| 1 | M | 23.1 | Very low | 22.7 | Very low | 233 Ų | 233 | 154.5 Ų | 154.5 | 100% | 1.148 | 81% | 0.806 | S | S | * | * | | | | 0 | 136.6 | 0 | -147.5 | 172.4 | -164 | 0 | 0 | 106.7 | | |
| 2 | C | 20.6 | Very low | 22.8 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | | | trans | 65.8 | 143.5 | 179.8 | -45.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 3 | H | 21.4 | Very low | 22.7 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | | | cis | -157.6 | 145.4 | -32.7 | -111.4 | -69 | 0 | 0 | 0 | 107.1 | | |
| 4 | L | 21.2 | Very low | 22.7 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | | | trans | -68.1 | 146.8 | 167.1 | -79.1 | 106.7 | 0 | 0 | 0 | 110.2 | | |
| 5 | F | 24 | Very low | 22.7 | Very low | 213 Ų | 213 | 141.4 Ų | 141.4 | 93% | 0.934 | 79% | 0.793 | S | S | * | * | | | trans | -135.8 | 126.1 | 134.7 | -93.8 | -75.7 | 0 | 0 | 0 | 110.7 | | |
| 6 | N | 21.4 | Very low | 22.7 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 66% | 0.658 | 79% | 0.794 | S | S | * | * | | | trans | -107 | 165.6 | 174.4 | -159.9 | 16.2 | 0 | 0 | 0 | 107.7 | | |
| 7 | N | 22.8 | Very low | 22.7 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | 72.1 | 145.3 | -179.6 | -33.7 | -37 | 0 | 0 | 0 | 112.8 | | |
| 8 | S | 23.4 | Very low | 22.8 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | cis | -147.8 | 146.9 | 13.6 | -47.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 9 | F | 25.4 | Very low | 22.7 | Very low | 216 Ų | 216 | 136.4 Ų | 136.4 | 95% | 0.947 | 77% | 0.765 | S | S | * | * | | | trans | -79.6 | 129.9 | 151.8 | -90.1 | -91.6 | 0 | 0 | 0 | 107.8 | | |
| 10 | P | 23.7 | Very low | 22.8 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | | | trans | -137 | 154.1 | 132.7 | 34.7 | -21.3 | 0 | 0 | 0 | 113.5 | | |
| 11 | D | 22.6 | Very low | 22.8 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | | | trans | 64.2 | 127.2 | 155.1 | -56.8 | -28.3 | 0 | 0 | 0 | 122.1 | | |
| 12 | S | 24.4 | Very low | 22.8 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | | | trans | -66.3 | 159.2 | 167.8 | 52 | 0 | 0 | 0 | 0 | 113.2 | | |
| 13 | S | 21.8 | Very low | 22.9 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | 88.4 | 152.5 | 175.3 | 83.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 14 | A | 22.7 | Very low | 23 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | | | trans | 71.8 | 125.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 15 | C | 22.4 | Very low | 23.1 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | trans | 61.3 | 108.8 | 154.7 | -55.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 16 | E | 22.1 | Very low | 23 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | | 52.9 | 136.8 | 72.8 | -59.7 | -160.2 | 142.6 | 0 | 0 | 114.4 | | |
| 17 | H | 23.9 | Very low | 23.1 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | trans | 94.8 | 123 | -178.8 | -56.5 | 82.2 | 0 | 0 | 0 | 117.6 | R210 | H17-R210 PolarHBondContact O-NH2 3.23Š|
| 18 | G | 23 | Very low | 23.2 | Very low | 37 Ų | 37 | 128.4 Ų | 128.4 | 38% | 0.381 | 75% | 0.751 | S | S | . | * | | | | 118.4 | -103.2 | 98.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R210 | G18-R210 VanDerWaalsContact C-CZ 3.44Å; G18-R210 PolarHBondContact O-NE 3.47Å; G18-R210 VanDerWaalsContact O-NE 3.11Å; G18-R210 PolarHBondContact O-NH2 3.11Å |
| 19 | S | 22.3 | Very low | 23.1 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | | -54.4 | 144.5 | -129.6 | -48.6 | 0 | 0 | 0 | 0 | 117.3 | R210 | S19-R210 VanDerWaalsContact N-NH2 3.12Å; S19-R210 PolarHBondContact O-NE 2.99Å |
| 20 | I | 23.8 | Very low | 23.1 | Very low | 104 Ų | 104 | 122 Ų | 122 | 53% | 0.533 | 75% | 0.752 | S | S | . | * | | | trans | -129.4 | 116.1 | -166.6 | -80.9 | 167.9 | 0 | 0 | 0 | 107.1 | D209 | I20-D209 VanDerWaalsContact CA-OD2 3.29Å; I20-D209 WeakPolarHBondContact CA-OD2 2.98Å; I20-D209 WeakPolarHBondContact CB-OD2 3.48Å; I20-D209 WeakPolarHBondContact CG2-OD2 3.29Å |
| 21 | V | 22.8 | Very low | 23 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 65% | 0.648 | 77% | 0.765 | S | S | * | * | | | trans | -104.8 | 96.3 | -175.5 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | L23 D209 | V21-L23 PolarHBondContact O-N 3.22Å; V21-D209 VanDerWaalsContact N-CG 3.29Å; V21-D209 PolarHBondContact N-OD2 3.49Å; V21-D209 VanDerWaalsContact O-CG 3.31Å |
| 22 | R | 23.5 | Very low | 23.2 | Very low | 221 Ų | 221 | 119.8 Ų | 119.8 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | | | trans | -74.8 | 103.4 | -173.2 | -164.3 | 179.2 | -165.4 | 165.5 | 1.9 | 112.4 | T24 | R22-T24 PolarHBondContact O-N 3.34Š|
| 23 | L | 23.1 | Very low | 23.1 | Very low | 165 Ų | 165 | 120.4 Ų | 120.4 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 116.5 | 170.8 | -71.5 | 174.2 | 0 | 0 | 0 | 111.3 | V21 | V21-L23 PolarHBondContact O-N 3.22Š|
| 24 | T | 22.5 | Very low | 23.2 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -83 | 155.8 | 177.1 | 41.9 | 0 | 0 | 0 | 0 | 112.3 | R22 G26 | R22-T24 PolarHBondContact O-N 3.34Å; T24-G26 PolarHBondContact O-N 3.28Å |
| 25 | S | 23.4 | Very low | 23.3 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 118 | -171 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 26 | G | 23.3 | Very low | 23.4 | Very low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | | | trans | -127.2 | 129.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T24 L28 | T24-G26 PolarHBondContact O-N 3.28Å; G26-L28 PolarHBondContact O-N 3.27Å |
| 27 | T | 21.8 | Very low | 23.5 | Very low | 152 Ų | 152 | 127.1 Ų | 127.1 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | | | trans | -34.5 | 118.7 | 176.4 | 35.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 28 | L | 25.4 | Very low | 23.5 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | | | trans | -124.9 | 95.1 | 167.6 | -89.3 | 165.1 | 0 | 0 | 0 | 110.6 | G26 | G26-L28 PolarHBondContact O-N 3.27Š|
| 29 | A | 21.6 | Very low | 23.7 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | | | trans | -80.7 | 127 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 30 | G | 25.4 | Very low | 23.8 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | -172.7 | 111.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 31 | S | 22.4 | Very low | 24 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77 | 126.2 | -178.4 | 34.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 32 | A | 26.3 | Very low | 24.2 | Very low | 77 Ų | 77 | 143.3 Ų | 143.3 | 64% | 0.636 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 119.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | F34 | A32-F34 HydrophobicContact CB-CE2 4.4Å; A32-F34 WeakPolarHBondContact O-CD2 3.41Å |
| 33 | S | 22.6 | Very low | 24.4 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 129.2 | 174.1 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 34 | F | 24.1 | Very low | 24.5 | Very low | 192 Ų | 192 | 137.4 Ų | 137.4 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | | | trans | -99.1 | 90.1 | -177 | -70.2 | -90.8 | 0 | 0 | 0 | 111.5 | A32 S36 | A32-F34 HydrophobicContact CB-CE2 4.4Å; A32-F34 WeakPolarHBondContact O-CD2 3.41Å; F34-S36 PolarHBondContact O-N 2.69Å |
| 35 | A | 23.3 | Very low | 24.8 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -80.5 | 78.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R37 | A35-R37 PolarHBondContact O-N 2.72Å; A35-R37 VanDerWaalsContact O-N 3.14Å |
| 36 | S | 25.5 | Very low | 25 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -80.4 | 86.7 | 174.7 | -171 | 0 | 0 | 0 | 0 | 111.3 | F34 R38 | F34-S36 PolarHBondContact O-N 2.69Å; S36-R38 PolarHBondContact O-N 3.36Å |
| 37 | R | 24.1 | Very low | 25.3 | Very low | 231 Ų | 231 | 140.3 Ų | 140.3 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | | | trans | -81.4 | 95.6 | 173.2 | -138.6 | -180 | -154.8 | -150.8 | 5.3 | 109.6 | A35 T39 | A35-R37 PolarHBondContact O-N 2.72Å; A35-R37 VanDerWaalsContact O-N 3.14Å; R37-T39 PolarHBondContact O-N 3Å |
| 38 | R | 24.1 | Very low | 25.5 | Very low | 231 Ų | 231 | 137.7 Ų | 137.7 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | trans | -70.6 | 102.6 | 169.4 | -69.3 | -176.5 | -177.9 | 178.3 | 1.4 | 109.6 | S36 | S36-R38 PolarHBondContact O-N 3.36Š|
| 39 | T | 26.3 | Very low | 25.7 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | | | trans | -112.3 | 107.8 | 155.7 | 48.1 | 0 | 0 | 0 | 0 | 106.6 | R37 D41 | R37-T39 PolarHBondContact O-N 3Å; T39-D41 PolarHBondContact O-N 2.92Å |
| 40 | M | 25.1 | Very low | 26 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 91% | 0.911 | 74% | 0.736 | S | S | * | * | | | trans | -76.1 | 112.5 | 171.4 | -72.2 | -165.2 | -66 | 0 | 0 | 107.9 | | |
| 41 | D | 26.9 | Very low | 26.1 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | trans | -137.2 | 140 | 158.4 | -91.6 | -53 | 0 | 0 | 0 | 107.3 | T39 D43 | T39-D41 PolarHBondContact O-N 2.92Å; D41-D43 PolarHBondContact O-N 2.88Å |
| 42 | D | 27.2 | Very low | 26.4 | Very low | 174 Ų | 174 | 140 Ų | 140 | 93% | 0.93 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -75.3 | 64.3 | -169.3 | -80.1 | -54 | 0 | 0 | 0 | 113.1 | | |
| 43 | D | 27.5 | Very low | 26.5 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 59% | 0.588 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -160.5 | 140.8 | 154.4 | -125.3 | -12.3 | 0 | 0 | 0 | 116.2 | D41 | D41-D43 PolarHBondContact O-N 2.88Š|
| 44 | K | 26.2 | Very low | 26.7 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 35.4 | 104.8 | 145 | -65.2 | 157.6 | -169.1 | 110 | 0 | 118 | | |
| 45 | S | 28.8 | Very low | 26.8 | Very low | 72 Ų | 72 | 137 Ų | 137 | 50% | 0.503 | 70% | 0.698 | S | S | . | * | | | trans | 83.3 | 104.3 | 157.9 | 75.4 | 0 | 0 | 0 | 0 | 118.9 | R47 | S45-R47 PolarHBondContact O-N 3.02Å; S45-R47 VanDerWaalsContact O-N 3.12Å |
| 46 | T | 27.5 | Very low | 26.9 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 63% | 0.632 | 67% | 0.674 | S | S | * | * | | | trans | -67.4 | 103.2 | 165.5 | -34.1 | 0 | 0 | 0 | 0 | 110.5 | L48 V69 | T46-L48 PolarHBondContact O-N 2.83Å; T46-V69 VanDerWaalsContact O-O 3.12Å |
| 47 | R | 28.9 | Very low | 27.1 | Very low | 200 Ų | 200 | 138.3 Ų | 138.3 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | | | trans | -72.9 | 92.2 | 177.5 | -69.6 | -175.8 | 179.8 | 179.8 | 1.8 | 111.5 | S45 R49 | S45-R47 PolarHBondContact O-N 3.02Å; S45-R47 VanDerWaalsContact O-N 3.12Å; R47-R49 PolarHBondContact O-N 2.76Å |
| 48 | L | 27.1 | Very low | 27.3 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | | | trans | -76.5 | 97.9 | 166.3 | -77.5 | 168.8 | 0 | 0 | 0 | 110.5 | T46 L50 C67 V69 | T46-L48 PolarHBondContact O-N 2.83Å; L48-L50 PolarHBondContact O-N 3.38Å; L48-C67 VanDerWaalsContact O-O 3.05Å; L48-V69 HydrophobicContact CB-CB 4.07Å; L48-V69 HydrophobicContact CB-CG2 3.88Å; L48-V69 HydrophobicContact CD1-CB 3.9Å; L48-V69 HydrophobicContact CD1-CG1 4.04Å; L48-V69 HydrophobicContact CD1-CG2 3.91Å; L48-V69 HydrophobicContact CG-CB 4.47Å |
| 49 | R | 29.1 | Very low | 27.4 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | | | trans | -78 | 98.1 | 174.2 | -166.3 | 176.9 | -161.8 | -171.2 | -0.4 | 110.4 | R47 S51 D66 | R47-R49 PolarHBondContact O-N 2.76Å; R49-S51 VanDerWaalsContact C-N 3.33Å; R49-S51 PolarHBondContact O-N 3Å; R49-S51 VanDerWaalsContact O-N 3.14Å; R49-D66 IonicContact CZ-OD1 3.67Å; R49-D66 IonicContact NE-OD1 2.65Å; R49-D66 PolarHBondContact NE-OD1 3.14Å; R49-D66 IonicContact NH2-OD1 3.43Å; R49-D66 PolarHBondContact NH2-OD1 3.39Å |
| 50 | L | 28.1 | Very low | 27.4 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 51% | 0.513 | 68% | 0.679 | S | S | . | * | | | trans | -83.9 | 74.1 | 173.4 | -69.1 | 168.6 | 0 | 0 | 0 | 111 | L48 K52 C67 | L48-L50 PolarHBondContact O-N 3.38Å; L50-K52 PolarHBondContact O-N 3.22Å; L50-C67 HydrophobicContact CB-CB 4.01Å; L50-C67 HydrophobicContact CD1-CB 3.96Å; L50-C67 HydrophobicContact CG-CB 4.37Å |
| 51 | S | 27.6 | Very low | 27.5 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | | | trans | -72.9 | 88.5 | 169.3 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | R49 | R49-S51 VanDerWaalsContact C-N 3.33Å; R49-S51 PolarHBondContact O-N 3Å; R49-S51 VanDerWaalsContact O-N 3.14Å |
| 52 | K | 29 | Very low | 27.5 | Very low | 164 Ų | 164 | 121.6 Ų | 121.6 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | | | trans | -104 | 107.3 | 168 | -166.4 | 171.7 | -173.8 | 179 | 0 | 109.3 | L50 I54 | L50-K52 PolarHBondContact O-N 3.22Å; K52-I54 PolarHBondContact O-N 2.86Å |
| 53 | A | 26.5 | Very low | 27.5 | Very low | 66 Ų | 66 | 117.6 Ų | 117.6 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | | | trans | -64.4 | 117.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | M55 | A53-M55 PolarHBondContact O-N 2.88Š|
| 54 | I | 28 | Very low | 27.6 | Very low | 83 Ų | 83 | 118.5 Ų | 118.5 | 43% | 0.426 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 104.9 | 162.9 | -58.2 | -176.2 | 0 | 0 | 0 | 105.6 | K52 C56 F65 | K52-I54 PolarHBondContact O-N 2.86Å; I54-C56 PolarHBondContact O-N 3.31Å; I54-F65 HydrophobicContact CD1-CE2 3.65Å; I54-F65 HydrophobicContact CD1-CZ 4.29Å; I54-F65 HydrophobicContact CG1-CE2 4.22Å |
| 55 | M | 25.5 | Very low | 27.9 | Very low | 176 Ų | 176 | 116.2 Ų | 116.2 | 87% | 0.867 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.7 | 116.7 | 165.3 | -59 | -156.5 | -51.7 | 0 | 0 | 107.4 | A53 | A53-M55 PolarHBondContact O-N 2.88Å |
| 56 | C | 26.5 | Very low | 27.9 | Very low | 53 Ų | 53 | 117.1 Ų | 117.1 | 36% | 0.358 | 61% | 0.613 | S | S | . | * | | | trans | -84.7 | 151.6 | 164.7 | -63 | 0 | 0 | 0 | 0 | 109 | I54 K58 C61 | I54-C56 PolarHBondContact O-N 3.31Å; C56-K58 PolarHBondContact O-N 3.34Å; C56-C61 HydrophobicContact CB-CB 4.17Å |
| 57 | D | 29.9 | Very low | 28.1 | Very low | 178 Ų | 178 | 114.6 Ų | 114.6 | 95% | 0.952 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -66.9 | 13.8 | 169.8 | -60.1 | -48.1 | 0 | 0 | 0 | 113.7 | | |
| 58 | K | 27 | Very low | 28.1 | Very low | 150 Ų | 150 | 111 Ų | 111 | 65% | 0.652 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -113.9 | 125.1 | 167.7 | -68.2 | -175.4 | 178 | -178.9 | 0 | 107.9 | C56 S60 | C56-K58 PolarHBondContact O-N 3.34Å; K58-S60 PolarHBondContact O-N 3.36Å |
| 59 | P | 27.5 | Very low | 28.2 | Very low | 145 Ų | 145 | 107.5 Ų | 107.5 | 94% | 0.942 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 23.6 | -169.5 | 30 | -37.7 | 0 | 0 | 0 | 115.4 | | |
| 60 | S | 26.3 | Very low | 28.2 | Very low | 101 Ų | 101 | 106 Ų | 106 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | 2.5 | -167 | 50.5 | 0 | 0 | 0 | 0 | 115.4 | K58 | K58-S60 PolarHBondContact O-N 3.36Š|
| 61 | C | 25.7 | Very low | 28.2 | Very low | 48 Ų | 48 | 109.3 Ų | 109.3 | 32% | 0.324 | 57% | 0.572 | S | S | . | * | | | trans | -116.1 | 108.2 | 179.5 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | C56 Y63 | C56-C61 HydrophobicContact CB-CB 4.17Å; C61-Y63 HydrophobicContact CB-CE2 3.97Å |
| 62 | V | 27.1 | Very low | 28.2 | Very low | 112 Ų | 112 | 110.3 Ų | 110.3 | 68% | 0.679 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 105.5 | 169.8 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 63 | Y | 28.8 | Very low | 28.1 | Very low | 89 Ų | 89 | 104.1 Ų | 104.1 | 35% | 0.349 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.3 | 174.4 | -67.7 | -82.2 | 0 | 0 | 0 | 111.1 | C61 F65 | C61-Y63 HydrophobicContact CB-CE2 3.97Å; Y63-F65 HydrophobicContact CG-CE2 4.42Å; Y63-F65 HydrophobicContact CG-CZ 4.47Å |
| 64 | N | 29.1 | Very low | 28 | Very low | 129 Ų | 129 | 106.4 Ų | 106.4 | 69% | 0.69 | 57% | 0.569 | S | S | * | * | | | trans | -101 | 119.1 | 171.7 | -78.3 | -49.9 | 0 | 0 | 0 | 110.3 | | |
| 65 | F | 31 | Very low | 28 | Very low | 105 Ų | 105 | 108 Ų | 108 | 46% | 0.461 | 58% | 0.582 | S | S | . | * | | | trans | -110.4 | 117.3 | 173.6 | -60.6 | -84.9 | 0 | 0 | 0 | 110.1 | I54 Y63 C67 | I54-F65 HydrophobicContact CD1-CE2 3.65Å; I54-F65 HydrophobicContact CD1-CZ 4.29Å; I54-F65 HydrophobicContact CG1-CE2 4.22Å; Y63-F65 HydrophobicContact CG-CE2 4.42Å; Y63-F65 HydrophobicContact CG-CZ 4.47Å; F65-C67 PolarHBondContact O-N 3.03Å |
| 66 | D | 30.7 | Very low | 27.9 | Very low | 90 Ų | 90 | 102.7 Ų | 102.7 | 48% | 0.481 | 57% | 0.573 | S | S | . | * | | | trans | -88 | 96.2 | 165.1 | -72.4 | -46.9 | 0 | 0 | 0 | 108.9 | R49 F68 | R49-D66 IonicContact CZ-OD1 3.67Å; R49-D66 IonicContact NE-OD1 2.65Å; R49-D66 PolarHBondContact NE-OD1 3.14Å; R49-D66 IonicContact NH2-OD1 3.43Å; R49-D66 PolarHBondContact NH2-OD1 3.39Å; D66-F68 HydrophobicContact CB-CE2 3.99Å; D66-F68 HydrophobicContact CB-CZ 4.28Å; D66-F68 WeakPolarHBondContact O-CD2 3.45Å; D66-F68 WeakPolarHBondContact O-CE2 3.18Å |
| 67 | C | 30.4 | Very low | 27.9 | Very low | 50 Ų | 50 | 111.3 Ų | 111.3 | 34% | 0.338 | 60% | 0.598 | S | S | . | * | | | trans | -75.7 | 141.7 | 167.6 | -65 | 0 | 0 | 0 | 0 | 110.3 | L48 L50 F65 | L48-C67 VanDerWaalsContact O-O 3.05Å; L50-C67 HydrophobicContact CB-CB 4.01Å; L50-C67 HydrophobicContact CD1-CB 3.96Å; L50-C67 HydrophobicContact CG-CB 4.37Å; F65-C67 PolarHBondContact O-N 3.03Å |
| 68 | F | 29.6 | Very low | 27.7 | Very low | 125 Ų | 125 | 107.7 Ų | 107.7 | 55% | 0.548 | 59% | 0.586 | S | S | . | * | | | trans | -118.9 | 99.5 | 174.7 | -66.4 | -89.4 | 0 | 0 | 0 | 109.6 | D66 R70 | D66-F68 HydrophobicContact CB-CE2 3.99Å; D66-F68 HydrophobicContact CB-CZ 4.28Å; D66-F68 WeakPolarHBondContact O-CD2 3.45Å; D66-F68 WeakPolarHBondContact O-CE2 3.18Å; F68-R70 PolarHBondContact O-N 3.12Å |
| 69 | V | 29.6 | Very low | 27.8 | Very low | 23 Ų | 23 | 109.6 Ų | 109.6 | 14% | 0.139 | 59% | 0.594 | C | S | . | * | | | trans | -80.1 | 105.4 | 171.1 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | T46 L48 I158 | T46-V69 VanDerWaalsContact O-O 3.12Å; L48-V69 HydrophobicContact CB-CB 4.07Å; L48-V69 HydrophobicContact CB-CG2 3.88Å; L48-V69 HydrophobicContact CD1-CB 3.9Å; L48-V69 HydrophobicContact CD1-CG1 4.04Å; L48-V69 HydrophobicContact CD1-CG2 3.91Å; L48-V69 HydrophobicContact CG-CB 4.47Å; V69-I158 HydrophobicContact CG1-CD1 4.46Å; V69-I158 HydrophobicContact CG1-CG1 4.32Å; V69-I158 HydrophobicContact CG1-CG2 4.22Å; V69-I158 HydrophobicContact CG2-CD1 4.26Å; V69-I158 HydrophobicContact CG2-CG2 4.08Å |
| 70 | R | 29 | Very low | 27.9 | Very low | 151 Ų | 151 | 112.7 Ų | 112.7 | 57% | 0.57 | 59% | 0.588 | S | S | * | * | | | trans | -91.4 | 106.6 | 169.1 | -173.4 | 178.4 | 177.2 | 139.4 | -2 | 108.8 | F68 T72 | F68-R70 PolarHBondContact O-N 3.12Å; R70-T72 HydrophobicContact CG-CG2 3.95Å; R70-T72 PolarHBondContact O-N 3.02Å |
| 71 | W | 27.7 | Very low | 27.9 | Very low | 167 Ų | 167 | 114.8 Ų | 114.8 | 63% | 0.633 | 59% | 0.591 | S | S | * | * | | | trans | -67.7 | 118.8 | 168.9 | -162.8 | 66 | 0 | 0 | 0 | 109.3 | G73 V75 | W71-G73 WeakPolarHBondContact CZ3-O 3.47Å; W71-V75 HydrophobicContact CH2-CG2 3.77Å; W71-V75 HydrophobicContact CZ3-CG2 4.34Å |
| 72 | T | 27.1 | Very low | 28.3 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | | | trans | -118.9 | 47.3 | 173.6 | 59.5 | 0 | 0 | 0 | 0 | 110.1 | R70 | R70-T72 HydrophobicContact CG-CG2 3.95Å; R70-T72 PolarHBondContact O-N 3.02Å |
| 73 | G | 27.2 | Very low | 28.6 | Very low | 34 Ų | 34 | 120.2 Ų | 120.2 | 35% | 0.351 | 61% | 0.612 | S | S | . | * | | | trans | -94.4 | 131 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | W71 | W71-G73 WeakPolarHBondContact CZ3-O 3.47Š|
| 74 | S | 25 | Very low | 29 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | | | trans | -79.5 | 133.5 | 154.4 | 49.3 | 0 | 0 | 0 | 0 | 107.6 | G76 | S74-G76 PolarHBondContact O-N 3.18Š|
| 75 | V | 26.5 | Very low | 29.2 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 70% | 0.697 | 64% | 0.643 | S | S | * | * | | | trans | -72.1 | 87.4 | 161.7 | -177.5 | 0 | 0 | 0 | 0 | 106.2 | W71 R77 | W71-V75 HydrophobicContact CH2-CG2 3.77Å; W71-V75 HydrophobicContact CZ3-CG2 4.34Å; V75-R77 VanDerWaalsContact C-N 3.33Å; V75-R77 PolarHBondContact O-N 3.11Å |
| 76 | G | 24.8 | Very low | 29.1 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 67% | 0.67 | 66% | 0.661 | S | S | * | * | | | trans | -59.9 | 97.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | S74 S78 | S74-G76 PolarHBondContact O-N 3.18Å; G76-S78 PolarHBondContact O-N 3.11Å |
| 77 | R | 25.3 | Very low | 29 | Very low | 235 Ų | 235 | 132.6 Ų | 132.6 | 89% | 0.887 | 68% | 0.677 | S | S | * | * | | | trans | -56.9 | 113.4 | 173.4 | -74.4 | -175.9 | 176.4 | -179.1 | -0.6 | 107.2 | V75 K79 | V75-R77 VanDerWaalsContact C-N 3.33Å; V75-R77 PolarHBondContact O-N 3.11Å; R77-K79 PolarHBondContact O-N 3.21Å |
| 78 | S | 27.2 | Very low | 28.8 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | | | trans | -57.3 | 108.4 | 173.5 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | G76 R80 | G76-S78 PolarHBondContact O-N 3.11Å; S78-R80 PolarHBondContact O-N 3.49Å |
| 79 | K | 27.6 | Very low | 28.8 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | | | trans | -77.5 | 74.7 | -178.4 | -162.1 | -179.8 | -173.6 | -175.2 | 0 | 107.4 | R77 N81 | R77-K79 PolarHBondContact O-N 3.21Å; K79-N81 PolarHBondContact O-N 3.32Å |
| 80 | R | 30.1 | Very low | 28.7 | Very low | 211 Ų | 211 | 143.1 Ų | 143.1 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | | | trans | -62.8 | 107.9 | 174 | -83 | -169 | -87 | -177.6 | -5.2 | 108.1 | S78 L82 | S78-R80 PolarHBondContact O-N 3.49Å; R80-L82 PolarHBondContact O-N 3.14Å |
| 81 | N | 26 | Very low | 28.7 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | | | trans | -57 | 120.2 | 164.2 | -67.6 | -34.5 | 0 | 0 | 0 | 107.6 | K79 | K79-N81 PolarHBondContact O-N 3.32Š|
| 82 | L | 35.5 | Very low | 28.7 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | | | trans | -135.1 | 87.1 | 166.2 | -88.2 | 165.2 | 0 | 0 | 0 | 106.8 | R80 | R80-L82 PolarHBondContact O-N 3.14Š|
| 83 | D | 31.9 | Very low | 28.7 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | trans | 39.1 | 136.7 | 145.6 | -52.7 | -36 | 0 | 0 | 0 | 121.9 | | |
| 84 | K | 37.2 | Very low | 28.8 | Very low | 205 Ų | 205 | 146.9 Ų | 146.9 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -61 | 139.6 | 161.8 | -57 | 166.4 | -177 | 175 | 0 | 107.2 | | |
| 85 | E | 34.8 | Very low | 28.8 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 82.1 | 57.3 | -169.9 | -52.2 | -164.5 | 153 | 0 | 0 | 117.3 | R87 | E85-R87 PolarHBondContact O-N 3.22Š|
| 86 | G | 28 | Very low | 28.8 | Very low | 81 Ų | 81 | 156.9 Ų | 156.9 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | | 38 | 59.4 | 120.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 87 | R | 29.6 | Very low | 28.9 | Very low | 216 Ų | 216 | 160.5 Ų | 160.5 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | | | trans | -133 | 114.5 | 157.8 | -72.2 | -172.3 | -124.3 | -164.5 | 0.3 | 110.8 | E85 I89 | E85-R87 PolarHBondContact O-N 3.22Å; R87-I89 PolarHBondContact O-N 2.99Å |
| 88 | D | 25.8 | Very low | 29.2 | Very low | 161 Ų | 161 | 157.2 Ų | 157.2 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | trans | -63.6 | 116.2 | 174.5 | -73.9 | -55.4 | 0 | 0 | 0 | 111.3 | V90 | D88-V90 PolarHBondContact O-N 3.31Š|
| 89 | I | 30 | Very low | 29.2 | Very low | 159 Ų | 159 | 158.8 Ų | 158.8 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | trans | -91.3 | 92.6 | 167.1 | -55 | -177.9 | 0 | 0 | 0 | 108.1 | R87 | R87-I89 PolarHBondContact O-N 2.99Š|
| 90 | V | 26.5 | Very low | 29.3 | Very low | 100 Ų | 100 | 154.4 Ų | 154.4 | 61% | 0.606 | 77% | 0.77 | S | S | * | * | | | trans | -47.1 | 128.7 | -174.2 | 176.6 | 0 | 0 | 0 | 0 | 114.1 | D88 P92 | D88-V90 PolarHBondContact O-N 3.31Å; V90-P92 HydrophobicContact CG1-CB 4.44Å; V90-P92 WeakPolarHBondContact O-CD 3.43Å |
| 91 | P | 29.2 | Very low | 29.3 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | | | trans | -78.4 | 115 | 151.9 | 29.9 | -26.5 | 0 | 0 | 0 | 108.9 | F93 | P91-F93 PolarHBondContact O-N 3.26Š|
| 92 | P | 28 | Very low | 29.7 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | trans | -81.3 | 107.2 | -167.4 | 30.6 | -34.2 | 0 | 0 | 0 | 113 | V90 | V90-P92 HydrophobicContact CG1-CB 4.44Å; V90-P92 WeakPolarHBondContact O-CD 3.43Å |
| 93 | F | 26.8 | Very low | 29.6 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | | | trans | 67.5 | 159.2 | 164.3 | -41.1 | -75.5 | 0 | 0 | 0 | 115.1 | P91 | P91-F93 PolarHBondContact O-N 3.26Š|
| 94 | I | 29.1 | Very low | 29.6 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | cis | -140.1 | 113.6 | 17.6 | -61.7 | 167.1 | 0 | 0 | 0 | 106.6 | | |
| 95 | R | 25.5 | Very low | 29.3 | Very low | 210 Ų | 210 | 152.6 Ų | 152.6 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | | 59.4 | 134.7 | 89.5 | -84.5 | -169.3 | 176 | -171.9 | 0.5 | 118.1 | | |
| 96 | R | 27 | Very low | 29.2 | Very low | 230 Ų | 230 | 149.7 Ų | 149.7 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | | | trans | 76.2 | 120.4 | 168.4 | -69.4 | 178.2 | 172.5 | 158.9 | -3.3 | 115.9 | | |
| 97 | N | 25.8 | Very low | 29.5 | Very low | 140 Ų | 140 | 151.6 Ų | 151.6 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | | 68.9 | 132 | 78 | -101.7 | 8.6 | 0 | 0 | 0 | 112.1 | | |
| 98 | Q | 31.4 | Very low | 29.3 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | cis | -134.2 | 146.5 | 35.6 | -56.9 | 174.2 | 9.7 | 0 | 0 | 113.7 | | |
| 99 | N | 27 | Very low | 29.5 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | 50.3 | 138.4 | 142.4 | -55.4 | -7.7 | 0 | 0 | 0 | 119.2 | | |
| 100 | S | 30.9 | Very low | 29.5 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | cis | -167 | 119 | 7 | 41 | 0 | 0 | 0 | 0 | 106.2 | | |
| 101 | S | 29.9 | Very low | 29.4 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | | | | 72.8 | 153.7 | 101.1 | 79.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 102 | L | 34 | Very low | 29.3 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 75.2 | 134.2 | 168.3 | -53.1 | 167.6 | 0 | 0 | 0 | 115.6 | | |
| 103 | M | 33.1 | Very low | 29.1 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | cis | -131.5 | 152.6 | -4 | -71.1 | -160.7 | 119.3 | 0 | 0 | 112.8 | | |
| 104 | R | 32.5 | Very low | 29.1 | Very low | 211 Ų | 211 | 150.2 Ų | 150.2 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | trans | -91.2 | 175.3 | 165.5 | -71.6 | 171.6 | 168.6 | 179 | -4.8 | 110.1 | | |
| 105 | H | 31 | Very low | 29 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | 75.9 | 139.6 | 165.7 | -40.5 | -74.4 | 0 | 0 | 0 | 114 | | |
| 106 | S | 31.5 | Very low | 29.1 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | cis | -131.1 | -175.8 | -5.2 | -66.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 107 | S | 34.8 | Very low | 29.3 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | cis | -142.8 | 179.4 | 14.9 | -69.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 108 | G | 26.7 | Very low | 29.6 | Very low | 63 Ų | 63 | 140.1 Ų | 140.1 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | cis | 116.2 | 95 | 8.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 109 | S | 28.6 | Very low | 29.6 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | 50.4 | 109.7 | 164.6 | 65 | 0 | 0 | 0 | 0 | 121.5 | | |
| 110 | V | 30.5 | Very low | 29.8 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | | | | -141.8 | 126 | 129.3 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 111 | Q | 24.9 | Very low | 29.8 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | -90.3 | 137.9 | 167.2 | -69.4 | 175.8 | -20.5 | 0 | 0 | 109.9 | | |
| 112 | R | 26.1 | Very low | 30 | Very low | 222 Ų | 222 | 141.9 Ų | 141.9 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | | | | 169.6 | 120.7 | 115.5 | -93.1 | 173.9 | -175.2 | -176.3 | 2 | 113.3 | | |
| 113 | L | 24.9 | Very low | 30.2 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | | | trans | 66 | 152.6 | 141.2 | -64.4 | 172.1 | 0 | 0 | 0 | 120.3 | | |
| 114 | P | 27 | Very low | 30.2 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | | | trans | -102 | -176.6 | -163.7 | 40.7 | -34.4 | 0 | 0 | 0 | 113.4 | | |
| 115 | I | 27.2 | Very low | 30.1 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | 103.8 | 134.2 | 168.8 | -58.9 | 159.5 | 0 | 0 | 0 | 114 | | |
| 116 | D | 27.2 | Very low | 30.1 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | | | trans | 56.7 | 111.1 | 167.9 | -62.2 | -21.7 | 0 | 0 | 0 | 121.6 | | |
| 117 | E | 29.9 | Very low | 29.9 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 66% | 0.659 | 72% | 0.724 | S | S | * | * | | | | -147.7 | 71.6 | 127.3 | -144.9 | 177.8 | -152.3 | 0 | 0 | 113.8 | I119 R120 | E117-I119 PolarHBondContact O-N 3.19Å; E117-R120 IonicContact OE1-CZ 3.13Å; E117-R120 IonicContact OE1-NE 2.72Å; E117-R120 PolarHBondContact OE1-NE 3.35Å; E117-R120 IonicContact OE1-NH2 2.69Å; E117-R120 PolarHBondContact OE1-NH2 3.47Å |
| 118 | P | 33 | Very low | 29.6 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 66% | 0.656 | 72% | 0.715 | S | S | * | * | | | trans | -77.9 | 107.5 | 161.3 | 31.7 | -29.7 | 0 | 0 | 0 | 110.2 | | |
| 119 | I | 31.6 | Very low | 29.9 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | | | trans | 46.3 | 95.6 | 152.7 | -51.6 | 177.2 | 0 | 0 | 0 | 115.4 | E117 Q121 | E117-I119 PolarHBondContact O-N 3.19Å; I119-Q121 VanDerWaalsContact C-N 3.28Å; I119-Q121 HydrophobicContact CG2-CB 4.35Å; I119-Q121 HydrophobicContact CG2-CG 4.08Å; I119-Q121 PolarHBondContact O-N 3.2Å |
| 120 | R | 29.8 | Very low | 30 | Very low | 213 Ų | 213 | 136.3 Ų | 136.3 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | | | trans | -63.5 | 75.5 | 170.7 | -60.6 | -175.7 | -174.6 | -165.9 | 1 | 113.3 | E117 | E117-R120 IonicContact OE1-CZ 3.13Å; E117-R120 IonicContact OE1-NE 2.72Å; E117-R120 PolarHBondContact OE1-NE 3.35Å; E117-R120 IonicContact OE1-NH2 2.69Å; E117-R120 PolarHBondContact OE1-NH2 3.47Å |
| 121 | Q | 31.1 | Very low | 30 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 40% | 0.397 | 69% | 0.688 | S | S | . | * | | | trans | -131.9 | 101.9 | 168.7 | -73 | -161.1 | 18.5 | 0 | 0 | 110.5 | I119 W123 L124 | I119-Q121 VanDerWaalsContact C-N 3.28Å; I119-Q121 HydrophobicContact CG2-CB 4.35Å; I119-Q121 HydrophobicContact CG2-CG 4.08Å; I119-Q121 PolarHBondContact O-N 3.2Å; Q121-W123 HydrophobicContact CB-CZ2 4.4Å; Q121-W123 HydrophobicContact CG-CZ2 4.17Å; Q121-W123 PolarHBondContact O-N 3.44Å; Q121-L124 HydrophobicContact CB-CB 4.45Å; Q121-L124 HydrophobicContact CB-CD1 4.1Å; Q121-L124 HydrophobicContact CB-CG 4.41Å; Q121-L124 PolarHBondContact O-N 3.05Å; Q121-L124 VanDerWaalsContact O-N 3.11Å |
| 122 | P | 34.6 | Very low | 30.3 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -4.4 | -170.3 | 28 | -35.1 | 0 | 0 | 0 | 114.9 | | |
| 123 | W | 38.9 | Very low | 30.6 | Very low | 192 Ų | 192 | 117.7 Ų | 117.7 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 2.9 | 176.7 | 48.1 | 72 | 0 | 0 | 0 | 113.8 | Q121 | Q121-W123 HydrophobicContact CB-CZ2 4.4Å; Q121-W123 HydrophobicContact CG-CZ2 4.17Å; Q121-W123 PolarHBondContact O-N 3.44Å |
| 124 | L | 32.7 | Very low | 30.9 | Very low | 120 Ų | 120 | 117 Ų | 117 | 63% | 0.628 | 66% | 0.658 | S | S | * | * | | | trans | -106.7 | 15.1 | 174.7 | -74.9 | 175.5 | 0 | 0 | 0 | 113.1 | Q121 P126 | Q121-L124 HydrophobicContact CB-CB 4.45Å; Q121-L124 HydrophobicContact CB-CD1 4.1Å; Q121-L124 HydrophobicContact CB-CG 4.41Å; Q121-L124 PolarHBondContact O-N 3.05Å; Q121-L124 VanDerWaalsContact O-N 3.11Å; L124-P126 WeakPolarHBondContact O-CD 3.27Å |
| 125 | L | 29.9 | Very low | 31.1 | Very low | 131 Ų | 131 | 117 Ų | 117 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | | | trans | -73.8 | 122.5 | 173.1 | -72.5 | 167.2 | 0 | 0 | 0 | 109.7 | C127 | L125-C127 PolarHBondContact O-N 3.48Å; L125-C127 VanDerWaalsContact O-N 3.11Å |
| 126 | P | 30.5 | Very low | 31.4 | Very low | 99 Ų | 99 | 113.4 Ų | 113.4 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | | | trans | -67.8 | 111.2 | 174 | 26.9 | -32.3 | 0 | 0 | 0 | 109.5 | L124 S128 A131 | L124-P126 WeakPolarHBondContact O-CD 3.27Å; P126-S128 PolarHBondContact O-N 3.2Å; P126-A131 HydrophobicContact CB-CB 4.31Å |
| 127 | C | 28.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 114.9 Ų | 114.9 | 79% | 0.791 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -63.2 | 129.2 | 171.4 | -66.2 | 0 | 0 | 0 | 0 | 109.8 | L125 | L125-C127 PolarHBondContact O-N 3.48Å; L125-C127 VanDerWaalsContact O-N 3.11Å |
| 128 | S | 28.6 | Very low | 31.5 | Very low | 93 Ų | 93 | 112.5 Ų | 112.5 | 65% | 0.65 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 75.8 | 134.3 | -178.2 | 82.7 | 0 | 0 | 0 | 0 | 117.1 | P126 G130 A131 | P126-S128 PolarHBondContact O-N 3.2Å; S128-G130 PolarHBondContact O-N 3.17Å; S128-A131 PolarHBondContact O-N 2.8Å |
| 129 | L | 32.7 | Very low | 31.4 | Very low | 193 Ų | 193 | 112.2 Ų | 112.2 | 100% | 1.01 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -0.4 | 178.4 | -76.1 | 140 | 0 | 0 | 0 | 114.6 | | |
| 130 | G | 29.5 | Very low | 31.3 | Very low | 52 Ų | 52 | 110.9 Ų | 110.9 | 54% | 0.536 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.6 | -19 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S128 G132 | S128-G130 PolarHBondContact O-N 3.17Å; G130-G132 VanDerWaalsContact C-N 3.31Å; G130-G132 PolarHBondContact O-N 3.07Å |
| 131 | A | 31.8 | Very low | 31.2 | Very low | 35 Ų | 35 | 105.2 Ų | 105.2 | 29% | 0.289 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -73 | -20.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | P126 S128 A133 L134 | P126-A131 HydrophobicContact CB-CB 4.31Å; S128-A131 PolarHBondContact O-N 2.8Å; A131-A133 VanDerWaalsContact C-N 3.3Å; A131-A133 PolarHBondContact O-N 3.33Å; A131-L134 PolarHBondContact O-N 3.42Å |
| 132 | G | 31.8 | Very low | 30.9 | Very low | 54 Ų | 54 | 105.7 Ų | 105.7 | 56% | 0.557 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -71.7 | -15.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | G130 T135 | G130-G132 VanDerWaalsContact C-N 3.31Å; G130-G132 PolarHBondContact O-N 3.07Å; G132-T135 PolarHBondContact O-OG1 3.27Å |
| 133 | A | 32.1 | Very low | 30.6 | Very low | 66 Ų | 66 | 107.9 Ų | 107.9 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -93.4 | -19.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | A131 S136 | A131-A133 VanDerWaalsContact C-N 3.3Å; A131-A133 PolarHBondContact O-N 3.33Å; A133-S136 PolarHBondContact O-OG 3.24Å |
| 134 | L | 30.9 | Very low | 30.1 | Very low | 146 Ų | 146 | 103.9 Ų | 103.9 | 76% | 0.764 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -13.2 | 178.1 | -69.4 | 170.9 | 0 | 0 | 0 | 112.9 | A131 | A131-L134 PolarHBondContact O-N 3.42Š|
| 135 | T | 31.6 | Very low | 29.8 | Very low | 106 Ų | 106 | 100.9 Ų | 100.9 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -88.2 | -5.6 | 172.4 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | G132 | G132-T135 PolarHBondContact O-OG1 3.27Š|
| 136 | S | 32.5 | Very low | 29.6 | Very low | 72 Ų | 72 | 98 Ų | 98 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -103.2 | -5.4 | -176.6 | 61 | 0 | 0 | 0 | 0 | 115.1 | A133 S139 | A133-S136 PolarHBondContact O-OG 3.24Å; S136-S139 PolarHBondContact O-OG 3.34Å |
| 137 | Q | 29.4 | Very low | 29.4 | Very low | 164 Ų | 164 | 103.2 Ų | 103.2 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -115.7 | -8.4 | 177.8 | -66.3 | -168.1 | -1.2 | 0 | 0 | 115 | S139 | Q137-S139 PolarHBondContact O-N 3.18Š|
| 138 | S | 29.2 | Very low | 29.3 | Very low | 92 Ų | 92 | 103.3 Ų | 103.3 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 7.5 | 170.6 | 41.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 139 | S | 31.9 | Very low | 29.2 | Very low | 95 Ų | 95 | 104 Ų | 104 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -2.4 | -172.5 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | S136 Q137 | S136-S139 PolarHBondContact O-OG 3.34Å; Q137-S139 PolarHBondContact O-N 3.18Å |
| 140 | S | 29.1 | Very low | 28.8 | Very low | 104 Ų | 104 | 99.2 Ų | 99.2 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -144.2 | 24.1 | -168 | 63 | 0 | 0 | 0 | 0 | 117 | | |
| 141 | S | 27.1 | Very low | 28.6 | Very low | 94 Ų | 94 | 101.1 Ų | 101.1 | 66% | 0.657 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -152.3 | 150.5 | 166.9 | 72.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 142 | S | 25.8 | Very low | 28.2 | Very low | 95 Ų | 95 | 103 Ų | 103 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | | | trans | 51 | 101.4 | 168 | 68.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 143 | H | 28.7 | Very low | 28 | Very low | 145 Ų | 145 | 106.2 Ų | 106.2 | 67% | 0.671 | 66% | 0.657 | S | S | * | * | | | | -170.2 | 119.5 | 109.8 | -100 | 37.2 | 0 | 0 | 0 | 109.9 | A145 A146 | H143-A145 PolarHBondContact O-N 3.4Å; H143-A145 VanDerWaalsContact O-N 3.13Å; H143-A146 PolarHBondContact O-N 3.43Å |
| 144 | P | 27.3 | Very low | 27.8 | Very low | 108 Ų | 108 | 108.1 Ų | 108.1 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.4 | -18.6 | 179.2 | 24.8 | -32.8 | 0 | 0 | 0 | 113.3 | A146 R147 L148 | P144-A146 VanDerWaalsContact C-N 3.3Å; P144-A146 PolarHBondContact O-N 3Å; P144-R147 PolarHBondContact O-N 3.14Å; P144-L148 PolarHBondContact O-N 3.4Å |
| 145 | A | 26 | Very low | 27.6 | Very low | 58 Ų | 58 | 103 Ų | 103 | 48% | 0.479 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59.2 | -33.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H143 | H143-A145 PolarHBondContact O-N 3.4Å; H143-A145 VanDerWaalsContact O-N 3.13Å |
| 146 | A | 26.9 | Very low | 27.5 | Very low | 69 Ų | 69 | 103.2 Ų | 103.2 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.3 | -27.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H143 P144 | H143-A146 PolarHBondContact O-N 3.43Å; P144-A146 VanDerWaalsContact C-N 3.3Å; P144-A146 PolarHBondContact O-N 3Å |
| 147 | R | 25.5 | Very low | 27.4 | Very low | 210 Ų | 210 | 105.3 Ų | 105.3 | 79% | 0.792 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -80.5 | -26.4 | 176.6 | -72 | -173.5 | 174.9 | -175.9 | -1.4 | 112.9 | P144 I149 A150 A151 | P144-R147 PolarHBondContact O-N 3.14Å; R147-I149 PolarHBondContact O-N 3Å; R147-A150 PolarHBondContact O-N 3.05Å; R147-A150 VanDerWaalsContact O-N 3.07Å; R147-A151 PolarHBondContact O-N 3.1Å |
| 148 | L | 26.1 | Very low | 27.4 | Very low | 119 Ų | 119 | 99.5 Ų | 99.5 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.2 | -27.5 | 171.4 | -110.4 | 149.8 | 0 | 0 | 0 | 113 | P144 T152 | P144-L148 PolarHBondContact O-N 3.4Å; L148-T152 WeakPolarHBondContact O-CG2 3.49Å; L148-T152 PolarHBondContact O-N 3.04Å; L148-T152 PolarHBondContact O-OG1 3.3Å |
| 149 | I | 27.4 | Very low | 27.4 | Very low | 108 Ų | 108 | 97.8 Ų | 97.8 | 55% | 0.554 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -81.7 | -22.5 | 177.3 | -66.6 | 174.4 | 0 | 0 | 0 | 111.7 | R147 L154 | R147-I149 PolarHBondContact O-N 3Å; I149-L154 HydrophobicContact CB-CD1 4.35Å; I149-L154 HydrophobicContact CG2-CD1 3.49Å; I149-L154 VanDerWaalsContact CG2-CD1 3.49Å; I149-L154 VanDerWaalsContact O-CD1 3.27Å; I149-L154 WeakPolarHBondContact O-CD1 3.49Å |
| 150 | A | 24.6 | Very low | 27.2 | Very low | 91 Ų | 91 | 94.6 Ų | 94.6 | 75% | 0.752 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -91 | -21.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R147 | R147-A150 PolarHBondContact O-N 3.05Å; R147-A150 VanDerWaalsContact O-N 3.07Å |
| 151 | A | 24.8 | Very low | 27.2 | Very low | 93 Ų | 93 | 100.5 Ų | 100.5 | 77% | 0.769 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -98.7 | -11.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R147 | R147-A151 PolarHBondContact O-N 3.1Å |
| 152 | T | 24.4 | Very low | 27.4 | Very low | 74 Ų | 74 | 107.2 Ų | 107.2 | 45% | 0.454 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -94 | 133.5 | 170.1 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | L148 L154 | L148-T152 WeakPolarHBondContact O-CG2 3.49Å; L148-T152 PolarHBondContact O-N 3.04Å; L148-T152 PolarHBondContact O-OG1 3.3Å; T152-L154 VanDerWaalsContact C-N 3.26Å; T152-L154 PolarHBondContact O-N 3.31Å |
| 153 | S | 26.9 | Very low | 27.4 | Very low | 121 Ų | 121 | 105.9 Ų | 105.9 | 85% | 0.846 | 60% | 0.597 | S | S | * | * | | | trans | -68.2 | 79.6 | 178.9 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | P155 | S153-P155 VanDerWaalsContact O-CD 3.27Å; S153-P155 WeakPolarHBondContact O-CD 3.47Å |
| 154 | L | 27.1 | Very low | 27.3 | Very low | 106 Ų | 106 | 110.6 Ų | 110.6 | 56% | 0.555 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 116.9 | -177.8 | -82.5 | 164.5 | 0 | 0 | 0 | 110.7 | I149 T152 | I149-L154 HydrophobicContact CB-CD1 4.35Å; I149-L154 HydrophobicContact CG2-CD1 3.49Å; I149-L154 VanDerWaalsContact CG2-CD1 3.49Å; I149-L154 VanDerWaalsContact O-CD1 3.27Å; I149-L154 WeakPolarHBondContact O-CD1 3.49Å; T152-L154 VanDerWaalsContact C-N 3.26Å; T152-L154 PolarHBondContact O-N 3.31Å |
| 155 | P | 27.5 | Very low | 27.4 | Very low | 39 Ų | 39 | 116.1 Ų | 116.1 | 25% | 0.253 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 152.3 | 174.7 | 28.4 | -33.1 | 0 | 0 | 0 | 110.1 | S153 L157 K185 | S153-P155 VanDerWaalsContact O-CD 3.27Å; S153-P155 WeakPolarHBondContact O-CD 3.47Å; P155-L157 PolarHBondContact O-N 3.32Å; P155-L157 VanDerWaalsContact O-N 3.17Å; P155-K185 WeakPolarHBondContact CB-O 3.2Å; P155-K185 WeakPolarHBondContact CG-O 3.03Å |
| 156 | P | 30.1 | Very low | 27.3 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 72% | 0.721 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -61 | 120 | -171.3 | 23.3 | -34.2 | 0 | 0 | 0 | 112.3 | I158 | P156-I158 PolarHBondContact O-N 2.64Š|
| 157 | L | 29 | Very low | 27.2 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 60% | 0.602 | 65% | 0.647 | S | S | * | * | | | trans | -63.4 | 114.2 | 174.4 | -72.1 | 167.4 | 0 | 0 | 0 | 110.5 | P155 V159 L184 | P155-L157 PolarHBondContact O-N 3.32Å; P155-L157 VanDerWaalsContact O-N 3.17Å; L157-V159 PolarHBondContact O-N 2.74Å; L157-L184 HydrophobicContact CD2-CD1 4.44Å; L157-L184 HydrophobicContact CD2-CG 4.28Å |
| 158 | I | 30.3 | Very low | 26.9 | Very low | 42 Ų | 42 | 126.9 Ų | 126.9 | 22% | 0.215 | 65% | 0.65 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 106.7 | 172.9 | -63.6 | 174.3 | 0 | 0 | 0 | 108.6 | V69 P156 V183 | V69-I158 HydrophobicContact CG1-CD1 4.46Å; V69-I158 HydrophobicContact CG1-CG1 4.32Å; V69-I158 HydrophobicContact CG1-CG2 4.22Å; V69-I158 HydrophobicContact CG2-CD1 4.26Å; V69-I158 HydrophobicContact CG2-CG2 4.08Å; P156-I158 PolarHBondContact O-N 2.64Å; I158-V183 HydrophobicContact CB-CB 4.26Å; I158-V183 PolarHBondContact O-N 2.65Å |
| 159 | V | 28.8 | Very low | 26.8 | Very low | 56 Ų | 56 | 129.9 Ų | 129.9 | 34% | 0.339 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 104.2 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | L157 R161 | L157-V159 PolarHBondContact O-N 2.74Å; V159-R161 PolarHBondContact O-N 3.13Å |
| 160 | C | 28.6 | Very low | 26.5 | Very low | 29 Ų | 29 | 129.4 Ų | 129.4 | 20% | 0.196 | 67% | 0.667 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.3 | 98.6 | 175.6 | -75.7 | 0 | 0 | 0 | 0 | 111.1 | R162 L181 | C160-R162 PolarHBondContact O-N 3.04Å; C160-L181 HydrophobicContact CB-CB 4.25Å; C160-L181 HydrophobicContact CB-CD2 4.14Å |
| 161 | R | 27.8 | Very low | 26.3 | Very low | 227 Ų | 227 | 131 Ų | 131 | 86% | 0.857 | 67% | 0.668 | S | S | * | * | | | trans | -80.2 | 110.3 | 167.2 | -70.2 | -173.5 | 177.9 | -179.2 | 0.1 | 110.1 | V159 | V159-R161 PolarHBondContact O-N 3.13Š|
| 162 | R | 30.9 | Very low | 26.2 | Very low | 235 Ų | 235 | 134.1 Ų | 134.1 | 89% | 0.887 | 67% | 0.671 | S | S | * | * | | | trans | -96 | 125.3 | 176.7 | -153.1 | 171 | -169 | 166.2 | 3 | 111.2 | C160 | C160-R162 PolarHBondContact O-N 3.04Š|
| 163 | G | 27.4 | Very low | 26 | Very low | 67 Ų | 67 | 142.7 Ų | 142.7 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | | | trans | -76.1 | 159.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | R165 | G163-R165 PolarHBondContact O-N 3.27Š|
| 164 | R | 26.2 | Very low | 25.7 | Very low | 245 Ų | 245 | 144.2 Ų | 144.2 | 93% | 0.925 | 69% | 0.693 | S | S | * | * | | | trans | -60.1 | 114 | 171.7 | -80.9 | 178.3 | 167.8 | 172 | -3.4 | 110.6 | | |
| 165 | R | 28.2 | Very low | 25.5 | Very low | 224 Ų | 224 | 148.1 Ų | 148.1 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | | | trans | -107.6 | 122.7 | 149 | -89.3 | -172.5 | 168.7 | -175 | -3.8 | 107.9 | G163 | G163-R165 PolarHBondContact O-N 3.27Š|
| 166 | R | 24.2 | Very low | 25.4 | Very low | 226 Ų | 226 | 150.8 Ų | 150.8 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | | | trans | -75.4 | 124.5 | 169.6 | -68.8 | 178.7 | 175.8 | 175.2 | -1.6 | 107.3 | | |
| 167 | F | 24.6 | Very low | 25.1 | Very low | 198 Ų | 198 | 149.6 Ų | 149.6 | 87% | 0.868 | 72% | 0.718 | S | S | * | * | | | trans | -94.2 | 119.9 | 163.9 | -74.7 | -88.8 | 0 | 0 | 0 | 108 | | |
| 168 | T | 20.7 | Very low | 25 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | | | trans | -105.9 | 90.4 | 171.6 | 45.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 169 | Q | 23 | Very low | 25 | Very low | 183 Ų | 183 | 155.3 Ų | 155.3 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | | | trans | -142.8 | 153.5 | 159.6 | -151.7 | 161.9 | 3.4 | 0 | 0 | 109.3 | | |
| 170 | S | 21.1 | Very low | 25.1 | Very low | 97 Ų | 97 | 154.8 Ų | 154.8 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -52 | 146.3 | -161.4 | 42.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 171 | T | 21.2 | Very low | 25.2 | Very low | 126 Ų | 126 | 156.2 Ų | 156.2 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 54.9 | 60.4 | 151.5 | 57.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 172 | N | 21.2 | Very low | 25.4 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | | | trans | -178.7 | 118.9 | 130.5 | -94.9 | -40.7 | 0 | 0 | 0 | 110.9 | L174 | N172-L174 PolarHBondContact O-N 3.26Š|
| 173 | R | 20.5 | Very low | 25.4 | Very low | 254 Ų | 254 | 138.9 Ų | 138.9 | 96% | 0.958 | 68% | 0.68 | S | S | * | * | | | trans | -80.7 | 81 | -178.9 | -77.9 | -173.3 | 174.5 | -178 | 1.1 | 111.9 | Q175 | R173-Q175 PolarHBondContact O-N 3.04Š|
| 174 | L | 21.5 | Very low | 25.6 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 80% | 0.801 | 66% | 0.661 | S | S | * | * | | | trans | -82.6 | 96 | 165 | -88.4 | 163.4 | 0 | 0 | 0 | 110.7 | N172 V176 | N172-L174 PolarHBondContact O-N 3.26Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 HydrophobicContact CB-CG2 4.17Å; L174-V176 PolarHBondContact O-N 2.92Å |
| 175 | Q | 22.9 | Very low | 25.8 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 88% | 0.879 | 64% | 0.636 | S | S | * | * | | | trans | -81.3 | 72.5 | -179.1 | -168.5 | 177.7 | -1.7 | 0 | 0 | 110.9 | R173 S177 | R173-Q175 PolarHBondContact O-N 3.04Å; Q175-S177 PolarHBondContact O-N 3.24Å |
| 176 | V | 24.5 | Very low | 25.8 | Very low | 96 Ų | 96 | 124 Ų | 124 | 58% | 0.582 | 61% | 0.614 | S | S | * | * | | | trans | -84.3 | 102.3 | -174.3 | -149.5 | 0 | 0 | 0 | 0 | 111.7 | L174 W179 | L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 HydrophobicContact CB-CG2 4.17Å; L174-V176 PolarHBondContact O-N 2.92Å; V176-W179 HydrophobicContact CG1-CZ2 3.91Å |
| 177 | S | 24.6 | Very low | 26.1 | Very low | 85 Ų | 85 | 118.9 Ų | 118.9 | 59% | 0.594 | 60% | 0.603 | S | S | * | * | | | trans | -90.7 | 136.4 | 178 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | Q175 | Q175-S177 PolarHBondContact O-N 3.24Š|
| 178 | N | 27.3 | Very low | 26.2 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 60% | 0.604 | 59% | 0.588 | S | S | * | * | | | trans | 58.1 | 101.2 | 164.3 | -59.1 | -1 | 0 | 0 | 0 | 117.4 | | |
| 179 | W | 30.7 | Very low | 26.4 | Very low | 164 Ų | 164 | 113.1 Ų | 113.1 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.4 | 132 | 167.5 | -63.9 | 71.5 | 0 | 0 | 0 | 109.9 | V176 V197 | V176-W179 HydrophobicContact CG1-CZ2 3.91Å; W179-V197 HydrophobicContact CE3-CG1 3.88Å; W179-V197 HydrophobicContact CZ3-CG1 4.25Å |
| 180 | T | 30.2 | Very low | 26.5 | Very low | 45 Ų | 45 | 113.5 Ų | 113.5 | 28% | 0.276 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.5 | 172.7 | -55.2 | 0 | 0 | 0 | 0 | 109.3 | F182 V198 | T180-F182 HydrophobicContact CG2-CD2 4.01Å; T180-F182 HydrophobicContact CG2-CE1 4.18Å; T180-F182 HydrophobicContact CG2-CE2 3.41Å; T180-F182 VanDerWaalsContact CG2-CE2 3.41Å; T180-F182 HydrophobicContact CG2-CZ 3.51Å; T180-V198 CarbonylContact C-O 3.54Å; T180-V198 WeakPolarHBondContact CA-O 3.33Å; T180-V198 WeakPolarHBondContact CB-O 3.45Å; T180-V198 PolarHBondContact N-O 3.41Å; T180-V198 PolarHBondContact O-N 3.35Å; T180-V198 VanDerWaalsContact O-N 3.1Å |
| 181 | L | 30.7 | Very low | 26.7 | Very low | 59 Ų | 59 | 111.7 Ų | 111.7 | 31% | 0.309 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 116.1 | 176.9 | -175.5 | 71.7 | 0 | 0 | 0 | 109.6 | C160 V183 V197 | C160-L181 HydrophobicContact CB-CB 4.25Å; C160-L181 HydrophobicContact CB-CD2 4.14Å; L181-V183 HydrophobicContact CD2-CG2 3.97Å; L181-V183 HydrophobicContact CG-CG2 4.05Å; L181-V197 HydrophobicContact CD1-CB 4.32Å; L181-V197 HydrophobicContact CD1-CG1 4.18Å; L181-V197 HydrophobicContact CD1-CG2 3.75Å |
| 182 | F | 31 | Very low | 27 | Very low | 71 Ų | 71 | 109.8 Ų | 109.8 | 31% | 0.311 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 102.8 | 174.4 | -67.7 | -84 | 0 | 0 | 0 | 109.7 | T180 L184 L196 V198 | T180-F182 HydrophobicContact CG2-CD2 4.01Å; T180-F182 HydrophobicContact CG2-CE1 4.18Å; T180-F182 HydrophobicContact CG2-CE2 3.41Å; T180-F182 VanDerWaalsContact CG2-CE2 3.41Å; T180-F182 HydrophobicContact CG2-CZ 3.51Å; F182-L184 PolarHBondContact O-N 3.45Å; F182-L196 CarbonylContact C-O 3.54Å; F182-L196 PolarHBondContact N-O 2.79Å; F182-L196 PolarHBondContact O-N 3.24Å; F182-V198 HydrophobicContact CD2-CB 4Å; F182-V198 HydrophobicContact CD2-CG2 4.07Å; F182-V198 HydrophobicContact CE2-CB 4.05Å; F182-V198 HydrophobicContact CE2-CG2 4.48Å |
| 183 | V | 32.7 | Very low | 27.4 | Very low | 27 Ų | 27 | 107.4 Ų | 107.4 | 16% | 0.164 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 93.9 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | I158 L181 K185 L195 | I158-V183 HydrophobicContact CB-CB 4.26Å; I158-V183 PolarHBondContact O-N 2.65Å; L181-V183 HydrophobicContact CD2-CG2 3.97Å; L181-V183 HydrophobicContact CG-CG2 4.05Å; V183-K185 PolarHBondContact O-N 2.93Å; V183-L195 HydrophobicContact CB-CD2 4.41Å; V183-L195 HydrophobicContact CG1-CD2 4.12Å; V183-L195 HydrophobicContact CG2-CD2 3.87Å |
| 184 | L | 30 | Very low | 28 | Very low | 55 Ų | 55 | 99.3 Ų | 99.3 | 29% | 0.288 | 54% | 0.537 | S | S | . | . | | | trans | -78.3 | 101.5 | 168.2 | -96.7 | 113.2 | 0 | 0 | 0 | 109.5 | L157 F182 I186 | L157-L184 HydrophobicContact CD2-CD1 4.44Å; L157-L184 HydrophobicContact CD2-CG 4.28Å; F182-L184 PolarHBondContact O-N 3.45Å; L184-I186 HydrophobicContact CB-CG1 4.3Å; L184-I186 HydrophobicContact CD2-CD1 4.23Å; L184-I186 HydrophobicContact CD2-CG1 4.1Å; L184-I186 PolarHBondContact O-N 3.39Å |
| 185 | K | 31.4 | Very low | 28.4 | Very low | 94 Ų | 94 | 96.5 Ų | 96.5 | 41% | 0.409 | 52% | 0.522 | S | S | . | . | | | trans | -80.6 | 94.4 | 164.5 | -173.4 | -180 | -174 | -105.3 | 0 | 108.6 | P155 V183 D187 | P155-K185 WeakPolarHBondContact CB-O 3.2Å; P155-K185 WeakPolarHBondContact CG-O 3.03Å; V183-K185 PolarHBondContact O-N 2.93Å; K185-D187 WeakPolarHBondContact CE-OD1 3.27Å; K185-D187 IonicContact NZ-OD1 2.64Å; K185-D187 PolarHBondContact NZ-OD1 3.05Å; K185-D187 IonicContact NZ-OD2 3Å; K185-D187 PolarHBondContact NZ-OD2 2.87Å |
| 186 | I | 28.3 | Very low | 28.8 | Very low | 76 Ų | 76 | 91.4 Ų | 91.4 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | | | trans | -89.2 | 104.2 | 171.6 | -53.5 | 176.6 | 0 | 0 | 0 | 107.7 | L184 L188 | L184-I186 HydrophobicContact CB-CG1 4.3Å; L184-I186 HydrophobicContact CD2-CD1 4.23Å; L184-I186 HydrophobicContact CD2-CG1 4.1Å; L184-I186 PolarHBondContact O-N 3.39Å; I186-L188 VanDerWaalsContact C-N 3.32Å; I186-L188 HydrophobicContact CG2-CB 4.41Å; I186-L188 HydrophobicContact CG2-CD1 3.59Å; I186-L188 HydrophobicContact CG2-CG 3.71Å; I186-L188 PolarHBondContact O-N 3.38Å |
| 187 | D | 30.3 | Very low | 29.2 | Very low | 117 Ų | 117 | 89.1 Ų | 89.1 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | | | trans | -77.3 | 84.1 | 170.7 | -74.3 | -50.3 | 0 | 0 | 0 | 109.7 | K185 | K185-D187 WeakPolarHBondContact CE-OD1 3.27Å; K185-D187 IonicContact NZ-OD1 2.64Å; K185-D187 PolarHBondContact NZ-OD1 3.05Å; K185-D187 IonicContact NZ-OD2 3Å; K185-D187 PolarHBondContact NZ-OD2 2.87Å |
| 188 | L | 25.9 | Very low | 29.6 | Very low | 102 Ų | 102 | 87.6 Ų | 87.6 | 53% | 0.534 | 47% | 0.474 | S | S | . | . | | | trans | -102.6 | 136.7 | 168.4 | -87.2 | 162.9 | 0 | 0 | 0 | 108.9 | I186 H190 A191 | I186-L188 VanDerWaalsContact C-N 3.32Å; I186-L188 HydrophobicContact CG2-CB 4.41Å; I186-L188 HydrophobicContact CG2-CD1 3.59Å; I186-L188 HydrophobicContact CG2-CG 3.71Å; I186-L188 PolarHBondContact O-N 3.38Å; L188-H190 PolarHBondContact O-N 2.97Å; L188-A191 HydrophobicContact CB-CB 3.74Å; L188-A191 HydrophobicContact CD1-CB 3.97Å; L188-A191 PolarHBondContact O-N 3.28Å |
| 189 | P | 24.6 | Very low | 29.7 | Very low | 113 Ų | 113 | 83.1 Ų | 83.1 | 73% | 0.734 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -9.9 | -171.4 | 23.4 | -33.5 | 0 | 0 | 0 | 115.4 | | |
| 190 | H | 25.9 | Very low | 29.5 | Very low | 192 Ų | 192 | 81 Ų | 81 | 89% | 0.889 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.6 | 12.4 | -177 | -60.9 | -58.2 | 0 | 0 | 0 | 115.1 | L188 | L188-H190 PolarHBondContact O-N 2.97Š|
| 191 | A | 25.7 | Very low | 29.5 | Very low | 59 Ų | 59 | 88.3 Ų | 88.3 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | | | trans | -125.6 | 150.9 | -167 | 0 | 0 | 0 | 0 | 0 | 115.6 | L188 | L188-A191 HydrophobicContact CB-CB 3.74Å; L188-A191 HydrophobicContact CD1-CB 3.97Å; L188-A191 PolarHBondContact O-N 3.28Å |
| 192 | A | 27.6 | Very low | 29.3 | Very low | 86 Ų | 86 | 90.8 Ų | 90.8 | 71% | 0.711 | 50% | 0.496 | S | S | * | . | | | trans | -70.4 | 154.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T194 | A192-T194 PolarHBondContact O-N 3.35Š|
| 193 | L | 29.1 | Very low | 29 | Very low | 106 Ų | 106 | 92.3 Ų | 92.3 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | | | trans | -82.2 | 107.9 | 179.3 | -170.4 | 146.7 | 0 | 0 | 0 | 110.8 | L195 | L193-L195 HydrophobicContact CD2-CG 4.21Š|
| 194 | T | 32.5 | Very low | 28.7 | Very low | 84 Ų | 84 | 96.6 Ų | 96.6 | 52% | 0.515 | 54% | 0.54 | S | S | . | . | | | trans | -89.3 | 114.7 | -179.4 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | A192 | A192-T194 PolarHBondContact O-N 3.35Š|
| 195 | L | 31.1 | Very low | 28.6 | Very low | 94 Ų | 94 | 105.9 Ų | 105.9 | 49% | 0.492 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.3 | 170.5 | -86.6 | 154.6 | 0 | 0 | 0 | 110.4 | V183 L193 | V183-L195 HydrophobicContact CB-CD2 4.41Å; V183-L195 HydrophobicContact CG1-CD2 4.12Å; V183-L195 HydrophobicContact CG2-CD2 3.87Å; L193-L195 HydrophobicContact CD2-CG 4.21Å |
| 196 | L | 31.5 | Very low | 28.4 | Very low | 82 Ų | 82 | 106.6 Ų | 106.6 | 43% | 0.429 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 113 | 176.5 | -157.7 | 84.1 | 0 | 0 | 0 | 110.3 | F182 V198 | F182-L196 CarbonylContact C-O 3.54Å; F182-L196 PolarHBondContact N-O 2.79Å; F182-L196 PolarHBondContact O-N 3.24Å; L196-V198 HydrophobicContact CD2-CG2 3.78Å; L196-V198 HydrophobicContact CG-CG2 4.03Å |
| 197 | V | 33.1 | Very low | 28.3 | Very low | 48 Ų | 48 | 105.5 Ų | 105.5 | 29% | 0.291 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.2 | 175 | -162.5 | 0 | 0 | 0 | 0 | 108.4 | W179 L181 | W179-V197 HydrophobicContact CE3-CG1 3.88Å; W179-V197 HydrophobicContact CZ3-CG1 4.25Å; L181-V197 HydrophobicContact CD1-CB 4.32Å; L181-V197 HydrophobicContact CD1-CG1 4.18Å; L181-V197 HydrophobicContact CD1-CG2 3.75Å |
| 198 | V | 31.6 | Very low | 28.2 | Very low | 52 Ų | 52 | 103.9 Ų | 103.9 | 32% | 0.315 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.4 | 115.8 | -179.4 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | T180 F182 L196 | T180-V198 CarbonylContact C-O 3.54Å; T180-V198 WeakPolarHBondContact CA-O 3.33Å; T180-V198 WeakPolarHBondContact CB-O 3.45Å; T180-V198 PolarHBondContact N-O 3.41Å; T180-V198 PolarHBondContact O-N 3.35Å; T180-V198 VanDerWaalsContact O-N 3.1Å; F182-V198 HydrophobicContact CD2-CB 4Å; F182-V198 HydrophobicContact CD2-CG2 4.07Å; F182-V198 HydrophobicContact CE2-CB 4.05Å; F182-V198 HydrophobicContact CE2-CG2 4.48Å; L196-V198 HydrophobicContact CD2-CG2 3.78Å; L196-V198 HydrophobicContact CG-CG2 4.03Å |
| 199 | G | 29.4 | Very low | 28.2 | Very low | 19 Ų | 19 | 101.6 Ų | 101.6 | 20% | 0.196 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.9 | 144.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K201 L202 | G199-K201 PolarHBondContact O-N 3.03Å; G199-L202 PolarHBondContact O-N 2.94Å |
| 200 | D | 27.9 | Very low | 28.3 | Very low | 120 Ų | 120 | 102.3 Ų | 102.3 | 64% | 0.642 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 19.9 | -167.1 | -74.9 | -31.1 | 0 | 0 | 0 | 116.2 | | |
| 201 | K | 28.6 | Very low | 28.4 | Very low | 199 Ų | 199 | 98.6 Ų | 98.6 | 87% | 0.865 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.8 | -8.8 | 173.4 | -81 | -156.8 | 170 | -169.1 | 0 | 117 | G199 | G199-K201 PolarHBondContact O-N 3.03Š|
| 202 | L | 26.2 | Very low | 28.4 | Very low | 111 Ų | 111 | 103.3 Ų | 103.3 | 58% | 0.581 | 56% | 0.555 | S | S | * | * | B | Isolated β-bridge | trans | -146.7 | 100.1 | 175.5 | -90.8 | 161.3 | 0 | 0 | 0 | 109.8 | G199 Q204 | G199-L202 PolarHBondContact O-N 2.94Å; L202-Q204 HydrophobicContact CD2-CG 3.92Å; L202-Q204 PolarHBondContact O-N 2.84Å |
| 203 | A | 25.8 | Very low | 28.4 | Very low | 102 Ų | 102 | 108.7 Ų | 108.7 | 84% | 0.843 | 56% | 0.557 | S | S | * | * | | | trans | -74.9 | 49.8 | 162 | 0 | 0 | 0 | 0 | 0 | 110.7 | R205 | A203-R205 PolarHBondContact O-N 3Š|
| 204 | Q | 26.4 | Very low | 28.2 | Very low | 118 Ų | 118 | 111 Ų | 111 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | | | trans | -69.9 | 123.6 | 166.9 | -91.7 | 176.5 | -8 | 0 | 0 | 108.1 | L202 F206 | L202-Q204 HydrophobicContact CD2-CG 3.92Å; L202-Q204 PolarHBondContact O-N 2.84Å; Q204-F206 VanDerWaalsContact C-N 3.31Å; Q204-F206 HydrophobicContact CB-CE2 4.17Å; Q204-F206 WeakPolarHBondContact O-CD2 3.32Å; Q204-F206 PolarHBondContact O-N 3.39Å |
| 205 | R | 28.1 | Very low | 27.9 | Very low | 250 Ų | 250 | 111 Ų | 111 | 94% | 0.943 | 57% | 0.573 | S | S | * | * | | | trans | -61.9 | 95.3 | 166.3 | -82.2 | 178.6 | 165.5 | 171.6 | -4.8 | 108.4 | A203 S207 | A203-R205 PolarHBondContact O-N 3Å; R205-S207 VanDerWaalsContact C-N 3.35Å; R205-S207 PolarHBondContact O-N 2.78Å |
| 206 | F | 27.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 109.9 Ų | 109.9 | 48% | 0.478 | 58% | 0.584 | S | S | . | * | | | trans | -69.1 | 97.5 | 162.9 | -72.1 | -82.3 | 0 | 0 | 0 | 108.2 | Q204 | Q204-F206 VanDerWaalsContact C-N 3.31Å; Q204-F206 HydrophobicContact CB-CE2 4.17Å; Q204-F206 WeakPolarHBondContact O-CD2 3.32Å; Q204-F206 PolarHBondContact O-N 3.39Å |
| 207 | S | 26 | Very low | 27.2 | Very low | 53 Ų | 53 | 121.3 Ų | 121.3 | 37% | 0.371 | 62% | 0.621 | S | S | . | * | | | trans | -58.1 | 149.8 | 150.4 | -169.4 | 0 | 0 | 0 | 0 | 108.3 | R205 D209 | R205-S207 VanDerWaalsContact C-N 3.35Å; R205-S207 PolarHBondContact O-N 2.78Å; S207-D209 PolarHBondContact O-N 2.84Å |
| 208 | A | 28.4 | Very low | 26.9 | Very low | 82 Ų | 82 | 125 Ų | 125 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -0.7 | -164 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 209 | D | 26.3 | Very low | 26.6 | Very low | 54 Ų | 54 | 128.8 Ų | 128.8 | 29% | 0.289 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.1 | 8.1 | -162.7 | -49.9 | -29.7 | 0 | 0 | 0 | 113.7 | I20 V21 S207 | I20-D209 VanDerWaalsContact CA-OD2 3.29Å; I20-D209 WeakPolarHBondContact CA-OD2 2.98Å; I20-D209 WeakPolarHBondContact CB-OD2 3.48Å; I20-D209 WeakPolarHBondContact CG2-OD2 3.29Å; V21-D209 VanDerWaalsContact N-CG 3.29Å; V21-D209 PolarHBondContact N-OD2 3.49Å; V21-D209 VanDerWaalsContact O-CG 3.31Å; S207-D209 PolarHBondContact O-N 2.84Å |
| 210 | R | 26.8 | Very low | 26.5 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 49% | 0.487 | 68% | 0.68 | S | S | . | * | | | trans | -121.2 | 17.1 | 177.9 | -74.2 | -171.3 | 169.9 | -151.1 | -8.5 | 114.8 | H17 G18 S19 L212 | H17-R210 PolarHBondContact O-NH2 3.23Å; G18-R210 VanDerWaalsContact C-CZ 3.44Å; G18-R210 PolarHBondContact O-NE 3.47Å; G18-R210 VanDerWaalsContact O-NE 3.11Å; G18-R210 PolarHBondContact O-NH2 3.11Å; S19-R210 VanDerWaalsContact N-NH2 3.12Å; S19-R210 PolarHBondContact O-NE 2.99Å; R210-L212 PolarHBondContact O-N 3.23Å |
| 211 | L | 26.9 | Very low | 26.4 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 59% | 0.592 | 68% | 0.682 | S | S | * | * | | | trans | -77.9 | 55.2 | 166.8 | -81.7 | 167 | 0 | 0 | 0 | 111.8 | W213 | L211-W213 VanDerWaalsContact C-N 3.32Å; L211-W213 PolarHBondContact O-N 2.86Å |
| 212 | L | 25.3 | Very low | 26.2 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | | | trans | -73.4 | 85.2 | 166 | -88.4 | 162.1 | 0 | 0 | 0 | 109.3 | R210 N214 | R210-L212 PolarHBondContact O-N 3.23Å; L212-N214 PolarHBondContact O-N 3.28Å |
| 213 | W | 28.8 | Very low | 26.2 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | | | trans | -82.6 | 98.7 | 170 | -155.7 | -49.7 | 0 | 0 | 0 | 109.8 | L211 C215 | L211-W213 VanDerWaalsContact C-N 3.32Å; L211-W213 PolarHBondContact O-N 2.86Å; W213-C215 PolarHBondContact O-N 3.46Å |
| 214 | N | 23.7 | Very low | 26.3 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 67% | 0.665 | S | S | * | * | | | trans | -63.4 | 97.6 | 165.2 | -99.9 | -15.8 | 0 | 0 | 0 | 109.8 | L212 | L212-N214 PolarHBondContact O-N 3.28Š|
| 215 | C | 26 | Very low | 26.3 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 57% | 0.574 | 67% | 0.674 | S | S | * | * | | | trans | -94 | 103.6 | 157.1 | -85.9 | 0 | 0 | 0 | 0 | 107.3 | W213 | W213-C215 PolarHBondContact O-N 3.46Š|
| 216 | G | 23.3 | Very low | 26.1 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 65% | 0.651 | S | S | * | * | | | trans | -63.2 | 136.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 217 | R | 24.6 | Very low | 26 | Very low | 322 Ų | 322 | 129.1 Ų | 129.1 | 100% | 1.215 | 67% | 0.667 | S | S | * | * | | | | -104.3 | 0 | 98.1 | -76 | -174.5 | 176.2 | -177.3 | -1.1 | 108.3 | | |