| 1 | M | 39.3 | Very low | 57.6 | Low | 252 Ų | 252 | 110.7 Ų | 110.7 | 100% | 1.241 | 70% | 0.703 | S | S | * | * | | | | 0 | 124 | 0 | -70.5 | -148.9 | 151.9 | 0 | 0 | 107.9 | | |
| 2 | A | 50.4 | Low | 58.1 | Low | 98 Ų | 98 | 106.8 Ų | 106.8 | 81% | 0.81 | 69% | 0.688 | S | S | * | * | | | trans | -104.5 | 122.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 3 | A | 56.2 | Low | 58 | Low | 104 Ų | 104 | 109.9 Ų | 109.9 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | | | trans | -80.6 | 133.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 4 | I | 57.2 | Low | 58.3 | Low | 89 Ų | 89 | 112.5 Ų | 112.5 | 46% | 0.456 | 70% | 0.703 | S | S | . | * | | | trans | -105.2 | 127 | 174.5 | -50.1 | 166 | 0 | 0 | 0 | 106.6 | S6 L10 | I4-S6 PolarHBondContact O-N 3.39Å; I4-L10 HydrophobicContact CB-CD2 4.25Å; I4-L10 HydrophobicContact CD1-CD1 3.47Å; I4-L10 VanDerWaalsContact CD1-CD1 3.47Å; I4-L10 HydrophobicContact CD1-CD2 3.59Å; I4-L10 HydrophobicContact CD1-CG 3.75Å; I4-L10 HydrophobicContact CG1-CD2 3.74Å; I4-L10 HydrophobicContact CG1-CG 4.41Å; I4-L10 HydrophobicContact CG2-CD2 3.49Å; I4-L10 VanDerWaalsContact CG2-CD2 3.49Å; I4-L10 HydrophobicContact CG2-CG 4.04Å |
| 5 | P | 58.8 | Low | 58.3 | Low | 94 Ų | 94 | 110 Ų | 110 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | | | trans | -63 | 127.8 | 175.9 | 25.2 | -31.2 | 0 | 0 | 0 | 109.5 | T7 G8 | P5-T7 PolarHBondContact O-N 2.99Å; P5-G8 PolarHBondContact O-N 3.15Å |
| 6 | S | 61.3 | Low | 58.3 | Low | 132 Ų | 132 | 110.8 Ų | 110.8 | 92% | 0.923 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 6 | -173.8 | -69.9 | 0 | 0 | 0 | 0 | 116.2 | I4 | I4-S6 PolarHBondContact O-N 3.39Š|
| 7 | T | 59.4 | Low | 58.4 | Low | 143 Ų | 143 | 114.2 Ų | 114.2 | 88% | 0.877 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 10.5 | -176.2 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | P5 | P5-T7 PolarHBondContact O-N 2.99Š|
| 8 | G | 60.9 | Low | 58.5 | Low | 44 Ų | 44 | 119.4 Ų | 119.4 | 45% | 0.454 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -141.4 | 126.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P5 L10 | P5-G8 PolarHBondContact O-N 3.15Å; G8-L10 PolarHBondContact O-N 2.81Å |
| 9 | S | 63.1 | Low | 58.6 | Low | 80 Ų | 80 | 119.1 Ų | 119.1 | 56% | 0.559 | 66% | 0.663 | S | S | * | * | | | trans | -52.3 | 131.1 | 175.9 | 157.5 | 0 | 0 | 0 | 0 | 111.8 | I11 R19 | S9-I11 WeakPolarHBondContact O-CG1 3.46Å; S9-I11 PolarHBondContact O-N 3.36Å; S9-I11 VanDerWaalsContact O-N 3.08Å; S9-R19 PolarHBondContact OG-NH1 3.49Å |
| 10 | L | 62.2 | Low | 58.7 | Low | 128 Ų | 128 | 121 Ų | 121 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | | | trans | -63.6 | 107.9 | 167.3 | -72 | -177.6 | 0 | 0 | 0 | 109.1 | I4 G8 | I4-L10 HydrophobicContact CB-CD2 4.25Å; I4-L10 HydrophobicContact CD1-CD1 3.47Å; I4-L10 VanDerWaalsContact CD1-CD1 3.47Å; I4-L10 HydrophobicContact CD1-CD2 3.59Å; I4-L10 HydrophobicContact CD1-CG 3.75Å; I4-L10 HydrophobicContact CG1-CD2 3.74Å; I4-L10 HydrophobicContact CG1-CG 4.41Å; I4-L10 HydrophobicContact CG2-CD2 3.49Å; I4-L10 VanDerWaalsContact CG2-CD2 3.49Å; I4-L10 HydrophobicContact CG2-CG 4.04Å; G8-L10 PolarHBondContact O-N 2.81Å |
| 11 | I | 64.9 | Low | 58.8 | Low | 54 Ų | 54 | 122 Ų | 122 | 28% | 0.277 | 66% | 0.663 | S | S | . | * | | | trans | -101.3 | 112.8 | 177.1 | -67.9 | 173.9 | 0 | 0 | 0 | 106.1 | S9 D15 | S9-I11 WeakPolarHBondContact O-CG1 3.46Å; S9-I11 PolarHBondContact O-N 3.36Å; S9-I11 VanDerWaalsContact O-N 3.08Å; I11-D15 HydrophobicContact CB-CB 4.44Å; I11-D15 HydrophobicContact CG2-CB 3.38Å |
| 12 | A | 63.1 | Low | 59.7 | Low | 63 Ų | 63 | 112.7 Ų | 112.7 | 52% | 0.521 | 63% | 0.632 | S | S | . | * | | | trans | -57.5 | 148.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | H14 D15 | A12-H14 CarbonylContact O-C 3.59Å; A12-H14 PolarHBondContact O-N 3.03Å; A12-D15 PolarHBondContact O-N 3.24Å |
| 13 | T | 57.7 | Low | 59.9 | Low | 148 Ų | 148 | 112.3 Ų | 112.3 | 91% | 0.908 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.7 | -21.2 | -171.9 | 43.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 14 | H | 61.1 | Low | 59.7 | Low | 146 Ų | 146 | 113 Ų | 113 | 68% | 0.676 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -33.3 | 173.2 | -164.6 | -37.3 | 0 | 0 | 0 | 114.1 | A12 Y16 | A12-H14 CarbonylContact O-C 3.59Å; A12-H14 PolarHBondContact O-N 3.03Å; H14-Y16 PolarHBondContact O-N 2.84Å |
| 15 | D | 58.9 | Low | 59.7 | Low | 75 Ų | 75 | 114 Ų | 114 | 40% | 0.401 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -83.8 | -10.2 | -170.4 | -71.3 | -42.1 | 0 | 0 | 0 | 113.6 | I11 A12 R19 | I11-D15 HydrophobicContact CB-CB 4.44Å; I11-D15 HydrophobicContact CG2-CB 3.38Å; A12-D15 PolarHBondContact O-N 3.24Å; D15-R19 PolarHBondContact O-N 3.18Å |
| 16 | Y | 58.9 | Low | 59.3 | Low | 122 Ų | 122 | 115.8 Ų | 115.8 | 48% | 0.478 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.3 | -34.6 | -177 | -177.4 | -115.7 | 0 | 0 | 0 | 112.7 | H14 R20 | H14-Y16 PolarHBondContact O-N 2.84Å; Y16-R20 VanDerWaalsContact CZ-CZ 3.47Å; Y16-R20 VanDerWaalsContact OH-CZ 3.25Å; Y16-R20 PolarHBondContact OH-NH1 2.71Å |
| 17 | Y | 59.1 | Low | 59 | Low | 169 Ų | 169 | 115.8 Ų | 115.8 | 66% | 0.663 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.2 | -37.6 | 179.1 | -133.4 | -86.2 | 0 | 0 | 0 | 111.9 | R19 I21 | Y17-R19 VanDerWaalsContact C-N 3.34Å; Y17-R19 PolarHBondContact O-N 3.28Å; Y17-I21 HydrophobicContact CD1-CD1 4.42Å; Y17-I21 HydrophobicContact CE1-CD1 4.28Å |
| 18 | R | 61 | Low | 59 | Low | 209 Ų | 209 | 114.2 Ų | 114.2 | 79% | 0.789 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.4 | -35.5 | 176.6 | -82.7 | -140.5 | 153 | -116.1 | -3.2 | 112.9 | | |
| 19 | R | 60.2 | Low | 58.8 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 43% | 0.426 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -76.7 | -27.5 | -177.7 | -154.4 | 170 | -62.3 | -179.8 | 2.5 | 113.5 | S9 D15 Y17 S23 | S9-R19 PolarHBondContact OG-NH1 3.49Å; D15-R19 PolarHBondContact O-N 3.18Å; Y17-R19 VanDerWaalsContact C-N 3.34Å; Y17-R19 PolarHBondContact O-N 3.28Å; R19-S23 PolarHBondContact O-OG 2.82Å |
| 20 | R | 61.3 | Low | 58.6 | Low | 156 Ų | 156 | 120 Ų | 120 | 59% | 0.589 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -77 | -25.2 | -178.1 | -93 | -160.2 | -68.6 | -172.1 | 5.4 | 115.6 | Y16 | Y16-R20 VanDerWaalsContact CZ-CZ 3.47Å; Y16-R20 VanDerWaalsContact OH-CZ 3.25Å; Y16-R20 PolarHBondContact OH-NH1 2.71Å |
| 21 | I | 60.7 | Low | 58.5 | Low | 143 Ų | 143 | 117 Ų | 117 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -92.6 | -16.6 | -178.5 | -50.7 | -166 | 0 | 0 | 0 | 112.5 | Y17 | Y17-I21 HydrophobicContact CD1-CD1 4.42Å; Y17-I21 HydrophobicContact CE1-CD1 4.28Å |
| 22 | G | 57.2 | Low | 58.1 | Low | 57 Ų | 57 | 120.5 Ų | 120.5 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | | | trans | -117.3 | 23.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T24 | G22-T24 PolarHBondContact O-N 3.46Š|
| 23 | S | 54.9 | Low | 58 | Low | 90 Ų | 90 | 121.9 Ų | 121.9 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | | | trans | -84.5 | 65.8 | 176.6 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | R19 | R19-S23 PolarHBondContact O-OG 2.82Š|
| 24 | T | 52.2 | Low | 58.2 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -137.9 | 118.9 | 158.5 | 53.5 | 0 | 0 | 0 | 0 | 108.6 | G22 | G22-T24 PolarHBondContact O-N 3.46Š|
| 25 | S | 56.6 | Low | 57.7 | Low | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | | | trans | 53.2 | 102.3 | 158.7 | 58.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 26 | S | 49.8 | Very low | 58.1 | Low | 131 Ų | 131 | 127 Ų | 127 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | | | trans | -110.8 | 90.9 | 150 | -69 | 0 | 0 | 0 | 0 | 109.4 | | |
| 27 | N | 56.2 | Low | 58.4 | Low | 131 Ų | 131 | 123 Ų | 123 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | | | trans | -16.3 | 131.8 | 152.2 | -147.8 | 52.6 | 0 | 0 | 0 | 114.2 | S29 | N27-S29 PolarHBondContact O-N 2.62Å; N27-S29 VanDerWaalsContact O-N 3.14Å |
| 28 | S | 60 | Low | 58.4 | Low | 111 Ų | 111 | 122.6 Ų | 122.6 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | | | trans | -57.7 | 112 | 159.2 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 29 | S | 55.3 | Low | 58.3 | Low | 106 Ų | 106 | 119.4 Ų | 119.4 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | | | trans | -102.6 | 89.4 | 168.2 | -67.3 | 0 | 0 | 0 | 0 | 109.1 | N27 G31 | N27-S29 PolarHBondContact O-N 2.62Å; N27-S29 VanDerWaalsContact O-N 3.14Å; S29-G31 PolarHBondContact O-N 3.42Å |
| 30 | C | 59.4 | Low | 58.5 | Low | 140 Ų | 140 | 118.9 Ų | 118.9 | 95% | 0.946 | 73% | 0.728 | S | S | * | * | | | trans | -68.8 | 109.9 | 151 | -179 | 0 | 0 | 0 | 0 | 106.3 | | |
| 31 | G | 61 | Low | 58.7 | Low | 64 Ų | 64 | 117 Ų | 117 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | | | trans | 160.6 | 60.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S29 S33 | S29-G31 PolarHBondContact O-N 3.42Å; G31-S33 PolarHBondContact O-N 3.05Å |
| 32 | S | 56 | Low | 58.4 | Low | 128 Ų | 128 | 117.2 Ų | 117.2 | 90% | 0.895 | 73% | 0.733 | S | S | * | * | | | trans | -85.6 | 100.1 | 154.3 | -68.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 33 | S | 61.2 | Low | 58.9 | Low | 91 Ų | 91 | 118.8 Ų | 118.8 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | trans | -45.7 | 144.3 | 170.5 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | G31 Y35 | G31-S33 PolarHBondContact O-N 3.05Å; S33-Y35 PolarHBondContact O-N 3.43Å |
| 34 | E | 60.9 | Low | 59.1 | Low | 181 Ų | 181 | 121.3 Ų | 121.3 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | | | trans | -45.8 | 95.9 | 168.4 | -54 | 77.3 | -169.6 | 0 | 0 | 110.2 | A36 | E34-A36 PolarHBondContact O-N 3.33Š|
| 35 | Y | 50.8 | Low | 59.4 | Low | 194 Ų | 194 | 119.1 Ų | 119.1 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | trans | -76.1 | 91.1 | 171.7 | -176.2 | -101 | 0 | 0 | 0 | 109 | S33 G37 | S33-Y35 PolarHBondContact O-N 3.43Å; Y35-G37 VanDerWaalsContact CE1-C 3.49Å; Y35-G37 WeakPolarHBondContact CE1-O 3.39Å; Y35-G37 PolarHBondContact OH-O 2.95Å |
| 36 | A | 66.9 | Low | 59.5 | Low | 103 Ų | 103 | 120.8 Ų | 120.8 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | | | trans | -85.6 | 94.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | E34 | E34-A36 PolarHBondContact O-N 3.33Š|
| 37 | G | 66.5 | Low | 59.9 | Low | 37 Ų | 37 | 122 Ų | 122 | 38% | 0.381 | 74% | 0.739 | S | S | . | * | | | trans | 168 | 56.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | Y35 | Y35-G37 VanDerWaalsContact CE1-C 3.49Å; Y35-G37 WeakPolarHBondContact CE1-O 3.39Å; Y35-G37 PolarHBondContact OH-O 2.95Å |
| 38 | E | 57.8 | Low | 60 | Low | 161 Ų | 161 | 126.5 Ų | 126.5 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | trans | -167.9 | 96.4 | 131.1 | -108.5 | -174.1 | -178.9 | 0 | 0 | 107.8 | I40 | E38-I40 VanDerWaalsContact C-N 3.27Å; E38-I40 PolarHBondContact O-N 3.11Å; E38-I40 VanDerWaalsContact O-N 3.07Å |
| 39 | V | 59.5 | Low | 60.1 | Low | 142 Ų | 142 | 128.3 Ų | 128.3 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | | | trans | -79.1 | 85.8 | 169.5 | 174.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 40 | I | 64 | Low | 60.2 | Low | 101 Ų | 101 | 128.5 Ų | 128.5 | 52% | 0.518 | 74% | 0.735 | S | S | . | * | | | trans | -67.2 | 130.6 | 154.2 | -58.6 | 173.9 | 0 | 0 | 0 | 105 | E38 H42 | E38-I40 VanDerWaalsContact C-N 3.27Å; E38-I40 PolarHBondContact O-N 3.11Å; E38-I40 VanDerWaalsContact O-N 3.07Å; I40-H42 VanDerWaalsContact C-N 3.28Å; I40-H42 PolarHBondContact O-CD2 3.09Å; I40-H42 PolarHBondContact O-N 2.66Å |
| 41 | P | 65.3 | Low | 60.3 | Low | 116 Ų | 116 | 127.2 Ų | 127.2 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | | | trans | -58.2 | 96.4 | 171.6 | -21.2 | 31.9 | 0 | 0 | 0 | 108.6 | P43 | P41-P43 VanDerWaalsContact O-CD 3.29Å; P41-P43 WeakPolarHBondContact O-CD 3.39Å |
| 42 | H | 55.5 | Low | 60.5 | Low | 149 Ų | 149 | 126.2 Ų | 126.2 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | | | trans | -71.4 | 118.2 | -178.8 | -76.2 | -78.7 | 0 | 0 | 0 | 107.3 | I40 | I40-H42 VanDerWaalsContact C-N 3.28Å; I40-H42 PolarHBondContact O-CD2 3.09Å; I40-H42 PolarHBondContact O-N 2.66Å |
| 43 | P | 66.4 | Low | 61.2 | Low | 89 Ų | 89 | 125.1 Ų | 125.1 | 58% | 0.578 | 70% | 0.698 | S | S | * | * | | | trans | -59.4 | 134.4 | 175.1 | 23.5 | -31.5 | 0 | 0 | 0 | 108.7 | P41 G45 | P41-P43 VanDerWaalsContact O-CD 3.29Å; P41-P43 WeakPolarHBondContact O-CD 3.39Å; P43-G45 VanDerWaalsContact C-N 3.28Å; P43-G45 PolarHBondContact O-N 3.09Å |
| 44 | P | 60.7 | Low | 62.1 | Low | 144 Ų | 144 | 129.3 Ų | 129.3 | 94% | 0.935 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 89.3 | 177 | 28.6 | -31.7 | 0 | 0 | 0 | 108.2 | | |
| 45 | G | 58.7 | Low | 62.9 | Low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.1 | -12.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | P43 Q47 | P43-G45 VanDerWaalsContact C-N 3.28Å; P43-G45 PolarHBondContact O-N 3.09Å; G45-Q47 PolarHBondContact O-N 3.38Å |
| 46 | L | 57.8 | Low | 63.6 | Low | 147 Ų | 147 | 119.1 Ų | 119.1 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | | | trans | -82.9 | 105.2 | 170 | -116.9 | 87.9 | 0 | 0 | 0 | 109.5 | R48 | L46-R48 PolarHBondContact O-N 3.46Š|
| 47 | Q | 58.8 | Low | 63.6 | Low | 156 Ų | 156 | 116.6 Ų | 116.6 | 73% | 0.729 | 63% | 0.633 | S | S | * | * | | | trans | -43.6 | 113.2 | 158.9 | 48.1 | -174.7 | -18.7 | 0 | 0 | 107.7 | G45 Q49 | G45-Q47 PolarHBondContact O-N 3.38Å; Q47-Q49 PolarHBondContact O-N 2.9Å |
| 48 | R | 58.3 | Low | 63.8 | Low | 226 Ų | 226 | 122.6 Ų | 122.6 | 85% | 0.853 | 65% | 0.648 | S | S | * | * | | | trans | -59.2 | 95.8 | 170.8 | -71.2 | 173.9 | 65.1 | -171.7 | -0.4 | 105.2 | L46 D50 | L46-R48 PolarHBondContact O-N 3.46Å; R48-D50 VanDerWaalsContact C-N 3.25Å; R48-D50 PolarHBondContact O-N 3.49Å |
| 49 | Q | 60.6 | Low | 64.2 | Low | 148 Ų | 148 | 122.6 Ų | 122.6 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | | | trans | -69.1 | 98.6 | 172.8 | -161.8 | -166.6 | -13.1 | 0 | 0 | 104.2 | Q47 S51 | Q47-Q49 PolarHBondContact O-N 2.9Å; Q49-S51 PolarHBondContact O-N 3.45Å; Q49-S51 VanDerWaalsContact O-N 3.09Å |
| 50 | D | 58.4 | Low | 64.5 | Low | 110 Ų | 110 | 123.1 Ų | 123.1 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | | | trans | -46.6 | 122.5 | 177.2 | -97.6 | -47.5 | 0 | 0 | 0 | 108.3 | R48 G52 H53 | R48-D50 VanDerWaalsContact C-N 3.25Å; R48-D50 PolarHBondContact O-N 3.49Å; D50-G52 PolarHBondContact O-N 3.33Å; D50-H53 PolarHBondContact O-N 3.02Å |
| 51 | S | 61.3 | Low | 64.2 | Low | 114 Ų | 114 | 120.7 Ų | 120.7 | 80% | 0.797 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -59.6 | -3.6 | 178.9 | 46 | 0 | 0 | 0 | 0 | 113 | Q49 | Q49-S51 PolarHBondContact O-N 3.45Å; Q49-S51 VanDerWaalsContact O-N 3.09Å |
| 52 | G | 66.1 | Low | 63.7 | Low | 43 Ų | 43 | 123.2 Ų | 123.2 | 44% | 0.443 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -76.3 | -10.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116 | D50 W55 | D50-G52 PolarHBondContact O-N 3.33Å; G52-W55 PolarHBondContact O-NE1 2.95Å |
| 53 | H | 70.7 | Confident | 63.8 | Low | 105 Ų | 105 | 125.4 Ų | 125.4 | 49% | 0.486 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -128 | 31.4 | -169 | -65.1 | -55.2 | 0 | 0 | 0 | 114.7 | D50 W55 S56 | D50-H53 PolarHBondContact O-N 3.02Å; H53-W55 VanDerWaalsContact C-N 3.27Å; H53-W55 PolarHBondContact O-N 3.02Å; H53-S56 WeakPolarHBondContact CB-OG 3.31Å; H53-S56 PolarHBondContact O-N 3.48Å; H53-S56 PolarHBondContact O-OG 2.95Å |
| 54 | W | 78.4 | Confident | 63.3 | Low | 179 Ų | 179 | 128.5 Ų | 128.5 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -31.4 | 175.9 | 67.6 | -89.4 | 0 | 0 | 0 | 112.9 | F58 | W54-F58 HydrophobicContact CE3-CE2 4.15Å; W54-F58 HydrophobicContact CZ3-CE2 4.03Å |
| 55 | W | 78.1 | Confident | 62.8 | Low | 132 Ų | 132 | 128.2 Ų | 128.2 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -22.1 | -177.6 | 60.3 | -93.6 | 0 | 0 | 0 | 113.5 | G52 H53 S57 F58 F59 | G52-W55 PolarHBondContact O-NE1 2.95Å; H53-W55 VanDerWaalsContact C-N 3.27Å; H53-W55 PolarHBondContact O-N 3.02Å; W55-S57 PolarHBondContact O-N 2.61Å; W55-F58 WeakPolarHBondContact O-CD2 3.47Å; W55-F58 PolarHBondContact O-N 3.2Å; W55-F59 HydrophobicContact CE3-CD2 4.45Å |
| 56 | S | 67 | Low | 62.2 | Low | 28 Ų | 28 | 133 Ų | 133 | 20% | 0.196 | 65% | 0.647 | C | S | . | * | H | α-helix | trans | -70.6 | -19.2 | 177.4 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | H53 F58 F59 F60 | H53-S56 WeakPolarHBondContact CB-OG 3.31Å; H53-S56 PolarHBondContact O-N 3.48Å; H53-S56 PolarHBondContact O-OG 2.95Å; S56-F58 PolarHBondContact O-N 3.43Å; S56-F59 PolarHBondContact O-N 2.95Å; S56-F60 WeakPolarHBondContact O-CB 3.42Å; S56-F60 VanDerWaalsContact O-CD2 3.3Å; S56-F60 WeakPolarHBondContact O-CD2 3.4Å; S56-F60 PolarHBondContact O-N 3.27Å |
| 57 | S | 66.9 | Low | 61.6 | Low | 51 Ų | 51 | 132.3 Ų | 132.3 | 36% | 0.357 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -59.4 | -32.8 | 170.5 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | W55 F59 F60 A61 | W55-S57 PolarHBondContact O-N 2.61Å; S57-F59 VanDerWaalsContact C-N 3.27Å; S57-F59 PolarHBondContact O-N 3Å; S57-F60 PolarHBondContact O-N 3.15Å; S57-A61 WeakPolarHBondContact O-CA 3.48Å; S57-A61 WeakPolarHBondContact O-CB 3.38Å; S57-A61 PolarHBondContact O-N 3.25Å |
| 58 | F | 69.9 | Low | 61.1 | Low | 162 Ų | 162 | 128.3 Ų | 128.3 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.7 | -30.6 | 178.3 | -67.2 | -75 | 0 | 0 | 0 | 113.5 | W54 W55 S56 | W54-F58 HydrophobicContact CE3-CE2 4.15Å; W54-F58 HydrophobicContact CZ3-CE2 4.03Å; W55-F58 WeakPolarHBondContact O-CD2 3.47Å; W55-F58 PolarHBondContact O-N 3.2Å; S56-F58 PolarHBondContact O-N 3.43Å |
| 59 | F | 66.9 | Low | 60.1 | Low | 161 Ų | 161 | 123 Ų | 123 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -95.4 | -24.7 | -179.4 | -64 | -79.5 | 0 | 0 | 0 | 112.9 | W55 S56 S57 | W55-F59 HydrophobicContact CE3-CD2 4.45Å; S56-F59 PolarHBondContact O-N 2.95Å; S57-F59 VanDerWaalsContact C-N 3.27Å; S57-F59 PolarHBondContact O-N 3Å |
| 60 | F | 64.7 | Low | 59.2 | Low | 154 Ų | 154 | 123.9 Ų | 123.9 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -126.3 | -2.7 | -170.3 | -57.7 | -73.5 | 0 | 0 | 0 | 115.4 | S56 S57 N62 | S56-F60 WeakPolarHBondContact O-CB 3.42Å; S56-F60 VanDerWaalsContact O-CD2 3.3Å; S56-F60 WeakPolarHBondContact O-CD2 3.4Å; S56-F60 PolarHBondContact O-N 3.27Å; S57-F60 PolarHBondContact O-N 3.15Å; F60-N62 PolarHBondContact O-N 3.38Å; F60-N62 VanDerWaalsContact O-N 3.08Å |
| 61 | A | 57.4 | Low | 58.6 | Low | 49 Ų | 49 | 124.9 Ų | 124.9 | 41% | 0.405 | 67% | 0.666 | S | S | . | * | G | 310 helix | trans | -67.6 | -8.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S57 K63 | S57-A61 WeakPolarHBondContact O-CA 3.48Å; S57-A61 WeakPolarHBondContact O-CB 3.38Å; S57-A61 PolarHBondContact O-N 3.25Å; A61-K63 PolarHBondContact O-N 3.39Å |
| 62 | N | 55 | Low | 57.9 | Low | 169 Ų | 169 | 123.1 Ų | 123.1 | 90% | 0.904 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -81.3 | 6.2 | -179.2 | -149.9 | 20.4 | 0 | 0 | 0 | 114.3 | F60 | F60-N62 PolarHBondContact O-N 3.38Å; F60-N62 VanDerWaalsContact O-N 3.08Å |
| 63 | K | 56.8 | Low | 56.7 | Low | 196 Ų | 196 | 126.4 Ų | 126.4 | 85% | 0.852 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -111.3 | -8.4 | 176.3 | -82.7 | -140.3 | 176.6 | -170.1 | 0 | 115.6 | A61 | A61-K63 PolarHBondContact O-N 3.39Š|
| 64 | Q | 56.6 | Low | 55.4 | Low | 153 Ų | 153 | 129.8 Ų | 129.8 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -112.5 | 29.5 | -170.8 | -159.8 | 110.5 | -1.9 | 0 | 0 | 113.7 | | |
| 65 | N | 50.9 | Low | 53.7 | Low | 138 Ų | 138 | 130.5 Ų | 130.5 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | | | trans | -129.4 | 62.5 | 171.8 | -81 | -62 | 0 | 0 | 0 | 110.9 | | |
| 66 | Q | 45.2 | Very low | 52.4 | Low | 171 Ų | 171 | 133.4 Ų | 133.4 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | | | trans | -124.6 | 108.1 | 158.6 | -72.1 | -65.8 | -34.4 | 0 | 0 | 107.3 | G68 | Q66-G68 VanDerWaalsContact C-N 3.32Å; Q66-G68 PolarHBondContact O-N 3.34Å |
| 67 | P | 45.5 | Very low | 51.4 | Low | 134 Ų | 134 | 136 Ų | 136 | 87% | 0.87 | 74% | 0.743 | S | S | * | * | | | trans | -78.8 | 87 | 175.2 | 32 | -29.9 | 0 | 0 | 0 | 108.1 | | |
| 68 | G | 48.3 | Very low | 50.8 | Low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | 153 | 78 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q66 | Q66-G68 VanDerWaalsContact C-N 3.32Å; Q66-G68 PolarHBondContact O-N 3.34Å |
| 69 | S | 38 | Very low | 49.6 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -158.9 | 101.4 | 146.8 | -158 | 0 | 0 | 0 | 0 | 109.4 | | |
| 70 | M | 41.2 | Very low | 48.8 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -54.2 | 147.2 | 155.4 | -75.7 | 176.4 | 64.4 | 0 | 0 | 109.7 | | |
| 71 | V | 46.3 | Very low | 48.2 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 61.9 | 110.5 | 148.4 | 173.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 72 | G | 46.4 | Very low | 48 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | 71.7 | 89.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 73 | S | 40.7 | Very low | 48 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | trans | -152.2 | 122.1 | 142.6 | 46.8 | 0 | 0 | 0 | 0 | 110 | Q75 | S73-Q75 PolarHBondContact O-N 2.73Š|
| 74 | E | 42.6 | Very low | 47.9 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | -13.9 | 120.2 | 171.2 | -53.3 | -163.9 | 123.1 | 0 | 0 | 114.5 | K76 | E74-K76 PolarHBondContact O-N 3.24Š|
| 75 | Q | 43.8 | Very low | 48.2 | Very low | 194 Ų | 194 | 126 Ų | 126 | 91% | 0.907 | 75% | 0.746 | S | S | * | * | | | trans | -57.8 | 85.5 | 157.8 | -63.2 | 178.8 | -70.6 | 0 | 0 | 107.7 | S73 S77 | S73-Q75 PolarHBondContact O-N 2.73Å; Q75-S77 PolarHBondContact O-N 3.01Å |
| 76 | K | 49.4 | Very low | 48.6 | Very low | 193 Ų | 193 | 126.4 Ų | 126.4 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | | | trans | -76.3 | 64.3 | 162.5 | -156.9 | 141.8 | 170.6 | 174.3 | 0 | 106.9 | E74 G78 | E74-K76 PolarHBondContact O-N 3.24Å; K76-G78 PolarHBondContact O-N 2.92Å |
| 77 | S | 46.5 | Very low | 49.4 | Very low | 81 Ų | 81 | 124.2 Ų | 124.2 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | | | trans | -39.7 | 133.9 | 147.8 | -176.4 | 0 | 0 | 0 | 0 | 106 | Q75 T79 | Q75-S77 PolarHBondContact O-N 3.01Å; S77-T79 PolarHBondContact O-N 2.82Å; S77-T79 PolarHBondContact O-OG1 2.99Å |
| 78 | G | 54.3 | Low | 50.2 | Low | 77 Ų | 77 | 123.1 Ų | 123.1 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | | | trans | -60.1 | 82 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | K76 Y80 | K76-G78 PolarHBondContact O-N 2.92Å; G78-Y80 PolarHBondContact O-N 3.23Å |
| 79 | T | 45.9 | Very low | 51.3 | Low | 90 Ų | 90 | 123 Ų | 123 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | | | trans | -60.1 | 110.9 | 175.4 | -60.8 | 0 | 0 | 0 | 0 | 104.4 | S77 T81 | S77-T79 PolarHBondContact O-N 2.82Å; S77-T79 PolarHBondContact O-OG1 2.99Å; T79-T81 VanDerWaalsContact C-N 3.29Å; T79-T81 PolarHBondContact O-N 3.42Å |
| 80 | Y | 49.8 | Very low | 53 | Low | 189 Ų | 189 | 122.6 Ų | 122.6 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | | | trans | -44 | 103.5 | 154.7 | 50.1 | -86.4 | 0 | 0 | 0 | 106.1 | G78 V82 | G78-Y80 PolarHBondContact O-N 3.23Å; Y80-V82 HydrophobicContact CD2-CB 4.39Å; Y80-V82 HydrophobicContact CD2-CG2 3.72Å; Y80-V82 HydrophobicContact CE2-CG2 4.39Å; Y80-V82 PolarHBondContact O-N 3.41Å |
| 81 | T | 51.1 | Low | 54.7 | Low | 122 Ų | 122 | 117.5 Ų | 117.5 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | | | trans | -74.2 | 86.2 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 106.7 | T79 N83 | T79-T81 VanDerWaalsContact C-N 3.29Å; T79-T81 PolarHBondContact O-N 3.42Å; T81-N83 VanDerWaalsContact C-N 3.32Å; T81-N83 PolarHBondContact O-N 2.9Å; T81-N83 VanDerWaalsContact O-N 3.15Å |
| 82 | V | 53.1 | Low | 55.8 | Low | 72 Ų | 72 | 120.4 Ų | 120.4 | 44% | 0.436 | 69% | 0.688 | S | S | . | * | | | trans | -77.2 | 91.9 | 165.3 | 168.7 | 0 | 0 | 0 | 0 | 105.8 | Y80 V87 | Y80-V82 HydrophobicContact CD2-CB 4.39Å; Y80-V82 HydrophobicContact CD2-CG2 3.72Å; Y80-V82 HydrophobicContact CE2-CG2 4.39Å; Y80-V82 PolarHBondContact O-N 3.41Å; V82-V87 HydrophobicContact CG2-CG2 4.18Å |
| 83 | N | 54.8 | Low | 57 | Low | 124 Ų | 124 | 120.9 Ų | 120.9 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -93.7 | 119.7 | 164.4 | -172.8 | 9.4 | 0 | 0 | 0 | 107.2 | T81 G85 | T81-N83 VanDerWaalsContact C-N 3.32Å; T81-N83 PolarHBondContact O-N 2.9Å; T81-N83 VanDerWaalsContact O-N 3.15Å; N83-G85 PolarHBondContact O-N 2.75Å |
| 84 | N | 55.1 | Low | 58.6 | Low | 146 Ų | 146 | 121.5 Ų | 121.5 | 78% | 0.781 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.1 | 43.1 | 177.1 | -79.2 | -65.4 | 0 | 0 | 0 | 116 | Q86 | N84-Q86 PolarHBondContact O-N 3.09Š|
| 85 | G | 62.6 | Low | 60.2 | Low | 65 Ų | 65 | 117.5 Ų | 117.5 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.2 | 4.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N83 | N83-G85 PolarHBondContact O-N 2.75Š|
| 86 | Q | 59.4 | Low | 61.6 | Low | 148 Ų | 148 | 113.7 Ų | 113.7 | 69% | 0.692 | 63% | 0.634 | S | S | * | * | | | trans | -94.9 | 112.2 | 174.3 | -66.8 | -175.8 | 2.7 | 0 | 0 | 109.4 | N84 T88 | N84-Q86 PolarHBondContact O-N 3.09Å; Q86-T88 PolarHBondContact O-N 3.02Å |
| 87 | V | 62.8 | Low | 62.4 | Low | 125 Ų | 125 | 110.2 Ų | 110.2 | 76% | 0.758 | 62% | 0.619 | S | S | * | * | | | trans | -85.4 | 97.6 | 170.7 | -176 | 0 | 0 | 0 | 0 | 107.3 | V82 C89 | V82-V87 HydrophobicContact CG2-CG2 4.18Å; V87-C89 PolarHBondContact O-N 3.14Å |
| 88 | T | 63.3 | Low | 63.5 | Low | 110 Ų | 110 | 114.9 Ų | 114.9 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | | | trans | -77.4 | 113 | 179.4 | -23.6 | 0 | 0 | 0 | 0 | 109.4 | Q86 I90 | Q86-T88 PolarHBondContact O-N 3.02Å; T88-I90 PolarHBondContact O-N 2.86Å |
| 89 | C | 70.2 | Confident | 63.7 | Low | 69 Ų | 69 | 116.3 Ų | 116.3 | 47% | 0.466 | 61% | 0.61 | S | S | . | * | | | trans | -69 | 112.7 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | V87 A91 R92 | V87-C89 PolarHBondContact O-N 3.14Å; C89-A91 PolarHBondContact O-N 3.26Å; C89-A91 VanDerWaalsContact O-N 3.09Å; C89-R92 HydrophobicContact CB-CG 4.34Å; C89-R92 WeakPolarHBondContact O-CB 3.38Å; C89-R92 PolarHBondContact O-N 3.32Å |
| 90 | I | 73.3 | Confident | 64.2 | Low | 107 Ų | 107 | 118.2 Ų | 118.2 | 55% | 0.549 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.7 | -23 | -174.6 | -34 | -167.1 | 0 | 0 | 0 | 111.8 | T88 R92 E93 M94 | T88-I90 PolarHBondContact O-N 2.86Å; I90-R92 VanDerWaalsContact C-N 3.32Å; I90-R92 PolarHBondContact O-N 2.82Å; I90-E93 PolarHBondContact O-N 3.39Å; I90-M94 HydrophobicContact CG2-CE 4.13Å; I90-M94 WeakPolarHBondContact O-CG 3.37Å; I90-M94 PolarHBondContact O-N 3.25Å |
| 91 | A | 76.6 | Confident | 64.5 | Low | 59 Ų | 59 | 113.1 Ų | 113.1 | 49% | 0.488 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.3 | -36.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | C89 M94 V95 | C89-A91 PolarHBondContact O-N 3.26Å; C89-A91 VanDerWaalsContact O-N 3.09Å; A91-M94 PolarHBondContact O-N 2.93Å; A91-V95 WeakPolarHBondContact O-CG2 3.37Å; A91-V95 PolarHBondContact O-N 3.44Å; A91-V95 VanDerWaalsContact O-N 3.11Å |
| 92 | R | 70.1 | Confident | 64.7 | Low | 191 Ų | 191 | 113.1 Ų | 113.1 | 72% | 0.721 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.7 | -38.5 | 178.1 | -63.7 | -175.3 | 178.9 | -169.7 | -0.9 | 111.4 | C89 I90 V95 L96 | C89-R92 HydrophobicContact CB-CG 4.34Å; C89-R92 WeakPolarHBondContact O-CB 3.38Å; C89-R92 PolarHBondContact O-N 3.32Å; I90-R92 VanDerWaalsContact C-N 3.32Å; I90-R92 PolarHBondContact O-N 2.82Å; R92-V95 PolarHBondContact O-N 3.48Å; R92-L96 WeakPolarHBondContact O-CG 3.46Å; R92-L96 PolarHBondContact O-N 3.31Å; R92-L96 VanDerWaalsContact O-N 3.09Å |
| 93 | E | 71.1 | Confident | 64.8 | Low | 88 Ų | 88 | 113.9 Ų | 113.9 | 41% | 0.411 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.7 | -41.1 | 175.7 | -169.1 | -171.5 | 154.5 | 0 | 0 | 111.6 | I90 V95 L96 K97 | I90-E93 PolarHBondContact O-N 3.39Å; E93-V95 PolarHBondContact O-N 2.82Å; E93-L96 PolarHBondContact O-N 3.07Å; E93-K97 HydrophobicContact CG-CD 4.26Å; E93-K97 WeakPolarHBondContact O-CB 3.43Å; E93-K97 WeakPolarHBondContact O-CG 3.2Å; E93-K97 PolarHBondContact O-N 2.74Å; E93-K97 VanDerWaalsContact OE1-CE 3.31Å; E93-K97 WeakPolarHBondContact OE1-CE 3.3Å; E93-K97 IonicContact OE1-NZ 2.66Å; E93-K97 PolarHBondContact OE1-NZ 3.08Å |
| 94 | M | 75.1 | Confident | 64.8 | Low | 125 Ų | 125 | 112.7 Ų | 112.7 | 62% | 0.616 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.8 | -38.4 | 177 | -68.9 | -162.6 | -137.7 | 0 | 0 | 112.7 | I90 A91 R98 | I90-M94 HydrophobicContact CG2-CE 4.13Å; I90-M94 WeakPolarHBondContact O-CG 3.37Å; I90-M94 PolarHBondContact O-N 3.25Å; A91-M94 PolarHBondContact O-N 2.93Å; M94-R98 WeakPolarHBondContact O-CB 3.43Å; M94-R98 PolarHBondContact O-N 3.48Å |
| 95 | V | 76.9 | Confident | 64.4 | Low | 92 Ų | 92 | 112.6 Ų | 112.6 | 56% | 0.558 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.8 | -47.1 | 175.1 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | A91 R92 E93 K97 R98 Q99 | A91-V95 WeakPolarHBondContact O-CG2 3.37Å; A91-V95 PolarHBondContact O-N 3.44Å; A91-V95 VanDerWaalsContact O-N 3.11Å; R92-V95 PolarHBondContact O-N 3.48Å; E93-V95 PolarHBondContact O-N 2.82Å; V95-K97 PolarHBondContact O-N 3.06Å; V95-R98 PolarHBondContact O-N 3.2Å; V95-Q99 WeakPolarHBondContact O-CG 3.38Å; V95-Q99 PolarHBondContact O-N 3.3Å |
| 96 | L | 72.2 | Confident | 63.7 | Low | 114 Ų | 114 | 114.6 Ų | 114.6 | 60% | 0.597 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.7 | -41.9 | 178.2 | -74.6 | 166.5 | 0 | 0 | 0 | 112.4 | R92 E93 R98 Q99 L100 | R92-L96 WeakPolarHBondContact O-CG 3.46Å; R92-L96 PolarHBondContact O-N 3.31Å; R92-L96 VanDerWaalsContact O-N 3.09Å; E93-L96 PolarHBondContact O-N 3.07Å; L96-R98 VanDerWaalsContact C-N 3.33Å; L96-R98 PolarHBondContact O-N 3.31Å; L96-Q99 PolarHBondContact O-N 3.07Å; L96-L100 WeakPolarHBondContact O-CD1 3.49Å; L96-L100 PolarHBondContact O-N 3.18Å |
| 97 | K | 66.1 | Low | 63.3 | Low | 121 Ų | 121 | 110.9 Ų | 110.9 | 53% | 0.526 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63 | -39.2 | 174.8 | -78.8 | 178.8 | 168.2 | 169.6 | 0 | 111.9 | E93 V95 L100 S101 | E93-K97 HydrophobicContact CG-CD 4.26Å; E93-K97 WeakPolarHBondContact O-CB 3.43Å; E93-K97 WeakPolarHBondContact O-CG 3.2Å; E93-K97 PolarHBondContact O-N 2.74Å; E93-K97 VanDerWaalsContact OE1-CE 3.31Å; E93-K97 WeakPolarHBondContact OE1-CE 3.3Å; E93-K97 IonicContact OE1-NZ 2.66Å; E93-K97 PolarHBondContact OE1-NZ 3.08Å; V95-K97 PolarHBondContact O-N 3.06Å; K97-L100 PolarHBondContact O-N 2.76Å; K97-S101 WeakPolarHBondContact O-CB 3.29Å; K97-S101 PolarHBondContact O-N 3.34Å; K97-S101 PolarHBondContact O-OG 2.81Å |
| 98 | R | 69.3 | Low | 62.2 | Low | 179 Ų | 179 | 114.6 Ų | 114.6 | 68% | 0.675 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.5 | -43.1 | 175.8 | -175.7 | 169.7 | 176 | 127.4 | 0.1 | 111.9 | M94 V95 L96 S101 E102 | M94-R98 WeakPolarHBondContact O-CB 3.43Å; M94-R98 PolarHBondContact O-N 3.48Å; V95-R98 PolarHBondContact O-N 3.2Å; L96-R98 VanDerWaalsContact C-N 3.33Å; L96-R98 PolarHBondContact O-N 3.31Å; R98-S101 PolarHBondContact O-N 3.06Å; R98-E102 WeakPolarHBondContact O-CB 2.83Å; R98-E102 PolarHBondContact O-N 3.28Å |
| 99 | Q | 59.5 | Low | 61.6 | Low | 106 Ų | 106 | 118.2 Ų | 118.2 | 50% | 0.495 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.6 | -39.2 | 177 | -61.7 | -56.2 | 76.2 | 0 | 0 | 112.8 | V95 L96 S101 S103 | V95-Q99 WeakPolarHBondContact O-CG 3.38Å; V95-Q99 PolarHBondContact O-N 3.3Å; L96-Q99 PolarHBondContact O-N 3.07Å; Q99-S101 VanDerWaalsContact C-N 3.34Å; Q99-S103 WeakPolarHBondContact O-CB 3.45Å; Q99-S103 PolarHBondContact O-N 3.08Å |
| 100 | L | 56.8 | Low | 60 | Low | 131 Ų | 131 | 124.2 Ų | 124.2 | 69% | 0.686 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.8 | -35.2 | 174.6 | -101.2 | 85.7 | 0 | 0 | 0 | 112.5 | L96 K97 S104 | L96-L100 WeakPolarHBondContact O-CD1 3.49Å; L96-L100 PolarHBondContact O-N 3.18Å; K97-L100 PolarHBondContact O-N 2.76Å; L100-S104 PolarHBondContact O-N 3.49Å; L100-S104 VanDerWaalsContact O-N 3.15Å |
| 101 | S | 56.3 | Low | 58.8 | Low | 82 Ų | 82 | 128 Ų | 128 | 57% | 0.573 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.3 | -40.6 | 178.6 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | K97 R98 Q99 S104 | K97-S101 WeakPolarHBondContact O-CB 3.29Å; K97-S101 PolarHBondContact O-N 3.34Å; K97-S101 PolarHBondContact O-OG 2.81Å; R98-S101 PolarHBondContact O-N 3.06Å; Q99-S101 VanDerWaalsContact C-N 3.34Å; S101-S104 PolarHBondContact O-N 3.46Å |
| 102 | E | 53.9 | Low | 57.3 | Low | 122 Ų | 122 | 128.8 Ų | 128.8 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.8 | -38.6 | 176 | -167.8 | 172.1 | 95.2 | 0 | 0 | 111.8 | R98 S104 D105 | R98-E102 WeakPolarHBondContact O-CB 2.83Å; R98-E102 PolarHBondContact O-N 3.28Å; E102-S104 VanDerWaalsContact C-N 3.28Å; E102-S104 PolarHBondContact O-N 2.75Å; E102-D105 PolarHBondContact O-N 3.45Å |
| 103 | S | 54.9 | Low | 56 | Low | 87 Ų | 87 | 125.1 Ų | 125.1 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70 | -21.3 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 113.8 | Q99 S106 | Q99-S103 WeakPolarHBondContact O-CB 3.45Å; Q99-S103 PolarHBondContact O-N 3.08Å; S103-S106 PolarHBondContact O-OG 3.23Å |
| 104 | S | 54.9 | Low | 55.2 | Low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -12.5 | 177.9 | -172.4 | 0 | 0 | 0 | 0 | 113 | L100 S101 E102 S106 | L100-S104 PolarHBondContact O-N 3.49Å; L100-S104 VanDerWaalsContact O-N 3.15Å; S101-S104 PolarHBondContact O-N 3.46Å; E102-S104 VanDerWaalsContact C-N 3.28Å; E102-S104 PolarHBondContact O-N 2.75Å; S104-S106 VanDerWaalsContact C-N 3.34Å |
| 105 | D | 47.5 | Very low | 54.3 | Low | 144 Ų | 144 | 125.8 Ų | 125.8 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 3.4 | 178.5 | -165.1 | -117.6 | 0 | 0 | 0 | 112.7 | E102 G107 | E102-D105 PolarHBondContact O-N 3.45Å; D105-G107 PolarHBondContact O-N 2.78Å |
| 106 | S | 46.8 | Very low | 53.2 | Low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -87.8 | 25.2 | 175.9 | 70.7 | 0 | 0 | 0 | 0 | 113.5 | S103 S104 | S103-S106 PolarHBondContact O-OG 3.23Å; S104-S106 VanDerWaalsContact C-N 3.34Å |
| 107 | G | 52.3 | Low | 52.5 | Low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | -129.2 | 41.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D105 | D105-G107 PolarHBondContact O-N 2.78Š|
| 108 | K | 39.2 | Very low | 51.8 | Low | 203 Ų | 203 | 132.1 Ų | 132.1 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | trans | -141.4 | 107.5 | 166 | -153.3 | 174.8 | 172.3 | -175.2 | 0 | 111.7 | | |
| 109 | M | 51.3 | Low | 50.9 | Low | 186 Ų | 186 | 129.6 Ų | 129.6 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | | | trans | -49.5 | 132.7 | 171.1 | -61.6 | 171.4 | -82.7 | 0 | 0 | 110.8 | | |
| 110 | E | 36.3 | Very low | 50.4 | Low | 195 Ų | 195 | 130.9 Ų | 130.9 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | trans | -126.7 | 125.7 | 156.4 | -155.8 | 177 | 121.4 | 0 | 0 | 110.5 | | |
| 111 | H | 48 | Very low | 50.1 | Low | 186 Ų | 186 | 130.9 Ų | 130.9 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -71.8 | 138.9 | 176.7 | -120.2 | 63.7 | 0 | 0 | 0 | 110.3 | | |
| 112 | G | 45.4 | Very low | 49.7 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | 110.5 | 105 | 141.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 113 | S | 43 | Very low | 49.4 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | | 168.1 | 129.9 | 119.2 | 180 | 0 | 0 | 0 | 0 | 109.9 | | |
| 114 | P | 54.5 | Low | 49 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 159.7 | 176.2 | 33.3 | -32.7 | 0 | 0 | 0 | 112.2 | | |
| 115 | P | 55.6 | Low | 48.5 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 148.9 | -175.5 | 31.4 | -34.6 | 0 | 0 | 0 | 112.2 | | |
| 116 | P | 53.9 | Low | 48.6 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 84% | 0.844 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 137.9 | 173.7 | 30.7 | -32.3 | 0 | 0 | 0 | 111.3 | | |
| 117 | S | 57.5 | Low | 48.8 | Very low | 197 Ų | 197 | 144 Ų | 144 | 100% | 1.378 | 87% | 0.87 | S | S | * | * | | | trans | -68.1 | 0 | 170.8 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | | |