| 1 | M | 35.3 | Very low | 43.4 | Very low | 230 Ų | 230 | 128.5 Ų | 128.5 | 100% | 1.133 | 83% | 0.829 | S | S | * | * | | | | 0 | 99.2 | 0 | -74.1 | 174.8 | 178.1 | 0 | 0 | 106.5 | | |
| 2 | T | 42 | Very low | 43.4 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | | 70.2 | 119.2 | 111.6 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 3 | G | 40.3 | Very low | 43.3 | Very low | 65 Ų | 65 | 128.2 Ų | 128.2 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | | | cis | 169.5 | 178.8 | 7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 4 | S | 51.7 | Low | 43.6 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | 65.3 | 126.3 | 148.9 | -56.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 5 | C | 47.4 | Very low | 43.7 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | | | | -147.7 | 136.6 | 54.8 | 41.9 | 0 | 0 | 0 | 0 | 114 | | |
| 6 | C | 51.5 | Low | 43.3 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 86% | 0.858 | 82% | 0.82 | S | S | * | * | | | trans | -82.1 | 148.6 | 159.8 | 44.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 7 | G | 38.3 | Very low | 43.3 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | | | trans | 113.5 | 119.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 8 | S | 45.8 | Very low | 43.4 | Very low | 126 Ų | 126 | 125 Ų | 125 | 88% | 0.881 | 83% | 0.825 | S | S | * | * | | | cis | -153.3 | 153.7 | 39.6 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 9 | T | 44.8 | Very low | 43 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 68% | 0.675 | 83% | 0.825 | S | S | * | * | | | trans | -66.6 | 148.4 | 179.8 | 1.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 10 | F | 41.9 | Very low | 42.9 | Very low | 185 Ų | 185 | 124.5 Ų | 124.5 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | trans | 55.2 | 117.4 | 154.9 | -53.7 | -66.7 | 0 | 0 | 0 | 119.3 | | |
| 11 | S | 37.9 | Very low | 42.9 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | | | | 160.6 | 119.3 | 104.5 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 12 | S | 44.4 | Very low | 43.3 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | | 66 | 130.4 | 128.9 | -47 | 0 | 0 | 0 | 0 | 120.5 | | |
| 13 | L | 41.6 | Very low | 43.5 | Very low | 148 Ų | 148 | 120.2 Ų | 120.2 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | trans | 77.8 | 90.9 | 160.7 | -80.9 | 77.2 | 0 | 0 | 0 | 117 | Y15 | L13-Y15 VanDerWaalsContact C-N 3.26Å; L13-Y15 PolarHBondContact O-N 3.43Å |
| 14 | S | 47.2 | Very low | 43.1 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -59.5 | 86.9 | 145.7 | -54.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 15 | Y | 44.9 | Very low | 42.4 | Very low | 217 Ų | 217 | 127.7 Ų | 127.7 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | | | trans | -151.1 | 128.5 | 161.5 | -101.8 | -84.6 | 0 | 0 | 0 | 109.7 | L13 | L13-Y15 VanDerWaalsContact C-N 3.26Å; L13-Y15 PolarHBondContact O-N 3.43Å |
| 16 | G | 37.9 | Very low | 41.9 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | 109.9 | 91.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 17 | G | 43.1 | Very low | 41 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | | | | 73 | 116.4 | 113.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 18 | G | 45 | Very low | 41 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | | | trans | 114.8 | 93 | 134 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 19 | C | 36.5 | Very low | 40.4 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -153.6 | 103.7 | 136.4 | 39 | 0 | 0 | 0 | 0 | 109.4 | | |
| 20 | C | 40.3 | Very low | 39.8 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | | | trans | 9.7 | 131.6 | 144.8 | -46.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 21 | Q | 43.8 | Very low | 39.2 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | cis | 168.8 | -179.3 | 34.2 | -115.4 | 162 | -108.3 | 0 | 0 | 104.7 | | |
| 22 | P | 42.7 | Very low | 38.9 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | cis | -124.8 | 176.6 | -29 | 31.3 | -11.2 | 0 | 0 | 0 | 111.8 | C24 | P22-C24 PolarHBondContact O-N 2.93Š|
| 23 | C | 46.9 | Very low | 38.2 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | -39.6 | 123.5 | 172.9 | -53.9 | 0 | 0 | 0 | 0 | 115 | | |
| 24 | C | 32.1 | Very low | 37.7 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | | | trans | -150.7 | 118.9 | 135.6 | -93.1 | 0 | 0 | 0 | 0 | 108.3 | P22 | P22-C24 PolarHBondContact O-N 2.93Š|
| 25 | Y | 35.4 | Very low | 37 | Very low | 208 Ų | 208 | 136.8 Ų | 136.8 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | | | trans | -76.8 | 130.2 | -168.6 | -165.8 | -106.4 | 0 | 0 | 0 | 110.2 | | |
| 26 | R | 37.1 | Very low | 36.3 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | | | trans | 66.2 | 92.8 | 151.3 | -64.7 | -73.7 | 175.4 | 165.8 | -5.2 | 118.2 | | |
| 27 | D | 33.9 | Very low | 36.1 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | | | trans | -103.2 | 110.1 | 144.8 | -145.7 | -70.9 | 0 | 0 | 0 | 107.8 | C29 | D27-C29 VanDerWaalsContact C-N 3.28Å; D27-C29 PolarHBondContact O-N 3.14Å |
| 28 | P | 36.9 | Very low | 35.5 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | trans | -78 | 86.9 | 169.8 | 27.6 | -24.9 | 0 | 0 | 0 | 109.3 | C30 | P28-C30 PolarHBondContact O-N 3.41Š|
| 29 | C | 33.8 | Very low | 35 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 66% | 0.655 | 80% | 0.803 | S | S | * | * | | | trans | -57.2 | 124.5 | 164.7 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | D27 | D27-C29 VanDerWaalsContact C-N 3.28Å; D27-C29 PolarHBondContact O-N 3.14Å |
| 30 | C | 32.3 | Very low | 34.6 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | 57.4 | 87.2 | 133.9 | -54.5 | 0 | 0 | 0 | 0 | 118.9 | P28 | P28-C30 PolarHBondContact O-N 3.41Š|
| 31 | C | 30 | Very low | 34.1 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 92% | 0.919 | 80% | 0.799 | S | S | * | * | | | trans | -96.5 | 114.6 | 149.9 | -69 | 0 | 0 | 0 | 0 | 109.4 | | |
| 32 | R | 31.4 | Very low | 33.4 | Very low | 229 Ų | 229 | 147.6 Ų | 147.6 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -50.7 | 147.5 | 175.2 | -87.3 | 165.3 | 153.2 | -170.9 | -6.8 | 112.7 | V34 | R32-V34 PolarHBondContact O-N 3.17Š|
| 33 | P | 29.1 | Very low | 32.7 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | -70.2 | 118.9 | 174.9 | 28.1 | -31.1 | 0 | 0 | 0 | 110.2 | T35 | P33-T35 PolarHBondContact O-N 3.23Š|
| 34 | V | 31.1 | Very low | 32 | Very low | 120 Ų | 120 | 148 Ų | 148 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -70.7 | 114.6 | 163.1 | 175.8 | 0 | 0 | 0 | 0 | 106.6 | R32 Y36 | R32-V34 PolarHBondContact O-N 3.17Å; V34-Y36 HydrophobicContact CG1-CD2 4.24Å; V34-Y36 PolarHBondContact O-N 3.01Å |
| 35 | T | 33.8 | Very low | 31.9 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | trans | -57.1 | 100.7 | 165.8 | 36.5 | 0 | 0 | 0 | 0 | 108.7 | P33 | P33-T35 PolarHBondContact O-N 3.23Š|
| 36 | Y | 30.3 | Very low | 31.7 | Very low | 211 Ų | 211 | 142.6 Ų | 142.6 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -107.7 | 115.6 | 171 | -138.7 | -97.6 | 0 | 0 | 0 | 108.5 | V34 T38 | V34-Y36 HydrophobicContact CG1-CD2 4.24Å; V34-Y36 PolarHBondContact O-N 3.01Å; Y36-T38 PolarHBondContact O-N 2.98Å |
| 37 | Q | 32.2 | Very low | 31.3 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -52.2 | 134 | -179.1 | -77.9 | 174.6 | -40.9 | 0 | 0 | 111.1 | T39 | Q37-T39 PolarHBondContact O-N 3.29Š|
| 38 | T | 31.6 | Very low | 31.1 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -58.7 | 95.4 | 173.3 | 36.1 | 0 | 0 | 0 | 0 | 110.9 | Y36 V40 | Y36-T38 PolarHBondContact O-N 2.98Å; T38-V40 PolarHBondContact O-N 3.17Å |
| 39 | T | 33.1 | Very low | 30.8 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | | | trans | -84.7 | 95.6 | 156.4 | -47.2 | 0 | 0 | 0 | 0 | 106.1 | Q37 C41 | Q37-T39 PolarHBondContact O-N 3.29Å; T39-C41 PolarHBondContact O-N 2.99Å |
| 40 | V | 28 | Very low | 30.8 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -52.1 | 109.3 | 170.2 | -172.6 | 0 | 0 | 0 | 0 | 106.7 | T38 R42 | T38-V40 PolarHBondContact O-N 3.17Å; V40-R42 VanDerWaalsContact C-N 3.34Å; V40-R42 PolarHBondContact O-N 2.85Å |
| 41 | C | 30.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -62.3 | 103.9 | 169.6 | -73.8 | 0 | 0 | 0 | 0 | 106.3 | T39 | T39-C41 PolarHBondContact O-N 2.99Š|
| 42 | R | 29.6 | Very low | 31 | Very low | 219 Ų | 219 | 149.2 Ų | 149.2 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -43.7 | 133.7 | 167.5 | -77.5 | 174.3 | 158.2 | 165.8 | -6.1 | 107.8 | V40 V44 | V40-R42 VanDerWaalsContact C-N 3.34Å; V40-R42 PolarHBondContact O-N 2.85Å; R42-V44 PolarHBondContact O-N 3.05Å |
| 43 | P | 27.6 | Very low | 31 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | trans | -54.5 | 119.4 | 175.7 | 22.2 | -30.7 | 0 | 0 | 0 | 107.3 | T45 | P43-T45 VanDerWaalsContact C-N 3.26Å; P43-T45 PolarHBondContact O-N 3.46Å |
| 44 | V | 32.5 | Very low | 31.3 | Very low | 124 Ų | 124 | 146 Ų | 146 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | -67 | 98.2 | 170.3 | 178.5 | 0 | 0 | 0 | 0 | 104.6 | R42 C46 | R42-V44 PolarHBondContact O-N 3.05Å; V44-C46 VanDerWaalsContact C-N 3.27Å; V44-C46 PolarHBondContact O-N 3.04Å |
| 45 | T | 29.6 | Very low | 31.1 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -58.9 | 98.4 | 164.3 | 25 | 0 | 0 | 0 | 0 | 106.8 | P43 V47 | P43-T45 VanDerWaalsContact C-N 3.26Å; P43-T45 PolarHBondContact O-N 3.46Å; T45-V47 VanDerWaalsContact C-N 3.28Å; T45-V47 PolarHBondContact O-N 3.16Å |
| 46 | C | 32.4 | Very low | 31 | Very low | 111 Ų | 111 | 147.8 Ų | 147.8 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | | | trans | -64.8 | 92.8 | 169.5 | -57.4 | 0 | 0 | 0 | 0 | 106.9 | V44 P48 | V44-C46 VanDerWaalsContact C-N 3.27Å; V44-C46 PolarHBondContact O-N 3.04Å; C46-P48 WeakPolarHBondContact O-CD 3.29Å |
| 47 | V | 27.3 | Very low | 31.3 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | -61.2 | 119 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 106.1 | T45 R49 | T45-V47 VanDerWaalsContact C-N 3.28Å; T45-V47 PolarHBondContact O-N 3.16Å; V47-R49 PolarHBondContact O-N 2.99Å |
| 48 | P | 30.2 | Very low | 31.3 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | trans | -63.4 | 105 | 176.9 | 24.3 | -30.5 | 0 | 0 | 0 | 107.7 | C46 C50 | C46-P48 WeakPolarHBondContact O-CD 3.29Å; P48-C50 VanDerWaalsContact C-N 3.34Å; P48-C50 PolarHBondContact O-N 2.94Å |
| 49 | R | 30.9 | Very low | 31.5 | Very low | 234 Ų | 234 | 145.4 Ų | 145.4 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -71.3 | 99.9 | 164.7 | -85.5 | -165.8 | 171.3 | 177.4 | -0.9 | 106.2 | V47 T51 | V47-R49 PolarHBondContact O-N 2.99Å; R49-T51 VanDerWaalsContact C-N 3.34Å; R49-T51 PolarHBondContact O-N 2.85Å |
| 50 | C | 34.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 150 Ų | 150 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | -60 | 96.4 | 170.3 | -53.9 | 0 | 0 | 0 | 0 | 108.5 | P48 R52 | P48-C50 VanDerWaalsContact C-N 3.34Å; P48-C50 PolarHBondContact O-N 2.94Å; C50-R52 PolarHBondContact O-N 3.18Å |
| 51 | T | 33.6 | Very low | 31.7 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -66.5 | 112.1 | 161.3 | 24.9 | 0 | 0 | 0 | 0 | 106.7 | R49 P53 | R49-T51 VanDerWaalsContact C-N 3.34Å; R49-T51 PolarHBondContact O-N 2.85Å; T51-P53 WeakPolarHBondContact O-CD 3.05Å |
| 52 | R | 32 | Very low | 32 | Very low | 232 Ų | 232 | 150.9 Ų | 150.9 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | | | trans | -51.2 | 124.4 | 175 | -81.4 | 174.7 | 137.5 | -175.5 | -5.7 | 109.1 | C50 I54 | C50-R52 PolarHBondContact O-N 3.18Å; R52-I54 PolarHBondContact O-N 3.06Å |
| 53 | P | 31.9 | Very low | 32.1 | Very low | 113 Ų | 113 | 146 Ų | 146 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -67.6 | 126.7 | 171.2 | 25.8 | -30 | 0 | 0 | 0 | 109 | T51 C55 | T51-P53 WeakPolarHBondContact O-CD 3.05Å; P53-C55 PolarHBondContact O-N 3.37Å |
| 54 | I | 34.6 | Very low | 32.3 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -77.9 | 72.1 | 166.6 | -49.8 | 166.7 | 0 | 0 | 0 | 105.9 | R52 | R52-I54 PolarHBondContact O-N 3.06Š|
| 55 | C | 27.4 | Very low | 32.2 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 176.2 | 136.2 | 163.1 | -90 | 0 | 0 | 0 | 0 | 108.4 | P53 | P53-C55 PolarHBondContact O-N 3.37Š|
| 56 | E | 31.9 | Very low | 32.3 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -58.8 | 165.3 | -173.2 | -122.5 | 129.3 | 144.7 | 0 | 0 | 115.7 | | |
| 57 | P | 37.1 | Very low | 32.4 | Very low | 104 Ų | 104 | 147 Ų | 147 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | | | trans | -92.2 | 122.3 | -136.9 | 35 | -35.9 | 0 | 0 | 0 | 114.9 | R59 | P57-R59 PolarHBondContact O-N 3.07Š|
| 58 | C | 31.9 | Very low | 32.5 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | | | trans | -80.6 | 107.9 | 150 | -75.7 | 0 | 0 | 0 | 0 | 108.4 | R60 | C58-R60 PolarHBondContact O-N 3.1Š|
| 59 | R | 36 | Very low | 32.6 | Very low | 236 Ų | 236 | 150 Ų | 150 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -65.2 | 92.1 | 177.8 | -74.2 | -167.9 | 177 | 149.5 | -0.3 | 111.5 | P57 | P57-R59 PolarHBondContact O-N 3.07Š|
| 60 | R | 31.4 | Very low | 32.5 | Very low | 222 Ų | 222 | 147.4 Ų | 147.4 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | | | trans | 167.7 | 117.4 | 138.1 | -96.6 | 163.4 | 168.8 | 177.5 | -4 | 107.8 | C58 V62 | C58-R60 PolarHBondContact O-N 3.1Å; R60-V62 PolarHBondContact O-N 3.14Å; R60-V62 VanDerWaalsContact O-N 3.14Å |
| 61 | P | 32.9 | Very low | 32.6 | Very low | 128 Ų | 128 | 151 Ų | 151 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | | | trans | -63.1 | 117.7 | 165.9 | 25.4 | -29 | 0 | 0 | 0 | 107.6 | C63 | P61-C63 VanDerWaalsContact C-N 3.3Å; P61-C63 PolarHBondContact O-N 2.99Å |
| 62 | V | 35.7 | Very low | 32.6 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | | | trans | -66.5 | 99.9 | 163.2 | 176.1 | 0 | 0 | 0 | 0 | 105.3 | R60 C64 | R60-V62 PolarHBondContact O-N 3.14Å; R60-V62 VanDerWaalsContact O-N 3.14Å; V62-C64 PolarHBondContact O-N 2.88Å; V62-C64 VanDerWaalsContact O-N 3.17Å |
| 63 | C | 31.8 | Very low | 32.5 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | trans | -69.6 | 106.7 | 168.9 | -130.1 | 0 | 0 | 0 | 0 | 105.9 | P61 D65 | P61-C63 VanDerWaalsContact C-N 3.3Å; P61-C63 PolarHBondContact O-N 2.99Å; C63-D65 PolarHBondContact O-N 3.37Å |
| 64 | C | 32.4 | Very low | 32.6 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | | | trans | -73.4 | 110.2 | 164.6 | -62.2 | 0 | 0 | 0 | 0 | 106.5 | V62 | V62-C64 PolarHBondContact O-N 2.88Å; V62-C64 VanDerWaalsContact O-N 3.17Å |
| 65 | D | 31 | Very low | 32.4 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | -50.9 | 139 | 168.6 | -92.2 | -70 | 0 | 0 | 0 | 109.9 | C63 C67 | C63-D65 PolarHBondContact O-N 3.37Å; D65-C67 PolarHBondContact O-N 3.11Å |
| 66 | P | 31.1 | Very low | 32.4 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -68.6 | 107.3 | 175.1 | 27.8 | -30.5 | 0 | 0 | 0 | 108.2 | S68 | P66-S68 PolarHBondContact O-N 3.06Š|
| 67 | C | 34.2 | Very low | 32.6 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -53.4 | 118.7 | 168.2 | -73.1 | 0 | 0 | 0 | 0 | 108.8 | D65 L69 | D65-C67 PolarHBondContact O-N 3.11Å; C67-L69 PolarHBondContact O-N 2.97Å; C67-L69 VanDerWaalsContact O-N 3.14Å |
| 68 | S | 30.5 | Very low | 32.3 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | -45.2 | 117 | 164.1 | 44.2 | 0 | 0 | 0 | 0 | 109.7 | P66 Q70 | P66-S68 PolarHBondContact O-N 3.06Å; S68-Q70 PolarHBondContact O-N 3.22Å |
| 69 | L | 32.3 | Very low | 32.3 | Very low | 183 Ų | 183 | 142 Ų | 142 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | | | trans | -54.4 | 104.6 | 167.3 | -87.3 | 151.6 | 0 | 0 | 0 | 108.7 | C67 | C67-L69 PolarHBondContact O-N 2.97Å; C67-L69 VanDerWaalsContact O-N 3.14Å |
| 70 | Q | 28.6 | Very low | 32.1 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | trans | -104.2 | 126.8 | 164.1 | -164.2 | 156.8 | 12.8 | 0 | 0 | 108.2 | S68 | S68-Q70 PolarHBondContact O-N 3.22Š|
| 71 | E | 35.6 | Very low | 32.2 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -58.9 | 141.4 | -177.7 | -69.5 | -177.5 | 120.3 | 0 | 0 | 111.9 | | |
| 72 | G | 34.4 | Very low | 32.2 | Very low | 41 Ų | 41 | 130.9 Ų | 130.9 | 42% | 0.423 | 77% | 0.774 | S | S | . | * | S | Bend | trans | 93.1 | 114.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 73 | C | 30.4 | Very low | 32 | Very low | 117 Ų | 117 | 130 Ų | 130 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | 80.8 | 82.4 | 171.2 | -49.9 | 0 | 0 | 0 | 0 | 115.2 | R75 | C73-R75 VanDerWaalsContact C-N 3.29Å; C73-R75 PolarHBondContact O-N 3.04Å |
| 74 | C | 32.7 | Very low | 32.1 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | | | trans | -60.2 | 93.7 | 155.5 | -60.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 75 | R | 30.5 | Very low | 32.1 | Very low | 220 Ų | 220 | 129.7 Ų | 129.7 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | | | trans | -69.8 | 131.4 | 159.5 | -68.3 | -171.9 | 178.8 | -144.3 | 0.6 | 107.1 | C73 I77 | C73-R75 VanDerWaalsContact C-N 3.29Å; C73-R75 PolarHBondContact O-N 3.04Å; R75-I77 PolarHBondContact O-N 2.88Å |
| 76 | P | 28.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | -66.1 | 114.5 | 177.1 | 25.8 | -30.6 | 0 | 0 | 0 | 108.2 | T78 | P76-T78 PolarHBondContact O-N 3.19Å; P76-T78 VanDerWaalsContact O-N 3.16Å |
| 77 | I | 35.4 | Very low | 32 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | | | trans | -65.1 | 113.6 | 165.6 | -61.3 | 173 | 0 | 0 | 0 | 105.3 | R75 C79 | R75-I77 PolarHBondContact O-N 2.88Å; I77-C79 HydrophobicContact CG2-CB 4.49Å; I77-C79 PolarHBondContact O-N 2.89Å; I77-C79 PolarHBondContact O-SG 3.41Å; I77-C79 VanDerWaalsContact O-SG 3.37Å |
| 78 | T | 29.9 | Very low | 31.7 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | -71.8 | 78.3 | 171.5 | -45.1 | 0 | 0 | 0 | 0 | 108.2 | P76 C80 | P76-T78 PolarHBondContact O-N 3.19Å; P76-T78 VanDerWaalsContact O-N 3.16Å; T78-C80 PolarHBondContact O-N 2.86Å |
| 79 | C | 32.9 | Very low | 31.9 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | trans | -84.3 | 105.5 | 166.8 | 32.1 | 0 | 0 | 0 | 0 | 107.3 | I77 P81 | I77-C79 HydrophobicContact CG2-CB 4.49Å; I77-C79 PolarHBondContact O-N 2.89Å; I77-C79 PolarHBondContact O-SG 3.41Å; I77-C79 VanDerWaalsContact O-SG 3.37Å; C79-P81 WeakPolarHBondContact O-CD 3.49Å |
| 80 | C | 32.2 | Very low | 31.9 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | -67.9 | 112.8 | 169.9 | -65.9 | 0 | 0 | 0 | 0 | 109.5 | T78 | T78-C80 PolarHBondContact O-N 2.86Š|
| 81 | P | 33.2 | Very low | 32 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 53% | 0.532 | 75% | 0.746 | S | S | . | * | | | trans | -106.4 | 110.6 | 173.3 | 19 | 3.8 | 0 | 0 | 0 | 108.7 | C79 S83 C84 | C79-P81 WeakPolarHBondContact O-CD 3.49Å; P81-S83 PolarHBondContact O-N 2.95Å; P81-S83 VanDerWaalsContact O-N 3.1Å; P81-C84 HydrophobicContact CB-CB 3.7Å; P81-C84 WeakPolarHBondContact CB-SG 3.3Å; P81-C84 HydrophobicContact CG-CB 4.19Å |
| 82 | T | 33.5 | Very low | 31.9 | Very low | 153 Ų | 153 | 122 Ų | 122 | 94% | 0.939 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 4.1 | 172.1 | 21.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 83 | S | 31 | Very low | 31.9 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.3 | 63.6 | 175.5 | 47.7 | 0 | 0 | 0 | 0 | 113.3 | P81 | P81-S83 PolarHBondContact O-N 2.95Å; P81-S83 VanDerWaalsContact O-N 3.1Å |
| 84 | C | 33.1 | Very low | 31.8 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 57% | 0.574 | 75% | 0.748 | S | S | * | * | | | trans | -123.8 | 116.3 | 171.7 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | P81 A86 | P81-C84 HydrophobicContact CB-CB 3.7Å; P81-C84 WeakPolarHBondContact CB-SG 3.3Å; P81-C84 HydrophobicContact CG-CB 4.19Å; C84-A86 PolarHBondContact O-N 2.96Å |
| 85 | T | 32 | Very low | 31.7 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | | | trans | -46.7 | 132.3 | 155.4 | 35.1 | 0 | 0 | 0 | 0 | 108.7 | V87 | T85-V87 PolarHBondContact O-N 3Š|
| 86 | A | 28.2 | Very low | 31.7 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | | | trans | -51.2 | 102.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C84 V88 | C84-A86 PolarHBondContact O-N 2.96Å; A86-V88 PolarHBondContact O-N 3.03Å |
| 87 | V | 32.5 | Very low | 31.8 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | -78.9 | 100.6 | 164.6 | -178.4 | 0 | 0 | 0 | 0 | 105.8 | T85 C89 | T85-V87 PolarHBondContact O-N 3Å; V87-C89 VanDerWaalsContact C-N 3.34Å; V87-C89 PolarHBondContact O-N 2.89Å |
| 88 | V | 28.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 121 Ų | 121 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | trans | -67.7 | 97.2 | 171.3 | -180 | 0 | 0 | 0 | 0 | 107.3 | A86 R90 | A86-V88 PolarHBondContact O-N 3.03Å; V88-R90 VanDerWaalsContact C-N 3.34Å; V88-R90 PolarHBondContact O-N 2.88Å |
| 89 | C | 33.2 | Very low | 31.8 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | trans | -64.4 | 98.8 | 163 | -67.8 | 0 | 0 | 0 | 0 | 107 | V87 P91 | V87-C89 VanDerWaalsContact C-N 3.34Å; V87-C89 PolarHBondContact O-N 2.89Å; C89-P91 WeakPolarHBondContact O-CD 3.32Å |
| 90 | R | 33 | Very low | 31.7 | Very low | 224 Ų | 224 | 124.1 Ų | 124.1 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | | | trans | -64.6 | 111.5 | 166.5 | -98.8 | 176.2 | 161.6 | -174.8 | -5 | 107 | V88 C92 | V88-R90 VanDerWaalsContact C-N 3.34Å; V88-R90 PolarHBondContact O-N 2.88Å; R90-C92 PolarHBondContact O-N 2.97Å |
| 91 | P | 31.7 | Very low | 31.6 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | trans | -66.6 | 128.4 | 171.9 | 26.9 | -27 | 0 | 0 | 0 | 107.7 | C89 C93 | C89-P91 WeakPolarHBondContact O-CD 3.32Å; P91-C93 VanDerWaalsContact C-N 3.32Å; P91-C93 PolarHBondContact O-N 2.86Å |
| 92 | C | 33.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | -69.8 | 93 | 166.9 | -70.3 | 0 | 0 | 0 | 0 | 107.9 | R90 | R90-C92 PolarHBondContact O-N 2.97Š|
| 93 | C | 34.3 | Very low | 31.7 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | | | trans | -92.3 | 118.8 | 169.4 | -48.8 | 0 | 0 | 0 | 0 | 108.3 | P91 | P91-C93 VanDerWaalsContact C-N 3.32Å; P91-C93 PolarHBondContact O-N 2.86Å |
| 94 | W | 28.4 | Very low | 31.8 | Very low | 204 Ų | 204 | 125.2 Ų | 125.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | -80.8 | 128.5 | 168.5 | -11.4 | -61.7 | 0 | 0 | 0 | 108.2 | | |
| 95 | A | 29.6 | Very low | 31.7 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 62.5 | 113.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 96 | T | 30.5 | Very low | 31.8 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 67.2 | 108.7 | 145.7 | 33.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 97 | T | 30.9 | Very low | 32 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 74.8 | 125.3 | 148.4 | -36.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 98 | C | 31.4 | Very low | 32.1 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | 53.3 | 80.8 | 167.2 | 64.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 99 | C | 33.3 | Very low | 32.2 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | | | trans | -114.8 | 101.6 | 143.1 | -68.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 100 | Q | 30.6 | Very low | 32.3 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | trans | -56.6 | 139.4 | 168.9 | -74.2 | 173.1 | -10.6 | 0 | 0 | 108.5 | V102 | Q100-V102 PolarHBondContact O-N 3.2Š|
| 101 | P | 30.5 | Very low | 32.4 | Very low | 125 Ų | 125 | 128 Ų | 128 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | trans | -61.5 | 115.5 | 173.7 | 25.4 | -31.3 | 0 | 0 | 0 | 108.2 | S103 | P101-S103 PolarHBondContact O-N 2.97Š|
| 102 | V | 36.8 | Very low | 32.6 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | | | trans | -67 | 104.6 | 167 | 174.9 | 0 | 0 | 0 | 0 | 106.1 | Q100 V104 | Q100-V102 PolarHBondContact O-N 3.2Å; V102-V104 PolarHBondContact O-N 3.32Å |
| 103 | S | 32.9 | Very low | 32.7 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | -61.6 | 100.9 | 168.5 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | P101 Q105 | P101-S103 PolarHBondContact O-N 2.97Å; S103-Q105 VanDerWaalsContact C-N 3.34Å; S103-Q105 PolarHBondContact O-N 3.13Å |
| 104 | V | 32.5 | Very low | 32.7 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | | | trans | -77.5 | 94.3 | 172.4 | -162.3 | 0 | 0 | 0 | 0 | 106.1 | V102 S106 | V102-V104 PolarHBondContact O-N 3.32Å; V104-S106 PolarHBondContact O-N 2.99Å; V104-S106 VanDerWaalsContact O-N 3.11Å |
| 105 | Q | 31.9 | Very low | 33.2 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -66.2 | 109.9 | 172.4 | -154.4 | 156.8 | 10.5 | 0 | 0 | 107.2 | S103 | S103-Q105 VanDerWaalsContact C-N 3.34Å; S103-Q105 PolarHBondContact O-N 3.13Å |
| 106 | S | 32.8 | Very low | 33.6 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | | | trans | -54.5 | 129 | 175.4 | 46.2 | 0 | 0 | 0 | 0 | 109.2 | V104 C108 | V104-S106 PolarHBondContact O-N 2.99Å; V104-S106 VanDerWaalsContact O-N 3.11Å; S106-C108 PolarHBondContact O-N 2.87Å |
| 107 | P | 32.3 | Very low | 34.1 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | | | trans | -67.1 | 105.8 | 173.6 | 26.9 | -29.7 | 0 | 0 | 0 | 107 | C109 | P107-C109 PolarHBondContact O-N 3.16Š|
| 108 | C | 34.6 | Very low | 34.7 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -60.4 | 115.7 | 169.8 | -70.3 | 0 | 0 | 0 | 0 | 107.6 | S106 R110 | S106-C108 PolarHBondContact O-N 2.87Å; C108-R110 PolarHBondContact O-N 2.95Å; C108-R110 VanDerWaalsContact O-N 3.17Å |
| 109 | C | 32.1 | Very low | 35.1 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -47 | 119.6 | 173.3 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | P107 P111 | P107-C109 PolarHBondContact O-N 3.16Å; C109-P111 VanDerWaalsContact O-CD 3.29Å; C109-P111 WeakPolarHBondContact O-CD 3.15Å |
| 110 | R | 34.7 | Very low | 35.5 | Very low | 219 Ų | 219 | 129.1 Ų | 129.1 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.3 | 167.3 | -169 | 178.2 | -165.7 | -122.6 | 3.7 | 107.7 | C108 | C108-R110 PolarHBondContact O-N 2.95Å; C108-R110 VanDerWaalsContact O-N 3.17Å |
| 111 | P | 34.5 | Very low | 35.9 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 145.9 | 170.5 | 23.8 | -21 | 0 | 0 | 0 | 109.7 | C109 | C109-P111 VanDerWaalsContact O-CD 3.29Å; C109-P111 WeakPolarHBondContact O-CD 3.15Å |
| 112 | P | 37.4 | Very low | 36.3 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 147.8 | 178.8 | 27 | -31.6 | 0 | 0 | 0 | 111.2 | G114 | P112-G114 PolarHBondContact O-N 3.29Š|
| 113 | C | 35.8 | Very low | 36.3 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 123.2 | -169.7 | -47.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 114 | G | 33.3 | Very low | 36.7 | Very low | 72 Ų | 72 | 129.9 Ų | 129.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | -139.7 | 135.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | P112 | P112-G114 PolarHBondContact O-N 3.29Š|
| 115 | Q | 38.4 | Very low | 37 | Very low | 186 Ų | 186 | 129.7 Ų | 129.7 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | -52 | 154.6 | -161.8 | -76.8 | 173.4 | -59.9 | 0 | 0 | 117 | T117 | Q115-T117 PolarHBondContact O-N 3.34Š|
| 116 | P | 38.7 | Very low | 37.2 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -71.6 | 111.1 | -176.8 | 29.2 | -33 | 0 | 0 | 0 | 111.4 | | |
| 117 | T | 41.5 | Very low | 37.5 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | -78.2 | 128 | 160 | 40.3 | 0 | 0 | 0 | 0 | 108.9 | Q115 C119 | Q115-T117 PolarHBondContact O-N 3.34Å; T117-C119 PolarHBondContact O-N 2.96Å |
| 118 | P | 42.6 | Very low | 37.9 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | -63.7 | 120.7 | -176.6 | 23.8 | -31 | 0 | 0 | 0 | 110.2 | S120 | P118-S120 PolarHBondContact O-N 3.46Š|
| 119 | C | 39.6 | Very low | 38.1 | Very low | 119 Ų | 119 | 137 Ų | 137 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -64.3 | 98.4 | 169.3 | 2.7 | 0 | 0 | 0 | 0 | 108.1 | T117 T121 | T117-C119 PolarHBondContact O-N 2.96Å; C119-T121 PolarHBondContact O-N 3.4Å |
| 120 | S | 41.7 | Very low | 38.4 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | trans | -71.1 | 98.2 | 163.2 | 63.8 | 0 | 0 | 0 | 0 | 107.7 | P118 T122 | P118-S120 PolarHBondContact O-N 3.46Å; S120-T122 PolarHBondContact O-N 2.94Å |
| 121 | T | 39.7 | Very low | 38.6 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | | | trans | -65.6 | 87.6 | 166.3 | -54.5 | 0 | 0 | 0 | 0 | 108.3 | C119 C123 | C119-T121 PolarHBondContact O-N 3.4Å; T121-C123 PolarHBondContact O-N 3.33Å |
| 122 | T | 37.9 | Very low | 38.8 | Very low | 108 Ų | 108 | 135 Ų | 135 | 66% | 0.663 | 82% | 0.816 | S | S | * | * | | | trans | -82.4 | 90 | 163 | -55 | 0 | 0 | 0 | 0 | 107.4 | S120 R124 | S120-T122 PolarHBondContact O-N 2.94Å; T122-R124 VanDerWaalsContact C-N 3.34Å; T122-R124 HydrophobicContact CG2-CG 4.3Å; T122-R124 PolarHBondContact O-N 3.26Å |
| 123 | C | 37.8 | Very low | 38.9 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 70% | 0.703 | 82% | 0.816 | S | S | * | * | | | trans | -60 | 99.3 | 160.6 | -68.9 | 0 | 0 | 0 | 0 | 107.6 | T121 T125 | T121-C123 PolarHBondContact O-N 3.33Å; C123-T125 PolarHBondContact O-N 3.42Å; C123-T125 VanDerWaalsContact O-N 3.13Å |
| 124 | R | 40.6 | Very low | 39.1 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 82% | 0.823 | 82% | 0.816 | S | S | * | * | | | trans | -72.5 | 102.7 | 162 | -73.7 | -170.8 | -179.5 | 179.7 | 1 | 106.9 | T122 F126 | T122-R124 VanDerWaalsContact C-N 3.34Å; T122-R124 HydrophobicContact CG2-CG 4.3Å; T122-R124 PolarHBondContact O-N 3.26Å; R124-F126 PolarHBondContact O-N 3.03Å; R124-F126 VanDerWaalsContact O-N 3.16Å |
| 125 | T | 39 | Very low | 39.6 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | trans | -46.7 | 113.1 | 157.9 | 36.3 | 0 | 0 | 0 | 0 | 108.9 | C123 S127 | C123-T125 PolarHBondContact O-N 3.42Å; C123-T125 VanDerWaalsContact O-N 3.13Å; T125-S127 PolarHBondContact O-N 2.95Å |
| 126 | F | 37.2 | Very low | 39.7 | Very low | 214 Ų | 214 | 137.8 Ų | 137.8 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | | | trans | -75.3 | 108.6 | 159.2 | -92.7 | -91 | 0 | 0 | 0 | 106.9 | R124 | R124-F126 PolarHBondContact O-N 3.03Å; R124-F126 VanDerWaalsContact O-N 3.16Å |
| 127 | S | 39 | Very low | 39.7 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | | | trans | -108.1 | 118.7 | 165.6 | 47.5 | 0 | 0 | 0 | 0 | 108.2 | T125 | T125-S127 PolarHBondContact O-N 2.95Š|
| 128 | C | 40.3 | Very low | 39.6 | Very low | 210 Ų | 210 | 139.9 Ų | 139.9 | 100% | 1.419 | 82% | 0.821 | S | S | * | * | | | trans | 177 | 0 | 131.8 | -89.2 | 0 | 0 | 0 | 0 | 108 | | |