| 1 | M | 46.9 | Very low | 55.6 | Low | 244 Ų | 244 | 160.1 Ų | 160.1 | 100% | 1.202 | 82% | 0.823 | S | S | * | * | | | | 0 | 107.2 | 0 | -67.7 | 172.8 | 75.8 | 0 | 0 | 107.4 | S3 | M1-S3 PolarHBondContact O-N 2.93Š|
| 2 | S | 52.4 | Low | 56.1 | Low | 124 Ų | 124 | 155.4 Ų | 155.4 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | trans | -69.7 | 120.9 | -172.6 | -75 | 0 | 0 | 0 | 0 | 111.8 | L4 | S2-L4 PolarHBondContact O-N 2.91Š|
| 3 | S | 51.2 | Low | 56.3 | Low | 94 Ų | 94 | 153.6 Ų | 153.6 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | | | trans | -73.1 | 102.3 | 169.1 | 167.5 | 0 | 0 | 0 | 0 | 109 | M1 R5 | M1-S3 PolarHBondContact O-N 2.93Å; S3-R5 PolarHBondContact O-N 3.34Å; S3-R5 VanDerWaalsContact O-N 3.14Å |
| 4 | L | 61.3 | Low | 56.8 | Low | 174 Ų | 174 | 153.5 Ų | 153.5 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | | | trans | -74.8 | 98 | 165.8 | -94.3 | 139.6 | 0 | 0 | 0 | 107.7 | S2 | S2-L4 PolarHBondContact O-N 2.91Š|
| 5 | R | 61.9 | Low | 57.3 | Low | 215 Ų | 215 | 152.7 Ų | 152.7 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -73.6 | 129.4 | 175.5 | -65.5 | -160.7 | -179.9 | -176.3 | 2.8 | 110 | S3 | S3-R5 PolarHBondContact O-N 3.34Å; S3-R5 VanDerWaalsContact O-N 3.14Å |
| 6 | R | 53.6 | Low | 57.5 | Low | 246 Ų | 246 | 150 Ų | 150 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | | | trans | 3 | 111.8 | 154.2 | -74 | 173 | 153.2 | 154.9 | -6.8 | 115.2 | | |
| 7 | T | 57.7 | Low | 57.2 | Low | 132 Ų | 132 | 145.2 Ų | 145.2 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | -100.4 | 109.9 | 150.9 | -53.3 | 0 | 0 | 0 | 0 | 106.9 | L9 | T7-L9 PolarHBondContact O-N 3.07Š|
| 8 | D | 57.3 | Low | 57.2 | Low | 122 Ų | 122 | 147.6 Ų | 147.6 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | | | trans | -64.1 | 112.7 | 180 | -149.8 | 10.7 | 0 | 0 | 0 | 108.7 | H10 | D8-H10 PolarHBondContact O-N 2.9Å; D8-H10 VanDerWaalsContact O-N 3.13Å; D8-H10 IonicContact OD1-CD2 3.21Å; D8-H10 PolarHBondContact OD1-CD2 3.44Å |
| 9 | L | 58.6 | Low | 57.7 | Low | 168 Ų | 168 | 149.5 Ų | 149.5 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | | | trans | -79.3 | 19.5 | 179.4 | -75.4 | 167.5 | 0 | 0 | 0 | 112.4 | T7 S11 | T7-L9 PolarHBondContact O-N 3.07Å; L9-S11 PolarHBondContact O-N 3.46Å |
| 10 | H | 56 | Low | 57.8 | Low | 151 Ų | 151 | 149.5 Ų | 149.5 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | | | trans | -85.3 | 35.3 | 172.3 | -66.8 | -58.9 | 0 | 0 | 0 | 112.5 | D8 S12 | D8-H10 PolarHBondContact O-N 2.9Å; D8-H10 VanDerWaalsContact O-N 3.13Å; D8-H10 IonicContact OD1-CD2 3.21Å; D8-H10 PolarHBondContact OD1-CD2 3.44Å; H10-S12 PolarHBondContact O-N 3.2Å |
| 11 | S | 54.9 | Low | 58.1 | Low | 91 Ų | 91 | 147.5 Ų | 147.5 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | trans | -74.5 | 76 | 166.5 | 174.3 | 0 | 0 | 0 | 0 | 108.8 | L9 I13 | L9-S11 PolarHBondContact O-N 3.46Å; S11-I13 PolarHBondContact O-N 3.16Å |
| 12 | S | 61.4 | Low | 58.8 | Low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -61.7 | 100.7 | 162.9 | -63.5 | 0 | 0 | 0 | 0 | 107.5 | H10 D14 | H10-S12 PolarHBondContact O-N 3.2Å; S12-D14 PolarHBondContact O-N 3.41Å; S12-D14 VanDerWaalsContact O-N 3.14Å |
| 13 | I | 59.2 | Low | 59.3 | Low | 132 Ų | 132 | 143 Ų | 143 | 68% | 0.677 | 76% | 0.76 | S | S | * | * | | | trans | -70.2 | 106.5 | 169.8 | -68.9 | 141.1 | 0 | 0 | 0 | 105.6 | S11 L15 | S11-I13 PolarHBondContact O-N 3.16Å; I13-L15 VanDerWaalsContact C-N 3.35Å; I13-L15 HydrophobicContact CG2-CD1 4.26Å; I13-L15 PolarHBondContact O-N 3.15Å |
| 14 | D | 63.5 | Low | 59.7 | Low | 152 Ų | 152 | 144.2 Ų | 144.2 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -57.3 | 99.5 | 167 | -78.6 | -56.2 | 0 | 0 | 0 | 108 | S12 P16 | S12-D14 PolarHBondContact O-N 3.41Å; S12-D14 VanDerWaalsContact O-N 3.14Å; D14-P16 WeakPolarHBondContact O-CD 3.15Å |
| 15 | L | 63 | Low | 59.2 | Low | 142 Ų | 142 | 138.7 Ų | 138.7 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | trans | -63.1 | 122.2 | 170.7 | -99.7 | 72.3 | 0 | 0 | 0 | 107.2 | I13 G17 | I13-L15 VanDerWaalsContact C-N 3.35Å; I13-L15 HydrophobicContact CG2-CD1 4.26Å; I13-L15 PolarHBondContact O-N 3.15Å; L15-G17 PolarHBondContact O-N 2.78Å; L15-G17 VanDerWaalsContact O-N 3.11Å |
| 16 | P | 60.8 | Low | 59.1 | Low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | | | trans | -59.5 | 123.3 | 174.6 | 24.1 | -31.4 | 0 | 0 | 0 | 107.7 | D14 H18 | D14-P16 WeakPolarHBondContact O-CD 3.15Å; P16-H18 PolarHBondContact O-N 2.88Å |
| 17 | G | 52.8 | Low | 59.2 | Low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | -46.5 | 107.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110 | L15 Q19 | L15-G17 PolarHBondContact O-N 2.78Å; L15-G17 VanDerWaalsContact O-N 3.11Å; G17-Q19 PolarHBondContact O-N 2.91Å |
| 18 | H | 57.4 | Low | 59.1 | Low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | | | trans | -67.1 | 87.1 | 166.4 | -89.4 | -48.9 | 0 | 0 | 0 | 107.1 | P16 H20 | P16-H18 PolarHBondContact O-N 2.88Å; H18-H20 VanDerWaalsContact C-N 3.34Å; H18-H20 PolarHBondContact O-N 3.22Å |
| 19 | Q | 66.1 | Low | 59 | Low | 185 Ų | 185 | 127.2 Ų | 127.2 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | | | trans | -62.1 | 102.8 | 161.5 | -69.8 | -177.5 | -21.8 | 0 | 0 | 106.2 | G17 P21 | G17-Q19 PolarHBondContact O-N 2.91Å; Q19-P21 WeakPolarHBondContact O-CD 3.47Å |
| 20 | H | 60.3 | Low | 59 | Low | 148 Ų | 148 | 127.5 Ų | 127.5 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119.2 | 171.6 | -169.2 | -70.4 | 0 | 0 | 0 | 107.2 | H18 H22 | H18-H20 VanDerWaalsContact C-N 3.34Å; H18-H20 PolarHBondContact O-N 3.22Å; H20-H22 PolarHBondContact O-N 3.04Å |
| 21 | P | 64.3 | Low | 59 | Low | 108 Ų | 108 | 126.4 Ų | 126.4 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -62 | 116.3 | 171.9 | 24.9 | -30.9 | 0 | 0 | 0 | 107.4 | Q19 P23 | Q19-P21 WeakPolarHBondContact O-CD 3.47Å; P21-P23 WeakPolarHBondContact O-CD 3.32Å |
| 22 | H | 61.5 | Low | 59.4 | Low | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.1 | 168.3 | -81.9 | -86.1 | 0 | 0 | 0 | 107.5 | H20 S24 | H20-H22 PolarHBondContact O-N 3.04Å; H22-S24 PolarHBondContact O-N 3Å |
| 23 | P | 62.8 | Low | 59.2 | Low | 113 Ų | 113 | 131.8 Ų | 131.8 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | trans | -66.1 | 90.8 | 165.3 | 25.2 | -29.6 | 0 | 0 | 0 | 108 | P21 G25 | P21-P23 WeakPolarHBondContact O-CD 3.32Å; P23-G25 PolarHBondContact O-N 2.79Å; P23-G25 VanDerWaalsContact O-N 3.15Å |
| 24 | S | 60 | Low | 59 | Low | 120 Ų | 120 | 129.4 Ų | 129.4 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | | | trans | -68.4 | 100.2 | 164.5 | -66.5 | 0 | 0 | 0 | 0 | 107.8 | H22 | H22-S24 PolarHBondContact O-N 3Š|
| 25 | G | 50.4 | Low | 58.8 | Low | 57 Ų | 57 | 127.8 Ų | 127.8 | 59% | 0.588 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 125.9 | 137.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116 | P23 | P23-G25 PolarHBondContact O-N 2.79Å; P23-G25 VanDerWaalsContact O-N 3.15Å |
| 26 | A | 59.1 | Low | 58.6 | Low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | | | trans | 85.9 | 12.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120 | G28 | A26-G28 PolarHBondContact O-N 2.88Š|
| 27 | W | 57.1 | Low | 58.5 | Low | 236 Ų | 236 | 124.2 Ų | 124.2 | 89% | 0.894 | 71% | 0.708 | S | S | * | * | | | trans | -84.3 | 22.5 | 151.8 | -58 | 113.6 | 0 | 0 | 0 | 112.7 | V29 | W27-V29 HydrophobicContact CE3-CG2 4.42Å; W27-V29 PolarHBondContact O-N 3.11Å |
| 28 | G | 54.9 | Low | 58.9 | Low | 61 Ų | 61 | 127.4 Ų | 127.4 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | | | trans | -71 | 51.4 | 157 | 0 | 0 | 0 | 0 | 0 | 110.7 | A26 Q30 | A26-G28 PolarHBondContact O-N 2.88Å; G28-Q30 PolarHBondContact O-N 3.47Å |
| 29 | V | 55.3 | Low | 58.8 | Low | 87 Ų | 87 | 124.6 Ų | 124.6 | 53% | 0.527 | 70% | 0.699 | S | S | . | * | | | trans | -71.9 | 88.3 | 160.2 | 179.4 | 0 | 0 | 0 | 0 | 104.5 | W27 H31 | W27-V29 HydrophobicContact CE3-CG2 4.42Å; W27-V29 PolarHBondContact O-N 3.11Å; V29-H31 PolarHBondContact O-CD2 2.91Å; V29-H31 PolarHBondContact O-N 2.79Å; V29-H31 VanDerWaalsContact O-N 3.07Å |
| 30 | Q | 59.1 | Low | 58.4 | Low | 174 Ų | 174 | 122.2 Ų | 122.2 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | | | trans | -61.2 | 110.9 | 172.9 | -63.1 | 177.9 | 7.3 | 0 | 0 | 106.5 | G28 P32 | G28-Q30 PolarHBondContact O-N 3.47Å; Q30-P32 WeakPolarHBondContact O-CD 3.27Å |
| 31 | H | 55.6 | Low | 58.5 | Low | 128 Ų | 128 | 122.2 Ų | 122.2 | 59% | 0.593 | 69% | 0.692 | S | S | * | * | | | trans | -84.5 | 106.8 | 168.9 | -72.7 | -78 | 0 | 0 | 0 | 107.5 | V29 Y33 S34 | V29-H31 PolarHBondContact O-CD2 2.91Å; V29-H31 PolarHBondContact O-N 2.79Å; V29-H31 VanDerWaalsContact O-N 3.07Å; H31-Y33 PolarHBondContact O-N 2.98Å; H31-S34 PolarHBondContact O-N 3.14Å |
| 32 | P | 62.4 | Low | 58 | Low | 112 Ų | 112 | 123.8 Ų | 123.8 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 4.9 | -176.6 | 25.6 | -33 | 0 | 0 | 0 | 114.4 | Q30 | Q30-P32 WeakPolarHBondContact O-CD 3.27Š|
| 33 | Y | 56.5 | Low | 57.8 | Low | 196 Ų | 196 | 122 Ų | 122 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | 4.9 | -176.5 | -67.3 | -74.7 | 0 | 0 | 0 | 115.2 | H31 | H31-Y33 PolarHBondContact O-N 2.98Š|
| 34 | S | 56.4 | Low | 57.5 | Low | 81 Ų | 81 | 124.6 Ų | 124.6 | 57% | 0.566 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -87.2 | -10.3 | -177.8 | -66.8 | 0 | 0 | 0 | 0 | 115.2 | H31 | H31-S34 PolarHBondContact O-N 3.14Š|
| 35 | T | 59.3 | Low | 57.1 | Low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -89.4 | -16.7 | 177.5 | -38.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 36 | G | 58 | Low | 57.1 | Low | 41 Ų | 41 | 125 Ų | 125 | 42% | 0.423 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -81.8 | -23.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | H40 | G36-H40 PolarHBondContact O-CD2 2.82Å; G36-H40 PolarHBondContact O-NE2 3.22Å |
| 37 | L | 59.9 | Low | 57 | Low | 136 Ų | 136 | 129.9 Ų | 129.9 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -93.8 | -15.6 | -170.9 | -66.6 | 178 | 0 | 0 | 0 | 114.8 | | |
| 38 | L | 60.1 | Low | 57.2 | Low | 135 Ų | 135 | 126 Ų | 126 | 71% | 0.707 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -84.4 | -16 | -178.3 | -65.7 | 178.2 | 0 | 0 | 0 | 113.8 | H40 | L38-H40 VanDerWaalsContact C-N 3.27Å; L38-H40 PolarHBondContact O-N 2.77Å |
| 39 | N | 55.7 | Low | 57.6 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -82.8 | -1.1 | 178.7 | -69.4 | -27.7 | 0 | 0 | 0 | 113.8 | | |
| 40 | H | 58.5 | Low | 57.6 | Low | 135 Ų | 135 | 132.1 Ų | 132.1 | 63% | 0.625 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -116.3 | 0.7 | -175.8 | -51.1 | -45 | 0 | 0 | 0 | 113.9 | G36 L38 H42 | G36-H40 PolarHBondContact O-CD2 2.82Å; G36-H40 PolarHBondContact O-NE2 3.22Å; L38-H40 VanDerWaalsContact C-N 3.27Å; L38-H40 PolarHBondContact O-N 2.77Å; H40-H42 PolarHBondContact O-N 2.88Å |
| 41 | L | 60.8 | Low | 57 | Low | 147 Ų | 147 | 129.9 Ų | 129.9 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -78.7 | 74.2 | 163 | -69.7 | 174.7 | 0 | 0 | 0 | 108.1 | | |
| 42 | H | 54.7 | Low | 56.8 | Low | 142 Ų | 142 | 127.9 Ų | 127.9 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | | | trans | -41.9 | 133.3 | 178.2 | -113.6 | -139.8 | 0 | 0 | 0 | 112.5 | H40 M44 | H40-H42 PolarHBondContact O-N 2.88Å; H42-M44 PolarHBondContact O-N 3Å |
| 43 | P | 57.8 | Low | 56.8 | Low | 123 Ų | 123 | 129.4 Ų | 129.4 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | | | trans | -75.6 | 77.2 | 165.1 | 32.6 | -30.8 | 0 | 0 | 0 | 109 | S45 | P43-S45 PolarHBondContact O-N 3.13Š|
| 44 | M | 56.2 | Low | 57.2 | Low | 167 Ų | 167 | 127.7 Ų | 127.7 | 82% | 0.823 | 71% | 0.712 | S | S | * | * | | | trans | -78.8 | 80.1 | 155.3 | -79.8 | -177.6 | -179.3 | 0 | 0 | 106.1 | H42 | H42-M44 PolarHBondContact O-N 3Š|
| 45 | S | 51.6 | Low | 57.4 | Low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | | 51.2 | 105.4 | 87.4 | -161.7 | 0 | 0 | 0 | 0 | 112.4 | P43 | P43-S45 PolarHBondContact O-N 3.13Š|
| 46 | A | 51.1 | Low | 57.2 | Low | 83 Ų | 83 | 129.1 Ų | 129.1 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | | | trans | 64.2 | 79.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 47 | Q | 55.1 | Low | 57 | Low | 193 Ų | 193 | 133.1 Ų | 133.1 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | | | trans | -125.9 | 70.7 | 134.2 | -68.7 | -177.8 | -22.4 | 0 | 0 | 107.7 | P49 | Q47-P49 VanDerWaalsContact O-CD 3.27Å; Q47-P49 WeakPolarHBondContact O-CD 3.42Å |
| 48 | Q | 61.4 | Low | 56.7 | Low | 153 Ų | 153 | 132.6 Ų | 132.6 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | | | trans | -54.1 | 118.5 | 161.8 | -173.2 | 162.1 | 9.4 | 0 | 0 | 106.4 | H50 | Q48-H50 VanDerWaalsContact C-N 3.27Å; Q48-H50 PolarHBondContact O-N 3.33Å |
| 49 | P | 64.2 | Low | 56.6 | Low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | | | trans | -63.3 | 101.2 | 171.9 | 24.5 | -30.2 | 0 | 0 | 0 | 106.5 | Q47 V51 | Q47-P49 VanDerWaalsContact O-CD 3.27Å; Q47-P49 WeakPolarHBondContact O-CD 3.42Å; P49-V51 PolarHBondContact O-N 3.21Å |
| 50 | H | 55.9 | Low | 56.8 | Low | 156 Ų | 156 | 131 Ų | 131 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | trans | -65.7 | 129.6 | 164.6 | -85 | -90.9 | 0 | 0 | 0 | 107 | Q48 | Q48-H50 VanDerWaalsContact C-N 3.27Å; Q48-H50 PolarHBondContact O-N 3.33Å |
| 51 | V | 45 | Very low | 56.9 | Low | 126 Ų | 126 | 134.3 Ų | 134.3 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | trans | 89.4 | 145.4 | 155.7 | -156.7 | 0 | 0 | 0 | 0 | 116.7 | P49 | P49-V51 PolarHBondContact O-N 3.21Š|
| 52 | P | 51.9 | Low | 56.5 | Low | 86 Ų | 86 | 137.6 Ų | 137.6 | 56% | 0.558 | 75% | 0.746 | S | S | * | * | | | cis | -114.3 | 153 | -30.5 | 26.1 | -9.2 | 0 | 0 | 0 | 111.2 | L54 | P52-L54 HydrophobicContact CG-CD2 4.18Å; P52-L54 HydrophobicContact CG-CG 4.39Å; P52-L54 PolarHBondContact O-N 3.14Å |
| 53 | L | 62.4 | Low | 56.5 | Low | 145 Ų | 145 | 134.4 Ų | 134.4 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | -52.2 | 88.3 | 157.9 | -175.2 | 68.9 | 0 | 0 | 0 | 109.3 | L55 | L53-L55 HydrophobicContact CD1-CD1 4.12Å; L53-L55 HydrophobicContact CD1-CG 4.03Å; L53-L55 HydrophobicContact CD2-CD1 3.38Å; L53-L55 HydrophobicContact CD2-CG 4.1Å; L53-L55 HydrophobicContact CG-CB 4.49Å; L53-L55 HydrophobicContact CG-CD1 3.58Å; L53-L55 HydrophobicContact CG-CG 3.68Å; L53-L55 PolarHBondContact O-N 2.89Å |
| 54 | L | 65.4 | Low | 56.7 | Low | 159 Ų | 159 | 138 Ų | 138 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | trans | -73.5 | 63.4 | 171.1 | -68.5 | 175 | 0 | 0 | 0 | 108.6 | P52 | P52-L54 HydrophobicContact CG-CD2 4.18Å; P52-L54 HydrophobicContact CG-CG 4.39Å; P52-L54 PolarHBondContact O-N 3.14Å |
| 55 | L | 60.5 | Low | 57.1 | Low | 126 Ų | 126 | 140.3 Ų | 140.3 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | | | trans | -68.5 | 133.8 | 160.3 | -78.2 | 166.1 | 0 | 0 | 0 | 107.7 | L53 | L53-L55 HydrophobicContact CD1-CD1 4.12Å; L53-L55 HydrophobicContact CD1-CG 4.03Å; L53-L55 HydrophobicContact CD2-CD1 3.38Å; L53-L55 HydrophobicContact CD2-CG 4.1Å; L53-L55 HydrophobicContact CG-CB 4.49Å; L53-L55 HydrophobicContact CG-CD1 3.58Å; L53-L55 HydrophobicContact CG-CG 3.68Å; L53-L55 PolarHBondContact O-N 2.89Å |
| 56 | S | 54.4 | Low | 58 | Low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | trans | 75.3 | 78.2 | 164 | -57.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 57 | V | 54.4 | Low | 58.8 | Low | 125 Ų | 125 | 147 Ų | 147 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | | | | -109.8 | 105.3 | 129.6 | -179.8 | 0 | 0 | 0 | 0 | 106.1 | S59 | V57-S59 PolarHBondContact O-N 3.3Š|
| 58 | D | 53.9 | Low | 59.6 | Low | 126 Ų | 126 | 142.2 Ų | 142.2 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | | | trans | -44.8 | 106.7 | 165.9 | -76.1 | -49 | 0 | 0 | 0 | 108.8 | T60 | D58-T60 PolarHBondContact O-N 3.35Š|
| 59 | S | 57.1 | Low | 60.1 | Low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -76.1 | 54.1 | 168.8 | 174.8 | 0 | 0 | 0 | 0 | 109 | V57 R61 | V57-S59 PolarHBondContact O-N 3.3Å; S59-R61 PolarHBondContact O-N 3.24Å |
| 60 | T | 60 | Low | 60.3 | Low | 122 Ų | 122 | 145.1 Ų | 145.1 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -79.2 | 54.3 | 158.7 | 44.6 | 0 | 0 | 0 | 0 | 108.6 | D58 | D58-T60 PolarHBondContact O-N 3.35Š|
| 61 | R | 60.6 | Low | 61.1 | Low | 203 Ų | 203 | 145.4 Ų | 145.4 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | trans | -120 | 88.2 | 171.7 | -75 | -159.5 | -87.4 | -171.2 | -5.1 | 110.9 | S59 | S59-R61 PolarHBondContact O-N 3.24Š|
| 62 | Y | 53.1 | Low | 62.2 | Low | 217 Ų | 217 | 147.6 Ų | 147.6 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | | | trans | 70.4 | 95.5 | 130.8 | -111.5 | -98.8 | 0 | 0 | 0 | 118.4 | | |
| 63 | S | 54.4 | Low | 62.8 | Low | 74 Ų | 74 | 148.9 Ų | 148.9 | 52% | 0.517 | 76% | 0.763 | S | S | . | * | | | | 34.4 | 103.7 | 118.6 | 172.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 64 | Q | 62.2 | Low | 63 | Low | 198 Ų | 198 | 148.1 Ų | 148.1 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | | | trans | -123.4 | 97 | 139.9 | -74.8 | -172.4 | 3.8 | 0 | 0 | 109.6 | R66 | Q64-R66 PolarHBondContact O-N 3.05Š|
| 65 | R | 63.7 | Low | 63 | Low | 217 Ų | 217 | 145.6 Ų | 145.6 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | | | trans | -50.5 | 125.5 | 170.2 | -60.3 | 175.2 | -175.9 | -172.4 | -1.1 | 109.1 | P67 | R65-P67 WeakPolarHBondContact O-CD 3.39Š|
| 66 | R | 71.8 | Confident | 63.3 | Low | 220 Ų | 220 | 144.9 Ų | 144.9 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | -64.6 | 123.8 | 157.8 | -173.2 | 178 | -174.3 | -176.4 | 2.9 | 106.5 | Q64 A68 | Q64-R66 PolarHBondContact O-N 3.05Å; R66-A68 PolarHBondContact O-N 2.84Å |
| 67 | P | 67.1 | Low | 63.8 | Low | 108 Ų | 108 | 147.2 Ų | 147.2 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -58.4 | 115.7 | 172.2 | -19.5 | 30.9 | 0 | 0 | 0 | 107.7 | R65 R69 | R65-P67 WeakPolarHBondContact O-CD 3.39Å; P67-R69 PolarHBondContact O-N 3.37Å |
| 68 | A | 72.7 | Confident | 64 | Low | 91 Ų | 91 | 152 Ų | 152 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -60.1 | 115 | 165.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | R66 T70 | R66-A68 PolarHBondContact O-N 2.84Å; A68-T70 VanDerWaalsContact C-N 3.33Å; A68-T70 PolarHBondContact O-N 2.96Å |
| 69 | R | 71.3 | Confident | 64.1 | Low | 228 Ų | 228 | 152.1 Ų | 152.1 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | | | trans | -61.9 | 102.4 | 177.7 | -64.1 | 174.6 | 99.1 | 146.8 | 4 | 105.9 | P67 L71 | P67-R69 PolarHBondContact O-N 3.37Å; R69-L71 PolarHBondContact O-N 3.45Å |
| 70 | T | 68.4 | Low | 64.3 | Low | 109 Ų | 109 | 158 Ų | 158 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | | | trans | -53.8 | 112.1 | 171 | -46.4 | 0 | 0 | 0 | 0 | 106.5 | A68 H72 | A68-T70 VanDerWaalsContact C-N 3.33Å; A68-T70 PolarHBondContact O-N 2.96Å; T70-H72 VanDerWaalsContact C-N 3.34Å; T70-H72 PolarHBondContact O-CD2 3.42Å; T70-H72 PolarHBondContact O-N 3.38Å |
| 71 | L | 72.8 | Confident | 64.3 | Low | 162 Ų | 162 | 159.6 Ų | 159.6 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -64.3 | 103.7 | 168.9 | -72.7 | 172.6 | 0 | 0 | 0 | 105.7 | R69 S73 | R69-L71 PolarHBondContact O-N 3.45Å; L71-S73 PolarHBondContact O-N 3.01Å |
| 72 | H | 67.7 | Low | 64.3 | Low | 172 Ų | 172 | 155.4 Ų | 155.4 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | | | trans | -63.3 | 102.5 | 171 | -69.2 | -78.4 | 0 | 0 | 0 | 107 | T70 T74 | T70-H72 VanDerWaalsContact C-N 3.34Å; T70-H72 PolarHBondContact O-CD2 3.42Å; T70-H72 PolarHBondContact O-N 3.38Å; H72-T74 PolarHBondContact O-N 2.92Å |
| 73 | S | 65.1 | Low | 64.7 | Low | 112 Ų | 112 | 154 Ų | 154 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -53.2 | 112.8 | 165 | -61.5 | 0 | 0 | 0 | 0 | 107.2 | L71 | L71-S73 PolarHBondContact O-N 3.01Š|
| 74 | T | 67.1 | Low | 64.9 | Low | 129 Ų | 129 | 158.5 Ų | 158.5 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -46.4 | 122.7 | 174.5 | -3.4 | 0 | 0 | 0 | 0 | 108.2 | H72 S76 | H72-T74 PolarHBondContact O-N 2.92Å; T74-S76 PolarHBondContact O-N 3.07Å |
| 75 | P | 64.7 | Low | 64.7 | Low | 106 Ų | 106 | 153.2 Ų | 153.2 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | | | trans | -58.2 | 119.4 | 171.9 | 22.5 | -29.5 | 0 | 0 | 0 | 106.4 | L77 | P75-L77 VanDerWaalsContact C-N 3.34Å; P75-L77 PolarHBondContact O-N 2.87Å |
| 76 | S | 67.3 | Low | 64.5 | Low | 111 Ų | 111 | 147.8 Ų | 147.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -52.2 | 106.2 | 172.9 | -174.5 | 0 | 0 | 0 | 0 | 106.4 | T74 R78 | T74-S76 PolarHBondContact O-N 3.07Å; S76-R78 PolarHBondContact O-N 2.85Å |
| 77 | L | 64.2 | Low | 63.8 | Low | 153 Ų | 153 | 143.3 Ų | 143.3 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | | | trans | -63.8 | 88 | 175.3 | -73.2 | 169.7 | 0 | 0 | 0 | 105.2 | P75 T79 | P75-L77 VanDerWaalsContact C-N 3.34Å; P75-L77 PolarHBondContact O-N 2.87Å; L77-T79 PolarHBondContact O-N 3.01Å |
| 78 | R | 59.4 | Low | 63.3 | Low | 226 Ų | 226 | 146 Ų | 146 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -64.4 | 88.4 | 158.9 | -80.4 | -169.4 | 168.1 | -169.4 | -2.3 | 105.1 | S76 R80 | S76-R78 PolarHBondContact O-N 2.85Å; R78-R80 PolarHBondContact O-N 2.94Å |
| 79 | T | 56.6 | Low | 62.1 | Low | 128 Ų | 128 | 150.1 Ų | 150.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -49.9 | 88.4 | 157.6 | 19.2 | 0 | 0 | 0 | 0 | 106.6 | L77 L81 | L77-T79 PolarHBondContact O-N 3.01Å; T79-L81 PolarHBondContact O-N 2.95Å |
| 80 | R | 59.4 | Low | 60.8 | Low | 233 Ų | 233 | 145 Ų | 145 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -62.8 | 103.1 | 155.4 | -74.6 | -165.8 | -85.4 | -141.9 | -1.1 | 104.1 | R78 P82 | R78-R80 PolarHBondContact O-N 2.94Å; R80-P82 VanDerWaalsContact O-N 3.17Å |
| 81 | L | 61.6 | Low | 60 | Low | 155 Ų | 155 | 150.6 Ų | 150.6 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | -39.2 | 121.6 | 174.1 | -123.8 | 128.1 | 0 | 0 | 0 | 107.7 | T79 Q83 | T79-L81 PolarHBondContact O-N 2.95Å; L81-Q83 PolarHBondContact O-N 2.94Å |
| 82 | P | 59.5 | Low | 58.7 | Low | 115 Ų | 115 | 149.1 Ų | 149.1 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | | | trans | -60.3 | 110.4 | 175.1 | 22.8 | -29.5 | 0 | 0 | 0 | 106.7 | R80 L84 | R80-P82 VanDerWaalsContact O-N 3.17Å; P82-L84 PolarHBondContact O-N 2.76Å |
| 83 | Q | 61.6 | Low | 57.9 | Low | 187 Ų | 187 | 152.7 Ų | 152.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -49.7 | 122.9 | 175.7 | -173.6 | 169.1 | 4.7 | 0 | 0 | 107.8 | L81 A85 | L81-Q83 PolarHBondContact O-N 2.94Å; Q83-A85 PolarHBondContact O-N 3.43Å; Q83-A85 VanDerWaalsContact O-N 3.1Å |
| 84 | L | 58.7 | Low | 57.3 | Low | 168 Ų | 168 | 153 Ų | 153 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | | | trans | -37.9 | 116.2 | -174.2 | -71.9 | 159.1 | 0 | 0 | 0 | 110.7 | P82 | P82-L84 PolarHBondContact O-N 2.76Š|
| 85 | A | 58.6 | Low | 56.7 | Low | 87 Ų | 87 | 157.7 Ų | 157.7 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | -54.3 | 133.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q83 | Q83-A85 PolarHBondContact O-N 3.43Å; Q83-A85 VanDerWaalsContact O-N 3.1Å |
| 86 | P | 58.2 | Low | 56.3 | Low | 103 Ų | 103 | 164.2 Ų | 164.2 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | | | trans | -59 | 135.2 | 173.9 | -19.8 | 30.4 | 0 | 0 | 0 | 109.5 | L88 | P86-L88 VanDerWaalsContact C-N 3.31Å; P86-L88 PolarHBondContact O-N 3Å |
| 87 | P | 57.8 | Low | 55.6 | Low | 127 Ų | 127 | 164.3 Ų | 164.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -67.2 | 93.1 | 175.1 | 26.8 | -32.1 | 0 | 0 | 0 | 108.9 | Q89 | P87-Q89 PolarHBondContact O-N 2.79Å; P87-Q89 VanDerWaalsContact O-N 3.11Å |
| 88 | L | 56.5 | Low | 55.4 | Low | 164 Ų | 164 | 160.7 Ų | 160.7 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -75.5 | 104.9 | 173.2 | -73.3 | 176.9 | 0 | 0 | 0 | 108.7 | P86 T90 | P86-L88 VanDerWaalsContact C-N 3.31Å; P86-L88 PolarHBondContact O-N 3Å; L88-T90 PolarHBondContact O-N 2.93Å |
| 89 | Q | 47.5 | Very low | 55.4 | Low | 178 Ų | 178 | 155 Ų | 155 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -40.6 | 124.2 | 173.1 | -76.4 | 171 | -49.1 | 0 | 0 | 112.9 | P87 | P87-Q89 PolarHBondContact O-N 2.79Å; P87-Q89 VanDerWaalsContact O-N 3.11Å |
| 90 | T | 44.3 | Very low | 55.6 | Low | 119 Ų | 119 | 156.3 Ų | 156.3 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | | 47.4 | 121.8 | 124.4 | -19.3 | 0 | 0 | 0 | 0 | 118.4 | L88 | L88-T90 PolarHBondContact O-N 2.93Š|
| 91 | R | 50.6 | Low | 55.6 | Low | 228 Ų | 228 | 153 Ų | 153 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | | 101.1 | 102 | 128.6 | -138.8 | 162 | 176.3 | 172.2 | -2.3 | 115.8 | | |
| 92 | N | 47.3 | Very low | 55.5 | Low | 130 Ų | 130 | 151.6 Ų | 151.6 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | trans | 81.4 | 73 | 135 | -155.9 | 13.2 | 0 | 0 | 0 | 116.5 | | |
| 93 | R | 50.2 | Low | 55.4 | Low | 248 Ų | 248 | 153.9 Ų | 153.9 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | | | trans | -104 | 99.9 | 143.2 | -99.9 | -176.6 | -179.6 | -162.6 | 1.5 | 108.4 | R95 | R93-R95 PolarHBondContact O-N 2.82Å; R93-R95 VanDerWaalsContact O-N 3.1Å |
| 94 | V | 51.5 | Low | 55 | Low | 117 Ų | 117 | 151 Ų | 151 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | | | trans | -32.7 | 113.6 | 164.3 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | R96 | V94-R96 PolarHBondContact O-N 3Š|
| 95 | R | 54.4 | Low | 54.5 | Low | 228 Ų | 228 | 146.1 Ų | 146.1 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -59.4 | 104.4 | 176.2 | -70.8 | -178.8 | 171.1 | -162.2 | -2.5 | 107.5 | R93 T97 | R93-R95 PolarHBondContact O-N 2.82Å; R93-R95 VanDerWaalsContact O-N 3.1Å; R95-T97 PolarHBondContact O-N 2.91Å |
| 96 | R | 57.4 | Low | 53.8 | Low | 244 Ų | 244 | 146.9 Ų | 146.9 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | trans | -69.9 | 90.2 | 162.2 | -72.1 | -177.3 | 176.2 | 177.8 | -2.2 | 106.1 | V94 A98 | V94-R96 PolarHBondContact O-N 3Å; R96-A98 PolarHBondContact O-N 2.73Å |
| 97 | T | 53.5 | Low | 53.5 | Low | 113 Ų | 113 | 148.5 Ų | 148.5 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | | | trans | -60.4 | 107.9 | 167.7 | -59 | 0 | 0 | 0 | 0 | 106.7 | R95 | R95-T97 PolarHBondContact O-N 2.91Š|
| 98 | A | 58.8 | Low | 53.2 | Low | 76 Ų | 76 | 149.5 Ų | 149.5 | 63% | 0.628 | 77% | 0.768 | S | S | * | * | | | trans | -65.4 | 124.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | R96 F100 | R96-A98 PolarHBondContact O-N 2.73Å; A98-F100 PolarHBondContact O-N 2.78Å |
| 99 | P | 58.6 | Low | 52.8 | Low | 108 Ų | 108 | 150.6 Ų | 150.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -64.6 | 106.2 | 169.9 | 26.9 | -30.1 | 0 | 0 | 0 | 106.1 | L101 | P99-L101 VanDerWaalsContact C-N 3.31Å; P99-L101 PolarHBondContact O-N 3.05Å |
| 100 | F | 61.1 | Low | 52.6 | Low | 155 Ų | 155 | 148 Ų | 148 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | trans | -56 | 105.7 | 160.4 | 41.1 | -83.8 | 0 | 0 | 0 | 104.9 | A98 L102 | A98-F100 PolarHBondContact O-N 2.78Å; F100-L102 HydrophobicContact CD2-CD1 3.7Å; F100-L102 HydrophobicContact CE2-CD1 3.57Å; F100-L102 PolarHBondContact O-N 2.95Å |
| 101 | L | 60.3 | Low | 52.6 | Low | 162 Ų | 162 | 145.5 Ų | 145.5 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | trans | -60.2 | 97.1 | 169.9 | -68.9 | 169.7 | 0 | 0 | 0 | 105.1 | P99 L103 | P99-L101 VanDerWaalsContact C-N 3.31Å; P99-L101 PolarHBondContact O-N 3.05Å; L101-L103 PolarHBondContact O-N 2.96Å |
| 102 | L | 58.9 | Low | 52.3 | Low | 126 Ų | 126 | 143.5 Ų | 143.5 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | trans | -51 | 110.7 | 170.9 | -109.5 | 107.4 | 0 | 0 | 0 | 105.8 | F100 V104 | F100-L102 HydrophobicContact CD2-CD1 3.7Å; F100-L102 HydrophobicContact CE2-CD1 3.57Å; F100-L102 PolarHBondContact O-N 2.95Å; L102-V104 HydrophobicContact CB-CG2 4.19Å; L102-V104 HydrophobicContact CD2-CG2 3.81Å; L102-V104 PolarHBondContact O-N 2.77Å |
| 103 | L | 57.1 | Low | 52.2 | Low | 164 Ų | 164 | 145.5 Ų | 145.5 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | trans | -68.5 | 66.5 | 173.6 | -163 | 76.3 | 0 | 0 | 0 | 108 | L101 | L101-L103 PolarHBondContact O-N 2.96Š|
| 104 | V | 53.4 | Low | 51.7 | Low | 126 Ų | 126 | 140 Ų | 140 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | -96.7 | 88.1 | 171.6 | 172.2 | 0 | 0 | 0 | 0 | 105.8 | L102 | L102-V104 HydrophobicContact CB-CG2 4.19Å; L102-V104 HydrophobicContact CD2-CG2 3.81Å; L102-V104 PolarHBondContact O-N 2.77Å |
| 105 | G | 48.4 | Very low | 51.5 | Low | 65 Ų | 65 | 141.1 Ų | 141.1 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | | | trans | 171 | 43 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D107 | G105-D107 PolarHBondContact O-N 3.1Š|
| 106 | S | 45.2 | Very low | 50.9 | Low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | -73.3 | 70.6 | 166.5 | -55.8 | 0 | 0 | 0 | 0 | 108.9 | I108 | S106-I108 PolarHBondContact O-N 2.94Š|
| 107 | D | 50.9 | Low | 50.4 | Low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | -94.6 | 79.1 | 165.1 | -143 | 2 | 0 | 0 | 0 | 106.9 | G105 K109 | G105-D107 PolarHBondContact O-N 3.1Å; D107-K109 PolarHBondContact O-N 2.89Å |
| 108 | I | 52.2 | Low | 50.1 | Low | 148 Ų | 148 | 134.8 Ų | 134.8 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | -71.3 | 74.4 | 173.8 | 43.4 | 164.1 | 0 | 0 | 0 | 108.9 | S106 C110 | S106-I108 PolarHBondContact O-N 2.94Å; I108-C110 VanDerWaalsContact C-N 3.25Å; I108-C110 PolarHBondContact O-N 2.82Å |
| 109 | K | 47.9 | Very low | 49.4 | Very low | 187 Ų | 187 | 138.1 Ų | 138.1 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -72.6 | 88.6 | 162.5 | -87.5 | -175.3 | 173.1 | -177.5 | 0 | 108.8 | D107 G111 | D107-K109 PolarHBondContact O-N 2.89Å; K109-G111 PolarHBondContact O-N 3.2Å |
| 110 | C | 43.6 | Very low | 49.1 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -64 | 121 | 159.2 | -71.6 | 0 | 0 | 0 | 0 | 108.8 | I108 | I108-C110 VanDerWaalsContact C-N 3.25Å; I108-C110 PolarHBondContact O-N 2.82Å |
| 111 | G | 42.5 | Very low | 48.6 | Very low | 66 Ų | 66 | 142.6 Ų | 142.6 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | trans | 131.8 | 94.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K109 | K109-G111 PolarHBondContact O-N 3.2Š|
| 112 | E | 46.1 | Very low | 48 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | | -158.4 | 99.9 | 121 | -140.6 | 156.2 | 145.5 | 0 | 0 | 107.7 | | |
| 113 | Q | 43.5 | Very low | 47.5 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | -50.3 | 138.7 | 146.8 | -83.8 | 168.1 | -7.1 | 0 | 0 | 106.9 | | |
| 114 | N | 41.4 | Very low | 46.8 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 153.1 | 116.8 | 137.4 | -69.6 | -26.2 | 0 | 0 | 0 | 110.9 | | |
| 115 | T | 47.5 | Very low | 46.6 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | 150.4 | 89.3 | 143.7 | 46.4 | 0 | 0 | 0 | 0 | 105.5 | | |
| 116 | G | 41.1 | Very low | 46.4 | Very low | 60 Ų | 60 | 150.3 Ų | 150.3 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | | | | 53.5 | 95.3 | 65.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 117 | W | 47.4 | Very low | 46.3 | Very low | 241 Ų | 241 | 155.7 Ų | 155.7 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | | | | -164.9 | 14.6 | 85.7 | -88.6 | 94.7 | 0 | 0 | 0 | 115.4 | | |
| 118 | D | 46.5 | Very low | 46 | Very low | 151 Ų | 151 | 160.6 Ų | 160.6 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -120 | 8.9 | -165.7 | -88.6 | -8.9 | 0 | 0 | 0 | 119.5 | | |
| 119 | N | 44.6 | Very low | 45.5 | Very low | 147 Ų | 147 | 161.6 Ų | 161.6 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | trans | -132.3 | 24.5 | 177.2 | -81.5 | -58.1 | 0 | 0 | 0 | 115.6 | M121 | N119-M121 PolarHBondContact O-N 3.1Š|
| 120 | Q | 52.4 | Low | 45.1 | Very low | 170 Ų | 170 | 157.6 Ų | 157.6 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -69.6 | -4 | 167.9 | -136.5 | -173.7 | 39.6 | 0 | 0 | 113.2 | Y122 | Q120-Y122 VanDerWaalsContact C-N 3.27Å; Q120-Y122 PolarHBondContact O-N 3.4Å |
| 121 | M | 49.5 | Very low | 45 | Very low | 186 Ų | 186 | 164 Ų | 164 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | G | 310 helix | trans | -72.4 | -19 | -178.6 | -152.6 | 178 | -169.1 | 0 | 0 | 113.5 | N119 | N119-M121 PolarHBondContact O-N 3.1Š|
| 122 | Y | 48.7 | Very low | 45.1 | Very low | 207 Ų | 207 | 169 Ų | 169 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | G | 310 helix | trans | -96.5 | -12 | -176.2 | -117.6 | -90.7 | 0 | 0 | 0 | 115.2 | Q120 | Q120-Y122 VanDerWaalsContact C-N 3.27Å; Q120-Y122 PolarHBondContact O-N 3.4Å |
| 123 | F | 47.9 | Very low | 45 | Very low | 178 Ų | 178 | 168.1 Ų | 168.1 | 78% | 0.781 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -140.3 | 64.7 | -173.3 | -78.8 | -80 | 0 | 0 | 0 | 112.9 | | |
| 124 | S | 43.3 | Very low | 45.1 | Very low | 78 Ų | 78 | 167.8 Ų | 167.8 | 55% | 0.545 | 82% | 0.818 | S | S | . | * | | | trans | -176.8 | 81.2 | 141 | -94.4 | 0 | 0 | 0 | 0 | 111.8 | N126 | S124-N126 PolarHBondContact O-N 3.11Š|
| 125 | K | 47.2 | Very low | 45.3 | Very low | 212 Ų | 212 | 169.9 Ų | 169.9 | 92% | 0.922 | 83% | 0.825 | S | S | * | * | | | trans | -68.1 | 33.1 | 155.3 | -73.3 | 179.3 | 170.7 | 176.3 | 0 | 112.6 | | |
| 126 | N | 45.4 | Very low | 45.2 | Very low | 130 Ų | 130 | 171.8 Ų | 171.8 | 70% | 0.695 | 82% | 0.823 | S | S | * | * | | | trans | -136.3 | 33.7 | -166.3 | -69.4 | -48.6 | 0 | 0 | 0 | 116.1 | S124 | S124-N126 PolarHBondContact O-N 3.11Š|
| 127 | Y | 43.9 | Very low | 45.5 | Very low | 217 Ų | 217 | 179.3 Ų | 179.3 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | | | trans | -119.6 | 66.9 | 159.7 | -69.9 | -79.1 | 0 | 0 | 0 | 110.5 | | |
| 128 | R | 42.8 | Very low | 45.3 | Very low | 240 Ų | 240 | 174.9 Ų | 174.9 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | | | trans | -96.3 | 100.3 | 148 | -98.1 | -170.7 | 172 | -159.6 | -1.4 | 106.4 | | |
| 129 | L | 42 | Very low | 45.2 | Very low | 170 Ų | 170 | 176.7 Ų | 176.7 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | | | trans | -176.5 | 147.5 | 148 | -130 | 76.8 | 0 | 0 | 0 | 112.1 | | |
| 130 | S | 40.6 | Very low | 45.3 | Very low | 103 Ų | 103 | 179.2 Ų | 179.2 | 72% | 0.72 | 84% | 0.837 | S | S | * | * | | | trans | 76.6 | 119.7 | 174.7 | -96.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 131 | Q | 39.8 | Very low | 44.6 | Very low | 259 Ų | 259 | 180 Ų | 180 | 100% | 1.21 | 84% | 0.841 | S | S | * | * | | | cis | -149.3 | 0 | -0.7 | -71.4 | -163.4 | 18.4 | 0 | 0 | 108.3 | | |