| 1 | M | 45.1 | Very low | 52.8 | Low | 233 Ų | 233 | 146.7 Ų | 146.7 | 100% | 1.148 | 84% | 0.844 | S | S | * | * | | | | 0 | 108.6 | 0 | -55.3 | -160.7 | 168.9 | 0 | 0 | 104.8 | | |
| 2 | D | 42 | Very low | 52.8 | Low | 158 Ų | 158 | 144.3 Ų | 144.3 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | | | cis | -142.9 | 140 | 14.2 | -84 | -60.4 | 0 | 0 | 0 | 109 | | |
| 3 | A | 52.6 | Low | 53 | Low | 103 Ų | 103 | 143.5 Ų | 143.5 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | trans | -97.7 | 116.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 4 | V | 47.2 | Very low | 53.7 | Low | 126 Ų | 126 | 141.9 Ų | 141.9 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | | | trans | -75.5 | 123.4 | 168.3 | 172.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 5 | S | 59.9 | Low | 54.2 | Low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -128.9 | 91.7 | 171.7 | -163.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 6 | W | 53.8 | Low | 54.4 | Low | 237 Ų | 237 | 139.4 Ų | 139.4 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | trans | -92.8 | 103.4 | 159.2 | -69.1 | 97.3 | 0 | 0 | 0 | 106.8 | P8 | W6-P8 WeakPolarHBondContact O-CD 3.46Š|
| 7 | A | 57.8 | Low | 55.3 | Low | 85 Ų | 85 | 137.5 Ų | 137.5 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | trans | -99.4 | 112.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | G9 | A7-G9 PolarHBondContact O-N 2.88Š|
| 8 | P | 54 | Low | 55.9 | Low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.3 | 166 | -12 | 27.8 | 0 | 0 | 0 | 108.3 | W6 R10 | W6-P8 WeakPolarHBondContact O-CD 3.46Å; P8-R10 PolarHBondContact O-N 2.93Å |
| 9 | G | 52.5 | Low | 55.9 | Low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56 | 129 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A7 | A7-G9 PolarHBondContact O-N 2.88Š|
| 10 | R | 59.8 | Low | 56.5 | Low | 235 Ų | 235 | 135.9 Ų | 135.9 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 140.4 | 177.3 | -88.5 | 175.6 | 165.8 | -98.4 | 1.2 | 111.4 | P8 S12 | P8-R10 PolarHBondContact O-N 2.93Å; R10-S12 PolarHBondContact O-N 3.32Å |
| 11 | P | 56.6 | Low | 56.6 | Low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 119.3 | 164.9 | 28.6 | -29.6 | 0 | 0 | 0 | 108.4 | | |
| 12 | S | 52.5 | Low | 57.2 | Low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 135.3 | 171.3 | 35.2 | 0 | 0 | 0 | 0 | 110.3 | R10 | R10-S12 PolarHBondContact O-N 3.32Š|
| 13 | H | 55 | Low | 57.8 | Low | 135 Ų | 135 | 132.2 Ų | 132.2 | 63% | 0.625 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 140.8 | -172.7 | -170.1 | -87.9 | 0 | 0 | 0 | 113.2 | D15 | H13-D15 VanDerWaalsContact C-N 3.33Å; H13-D15 IonicContact CE1-OD2 3.28Å; H13-D15 PolarHBondContact CE1-OD2 3.4Å; H13-D15 VanDerWaalsContact CE1-OD2 3.28Å; H13-D15 PolarHBondContact ND1-N 3.11Å; H13-D15 IonicContact ND1-OD2 3.94Å; H13-D15 PolarHBondContact O-N 3.47Å |
| 14 | P | 63.7 | Low | 57.5 | Low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -5.4 | -171.1 | 28.6 | -34.4 | 0 | 0 | 0 | 116.5 | | |
| 15 | D | 60.7 | Low | 57.7 | Low | 130 Ų | 130 | 133.5 Ų | 133.5 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 12 | -173.7 | -77.3 | -47.6 | 0 | 0 | 0 | 116.7 | H13 P17 | H13-D15 VanDerWaalsContact C-N 3.33Å; H13-D15 IonicContact CE1-OD2 3.28Å; H13-D15 PolarHBondContact CE1-OD2 3.4Å; H13-D15 VanDerWaalsContact CE1-OD2 3.28Å; H13-D15 PolarHBondContact ND1-N 3.11Å; H13-D15 IonicContact ND1-OD2 3.94Å; H13-D15 PolarHBondContact O-N 3.47Å; D15-P17 WeakPolarHBondContact O-CD 3.32Å |
| 16 | T | 58 | Low | 57.1 | Low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | | | trans | -97.8 | 104.9 | 176.1 | -51.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 17 | P | 68.5 | Low | 57 | Low | 107 Ų | 107 | 125.2 Ų | 125.2 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | trans | -62 | 136.6 | 172.3 | 25 | -31.8 | 0 | 0 | 0 | 109.2 | D15 N19 | D15-P17 WeakPolarHBondContact O-CD 3.32Å; P17-N19 PolarHBondContact O-N 3.46Å |
| 18 | P | 66.4 | Low | 56.6 | Low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | trans | -60.5 | 125.3 | 179.1 | 24.7 | -31.9 | 0 | 0 | 0 | 108.8 | I20 | P18-I20 PolarHBondContact O-N 3.25Š|
| 19 | N | 56.8 | Low | 56.7 | Low | 100 Ų | 100 | 133.6 Ų | 133.6 | 54% | 0.535 | 78% | 0.78 | S | S | . | * | | | trans | -61.2 | 102.5 | 175.5 | 178.8 | 3.8 | 0 | 0 | 0 | 109.1 | P17 Y21 | P17-N19 PolarHBondContact O-N 3.46Å; N19-Y21 PolarHBondContact O-N 2.84Å; N19-Y21 VanDerWaalsContact O-N 3.09Å; N19-Y21 WeakPolarHBondContact OD1-CA 3.32Å; N19-Y21 WeakPolarHBondContact OD1-CB 3.11Å; N19-Y21 PolarHBondContact OD1-N 3.06Å |
| 20 | I | 67.3 | Low | 56.9 | Low | 165 Ų | 165 | 138.9 Ų | 138.9 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 2.2 | 176.9 | 56.9 | 171 | 0 | 0 | 0 | 113.5 | P18 | P18-I20 PolarHBondContact O-N 3.25Š|
| 21 | Y | 58.4 | Low | 56.3 | Low | 205 Ų | 205 | 137.3 Ų | 137.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 22.6 | -176.2 | -126.7 | -94.2 | 0 | 0 | 0 | 113.3 | N19 G23 | N19-Y21 PolarHBondContact O-N 2.84Å; N19-Y21 VanDerWaalsContact O-N 3.09Å; N19-Y21 WeakPolarHBondContact OD1-CA 3.32Å; N19-Y21 WeakPolarHBondContact OD1-CB 3.11Å; N19-Y21 PolarHBondContact OD1-N 3.06Å; Y21-G23 PolarHBondContact O-N 2.89Å |
| 22 | E | 58.7 | Low | 56 | Low | 173 Ų | 173 | 134.1 Ų | 134.1 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | trans | -79.8 | 67.6 | 174.6 | -155.6 | 167.7 | -142.6 | 0 | 0 | 110.8 | | |
| 23 | G | 53.2 | Low | 56.1 | Low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -134.4 | 15.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y21 L25 | Y21-G23 PolarHBondContact O-N 2.89Å; G23-L25 PolarHBondContact O-N 2.96Å |
| 24 | G | 47.6 | Very low | 55.4 | Low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -77.2 | 112 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | G26 | G24-G26 PolarHBondContact O-N 2.97Š|
| 25 | L | 51.8 | Low | 54.8 | Low | 186 Ų | 186 | 132.8 Ų | 132.8 | 97% | 0.974 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 11.5 | 99 | 154 | -59 | 169.9 | 0 | 0 | 0 | 116.2 | G23 | G23-L25 PolarHBondContact O-N 2.96Š|
| 26 | G | 46.4 | Very low | 54.3 | Low | 79 Ų | 79 | 135.8 Ų | 135.8 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | | | trans | 127.4 | 49.8 | 159 | 0 | 0 | 0 | 0 | 0 | 117.1 | G24 | G24-G26 PolarHBondContact O-N 2.97Š|
| 27 | A | 51.5 | Low | 54.2 | Low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -97.8 | 99.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q29 | A27-Q29 VanDerWaalsContact C-N 3.33Å; A27-Q29 PolarHBondContact O-N 2.85Å |
| 28 | Q | 49.2 | Very low | 53.7 | Low | 195 Ų | 195 | 133.4 Ų | 133.4 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | | | trans | -54.2 | 88.1 | 168.4 | -178.6 | -161.9 | -6.2 | 0 | 0 | 109.9 | | |
| 29 | Q | 56.9 | Low | 53.6 | Low | 190 Ų | 190 | 137.3 Ų | 137.3 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -87.2 | 131.5 | 167.4 | -103.7 | -156.2 | -36.6 | 0 | 0 | 110.7 | A27 | A27-Q29 VanDerWaalsContact C-N 3.33Å; A27-Q29 PolarHBondContact O-N 2.85Å |
| 30 | Q | 56.4 | Low | 53.9 | Low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -50.8 | 140.2 | -168.7 | -64.6 | 177.5 | -54.2 | 0 | 0 | 113.9 | G32 | Q30-G32 PolarHBondContact O-N 3.09Š|
| 31 | Q | 46.6 | Very low | 54 | Low | 201 Ų | 201 | 138.2 Ų | 138.2 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | | | trans | -54.8 | 107 | 169.3 | -71 | 165.1 | -69.2 | 0 | 0 | 109.9 | | |
| 32 | G | 49.8 | Very low | 54.2 | Low | 60 Ų | 60 | 132.9 Ų | 132.9 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | | | trans | -74.6 | 157.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q30 S34 | Q30-G32 PolarHBondContact O-N 3.09Å; G32-S34 PolarHBondContact O-N 3.15Å |
| 33 | P | 55 | Low | 54.4 | Low | 131 Ų | 131 | 132.4 Ų | 132.4 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | -65.6 | 127.1 | 171.6 | 27.4 | -30.6 | 0 | 0 | 0 | 109.2 | A35 | P33-A35 PolarHBondContact O-N 3.35Š|
| 34 | S | 41.2 | Very low | 54.9 | Low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -57.5 | 97 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 111 | G32 Q36 | G32-S34 PolarHBondContact O-N 3.15Å; S34-Q36 VanDerWaalsContact C-N 3.32Å; S34-Q36 PolarHBondContact O-N 3.15Å |
| 35 | A | 50.9 | Low | 55.7 | Low | 97 Ų | 97 | 140.4 Ų | 140.4 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -84.5 | 78.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | P33 G37 | P33-A35 PolarHBondContact O-N 3.35Å; A35-G37 VanDerWaalsContact C-N 3.25Å; A35-G37 PolarHBondContact O-N 2.89Å |
| 36 | Q | 50.8 | Low | 56.2 | Low | 192 Ų | 192 | 140.5 Ų | 140.5 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | | | trans | -66.2 | 86.4 | 161.7 | -175.6 | 177.5 | -92.6 | 0 | 0 | 108 | S34 | S34-Q36 VanDerWaalsContact C-N 3.32Å; S34-Q36 PolarHBondContact O-N 3.15Å |
| 37 | G | 55.3 | Low | 57 | Low | 57 Ų | 57 | 143 Ų | 143 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | | | trans | -153 | 75.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A35 | A35-G37 VanDerWaalsContact C-N 3.25Å; A35-G37 PolarHBondContact O-N 2.89Å |
| 38 | S | 58.4 | Low | 57.7 | Low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | | | trans | 57.3 | 120.7 | 157.7 | 75.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 39 | K | 63.8 | Low | 58.4 | Low | 198 Ų | 198 | 144.1 Ų | 144.1 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | | | trans | -50.6 | 124 | 169.1 | -158.9 | 172.3 | -170.3 | 174.8 | 0 | 109.3 | K41 | K39-K41 PolarHBondContact O-N 3.42Š|
| 40 | P | 63.3 | Low | 58.8 | Low | 81 Ų | 81 | 137.2 Ų | 137.2 | 53% | 0.526 | 71% | 0.71 | S | S | . | * | | | trans | -63.3 | 109.6 | 175.7 | 24 | -30.8 | 0 | 0 | 0 | 107.7 | N42 F43 | P40-N42 PolarHBondContact O-N 2.9Å; P40-F43 PolarHBondContact O-N 2.86Å |
| 41 | K | 68.2 | Low | 59.3 | Low | 203 Ų | 203 | 132 Ų | 132 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -0.8 | 179.3 | -118.3 | 172.3 | -180 | 176 | 0 | 113.9 | K39 | K39-K41 PolarHBondContact O-N 3.42Š|
| 42 | N | 64 | Low | 60.2 | Low | 93 Ų | 93 | 125.5 Ų | 125.5 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -135.3 | 29.1 | -164.6 | -66.5 | -54.9 | 0 | 0 | 0 | 113.5 | P40 R44 L45 | P40-N42 PolarHBondContact O-N 2.9Å; N42-R44 PolarHBondContact O-N 2.84Å; N42-L45 HydrophobicContact CB-CB 4.3Å; N42-L45 HydrophobicContact CB-CD1 3.9Å; N42-L45 HydrophobicContact CB-CG 4.16Å; N42-L45 PolarHBondContact O-N 3.05Å; N42-L45 VanDerWaalsContact O-N 3.09Å; N42-L45 WeakPolarHBondContact OD1-CD1 3.39Å |
| 43 | F | 62.5 | Low | 61 | Low | 162 Ų | 162 | 129.6 Ų | 129.6 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -56.4 | -38.1 | 174 | -175 | -96 | 0 | 0 | 0 | 111.8 | P40 L45 R46 | P40-F43 PolarHBondContact O-N 2.86Å; F43-L45 PolarHBondContact O-N 2.62Å; F43-R46 PolarHBondContact O-N 2.76Å |
| 44 | R | 63.7 | Low | 61.6 | Low | 220 Ų | 220 | 132.9 Ų | 132.9 | 83% | 0.83 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -64.2 | -26 | 178.5 | -58.5 | -175.2 | 83.2 | -171.5 | 4.9 | 113.3 | N42 | N42-R44 PolarHBondContact O-N 2.84Š|
| 45 | L | 65 | Low | 62.9 | Low | 91 Ų | 91 | 132.9 Ų | 132.9 | 48% | 0.476 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -80.9 | -19 | -176.7 | -59.8 | -175 | 0 | 0 | 0 | 113.3 | N42 F43 H47 L48 | N42-L45 HydrophobicContact CB-CB 4.3Å; N42-L45 HydrophobicContact CB-CD1 3.9Å; N42-L45 HydrophobicContact CB-CG 4.16Å; N42-L45 PolarHBondContact O-N 3.05Å; N42-L45 VanDerWaalsContact O-N 3.09Å; N42-L45 WeakPolarHBondContact OD1-CD1 3.39Å; F43-L45 PolarHBondContact O-N 2.62Å; L45-H47 PolarHBondContact O-N 3.05Å; L45-L48 HydrophobicContact CD2-CD1 3.72Å; L45-L48 PolarHBondContact O-N 3.21Å |
| 46 | R | 62.5 | Low | 63.6 | Low | 188 Ų | 188 | 133 Ų | 133 | 71% | 0.709 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.9 | -29 | 175.3 | -67.5 | -169.2 | -178 | -148.4 | 1.8 | 111.8 | F43 | F43-R46 PolarHBondContact O-N 2.76Å |
| 47 | H | 62.4 | Low | 64.3 | Low | 130 Ų | 130 | 128.2 Ų | 128.2 | 60% | 0.602 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -78.9 | -21.7 | -179.7 | -165.4 | 54.6 | 0 | 0 | 0 | 113.9 | L45 R49 S50 | L45-H47 PolarHBondContact O-N 3.05Å; H47-R49 VanDerWaalsContact C-N 3.35Å; H47-S50 PolarHBondContact O-N 3.33Å; H47-S50 PolarHBondContact O-OG 2.9Å |
| 48 | L | 65.3 | Low | 64.3 | Low | 100 Ų | 100 | 132.3 Ų | 132.3 | 52% | 0.524 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -72 | -30.4 | 178.2 | -66.7 | 176.4 | 0 | 0 | 0 | 112.2 | L45 S50 L51 | L45-L48 HydrophobicContact CD2-CD1 3.72Å; L45-L48 PolarHBondContact O-N 3.21Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.03Å; L48-L51 HydrophobicContact CD2-CD1 3.71Å; L48-L51 WeakPolarHBondContact O-CB 3.31Å; L48-L51 PolarHBondContact O-N 3.14Å |
| 49 | R | 64.6 | Low | 63.9 | Low | 215 Ų | 215 | 133.8 Ų | 133.8 | 81% | 0.811 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.7 | -32.3 | 176.3 | -70.5 | -176.7 | 179.9 | 160.2 | -1.1 | 112.6 | H47 L51 A52 | H47-R49 VanDerWaalsContact C-N 3.35Å; R49-L51 VanDerWaalsContact C-N 3.32Å; R49-A52 WeakPolarHBondContact O-CB 2.84Å; R49-A52 PolarHBondContact O-N 3.42Å |
| 50 | S | 65.4 | Low | 63.5 | Low | 44 Ų | 44 | 131.9 Ų | 131.9 | 31% | 0.308 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -73.7 | -20.5 | 174.9 | 42 | 0 | 0 | 0 | 0 | 113.7 | H47 L48 A52 L53 | H47-S50 PolarHBondContact O-N 3.33Å; H47-S50 PolarHBondContact O-OG 2.9Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.03Å; S50-A52 PolarHBondContact O-N 3.46Å; S50-L53 WeakPolarHBondContact O-CB 3.18Å; S50-L53 PolarHBondContact O-N 3.15Å |
| 51 | L | 67.1 | Low | 63.2 | Low | 80 Ų | 80 | 133.2 Ų | 133.2 | 42% | 0.419 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -69.4 | -25.4 | 174.7 | -68.1 | 173.2 | 0 | 0 | 0 | 112.2 | L48 R49 L53 Y54 L55 | L48-L51 HydrophobicContact CD2-CD1 3.71Å; L48-L51 WeakPolarHBondContact O-CB 3.31Å; L48-L51 PolarHBondContact O-N 3.14Å; R49-L51 VanDerWaalsContact C-N 3.32Å; L51-L53 PolarHBondContact O-N 3.12Å; L51-L53 VanDerWaalsContact O-N 3.15Å; L51-Y54 PolarHBondContact O-N 2.04Å; L51-L55 PolarHBondContact O-N 3.17Å |
| 52 | A | 66.2 | Low | 62.5 | Low | 63 Ų | 63 | 127.2 Ų | 127.2 | 52% | 0.521 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.4 | -24.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | R49 S50 Y54 | R49-A52 WeakPolarHBondContact O-CB 2.84Å; R49-A52 PolarHBondContact O-N 3.42Å; S50-A52 PolarHBondContact O-N 3.46Å; A52-Y54 VanDerWaalsContact C-N 3.33Å |
| 53 | L | 65.8 | Low | 61.8 | Low | 146 Ų | 146 | 125.4 Ų | 125.4 | 76% | 0.764 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -19.9 | 177.7 | -60.1 | 173.8 | 0 | 0 | 0 | 113.5 | S50 L51 | S50-L53 WeakPolarHBondContact O-CB 3.18Å; S50-L53 PolarHBondContact O-N 3.15Å; L51-L53 PolarHBondContact O-N 3.12Å; L51-L53 VanDerWaalsContact O-N 3.15Å |
| 54 | Y | 66.7 | Low | 61.2 | Low | 201 Ų | 201 | 127.2 Ų | 127.2 | 79% | 0.788 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -6.6 | 179.4 | -66.3 | -85.1 | 0 | 0 | 0 | 112.7 | L51 A52 | L51-Y54 PolarHBondContact O-N 2.04Å; A52-Y54 VanDerWaalsContact C-N 3.33Å |
| 55 | L | 69.5 | Low | 60.3 | Low | 115 Ų | 115 | 121.2 Ų | 121.2 | 60% | 0.602 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -80.5 | 134.7 | 173.1 | -79.4 | 148.3 | 0 | 0 | 0 | 108.5 | L51 G57 | L51-L55 PolarHBondContact O-N 3.17Å; L55-G57 PolarHBondContact O-N 2.87Å |
| 56 | P | 65.6 | Low | 59.9 | Low | 101 Ų | 101 | 119 Ų | 119 | 66% | 0.656 | 65% | 0.652 | S | S | * | * | | | trans | -51.7 | 116.4 | 175.2 | -24.4 | 32.3 | 0 | 0 | 0 | 109.9 | H58 | P56-H58 PolarHBondContact O-N 3.05Š|
| 57 | G | 64.1 | Low | 59.6 | Low | 90 Ų | 90 | 114.5 Ų | 114.5 | 93% | 0.928 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 26.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L55 | L55-G57 PolarHBondContact O-N 2.87Š|
| 58 | H | 56.9 | Low | 59.6 | Low | 143 Ų | 143 | 114.3 Ų | 114.3 | 66% | 0.662 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -3 | -178.2 | 118.4 | -86.3 | 0 | 0 | 0 | 113.7 | P56 Q60 | P56-H58 PolarHBondContact O-N 3.05Å; H58-Q60 VanDerWaalsContact C-N 3.26Å; H58-Q60 PolarHBondContact O-N 3.04Å |
| 59 | M | 49.6 | Very low | 59.7 | Low | 146 Ų | 146 | 116 Ų | 116 | 72% | 0.719 | 65% | 0.648 | S | S | * | * | | | trans | -76.2 | 86.9 | 168.8 | -68 | -73.3 | 114.1 | 0 | 0 | 108.3 | | |
| 60 | Q | 54.9 | Low | 59.8 | Low | 158 Ų | 158 | 110 Ų | 110 | 74% | 0.738 | 63% | 0.631 | S | S | * | * | | | trans | -45.2 | 126.9 | 164.4 | -158.3 | -133.2 | 44.8 | 0 | 0 | 106.4 | H58 A62 | H58-Q60 VanDerWaalsContact C-N 3.26Å; H58-Q60 PolarHBondContact O-N 3.04Å; Q60-A62 PolarHBondContact O-N 3.15Å |
| 61 | P | 57.7 | Low | 59.7 | Low | 108 Ų | 108 | 109.8 Ų | 109.8 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | | | trans | -51.5 | 126.9 | 174.7 | 20.8 | -31.6 | 0 | 0 | 0 | 106 | G63 | P61-G63 PolarHBondContact O-N 3.39Š|
| 62 | A | 53 | Low | 59.5 | Low | 77 Ų | 77 | 113.8 Ų | 113.8 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | | | trans | -65.7 | 60.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q60 Q64 C65 | Q60-A62 PolarHBondContact O-N 3.15Å; A62-Q64 PolarHBondContact O-N 3.01Å; A62-Q64 VanDerWaalsContact O-N 3.15Å; A62-C65 HydrophobicContact CB-CB 4.27Å |
| 63 | G | 48.4 | Very low | 59.4 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 58% | 0.577 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 110.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | P61 | P61-G63 PolarHBondContact O-N 3.39Š|
| 64 | Q | 50 | Low | 59.5 | Low | 200 Ų | 200 | 117.6 Ų | 117.6 | 94% | 0.935 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.7 | 17.7 | 176.9 | -47.7 | -174.5 | 25.8 | 0 | 0 | 117.9 | A62 | A62-Q64 PolarHBondContact O-N 3.01Å; A62-Q64 VanDerWaalsContact O-N 3.15Å |
| 65 | C | 46.6 | Very low | 59.4 | Low | 94 Ų | 94 | 111.7 Ų | 111.7 | 64% | 0.635 | 65% | 0.648 | S | S | * | * | | | trans | -116.7 | 41.3 | 172.3 | -156.5 | 0 | 0 | 0 | 0 | 113.2 | A62 | A62-C65 HydrophobicContact CB-CB 4.27Š|
| 66 | G | 54.7 | Low | 58.7 | Low | 44 Ų | 44 | 109.8 Ų | 109.8 | 45% | 0.454 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -127.6 | -9.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 67 | S | 58 | Low | 58.1 | Low | 93 Ų | 93 | 107.3 Ų | 107.3 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -113.1 | -13.8 | -165.8 | 53.9 | 0 | 0 | 0 | 0 | 115.9 | G71 | S67-G71 PolarHBondContact O-N 2.9Š|
| 68 | H | 62.1 | Low | 57.7 | Low | 126 Ų | 126 | 108.3 Ų | 108.3 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.7 | -33.5 | -173.3 | 90.5 | -96.7 | 0 | 0 | 0 | 113.6 | R72 | H68-R72 WeakPolarHBondContact O-CB 3.45Å; H68-R72 PolarHBondContact O-N 3.31Å |
| 69 | W | 67.4 | Low | 57.8 | Low | 135 Ų | 135 | 108.8 Ų | 108.8 | 51% | 0.511 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -84.5 | -38.1 | -179 | 66.6 | -93.4 | 0 | 0 | 0 | 111.3 | R72 L73 | W69-R72 PolarHBondContact O-N 3.14Å; W69-L73 HydrophobicContact CE3-CD1 3.76Å; W69-L73 HydrophobicContact CZ3-CD1 3.89Å; W69-L73 PolarHBondContact O-N 3.05Å |
| 70 | L | 65.6 | Low | 58.2 | Low | 89 Ų | 89 | 107.7 Ų | 107.7 | 47% | 0.466 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.9 | -38.4 | 176.4 | -166.3 | 68.6 | 0 | 0 | 0 | 111.3 | R72 L73 M74 | L70-R72 VanDerWaalsContact C-N 3.28Å; L70-R72 PolarHBondContact O-N 2.76Å; L70-L73 PolarHBondContact O-N 2.77Å; L70-M74 WeakPolarHBondContact O-CB 3.47Å; L70-M74 VanDerWaalsContact O-CG 3.28Å; L70-M74 WeakPolarHBondContact O-CG 3.39Å; L70-M74 PolarHBondContact O-N 2.85Å |
| 71 | G | 64.1 | Low | 58.2 | Low | 41 Ų | 41 | 110.6 Ų | 110.6 | 42% | 0.423 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63 | -32.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S67 A75 | S67-G71 PolarHBondContact O-N 2.9Å; G71-A75 WeakPolarHBondContact O-CB 3.28Å; G71-A75 PolarHBondContact O-N 3.19Å |
| 72 | R | 62.8 | Low | 58.2 | Low | 163 Ų | 163 | 111 Ų | 111 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75 | -33.5 | 178.3 | -156.2 | 179.8 | -64.1 | -136.2 | 2.1 | 112.9 | H68 W69 L70 | H68-R72 WeakPolarHBondContact O-CB 3.45Å; H68-R72 PolarHBondContact O-N 3.31Å; W69-R72 PolarHBondContact O-N 3.14Å; L70-R72 VanDerWaalsContact C-N 3.28Å; L70-R72 PolarHBondContact O-N 2.76Å |
| 73 | L | 64.1 | Low | 58.4 | Low | 129 Ų | 129 | 116.3 Ų | 116.3 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.8 | -41.4 | 172 | -91.2 | 154.4 | 0 | 0 | 0 | 112.5 | W69 L70 | W69-L73 HydrophobicContact CE3-CD1 3.76Å; W69-L73 HydrophobicContact CZ3-CD1 3.89Å; W69-L73 PolarHBondContact O-N 3.05Å; L70-L73 PolarHBondContact O-N 2.77Å |
| 74 | M | 68.7 | Low | 58.3 | Low | 160 Ų | 160 | 117.2 Ų | 117.2 | 79% | 0.788 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -75.7 | -25.7 | -179.5 | -68 | -69.2 | -68.4 | 0 | 0 | 113 | L70 G76 | L70-M74 WeakPolarHBondContact O-CB 3.47Å; L70-M74 VanDerWaalsContact O-CG 3.28Å; L70-M74 WeakPolarHBondContact O-CG 3.39Å; L70-M74 PolarHBondContact O-N 2.85Å; M74-G76 PolarHBondContact O-N 2.72Å |
| 75 | A | 63.9 | Low | 58.2 | Low | 78 Ų | 78 | 112.1 Ų | 112.1 | 65% | 0.645 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 4.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | G71 G77 | G71-A75 WeakPolarHBondContact O-CB 3.28Å; G71-A75 PolarHBondContact O-N 3.19Å; A75-G77 PolarHBondContact O-N 3.3Å |
| 76 | G | 54.3 | Low | 58.9 | Low | 75 Ų | 75 | 113.3 Ų | 113.3 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.7 | 13.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | M74 | M74-G76 PolarHBondContact O-N 2.72Š|
| 77 | G | 53.1 | Low | 58.9 | Low | 48 Ų | 48 | 121.5 Ų | 121.5 | 50% | 0.495 | 69% | 0.687 | S | S | . | * | | | trans | -80.1 | 127.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A75 L79 | A75-G77 PolarHBondContact O-N 3.3Å; G77-L79 PolarHBondContact O-N 3.43Å |
| 78 | S | 56.4 | Low | 58.7 | Low | 111 Ų | 111 | 122.9 Ų | 122.9 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | | | trans | -48.7 | 123.2 | 169.5 | 44.2 | 0 | 0 | 0 | 0 | 109.7 | T80 | S78-T80 VanDerWaalsContact C-N 3.32Å; S78-T80 PolarHBondContact O-N 3.18Å |
| 79 | L | 58 | Low | 58.2 | Low | 153 Ų | 153 | 123.4 Ų | 123.4 | 80% | 0.801 | 70% | 0.7 | S | S | * | * | | | trans | -61.2 | 99 | 169.4 | -70.2 | 168 | 0 | 0 | 0 | 106.9 | G77 R81 | G77-L79 PolarHBondContact O-N 3.43Å; L79-R81 PolarHBondContact O-N 3.42Å |
| 80 | T | 58.8 | Low | 57.5 | Low | 123 Ų | 123 | 121.4 Ų | 121.4 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | | | trans | -58.7 | 114.7 | 165 | 45.2 | 0 | 0 | 0 | 0 | 106.1 | S78 P82 | S78-T80 VanDerWaalsContact C-N 3.32Å; S78-T80 PolarHBondContact O-N 3.18Å; T80-P82 VanDerWaalsContact O-CD 3.31Å; T80-P82 WeakPolarHBondContact O-CD 3.46Å; T80-P82 VanDerWaalsContact O-N 3.08Å |
| 81 | R | 53.7 | Low | 56.9 | Low | 220 Ų | 220 | 123.3 Ų | 123.3 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | | | trans | -48.2 | 118 | 179.2 | 173.2 | 146 | 70.2 | -174.8 | 4.5 | 108 | L79 E83 | L79-R81 PolarHBondContact O-N 3.42Å; R81-E83 VanDerWaalsContact C-N 3.31Å; R81-E83 PolarHBondContact O-N 3.3Å |
| 82 | P | 59.4 | Low | 56.8 | Low | 117 Ų | 117 | 127.2 Ų | 127.2 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | | | trans | -68.6 | 99.2 | 173 | 25.7 | -29.2 | 0 | 0 | 0 | 107.2 | T80 G84 | T80-P82 VanDerWaalsContact O-CD 3.31Å; T80-P82 WeakPolarHBondContact O-CD 3.46Å; T80-P82 VanDerWaalsContact O-N 3.08Å; P82-G84 PolarHBondContact O-N 3.43Å |
| 83 | E | 56.6 | Low | 56.4 | Low | 188 Ų | 188 | 128.3 Ų | 128.3 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | trans | -70.1 | 115.8 | 169.7 | -165.1 | 167.9 | 128 | 0 | 0 | 107.6 | R81 | R81-E83 VanDerWaalsContact C-N 3.31Å; R81-E83 PolarHBondContact O-N 3.3Å |
| 84 | G | 45 | Very low | 55.6 | Low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | | | trans | 53.8 | 79.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | P82 | P82-G84 PolarHBondContact O-N 3.43Š|
| 85 | S | 48.2 | Very low | 54.7 | Low | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | trans | -116.7 | 105.8 | 147.8 | 60.2 | 0 | 0 | 0 | 0 | 109.3 | W87 | S85-W87 PolarHBondContact O-N 3.44Š|
| 86 | P | 61.8 | Low | 54 | Low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -67.7 | 117.5 | 167.8 | 27.3 | -28.9 | 0 | 0 | 0 | 106.8 | | |
| 87 | W | 54.7 | Low | 53.9 | Low | 217 Ų | 217 | 129.1 Ų | 129.1 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -47 | 127.7 | 165 | -56 | 93.2 | 0 | 0 | 0 | 107.8 | S85 L89 | S85-W87 PolarHBondContact O-N 3.44Å; W87-L89 HydrophobicContact CB-CD1 4.4Å; W87-L89 PolarHBondContact O-N 3.04Å |
| 88 | P | 54.5 | Low | 53.5 | Low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | trans | -69.3 | 88.7 | 171.3 | 27.8 | -29.4 | 0 | 0 | 0 | 106.7 | A90 | P88-A90 PolarHBondContact O-N 2.61Š|
| 89 | L | 50.5 | Low | 53 | Low | 138 Ų | 138 | 130.9 Ų | 130.9 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | | | trans | -69 | 69.9 | 158.1 | -104.6 | 97.5 | 0 | 0 | 0 | 106.9 | W87 L91 | W87-L89 HydrophobicContact CB-CD1 4.4Å; W87-L89 PolarHBondContact O-N 3.04Å; L89-L91 HydrophobicContact CD2-CD1 4Å; L89-L91 HydrophobicContact CD2-CG 4.28Å; L89-L91 PolarHBondContact O-N 3.02Å |
| 90 | A | 52.6 | Low | 52.4 | Low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | -72.1 | 75.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | P88 | P88-A90 PolarHBondContact O-N 2.61Š|
| 91 | L | 54.7 | Low | 51.7 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | trans | -65.2 | 126.3 | 161.6 | -79 | 161.6 | 0 | 0 | 0 | 106.7 | L89 Q93 | L89-L91 HydrophobicContact CD2-CD1 4Å; L89-L91 HydrophobicContact CD2-CG 4.28Å; L89-L91 PolarHBondContact O-N 3.02Å; L91-Q93 PolarHBondContact O-N 3.36Å |
| 92 | P | 61.7 | Low | 51.3 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | trans | -63.5 | 110.1 | 173.9 | 25.2 | -30.6 | 0 | 0 | 0 | 108.1 | G94 | P92-G94 PolarHBondContact O-N 3.31Š|
| 93 | Q | 54 | Low | 50.5 | Low | 187 Ų | 187 | 127 Ų | 127 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -62 | 101.6 | 168 | -77.1 | 168.2 | 4.6 | 0 | 0 | 107.2 | L91 T95 | L91-Q93 PolarHBondContact O-N 3.36Å; Q93-T95 PolarHBondContact O-N 3.27Å; Q93-T95 VanDerWaalsContact O-N 3.11Å |
| 94 | G | 48 | Very low | 50.3 | Low | 80 Ų | 80 | 123.1 Ų | 123.1 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -67.9 | 103.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P92 | P92-G94 PolarHBondContact O-N 3.31Š|
| 95 | T | 49.1 | Very low | 50.2 | Low | 135 Ų | 135 | 124.1 Ų | 124.1 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | | | trans | -93.1 | 127.5 | 161.6 | -61.4 | 0 | 0 | 0 | 0 | 108.4 | Q93 G97 | Q93-T95 PolarHBondContact O-N 3.27Å; Q93-T95 VanDerWaalsContact O-N 3.11Å; T95-G97 PolarHBondContact O-N 3.09Å |
| 96 | L | 49.5 | Very low | 50.4 | Low | 181 Ų | 181 | 127.1 Ų | 127.1 | 95% | 0.948 | 79% | 0.787 | S | S | * | * | | | trans | -52.5 | 124.7 | -177.9 | -72.5 | 135 | 0 | 0 | 0 | 113.2 | | |
| 97 | G | 51.3 | Low | 49.7 | Very low | 63 Ų | 63 | 129.8 Ų | 129.8 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | | | trans | -154.6 | 136.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T95 G99 | T95-G97 PolarHBondContact O-N 3.09Å; G97-G99 PolarHBondContact O-N 3.28Å |
| 98 | P | 44.9 | Very low | 49.5 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | | | trans | -80.7 | 117.1 | -170 | 32.4 | -30.6 | 0 | 0 | 0 | 109.8 | | |
| 99 | G | 47 | Very low | 49.3 | Very low | 54 Ų | 54 | 125.2 Ų | 125.2 | 56% | 0.557 | 79% | 0.786 | S | S | * | * | | | trans | 178.2 | 80.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G97 | G97-G99 PolarHBondContact O-N 3.28Š|
| 100 | N | 43.9 | Very low | 49 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | | | trans | 36.8 | 108.6 | 137.3 | -178.2 | 17.6 | 0 | 0 | 0 | 118.4 | | |
| 101 | G | 45 | Very low | 49 | Very low | 64 Ų | 64 | 131.6 Ų | 131.6 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | | | trans | 120 | 44.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 102 | H | 45.2 | Very low | 49.2 | Very low | 162 Ų | 162 | 131 Ų | 131 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | | | trans | -92.4 | 100.8 | 178.5 | -63.3 | -64.6 | 0 | 0 | 0 | 112.8 | S104 | H102-S104 VanDerWaalsContact C-N 3.3Å; H102-S104 PolarHBondContact O-N 3.03Å; H102-S104 VanDerWaalsContact O-N 3.15Å |
| 103 | C | 42.9 | Very low | 48.5 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 91% | 0.912 | 80% | 0.8 | S | S | * | * | | | trans | -74.2 | 88.5 | 152.2 | -77.1 | 0 | 0 | 0 | 0 | 108.4 | A105 | C103-A105 PolarHBondContact O-N 3.4Å; C103-A105 VanDerWaalsContact O-N 3.15Å |
| 104 | S | 51.1 | Low | 48.2 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -70.6 | 101.8 | 175.3 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | H102 L106 | H102-S104 VanDerWaalsContact C-N 3.3Å; H102-S104 PolarHBondContact O-N 3.03Å; H102-S104 VanDerWaalsContact O-N 3.15Å; S104-L106 PolarHBondContact O-N 3.04Å |
| 105 | A | 43.1 | Very low | 48.3 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | trans | -87.9 | 73.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110 | C103 | C103-A105 PolarHBondContact O-N 3.4Å; C103-A105 VanDerWaalsContact O-N 3.15Å |
| 106 | L | 52.4 | Low | 48.3 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | | | trans | -149.5 | 92.4 | 160.5 | -77.6 | -177.3 | 0 | 0 | 0 | 108.2 | S104 E108 | S104-L106 PolarHBondContact O-N 3.04Å; L106-E108 PolarHBondContact O-N 3.42Å |
| 107 | L | 47.2 | Very low | 48.4 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | trans | -73.4 | 76 | 166.8 | -160 | 98.3 | 0 | 0 | 0 | 107.5 | A109 | L107-A109 PolarHBondContact O-N 2.88Š|
| 108 | E | 51.9 | Low | 48.2 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -59.6 | 105.6 | 157.8 | -97.1 | -152.3 | 105.6 | 0 | 0 | 107.1 | L106 R110 | L106-E108 PolarHBondContact O-N 3.42Å; E108-R110 HydrophobicContact CB-CG 4.49Å; E108-R110 PolarHBondContact O-N 3.31Å |
| 109 | A | 48.7 | Very low | 48.2 | Very low | 90 Ų | 90 | 133.8 Ų | 133.8 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | trans | -68.8 | 83.7 | 162 | 0 | 0 | 0 | 0 | 0 | 107.6 | L107 L111 | L107-A109 PolarHBondContact O-N 2.88Å; A109-L111 PolarHBondContact O-N 3.2Å |
| 110 | R | 45.9 | Very low | 48.4 | Very low | 209 Ų | 209 | 136 Ų | 136 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | | | trans | -56.3 | 118.4 | 168.8 | -74.6 | 177.4 | 155 | -133 | -3.5 | 108.7 | E108 | E108-R110 HydrophobicContact CB-CG 4.49Å; E108-R110 PolarHBondContact O-N 3.31Å |
| 111 | L | 51.2 | Low | 48.6 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | trans | -58.7 | 133.7 | 161.5 | -83.5 | 97.1 | 0 | 0 | 0 | 108.2 | A109 R113 | A109-L111 PolarHBondContact O-N 3.2Å; L111-R113 PolarHBondContact O-N 3.38Å |
| 112 | P | 58.6 | Low | 48.9 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -69.6 | 98.8 | 168.6 | 11.4 | -1.3 | 0 | 0 | 0 | 107.7 | D114 | P112-D114 VanDerWaalsContact C-N 3.3Š|
| 113 | R | 47.5 | Very low | 49.3 | Very low | 236 Ų | 236 | 133.2 Ų | 133.2 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | | | trans | -98.5 | 62.1 | 168.4 | -144.2 | -172.9 | -156.6 | -146.7 | 6.8 | 107.6 | L111 | L111-R113 PolarHBondContact O-N 3.38Š|
| 114 | D | 47.9 | Very low | 50 | Low | 138 Ų | 138 | 131.3 Ų | 131.3 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | -93.3 | 96.9 | 169.7 | -66.3 | -42.5 | 0 | 0 | 0 | 106.7 | P112 | P112-D114 VanDerWaalsContact C-N 3.3Š|
| 115 | S | 49.9 | Very low | 50.3 | Low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | | | | 61.3 | 81.9 | 76 | 84.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 116 | L | 50.3 | Low | 50.8 | Low | 148 Ų | 148 | 136.6 Ų | 136.6 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -143.5 | 86.9 | 149.2 | -167.1 | 64.3 | 0 | 0 | 0 | 108.5 | | |
| 117 | G | 50.2 | Low | 50.8 | Low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -66.3 | 126 | 152.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 118 | N | 48 | Very low | 51 | Low | 140 Ų | 140 | 130.2 Ų | 130.2 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | -149.8 | 117 | 154.9 | -89 | -17.1 | 0 | 0 | 0 | 107.7 | | |
| 119 | T | 44.2 | Very low | 51.1 | Low | 142 Ų | 142 | 133.4 Ų | 133.4 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | | | trans | -60.4 | 130.4 | -178.9 | -34.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 120 | A | 51.5 | Low | 51 | Low | 100 Ų | 100 | 132.5 Ų | 132.5 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -160 | 126.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 121 | S | 48.5 | Very low | 51.4 | Low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | trans | -79.8 | 157.7 | -173.8 | -57.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 122 | S | 50.3 | Low | 51.5 | Low | 120 Ų | 120 | 127.1 Ų | 127.1 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | trans | 69.2 | 138.6 | 155.9 | -75.7 | 0 | 0 | 0 | 0 | 117 | | |
| 123 | S | 55 | Low | 51.3 | Low | 108 Ų | 108 | 126.7 Ų | 126.7 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | cis | -167.3 | 150.8 | 19.7 | 44.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 124 | S | 57.2 | Low | 51.1 | Low | 94 Ų | 94 | 125 Ų | 125 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | trans | 51.3 | 108.8 | 136.8 | -177.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 125 | M | 55.8 | Low | 51.4 | Low | 174 Ų | 174 | 124.1 Ų | 124.1 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | | 157.8 | 121.7 | 120.6 | -84.7 | -76 | 101.5 | 0 | 0 | 109.4 | | |
| 126 | D | 55.4 | Low | 51.6 | Low | 141 Ų | 141 | 122.5 Ų | 122.5 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -114.3 | 135.3 | 162.9 | -173.8 | 11.8 | 0 | 0 | 0 | 106.2 | A128 | D126-A128 PolarHBondContact OD1-N 3.05Š|
| 127 | P | 52.5 | Low | 52.2 | Low | 116 Ų | 116 | 121.1 Ų | 121.1 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | | -145.8 | 125.7 | 108.1 | 32 | -13.3 | 0 | 0 | 0 | 114.4 | | |
| 128 | A | 51.3 | Low | 52.7 | Low | 81 Ų | 81 | 123.7 Ų | 123.7 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | | 41.8 | 126.1 | 127.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | D126 | D126-A128 PolarHBondContact OD1-N 3.05Š|
| 129 | K | 53.4 | Low | 53.4 | Low | 217 Ų | 217 | 126.4 Ų | 126.4 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | | | trans | 80.3 | 106.4 | 164.9 | -68 | -159.1 | 178.4 | -166.4 | 0 | 117.2 | | |
| 130 | G | 46.6 | Very low | 53.8 | Low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | trans | 161.9 | 95.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 131 | V | 53.7 | Low | 53.9 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | 58.9 | 118.9 | 146.2 | -176.7 | 0 | 0 | 0 | 0 | 118.6 | S133 | V131-S133 PolarHBondContact O-N 2.9Š|
| 132 | P | 53.2 | Low | 54.3 | Low | 133 Ų | 133 | 124.8 Ų | 124.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -80.4 | 107.9 | 165.1 | 31.9 | -27.2 | 0 | 0 | 0 | 109.6 | | |
| 133 | S | 54.3 | Low | 54.8 | Low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -100.9 | 107.3 | 168.4 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | V131 | V131-S133 PolarHBondContact O-N 2.9Š|
| 134 | Q | 44.5 | Very low | 55.3 | Low | 200 Ų | 200 | 133.3 Ų | 133.3 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | | | trans | 7.5 | 114.8 | 156.8 | -62.6 | 179.6 | -49.2 | 0 | 0 | 118.1 | | |
| 135 | S | 54.3 | Low | 55.7 | Low | 120 Ų | 120 | 133.3 Ų | 133.3 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -132.1 | 109.7 | 157.1 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 136 | G | 54 | Low | 56.4 | Low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | | | trans | 67.3 | 123.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 137 | P | 63 | Low | 57.1 | Low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -68.9 | 135.4 | 167.3 | 30.5 | -30.4 | 0 | 0 | 0 | 109.3 | E139 | P137-E139 PolarHBondContact O-N 3.09Š|
| 138 | P | 61 | Low | 57.8 | Low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -72.9 | 129.4 | 173.1 | 29.8 | -30.6 | 0 | 0 | 0 | 108.7 | G140 | P138-G140 PolarHBondContact O-N 2.94Š|
| 139 | E | 61.2 | Low | 58.1 | Low | 197 Ų | 197 | 145.3 Ų | 145.3 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -60.6 | 96.2 | 173.7 | -85.2 | 142.4 | 120.8 | 0 | 0 | 110.5 | P137 | P137-E139 PolarHBondContact O-N 3.09Š|
| 140 | G | 53.8 | Low | 58.4 | Low | 69 Ų | 69 | 145.5 Ų | 145.5 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -68.1 | 129.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P138 G142 | P138-G140 PolarHBondContact O-N 2.94Å; G140-G142 PolarHBondContact O-N 3.15Å; G140-G142 VanDerWaalsContact O-N 3.09Å |
| 141 | L | 53 | Low | 58.8 | Low | 189 Ų | 189 | 146.6 Ų | 146.6 | 99% | 0.99 | 81% | 0.806 | S | S | * | * | | | trans | -45.6 | 109.2 | 164.4 | -64.1 | 165.4 | 0 | 0 | 0 | 110.6 | | |
| 142 | G | 57.6 | Low | 58.8 | Low | 59 Ų | 59 | 146.9 Ų | 146.9 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | | | trans | -170.7 | 130.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | G140 R144 | G140-G142 PolarHBondContact O-N 3.15Å; G140-G142 VanDerWaalsContact O-N 3.09Å; G142-R144 PolarHBondContact O-N 3.18Å |
| 143 | L | 59.7 | Low | 59.3 | Low | 186 Ų | 186 | 149.3 Ų | 149.3 | 97% | 0.974 | 80% | 0.802 | S | S | * | * | | | trans | -59.1 | 75.8 | 174.8 | -63.8 | 166.3 | 0 | 0 | 0 | 109.1 | P145 | L143-P145 WeakPolarHBondContact O-CD 3.41Š|
| 144 | R | 65.9 | Low | 59.6 | Low | 220 Ų | 220 | 149.9 Ų | 149.9 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | -74 | 121.2 | 171.8 | -170.4 | 178.8 | -175.1 | -179.9 | 2.4 | 104.6 | G142 K146 | G142-R144 PolarHBondContact O-N 3.18Å; R144-K146 PolarHBondContact O-N 3.22Å |
| 145 | P | 66 | Low | 60.4 | Low | 95 Ų | 95 | 145.7 Ų | 145.7 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | | | trans | -51.6 | 111.1 | 169.9 | -25.2 | 34.8 | 0 | 0 | 0 | 108 | L143 R147 | L143-P145 WeakPolarHBondContact O-CD 3.41Å; P145-R147 PolarHBondContact O-N 3.48Å |
| 146 | K | 71.1 | Confident | 61.1 | Low | 209 Ų | 209 | 144.9 Ų | 144.9 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -74.6 | 19.4 | -173.8 | -163.2 | 149.4 | 179.2 | 170.3 | 0 | 112.6 | R144 | R144-K146 PolarHBondContact O-N 3.22Š|
| 147 | R | 69.8 | Low | 62 | Low | 214 Ų | 214 | 143.8 Ų | 143.8 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -127.2 | 112.7 | -175 | -49.4 | -173.6 | -168.8 | 169.6 | 3.3 | 105.8 | P145 W149 | P145-R147 PolarHBondContact O-N 3.48Å; R147-W149 PolarHBondContact O-N 3.17Å |
| 148 | S | 66.1 | Low | 62.4 | Low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | -53.3 | 130.8 | 167.6 | 46.8 | 0 | 0 | 0 | 0 | 108.6 | R150 | S148-R150 PolarHBondContact O-N 3.02Å; S148-R150 PolarHBondContact OG-O 2.79Å |
| 149 | W | 58.3 | Low | 63 | Low | 242 Ų | 242 | 145.7 Ų | 145.7 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -65 | -0.8 | 169.3 | -80.5 | 95.6 | 0 | 0 | 0 | 113.4 | R147 | R147-W149 PolarHBondContact O-N 3.17Š|
| 150 | R | 58.7 | Low | 63.7 | Low | 221 Ų | 221 | 140.1 Ų | 140.1 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | | | trans | -96 | 133.6 | 176.5 | -64.5 | -175 | -154.9 | -132.8 | 3.9 | 109.1 | S148 | S148-R150 PolarHBondContact O-N 3.02Å; S148-R150 PolarHBondContact OG-O 2.79Å |
| 151 | A | 54.9 | Low | 64.3 | Low | 94 Ų | 94 | 145.4 Ų | 145.4 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | | | trans | 93.6 | 31 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | E153 | A151-E153 PolarHBondContact O-N 2.94Š|
| 152 | L | 55.5 | Low | 65 | Low | 126 Ų | 126 | 145.7 Ų | 145.7 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | | | trans | -78.1 | 73.9 | 151.8 | -167.4 | 71 | 0 | 0 | 0 | 108.7 | E154 | L152-E154 HydrophobicContact CD1-CB 4.09Å; L152-E154 HydrophobicContact CD1-CG 3.8Å; L152-E154 WeakPolarHBondContact CD1-OE2 3.48Å; L152-E154 HydrophobicContact CG-CB 4.05Å; L152-E154 HydrophobicContact CG-CG 4.32Å; L152-E154 PolarHBondContact O-N 3.43Å |
| 153 | E | 62.4 | Low | 65.3 | Low | 183 Ų | 183 | 146.5 Ų | 146.5 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | | | trans | -74.6 | 57.7 | 160.5 | -73.1 | -178.2 | 146 | 0 | 0 | 109 | A151 | A151-E153 PolarHBondContact O-N 2.94Š|
| 154 | E | 59.9 | Low | 65.4 | Low | 119 Ų | 119 | 148.8 Ų | 148.8 | 56% | 0.556 | 71% | 0.712 | S | S | * | * | | | trans | -99.8 | 95.1 | 163.9 | -78.5 | -175.3 | 154.1 | 0 | 0 | 107.6 | L152 M156 | L152-E154 HydrophobicContact CD1-CB 4.09Å; L152-E154 HydrophobicContact CD1-CG 3.8Å; L152-E154 WeakPolarHBondContact CD1-OE2 3.48Å; L152-E154 HydrophobicContact CG-CB 4.05Å; L152-E154 HydrophobicContact CG-CG 4.32Å; L152-E154 PolarHBondContact O-N 3.43Å; E154-M156 PolarHBondContact O-N 3.38Å; E154-M156 VanDerWaalsContact O-N 3.14Å |
| 155 | T | 62.3 | Low | 65.1 | Low | 111 Ų | 111 | 142.8 Ų | 142.8 | 68% | 0.681 | 70% | 0.703 | S | S | * | * | | | trans | -62.3 | -9.6 | 173.9 | 36.8 | 0 | 0 | 0 | 0 | 112.9 | T163 | T155-T163 WeakPolarHBondContact O-CA 3.13Å; T155-T163 WeakPolarHBondContact O-CG2 3.48Å |
| 156 | M | 68.6 | Low | 64.4 | Low | 103 Ų | 103 | 141.9 Ų | 141.9 | 51% | 0.507 | 71% | 0.711 | S | S | . | * | B | Isolated β-bridge | trans | -133.1 | 126.7 | 178.1 | -73.6 | -177.7 | 48 | 0 | 0 | 111.6 | E154 P158 T163 | E154-M156 PolarHBondContact O-N 3.38Å; E154-M156 VanDerWaalsContact O-N 3.14Å; M156-P158 VanDerWaalsContact O-CD 3.32Å; M156-P158 WeakPolarHBondContact O-CD 3.17Å; M156-T163 HydrophobicContact CG-CG2 4.38Å |
| 157 | C | 73.3 | Confident | 63.3 | Low | 42 Ų | 42 | 136 Ų | 136 | 28% | 0.284 | 70% | 0.701 | S | S | . | * | | | trans | -65.7 | 115.2 | 168.6 | 166.6 | 0 | 0 | 0 | 0 | 109.9 | L159 C160 K161 R162 | C157-L159 PolarHBondContact O-N 3.28Å; C157-L159 VanDerWaalsContact O-N 3.15Å; C157-C160 HydrophobicContact CB-CB 4.19Å; C157-C160 WeakPolarHBondContact CB-SG 3.38Å; C157-C160 PolarHBondContact O-N 3.28Å; C157-C160 VanDerWaalsContact O-N 3.12Å; C157-C160 WeakPolarHBondContact SG-CB 3.21Å; C157-C160 PolarHBondContact SG-N 2.89Å; C157-C160 CovalentContact SG-SG 2.04Å; C157-C160 PolarHBondContact SG-SG 3.39Å; C157-K161 PolarHBondContact O-N 3.27Å; C157-R162 PolarHBondContact N-O 2.88Å |
| 158 | P | 70.9 | Confident | 62.4 | Low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -25.3 | -177.2 | 22.9 | -32.6 | 0 | 0 | 0 | 112.9 | M156 | M156-P158 VanDerWaalsContact O-CD 3.32Å; M156-P158 WeakPolarHBondContact O-CD 3.17Å |
| 159 | L | 74.7 | Confident | 61.6 | Low | 173 Ų | 173 | 135.9 Ų | 135.9 | 91% | 0.906 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -24.7 | 178.1 | -70.3 | 171 | 0 | 0 | 0 | 114.1 | C157 | C157-L159 PolarHBondContact O-N 3.28Å; C157-L159 VanDerWaalsContact O-N 3.15Å |
| 160 | C | 76.1 | Confident | 61 | Low | 79 Ų | 79 | 134.7 Ų | 134.7 | 53% | 0.534 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.8 | -0.3 | -168.8 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | C157 R162 | C157-C160 HydrophobicContact CB-CB 4.19Å; C157-C160 WeakPolarHBondContact CB-SG 3.38Å; C157-C160 PolarHBondContact O-N 3.28Å; C157-C160 VanDerWaalsContact O-N 3.12Å; C157-C160 WeakPolarHBondContact SG-CB 3.21Å; C157-C160 PolarHBondContact SG-N 2.89Å; C157-C160 CovalentContact SG-SG 2.04Å; C157-C160 PolarHBondContact SG-SG 3.39Å; C160-R162 PolarHBondContact O-N 2.93Å |
| 161 | K | 66.6 | Low | 60.5 | Low | 180 Ų | 180 | 133.8 Ų | 133.8 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | | | trans | 44.3 | 17.7 | -177.5 | -66.2 | -156.9 | -180 | -172.3 | 0 | 114.7 | C157 | C157-K161 PolarHBondContact O-N 3.27Š|
| 162 | R | 66.5 | Low | 60.7 | Low | 196 Ų | 196 | 135.8 Ų | 135.8 | 74% | 0.74 | 71% | 0.714 | S | S | * | * | | | trans | -104.5 | 126 | -175.6 | -129.4 | 175.7 | -170 | 134.6 | 1.2 | 108 | C157 C160 | C157-R162 PolarHBondContact N-O 2.88Å; C160-R162 PolarHBondContact O-N 2.93Å |
| 163 | T | 63.9 | Low | 61 | Low | 75 Ų | 75 | 136.3 Ų | 136.3 | 46% | 0.46 | 72% | 0.717 | S | S | . | * | B | Isolated β-bridge | trans | -59.3 | 140.1 | 161 | 12.1 | 0 | 0 | 0 | 0 | 108.7 | T155 M156 S165 | T155-T163 WeakPolarHBondContact O-CA 3.13Å; T155-T163 WeakPolarHBondContact O-CG2 3.48Å; M156-T163 HydrophobicContact CG-CG2 4.38Å; T163-S165 PolarHBondContact O-N 3.19Å |
| 164 | R | 62.9 | Low | 60.9 | Low | 235 Ų | 235 | 133.7 Ų | 133.7 | 89% | 0.887 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -63.7 | -8.3 | 179.4 | -82.7 | -166.4 | -172.8 | -141.8 | 5.1 | 113.9 | G166 | R164-G166 VanDerWaalsContact C-N 3.34Å; R164-G166 PolarHBondContact O-N 2.92Å; R164-G166 VanDerWaalsContact O-N 3.14Å |
| 165 | S | 59.3 | Low | 61 | Low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | | | trans | -86.8 | 71.2 | 178.7 | 15.5 | 0 | 0 | 0 | 0 | 110.9 | T163 A167 | T163-S165 PolarHBondContact O-N 3.19Å; S165-A167 PolarHBondContact O-N 3.33Å |
| 166 | G | 51.7 | Low | 60.9 | Low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | | | trans | -86.4 | 59.5 | 157 | 0 | 0 | 0 | 0 | 0 | 109.5 | R164 L168 | R164-G166 VanDerWaalsContact C-N 3.34Å; R164-G166 PolarHBondContact O-N 2.92Å; R164-G166 VanDerWaalsContact O-N 3.14Å; G166-L168 PolarHBondContact O-N 3.04Å |
| 167 | A | 47.8 | Very low | 60.4 | Low | 85 Ų | 85 | 138.2 Ų | 138.2 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | | | trans | -72.2 | 113.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | S165 E169 | S165-A167 PolarHBondContact O-N 3.33Å; A167-E169 PolarHBondContact O-N 3.37Å |
| 168 | L | 50.5 | Low | 59.5 | Low | 132 Ų | 132 | 145.1 Ų | 145.1 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | trans | -62.3 | 96.2 | 170.9 | 178.1 | 80.7 | 0 | 0 | 0 | 108.2 | G166 R170 | G166-L168 PolarHBondContact O-N 3.04Å; L168-R170 HydrophobicContact CD2-CG 4.11Å; L168-R170 HydrophobicContact CG-CG 4.16Å; L168-R170 PolarHBondContact O-N 3.31Å |
| 169 | E | 49.3 | Very low | 58.6 | Low | 179 Ų | 179 | 147.8 Ų | 147.8 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -76.5 | 102.1 | 160.1 | -67 | -143.1 | 115.9 | 0 | 0 | 107.4 | A167 | A167-E169 PolarHBondContact O-N 3.37Š|
| 170 | R | 46.1 | Very low | 57.3 | Low | 216 Ų | 216 | 145.7 Ų | 145.7 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | -80.2 | 108.7 | 156.3 | -81.7 | -174.1 | 159.2 | 118 | -2.4 | 106.4 | L168 | L168-R170 HydrophobicContact CD2-CG 4.11Å; L168-R170 HydrophobicContact CG-CG 4.16Å; L168-R170 PolarHBondContact O-N 3.31Å |
| 171 | T | 46.7 | Very low | 55.6 | Low | 202 Ų | 202 | 151.7 Ų | 151.7 | 100% | 1.239 | 78% | 0.78 | S | S | * | * | | | trans | -119.6 | 0 | 149.3 | -37.9 | 0 | 0 | 0 | 0 | 106.9 | | |