| 1 | M | 46.7 | Very low | 58.5 | Low | 248 Ų | 248 | 158.2 Ų | 158.2 | 100% | 1.222 | 81% | 0.805 | S | S | * | * | | | | 0 | 107.9 | 0 | -62.3 | -165.5 | 98.5 | 0 | 0 | 108.4 | | |
| 2 | Q | 55.8 | Low | 57.8 | Low | 194 Ų | 194 | 151.7 Ų | 151.7 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | | | trans | -97.9 | 116.9 | -171.2 | -165.4 | 172.1 | 4 | 0 | 0 | 108.5 | S4 | Q2-S4 PolarHBondContact O-N 3.4Š|
| 3 | K | 59.5 | Low | 57.3 | Low | 184 Ų | 184 | 149.9 Ų | 149.9 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -75.6 | 108.2 | 176.6 | -74.1 | 172.6 | 176.9 | 175.8 | 0 | 108.3 | F5 | K3-F5 PolarHBondContact O-N 3.27Š|
| 4 | S | 63.7 | Low | 56.7 | Low | 103 Ų | 103 | 146.6 Ų | 146.6 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -72.1 | 116.5 | 169.1 | 54.1 | 0 | 0 | 0 | 0 | 109.1 | Q2 C6 | Q2-S4 PolarHBondContact O-N 3.4Å; S4-C6 PolarHBondContact O-N 3.15Å |
| 5 | F | 60.7 | Low | 56.6 | Low | 191 Ų | 191 | 145.3 Ų | 145.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -79.8 | 107.7 | 167.5 | -71.6 | -85 | 0 | 0 | 0 | 108.1 | K3 Y7 | K3-F5 PolarHBondContact O-N 3.27Å; F5-Y7 PolarHBondContact O-N 3.37Å; F5-Y7 VanDerWaalsContact O-N 3.15Å |
| 6 | C | 60.5 | Low | 56.2 | Low | 110 Ų | 110 | 146.2 Ų | 146.2 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -69.2 | 107.7 | 172.2 | -61.3 | 0 | 0 | 0 | 0 | 108.8 | S4 I8 | S4-C6 PolarHBondContact O-N 3.15Å; C6-I8 PolarHBondContact O-N 3.37Å |
| 7 | Y | 64.3 | Low | 55.8 | Low | 204 Ų | 204 | 152.7 Ų | 152.7 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -77.1 | 111 | 169.3 | -179.5 | -99 | 0 | 0 | 0 | 108.7 | F5 P9 | F5-Y7 PolarHBondContact O-N 3.37Å; F5-Y7 VanDerWaalsContact O-N 3.15Å; Y7-P9 HydrophobicContact CE1-CB 4.1Å; Y7-P9 WeakPolarHBondContact O-CD 3.47Å |
| 8 | I | 65.4 | Low | 55.3 | Low | 136 Ų | 136 | 153.9 Ų | 153.9 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | | | trans | -94.7 | 112.5 | 172 | -56.8 | 173.3 | 0 | 0 | 0 | 106.8 | C6 I10 | C6-I8 PolarHBondContact O-N 3.37Å; I8-I10 PolarHBondContact O-N 3.41Å |
| 9 | P | 50 | Low | 54.9 | Low | 82 Ų | 82 | 158.7 Ų | 158.7 | 53% | 0.532 | 80% | 0.804 | S | S | . | * | | | trans | -69 | 116.6 | 171.9 | 27 | -30.4 | 0 | 0 | 0 | 108.7 | Y7 V11 | Y7-P9 HydrophobicContact CE1-CB 4.1Å; Y7-P9 WeakPolarHBondContact O-CD 3.47Å; P9-V11 VanDerWaalsContact C-N 3.29Å; P9-V11 PolarHBondContact O-N 3.25Å |
| 10 | I | 59.1 | Low | 54.3 | Low | 162 Ų | 162 | 154.3 Ų | 154.3 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | trans | -71.9 | 91.8 | 166.9 | -57.6 | 172.8 | 0 | 0 | 0 | 106.2 | I8 S12 | I8-I10 PolarHBondContact O-N 3.41Å; I10-S12 PolarHBondContact O-N 3.19Å; I10-S12 VanDerWaalsContact O-N 3.13Å |
| 11 | V | 57.4 | Low | 54 | Low | 126 Ų | 126 | 153 Ų | 153 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | -66.6 | 110 | 165.1 | 179.7 | 0 | 0 | 0 | 0 | 106.2 | P9 S13 | P9-V11 VanDerWaalsContact C-N 3.29Å; P9-V11 PolarHBondContact O-N 3.25Å; V11-S13 PolarHBondContact O-N 2.97Å |
| 12 | S | 50.3 | Low | 54.1 | Low | 80 Ų | 80 | 146.2 Ų | 146.2 | 56% | 0.559 | 78% | 0.778 | S | S | * | * | | | trans | -58.4 | 122.1 | 172.4 | 70 | 0 | 0 | 0 | 0 | 107.8 | I10 V14 | I10-S12 PolarHBondContact O-N 3.19Å; I10-S12 VanDerWaalsContact O-N 3.13Å; S12-V14 PolarHBondContact O-N 3.2Å |
| 13 | S | 52.2 | Low | 54 | Low | 129 Ų | 129 | 145 Ų | 145 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -70.9 | 67.6 | 171.2 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | V11 | V11-S13 PolarHBondContact O-N 2.97Š|
| 14 | V | 48.9 | Very low | 53.4 | Low | 103 Ų | 103 | 142.1 Ų | 142.1 | 62% | 0.624 | 78% | 0.776 | S | S | * | * | | | trans | -100.9 | 113.4 | 169.7 | 178.7 | 0 | 0 | 0 | 0 | 105.5 | S12 | S12-V14 PolarHBondContact O-N 3.2Š|
| 15 | T | 54.9 | Low | 53.2 | Low | 127 Ų | 127 | 141.6 Ų | 141.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | 61.2 | 83.4 | 162.2 | 59.6 | 0 | 0 | 0 | 0 | 117 | | |
| 16 | L | 49.8 | Very low | 52.9 | Low | 160 Ų | 160 | 138.4 Ų | 138.4 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -125.6 | 68.3 | 149.9 | -167.6 | 87.1 | 0 | 0 | 0 | 109.7 | | |
| 17 | W | 49.3 | Very low | 52.6 | Low | 257 Ų | 257 | 139.7 Ų | 139.7 | 97% | 0.973 | 77% | 0.769 | S | S | * | * | | | trans | -144.5 | 66.8 | 162.1 | -68.8 | 104.8 | 0 | 0 | 0 | 108.3 | | |
| 18 | E | 47.2 | Very low | 52.2 | Low | 174 Ų | 174 | 135.1 Ų | 135.1 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -146.3 | 88.5 | 169.8 | -153 | -159.6 | 152.6 | 0 | 0 | 111.3 | | |
| 19 | R | 47.9 | Very low | 51.9 | Low | 246 Ų | 246 | 139.9 Ų | 139.9 | 93% | 0.928 | 77% | 0.773 | S | S | * | * | | | | -177.3 | 117.1 | 124.4 | -105.5 | 178.4 | -83.4 | -177.7 | -7 | 110.5 | | |
| 20 | G | 42.1 | Very low | 52.1 | Low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | 173.4 | 67.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P22 | G20-P22 VanDerWaalsContact O-CD 3.28Å; G20-P22 WeakPolarHBondContact O-CD 3.27Å |
| 21 | S | 48.2 | Very low | 52.1 | Low | 128 Ų | 128 | 142.5 Ų | 142.5 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | trans | -92.5 | 111.4 | 167.3 | -64.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 22 | P | 48.3 | Very low | 52.6 | Low | 104 Ų | 104 | 142.6 Ų | 142.6 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | | | trans | -97.2 | 114.7 | 148.5 | 32.2 | -22.2 | 0 | 0 | 0 | 108 | G20 T24 | G20-P22 VanDerWaalsContact O-CD 3.28Å; G20-P22 WeakPolarHBondContact O-CD 3.27Å; P22-T24 PolarHBondContact O-N 3.13Å; P22-T24 PolarHBondContact O-OG1 3.17Å |
| 23 | N | 54.2 | Low | 53.6 | Low | 169 Ų | 169 | 144.7 Ų | 144.7 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | | | trans | -38.3 | 107.6 | 167.5 | -152.8 | -13.1 | 0 | 0 | 0 | 111.1 | | |
| 24 | T | 48 | Very low | 54.8 | Low | 123 Ų | 123 | 142.8 Ų | 142.8 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -144.1 | 127.3 | 170.9 | 18.2 | 0 | 0 | 0 | 0 | 109.7 | P22 | P22-T24 PolarHBondContact O-N 3.13Å; P22-T24 PolarHBondContact O-OG1 3.17Å |
| 25 | S | 58.8 | Low | 56.5 | Low | 92 Ų | 92 | 142.8 Ų | 142.8 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | | | trans | -29.9 | 146 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 115.3 | I27 | S25-I27 VanDerWaalsContact C-N 3.25Å; S25-I27 PolarHBondContact O-N 2.92Å |
| 26 | P | 53.5 | Low | 57.9 | Low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -66.6 | 88.6 | 168.4 | 30.1 | -32.3 | 0 | 0 | 0 | 109.1 | P28 | P26-P28 WeakPolarHBondContact O-CD 3.28Š|
| 27 | I | 53.8 | Low | 59.8 | Low | 137 Ų | 137 | 136.2 Ų | 136.2 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | | | trans | -56.8 | 120.8 | 164.3 | -62 | 170.9 | 0 | 0 | 0 | 105.8 | S25 R29 | S25-I27 VanDerWaalsContact C-N 3.25Å; S25-I27 PolarHBondContact O-N 2.92Å; I27-R29 PolarHBondContact O-N 3.42Å |
| 28 | P | 57.7 | Low | 61.6 | Low | 107 Ų | 107 | 128.5 Ų | 128.5 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | | | trans | -56.6 | 113 | 172 | -18.5 | 29.6 | 0 | 0 | 0 | 106.5 | P26 C30 | P26-P28 WeakPolarHBondContact O-CD 3.28Å; P28-C30 PolarHBondContact O-N 3.25Å |
| 29 | R | 57.9 | Low | 63.7 | Low | 236 Ų | 236 | 130.3 Ų | 130.3 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | | | trans | -67.2 | 89.4 | 169.4 | -65.8 | -160.3 | -164.2 | -159.8 | 6.7 | 105.9 | I27 K31 | I27-R29 PolarHBondContact O-N 3.42Å; R29-K31 PolarHBondContact O-N 2.74Å |
| 30 | C | 55.2 | Low | 65.7 | Low | 105 Ų | 105 | 123.9 Ų | 123.9 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | | | trans | -52.3 | 110 | 164.6 | -73.1 | 0 | 0 | 0 | 0 | 105.4 | P28 T32 | P28-C30 PolarHBondContact O-N 3.25Å; C30-T32 PolarHBondContact O-N 2.74Å |
| 31 | K | 59.5 | Low | 68 | Low | 194 Ų | 194 | 124.7 Ų | 124.7 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | | | trans | -63.4 | 93.3 | 166.6 | -74.4 | 177.2 | 178.3 | 173.5 | 0 | 104.6 | R29 T33 | R29-K31 PolarHBondContact O-N 2.74Å; K31-T33 PolarHBondContact O-N 3.15Å |
| 32 | T | 66.8 | Low | 69.9 | Low | 128 Ų | 128 | 122.3 Ų | 122.3 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | | | trans | -68.8 | 84.9 | 170.7 | -55 | 0 | 0 | 0 | 0 | 106 | C30 A34 | C30-T32 PolarHBondContact O-N 2.74Å; T32-A34 PolarHBondContact O-N 2.91Å |
| 33 | T | 70.6 | Confident | 71.9 | Confident | 125 Ų | 125 | 122.7 Ų | 122.7 | 77% | 0.767 | 68% | 0.683 | S | S | * | * | | | trans | -63.2 | 107.7 | 167.1 | -46.5 | 0 | 0 | 0 | 0 | 105.1 | K31 S35 | K31-T33 PolarHBondContact O-N 3.15Å; T33-S35 PolarHBondContact O-N 2.97Å |
| 34 | A | 77.3 | Confident | 73.5 | Confident | 88 Ų | 88 | 117.7 Ų | 117.7 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | | | trans | -58.4 | 112.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | T32 | T32-A34 PolarHBondContact O-N 2.91Š|
| 35 | S | 84.4 | Confident | 75.2 | Confident | 104 Ų | 104 | 118.1 Ų | 118.1 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 137.3 | 174.7 | 57.3 | 0 | 0 | 0 | 0 | 108.5 | T33 | T33-S35 PolarHBondContact O-N 2.97Š|
| 36 | P | 84.6 | Confident | 76.2 | Confident | 69 Ų | 69 | 117.7 Ų | 117.7 | 45% | 0.448 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 145.9 | 173.6 | 24.6 | -32.4 | 0 | 0 | 0 | 110.3 | F40 L41 | P36-F40 HydrophobicContact CB-CB 4.27Å; P36-F40 HydrophobicContact CB-CD1 3.5Å; P36-F40 HydrophobicContact CB-CE1 4.17Å; P36-F40 HydrophobicContact CB-CG 4.14Å; P36-F40 HydrophobicContact CG-CD1 4.34Å; P36-L41 HydrophobicContact CG-CD2 3.93Å; P36-L41 HydrophobicContact CG-CG 4.28Å |
| 37 | C | 89.7 | Confident | 77.3 | Confident | 80 Ų | 80 | 118 Ų | 118 | 54% | 0.541 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 155.3 | 176.4 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | R39 F40 L41 | C37-R39 PolarHBondContact O-N 2.86Å; C37-R39 VanDerWaalsContact O-N 3.16Å; C37-F40 WeakPolarHBondContact O-CB 3.34Å; C37-F40 PolarHBondContact O-N 3.07Å; C37-L41 PolarHBondContact O-N 3.47Å |
| 38 | S | 88.4 | Confident | 78.3 | Confident | 95 Ų | 95 | 114.7 Ų | 114.7 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -53 | -38.3 | 178.1 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | F40 L41 T42 | S38-F40 VanDerWaalsContact C-N 3.27Å; S38-F40 PolarHBondContact O-N 3.17Å; S38-L41 PolarHBondContact O-N 3.15Å; S38-L41 VanDerWaalsContact O-N 3.16Å; S38-T42 PolarHBondContact O-N 3.22Å; S38-T42 PolarHBondContact O-OG1 3.37Å |
| 39 | R | 91.2 | Very high | 78.6 | Confident | 211 Ų | 211 | 113.3 Ų | 113.3 | 80% | 0.796 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.3 | -36.7 | 175.9 | -171.5 | 174.9 | -179.2 | 158.4 | 1.3 | 113.1 | C37 H43 | C37-R39 PolarHBondContact O-N 2.86Å; C37-R39 VanDerWaalsContact O-N 3.16Å; R39-H43 WeakPolarHBondContact O-CB 3.37Å; R39-H43 PolarHBondContact O-N 3.05Å; R39-H43 VanDerWaalsContact O-N 3.16Å |
| 40 | F | 89.9 | Confident | 78.9 | Confident | 111 Ų | 111 | 106.8 Ų | 106.8 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.6 | -43.4 | 176.6 | 176.4 | -91.3 | 0 | 0 | 0 | 111.4 | P36 C37 S38 H43 M44 | P36-F40 HydrophobicContact CB-CB 4.27Å; P36-F40 HydrophobicContact CB-CD1 3.5Å; P36-F40 HydrophobicContact CB-CE1 4.17Å; P36-F40 HydrophobicContact CB-CG 4.14Å; P36-F40 HydrophobicContact CG-CD1 4.34Å; C37-F40 WeakPolarHBondContact O-CB 3.34Å; C37-F40 PolarHBondContact O-N 3.07Å; S38-F40 VanDerWaalsContact C-N 3.27Å; S38-F40 PolarHBondContact O-N 3.17Å; F40-H43 PolarHBondContact O-N 3.45Å; F40-M44 HydrophobicContact CD1-CG 4.38Å; F40-M44 HydrophobicContact CE1-CG 3.94Å; F40-M44 HydrophobicContact CE2-CG 4.34Å; F40-M44 HydrophobicContact CZ-CG 3.91Å; F40-M44 HydrophobicContact CZ-SD 4.43Å; F40-M44 WeakPolarHBondContact O-CG 3.39Å; F40-M44 PolarHBondContact O-N 3.14Å |
| 41 | L | 89.8 | Confident | 79.1 | Confident | 88 Ų | 88 | 107.9 Ų | 107.9 | 46% | 0.461 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.9 | -47.7 | 177.7 | -65.6 | 174.8 | 0 | 0 | 0 | 111.3 | P36 C37 S38 H43 M44 E45 | P36-L41 HydrophobicContact CG-CD2 3.93Å; P36-L41 HydrophobicContact CG-CG 4.28Å; C37-L41 PolarHBondContact O-N 3.47Å; S38-L41 PolarHBondContact O-N 3.15Å; S38-L41 VanDerWaalsContact O-N 3.16Å; L41-H43 VanDerWaalsContact C-N 3.31Å; L41-H43 PolarHBondContact O-N 2.86Å; L41-M44 PolarHBondContact O-N 2.83Å; L41-M44 VanDerWaalsContact O-N 3.12Å; L41-E45 WeakPolarHBondContact O-CG 3.36Å; L41-E45 PolarHBondContact O-N 3.23Å |
| 42 | T | 88.4 | Confident | 79.1 | Confident | 78 Ų | 78 | 106.8 Ų | 106.8 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.3 | -39 | 177.5 | -51 | 0 | 0 | 0 | 0 | 112.4 | S38 E45 T46 | S38-T42 PolarHBondContact O-N 3.22Å; S38-T42 PolarHBondContact O-OG1 3.37Å; T42-E45 PolarHBondContact O-N 3.28Å; T42-T46 WeakPolarHBondContact O-CB 3.48Å; T42-T46 PolarHBondContact O-N 3.03Å; T42-T46 PolarHBondContact O-OG1 2.81Å |
| 43 | H | 90.2 | Very high | 78.7 | Confident | 111 Ų | 111 | 106.7 Ų | 106.7 | 51% | 0.514 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.6 | -43.4 | 175.2 | 172.9 | 62.4 | 0 | 0 | 0 | 111.7 | R39 F40 L41 T46 F47 | R39-H43 WeakPolarHBondContact O-CB 3.37Å; R39-H43 PolarHBondContact O-N 3.05Å; R39-H43 VanDerWaalsContact O-N 3.16Å; F40-H43 PolarHBondContact O-N 3.45Å; L41-H43 VanDerWaalsContact C-N 3.31Å; L41-H43 PolarHBondContact O-N 2.86Å; H43-T46 PolarHBondContact O-N 3.45Å; H43-F47 WeakPolarHBondContact O-CB 3.5Å; H43-F47 PolarHBondContact O-N 2.77Å |
| 44 | M | 88.6 | Confident | 77.7 | Confident | 65 Ų | 65 | 107.6 Ų | 107.6 | 32% | 0.32 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.1 | -33.7 | 178.7 | -71.3 | -72.3 | 77 | 0 | 0 | 113.4 | F40 L41 F47 S48 | F40-M44 HydrophobicContact CD1-CG 4.38Å; F40-M44 HydrophobicContact CE1-CG 3.94Å; F40-M44 HydrophobicContact CE2-CG 4.34Å; F40-M44 HydrophobicContact CZ-CG 3.91Å; F40-M44 HydrophobicContact CZ-SD 4.43Å; F40-M44 WeakPolarHBondContact O-CG 3.39Å; F40-M44 PolarHBondContact O-N 3.14Å; L41-M44 PolarHBondContact O-N 2.83Å; L41-M44 VanDerWaalsContact O-N 3.12Å; M44-F47 HydrophobicContact CE-CB 3.71Å; M44-F47 HydrophobicContact CE-CD1 4.08Å; M44-F47 HydrophobicContact CE-CG 3.91Å; M44-S48 VanDerWaalsContact O-CB 3.22Å; M44-S48 WeakPolarHBondContact O-CB 3.46Å; M44-S48 PolarHBondContact O-N 3.27Å; M44-S48 PolarHBondContact O-OG 3.01Å |
| 45 | E | 83.8 | Confident | 76.8 | Confident | 132 Ų | 132 | 111.7 Ų | 111.7 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.4 | -43.6 | 171.5 | -73.8 | 179.6 | 165.5 | 0 | 0 | 111.4 | L41 T42 S48 S49 | L41-E45 WeakPolarHBondContact O-CG 3.36Å; L41-E45 PolarHBondContact O-N 3.23Å; T42-E45 PolarHBondContact O-N 3.28Å; E45-S48 CarbonylContact O-C 3.58Å; E45-S48 WeakPolarHBondContact O-CB 3.46Å; E45-S48 PolarHBondContact O-N 3.02Å; E45-S49 WeakPolarHBondContact O-CB 3.37Å; E45-S49 PolarHBondContact O-N 3.23Å; E45-S49 PolarHBondContact O-OG 2.91Å |
| 46 | T | 79.8 | Confident | 75.6 | Confident | 82 Ų | 82 | 113.6 Ų | 113.6 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.3 | -44.7 | 178 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | T42 H43 S48 S49 S50 | T42-T46 WeakPolarHBondContact O-CB 3.48Å; T42-T46 PolarHBondContact O-N 3.03Å; T42-T46 PolarHBondContact O-OG1 2.81Å; H43-T46 PolarHBondContact O-N 3.45Å; T46-S48 VanDerWaalsContact C-N 3.3Å; T46-S48 PolarHBondContact O-N 3.01Å; T46-S49 PolarHBondContact O-N 2.98Å; T46-S49 VanDerWaalsContact O-N 3.16Å; T46-S49 PolarHBondContact O-OG 2.74Å; T46-S50 WeakPolarHBondContact O-CB 3.22Å; T46-S50 PolarHBondContact O-N 3.48Å |
| 47 | F | 75.9 | Confident | 74.2 | Confident | 133 Ų | 133 | 118.2 Ų | 118.2 | 58% | 0.583 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.3 | -39.4 | 174.8 | -172 | -95.6 | 0 | 0 | 0 | 112 | H43 M44 S49 S50 H51 | H43-F47 WeakPolarHBondContact O-CB 3.5Å; H43-F47 PolarHBondContact O-N 2.77Å; M44-F47 HydrophobicContact CE-CB 3.71Å; M44-F47 HydrophobicContact CE-CD1 4.08Å; M44-F47 HydrophobicContact CE-CG 3.91Å; F47-S49 VanDerWaalsContact C-N 3.34Å; F47-S50 PolarHBondContact O-N 2.91Å; F47-H51 PolarHBondContact O-ND1 2.81Å |
| 48 | S | 74.4 | Confident | 72.1 | Confident | 66 Ų | 66 | 124 Ų | 124 | 46% | 0.462 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.6 | -34.2 | 175.1 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | M44 E45 T46 H51 | M44-S48 VanDerWaalsContact O-CB 3.22Å; M44-S48 WeakPolarHBondContact O-CB 3.46Å; M44-S48 PolarHBondContact O-N 3.27Å; M44-S48 PolarHBondContact O-OG 3.01Å; E45-S48 CarbonylContact O-C 3.58Å; E45-S48 WeakPolarHBondContact O-CB 3.46Å; E45-S48 PolarHBondContact O-N 3.02Å; T46-S48 VanDerWaalsContact C-N 3.3Å; T46-S48 PolarHBondContact O-N 3.01Å; S48-H51 VanDerWaalsContact CA-CE1 3.42Å; S48-H51 WeakPolarHBondContact CA-CE1 3.42Å; S48-H51 WeakPolarHBondContact CA-ND1 3.38Å; S48-H51 PolarHBondContact O-CE1 2.8Å; S48-H51 PolarHBondContact O-ND1 3.48Å |
| 49 | S | 64.7 | Low | 70.5 | Confident | 78 Ų | 78 | 125.8 Ų | 125.8 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.7 | -28.9 | 178 | 73.2 | 0 | 0 | 0 | 0 | 112.8 | E45 T46 F47 | E45-S49 WeakPolarHBondContact O-CB 3.37Å; E45-S49 PolarHBondContact O-N 3.23Å; E45-S49 PolarHBondContact O-OG 2.91Å; T46-S49 PolarHBondContact O-N 2.98Å; T46-S49 VanDerWaalsContact O-N 3.16Å; T46-S49 PolarHBondContact O-OG 2.74Å; F47-S49 VanDerWaalsContact C-N 3.34Å |
| 50 | S | 63.5 | Low | 68.5 | Low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.7 | -15.8 | -175.4 | -172.7 | 0 | 0 | 0 | 0 | 115 | T46 F47 K52 | T46-S50 WeakPolarHBondContact O-CB 3.22Å; T46-S50 PolarHBondContact O-N 3.48Å; F47-S50 PolarHBondContact O-N 2.91Å; S50-K52 VanDerWaalsContact C-N 3.31Å |
| 51 | H | 60.2 | Low | 66.3 | Low | 128 Ų | 128 | 125.7 Ų | 125.7 | 59% | 0.593 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 7.8 | 177.8 | 70.5 | -96.6 | 0 | 0 | 0 | 113.4 | F47 S48 T53 | F47-H51 PolarHBondContact O-ND1 2.81Å; S48-H51 VanDerWaalsContact CA-CE1 3.42Å; S48-H51 WeakPolarHBondContact CA-CE1 3.42Å; S48-H51 WeakPolarHBondContact CA-ND1 3.38Å; S48-H51 PolarHBondContact O-CE1 2.8Å; S48-H51 PolarHBondContact O-ND1 3.48Å; H51-T53 VanDerWaalsContact C-N 3.26Å; H51-T53 PolarHBondContact O-N 2.98Å |
| 52 | K | 58.4 | Low | 64.7 | Low | 171 Ų | 171 | 127.4 Ų | 127.4 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -72.6 | 91.2 | 168.7 | -131.3 | 168.6 | -175.4 | 169.5 | 0 | 107 | S50 D54 | S50-K52 VanDerWaalsContact C-N 3.31Å; K52-D54 PolarHBondContact O-N 2.92Å; K52-D54 VanDerWaalsContact O-N 3.1Å |
| 53 | T | 58.2 | Low | 62.7 | Low | 127 Ų | 127 | 127.1 Ų | 127.1 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | | | trans | -33.5 | 114.3 | 175.5 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | H51 K55 | H51-T53 VanDerWaalsContact C-N 3.26Å; H51-T53 PolarHBondContact O-N 2.98Å; T53-K55 PolarHBondContact O-N 2.81Å |
| 54 | D | 51.2 | Low | 60.7 | Low | 143 Ų | 143 | 127.9 Ų | 127.9 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | | | trans | -44.8 | 128.1 | 158.1 | -172.1 | 8.8 | 0 | 0 | 0 | 107.4 | K52 L56 | K52-D54 PolarHBondContact O-N 2.92Å; K52-D54 VanDerWaalsContact O-N 3.1Å; D54-L56 PolarHBondContact O-N 3.16Å |
| 55 | K | 57 | Low | 59.2 | Low | 174 Ų | 174 | 129.2 Ų | 129.2 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | | | trans | -61.5 | 88.8 | -173.9 | -83.5 | 176.3 | 170.3 | 178.2 | 0 | 108.1 | T53 H57 | T53-K55 PolarHBondContact O-N 2.81Å; K55-H57 VanDerWaalsContact C-N 3.32Å; K55-H57 PolarHBondContact O-CD2 3.29Å; K55-H57 PolarHBondContact O-N 3.26Å |
| 56 | L | 59 | Low | 57.6 | Low | 144 Ų | 144 | 129.9 Ų | 129.9 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | | | trans | -62.9 | 105.3 | 159.3 | -67.9 | 179.4 | 0 | 0 | 0 | 105.7 | D54 F58 | D54-L56 PolarHBondContact O-N 3.16Å; L56-F58 WeakPolarHBondContact O-CD2 3.5Å; L56-F58 PolarHBondContact O-N 3.35Å |
| 57 | H | 55.3 | Low | 56.2 | Low | 166 Ų | 166 | 136 Ų | 136 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | trans | -51.7 | 103.1 | 169.2 | -71.3 | -94.4 | 0 | 0 | 0 | 107.5 | K55 L59 | K55-H57 VanDerWaalsContact C-N 3.32Å; K55-H57 PolarHBondContact O-CD2 3.29Å; K55-H57 PolarHBondContact O-N 3.26Å; H57-L59 VanDerWaalsContact C-N 3.34Å; H57-L59 PolarHBondContact O-N 2.93Å |
| 58 | F | 46.9 | Very low | 55 | Low | 202 Ų | 202 | 135.7 Ų | 135.7 | 89% | 0.886 | 74% | 0.744 | S | S | * | * | | | trans | -63.4 | 98.7 | 171.2 | -71 | -84.8 | 0 | 0 | 0 | 107.3 | L56 | L56-F58 WeakPolarHBondContact O-CD2 3.5Å; L56-F58 PolarHBondContact O-N 3.35Å |
| 59 | L | 54.8 | Low | 53.7 | Low | 133 Ų | 133 | 141.4 Ų | 141.4 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | | | trans | -64.9 | 131.3 | 165.7 | -66.3 | 175.9 | 0 | 0 | 0 | 107.8 | H57 F61 | H57-L59 VanDerWaalsContact C-N 3.34Å; H57-L59 PolarHBondContact O-N 2.93Å; L59-F61 PolarHBondContact O-N 2.9Å; L59-F61 VanDerWaalsContact O-N 3.15Å |
| 60 | P | 48.7 | Very low | 53.4 | Low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | trans | -70.6 | 109 | 175.1 | 25.9 | -29 | 0 | 0 | 0 | 109.2 | | |
| 61 | F | 43.3 | Very low | 52.9 | Low | 197 Ų | 197 | 143.8 Ų | 143.8 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -75.9 | 130.2 | 169.1 | -75.4 | -84.6 | 0 | 0 | 0 | 110 | L59 | L59-F61 PolarHBondContact O-N 2.9Å; L59-F61 VanDerWaalsContact O-N 3.15Å |
| 62 | P | 55.7 | Low | 52.7 | Low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -89.3 | 111.5 | 178.8 | 31.9 | -28.8 | 0 | 0 | 0 | 112.6 | | |
| 63 | G | 47.8 | Very low | 52.3 | Low | 72 Ų | 72 | 140.2 Ų | 140.2 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | 66.1 | 168.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 64 | P | 47.2 | Very low | 51.9 | Low | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | cis | -122.8 | 159.6 | 16 | 37.8 | -22.4 | 0 | 0 | 0 | 115.3 | L66 | P64-L66 PolarHBondContact O-N 3.12Š|
| 65 | A | 56.8 | Low | 51.5 | Low | 93 Ų | 93 | 141.6 Ų | 141.6 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -62.5 | 125.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 66 | L | 51.1 | Low | 51.1 | Low | 147 Ų | 147 | 144.7 Ų | 144.7 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | -173.6 | 123.5 | 132.2 | -126.7 | 77.4 | 0 | 0 | 0 | 112.5 | P64 | P64-L66 PolarHBondContact O-N 3.12Š|
| 67 | R | 49.3 | Very low | 50.5 | Low | 211 Ų | 211 | 143 Ų | 143 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | | | trans | 87 | 128.1 | 155.3 | -61.9 | -170 | 173.4 | -167.8 | -1.9 | 119.6 | | |
| 68 | P | 51.3 | Low | 50 | Low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -82.9 | 120.4 | 171.8 | 34 | -28.1 | 0 | 0 | 0 | 109 | | |
| 69 | F | 47 | Very low | 50.1 | Low | 186 Ų | 186 | 135.9 Ų | 135.9 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | trans | -106.4 | 116.3 | 155.2 | 43.3 | -89.3 | 0 | 0 | 0 | 107.4 | A71 | F69-A71 PolarHBondContact O-N 3.16Š|
| 70 | T | 59.5 | Low | 49.5 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -66.4 | 107.3 | -179.9 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 71 | A | 52.2 | Low | 49.1 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -131.8 | 87.1 | 152.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | F69 | F69-A71 PolarHBondContact O-N 3.16Š|
| 72 | I | 56.3 | Low | 48.8 | Very low | 163 Ų | 163 | 139 Ų | 139 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -77.2 | 126.8 | -179.9 | -67.8 | 163.4 | 0 | 0 | 0 | 108.8 | | |
| 73 | G | 49.3 | Very low | 48 | Very low | 61 Ų | 61 | 138 Ų | 138 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | | | trans | 85.9 | 118.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 74 | L | 50.5 | Low | 47.6 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | cis | -162.2 | 86.9 | 47.3 | -75.8 | 156.2 | 0 | 0 | 0 | 109.4 | | |
| 75 | C | 42.2 | Very low | 47.5 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -100.5 | 88.3 | 158.4 | -70.2 | 0 | 0 | 0 | 0 | 107.3 | S77 | C75-S77 VanDerWaalsContact C-N 3.26Å; C75-S77 PolarHBondContact O-N 3.35Å |
| 76 | R | 49.4 | Very low | 46.9 | Very low | 240 Ų | 240 | 141.9 Ų | 141.9 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | | | trans | -74 | 83.6 | 171.3 | -172.6 | -173.6 | -93.8 | -132 | 0.4 | 107.6 | | |
| 77 | S | 45 | Very low | 46.2 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -76.6 | 130 | 169.9 | 66.5 | 0 | 0 | 0 | 0 | 109.6 | C75 S79 | C75-S77 VanDerWaalsContact C-N 3.26Å; C75-S77 PolarHBondContact O-N 3.35Å; S77-S79 PolarHBondContact O-N 3.03Å |
| 78 | V | 45.1 | Very low | 45.9 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | | | trans | -68.5 | 113.8 | 178.3 | 167.2 | 0 | 0 | 0 | 0 | 108.6 | Q80 | V78-Q80 HydrophobicContact CG1-CG 4.34Å; V78-Q80 PolarHBondContact O-N 2.86Å |
| 79 | S | 49.4 | Very low | 44.9 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | | | trans | -77.8 | 109.7 | 170.6 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | S77 N81 | S77-S79 PolarHBondContact O-N 3.03Å; S79-N81 PolarHBondContact OG-ND2 3Å |
| 80 | Q | 43.4 | Very low | 44.3 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -103.4 | 103.2 | 157.9 | -74.3 | -175.5 | -12.6 | 0 | 0 | 107.1 | V78 | V78-Q80 HydrophobicContact CG1-CG 4.34Å; V78-Q80 PolarHBondContact O-N 2.86Å |
| 81 | N | 39.7 | Very low | 43.1 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | -103.3 | 102.1 | 168.4 | -85.4 | -63.9 | 0 | 0 | 0 | 108.4 | S79 | S79-N81 PolarHBondContact OG-ND2 3Š|
| 82 | Y | 36 | Very low | 42.5 | Very low | 220 Ų | 220 | 138.4 Ų | 138.4 | 86% | 0.863 | 78% | 0.776 | S | S | * | * | | | trans | -102.6 | 121.9 | 151.7 | -80.8 | -84.6 | 0 | 0 | 0 | 106.8 | | |
| 83 | S | 38.6 | Very low | 41.5 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | | 164.3 | 125 | 112.8 | -160.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 84 | S | 41 | Very low | 40.7 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | | | trans | 46.1 | 101.6 | 140.8 | 58.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 85 | Q | 44.2 | Very low | 39.9 | Very low | 177 Ų | 177 | 140.9 Ų | 140.9 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | | 73.2 | 155 | 89.5 | -70.8 | -83.3 | 1.5 | 0 | 0 | 113.7 | | |
| 86 | P | 45.1 | Very low | 39.4 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | cis | -133.6 | 148.1 | -3.3 | 35.9 | -18.2 | 0 | 0 | 0 | 114.1 | | |
| 87 | I | 35.3 | Very low | 38.9 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | -138.8 | 116.9 | 155.2 | -55.9 | -179.4 | 0 | 0 | 0 | 110.1 | | |
| 88 | S | 44.2 | Very low | 38.4 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | trans | -50.2 | 126.1 | 172.6 | 176.2 | 0 | 0 | 0 | 0 | 113 | | |
| 89 | C | 30.2 | Very low | 37.9 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | -146.7 | 115.2 | 149.9 | -84 | 0 | 0 | 0 | 0 | 108.1 | T91 | C89-T91 PolarHBondContact O-N 2.85Š|
| 90 | K | 33.9 | Very low | 37.2 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | | | trans | -54.1 | 121.5 | 177.5 | -62.5 | 178.5 | 175.8 | -178.7 | 0 | 109.5 | | |
| 91 | T | 33.9 | Very low | 36.6 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | -87.8 | 117.3 | 164.2 | -64.2 | 0 | 0 | 0 | 0 | 106.8 | C89 E93 | C89-T91 PolarHBondContact O-N 2.85Å; T91-E93 PolarHBondContact O-N 3.16Å |
| 92 | S | 40.9 | Very low | 36.3 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -69.3 | 111.2 | 175.6 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 93 | E | 34.3 | Very low | 36.2 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -88.6 | 100.1 | 156.8 | -68 | -178.8 | 139.3 | 0 | 0 | 107 | T91 V95 | T91-E93 PolarHBondContact O-N 3.16Å; E93-V95 PolarHBondContact O-N 3.46Å |
| 94 | T | 32.6 | Very low | 35.7 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -89.6 | 91.5 | 160.7 | 37.9 | 0 | 0 | 0 | 0 | 107.8 | Q96 | T94-Q96 PolarHBondContact O-N 2.71Š|
| 95 | V | 34 | Very low | 35.3 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 117.9 | 153.3 | 173.6 | 0 | 0 | 0 | 0 | 106.2 | E93 | E93-V95 PolarHBondContact O-N 3.46Š|
| 96 | Q | 32 | Very low | 35.2 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 127.9 | 177.9 | -165.7 | 171.9 | 8.5 | 0 | 0 | 109.6 | T94 | T94-Q96 PolarHBondContact O-N 2.71Š|
| 97 | E | 38 | Very low | 34.7 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 160.3 | -179.3 | -167.2 | -174.4 | 119.5 | 0 | 0 | 113 | | |
| 98 | D | 33.9 | Very low | 34.8 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | -3.8 | 131.6 | 166.9 | -83.2 | -46.2 | 0 | 0 | 0 | 121.1 | A100 | D98-A100 PolarHBondContact O-N 2.87Š|
| 99 | K | 34.8 | Very low | 34.5 | Very low | 196 Ų | 196 | 136.5 Ų | 136.5 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | | | | 4.3 | 108.8 | 129.5 | -169.4 | -174.5 | -175 | -176.4 | 0 | 116.9 | | |
| 100 | A | 34.3 | Very low | 34.8 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | | | | 165.4 | 130.6 | 115.7 | 0 | 0 | 0 | 0 | 0 | 114 | D98 | D98-A100 PolarHBondContact O-N 2.87Š|
| 101 | T | 31.4 | Very low | 35.4 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | 75.5 | 118.8 | 139.9 | -54 | 0 | 0 | 0 | 0 | 121.6 | | |
| 102 | A | 33.5 | Very low | 36.1 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | 81 | 110.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 103 | S | 34.9 | Very low | 36.1 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | | | | 72.4 | 116.7 | 117.1 | -168 | 0 | 0 | 0 | 0 | 120.6 | | |
| 104 | G | 27.7 | Very low | 36.4 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | 125.7 | 111 | 144.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 105 | S | 32.6 | Very low | 36.8 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -75.8 | 169.2 | 150.8 | 85 | 0 | 0 | 0 | 0 | 109.3 | | |
| 106 | P | 41.9 | Very low | 37.2 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | | | cis | -150.9 | 177.6 | 34.9 | 34 | -8.1 | 0 | 0 | 0 | 117.4 | | |
| 107 | T | 35.3 | Very low | 38.1 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | | | trans | 43.1 | 130.3 | 144.9 | -43.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 108 | Q | 37.2 | Very low | 38.7 | Very low | 188 Ų | 188 | 124 Ų | 124 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | | 171.8 | 134.4 | 113.3 | -169 | 171.7 | 46.9 | 0 | 0 | 114.6 | | |
| 109 | T | 37 | Very low | 39.3 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | -65.5 | 136.2 | 170.5 | -54.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 110 | D | 37.4 | Very low | 39.7 | Very low | 138 Ų | 138 | 119.7 Ų | 119.7 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | | | trans | 176.1 | 132.1 | 135.6 | -120.4 | -22 | 0 | 0 | 0 | 108.3 | | |
| 111 | S | 45.8 | Very low | 40.3 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | | -170.6 | 138.8 | 70.2 | -58.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 112 | L | 47.9 | Very low | 40.8 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | | | trans | -78.4 | 132.3 | -179.5 | -62.8 | 160.7 | 0 | 0 | 0 | 111.6 | | |
| 113 | T | 42.1 | Very low | 41.5 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | trans | -132.9 | 104.5 | 153.1 | -36.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 114 | V | 39.6 | Very low | 42 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | | | trans | -77.4 | 132.3 | 177 | 163.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 115 | C | 41.3 | Very low | 42.6 | Very low | 136 Ų | 136 | 127 Ų | 127 | 92% | 0.919 | 81% | 0.808 | S | S | * | * | | | trans | -136.1 | 87.5 | 154.3 | -93.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 116 | G | 41.9 | Very low | 43.4 | Very low | 69 Ų | 69 | 129.2 Ų | 129.2 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | trans | -114.7 | 114.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 117 | S | 51.5 | Low | 43.5 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | trans | -128.7 | 90.9 | 162 | 16.5 | 0 | 0 | 0 | 0 | 108.2 | L119 | S117-L119 PolarHBondContact O-N 3.36Š|
| 118 | A | 49.7 | Very low | 43.8 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | | | trans | -78 | 108.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G120 | A118-G120 PolarHBondContact O-N 2.92Š|
| 119 | L | 48 | Very low | 43.8 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | | | trans | -77.7 | 109.2 | 168.9 | -172.1 | 57.8 | 0 | 0 | 0 | 108.3 | S117 | S117-L119 PolarHBondContact O-N 3.36Š|
| 120 | G | 43.1 | Very low | 44.7 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | | | trans | -62.9 | 137.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115 | A118 | A118-G120 PolarHBondContact O-N 2.92Š|
| 121 | R | 46.3 | Very low | 45.1 | Very low | 258 Ų | 258 | 128.1 Ų | 128.1 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | | | trans | -73.5 | 124.2 | 149.8 | -71.3 | 178.1 | -175.1 | -93.3 | -0.9 | 107.6 | | |
| 122 | G | 42.2 | Very low | 44.6 | Very low | 81 Ų | 81 | 131.1 Ų | 131.1 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -155.2 | 84.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 123 | A | 47.5 | Very low | 44.4 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | | | trans | -128.2 | 102.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 124 | V | 45.2 | Very low | 44.2 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | trans | -176 | 137.9 | 160.8 | 165.9 | 0 | 0 | 0 | 0 | 103.7 | | |
| 125 | A | 40.9 | Very low | 44.5 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | | | cis | -138.1 | 171.1 | 31.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 126 | I | 49.4 | Very low | 44.3 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | | -159.2 | 129.6 | 52.9 | -33.1 | -173.7 | 0 | 0 | 0 | 109.3 | | |
| 127 | T | 43.2 | Very low | 44.1 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -75.1 | 140.9 | 160.4 | 30.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 128 | P | 41.6 | Very low | 43.7 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | -109.2 | 105.6 | 142.6 | 27.3 | -16.7 | 0 | 0 | 0 | 108.4 | T130 | P128-T130 PolarHBondContact O-N 2.89Š|
| 129 | E | 38.6 | Very low | 42.9 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -64.9 | 107.7 | 162.1 | -170.2 | -170.5 | 150.3 | 0 | 0 | 107.9 | | |
| 130 | T | 54.9 | Low | 42.3 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -138.3 | 104.8 | 156.9 | 51.6 | 0 | 0 | 0 | 0 | 108.4 | P128 L132 | P128-T130 PolarHBondContact O-N 2.89Å; T130-L132 PolarHBondContact O-N 2.83Å |
| 131 | T | 47.3 | Very low | 42.2 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -52.9 | 115.8 | 159.4 | 37.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 132 | L | 35.4 | Very low | 41.9 | Very low | 172 Ų | 172 | 142 Ų | 142 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | | | trans | -161.3 | 134.7 | 143.4 | -143.1 | 73.8 | 0 | 0 | 0 | 112.1 | T130 | T130-L132 PolarHBondContact O-N 2.83Š|
| 133 | K | 42.5 | Very low | 42 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | -56.3 | 150.2 | 176.3 | -65.2 | -93.7 | 176.9 | 174.7 | 0 | 111.4 | | |
| 134 | H | 38.8 | Very low | 41.6 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -22.3 | 137.7 | 157.8 | -131.7 | -87.9 | 0 | 0 | 0 | 113.8 | H136 | H134-H136 PolarHBondContact ND1-N 3.23Š|
| 135 | P | 46 | Very low | 41 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | | -149.1 | 130.8 | 96.9 | 30.9 | -10.5 | 0 | 0 | 0 | 116.7 | | |
| 136 | H | 35.5 | Very low | 41 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | | | trans | 59.4 | 128.9 | 133.4 | -154 | -92.6 | 0 | 0 | 0 | 121.6 | H134 | H134-H136 PolarHBondContact ND1-N 3.23Š|
| 137 | L | 38.1 | Very low | 40.4 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -52.5 | 175.7 | 162.3 | -79 | 166.2 | 0 | 0 | 0 | 112.6 | | |
| 138 | P | 43.6 | Very low | 40.2 | Very low | 99 Ų | 99 | 147 Ų | 147 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | | | cis | -154.1 | -168.5 | 33.2 | 36.5 | -9.6 | 0 | 0 | 0 | 117.1 | | |
| 139 | T | 33.7 | Very low | 40.2 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | 79.6 | 138.9 | 148.1 | -53.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 140 | E | 35.6 | Very low | 40.5 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | | | cis | -178.2 | 167.8 | -7.7 | -171.3 | -144.5 | 154.9 | 0 | 0 | 106.8 | | |
| 141 | R | 39.8 | Very low | 39.8 | Very low | 204 Ų | 204 | 147.2 Ų | 147.2 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | 96.5 | 92.1 | 154.5 | -54.6 | -163.4 | 176.2 | 136.5 | 17.5 | 121.1 | | |
| 142 | R | 39.6 | Very low | 39.7 | Very low | 233 Ų | 233 | 153.2 Ų | 153.2 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -8.9 | 159.3 | 136.6 | -129.1 | -164.5 | 173.8 | 145.4 | -1.5 | 118.4 | | |
| 143 | P | 44.3 | Very low | 40 | Very low | 112 Ų | 112 | 151.7 Ų | 151.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | | -158.7 | 162.4 | 76.1 | 38.1 | -15.9 | 0 | 0 | 0 | 120.4 | | |
| 144 | K | 39.5 | Very low | 40.4 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | | | trans | 67.9 | 143.1 | 148.2 | -115.3 | 145.6 | 174.7 | 175.3 | 0 | 120.5 | | |
| 145 | A | 32.7 | Very low | 40.5 | Very low | 81 Ų | 81 | 149.8 Ų | 149.8 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | cis | -163.2 | 145.7 | -10.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 146 | V | 40.5 | Very low | 40.5 | Very low | 133 Ų | 133 | 151.7 Ų | 151.7 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | 29.8 | 120.5 | 143.5 | -171.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 147 | I | 38 | Very low | 41.3 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | | -161.1 | 134.2 | 108.3 | -23.2 | 172.7 | 0 | 0 | 0 | 111.8 | | |
| 148 | S | 38.1 | Very low | 42 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | 70.4 | 110.9 | 150 | -162.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 149 | F | 42.8 | Very low | 42.3 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | trans | -98.4 | 145.3 | 156.4 | -69 | -87.7 | 0 | 0 | 0 | 109.7 | | |
| 150 | P | 44.1 | Very low | 43.2 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -99.4 | 135.7 | 144.4 | 28.8 | -18.9 | 0 | 0 | 0 | 111.2 | | |
| 151 | A | 40.9 | Very low | 44 | Very low | 95 Ų | 95 | 153.4 Ų | 153.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -2.9 | 136 | 166.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | V153 | A151-V153 PolarHBondContact O-N 3.42Š|
| 152 | R | 44.5 | Very low | 44.5 | Very low | 248 Ų | 248 | 149.9 Ų | 149.9 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | | | trans | -41.1 | 126.9 | 164 | -64.4 | 178.3 | 175 | -165.7 | -1.7 | 112.4 | | |
| 153 | V | 42.1 | Very low | 44.9 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | | | trans | -121.7 | 128.7 | 143.6 | 178.7 | 0 | 0 | 0 | 0 | 106.7 | A151 K155 | A151-V153 PolarHBondContact O-N 3.42Å; V153-K155 PolarHBondContact O-N 3.32Å |
| 154 | V | 49.9 | Very low | 44.9 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | | | trans | -43 | 119.9 | -179.7 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | E156 | V154-E156 PolarHBondContact O-N 2.75Š|
| 155 | K | 41.4 | Very low | 45.3 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 90.1 | 168.6 | -168.9 | 174.4 | -176.3 | 178.1 | 0 | 106.9 | V153 P157 | V153-K155 PolarHBondContact O-N 3.32Å; K155-P157 VanDerWaalsContact O-CD 3.27Å; K155-P157 WeakPolarHBondContact O-CD 3.45Å |
| 156 | E | 45.1 | Very low | 46.5 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -47.4 | 116.7 | 162.6 | -169.8 | 100.3 | 165.4 | 0 | 0 | 107.9 | V154 L158 | V154-E156 PolarHBondContact O-N 2.75Å; E156-L158 PolarHBondContact O-N 2.76Å; E156-L158 VanDerWaalsContact O-N 3.15Å |
| 157 | P | 52.8 | Low | 47.4 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | | | trans | -68.3 | 114.4 | 169.7 | -13 | 28.3 | 0 | 0 | 0 | 107.5 | K155 | K155-P157 VanDerWaalsContact O-CD 3.27Å; K155-P157 WeakPolarHBondContact O-CD 3.45Å |
| 158 | L | 53.4 | Low | 48 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | -38.2 | 128.6 | 165.8 | -84.3 | 150.5 | 0 | 0 | 0 | 110 | E156 L160 | E156-L158 PolarHBondContact O-N 2.76Å; E156-L158 VanDerWaalsContact O-N 3.15Å; L158-L160 PolarHBondContact O-N 2.99Å |
| 159 | P | 50.3 | Low | 48.6 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -65.4 | 106.9 | 171.5 | 25.3 | -29.8 | 0 | 0 | 0 | 107.6 | L161 | P159-L161 PolarHBondContact O-N 3.29Å; P159-L161 VanDerWaalsContact O-N 3.07Å |
| 160 | L | 52.1 | Low | 48.9 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -56.1 | 115.1 | 164.4 | -75.7 | 169 | 0 | 0 | 0 | 106.4 | L158 V162 | L158-L160 PolarHBondContact O-N 2.99Å; L160-V162 PolarHBondContact O-N 3.43Å |
| 161 | L | 51.3 | Low | 49.7 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | trans | -66.5 | 85.2 | 176.6 | -150.4 | 112.4 | 0 | 0 | 0 | 107.6 | P159 G163 | P159-L161 PolarHBondContact O-N 3.29Å; P159-L161 VanDerWaalsContact O-N 3.07Å; L161-G163 PolarHBondContact O-N 2.91Å |
| 162 | V | 50.7 | Low | 50.6 | Low | 131 Ų | 131 | 147.1 Ų | 147.1 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -59.5 | 127.5 | 173 | 168.5 | 0 | 0 | 0 | 0 | 107.1 | L160 S164 | L160-V162 PolarHBondContact O-N 3.43Å; V162-S164 PolarHBondContact O-N 3.15Å |
| 163 | G | 48.1 | Very low | 51.4 | Low | 65 Ų | 65 | 143.1 Ų | 143.1 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | trans | -41.6 | 130.7 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115 | L161 S165 | L161-G163 PolarHBondContact O-N 2.91Å; G163-S165 PolarHBondContact O-N 2.96Å |
| 164 | S | 44.8 | Very low | 52.1 | Low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | trans | -53.3 | 106.1 | 170.5 | -46.2 | 0 | 0 | 0 | 0 | 110 | V162 T166 | V162-S164 PolarHBondContact O-N 3.15Å; S164-T166 PolarHBondContact O-N 2.8Å; S164-T166 VanDerWaalsContact O-N 3.14Å |
| 165 | S | 47.2 | Very low | 52.7 | Low | 99 Ų | 99 | 149.3 Ų | 149.3 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | -67.5 | 108.5 | 173 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | G163 R167 | G163-S165 PolarHBondContact O-N 2.96Å; S165-R167 PolarHBondContact O-N 3.48Å |
| 166 | T | 57.3 | Low | 53.2 | Low | 137 Ų | 137 | 143.8 Ų | 143.8 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | | | trans | -79.5 | 20.8 | 173.7 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | S164 L168 | S164-T166 PolarHBondContact O-N 2.8Å; S164-T166 VanDerWaalsContact O-N 3.14Å; T166-L168 PolarHBondContact O-N 2.99Å |
| 167 | R | 59.6 | Low | 53.5 | Low | 184 Ų | 184 | 142.5 Ų | 142.5 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | | | trans | -101.8 | 77.3 | 175.8 | -61.9 | -166.1 | -163.8 | -105.2 | 4.7 | 110.4 | S165 F169 | S165-R167 PolarHBondContact O-N 3.48Å; R167-F169 HydrophobicContact CB-CD2 3.8Å; R167-F169 HydrophobicContact CB-CE2 3.72Å; R167-F169 HydrophobicContact CG-CE2 4.22Å; R167-F169 PolarHBondContact O-N 2.82Å |
| 168 | L | 51.3 | Low | 53.7 | Low | 171 Ų | 171 | 142.3 Ų | 142.3 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | | | trans | -65.9 | 83.3 | 157.9 | -68.4 | 174.2 | 0 | 0 | 0 | 108.2 | T166 S170 | T166-L168 PolarHBondContact O-N 2.99Å; L168-S170 PolarHBondContact O-N 3.16Å; L168-S170 VanDerWaalsContact O-N 3.15Å |
| 169 | F | 50.1 | Low | 53.7 | Low | 153 Ų | 153 | 139.7 Ų | 139.7 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | | | trans | -75.6 | 95 | 163 | -77.9 | -77.6 | 0 | 0 | 0 | 107.8 | R167 K171 | R167-F169 HydrophobicContact CB-CD2 3.8Å; R167-F169 HydrophobicContact CB-CE2 3.72Å; R167-F169 HydrophobicContact CG-CE2 4.22Å; R167-F169 PolarHBondContact O-N 2.82Å; F169-K171 PolarHBondContact O-N 3.39Å |
| 170 | S | 48.9 | Very low | 54.3 | Low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -69.5 | 68.2 | 163.4 | 48.7 | 0 | 0 | 0 | 0 | 110 | L168 K172 | L168-S170 PolarHBondContact O-N 3.16Å; L168-S170 VanDerWaalsContact O-N 3.15Å; S170-K172 PolarHBondContact O-N 2.95Å |
| 171 | K | 60.8 | Low | 54.9 | Low | 185 Ų | 185 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -70.5 | 80.1 | 164.9 | -88.9 | -176.4 | 172.3 | 177.2 | 0 | 108.3 | F169 | F169-K171 PolarHBondContact O-N 3.39Š|
| 172 | K | 60.2 | Low | 55.6 | Low | 194 Ų | 194 | 134.3 Ų | 134.3 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | 153.9 | 65.5 | 155.2 | -88 | 170.9 | 173 | -174.8 | 0 | 110.6 | S170 | S170-K172 PolarHBondContact O-N 2.95Š|
| 173 | L | 61.8 | Low | 56.5 | Low | 163 Ų | 163 | 138.7 Ų | 138.7 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -146.9 | 69.3 | 153.6 | -69.9 | 179.6 | 0 | 0 | 0 | 109.2 | | |
| 174 | M | 56.9 | Low | 57.4 | Low | 191 Ų | 191 | 140.7 Ų | 140.7 | 94% | 0.941 | 77% | 0.774 | S | S | * | * | | | trans | -119.5 | 91.2 | 152.9 | -79.3 | -165.2 | -45.9 | 0 | 0 | 107 | | |
| 175 | K | 62.7 | Low | 58.5 | Low | 201 Ų | 201 | 141.1 Ų | 141.1 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -103 | 107.5 | 152.4 | -169.6 | 129.1 | 178.5 | 179.7 | 0 | 105.2 | C177 | K175-C177 PolarHBondContact O-N 2.78Š|
| 176 | A | 52.2 | Low | 59.2 | Low | 83 Ų | 83 | 143.7 Ų | 143.7 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | | | trans | -59.7 | 118.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | S178 | A176-S178 PolarHBondContact O-N 3.1Š|
| 177 | C | 50.3 | Low | 59.4 | Low | 131 Ų | 131 | 143.5 Ų | 143.5 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | | | trans | -84.5 | 71.5 | 159.5 | -71.5 | 0 | 0 | 0 | 0 | 108.2 | K175 S179 | K175-C177 PolarHBondContact O-N 2.78Å; C177-S179 PolarHBondContact O-N 3.27Å |
| 178 | S | 57.8 | Low | 59.4 | Low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -94.4 | 66.6 | 158.2 | 42.2 | 0 | 0 | 0 | 0 | 107.8 | A176 | A176-S178 PolarHBondContact O-N 3.1Š|
| 179 | S | 53.3 | Low | 59.9 | Low | 99 Ų | 99 | 143.8 Ų | 143.8 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | -98.9 | 100.5 | 162.4 | -173.9 | 0 | 0 | 0 | 0 | 106.3 | C177 A181 | C177-S179 PolarHBondContact O-N 3.27Å; S179-A181 PolarHBondContact O-N 2.91Å |
| 180 | V | 63.5 | Low | 60.4 | Low | 127 Ų | 127 | 145.9 Ų | 145.9 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 122.9 | 158.5 | 162.1 | 0 | 0 | 0 | 0 | 105.7 | | |
| 181 | A | 64.6 | Low | 60.7 | Low | 74 Ų | 74 | 145 Ų | 145 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 130.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | S179 R183 | S179-A181 PolarHBondContact O-N 2.91Å; A181-R183 PolarHBondContact O-N 2.72Å |
| 182 | P | 64.9 | Low | 60.5 | Low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 118.9 | 173.9 | -17.9 | 28.4 | 0 | 0 | 0 | 107.1 | | |
| 183 | R | 69.6 | Low | 60.7 | Low | 223 Ų | 223 | 137 Ų | 137 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 134.9 | 170.7 | -63.2 | -165.6 | -157.8 | 148 | 4.2 | 106.7 | A181 | A181-R183 PolarHBondContact O-N 2.72Š|
| 184 | P | 67.4 | Low | 60.8 | Low | 108 Ų | 108 | 137.2 Ų | 137.2 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 143.7 | 170.1 | 23.6 | -30.9 | 0 | 0 | 0 | 108.2 | Q186 | P184-Q186 PolarHBondContact O-N 3.44Š|
| 185 | P | 68.5 | Low | 61 | Low | 108 Ų | 108 | 133.4 Ų | 133.4 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 120.5 | 170.2 | -22.6 | 32.2 | 0 | 0 | 0 | 107.5 | D187 | P185-D187 PolarHBondContact O-N 2.88Š|
| 186 | Q | 60.7 | Low | 60.9 | Low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | -72 | 85.1 | 172 | -172.7 | 164.8 | -1.8 | 0 | 0 | 105.1 | P184 F188 | P184-Q186 PolarHBondContact O-N 3.44Å; Q186-F188 WeakPolarHBondContact O-CD2 3.44Å; Q186-F188 PolarHBondContact O-N 2.9Å |
| 187 | D | 62.7 | Low | 61.4 | Low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -60.9 | 98.5 | 167.5 | -70.4 | -30.5 | 0 | 0 | 0 | 104.8 | P185 H189 | P185-D187 PolarHBondContact O-N 2.88Å; D187-H189 VanDerWaalsContact C-N 3.34Å; D187-H189 PolarHBondContact O-N 3.03Å |
| 188 | F | 59.8 | Low | 62.4 | Low | 175 Ų | 175 | 135.9 Ų | 135.9 | 77% | 0.768 | 76% | 0.76 | S | S | * | * | | | trans | -53.1 | 108.5 | 169.6 | -69.9 | -87.5 | 0 | 0 | 0 | 105.5 | Q186 K190 | Q186-F188 WeakPolarHBondContact O-CD2 3.44Å; Q186-F188 PolarHBondContact O-N 2.9Å; F188-K190 PolarHBondContact O-N 3.04Å |
| 189 | H | 60.6 | Low | 62.6 | Low | 186 Ų | 186 | 136.1 Ų | 136.1 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | trans | -54.2 | 99.2 | 161.6 | -68.2 | -74.6 | 0 | 0 | 0 | 105.5 | D187 A191 | D187-H189 VanDerWaalsContact C-N 3.34Å; D187-H189 PolarHBondContact O-N 3.03Å; H189-A191 PolarHBondContact O-N 2.75Å |
| 190 | K | 60.3 | Low | 63.1 | Low | 197 Ų | 197 | 137.1 Ų | 137.1 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | | | trans | -57.8 | 103.8 | 155.7 | -84.6 | 179.4 | 176.7 | -87.3 | 0 | 103.1 | F188 C192 | F188-K190 PolarHBondContact O-N 3.04Å; K190-C192 PolarHBondContact O-N 3.22Å |
| 191 | A | 55.2 | Low | 63.2 | Low | 87 Ų | 87 | 136.4 Ų | 136.4 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | trans | -49.6 | 102.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | H189 S193 | H189-A191 PolarHBondContact O-N 2.75Å; A191-S193 PolarHBondContact O-N 3.17Å |
| 192 | C | 58.5 | Low | 62.8 | Low | 99 Ų | 99 | 139.6 Ų | 139.6 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | trans | -71.7 | 93.8 | 168.5 | -172.6 | 0 | 0 | 0 | 0 | 103.7 | K190 Q194 | K190-C192 PolarHBondContact O-N 3.22Å; C192-Q194 PolarHBondContact O-N 3Å |
| 193 | S | 62.4 | Low | 62.6 | Low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | | | trans | -64.6 | 71.5 | 165.7 | -48.5 | 0 | 0 | 0 | 0 | 107.8 | A191 S195 | A191-S193 PolarHBondContact O-N 3.17Å; S193-S195 PolarHBondContact O-N 3.11Å |
| 194 | Q | 64.3 | Low | 62.1 | Low | 166 Ų | 166 | 136.1 Ų | 136.1 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -74.3 | 89.2 | 160 | -92.1 | 179 | 11.5 | 0 | 0 | 106.2 | C192 L196 | C192-Q194 PolarHBondContact O-N 3Å; Q194-L196 PolarHBondContact O-N 3.29Å |
| 195 | S | 62.7 | Low | 61.7 | Low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -54.4 | 108.7 | 156.9 | 49.1 | 0 | 0 | 0 | 0 | 107.3 | S193 S197 | S193-S195 PolarHBondContact O-N 3.11Å; S195-S197 PolarHBondContact O-N 3.44Å |
| 196 | L | 58.9 | Low | 61 | Low | 168 Ų | 168 | 137.8 Ų | 137.8 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | | | trans | -54.1 | 111.8 | 166.3 | -75.6 | 163.3 | 0 | 0 | 0 | 107.1 | Q194 K198 | Q194-L196 PolarHBondContact O-N 3.29Å; L196-K198 PolarHBondContact O-N 3.22Å |
| 197 | S | 64.1 | Low | 60.5 | Low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 123.3 | 167.2 | 41.7 | 0 | 0 | 0 | 0 | 107.3 | S195 | S195-S197 PolarHBondContact O-N 3.44Š|
| 198 | K | 71.6 | Confident | 60.4 | Low | 188 Ų | 188 | 140.4 Ų | 140.4 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 135.6 | 177.4 | -62.2 | 173.9 | 179.9 | 177.8 | 0 | 108.8 | L196 V200 | L196-K198 PolarHBondContact O-N 3.22Å; K198-V200 PolarHBondContact O-N 3.44Å; K198-V200 VanDerWaalsContact O-N 3.17Å |
| 199 | P | 61.2 | Low | 60.4 | Low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 117.9 | 166.1 | 26.4 | -30.2 | 0 | 0 | 0 | 108.2 | V201 | P199-V201 PolarHBondContact O-N 3.11Å; P199-V201 VanDerWaalsContact O-N 3.11Å |
| 200 | V | 63.8 | Low | 60.4 | Low | 121 Ų | 121 | 135.9 Ų | 135.9 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -69.2 | 103.2 | 164.8 | 171.2 | 0 | 0 | 0 | 0 | 106.5 | K198 N202 | K198-V200 PolarHBondContact O-N 3.44Å; K198-V200 VanDerWaalsContact O-N 3.17Å; V200-N202 WeakPolarHBondContact CG1-OD1 3.46Å; V200-N202 PolarHBondContact O-N 3.29Å |
| 201 | V | 64.9 | Low | 60.4 | Low | 112 Ų | 112 | 132.3 Ų | 132.3 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | | | trans | -76.3 | 100.3 | 167.4 | 177.5 | 0 | 0 | 0 | 0 | 106.7 | P199 T203 | P199-V201 PolarHBondContact O-N 3.11Å; P199-V201 VanDerWaalsContact O-N 3.11Å; V201-T203 HydrophobicContact CG1-CG2 3.86Å; V201-T203 PolarHBondContact O-N 3.48Å; V201-T203 VanDerWaalsContact O-N 3.11Å |
| 202 | N | 56 | Low | 60.8 | Low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | -74 | 93 | 165.5 | -82.7 | -14.4 | 0 | 0 | 0 | 108.4 | V200 H204 | V200-N202 WeakPolarHBondContact CG1-OD1 3.46Å; V200-N202 PolarHBondContact O-N 3.29Å; N202-H204 VanDerWaalsContact C-N 3.32Å; N202-H204 PolarHBondContact O-N 3.19Å |
| 203 | T | 61.4 | Low | 60.9 | Low | 111 Ų | 111 | 137.5 Ų | 137.5 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | | | trans | -79.6 | 85.2 | 159.9 | 51 | 0 | 0 | 0 | 0 | 108.4 | V201 T205 | V201-T203 HydrophobicContact CG1-CG2 3.86Å; V201-T203 PolarHBondContact O-N 3.48Å; V201-T203 VanDerWaalsContact O-N 3.11Å; T203-T205 VanDerWaalsContact C-N 3.31Å; T203-T205 PolarHBondContact O-N 3.37Å |
| 204 | H | 60.3 | Low | 60.8 | Low | 158 Ų | 158 | 139.4 Ų | 139.4 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | | | trans | -81.1 | 87 | 160 | -127.1 | -81.2 | 0 | 0 | 0 | 107.2 | N202 N206 | N202-H204 VanDerWaalsContact C-N 3.32Å; N202-H204 PolarHBondContact O-N 3.19Å; H204-N206 PolarHBondContact ND1-OD1 3.01Å; H204-N206 PolarHBondContact O-N 3.21Å |
| 205 | T | 58.4 | Low | 60.5 | Low | 116 Ų | 116 | 137.3 Ų | 137.3 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | | | trans | -82.3 | 96.7 | 159.7 | 49.3 | 0 | 0 | 0 | 0 | 106.4 | T203 C207 | T203-T205 VanDerWaalsContact C-N 3.31Å; T203-T205 PolarHBondContact O-N 3.37Å; T205-C207 PolarHBondContact O-N 3.45Å |
| 206 | N | 54.3 | Low | 60.4 | Low | 135 Ų | 135 | 139.5 Ų | 139.5 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | -65.1 | 129.7 | 165.5 | -74.6 | -30.3 | 0 | 0 | 0 | 108.1 | H204 | H204-N206 PolarHBondContact ND1-OD1 3.01Å; H204-N206 PolarHBondContact O-N 3.21Å |
| 207 | C | 49.4 | Very low | 60.5 | Low | 199 Ų | 199 | 136.9 Ų | 136.9 | 100% | 1.345 | 79% | 0.79 | S | S | * | * | | | trans | -69.8 | 0 | 172.7 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | T205 | T205-C207 PolarHBondContact O-N 3.45Š|