| 1 | M | 37.1 | Very low | 40.3 | Very low | 236 Ų | 236 | 165.6 Ų | 165.6 | 100% | 1.163 | 83% | 0.833 | S | S | * | * | | | | 0 | 115.4 | 0 | -88.9 | 162.6 | 164.2 | 0 | 0 | 108.6 | | |
| 2 | V | 34.8 | Very low | 41 | Very low | 136 Ų | 136 | 162.7 Ų | 162.7 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | | | trans | -81.9 | 114.6 | -175.1 | 175.8 | 0 | 0 | 0 | 0 | 109 | K4 | V2-K4 PolarHBondContact O-N 2.9Š|
| 3 | F | 38.4 | Very low | 41.6 | Very low | 203 Ų | 203 | 161.9 Ų | 161.9 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | | | trans | -83.1 | 94.5 | 167.1 | -99.4 | -87.4 | 0 | 0 | 0 | 109 | K5 | F3-K5 PolarHBondContact O-N 3.1Å; F3-K5 VanDerWaalsContact O-N 3.08Å |
| 4 | K | 43.6 | Very low | 41.8 | Very low | 183 Ų | 183 | 159.9 Ų | 159.9 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | | | trans | -59.7 | 105.5 | 163.2 | -87.8 | -173.8 | 174.4 | -173.2 | 0 | 108.3 | V2 V6 | V2-K4 PolarHBondContact O-N 2.9Å; K4-V6 PolarHBondContact O-N 3.03Å |
| 5 | K | 44.4 | Very low | 42.2 | Very low | 189 Ų | 189 | 161 Ų | 161 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | | | trans | -88.9 | 93.3 | 162.5 | -156.6 | 156.7 | -172.6 | 165.1 | 0 | 108.1 | F3 F7 | F3-K5 PolarHBondContact O-N 3.1Å; F3-K5 VanDerWaalsContact O-N 3.08Å; K5-F7 PolarHBondContact O-N 3.06Å; K5-F7 VanDerWaalsContact O-N 3.16Å |
| 6 | V | 43.9 | Very low | 42.6 | Very low | 119 Ų | 119 | 159.3 Ų | 159.3 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | | | trans | -60.3 | 109.8 | 170.6 | 175.5 | 0 | 0 | 0 | 0 | 107.5 | K4 K8 | K4-V6 PolarHBondContact O-N 3.03Å; V6-K8 PolarHBondContact O-N 3.24Å |
| 7 | F | 39.4 | Very low | 42.6 | Very low | 185 Ų | 185 | 158.9 Ų | 158.9 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -76.2 | 104.4 | 167.4 | -104.8 | -94.7 | 0 | 0 | 0 | 107.7 | K5 V9 | K5-F7 PolarHBondContact O-N 3.06Å; K5-F7 VanDerWaalsContact O-N 3.16Å; F7-V9 PolarHBondContact O-N 2.96Å; F7-V9 VanDerWaalsContact O-N 3.13Å |
| 8 | K | 37.5 | Very low | 42.5 | Very low | 189 Ų | 189 | 156.3 Ų | 156.3 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -67.6 | 105.3 | 167.3 | -171.9 | 88.3 | 166.6 | 169.7 | 0 | 106.9 | V6 G10 | V6-K8 PolarHBondContact O-N 3.24Å; K8-G10 PolarHBondContact O-N 2.8Å |
| 9 | V | 46.5 | Very low | 42.5 | Very low | 144 Ų | 144 | 157.1 Ų | 157.1 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | | | trans | -65.6 | 118 | 166.8 | 166.4 | 0 | 0 | 0 | 0 | 107.6 | F7 | F7-V9 PolarHBondContact O-N 2.96Å; F7-V9 VanDerWaalsContact O-N 3.13Å |
| 10 | G | 40.1 | Very low | 42.6 | Very low | 59 Ų | 59 | 157.5 Ų | 157.5 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | | | trans | 149.9 | 127.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K8 | K8-G10 PolarHBondContact O-N 2.8Š|
| 11 | E | 37.8 | Very low | 42.6 | Very low | 179 Ų | 179 | 157.9 Ų | 157.9 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | | | trans | 93.2 | 87.9 | 164.2 | -55.8 | -163.6 | 149.2 | 0 | 0 | 118.5 | | |
| 12 | T | 48.2 | Very low | 43.5 | Very low | 130 Ų | 130 | 155.2 Ų | 155.2 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | | | | 41.6 | 80.7 | 128.1 | 54.8 | 0 | 0 | 0 | 0 | 118 | | |
| 13 | L | 48.4 | Very low | 44.3 | Very low | 153 Ų | 153 | 151 Ų | 151 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | | | trans | -105.9 | 72 | 148.2 | -83.8 | 159.1 | 0 | 0 | 0 | 109.2 | K15 | L13-K15 PolarHBondContact O-N 2.93Š|
| 14 | N | 45.6 | Very low | 44.2 | Very low | 134 Ų | 134 | 152.7 Ų | 152.7 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | -53.8 | 126.1 | 157.6 | -174.7 | -72.3 | 0 | 0 | 0 | 108.4 | | |
| 15 | K | 46.6 | Very low | 43.9 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 61.4 | 130.2 | 170.8 | -100.1 | 157.3 | 166.1 | 172.3 | 0 | 115.5 | L13 | L13-K15 PolarHBondContact O-N 2.93Š|
| 16 | T | 49.1 | Very low | 44.1 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | 97.8 | 24.8 | 160.4 | -27.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 17 | K | 43 | Very low | 44.4 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | | | trans | -137.7 | 68 | 158.2 | -73.3 | -172.3 | 179.5 | 170.8 | 0 | 112 | F19 | K17-F19 HydrophobicContact CB-CD2 3.85Å; K17-F19 HydrophobicContact CB-CE2 3.87Å; K17-F19 HydrophobicContact CD-CD2 4.39Å; K17-F19 HydrophobicContact CD-CE2 3.58Å; K17-F19 HydrophobicContact CD-CZ 3.81Å; K17-F19 HydrophobicContact CG-CE2 4.2Å; K17-F19 PolarHBondContact O-N 3.35Å |
| 18 | C | 40.7 | Very low | 44.7 | Very low | 113 Ų | 113 | 141 Ų | 141 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | trans | -60.8 | 91.3 | 141.9 | -73.8 | 0 | 0 | 0 | 0 | 105.6 | L20 | C18-L20 PolarHBondContact O-N 3.16Š|
| 19 | F | 41.7 | Very low | 45.1 | Very low | 170 Ų | 170 | 137 Ų | 137 | 75% | 0.746 | 78% | 0.784 | S | S | * | * | | | trans | -59.9 | 110 | 170.4 | -92 | -86.6 | 0 | 0 | 0 | 106.7 | K17 L21 | K17-F19 HydrophobicContact CB-CD2 3.85Å; K17-F19 HydrophobicContact CB-CE2 3.87Å; K17-F19 HydrophobicContact CD-CD2 4.39Å; K17-F19 HydrophobicContact CD-CE2 3.58Å; K17-F19 HydrophobicContact CD-CZ 3.81Å; K17-F19 HydrophobicContact CG-CE2 4.2Å; K17-F19 PolarHBondContact O-N 3.35Å; F19-L21 PolarHBondContact O-N 3.08Å |
| 20 | L | 45.5 | Very low | 44.9 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -50.3 | 110 | 170.5 | -68.8 | 160 | 0 | 0 | 0 | 107.6 | C18 L22 | C18-L20 PolarHBondContact O-N 3.16Å; L20-L22 PolarHBondContact O-N 3.24Å |
| 21 | L | 43.3 | Very low | 45.1 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | trans | -56.7 | 111.4 | 160.5 | -99.4 | 144.4 | 0 | 0 | 0 | 106.6 | F19 G23 | F19-L21 PolarHBondContact O-N 3.08Å; L21-G23 PolarHBondContact O-N 2.9Å; L21-G23 VanDerWaalsContact O-N 3.1Å |
| 22 | L | 54 | Low | 45.4 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 95% | 0.948 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -65.8 | 106.8 | 174.1 | -172.7 | 71.3 | 0 | 0 | 0 | 107.8 | L20 | L20-L22 PolarHBondContact O-N 3.24Š|
| 23 | G | 53.5 | Low | 45.1 | Very low | 48 Ų | 48 | 142.3 Ų | 142.3 | 50% | 0.495 | 78% | 0.783 | S | S | . | * | | | trans | 102.7 | 102.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | L21 | L21-G23 PolarHBondContact O-N 2.9Å; L21-G23 VanDerWaalsContact O-N 3.1Å |
| 24 | Y | 35.1 | Very low | 45.2 | Very low | 238 Ų | 238 | 140.2 Ų | 140.2 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | | | | 178.1 | 139.7 | 101.9 | -96.8 | -81.9 | 0 | 0 | 0 | 109.4 | | |
| 25 | A | 36.6 | Very low | 45.1 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | | | trans | 77.5 | 103.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 26 | T | 49.2 | Very low | 45.1 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 93% | 0.933 | 76% | 0.764 | S | S | * | * | | | trans | -60.4 | 132.7 | 156.4 | -48 | 0 | 0 | 0 | 0 | 110.4 | | |
| 27 | G | 51.4 | Low | 44.8 | Very low | 63 Ų | 63 | 134.2 Ų | 134.2 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 106 | 66.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 28 | T | 44.3 | Very low | 45.3 | Very low | 119 Ų | 119 | 133 Ų | 133 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | trans | 169.3 | 131.7 | 133.2 | 30.2 | 0 | 0 | 0 | 0 | 108.4 | F30 | T28-F30 VanDerWaalsContact C-N 3.28Å; T28-F30 PolarHBondContact O-N 2.78Å |
| 29 | A | 47 | Very low | 45.5 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | | | trans | -72.5 | 85.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | K31 | A29-K31 PolarHBondContact O-N 3.07Š|
| 30 | F | 41 | Very low | 46 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | | | trans | -68 | 116.6 | 163.1 | -93.9 | -89.2 | 0 | 0 | 0 | 107.8 | T28 M32 | T28-F30 VanDerWaalsContact C-N 3.28Å; T28-F30 PolarHBondContact O-N 2.78Å; F30-M32 HydrophobicContact CB-CE 4.24Å; F30-M32 PolarHBondContact O-N 3.45Å |
| 31 | K | 44.7 | Very low | 46.1 | Very low | 203 Ų | 203 | 125 Ų | 125 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | | | trans | -64.8 | 87.9 | 166.1 | -63.4 | -168.7 | 83.9 | -177.7 | 0 | 107.4 | A29 S33 | A29-K31 PolarHBondContact O-N 3.07Å; K31-S33 PolarHBondContact O-N 3.13Å |
| 32 | M | 44.9 | Very low | 46.6 | Very low | 159 Ų | 159 | 122 Ų | 122 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | | | trans | -70.1 | 90.6 | 165.3 | -67.7 | -62.4 | -179.5 | 0 | 0 | 106.5 | F30 C34 | F30-M32 HydrophobicContact CB-CE 4.24Å; F30-M32 PolarHBondContact O-N 3.45Å; M32-C34 PolarHBondContact O-N 3.24Å |
| 33 | S | 41.3 | Very low | 46.9 | Very low | 102 Ų | 102 | 119 Ų | 119 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | | | trans | -62.8 | 109.6 | 167.2 | -172.3 | 0 | 0 | 0 | 0 | 106.5 | K31 S35 | K31-S33 PolarHBondContact O-N 3.13Å; S33-S35 PolarHBondContact O-N 2.83Å |
| 34 | C | 50.3 | Low | 46.5 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | | | trans | -69.4 | 69.6 | 160.5 | -68.1 | 0 | 0 | 0 | 0 | 107.3 | M32 P36 | M32-C34 PolarHBondContact O-N 3.24Å; C34-P36 WeakPolarHBondContact O-CD 3.35Å |
| 35 | S | 43.2 | Very low | 47.2 | Very low | 73 Ų | 73 | 120.1 Ų | 120.1 | 51% | 0.51 | 73% | 0.734 | S | S | . | * | | | trans | -61.4 | 121.8 | 164.9 | -162.8 | 0 | 0 | 0 | 0 | 105.2 | S33 N37 | S33-S35 PolarHBondContact O-N 2.83Å; S35-N37 PolarHBondContact O-N 3.4Å |
| 36 | P | 47.6 | Very low | 47.9 | Very low | 100 Ų | 100 | 120.9 Ų | 120.9 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | | | trans | -62 | 102.7 | 159.4 | 27 | -26.7 | 0 | 0 | 0 | 103.6 | C34 T38 | C34-P36 WeakPolarHBondContact O-CD 3.35Å; P36-T38 PolarHBondContact O-N 2.73Å |
| 37 | N | 42.3 | Very low | 48.2 | Very low | 145 Ų | 145 | 118 Ų | 118 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | | | trans | -66.6 | 75.3 | 156.2 | -83.7 | 20 | 0 | 0 | 0 | 105.5 | S35 G39 | S35-N37 PolarHBondContact O-N 3.4Å; N37-G39 PolarHBondContact O-N 3.12Å |
| 38 | T | 53.1 | Low | 48.4 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | | | trans | -66.9 | 55.1 | 138.7 | 46.9 | 0 | 0 | 0 | 0 | 107.1 | P36 T40 | P36-T38 PolarHBondContact O-N 2.73Å; T38-T40 PolarHBondContact O-N 2.94Å; T38-T40 VanDerWaalsContact O-N 3.12Å |
| 39 | G | 46 | Very low | 48.8 | Very low | 54 Ų | 54 | 120.1 Ų | 120.1 | 56% | 0.557 | 72% | 0.718 | S | S | * | * | | | trans | -73.5 | 94.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 103 | N37 V41 | N37-G39 PolarHBondContact O-N 3.12Å; G39-V41 PolarHBondContact O-N 2.93Å |
| 40 | T | 50.9 | Low | 49.3 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | | | trans | -40.2 | 112.9 | 155.4 | 23.8 | 0 | 0 | 0 | 0 | 106.3 | T38 | T38-T40 PolarHBondContact O-N 2.94Å; T38-T40 VanDerWaalsContact O-N 3.12Å |
| 41 | V | 48.9 | Very low | 49.3 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | | | trans | -45.1 | 121.6 | 162.3 | -179.5 | 0 | 0 | 0 | 0 | 104 | G39 Y44 | G39-V41 PolarHBondContact O-N 2.93Å; V41-Y44 HydrophobicContact CG1-CD2 4.44Å; V41-Y44 HydrophobicContact CG1-CE2 3.96Å |
| 42 | P | 53.4 | Low | 49.8 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | | | trans | -51 | 125.1 | 175.9 | 19.4 | -28.8 | 0 | 0 | 0 | 105 | Y44 | P42-Y44 PolarHBondContact O-N 2.79Š|
| 43 | P | 59.7 | Low | 50.1 | Low | 118 Ų | 118 | 115.4 Ų | 115.4 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | | | trans | -51.4 | 119 | -178.6 | 21.3 | -31.1 | 0 | 0 | 0 | 104.7 | S45 | P43-S45 VanDerWaalsContact C-N 3.33Å; P43-S45 PolarHBondContact O-N 2.85Å |
| 44 | Y | 45.3 | Very low | 50.9 | Low | 199 Ų | 199 | 113.8 Ų | 113.8 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | | | trans | -49.4 | 113.5 | 172.1 | -74.2 | -81.3 | 0 | 0 | 0 | 104.1 | V41 P42 S46 | V41-Y44 HydrophobicContact CG1-CD2 4.44Å; V41-Y44 HydrophobicContact CG1-CE2 3.96Å; P42-Y44 PolarHBondContact O-N 2.79Å; Y44-S46 VanDerWaalsContact C-N 3.27Å; Y44-S46 PolarHBondContact O-N 2.8Å |
| 45 | S | 49.2 | Very low | 51.3 | Low | 111 Ų | 111 | 114.3 Ų | 114.3 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | | | trans | -60.9 | 105.8 | 176 | 180 | 0 | 0 | 0 | 0 | 103.5 | P43 S47 | P43-S45 VanDerWaalsContact C-N 3.33Å; P43-S45 PolarHBondContact O-N 2.85Å; S45-S47 PolarHBondContact O-N 2.72Å |
| 46 | S | 52.8 | Low | 51.1 | Low | 113 Ų | 113 | 120.2 Ų | 120.2 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | | | trans | -63.4 | 86.8 | 167.8 | -60 | 0 | 0 | 0 | 0 | 104.6 | Y44 P48 | Y44-S46 VanDerWaalsContact C-N 3.27Å; Y44-S46 PolarHBondContact O-N 2.8Å; S46-P48 WeakPolarHBondContact O-CD 3.38Å; S46-P48 VanDerWaalsContact O-N 3.07Å |
| 47 | S | 54.2 | Low | 51.3 | Low | 92 Ų | 92 | 120.4 Ų | 120.4 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | | | trans | -47.3 | 121.8 | 168.4 | 180 | 0 | 0 | 0 | 0 | 105.3 | S45 N49 | S45-S47 PolarHBondContact O-N 2.72Å; S47-N49 PolarHBondContact O-N 3.49Å |
| 48 | P | 57.2 | Low | 51.5 | Low | 111 Ų | 111 | 119.9 Ų | 119.9 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | | | trans | -55.6 | 114.3 | 175 | -19.1 | 29.4 | 0 | 0 | 0 | 106 | S46 P50 | S46-P48 WeakPolarHBondContact O-CD 3.38Å; S46-P48 VanDerWaalsContact O-N 3.07Å; P48-P50 WeakPolarHBondContact O-CD 3.45Å |
| 49 | N | 51.3 | Low | 51.2 | Low | 115 Ų | 115 | 123.4 Ų | 123.4 | 62% | 0.615 | 71% | 0.71 | S | S | * | * | | | trans | -58.5 | 115.5 | 176 | -176.5 | 35.6 | 0 | 0 | 0 | 106.3 | S47 Y51 | S47-N49 PolarHBondContact O-N 3.49Å; N49-Y51 PolarHBondContact O-N 2.89Å |
| 50 | P | 57.5 | Low | 51.2 | Low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -73.2 | -7.8 | -175.4 | 30 | -33.8 | 0 | 0 | 0 | 111.6 | P48 P52 | P48-P50 WeakPolarHBondContact O-CD 3.45Å; P50-P52 VanDerWaalsContact O-CD 3.26Å; P50-P52 WeakPolarHBondContact O-CD 3.41Å |
| 51 | Y | 41.7 | Very low | 51.1 | Low | 179 Ų | 179 | 123.7 Ų | 123.7 | 70% | 0.702 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -75.4 | 115.8 | 170.1 | -78.2 | -84.6 | 0 | 0 | 0 | 109.3 | N49 T53 | N49-Y51 PolarHBondContact O-N 2.89Å; Y51-T53 PolarHBondContact O-N 3.08Å; Y51-T53 VanDerWaalsContact O-N 3.09Å |
| 52 | P | 55.5 | Low | 50.3 | Low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | | | trans | -55 | 123.7 | 161.9 | 24.2 | -30.9 | 0 | 0 | 0 | 106.5 | P50 A54 | P50-P52 VanDerWaalsContact O-CD 3.26Å; P50-P52 WeakPolarHBondContact O-CD 3.41Å; P52-A54 VanDerWaalsContact C-N 3.33Å; P52-A54 PolarHBondContact O-N 3.29Å |
| 53 | T | 51.4 | Low | 50 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | | | trans | -59.3 | 107 | 169 | -164 | 0 | 0 | 0 | 0 | 105.5 | Y51 V55 | Y51-T53 PolarHBondContact O-N 3.08Å; Y51-T53 VanDerWaalsContact O-N 3.09Å; T53-V55 HydrophobicContact CG2-CG2 4.1Å; T53-V55 PolarHBondContact O-N 3.09Å |
| 54 | A | 57.1 | Low | 49.3 | Very low | 68 Ų | 68 | 130.9 Ų | 130.9 | 56% | 0.562 | 72% | 0.715 | S | S | * | * | | | trans | -66.7 | 93.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | P52 Y56 | P52-A54 VanDerWaalsContact C-N 3.33Å; P52-A54 PolarHBondContact O-N 3.29Å; A54-Y56 HydrophobicContact CB-CD2 4.04Å; A54-Y56 HydrophobicContact CB-CE2 3.96Å; A54-Y56 PolarHBondContact O-N 3.02Å |
| 55 | V | 58.1 | Low | 49.6 | Very low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | | | trans | -68 | 87.8 | 162.8 | -177.3 | 0 | 0 | 0 | 0 | 104.2 | T53 P57 | T53-V55 HydrophobicContact CG2-CG2 4.1Å; T53-V55 PolarHBondContact O-N 3.09Å; V55-P57 WeakPolarHBondContact O-CD 3.04Å; V55-P57 VanDerWaalsContact O-N 3.15Å |
| 56 | Y | 39 | Very low | 49.5 | Very low | 198 Ų | 198 | 128.9 Ų | 128.9 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | | | trans | -60.7 | 115.7 | 165.7 | -86.1 | -86.7 | 0 | 0 | 0 | 106.1 | A54 V58 | A54-Y56 HydrophobicContact CB-CD2 4.04Å; A54-Y56 HydrophobicContact CB-CE2 3.96Å; A54-Y56 PolarHBondContact O-N 3.02Å; Y56-V58 PolarHBondContact O-N 3.31Å; Y56-V58 VanDerWaalsContact O-N 3.14Å |
| 57 | P | 52.9 | Low | 49.6 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | | | trans | -60.5 | 123.6 | 161.9 | 25.5 | -29.4 | 0 | 0 | 0 | 105.8 | V55 R59 | V55-P57 WeakPolarHBondContact O-CD 3.04Å; V55-P57 VanDerWaalsContact O-N 3.15Å; P57-R59 PolarHBondContact O-N 3.46Å |
| 58 | V | 46.4 | Very low | 49.3 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | | | trans | -65.2 | 82.3 | 163.1 | 175.6 | 0 | 0 | 0 | 0 | 105.9 | Y56 S60 | Y56-V58 PolarHBondContact O-N 3.31Å; Y56-V58 VanDerWaalsContact O-N 3.14Å; V58-S60 VanDerWaalsContact C-N 3.26Å; V58-S60 PolarHBondContact O-N 3.17Å; V58-S60 VanDerWaalsContact O-N 3.15Å |
| 59 | R | 47.1 | Very low | 48.9 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 76% | 0.758 | 72% | 0.717 | S | S | * | * | | | trans | -79 | 91.2 | 162.9 | -126.2 | -173.7 | 166.7 | -129 | -1.4 | 104.2 | P57 T61 | P57-R59 PolarHBondContact O-N 3.46Å; R59-T61 HydrophobicContact CB-CG2 3.88Å; R59-T61 VanDerWaalsContact CD-CG2 3.45Å; R59-T61 HydrophobicContact CG-CG2 3.6Å; R59-T61 PolarHBondContact O-N 3.14Å; R59-T61 PolarHBondContact O-OG1 2.97Å |
| 60 | S | 45.9 | Very low | 48.8 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | | | trans | -61.1 | 84.1 | 154.2 | -67.3 | 0 | 0 | 0 | 0 | 106.8 | V58 Y62 | V58-S60 VanDerWaalsContact C-N 3.26Å; V58-S60 PolarHBondContact O-N 3.17Å; V58-S60 VanDerWaalsContact O-N 3.15Å; S60-Y62 VanDerWaalsContact C-N 3.34Å |
| 61 | T | 47.5 | Very low | 48.7 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 49% | 0.491 | 73% | 0.73 | S | S | . | * | | | trans | -97.5 | 22.8 | 177.5 | 32.3 | 0 | 0 | 0 | 0 | 112.8 | R59 P63 | R59-T61 HydrophobicContact CB-CG2 3.88Å; R59-T61 VanDerWaalsContact CD-CG2 3.45Å; R59-T61 HydrophobicContact CG-CG2 3.6Å; R59-T61 PolarHBondContact O-N 3.14Å; R59-T61 PolarHBondContact O-OG1 2.97Å; T61-P63 WeakPolarHBondContact O-CD 3.44Å |
| 62 | Y | 33.9 | Very low | 49.5 | Very low | 205 Ų | 205 | 134.5 Ų | 134.5 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | | | trans | -80.7 | 107.6 | 155 | -94.4 | -85.1 | 0 | 0 | 0 | 107.6 | S60 Q64 | S60-Y62 VanDerWaalsContact C-N 3.34Å; Y62-Q64 VanDerWaalsContact C-N 3.3Å; Y62-Q64 PolarHBondContact O-N 3.18Å |
| 63 | P | 46.8 | Very low | 49.5 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | | | trans | -60.8 | 107.3 | 150.1 | 28 | -30.1 | 0 | 0 | 0 | 105.4 | T61 Q65 | T61-P63 WeakPolarHBondContact O-CD 3.44Å; P63-Q65 VanDerWaalsContact C-N 3.28Å; P63-Q65 PolarHBondContact O-N 3.09Å |
| 64 | Q | 44.9 | Very low | 49.4 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | | | trans | -61.1 | 105.6 | 158 | -78.6 | -67.7 | -17.9 | 0 | 0 | 105.2 | Y62 S66 | Y62-Q64 VanDerWaalsContact C-N 3.3Å; Y62-Q64 PolarHBondContact O-N 3.18Å; Q64-S66 PolarHBondContact O-N 3.32Å |
| 65 | Q | 51.3 | Low | 49.3 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | | | trans | -64 | 87.9 | 172.5 | -76.4 | 174.9 | -42.8 | 0 | 0 | 107.8 | P63 P67 | P63-Q65 VanDerWaalsContact C-N 3.28Å; P63-Q65 PolarHBondContact O-N 3.09Å; Q65-P67 VanDerWaalsContact C-CD 3.47Å; Q65-P67 VanDerWaalsContact O-CD 3.28Å; Q65-P67 WeakPolarHBondContact O-CD 3.22Å |
| 66 | S | 47.3 | Very low | 49.1 | Very low | 88 Ų | 88 | 139.5 Ų | 139.5 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | | | trans | -102.9 | 90.4 | 155.8 | -83.2 | 0 | 0 | 0 | 0 | 107 | Q64 Y68 A69 | Q64-S66 PolarHBondContact O-N 3.32Å; S66-Y68 PolarHBondContact O-N 3.2Å; S66-A69 PolarHBondContact O-N 2.82Å |
| 67 | P | 55.2 | Low | 49.9 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 2.7 | -177.3 | 22.8 | -30.9 | 0 | 0 | 0 | 114.6 | Q65 | Q65-P67 VanDerWaalsContact C-CD 3.47Å; Q65-P67 VanDerWaalsContact O-CD 3.28Å; Q65-P67 WeakPolarHBondContact O-CD 3.22Å |
| 68 | Y | 47.7 | Very low | 49.8 | Very low | 215 Ų | 215 | 143.7 Ų | 143.7 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -8.2 | -175.3 | -141.4 | -95.2 | 0 | 0 | 0 | 115.3 | S66 | S66-Y68 PolarHBondContact O-N 3.2Š|
| 69 | A | 47.9 | Very low | 49.8 | Very low | 76 Ų | 76 | 139.6 Ų | 139.6 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -88.6 | -16.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S66 A71 | S66-A69 PolarHBondContact O-N 2.82Å; A69-A71 PolarHBondContact O-N 2.87Å |
| 70 | Q | 49.2 | Very low | 49.8 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -7.4 | -169.9 | -161.7 | 66 | 99.2 | 0 | 0 | 114.3 | | |
| 71 | A | 55.3 | Low | 49.2 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -3.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | A69 | A69-A71 PolarHBondContact O-N 2.87Š|
| 72 | L | 59.1 | Low | 48.7 | Very low | 145 Ų | 145 | 149 Ų | 149 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -138.7 | 87.9 | -177.9 | -67 | 169.8 | 0 | 0 | 0 | 109.7 | | |
| 73 | I | 54.8 | Low | 49.5 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 80% | 0.795 | 78% | 0.775 | S | S | * | * | | | trans | -177.5 | 117.2 | 139.2 | -80.1 | 137.5 | 0 | 0 | 0 | 106.7 | | |
| 74 | P | 49.9 | Very low | 49.7 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | trans | -81 | 147 | 164.4 | 31.8 | -27 | 0 | 0 | 0 | 110 | | |
| 75 | S | 55.3 | Low | 50.4 | Low | 102 Ų | 102 | 145.4 Ų | 145.4 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | 81.6 | 140.4 | 160.5 | 78.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 76 | Q | 53.9 | Low | 50.9 | Low | 156 Ų | 156 | 144.9 Ų | 144.9 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | | | trans | 78.5 | 106.4 | 163 | -45.9 | -63.2 | 46.9 | 0 | 0 | 117.9 | | |
| 77 | Q | 54.8 | Low | 50.8 | Low | 193 Ų | 193 | 151.2 Ų | 151.2 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | | -172 | 92.6 | 103.1 | -93.8 | 165.1 | 28.9 | 0 | 0 | 110.2 | | |
| 78 | Q | 51.5 | Low | 51 | Low | 197 Ų | 197 | 149.2 Ų | 149.2 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | -61.4 | 126.1 | 148.8 | -72.9 | 171.8 | -16.1 | 0 | 0 | 107.4 | | |
| 79 | G | 46 | Very low | 51.4 | Low | 48 Ų | 48 | 143.2 Ų | 143.2 | 50% | 0.495 | 78% | 0.778 | S | S | . | * | | | trans | -145.7 | 102.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y81 | G79-Y81 WeakPolarHBondContact O-CD2 3.26Å; G79-Y81 PolarHBondContact O-N 3.07Å |
| 80 | T | 47.6 | Very low | 52 | Low | 149 Ų | 149 | 145 Ų | 145 | 91% | 0.914 | 78% | 0.783 | S | S | * | * | | | trans | -56.3 | 94.5 | 171 | 19.1 | 0 | 0 | 0 | 0 | 110.2 | Y82 | T80-Y82 PolarHBondContact O-N 3.18Š|
| 81 | Y | 34.2 | Very low | 52.6 | Low | 217 Ų | 217 | 141.9 Ų | 141.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | -79.6 | 107.8 | 169.2 | -73.6 | -82.8 | 0 | 0 | 0 | 109.1 | G79 T83 | G79-Y81 WeakPolarHBondContact O-CD2 3.26Å; G79-Y81 PolarHBondContact O-N 3.07Å; Y81-T83 PolarHBondContact O-N 3.13Å |
| 82 | Y | 37.1 | Very low | 53 | Low | 220 Ų | 220 | 144.9 Ų | 144.9 | 86% | 0.863 | 78% | 0.777 | S | S | * | * | | | trans | -40.6 | 116.3 | 163.7 | -111.1 | -101.4 | 0 | 0 | 0 | 110.3 | T80 Q84 | T80-Y82 PolarHBondContact O-N 3.18Å; Y82-Q84 PolarHBondContact O-N 2.86Å |
| 83 | T | 49 | Very low | 53.4 | Low | 129 Ų | 129 | 143.3 Ų | 143.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -82.1 | 110.5 | 171.9 | 50 | 0 | 0 | 0 | 0 | 108.3 | Y81 | Y81-T83 PolarHBondContact O-N 3.13Š|
| 84 | Q | 50.9 | Low | 54.2 | Low | 162 Ų | 162 | 141.4 Ų | 141.4 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | | | trans | -62.7 | 134.9 | 169.5 | -78.2 | -74.4 | 82.6 | 0 | 0 | 109.3 | Y82 L86 | Y82-Q84 PolarHBondContact O-N 2.86Å; Q84-L86 PolarHBondContact O-N 2.8Å; Q84-L86 VanDerWaalsContact O-N 3.13Å |
| 85 | P | 61.1 | Low | 54.6 | Low | 104 Ų | 104 | 143.3 Ų | 143.3 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | trans | -65 | 116.7 | 171.4 | 25.7 | -30.9 | 0 | 0 | 0 | 108.9 | Y87 | P85-Y87 PolarHBondContact O-N 3.14Š|
| 86 | L | 60.8 | Low | 55.2 | Low | 167 Ų | 167 | 146.5 Ų | 146.5 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -68.1 | 101.9 | 176.3 | -169.9 | 72.6 | 0 | 0 | 0 | 108.3 | Q84 A88 | Q84-L86 PolarHBondContact O-N 2.8Å; Q84-L86 VanDerWaalsContact O-N 3.13Å; L86-A88 PolarHBondContact O-N 2.85Å |
| 87 | Y | 46.4 | Very low | 55 | Low | 221 Ų | 221 | 145 Ų | 145 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | | | trans | -64.2 | 105.2 | 167.7 | -106.8 | -94.2 | 0 | 0 | 0 | 108 | P85 A89 | P85-Y87 PolarHBondContact O-N 3.14Å; Y87-A89 PolarHBondContact O-N 3.19Å |
| 88 | A | 57.7 | Low | 55.1 | Low | 86 Ų | 86 | 141.4 Ų | 141.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 121.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | L86 | L86-A88 PolarHBondContact O-N 2.85Š|
| 89 | A | 56.6 | Low | 55.1 | Low | 89 Ų | 89 | 138.2 Ų | 138.2 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 138.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y87 | Y87-A89 PolarHBondContact O-N 3.19Š|
| 90 | P | 60.5 | Low | 55.6 | Low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 144.5 | 174 | -22 | 31.6 | 0 | 0 | 0 | 110.9 | H92 | P90-H92 PolarHBondContact O-N 3.27Š|
| 91 | P | 61.8 | Low | 56 | Low | 121 Ų | 121 | 141.3 Ų | 141.3 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 124 | 177.5 | 24.4 | -32.4 | 0 | 0 | 0 | 109.6 | V93 | P91-V93 PolarHBondContact O-N 2.88Š|
| 92 | H | 64.7 | Low | 57.2 | Low | 154 Ų | 154 | 136.4 Ų | 136.4 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 122.2 | 178.9 | 49 | -95.7 | 0 | 0 | 0 | 109.4 | P90 I94 | P90-H92 PolarHBondContact O-N 3.27Å; H92-I94 PolarHBondContact O-N 3.45Å |
| 93 | V | 66.2 | Low | 58.2 | Low | 113 Ų | 113 | 133.1 Ų | 133.1 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | trans | -83.3 | 103.2 | 168.3 | -179.2 | 0 | 0 | 0 | 0 | 106.8 | P91 H95 | P91-V93 PolarHBondContact O-N 2.88Å; V93-H95 PolarHBondContact O-N 3.34Å |
| 94 | I | 72.9 | Confident | 58.5 | Low | 114 Ų | 114 | 129.5 Ų | 129.5 | 59% | 0.585 | 73% | 0.732 | S | S | * | * | | | trans | -76.1 | 112.9 | 172.6 | -68.8 | 156.6 | 0 | 0 | 0 | 107.8 | H92 H96 | H92-I94 PolarHBondContact O-N 3.45Å; I94-H96 PolarHBondContact O-N 2.8Å |
| 95 | H | 58.3 | Low | 58.8 | Low | 154 Ų | 154 | 130.2 Ų | 130.2 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | -83.1 | 106.3 | 166 | -62.3 | -88.5 | 0 | 0 | 0 | 108.2 | V93 T97 | V93-H95 PolarHBondContact O-N 3.34Å; H95-T97 PolarHBondContact O-N 3.35Å; H95-T97 VanDerWaalsContact O-N 3.13Å |
| 96 | H | 66.4 | Low | 58.5 | Low | 169 Ų | 169 | 130.8 Ų | 130.8 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | | | trans | -61.9 | 113.5 | 172.5 | -16 | -88.1 | 0 | 0 | 0 | 108.7 | I94 | I94-H96 PolarHBondContact O-N 2.8Š|
| 97 | T | 51.1 | Low | 57.9 | Low | 126 Ų | 126 | 127.2 Ų | 127.2 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | trans | -87.7 | 105 | 166.6 | 61.7 | 0 | 0 | 0 | 0 | 107.4 | H95 V99 | H95-T97 PolarHBondContact O-N 3.35Å; H95-T97 VanDerWaalsContact O-N 3.13Å; T97-V99 PolarHBondContact O-N 3.29Å |
| 98 | T | 56.7 | Low | 58.2 | Low | 116 Ų | 116 | 120.1 Ų | 120.1 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | | | trans | -73.6 | 108 | 167.5 | 57.3 | 0 | 0 | 0 | 0 | 107 | V100 | T98-V100 PolarHBondContact O-N 3.18Š|
| 99 | V | 51.2 | Low | 57.9 | Low | 130 Ų | 130 | 124.9 Ų | 124.9 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | | | trans | -68.8 | 88.1 | 161.2 | -177.8 | 0 | 0 | 0 | 0 | 106 | T97 Q101 | T97-V99 PolarHBondContact O-N 3.29Å; V99-Q101 PolarHBondContact O-N 2.72Å; V99-Q101 VanDerWaalsContact O-N 3.14Å |
| 100 | V | 56.6 | Low | 57.7 | Low | 103 Ų | 103 | 130.4 Ų | 130.4 | 62% | 0.624 | 74% | 0.735 | S | S | * | * | | | trans | -64.2 | 112.8 | 165.8 | -178.6 | 0 | 0 | 0 | 0 | 105.1 | T98 P102 | T98-V100 PolarHBondContact O-N 3.18Å; V100-P102 WeakPolarHBondContact O-CD 3.14Å; V100-P102 WeakPolarHBondContact O-CG 3.09Å; V100-P102 VanDerWaalsContact O-N 3.1Å |
| 101 | Q | 56.1 | Low | 57.4 | Low | 159 Ų | 159 | 129.2 Ų | 129.2 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | trans | -61.2 | 109 | 164.2 | -76.7 | 175.2 | -21.2 | 0 | 0 | 106.6 | V99 N103 | V99-Q101 PolarHBondContact O-N 2.72Å; V99-Q101 VanDerWaalsContact O-N 3.14Å; Q101-N103 PolarHBondContact O-N 3.15Å |
| 102 | P | 58.6 | Low | 57.5 | Low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -2.3 | -166.7 | -15.3 | 30.2 | 0 | 0 | 0 | 114.1 | V100 | V100-P102 WeakPolarHBondContact O-CD 3.14Å; V100-P102 WeakPolarHBondContact O-CG 3.09Å; V100-P102 VanDerWaalsContact O-N 3.1Å |
| 103 | N | 59.6 | Low | 57.4 | Low | 150 Ų | 150 | 127.3 Ų | 127.3 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | 16 | -170.4 | -63.7 | 84.1 | 0 | 0 | 0 | 114.7 | Q101 M105 | Q101-N103 PolarHBondContact O-N 3.15Å; N103-M105 PolarHBondContact O-N 2.79Å |
| 104 | G | 55.3 | Low | 57.5 | Low | 54 Ų | 54 | 129.6 Ų | 129.6 | 56% | 0.557 | 74% | 0.743 | S | S | * | * | | | trans | -79.2 | 95.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 105 | M | 56.7 | Low | 57.3 | Low | 177 Ų | 177 | 129.1 Ų | 129.1 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | | | trans | -54.4 | 126.4 | 167 | -69.8 | -73.7 | -174.1 | 0 | 0 | 108.7 | N103 A107 | N103-M105 PolarHBondContact O-N 2.79Å; M105-A107 PolarHBondContact O-N 3.33Å |
| 106 | P | 54.3 | Low | 58 | Low | 116 Ų | 116 | 127.5 Ų | 127.5 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | | | trans | -64.4 | 116 | 169.6 | 25.1 | -29.6 | 0 | 0 | 0 | 107.4 | A108 | P106-A108 PolarHBondContact O-N 3.26Š|
| 107 | A | 47.9 | Very low | 57.7 | Low | 91 Ų | 91 | 125 Ų | 125 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | -63.4 | 94.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | M105 M109 | M105-A107 PolarHBondContact O-N 3.33Å; A107-M109 PolarHBondContact O-N 3.1Å |
| 108 | A | 53 | Low | 58.1 | Low | 73 Ų | 73 | 130.4 Ų | 130.4 | 60% | 0.603 | 76% | 0.758 | S | S | * | * | | | trans | -65.2 | 88.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | P106 Y110 | P106-A108 PolarHBondContact O-N 3.26Å; A108-Y110 HydrophobicContact CB-CD2 3.7Å; A108-Y110 HydrophobicContact CB-CE2 3.73Å; A108-Y110 PolarHBondContact O-N 3.14Å |
| 109 | M | 52.1 | Low | 58.4 | Low | 185 Ų | 185 | 130 Ų | 130 | 91% | 0.911 | 76% | 0.757 | S | S | * | * | | | trans | -73.1 | 71.4 | 166.2 | -73.8 | -160.6 | 132.5 | 0 | 0 | 108.2 | A107 A111 | A107-M109 PolarHBondContact O-N 3.1Å; M109-A111 PolarHBondContact O-N 3.36Å |
| 110 | Y | 50.7 | Low | 58.6 | Low | 206 Ų | 206 | 131.7 Ų | 131.7 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 116.9 | 156.7 | -73.7 | -79 | 0 | 0 | 0 | 106.4 | A108 | A108-Y110 HydrophobicContact CB-CD2 3.7Å; A108-Y110 HydrophobicContact CB-CE2 3.73Å; A108-Y110 PolarHBondContact O-N 3.14Å |
| 111 | A | 55.5 | Low | 58.6 | Low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 133.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | M109 | M109-A111 PolarHBondContact O-N 3.36Š|
| 112 | P | 64.4 | Low | 58.5 | Low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 136.9 | 178.8 | 20.9 | -29.9 | 0 | 0 | 0 | 109.5 | I114 | P112-I114 PolarHBondContact O-N 3.29Å; P112-I114 VanDerWaalsContact O-N 3.1Å |
| 113 | P | 62.7 | Low | 58.2 | Low | 128 Ų | 128 | 128.7 Ų | 128.7 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 120.2 | 175.1 | -23 | 32 | 0 | 0 | 0 | 109.8 | | |
| 114 | I | 67.8 | Low | 57.8 | Low | 161 Ų | 161 | 129.9 Ų | 129.9 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 122.5 | 172.9 | -58.5 | 173.2 | 0 | 0 | 0 | 106.5 | P112 | P112-I114 PolarHBondContact O-N 3.29Å; P112-I114 VanDerWaalsContact O-N 3.1Å |
| 115 | P | 69 | Low | 57.7 | Low | 104 Ų | 104 | 130.4 Ų | 130.4 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 140.8 | -180 | 25.4 | -32.7 | 0 | 0 | 0 | 109.9 | S117 | P115-S117 PolarHBondContact O-N 3.06Š|
| 116 | P | 72.4 | Confident | 57.8 | Low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 139.1 | 174.6 | 24.5 | -32.4 | 0 | 0 | 0 | 110.2 | R118 | P116-R118 PolarHBondContact O-N 3.02Å; P116-R118 VanDerWaalsContact O-N 3.11Å |
| 117 | S | 60.3 | Low | 57.6 | Low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -59.8 | 115 | 173.9 | 42.1 | 0 | 0 | 0 | 0 | 109.2 | P115 P119 | P115-S117 PolarHBondContact O-N 3.06Å; S117-P119 WeakPolarHBondContact O-CD 2.99Å |
| 118 | R | 59.4 | Low | 58 | Low | 239 Ų | 239 | 131.6 Ų | 131.6 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | -65.9 | 122.6 | 173.9 | -74.3 | 177.6 | 159.1 | -151.5 | -4.3 | 108.7 | P116 N120 | P116-R118 PolarHBondContact O-N 3.02Å; P116-R118 VanDerWaalsContact O-N 3.11Å; R118-N120 PolarHBondContact O-N 3.13Å |
| 119 | P | 61.9 | Low | 58.1 | Low | 107 Ų | 107 | 131 Ų | 131 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | trans | -75.6 | 120.8 | 161.7 | 31.3 | -25.7 | 0 | 0 | 0 | 105.9 | S117 | S117-P119 WeakPolarHBondContact O-CD 2.99Š|
| 120 | N | 56.2 | Low | 57.9 | Low | 167 Ų | 167 | 128 Ų | 128 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | | | trans | 159.9 | 114.3 | 144.6 | -77.8 | -33.1 | 0 | 0 | 0 | 110.6 | R118 | R118-N120 PolarHBondContact O-N 3.13Š|
| 121 | G | 57.1 | Low | 58 | Low | 70 Ų | 70 | 124.6 Ų | 124.6 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 149.9 | 99 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 122 | V | 52.7 | Low | 57.7 | Low | 130 Ų | 130 | 128 Ų | 128 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | | | trans | 63.5 | 101.4 | 162.1 | -77.9 | 0 | 0 | 0 | 0 | 119.7 | M124 | V122-M124 VanDerWaalsContact C-N 3.35Å; V122-M124 PolarHBondContact O-N 3.18Å |
| 123 | T | 53.1 | Low | 57.2 | Low | 114 Ų | 114 | 127.2 Ų | 127.2 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | trans | -58.2 | 93.3 | 147.5 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | G125 M126 | T123-G125 PolarHBondContact O-N 3.41Å; T123-M126 HydrophobicContact CG2-CE 4.36Å; T123-M126 HydrophobicContact CG2-CG 4.19Å |
| 124 | M | 50.6 | Low | 56.7 | Low | 175 Ų | 175 | 129.9 Ų | 129.9 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | | | trans | -81.9 | 104.6 | 162 | -72.3 | -71 | -79.3 | 0 | 0 | 108 | V122 | V122-M124 VanDerWaalsContact C-N 3.35Å; V122-M124 PolarHBondContact O-N 3.18Å |
| 125 | G | 53.5 | Low | 56.2 | Low | 64 Ų | 64 | 127.6 Ų | 127.6 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | trans | 100.6 | 67.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | T123 V127 | T123-G125 PolarHBondContact O-N 3.41Å; G125-V127 PolarHBondContact O-N 3.3Å; G125-V127 VanDerWaalsContact O-N 3.14Å |
| 126 | M | 58.3 | Low | 55.4 | Low | 173 Ų | 173 | 127.2 Ų | 127.2 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | | | trans | -74.4 | 85.5 | 142.8 | -72.5 | -170.7 | -150.5 | 0 | 0 | 107.7 | T123 A128 | T123-M126 HydrophobicContact CG2-CE 4.36Å; T123-M126 HydrophobicContact CG2-CG 4.19Å; M126-A128 PolarHBondContact O-N 2.94Å |
| 127 | V | 51 | Low | 54.3 | Low | 133 Ų | 133 | 125.1 Ų | 125.1 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | -78.9 | 108.4 | 153.6 | 161.3 | 0 | 0 | 0 | 0 | 105.5 | G125 G129 | G125-V127 PolarHBondContact O-N 3.3Å; G125-V127 VanDerWaalsContact O-N 3.14Å; V127-G129 PolarHBondContact O-N 3.01Å |
| 128 | A | 55.9 | Low | 54 | Low | 103 Ų | 103 | 125.7 Ų | 125.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -52.7 | 119.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | M126 | M126-A128 PolarHBondContact O-N 2.94Š|
| 129 | G | 56.2 | Low | 53.7 | Low | 61 Ų | 61 | 122.2 Ų | 122.2 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | | | trans | 155.8 | 104.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V127 | V127-G129 PolarHBondContact O-N 3.01Š|
| 130 | T | 48.2 | Very low | 53.3 | Low | 122 Ų | 122 | 124.8 Ų | 124.8 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | 89.1 | 92.7 | 165 | -30.9 | 0 | 0 | 0 | 0 | 115.8 | M132 | T130-M132 PolarHBondContact O-N 2.83Å; T130-M132 VanDerWaalsContact O-N 3.13Å |
| 131 | T | 52.3 | Low | 53.2 | Low | 135 Ų | 135 | 123.5 Ų | 123.5 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | | | trans | -50.4 | 110.8 | 153.2 | -59.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 132 | M | 49 | Very low | 53.1 | Low | 157 Ų | 157 | 124.8 Ų | 124.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -93 | 103.5 | 157.8 | -66.5 | -170.7 | -175.6 | 0 | 0 | 107 | T130 M134 | T130-M132 PolarHBondContact O-N 2.83Å; T130-M132 VanDerWaalsContact O-N 3.13Å; M132-M134 PolarHBondContact O-N 3.16Å |
| 133 | A | 53.3 | Low | 53.5 | Low | 93 Ų | 93 | 124.5 Ų | 124.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -63.3 | 97.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | S135 | A133-S135 PolarHBondContact O-N 3.35Å; A133-S135 VanDerWaalsContact O-N 3.16Å |
| 134 | M | 52.9 | Low | 53.8 | Low | 183 Ų | 183 | 124.3 Ų | 124.3 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | | | trans | -75.2 | 105.1 | 169.5 | -77.6 | -176.2 | 169.1 | 0 | 0 | 108 | M132 | M132-M134 PolarHBondContact O-N 3.16Š|
| 135 | S | 56.3 | Low | 54.4 | Low | 113 Ų | 113 | 121.6 Ų | 121.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -52.5 | 142.9 | -178.7 | -178.2 | 0 | 0 | 0 | 0 | 112.8 | A133 | A133-S135 PolarHBondContact O-N 3.35Å; A133-S135 VanDerWaalsContact O-N 3.16Å |
| 136 | A | 52.4 | Low | 55.2 | Low | 97 Ų | 97 | 122.4 Ų | 122.4 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -49.1 | 140.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 137 | G | 49.1 | Very low | 55.5 | Low | 76 Ų | 76 | 120.5 Ų | 120.5 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | -163.6 | 58.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L139 | G137-L139 PolarHBondContact O-N 3.11Š|
| 138 | T | 55 | Low | 56.3 | Low | 128 Ų | 128 | 119.9 Ų | 119.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -69.1 | 116.9 | 160.1 | 51.4 | 0 | 0 | 0 | 0 | 107 | | |
| 139 | L | 53.4 | Low | 57.2 | Low | 165 Ų | 165 | 118.4 Ų | 118.4 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | 161.8 | 91.8 | 148.1 | -87.3 | 161.8 | 0 | 0 | 0 | 107.4 | G137 | G137-L139 PolarHBondContact O-N 3.11Š|
| 140 | L | 53.9 | Low | 57.7 | Low | 162 Ų | 162 | 121.1 Ų | 121.1 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | 178.1 | 51.6 | 150.9 | -92.9 | 171.7 | 0 | 0 | 0 | 108.6 | S142 | L140-S142 PolarHBondContact O-N 2.99Š|
| 141 | T | 53.4 | Low | 58.3 | Low | 140 Ų | 140 | 122.9 Ų | 122.9 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | -89.8 | 85.6 | 158 | 45.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 142 | S | 54.2 | Low | 58.8 | Low | 96 Ų | 96 | 124.8 Ų | 124.8 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 129.2 | 163.5 | -52.6 | 0 | 0 | 0 | 0 | 107.8 | L140 S144 | L140-S142 PolarHBondContact O-N 2.99Å; S142-S144 PolarHBondContact O-N 3.48Å; S142-S144 VanDerWaalsContact O-N 3.14Å |
| 143 | P | 60.8 | Low | 59.8 | Low | 125 Ų | 125 | 123.2 Ų | 123.2 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 123.8 | 172.8 | 21.9 | -29.5 | 0 | 0 | 0 | 108.4 | | |
| 144 | S | 60 | Low | 60.9 | Low | 110 Ų | 110 | 124.7 Ų | 124.7 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 132.9 | 171.1 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | S142 A146 | S142-S144 PolarHBondContact O-N 3.48Å; S142-S144 VanDerWaalsContact O-N 3.14Å; S144-A146 PolarHBondContact O-N 3.47Å |
| 145 | P | 63.2 | Low | 62 | Low | 118 Ų | 118 | 123.1 Ų | 123.1 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133.2 | 176.6 | -19.6 | 29.6 | 0 | 0 | 0 | 110.1 | | |
| 146 | A | 70.5 | Confident | 62.8 | Low | 80 Ų | 80 | 123.5 Ų | 123.5 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 142.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | S144 V148 | S144-A146 PolarHBondContact O-N 3.47Å; A146-V148 PolarHBondContact O-N 2.88Å; A146-V148 VanDerWaalsContact O-N 3.08Å |
| 147 | P | 64.3 | Low | 64.1 | Low | 134 Ų | 134 | 125.7 Ų | 125.7 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 116.7 | 175.9 | -20.7 | 31 | 0 | 0 | 0 | 110.2 | A149 | P147-A149 PolarHBondContact O-N 3.12Š|
| 148 | V | 68.7 | Low | 64.2 | Low | 119 Ų | 119 | 130.9 Ų | 130.9 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.7 | 174.3 | 177.4 | 0 | 0 | 0 | 0 | 107.9 | A146 | A146-V148 PolarHBondContact O-N 2.88Å; A146-V148 VanDerWaalsContact O-N 3.08Å |
| 149 | A | 75.1 | Confident | 64.9 | Low | 72 Ų | 72 | 134.6 Ų | 134.6 | 60% | 0.595 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 142.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P147 H151 | P147-A149 PolarHBondContact O-N 3.12Å; A149-H151 PolarHBondContact O-N 3.12Å; A149-H151 VanDerWaalsContact O-N 3.12Å; A149-H151 PolarHBondContact O-ND1 3.41Å; A149-H151 VanDerWaalsContact O-ND1 3.12Å |
| 150 | P | 65.1 | Low | 65.9 | Low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -63 | 119.2 | 178.6 | 24.3 | -31.4 | 0 | 0 | 0 | 109.6 | Q152 | P150-Q152 PolarHBondContact O-N 3.47Š|
| 151 | H | 60.8 | Low | 66.5 | Low | 158 Ų | 158 | 128.3 Ų | 128.3 | 73% | 0.731 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 121.4 | 174.4 | -68.2 | 61.7 | 0 | 0 | 0 | 107.9 | A149 V153 | A149-H151 PolarHBondContact O-N 3.12Å; A149-H151 VanDerWaalsContact O-N 3.12Å; A149-H151 PolarHBondContact O-ND1 3.41Å; A149-H151 VanDerWaalsContact O-ND1 3.12Å; H151-V153 PolarHBondContact O-N 3.42Å; H151-V153 VanDerWaalsContact O-N 3.16Å |
| 152 | Q | 63.8 | Low | 67.5 | Low | 175 Ų | 175 | 124.7 Ų | 124.7 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -66.8 | 113 | 175.1 | -65.9 | -92.4 | -78.1 | 0 | 0 | 108.3 | P150 T154 | P150-Q152 PolarHBondContact O-N 3.47Å; Q152-T154 PolarHBondContact O-N 3.08Å; Q152-T154 VanDerWaalsContact O-N 3.14Å |
| 153 | V | 69.9 | Low | 68.4 | Low | 125 Ų | 125 | 126.2 Ų | 126.2 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | | | trans | -79.6 | 94.5 | 173.3 | -179 | 0 | 0 | 0 | 0 | 107.7 | H151 M155 | H151-V153 PolarHBondContact O-N 3.42Å; H151-V153 VanDerWaalsContact O-N 3.16Å; V153-M155 PolarHBondContact O-N 3.01Å |
| 154 | T | 75.6 | Confident | 68.7 | Low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | | | trans | -75.2 | 113 | 170.7 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | Q152 | Q152-T154 PolarHBondContact O-N 3.08Å; Q152-T154 VanDerWaalsContact O-N 3.14Å |
| 155 | M | 77.6 | Confident | 68.9 | Low | 150 Ų | 150 | 125.3 Ų | 125.3 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | | | trans | -67.8 | 130.2 | 174.3 | -68 | -65.6 | -157.4 | 0 | 0 | 109.9 | V153 T157 | V153-M155 PolarHBondContact O-N 3.01Å; M155-T157 PolarHBondContact O-N 3.43Å |
| 156 | P | 73.2 | Confident | 68.2 | Low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | | | trans | -60.6 | 126.6 | 172.6 | -18 | 29 | 0 | 0 | 0 | 109.9 | Y158 | P156-Y158 PolarHBondContact O-N 3.34Š|
| 157 | T | 79.1 | Confident | 67.8 | Low | 142 Ų | 142 | 129.5 Ų | 129.5 | 87% | 0.871 | 74% | 0.739 | S | S | * | * | | | trans | -67.6 | 115.7 | 171.6 | -64.8 | 0 | 0 | 0 | 0 | 108.5 | M155 R159 | M155-T157 PolarHBondContact O-N 3.43Å; T157-R159 PolarHBondContact O-N 3.14Å |
| 158 | Y | 51 | Low | 67.5 | Low | 186 Ų | 186 | 132.8 Ų | 132.8 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | | | trans | -66.6 | 116 | 177.9 | -175.5 | -102.2 | 0 | 0 | 0 | 109.8 | P156 | P156-Y158 PolarHBondContact O-N 3.34Š|
| 159 | R | 69.3 | Low | 67.5 | Low | 206 Ų | 206 | 132.5 Ų | 132.5 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 127.7 | 171.8 | -166.2 | 176.8 | -169.6 | -97.7 | 3.8 | 108.1 | T157 | T157-R159 PolarHBondContact O-N 3.14Š|
| 160 | P | 73.6 | Confident | 67 | Low | 94 Ų | 94 | 133.9 Ų | 133.9 | 61% | 0.61 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 142.6 | 178.6 | 21.4 | -30.9 | 0 | 0 | 0 | 110.8 | G162 | P160-G162 PolarHBondContact O-N 3.14Š|
| 161 | P | 67.8 | Low | 66.9 | Low | 101 Ų | 101 | 134.2 Ų | 134.2 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 129.5 | 174.8 | -22.2 | 31.7 | 0 | 0 | 0 | 110.1 | | |
| 162 | G | 74 | Confident | 67.1 | Low | 63 Ų | 63 | 134.4 Ų | 134.4 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 142.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P160 P164 | P160-G162 PolarHBondContact O-N 3.14Å; G162-P164 WeakPolarHBondContact O-CD 3.28Å |
| 163 | T | 73.7 | Confident | 66.5 | Low | 129 Ų | 129 | 141.6 Ų | 141.6 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 121.9 | 178.2 | -43.1 | 0 | 0 | 0 | 0 | 110.4 | S165 | T163-S165 PolarHBondContact O-N 3.42Å; T163-S165 VanDerWaalsContact O-N 3.08Å |
| 164 | P | 65.6 | Low | 66.4 | Low | 100 Ų | 100 | 142.5 Ų | 142.5 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | trans | -69.6 | 109 | 176.6 | 25 | -29.7 | 0 | 0 | 0 | 109.7 | G162 Y166 | G162-P164 WeakPolarHBondContact O-CD 3.28Å; P164-Y166 HydrophobicContact CB-CD2 4.32Å; P164-Y166 HydrophobicContact CB-CE2 4.25Å; P164-Y166 PolarHBondContact O-N 3.41Å |
| 165 | S | 65.1 | Low | 65.9 | Low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -82.4 | 96.8 | 169.3 | -68.7 | 0 | 0 | 0 | 0 | 108.8 | T163 S167 | T163-S165 PolarHBondContact O-N 3.42Å; T163-S165 VanDerWaalsContact O-N 3.08Å; S165-S167 PolarHBondContact O-N 3.39Å; S165-S167 VanDerWaalsContact O-N 3.09Å |
| 166 | Y | 49.1 | Very low | 65.2 | Low | 187 Ų | 187 | 143.1 Ų | 143.1 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -73.4 | 94.8 | 168.9 | -87.8 | -90.6 | 0 | 0 | 0 | 109.1 | P164 Y168 | P164-Y166 HydrophobicContact CB-CD2 4.32Å; P164-Y166 HydrophobicContact CB-CE2 4.25Å; P164-Y166 PolarHBondContact O-N 3.41Å; Y166-Y168 PolarHBondContact O-N 3.2Å |
| 167 | S | 61.3 | Low | 64.8 | Low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | trans | -85.2 | 104.8 | 166.6 | -168.3 | 0 | 0 | 0 | 0 | 108.3 | S165 V169 | S165-S167 PolarHBondContact O-N 3.39Å; S165-S167 VanDerWaalsContact O-N 3.09Å; S167-V169 VanDerWaalsContact C-N 3.35Å; S167-V169 PolarHBondContact O-N 2.95Å |
| 168 | Y | 57.4 | Low | 63.9 | Low | 203 Ų | 203 | 144.5 Ų | 144.5 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | | | trans | -73.1 | 92.1 | 171.1 | -79.4 | -86.7 | 0 | 0 | 0 | 108.8 | Y166 P170 | Y166-Y168 PolarHBondContact O-N 3.2Å; Y168-P170 WeakPolarHBondContact O-CD 3.42Å |
| 169 | V | 68.8 | Low | 64.7 | Low | 113 Ų | 113 | 141.7 Ų | 141.7 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | trans | -83.9 | 115 | 162.2 | -175.2 | 0 | 0 | 0 | 0 | 106.8 | S167 S171 | S167-V169 VanDerWaalsContact C-N 3.35Å; S167-V169 PolarHBondContact O-N 2.95Å; V169-S171 PolarHBondContact O-N 3.13Å |
| 170 | P | 65.9 | Low | 64.4 | Low | 101 Ų | 101 | 137.1 Ų | 137.1 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | | | trans | -66.3 | 132 | 176.9 | 24.6 | -30.5 | 0 | 0 | 0 | 110.4 | Y168 Q172 | Y168-P170 WeakPolarHBondContact O-CD 3.42Å; P170-Q172 PolarHBondContact O-N 3.16Å |
| 171 | S | 61.8 | Low | 63.7 | Low | 125 Ų | 125 | 140.5 Ų | 140.5 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -63.9 | 121.7 | 169.2 | -73 | 0 | 0 | 0 | 0 | 109.2 | V169 | V169-S171 PolarHBondContact O-N 3.13Š|
| 172 | Q | 65.6 | Low | 63.4 | Low | 162 Ų | 162 | 143.8 Ų | 143.8 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | -110 | 76.3 | 177.3 | 42.5 | -178.7 | -57.4 | 0 | 0 | 108.8 | P170 | P170-Q172 PolarHBondContact O-N 3.16Š|
| 173 | W | 52.1 | Low | 62.4 | Low | 327 Ų | 327 | 151.1 Ų | 151.1 | 100% | 1.239 | 79% | 0.789 | S | S | * | * | | | trans | -155.8 | 0 | 162.7 | -71.7 | 106.3 | 0 | 0 | 0 | 109.3 | | |