | -27.5 | 0 | 0 | 106.4 | | |
| 349 | D | 38 | Very low | 38 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -170.7 | 141.4 | 141.2 | -102.3 | -23.4 | 0 | 0 | 0 | 112.6 | | |
| 350 | K | 43.1 | Very low | 38 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | trans | 91.8 | 74 | 158.6 | -38.7 | -157.5 | -176 | -177.8 | 0 | 117.7 | | |
| 351 | Q | 35.9 | Very low | 38.2 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | | | trans | -95 | 103.1 | 136.5 | -68.2 | -160.8 | -38.9 | 0 | 0 | 109.1 | E110 | E110-Q351 VanDerWaalsContact CG-NE2 3.34Å; E110-Q351 PolarHBondContact OE2-NE2 3.02Å; E110-Q351 PolarHBondContact OE2-OE1 3.27Å |
| 352 | T | 34.3 | Very low | 38.1 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | trans | -122.3 | 148.4 | 162.1 | -34.2 | 0 | 0 | 0 | 0 | 105.6 | | |
| 353 | E | 34 | Very low | 38.1 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | 96 | 130.9 | 178.4 | -58.6 | -160.2 | 121.7 | 0 | 0 | 114.1 | | |
| 354 | F | 33.8 | Very low | 38 | Very low | 154 Ų | 154 | 144 Ų | 144 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | | | cis | -160.9 | 143.4 | 6.9 | -142.5 | -116 | 0 | 0 | 0 | 107 | P356 | F354-P356 HydrophobicContact CD1-CB 4.15Å; F354-P356 HydrophobicContact CD1-CG 4.31Å; F354-P356 WeakPolarHBondContact O-CD 3.41Å |
| 355 | V | 36 | Very low | 38.2 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | | | trans | -94.9 | 111.4 | 155.5 | 173.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 356 | P | 42.1 | Very low | 37.9 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | trans | -104.7 | 111.7 | 159.8 | 29.9 | -18.4 | 0 | 0 | 0 | 110.2 | F354 | F354-P356 HydrophobicContact CD1-CB 4.15Å; F354-P356 HydrophobicContact CD1-CG 4.31Å; F354-P356 WeakPolarHBondContact O-CD 3.41Å |
| 357 | N | 36.5 | Very low | 37.6 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | trans | -49.3 | 128.6 | 165.8 | -64.6 | -67.2 | 0 | 0 | 0 | 112.1 | | |
| 358 | N | 32.6 | Very low | 37.8 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | -126.2 | 106.9 | 152.6 | -150.5 | 0.1 | 0 | 0 | 0 | 109.9 | L360 | N358-L360 PolarHBondContact O-N 2.99Å; N358-L360 VanDerWaalsContact O-N 3.14Å |
| 359 | P | 55.5 | Low | 37.9 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | | | trans | -88.9 | 53.3 | -164.5 | 35.4 | -36.9 | 0 | 0 | 0 | 114.8 | | |
| 360 | L | 38.9 | Very low | 37.9 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | -103.6 | 5.8 | 175.2 | -77.3 | 167 | 0 | 0 | 0 | 115.2 | N358 S362 | N358-L360 PolarHBondContact O-N 2.99Å; N358-L360 VanDerWaalsContact O-N 3.14Å; L360-S362 PolarHBondContact O-N 3.36Å |
| 361 | D | 38.5 | Very low | 37.8 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 91% | 0.914 | 77% | 0.765 | S | S | * | * | | | trans | -75 | 26.5 | 167.3 | -94.9 | -22.4 | 0 | 0 | 0 | 113.9 | | |
| 362 | S | 34.6 | Very low | 37.9 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | -121.9 | 58.9 | -176.3 | -52.9 | 0 | 0 | 0 | 0 | 113.1 | L360 | L360-S362 PolarHBondContact O-N 3.36Š|
| 363 | R | 36 | Very low | 37.4 | Very low | 237 Ų | 237 | 137.7 Ų | 137.7 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | | | trans | -152.2 | 120.5 | 149.9 | -136.9 | 173.9 | -174.3 | -156.6 | 0.9 | 112.9 | | |
| 364 | P | 36.2 | Very low | 37.6 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 126.5 | -173.8 | 30.3 | -33.4 | 0 | 0 | 0 | 111.5 | | |
| 365 | T | 37.4 | Very low | 37.8 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 137.3 | 155.1 | 38.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 366 | P | 37.7 | Very low | 38 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 143.6 | -159.4 | 25.2 | -34.3 | 0 | 0 | 0 | 113.5 | V368 | P366-V368 PolarHBondContact O-N 3.39Š|
| 367 | A | 36.8 | Very low | 37.8 | Very low | 102 Ų | 102 | 137 Ų | 137 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -51.4 | 111.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S369 | A367-S369 PolarHBondContact O-N 3.12Å; A367-S369 VanDerWaalsContact O-N 3.13Å |
| 368 | V | 40.1 | Very low | 38.1 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -67.2 | 111.2 | 166.1 | -178.1 | 0 | 0 | 0 | 0 | 106.3 | P366 T370 | P366-V368 PolarHBondContact O-N 3.39Å; V368-T370 PolarHBondContact O-N 3.08Å; V368-T370 VanDerWaalsContact O-N 3.13Å |
| 369 | S | 37.9 | Very low | 38.6 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -57 | 116.3 | 175.3 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | A367 S371 | A367-S369 PolarHBondContact O-N 3.12Å; A367-S369 VanDerWaalsContact O-N 3.13Å; S369-S371 VanDerWaalsContact C-N 3.33Å; S369-S371 PolarHBondContact O-N 3.09Å |
| 370 | T | 37.1 | Very low | 37.8 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -66.7 | 91.1 | 169.8 | 45.5 | 0 | 0 | 0 | 0 | 109 | V368 | V368-T370 PolarHBondContact O-N 3.08Å; V368-T370 VanDerWaalsContact O-N 3.13Å |
| 371 | S | 42 | Very low | 37.8 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -73.9 | 125.8 | 162.6 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | S369 | S369-S371 VanDerWaalsContact C-N 3.33Å; S369-S371 PolarHBondContact O-N 3.09Å |
| 372 | N | 37.2 | Very low | 38.5 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | -58.6 | 132.4 | -173.8 | -66.7 | -52.8 | 0 | 0 | 0 | 114.1 | | |
| 373 | Y | 25.4 | Very low | 39.2 | Very low | 203 Ų | 203 | 136.1 Ų | 136.1 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | 13.7 | 143.6 | 148.2 | -74.5 | -86.8 | 0 | 0 | 0 | 120.6 | V375 | Y373-V375 HydrophobicContact CD1-CG2 4.08Å; Y373-V375 HydrophobicContact CE1-CG2 3.9Å |
| 374 | P | 36.8 | Very low | 39.7 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | cis | -130.9 | 140.6 | 40.9 | 35.4 | -17.7 | 0 | 0 | 0 | 116.2 | R376 | P374-R376 PolarHBondContact O-N 3.22Å; P374-R376 VanDerWaalsContact O-N 3.15Å |
| 375 | V | 37.7 | Very low | 40.1 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | | | trans | -66 | 103.4 | 168.4 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | Y373 | Y373-V375 HydrophobicContact CD1-CG2 4.08Å; Y373-V375 HydrophobicContact CE1-CG2 3.9Å |
| 376 | R | 42 | Very low | 40.6 | Very low | 224 Ų | 224 | 138.4 Ų | 138.4 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -90.5 | 103.3 | 155.2 | -88 | -172.4 | 178.9 | -155.5 | 0.4 | 107.3 | P374 D378 | P374-R376 PolarHBondContact O-N 3.22Å; P374-R376 VanDerWaalsContact O-N 3.15Å; R376-D378 PolarHBondContact O-N 3.15Å |
| 377 | G | 37.6 | Very low | 41.3 | Very low | 66 Ų | 66 | 137.5 Ų | 137.5 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | | | trans | -73.3 | 99.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 378 | D | 43.2 | Very low | 41.9 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -123.3 | 109.3 | 159.8 | -73.6 | -45.7 | 0 | 0 | 0 | 107.9 | R376 Y380 | R376-D378 PolarHBondContact O-N 3.15Å; D378-Y380 PolarHBondContact O-N 3.41Å |
| 379 | S | 41.9 | Very low | 42.3 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -62.8 | 111.8 | -177.9 | 29 | 0 | 0 | 0 | 0 | 111.6 | S381 | S379-S381 PolarHBondContact O-N 3.35Å; S379-S381 VanDerWaalsContact O-N 3.13Å |
| 380 | Y | 39.8 | Very low | 43.2 | Very low | 232 Ų | 232 | 143.9 Ų | 143.9 | 91% | 0.91 | 78% | 0.782 | S | S | * | * | | | trans | -76.6 | 94.8 | 172.7 | -140.5 | -94.2 | 0 | 0 | 0 | 109.4 | D378 P382 | D378-Y380 PolarHBondContact O-N 3.41Å; Y380-P382 WeakPolarHBondContact O-CD 2.99Å |
| 381 | S | 38.7 | Very low | 44 | Very low | 83 Ų | 83 | 143.7 Ų | 143.7 | 58% | 0.58 | 78% | 0.783 | S | S | * | * | | | trans | -82.1 | 119.7 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | S379 S383 | S379-S381 PolarHBondContact O-N 3.35Å; S379-S381 VanDerWaalsContact O-N 3.13Å; S381-S383 PolarHBondContact O-N 3.4Å; S381-S383 VanDerWaalsContact O-N 3.1Å; S381-S383 PolarHBondContact OG-OG 3.49Å |
| 382 | P | 53.3 | Low | 44.8 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -80.1 | 18.3 | -175.9 | 31.5 | -33.3 | 0 | 0 | 0 | 114.5 | Y380 K384 | Y380-P382 WeakPolarHBondContact O-CD 2.99Å; P382-K384 PolarHBondContact O-N 3.31Å; P382-K384 VanDerWaalsContact O-N 3.07Å |
| 383 | S | 48.3 | Very low | 46.1 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 9.2 | -174 | 55.4 | 0 | 0 | 0 | 0 | 116 | S381 | S381-S383 PolarHBondContact O-N 3.4Å; S381-S383 VanDerWaalsContact O-N 3.1Å; S381-S383 PolarHBondContact OG-OG 3.49Å |
| 384 | K | 46 | Very low | 47.7 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 33.9 | -176.7 | -64.9 | -167.5 | -178.5 | -177.4 | 0 | 115.4 | P382 | P382-K384 PolarHBondContact O-N 3.31Å; P382-K384 VanDerWaalsContact O-N 3.07Å |
| 385 | R | 45.9 | Very low | 48.8 | Very low | 231 Ų | 231 | 142.8 Ų | 142.8 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -95.7 | 121.7 | 160.9 | -75.6 | -170.9 | 175.5 | -141.2 | 0.4 | 109.7 | A387 | R385-A387 PolarHBondContact O-N 3.41Š|
| 386 | P | 46.6 | Very low | 49.8 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 121.9 | 177.8 | 25.2 | -31 | 0 | 0 | 0 | 109.6 | F388 | P386-F388 PolarHBondContact O-N 3.43Š|
| 387 | A | 54 | Low | 50.4 | Low | 95 Ų | 95 | 141.1 Ų | 141.1 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 119 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | R385 Q389 | R385-A387 PolarHBondContact O-N 3.41Å; A387-Q389 PolarHBondContact O-N 2.87Å; A387-Q389 VanDerWaalsContact O-N 3.13Å |
| 388 | F | 48.7 | Very low | 51.2 | Low | 208 Ų | 208 | 141.2 Ų | 141.2 | 91% | 0.912 | 77% | 0.768 | S | S | * | * | | | trans | -63 | 111.2 | 163.5 | -92.2 | -93 | 0 | 0 | 0 | 108.1 | P386 A390 | P386-F388 PolarHBondContact O-N 3.43Å; F388-A390 PolarHBondContact O-N 3Å |
| 389 | Q | 48.7 | Very low | 51.4 | Low | 189 Ų | 189 | 142.1 Ų | 142.1 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -79.8 | 98.2 | -175.7 | -166.8 | 163.3 | 5.5 | 0 | 0 | 109.6 | A387 | A387-Q389 PolarHBondContact O-N 2.87Å; A387-Q389 VanDerWaalsContact O-N 3.13Å |
| 390 | A | 56.6 | Low | 51.7 | Low | 79 Ų | 79 | 142.5 Ų | 142.5 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | | | trans | -70.9 | 137.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F388 L392 | F388-A390 PolarHBondContact O-N 3Å; A390-L392 PolarHBondContact O-N 3.22Å |
| 391 | P | 52.9 | Low | 51.9 | Low | 126 Ų | 126 | 142.8 Ų | 142.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -65.5 | 123.9 | 177.6 | 24.4 | -30.9 | 0 | 0 | 0 | 110.7 | L393 | P391-L393 PolarHBondContact O-N 2.89Š|
| 392 | L | 60.4 | Low | 52 | Low | 173 Ų | 173 | 141.7 Ų | 141.7 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | | | trans | -66 | 116 | 179.7 | -70.1 | 162.5 | 0 | 0 | 0 | 110.4 | A390 | A390-L392 PolarHBondContact O-N 3.22Š|
| 393 | L | 64.6 | Low | 51.6 | Low | 159 Ų | 159 | 144.3 Ų | 144.3 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | -59.6 | 140.9 | 168.2 | -70.1 | 167.5 | 0 | 0 | 0 | 109.8 | P391 N395 | P391-L393 PolarHBondContact O-N 2.89Å; L393-N395 PolarHBondContact O-N 3.38Å |
| 394 | P | 58.5 | Low | 51.5 | Low | 120 Ų | 120 | 147.8 Ų | 147.8 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -62.9 | 112.4 | 177.6 | 23.5 | -30.3 | 0 | 0 | 0 | 109.6 | P396 | P394-P396 WeakPolarHBondContact O-CD 3.17Š|
| 395 | N | 59.6 | Low | 51.3 | Low | 103 Ų | 103 | 149.3 Ų | 149.3 | 55% | 0.551 | 78% | 0.779 | S | S | * | * | | | trans | -64.3 | 121.9 | 177.9 | -170.9 | -12 | 0 | 0 | 0 | 109.2 | L393 Y397 S398 | L393-N395 PolarHBondContact O-N 3.38Å; N395-Y397 PolarHBondContact O-N 3.47Å; N395-Y397 VanDerWaalsContact O-N 3.08Å; N395-Y397 PolarHBondContact OD1-N 3.37Å; N395-S398 WeakPolarHBondContact O-CB 3.26Å; N395-S398 PolarHBondContact O-N 3.13Å |
| 396 | P | 58.7 | Low | 51.2 | Low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -16.6 | -177.1 | 23.8 | -34.4 | 0 | 0 | 0 | 113.8 | P394 | P394-P396 WeakPolarHBondContact O-CD 3.17Š|
| 397 | Y | 55.2 | Low | 50.9 | Low | 199 Ų | 199 | 148.6 Ų | 148.6 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 4.6 | 175.8 | -55.2 | -74.3 | 0 | 0 | 0 | 113.4 | N395 N399 | N395-Y397 PolarHBondContact O-N 3.47Å; N395-Y397 VanDerWaalsContact O-N 3.08Å; N395-Y397 PolarHBondContact OD1-N 3.37Å; Y397-N399 PolarHBondContact O-N 3.46Å |
| 398 | S | 54.4 | Low | 50.3 | Low | 68 Ų | 68 | 153.9 Ų | 153.9 | 48% | 0.476 | 78% | 0.781 | S | S | . | * | | | trans | -71.5 | 108.7 | 172.6 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | N395 N400 | N395-S398 WeakPolarHBondContact O-CB 3.26Å; N395-S398 PolarHBondContact O-N 3.13Å; S398-N400 PolarHBondContact O-N 2.71Å |
| 399 | N | 47.1 | Very low | 49.9 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | -64.6 | 39.6 | 177.1 | -95.9 | -29.5 | 0 | 0 | 0 | 114.6 | Y397 R401 | Y397-N399 PolarHBondContact O-N 3.46Å; N399-R401 PolarHBondContact O-N 2.78Å |
| 400 | N | 46.9 | Very low | 49.7 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -87.1 | 42.1 | 170.8 | -80.6 | -24.4 | 0 | 0 | 0 | 112.3 | S398 G402 | S398-N400 PolarHBondContact O-N 2.71Å; N400-G402 PolarHBondContact O-N 3.36Å |
| 401 | R | 45.3 | Very low | 48.8 | Very low | 238 Ų | 238 | 158.4 Ų | 158.4 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 28.2 | 167.9 | -150.1 | -176.3 | -159.2 | -172.8 | 6.4 | 112.8 | N399 | N399-R401 PolarHBondContact O-N 2.78Š|
| 402 | G | 41.1 | Very low | 48.5 | Very low | 59 Ų | 59 | 158.2 Ų | 158.2 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -10.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N400 L404 | N400-G402 PolarHBondContact O-N 3.36Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 3.37Å |
| 403 | Q | 43.7 | Very low | 47.8 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -88.9 | 11.6 | -176.8 | -71 | -70.7 | -4.4 | 0 | 0 | 114.5 | R405 | Q403-R405 PolarHBondContact O-N 3.31Š|
| 404 | L | 47.2 | Very low | 46.5 | Very low | 171 Ų | 171 | 152.6 Ų | 152.6 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | | | trans | -90.9 | 57.3 | 158.1 | -65.3 | 178.4 | 0 | 0 | 0 | 109.5 | G402 A406 | G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 3.37Å; L404-A406 PolarHBondContact O-N 3.29Å |
| 405 | R | 40.6 | Very low | 45.4 | Very low | 223 Ų | 223 | 156.6 Ų | 156.6 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | trans | -77.3 | 110.3 | 167.8 | -149.3 | 175.8 | -173.1 | -177.6 | 2 | 107.5 | Q403 R407 | Q403-R405 PolarHBondContact O-N 3.31Å; R405-R407 PolarHBondContact O-N 3.16Å; R405-R407 VanDerWaalsContact O-N 3.08Å |
| 406 | A | 44.2 | Very low | 44.1 | Very low | 98 Ų | 98 | 159 Ų | 159 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | -41.3 | 108.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L404 | L404-A406 PolarHBondContact O-N 3.29Š|
| 407 | R | 40.5 | Very low | 43.6 | Very low | 236 Ų | 236 | 158.1 Ų | 158.1 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | trans | -84 | 99.5 | 151.2 | -84.3 | -178.7 | 160 | -164.1 | -3.5 | 106.7 | R405 | R405-R407 PolarHBondContact O-N 3.16Å; R405-R407 VanDerWaalsContact O-N 3.08Å |
| 408 | R | 42.3 | Very low | 43.4 | Very low | 205 Ų | 205 | 160.1 Ų | 160.1 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | | | trans | 177.7 | 119.1 | 135.8 | -97.1 | 156.3 | -173.9 | -128.3 | 1 | 111.7 | | |
| 409 | R | 40.1 | Very low | 42.8 | Very low | 208 Ų | 208 | 164.7 Ų | 164.7 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | 68.8 | 103.6 | 139.6 | -59.7 | 173.2 | 173.5 | -164.7 | -4 | 115.5 | | |
| 410 | S | 44.2 | Very low | 42.6 | Very low | 123 Ų | 123 | 165.1 Ų | 165.1 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | | -175.4 | 132.8 | 106.9 | 29.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 411 | R | 38 | Very low | 42.4 | Very low | 240 Ų | 240 | 166.9 Ų | 166.9 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | | | trans | -59 | 158.7 | 171.8 | -110.5 | 173.6 | 151.5 | -176.9 | -6.8 | 110.6 | | |
| 412 | P | 46.5 | Very low | 42.2 | Very low | 122 Ų | 122 | 162.7 Ų | 162.7 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | | | trans | -78.8 | 139 | -173.7 | 32.9 | -31.1 | 0 | 0 | 0 | 111.2 | | |
| 413 | S | 44.7 | Very low | 42.3 | Very low | 110 Ų | 110 | 169.2 Ų | 169.2 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | | | trans | -101.6 | 108.5 | 162.8 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 414 | T | 38 | Very low | 42.2 | Very low | 105 Ų | 105 | 168.9 Ų | 168.9 | 64% | 0.644 | 83% | 0.828 | S | S | * | * | | | trans | 1.8 | 135.6 | 131.6 | 31.3 | 0 | 0 | 0 | 0 | 119 | | |
| 415 | Y | 35.4 | Very low | 41.8 | Very low | 204 Ų | 204 | 168.7 Ų | 168.7 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | | | trans | 54.7 | 145.9 | 131.9 | -81.9 | -115.3 | 0 | 0 | 0 | 118.6 | | |
| 416 | H | 32.6 | Very low | 41.9 | Very low | 154 Ų | 154 | 164.5 Ų | 164.5 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | | | cis | -170.7 | 174 | -12.7 | -125.4 | -89.5 | 0 | 0 | 0 | 106.4 | | |
| 417 | S | 47.5 | Very low | 41.7 | Very low | 94 Ų | 94 | 170.1 Ų | 170.1 | 66% | 0.657 | 82% | 0.823 | S | S | * | * | | | trans | -64.3 | 147.4 | -170.4 | 54.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 418 | N | 51.2 | Low | 41.9 | Very low | 240 Ų | 240 | 164.1 Ų | 164.1 | 100% | 1.283 | 82% | 0.817 | S | S | * | * | | | | -149.7 | 0 | 120 | -100 | -17.5 | 0 | 0 | 0 | 109.5 | | |