| 1 | M | 52.1 | Low | 53.9 | Low | 238 Ų | 238 | 168.5 Ų | 168.5 | 100% | 1.172 | 84% | 0.835 | S | S | * | * | | | | 0 | 122.3 | 0 | -71.4 | -67.7 | -102.2 | 0 | 0 | 108.1 | | |
| 2 | H | 54.5 | Low | 53 | Low | 185 Ų | 185 | 173.5 Ų | 173.5 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | | | trans | -73.6 | 131.2 | -152.8 | -68.9 | 98.4 | 0 | 0 | 0 | 115.9 | K4 | H2-K4 PolarHBondContact O-N 2.84Š|
| 3 | L | 53.1 | Low | 53 | Low | 160 Ų | 160 | 167.8 Ų | 167.8 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | | | trans | -70.6 | 113.8 | 166.7 | -162.1 | 73.5 | 0 | 0 | 0 | 108.7 | T5 | L3-T5 PolarHBondContact O-N 3.21Å; L3-T5 VanDerWaalsContact O-N 3.08Å |
| 4 | K | 58.7 | Low | 52.6 | Low | 196 Ų | 196 | 169.4 Ų | 169.4 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | | | trans | -78.5 | 91.3 | 177.4 | -74.1 | 179.8 | 179.1 | 177.8 | 0 | 109.9 | H2 N6 | H2-K4 PolarHBondContact O-N 2.84Å; K4-N6 PolarHBondContact O-N 3.29Å |
| 5 | T | 61.2 | Low | 52.4 | Low | 118 Ų | 118 | 173.5 Ų | 173.5 | 72% | 0.724 | 83% | 0.834 | S | S | * | * | | | trans | -64.1 | 105.2 | 165.3 | -50.9 | 0 | 0 | 0 | 0 | 109.2 | L3 R7 | L3-T5 PolarHBondContact O-N 3.21Å; L3-T5 VanDerWaalsContact O-N 3.08Å; T5-R7 PolarHBondContact O-N 2.98Å; T5-R7 VanDerWaalsContact C-N 3.29Å |
| 6 | N | 58.4 | Low | 51.7 | Low | 166 Ų | 166 | 170.6 Ų | 170.6 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | | | trans | -74.1 | 90.7 | 168.2 | -94.3 | -32.3 | 0 | 0 | 0 | 109 | K4 A8 | K4-N6 PolarHBondContact O-N 3.29Å; N6-A8 PolarHBondContact O-N 3.07Å |
| 7 | R | 51.4 | Low | 51.2 | Low | 215 Ų | 215 | 164.2 Ų | 164.2 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | -54.6 | 122.5 | 172.4 | -173.4 | 175 | 179.8 | 127.9 | -3.4 | 109.6 | T5 T9 | T5-R7 PolarHBondContact O-N 2.98Å; T5-R7 VanDerWaalsContact C-N 3.29Å; R7-T9 PolarHBondContact O-N 3.18Å |
| 8 | A | 51.5 | Low | 50.7 | Low | 86 Ų | 86 | 162.7 Ų | 162.7 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | trans | -55.4 | 100.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N6 F10 | N6-A8 PolarHBondContact O-N 3.07Å; A8-F10 PolarHBondContact O-N 2.83Å |
| 9 | T | 54.8 | Low | 50.3 | Low | 107 Ų | 107 | 158.8 Ų | 158.8 | 66% | 0.656 | 82% | 0.818 | S | S | * | * | | | trans | -88.4 | 103.4 | 174.5 | 41.2 | 0 | 0 | 0 | 0 | 109.2 | R7 F11 | R7-T9 PolarHBondContact O-N 3.18Å; T9-F11 PolarHBondContact O-N 3.34Å; T9-F11 VanDerWaalsContact O-N 3.07Å |
| 10 | F | 47.8 | Very low | 49.9 | Very low | 188 Ų | 188 | 157.5 Ų | 157.5 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -33 | 103.3 | 158.2 | -72.7 | -99.5 | 0 | 0 | 0 | 112.6 | A8 R12 | A8-F10 PolarHBondContact O-N 2.83Å; F10-R12 PolarHBondContact O-N 2.74Å |
| 11 | F | 49.2 | Very low | 49.7 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | | | trans | -76.9 | 80.2 | 161.5 | -96.6 | -88 | 0 | 0 | 0 | 109.2 | T9 S13 | T9-F11 PolarHBondContact O-N 3.34Å; T9-F11 VanDerWaalsContact O-N 3.07Å; F11-S13 PolarHBondContact O-N 3.23Å |
| 12 | R | 43.6 | Very low | 49.7 | Very low | 229 Ų | 229 | 149.2 Ų | 149.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -80.5 | 95.9 | 150.6 | -84.5 | -174.3 | -179.7 | -174.8 | 0.5 | 106.8 | F10 | F10-R12 PolarHBondContact O-N 2.74Š|
| 13 | S | 53.3 | Low | 49.1 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | trans | -91 | 112.5 | 162.5 | 60.1 | 0 | 0 | 0 | 0 | 108.7 | F11 | F11-S13 PolarHBondContact O-N 3.23Š|
| 14 | Q | 46.4 | Very low | 48.9 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -64.7 | 124.5 | 166.4 | -66.3 | 168.1 | -29.3 | 0 | 0 | 108.4 | | |
| 15 | R | 50.8 | Low | 48.6 | Very low | 231 Ų | 231 | 138.7 Ų | 138.7 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -108.2 | 121.1 | 155.3 | -80.9 | -174.4 | 176.1 | 144.4 | -0.7 | 108 | | |
| 16 | P | 40.9 | Very low | 47.8 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | -79.4 | 130.9 | 174.3 | 31.9 | -29.2 | 0 | 0 | 0 | 109.5 | | |
| 17 | G | 42.3 | Very low | 47.1 | Very low | 61 Ų | 61 | 139.2 Ų | 139.2 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | trans | 86.6 | 106.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 18 | T | 42.5 | Very low | 46.5 | Very low | 137 Ų | 137 | 138 Ų | 138 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | | -178.8 | 110.1 | 73.1 | 30.5 | 0 | 0 | 0 | 0 | 104.3 | | |
| 19 | A | 43.9 | Very low | 46.2 | Very low | 90 Ų | 90 | 141.5 Ų | 141.5 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | | | | 32.3 | 110.1 | 83.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 20 | C | 41.5 | Very low | 45.7 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | | | trans | 50.9 | 124.2 | 157.7 | -59.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 21 | A | 45.9 | Very low | 45.5 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | | -166.5 | 129.3 | 61.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 22 | T | 51.4 | Low | 45 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -41.6 | 131 | 143.6 | 24.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 23 | S | 41.7 | Very low | 45.1 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | 48.8 | 82.2 | 160.3 | 60.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 24 | G | 49.7 | Very low | 44.5 | Very low | 60 Ų | 60 | 135.2 Ų | 135.2 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | | | trans | -103.7 | -19.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 25 | T | 52 | Low | 44.7 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 7.3 | -177 | 48.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 26 | R | 44.6 | Very low | 44.7 | Very low | 233 Ų | 233 | 122 Ų | 122 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 6.8 | 168.4 | -159 | 172.7 | 179.9 | 173.2 | 0.3 | 113 | | |
| 27 | A | 43.3 | Very low | 45 | Very low | 63 Ų | 63 | 125.9 Ų | 125.9 | 52% | 0.521 | 78% | 0.776 | S | S | . | * | | | trans | -103.4 | 8.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L29 | A27-L29 VanDerWaalsContact O-N 3.11Å; A27-L29 PolarHBondContact O-N 2.91Å |
| 28 | H | 39.7 | Very low | 45.5 | Very low | 188 Ų | 188 | 127.4 Ų | 127.4 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -78.8 | 15.9 | 173.8 | -130.4 | -66.7 | 0 | 0 | 0 | 114 | | |
| 29 | L | 44.7 | Very low | 46.1 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -123.4 | 57.6 | 175 | -65.9 | 172.8 | 0 | 0 | 0 | 109.2 | A27 | A27-L29 VanDerWaalsContact O-N 3.11Å; A27-L29 PolarHBondContact O-N 2.91Å |
| 30 | Q | 43.6 | Very low | 46.6 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -103.1 | 82.2 | 165.4 | -169.3 | 171.2 | -13.4 | 0 | 0 | 105.2 | S32 | Q30-S32 PolarHBondContact O-N 2.97Š|
| 31 | A | 44.2 | Very low | 47.4 | Very low | 102 Ų | 102 | 128.8 Ų | 128.8 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | | 40.7 | 52.2 | 79.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 32 | S | 40 | Very low | 48.1 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | | | trans | -154.8 | 76.8 | 170.9 | 165.8 | 0 | 0 | 0 | 0 | 108.2 | Q30 | Q30-S32 PolarHBondContact O-N 2.97Š|
| 33 | E | 43.9 | Very low | 48.6 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -164.8 | 93 | 141.4 | -109.5 | 172.7 | -164.3 | 0 | 0 | 106.8 | A35 | E33-A35 HydrophobicContact CB-CB 4.21Å; E33-A35 HydrophobicContact CG-CB 4.46Å; E33-A35 PolarHBondContact O-N 3.11Å |
| 34 | T | 42.1 | Very low | 49.4 | Very low | 160 Ų | 160 | 131 Ų | 131 | 98% | 0.982 | 78% | 0.779 | S | S | * | * | | | trans | -67.2 | 72 | 158.3 | -44.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 35 | A | 50.9 | Low | 49.9 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 60% | 0.595 | 78% | 0.777 | S | S | * | * | | | trans | -114.4 | 108.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | E33 | E33-A35 HydrophobicContact CB-CB 4.21Å; E33-A35 HydrophobicContact CG-CB 4.46Å; E33-A35 PolarHBondContact O-N 3.11Å |
| 36 | G | 50.2 | Low | 50.3 | Low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 31 | 106 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | S38 | G36-S38 PolarHBondContact O-N 2.74Š|
| 37 | K | 46.6 | Very low | 51.1 | Low | 211 Ų | 211 | 135.3 Ų | 135.3 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | 5.4 | 79.4 | 149.4 | -65.9 | 175.8 | 176.7 | 176.9 | 0 | 114.5 | S39 | K37-S39 PolarHBondContact O-N 3.46Š|
| 38 | S | 53.5 | Low | 52 | Low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | trans | -82.8 | 94.3 | 163.1 | 76.4 | 0 | 0 | 0 | 0 | 107.3 | G36 F40 | G36-S38 PolarHBondContact O-N 2.74Å; S38-F40 VanDerWaalsContact C-N 3.31Å; S38-F40 PolarHBondContact O-N 3.28Å |
| 39 | S | 54 | Low | 53.2 | Low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -67.1 | 93.1 | 164.9 | 38.6 | 0 | 0 | 0 | 0 | 108.4 | K37 A41 | K37-S39 PolarHBondContact O-N 3.46Å; S39-A41 PolarHBondContact O-N 2.81Å |
| 40 | F | 54.8 | Low | 53.8 | Low | 179 Ų | 179 | 137.7 Ų | 137.7 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -70.7 | 112.4 | 161.6 | -89.1 | -87.4 | 0 | 0 | 0 | 107.4 | S38 V42 | S38-F40 VanDerWaalsContact C-N 3.31Å; S38-F40 PolarHBondContact O-N 3.28Å; F40-V42 PolarHBondContact O-N 2.97Å |
| 41 | A | 59.3 | Low | 54.6 | Low | 92 Ų | 92 | 134.6 Ų | 134.6 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | -59.1 | 111.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | S39 P43 | S39-A41 PolarHBondContact O-N 2.81Å; A41-P43 VanDerWaalsContact O-CD 3.28Å; A41-P43 WeakPolarHBondContact O-CD 3.28Å |
| 42 | V | 60.4 | Low | 55.4 | Low | 131 Ų | 131 | 138.6 Ų | 138.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | -65.7 | 117.5 | 170.8 | 179.1 | 0 | 0 | 0 | 0 | 106.2 | F40 S44 | F40-V42 PolarHBondContact O-N 2.97Å; V42-S44 PolarHBondContact O-N 3.38Å |
| 43 | P | 61.1 | Low | 56.4 | Low | 109 Ų | 109 | 139.7 Ų | 139.7 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | | | trans | -59.9 | 126.1 | 171.3 | -12.9 | 25.8 | 0 | 0 | 0 | 107.1 | A41 G45 | A41-P43 VanDerWaalsContact O-CD 3.28Å; A41-P43 WeakPolarHBondContact O-CD 3.28Å; P43-G45 PolarHBondContact O-N 2.81Å |
| 44 | S | 59.7 | Low | 57.3 | Low | 136 Ų | 136 | 133.8 Ų | 133.8 | 95% | 0.951 | 77% | 0.768 | S | S | * | * | | | trans | -69.1 | 70 | 168.1 | 59 | 0 | 0 | 0 | 0 | 108.9 | V42 | V42-S44 PolarHBondContact O-N 3.38Š|
| 45 | G | 58.9 | Low | 58.5 | Low | 55 Ų | 55 | 136.5 Ų | 136.5 | 57% | 0.567 | 77% | 0.767 | S | S | * | * | | | trans | -119.2 | 150 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | P43 R47 | P43-G45 PolarHBondContact O-N 2.81Å; G45-R47 PolarHBondContact O-N 3.28Å |
| 46 | R | 60.5 | Low | 59.2 | Low | 249 Ų | 249 | 141.2 Ų | 141.2 | 94% | 0.94 | 78% | 0.776 | S | S | * | * | | | trans | -39.2 | 131.8 | -179.7 | -70.8 | 179.1 | 177.5 | -149.1 | -0.7 | 111.1 | | |
| 47 | R | 61.2 | Low | 60 | Low | 231 Ų | 231 | 142.8 Ų | 142.8 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | -44.4 | 132.4 | 173.5 | -80.4 | -172.3 | 172.4 | -152.3 | -1.2 | 108.7 | G45 T49 | G45-R47 PolarHBondContact O-N 3.28Å; R47-T49 PolarHBondContact O-N 3.12Å |
| 48 | P | 61.9 | Low | 61.1 | Low | 94 Ų | 94 | 140.2 Ų | 140.2 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | | | trans | -59.1 | 112 | 171 | 24.3 | -30.8 | 0 | 0 | 0 | 107 | W50 | P48-W50 VanDerWaalsContact C-N 3.27Å; P48-W50 PolarHBondContact O-N 3.15Å |
| 49 | T | 66.4 | Low | 61.8 | Low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -64.1 | 100.7 | 160.2 | 35.4 | 0 | 0 | 0 | 0 | 105.2 | R47 S51 | R47-T49 PolarHBondContact O-N 3.12Å; T49-S51 PolarHBondContact O-N 3.07Å |
| 50 | W | 56.7 | Low | 62.1 | Low | 233 Ų | 233 | 139.2 Ų | 139.2 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | | | trans | -61.9 | 89.4 | 162.5 | -63.2 | 92.5 | 0 | 0 | 0 | 106.1 | P48 Q52 | P48-W50 VanDerWaalsContact C-N 3.27Å; P48-W50 PolarHBondContact O-N 3.15Å; W50-Q52 PolarHBondContact O-N 2.97Å |
| 51 | S | 60.8 | Low | 62.7 | Low | 92 Ų | 92 | 138.2 Ų | 138.2 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | | | trans | -65.5 | 121 | 158 | 60.9 | 0 | 0 | 0 | 0 | 104.6 | T49 T53 | T49-S51 PolarHBondContact O-N 3.07Å; S51-T53 PolarHBondContact O-N 3.18Å; S51-T53 PolarHBondContact O-OG1 3.14Å |
| 52 | Q | 60.1 | Low | 62.8 | Low | 185 Ų | 185 | 142.9 Ų | 142.9 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -56.7 | 98.5 | 169.3 | -177.2 | 175.5 | 6.6 | 0 | 0 | 105.9 | W50 G54 | W50-Q52 PolarHBondContact O-N 2.97Å; Q52-G54 PolarHBondContact O-N 3.4Å |
| 53 | T | 62 | Low | 62.9 | Low | 113 Ų | 113 | 140.4 Ų | 140.4 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | | | trans | -63.3 | 112.5 | 175.8 | -25.4 | 0 | 0 | 0 | 0 | 103.8 | S51 F55 | S51-T53 PolarHBondContact O-N 3.18Å; S51-T53 PolarHBondContact O-OG1 3.14Å; T53-F55 PolarHBondContact O-N 3.37Å |
| 54 | G | 62.8 | Low | 63 | Low | 54 Ų | 54 | 136.8 Ų | 136.8 | 56% | 0.557 | 73% | 0.727 | S | S | * | * | | | trans | -50.2 | 140 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q52 Q56 | Q52-G54 PolarHBondContact O-N 3.4Å; G54-Q56 PolarHBondContact O-N 2.84Å |
| 55 | F | 66.8 | Low | 63.2 | Low | 216 Ų | 216 | 135.7 Ų | 135.7 | 95% | 0.947 | 72% | 0.717 | S | S | * | * | | | trans | -55.8 | 103.3 | 177.1 | -90.9 | -86 | 0 | 0 | 0 | 108.9 | T53 S57 | T53-F55 PolarHBondContact O-N 3.37Å; F55-S57 PolarHBondContact O-N 3.02Å |
| 56 | Q | 66.4 | Low | 63.4 | Low | 171 Ų | 171 | 139.1 Ų | 139.1 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | | | trans | -78.4 | 108.8 | 167.7 | -67.1 | -150.7 | 39.8 | 0 | 0 | 107 | G54 I58 | G54-Q56 PolarHBondContact O-N 2.84Å; Q56-I58 PolarHBondContact O-N 3.42Å; Q56-I58 VanDerWaalsContact O-N 3.12Å |
| 57 | S | 66.2 | Low | 63.5 | Low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | | | trans | -68.4 | 106.4 | 171.3 | -178 | 0 | 0 | 0 | 0 | 108.4 | F55 Q59 | F55-S57 PolarHBondContact O-N 3.02Å; S57-Q59 PolarHBondContact O-N 3.12Å; S57-Q59 VanDerWaalsContact O-N 3.15Å |
| 58 | I | 69.1 | Low | 63.7 | Low | 157 Ų | 157 | 119.1 Ų | 119.1 | 81% | 0.805 | 65% | 0.654 | S | S | * | * | | | trans | -76.8 | 100.5 | 170.4 | -56.6 | 175.1 | 0 | 0 | 0 | 106.7 | Q56 | Q56-I58 PolarHBondContact O-N 3.42Å; Q56-I58 VanDerWaalsContact O-N 3.12Å |
| 59 | Q | 67.8 | Low | 63.9 | Low | 154 Ų | 154 | 122.9 Ų | 122.9 | 72% | 0.72 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 131.3 | 170.1 | -64.8 | -174.7 | -0.5 | 0 | 0 | 108.5 | S57 M61 | S57-Q59 PolarHBondContact O-N 3.12Å; S57-Q59 VanDerWaalsContact O-N 3.15Å; Q59-M61 PolarHBondContact O-N 3.05Å; Q59-M61 VanDerWaalsContact O-N 3.14Å |
| 60 | P | 61.2 | Low | 63.8 | Low | 34 Ų | 34 | 119.6 Ų | 119.6 | 22% | 0.221 | 63% | 0.633 | C | S | . | * | P | Polyproline II helix | trans | -61.7 | 121.5 | 174.3 | 27.3 | -35.1 | 0 | 0 | 0 | 108.9 | G67 F75 | P60-G67 WeakPolarHBondContact CB-O 3.03Å; P60-G67 VanDerWaalsContact CG-O 3.29Å; P60-G67 WeakPolarHBondContact CG-O 3.41Å; P60-F75 HydrophobicContact CG-CE1 4.05Å |
| 61 | M | 68.2 | Low | 64.3 | Low | 159 Ų | 159 | 113.9 Ų | 113.9 | 78% | 0.783 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 151.9 | 173.5 | -66.4 | -140.2 | -75.8 | 0 | 0 | 110.3 | Q59 G63 S64 | Q59-M61 PolarHBondContact O-N 3.05Å; Q59-M61 VanDerWaalsContact O-N 3.14Å; M61-G63 PolarHBondContact O-N 3.15Å; M61-G63 VanDerWaalsContact O-N 3.12Å; M61-S64 WeakPolarHBondContact O-CB 3.18Å; M61-S64 PolarHBondContact O-N 3.28Å |
| 62 | K | 61.1 | Low | 64.7 | Low | 190 Ų | 190 | 116.8 Ų | 116.8 | 83% | 0.826 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 118.2 | 176.7 | -169.3 | 175.4 | -179.4 | -177.1 | 0 | 109.1 | | |
| 63 | G | 62.1 | Low | 64.9 | Low | 79 Ų | 79 | 109.9 Ų | 109.9 | 81% | 0.814 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.7 | 2.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | M61 | M61-G63 PolarHBondContact O-N 3.15Å; M61-G63 VanDerWaalsContact O-N 3.12Å |
| 64 | S | 63.9 | Low | 65.1 | Low | 32 Ų | 32 | 108.5 Ų | 108.5 | 22% | 0.224 | 61% | 0.613 | C | S | . | * | | | trans | -58.9 | 133.7 | 170.9 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | M61 L66 G67 | M61-S64 WeakPolarHBondContact O-CB 3.18Å; M61-S64 PolarHBondContact O-N 3.28Å; S64-L66 VanDerWaalsContact O-N 3.07Å; S64-L66 PolarHBondContact OG-N 2.95Å; S64-L66 WeakPolarHBondContact OG-CB 3.46Å; S64-L66 PolarHBondContact O-N 3.27Å; S64-G67 PolarHBondContact O-N 3.28Å |
| 65 | P | 62.7 | Low | 65.4 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -15.2 | 174.4 | 28.2 | -35.1 | 0 | 0 | 0 | 112.3 | G67 R77 | P65-G67 PolarHBondContact O-N 3.47Å; P65-R77 WeakPolarHBondContact O-CD 3.41Å |
| 66 | L | 63.9 | Low | 65.3 | Low | 128 Ų | 128 | 104.8 Ų | 104.8 | 67% | 0.67 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -5 | 176 | -58.1 | 175 | 0 | 0 | 0 | 113 | S64 F75 | S64-L66 VanDerWaalsContact O-N 3.07Å; S64-L66 PolarHBondContact OG-N 2.95Å; S64-L66 WeakPolarHBondContact OG-CB 3.46Å; S64-L66 PolarHBondContact O-N 3.27Å; L66-F75 WeakPolarHBondContact O-CD1 3.29Å |
| 67 | G | 63.3 | Low | 65.1 | Low | 6 Ų | 6 | 106.4 Ų | 106.4 | 6% | 0.062 | 58% | 0.584 | C | S | . | * | | | trans | 78.5 | 165.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P60 S64 P65 F75 D76 | P60-G67 WeakPolarHBondContact CB-O 3.03Å; P60-G67 VanDerWaalsContact CG-O 3.29Å; P60-G67 WeakPolarHBondContact CG-O 3.41Å; S64-G67 PolarHBondContact O-N 3.28Å; P65-G67 PolarHBondContact O-N 3.47Å; G67-F75 WeakPolarHBondContact O-CD1 3.43Å; G67-D76 WeakPolarHBondContact CA-O 3.49Å |
| 68 | V | 65.3 | Low | 64.9 | Low | 53 Ų | 53 | 114 Ų | 114 | 32% | 0.321 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 138 | 172.3 | -93.6 | 0 | 0 | 0 | 0 | 109.3 | N70 D76 | V68-N70 PolarHBondContact O-N 3.06Å; V68-D76 VanDerWaalsContact N-O 3.15Å; V68-D76 PolarHBondContact O-N 3.19Å; V68-D76 PolarHBondContact N-O 3.47Å |
| 69 | R | 64.7 | Low | 64.7 | Low | 173 Ų | 173 | 111.9 Ų | 111.9 | 65% | 0.653 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.4 | 119 | 172.5 | -84.4 | -179 | 158.4 | -171.3 | -5.9 | 109.1 | F75 | R69-F75 HydrophobicContact CG-CD1 4.13Å; R69-F75 HydrophobicContact CG-CD2 4.27Å; R69-F75 HydrophobicContact CG-CE1 3.85Å; R69-F75 HydrophobicContact CG-CE2 3.97Å; R69-F75 HydrophobicContact CG-CG 4.36Å; R69-F75 HydrophobicContact CG-CZ 3.76Å |
| 70 | N | 65.5 | Low | 64.5 | Low | 65 Ų | 65 | 109.7 Ų | 109.7 | 35% | 0.348 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 172.6 | 167.1 | 69.8 | 14.3 | 0 | 0 | 0 | 110.4 | V68 L72 G73 V74 | V68-N70 PolarHBondContact O-N 3.06Å; N70-L72 WeakPolarHBondContact OD1-CA 3.07Å; N70-L72 PolarHBondContact OD1-N 3.02Å; N70-L72 WeakPolarHBondContact OD1-CB 3.16Å; N70-L72 PolarHBondContact O-N 2.89Å; N70-G73 PolarHBondContact O-N 3Å; N70-G73 PolarHBondContact OD1-N 3.07Å; N70-V74 PolarHBondContact N-O 3.43Å; N70-V74 PolarHBondContact OD1-N 3.43Å; N70-V74 PolarHBondContact OD1-O 2.95Å |
| 71 | A | 65.6 | Low | 64.7 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 94% | 0.942 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -15.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 72 | L | 70.7 | Confident | 64.5 | Low | 152 Ų | 152 | 111.2 Ų | 111.2 | 80% | 0.796 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 4.3 | 176.2 | -56.4 | 175.3 | 0 | 0 | 0 | 112.8 | N70 V74 | N70-L72 WeakPolarHBondContact OD1-CA 3.07Å; N70-L72 PolarHBondContact OD1-N 3.02Å; N70-L72 WeakPolarHBondContact OD1-CB 3.16Å; N70-L72 PolarHBondContact O-N 2.89Å; L72-V74 HydrophobicContact CB-CG2 4.35Å; L72-V74 PolarHBondContact O-N 2.9Å |
| 73 | G | 64.6 | Low | 64.7 | Low | 40 Ų | 40 | 106.3 Ų | 106.3 | 41% | 0.412 | 57% | 0.574 | S | S | . | * | S | Bend | trans | 75.9 | 7.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N70 | N70-G73 PolarHBondContact O-N 3Å; N70-G73 PolarHBondContact OD1-N 3.07Å |
| 74 | V | 65 | Low | 64.8 | Low | 84 Ų | 84 | 108.1 Ų | 108.1 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | | | trans | -88.4 | 132.5 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | N70 L72 D76 | N70-V74 PolarHBondContact N-O 3.43Å; N70-V74 PolarHBondContact OD1-N 3.43Å; N70-V74 PolarHBondContact OD1-O 2.95Å; L72-V74 HydrophobicContact CB-CG2 4.35Å; L72-V74 PolarHBondContact O-N 2.9Å; V74-D76 PolarHBondContact O-N 3.08Å |
| 75 | F | 68.8 | Low | 64.9 | Low | 104 Ų | 104 | 113.6 Ų | 113.6 | 46% | 0.456 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.9 | 116.7 | 174 | -78.2 | -85.5 | 0 | 0 | 0 | 109.9 | P60 L66 G67 R69 | P60-F75 HydrophobicContact CG-CE1 4.05Å; L66-F75 WeakPolarHBondContact O-CD1 3.29Å; G67-F75 WeakPolarHBondContact O-CD1 3.43Å; R69-F75 HydrophobicContact CG-CD1 4.13Å; R69-F75 HydrophobicContact CG-CD2 4.27Å; R69-F75 HydrophobicContact CG-CE1 3.85Å; R69-F75 HydrophobicContact CG-CE2 3.97Å; R69-F75 HydrophobicContact CG-CG 4.36Å; R69-F75 HydrophobicContact CG-CZ 3.76Å |
| 76 | D | 65.4 | Low | 65.1 | Low | 89 Ų | 89 | 113.6 Ų | 113.6 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.8 | 178.5 | -163.2 | 5.5 | 0 | 0 | 0 | 110.4 | G67 V68 V74 | G67-D76 WeakPolarHBondContact CA-O 3.49Å; V68-D76 VanDerWaalsContact N-O 3.15Å; V68-D76 PolarHBondContact O-N 3.19Å; V68-D76 PolarHBondContact N-O 3.47Å; V74-D76 PolarHBondContact O-N 3.08Å |
| 77 | R | 62.7 | Low | 65.2 | Low | 205 Ų | 205 | 112.4 Ų | 112.4 | 77% | 0.774 | 56% | 0.562 | S | S | * | * | | | trans | -99 | 100.8 | 172.1 | -76.9 | -167.4 | -82.2 | 161.6 | -7.1 | 106.3 | P65 | P65-R77 WeakPolarHBondContact O-CD 3.41Š|
| 78 | R | 60.7 | Low | 65.4 | Low | 264 Ų | 264 | 122.1 Ų | 122.1 | 100% | 0.996 | 61% | 0.608 | S | S | * | * | | | trans | -57.8 | 0 | 173.1 | -68.1 | -174.4 | -176.3 | -172 | -2.4 | 111.5 | | |