| 1 | M | 41.7 | Very low | 42.8 | Very low | 234 Ų | 234 | 154.9 Ų | 154.9 | 100% | 1.153 | 83% | 0.825 | S | S | * | * | | | | 0 | 117.2 | 0 | -80.8 | 176 | 108.9 | 0 | 0 | 107.3 | | |
| 2 | L | 43 | Very low | 42.9 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | | | trans | -91.4 | 107.7 | 173.9 | -75.2 | 161.6 | 0 | 0 | 0 | 107.6 | F4 | L2-F4 HydrophobicContact CB-CE2 4.36Å; L2-F4 PolarHBondContact O-N 3.07Å |
| 3 | L | 38.4 | Very low | 42.8 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | | | trans | -81.2 | 106.1 | 171.5 | -86.7 | 138.8 | 0 | 0 | 0 | 107.8 | A5 | L3-A5 PolarHBondContact O-N 3.03Š|
| 4 | F | 41.1 | Very low | 42.4 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | | | trans | -72.8 | 106.5 | 169.2 | -68.3 | -86.5 | 0 | 0 | 0 | 108 | L2 H6 | L2-F4 HydrophobicContact CB-CE2 4.36Å; L2-F4 PolarHBondContact O-N 3.07Å; F4-H6 PolarHBondContact O-N 3.18Å; F4-H6 VanDerWaalsContact O-N 3.13Å |
| 5 | A | 41.1 | Very low | 42.3 | Very low | 93 Ų | 93 | 148.9 Ų | 148.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -61.7 | 115 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | L3 V7 | L3-A5 PolarHBondContact O-N 3.03Å; A5-V7 PolarHBondContact O-N 3.37Å |
| 6 | H | 42.9 | Very low | 42.1 | Very low | 180 Ų | 180 | 151 Ų | 151 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | | | trans | -67 | 101.5 | 177.7 | -155.6 | -56.9 | 0 | 0 | 0 | 107.9 | F4 P8 | F4-H6 PolarHBondContact O-N 3.18Å; F4-H6 VanDerWaalsContact O-N 3.13Å; H6-P8 WeakPolarHBondContact O-CD 3.24Å |
| 7 | V | 47 | Very low | 42 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | | | trans | -70.9 | 113.8 | 173 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | A5 K9 | A5-V7 PolarHBondContact O-N 3.37Å; V7-K9 PolarHBondContact O-N 3.06Å |
| 8 | P | 44.2 | Very low | 41.5 | Very low | 92 Ų | 92 | 151.2 Ų | 151.2 | 60% | 0.597 | 79% | 0.794 | S | S | * | * | | | trans | -65.2 | 133.8 | 174.8 | 27.2 | -30.6 | 0 | 0 | 0 | 108.6 | H6 A10 | H6-P8 WeakPolarHBondContact O-CD 3.24Å; P8-A10 PolarHBondContact O-N 3.13Å |
| 9 | K | 44 | Very low | 41.4 | Very low | 206 Ų | 206 | 155.5 Ų | 155.5 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -43.4 | 126.4 | 172.1 | -85.6 | 176.7 | 170.3 | 172.7 | 0 | 109.9 | V7 Q11 | V7-K9 PolarHBondContact O-N 3.06Å; K9-Q11 PolarHBondContact O-N 3.27Å |
| 10 | A | 44.3 | Very low | 41.9 | Very low | 91 Ų | 91 | 153 Ų | 153 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | 33.9 | 75.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P8 E12 | P8-A10 PolarHBondContact O-N 3.13Å; A10-E12 PolarHBondContact O-N 3.11Å; A10-E12 VanDerWaalsContact O-N 3.09Å |
| 11 | Q | 42.5 | Very low | 42.1 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -61.4 | 114.5 | 167 | -152.7 | 174.5 | 39.4 | 0 | 0 | 107.1 | K9 V13 | K9-Q11 PolarHBondContact O-N 3.27Å; Q11-V13 PolarHBondContact O-N 2.8Å |
| 12 | E | 44.4 | Very low | 42.5 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | trans | -53.3 | 104.4 | 174.3 | -74.5 | 178.2 | 135.4 | 0 | 0 | 108.4 | A10 F14 | A10-E12 PolarHBondContact O-N 3.11Å; A10-E12 VanDerWaalsContact O-N 3.09Å; E12-F14 HydrophobicContact CB-CD2 4.25Å; E12-F14 HydrophobicContact CB-CE2 3.8Å; E12-F14 HydrophobicContact CB-CZ 4.36Å; E12-F14 VanDerWaalsContact O-CD2 3.24Å; E12-F14 WeakPolarHBondContact O-CD2 3.34Å; E12-F14 PolarHBondContact O-N 2.91Å |
| 13 | V | 41.2 | Very low | 42.4 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | | | trans | -76.5 | 98.3 | 172.2 | -171.3 | 0 | 0 | 0 | 0 | 106.4 | Q11 I15 | Q11-V13 PolarHBondContact O-N 2.8Å; V13-I15 VanDerWaalsContact C-N 3.35Å; V13-I15 HydrophobicContact CG1-CG1 3.99Å; V13-I15 PolarHBondContact O-N 3.42Å |
| 14 | F | 37.3 | Very low | 42.8 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 75% | 0.746 | 74% | 0.74 | S | S | * | * | | | trans | -67.1 | 91.8 | 171.3 | -71.1 | -93.9 | 0 | 0 | 0 | 109.1 | E12 | E12-F14 HydrophobicContact CB-CD2 4.25Å; E12-F14 HydrophobicContact CB-CE2 3.8Å; E12-F14 HydrophobicContact CB-CZ 4.36Å; E12-F14 VanDerWaalsContact O-CD2 3.24Å; E12-F14 WeakPolarHBondContact O-CD2 3.34Å; E12-F14 PolarHBondContact O-N 2.91Å |
| 15 | I | 40.9 | Very low | 42.9 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 56% | 0.559 | 74% | 0.739 | S | S | * | * | | | trans | -88.5 | 105.5 | 164.5 | -56.4 | 176 | 0 | 0 | 0 | 106.2 | V13 G17 | V13-I15 VanDerWaalsContact C-N 3.35Å; V13-I15 HydrophobicContact CG1-CG1 3.99Å; V13-I15 PolarHBondContact O-N 3.42Å; I15-G17 PolarHBondContact O-N 3.41Å |
| 16 | E | 39.5 | Very low | 43.3 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 37.6 | 77.6 | 168.2 | -67.6 | -173.2 | 141.6 | 0 | 0 | 115.8 | R18 | E16-R18 PolarHBondContact O-N 3.27Š|
| 17 | G | 39.9 | Very low | 43.4 | Very low | 88 Ų | 88 | 143.6 Ų | 143.6 | 91% | 0.907 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.8 | 6.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | I15 | I15-G17 PolarHBondContact O-N 3.41Š|
| 18 | R | 33.3 | Very low | 43.2 | Very low | 218 Ų | 218 | 147.5 Ų | 147.5 | 82% | 0.823 | 74% | 0.738 | S | S | * | * | | | trans | -112.2 | 115.7 | 176.4 | -116.1 | 177.9 | -177.9 | 163.8 | 1.7 | 109.7 | E16 I20 | E16-R18 PolarHBondContact O-N 3.27Å; R18-I20 PolarHBondContact O-N 3.15Å |
| 19 | R | 39.2 | Very low | 43.4 | Very low | 232 Ų | 232 | 148.7 Ų | 148.7 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | | | trans | -61.2 | 109.7 | 169.5 | -63.7 | -171.6 | 85.7 | 177.5 | 5.6 | 107.8 | D21 | R19-D21 VanDerWaalsContact C-N 3.28Å; R19-D21 PolarHBondContact O-N 3.43Å |
| 20 | I | 51.8 | Low | 43.7 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 54% | 0.538 | 74% | 0.737 | S | S | . | * | | | trans | -75 | 94.1 | 166.2 | -58 | 178.7 | 0 | 0 | 0 | 104.8 | R18 D22 | R18-I20 PolarHBondContact O-N 3.15Å; I20-D22 PolarHBondContact O-N 2.93Å |
| 21 | D | 46.2 | Very low | 43.5 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | | | trans | -59.1 | 127.9 | 170.7 | -165.7 | -86.1 | 0 | 0 | 0 | 107.8 | R19 S23 | R19-D21 VanDerWaalsContact C-N 3.28Å; R19-D21 PolarHBondContact O-N 3.43Å; D21-S23 PolarHBondContact O-N 2.96Å; D21-S23 PolarHBondContact O-OG 3.06Å |
| 22 | D | 50.2 | Low | 43.7 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -68.8 | 35.1 | -172 | -144.5 | 5.2 | 0 | 0 | 0 | 112.9 | I20 H24 | I20-D22 PolarHBondContact O-N 2.93Å; D22-H24 PolarHBondContact O-N 3.02Å |
| 23 | S | 40.4 | Very low | 43.6 | Very low | 93 Ų | 93 | 148.1 Ų | 148.1 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | | | trans | -61.7 | -0.2 | 166.9 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | D21 R25 | D21-S23 PolarHBondContact O-N 2.96Å; D21-S23 PolarHBondContact O-OG 3.06Å; S23-R25 PolarHBondContact O-N 2.79Å |
| 24 | H | 46.7 | Very low | 43.7 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | | | trans | -70.7 | 70.8 | 163.3 | -65.6 | 95.7 | 0 | 0 | 0 | 110 | D22 | D22-H24 PolarHBondContact O-N 3.02Š|
| 25 | R | 43.7 | Very low | 43.5 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | -45.8 | 124.2 | 168.4 | -163.7 | -179.1 | -164.1 | -172.8 | 5.7 | 108.2 | S23 I27 | S23-R25 PolarHBondContact O-N 2.79Å; R25-I27 PolarHBondContact O-N 3.1Å |
| 26 | P | 48.7 | Very low | 43.5 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -52.3 | 115 | 173.8 | -23.5 | 30.9 | 0 | 0 | 0 | 108.5 | R28 | P26-R28 PolarHBondContact O-N 2.81Š|
| 27 | I | 45.7 | Very low | 43.5 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 82% | 0.821 | 77% | 0.765 | S | S | * | * | | | trans | -59.5 | 108.4 | 168.9 | -62.1 | 174.9 | 0 | 0 | 0 | 104.4 | R25 | R25-I27 PolarHBondContact O-N 3.1Š|
| 28 | R | 43.7 | Very low | 43.6 | Very low | 207 Ų | 207 | 144.7 Ų | 144.7 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | trans | -51.3 | 137.6 | -179.3 | -72.3 | -175.8 | 171.1 | -153.9 | -2.5 | 108.4 | P26 I30 | P26-R28 PolarHBondContact O-N 2.81Å; R28-I30 PolarHBondContact O-N 2.98Å |
| 29 | P | 48.4 | Very low | 44 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | trans | -55.2 | 121.6 | 172.9 | 22.2 | -30.2 | 0 | 0 | 0 | 107.9 | S31 | P29-S31 VanDerWaalsContact C-N 3.26Å; P29-S31 PolarHBondContact O-N 2.79Å |
| 30 | I | 48.8 | Very low | 43.7 | Very low | 141 Ų | 141 | 136 Ų | 136 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | | | trans | -70.5 | 92.3 | 172.5 | -61.4 | 172.9 | 0 | 0 | 0 | 105.6 | R28 R32 | R28-I30 PolarHBondContact O-N 2.98Å; I30-R32 HydrophobicContact CG2-CG 4.01Å; I30-R32 PolarHBondContact O-N 3.41Å; I30-R32 VanDerWaalsContact O-N 3.08Å |
| 31 | S | 40 | Very low | 42.9 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -64.7 | 105.6 | 167.9 | -17.5 | 0 | 0 | 0 | 0 | 107.2 | P29 | P29-S31 VanDerWaalsContact C-N 3.26Å; P29-S31 PolarHBondContact O-N 2.79Å |
| 32 | R | 46.8 | Very low | 42.6 | Very low | 211 Ų | 211 | 135.4 Ų | 135.4 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | -121 | 133.2 | 163.3 | -84 | -174.1 | 172.3 | -168.2 | -1.7 | 109.7 | I30 V34 | I30-R32 HydrophobicContact CG2-CG 4.01Å; I30-R32 PolarHBondContact O-N 3.41Å; I30-R32 VanDerWaalsContact O-N 3.08Å; R32-V34 PolarHBondContact O-N 3.45Å |
| 33 | P | 42.9 | Very low | 42.3 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -70.8 | 126.9 | -169.2 | 27.9 | -32.5 | 0 | 0 | 0 | 110.4 | G35 | P33-G35 VanDerWaalsContact C-N 3.27Å; P33-G35 PolarHBondContact O-N 2.97Å |
| 34 | V | 43 | Very low | 41.9 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | trans | -77.2 | 84.3 | 172.1 | -172.8 | 0 | 0 | 0 | 0 | 107.5 | R32 | R32-V34 PolarHBondContact O-N 3.45Š|
| 35 | G | 33.6 | Very low | 41.3 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -128.2 | 57.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | P33 | P33-G35 VanDerWaalsContact C-N 3.27Å; P33-G35 PolarHBondContact O-N 2.97Å |
| 36 | S | 41.3 | Very low | 41.1 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -164.8 | 115.3 | 165.7 | -173.8 | 0 | 0 | 0 | 0 | 108 | N38 | S36-N38 PolarHBondContact O-N 3.45Š|
| 37 | S | 38.4 | Very low | 40.9 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -51.9 | 112.8 | -177.4 | -43.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 38 | N | 43.6 | Very low | 41 | Very low | 147 Ų | 147 | 120.9 Ų | 120.9 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | | | trans | -124.4 | 90.6 | 176.2 | -95.8 | -10.5 | 0 | 0 | 0 | 109.3 | S36 G40 | S36-N38 PolarHBondContact O-N 3.45Å; N38-G40 PolarHBondContact O-N 3.18Å |
| 39 | E | 39.9 | Very low | 41 | Very low | 212 Ų | 212 | 115.1 Ų | 115.1 | 99% | 0.991 | 73% | 0.726 | S | S | * | * | | | trans | -68.7 | 84.2 | 146.2 | -66.7 | -169.1 | 113 | 0 | 0 | 106.7 | | |
| 40 | G | 34.8 | Very low | 41.1 | Very low | 55 Ų | 55 | 113.7 Ų | 113.7 | 57% | 0.567 | 72% | 0.715 | S | S | * | * | | | trans | -139 | 115.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | N38 | N38-G40 PolarHBondContact O-N 3.18Š|
| 41 | S | 33.7 | Very low | 41.1 | Very low | 101 Ų | 101 | 117.3 Ų | 117.3 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | | | trans | 1.1 | 124.1 | 173.4 | -61.5 | 0 | 0 | 0 | 0 | 117.9 | I43 | S41-I43 PolarHBondContact O-N 2.96Š|
| 42 | P | 39.6 | Very low | 41.6 | Very low | 120 Ų | 120 | 112.3 Ų | 112.3 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -58.1 | 131.7 | 159.1 | 28.7 | -30.6 | 0 | 0 | 0 | 106.2 | | |
| 43 | I | 44 | Very low | 41.8 | Very low | 169 Ų | 169 | 107.6 Ų | 107.6 | 87% | 0.867 | 69% | 0.685 | S | S | * | * | | | trans | 84.4 | 56.8 | 176.3 | -38.2 | 151.5 | 0 | 0 | 0 | 114 | S41 | S41-I43 PolarHBondContact O-N 2.96Š|
| 44 | G | 32.7 | Very low | 42.4 | Very low | 71 Ų | 71 | 104.8 Ų | 104.8 | 73% | 0.732 | 67% | 0.666 | S | S | * | * | | | trans | -80.5 | 113.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 45 | G | 34.6 | Very low | 43 | Very low | 70 Ų | 70 | 109.4 Ų | 109.4 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 69.8 | 68.2 | 131.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 46 | V | 39.7 | Very low | 44.3 | Very low | 109 Ų | 109 | 110 Ų | 110 | 66% | 0.661 | 66% | 0.664 | S | S | * | * | | | | -160.2 | 90.2 | 126 | -99.9 | 0 | 0 | 0 | 0 | 106.8 | G48 T50 | V46-G48 PolarHBondContact O-N 3.43Å; V46-T50 VanDerWaalsContact CG1-CB 3.47Å; V46-T50 HydrophobicContact CG1-CG2 3.75Å |
| 47 | T | 44.2 | Very low | 45.1 | Very low | 98 Ų | 98 | 108.9 Ų | 108.9 | 60% | 0.601 | 66% | 0.655 | S | S | * | * | | | trans | -52.9 | 139.1 | 159.3 | 42.7 | 0 | 0 | 0 | 0 | 106.7 | L49 T50 | T47-L49 PolarHBondContact O-N 3.31Å; T47-T50 PolarHBondContact O-N 3.4Å; T47-T50 PolarHBondContact O-OG1 2.92Å |
| 48 | G | 46.6 | Very low | 46.2 | Very low | 28 Ų | 28 | 109.8 Ų | 109.8 | 29% | 0.289 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -50.7 | -19.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V46 T50 R51 F61 | V46-G48 PolarHBondContact O-N 3.43Å; G48-T50 PolarHBondContact O-N 2.85Å; G48-T50 VanDerWaalsContact O-N 3.11Å; G48-R51 PolarHBondContact O-N 3.45Å; G48-R51 VanDerWaalsContact O-N 3.1Å; G48-F61 WeakPolarHBondContact O-CE1 3.34Å; G48-F61 VanDerWaalsContact O-CZ 3.23Å; G48-F61 WeakPolarHBondContact O-CZ 3.49Å |
| 49 | L | 44.8 | Very low | 47.3 | Very low | 85 Ų | 85 | 106.9 Ų | 106.9 | 45% | 0.445 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -48.1 | -29.5 | 165.1 | -72.8 | 161.8 | 0 | 0 | 0 | 115.1 | T47 A52 L62 | T47-L49 PolarHBondContact O-N 3.31Å; L49-A52 PolarHBondContact O-N 3.38Å; L49-L62 HydrophobicContact CD2-CD2 4.03Å |
| 50 | T | 49.8 | Very low | 48.7 | Very low | 86 Ų | 86 | 99.5 Ų | 99.5 | 53% | 0.528 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -82.6 | -17.5 | -176.9 | -32.5 | 0 | 0 | 0 | 0 | 112.6 | V46 T47 G48 | V46-T50 VanDerWaalsContact CG1-CB 3.47Å; V46-T50 HydrophobicContact CG1-CG2 3.75Å; T47-T50 PolarHBondContact O-N 3.4Å; T47-T50 PolarHBondContact O-OG1 2.92Å; G48-T50 PolarHBondContact O-N 2.85Å; G48-T50 VanDerWaalsContact O-N 3.11Å |
| 51 | R | 50.2 | Low | 50.2 | Low | 218 Ų | 218 | 100.5 Ų | 100.5 | 82% | 0.823 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -11.9 | 170.2 | -88.6 | -177.1 | 170.9 | -177.9 | -2.3 | 113 | G48 S53 F61 | G48-R51 PolarHBondContact O-N 3.45Å; G48-R51 VanDerWaalsContact O-N 3.1Å; R51-S53 PolarHBondContact O-N 3.06Å; R51-F61 HydrophobicContact CB-CE2 4.41Å |
| 52 | A | 48.8 | Very low | 52 | Low | 10 Ų | 10 | 99 Ų | 99 | 8% | 0.083 | 58% | 0.577 | C | S | . | * | | | trans | -95.6 | 56.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L49 T54 R58 F61 | L49-A52 PolarHBondContact O-N 3.38Å; A52-T54 PolarHBondContact O-N 2.91Å; A52-R58 HydrophobicContact CB-CB 4.29Å; A52-F61 HydrophobicContact CB-CB 3.77Å; A52-F61 HydrophobicContact CB-CD1 4.39Å; A52-F61 HydrophobicContact CB-CD2 4.49Å; A52-F61 HydrophobicContact CB-CG 3.93Å |
| 53 | S | 52.3 | Low | 53.6 | Low | 112 Ų | 112 | 98.8 Ų | 98.8 | 78% | 0.783 | 57% | 0.569 | S | S | * | * | | | trans | -79.9 | 5 | -173.6 | 63 | 0 | 0 | 0 | 0 | 115 | R51 | R51-S53 PolarHBondContact O-N 3.06Š|
| 54 | T | 55 | Low | 54.9 | Low | 68 Ų | 68 | 94.8 Ų | 94.8 | 42% | 0.417 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -114 | 141 | 171 | 74.5 | 0 | 0 | 0 | 0 | 110.7 | A52 A56 C57 R58 | A52-T54 PolarHBondContact O-N 2.91Å; T54-A56 PolarHBondContact O-N 3.33Å; T54-A56 VanDerWaalsContact O-N 3.07Å; T54-C57 PolarHBondContact O-N 2.95Å; T54-C57 VanDerWaalsContact OG1-CB 3.24Å; T54-C57 WeakPolarHBondContact OG1-CB 3.41Å; T54-C57 PolarHBondContact OG1-N 2.7Å; T54-C57 VanDerWaalsContact OG1-N 3.13Å; T54-C57 PolarHBondContact OG1-SG 2.96Å; T54-R58 PolarHBondContact O-N 3.06Å |
| 55 | R | 55.6 | Low | 56.8 | Low | 247 Ų | 247 | 93 Ų | 93 | 93% | 0.932 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -28 | 176.2 | -163.5 | -179.7 | -156.1 | -172.8 | 6 | 112.4 | | |
| 56 | A | 61 | Low | 58.5 | Low | 87 Ų | 87 | 94 Ų | 94 | 72% | 0.719 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -35.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T54 | T54-A56 PolarHBondContact O-N 3.33Å; T54-A56 VanDerWaalsContact O-N 3.07Å |
| 57 | C | 57.6 | Low | 59.9 | Low | 68 Ų | 68 | 95 Ų | 95 | 46% | 0.459 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -85.6 | -19.9 | -177.1 | -66.2 | 0 | 0 | 0 | 0 | 113.6 | T54 A60 F61 | T54-C57 PolarHBondContact O-N 2.95Å; T54-C57 VanDerWaalsContact OG1-CB 3.24Å; T54-C57 WeakPolarHBondContact OG1-CB 3.41Å; T54-C57 PolarHBondContact OG1-N 2.7Å; T54-C57 VanDerWaalsContact OG1-N 3.13Å; T54-C57 PolarHBondContact OG1-SG 2.96Å; C57-A60 PolarHBondContact O-N 2.96Å; C57-F61 WeakPolarHBondContact O-CB 3.23Å; C57-F61 PolarHBondContact O-N 3.07Å |
| 58 | R | 61.8 | Low | 61.1 | Low | 144 Ų | 144 | 93.4 Ų | 93.4 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | -176.7 | -171.9 | 179.1 | 175.8 | -144.5 | -1.2 | 114.4 | A52 T54 L62 | A52-R58 HydrophobicContact CB-CB 4.29Å; T54-R58 PolarHBondContact O-N 3.06Å; R58-L62 HydrophobicContact CG-CD1 4.2Å; R58-L62 WeakPolarHBondContact O-CG 3.48Å; R58-L62 PolarHBondContact O-N 2.9Å; R58-L62 VanDerWaalsContact O-N 3.15Å |
| 59 | P | 66.1 | Low | 62.2 | Low | 86 Ų | 86 | 96.3 Ų | 96.3 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -46.7 | 177.2 | -21.5 | 33.9 | 0 | 0 | 0 | 112.2 | F61 L62 D63 | P59-F61 VanDerWaalsContact C-N 3.34Å; P59-F61 PolarHBondContact O-N 3.43Å; P59-L62 PolarHBondContact O-N 3.13Å; P59-D63 WeakPolarHBondContact O-CB 3.19Å; P59-D63 PolarHBondContact O-N 3.39Å |
| 60 | A | 69.3 | Low | 63.3 | Low | 57 Ų | 57 | 102 Ų | 102 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -39.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C57 D63 C64 | C57-A60 PolarHBondContact O-N 2.96Å; A60-D63 PolarHBondContact O-N 3.29Å; A60-C64 WeakPolarHBondContact O-CB 3.46Å; A60-C64 PolarHBondContact O-N 2.74Å; A60-C64 PolarHBondContact O-SG 3.27Å |
| 61 | F | 67.7 | Low | 64 | Low | 76 Ų | 76 | 101.3 Ų | 101.3 | 33% | 0.333 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.1 | -44.2 | 176.6 | -174.3 | -82.2 | 0 | 0 | 0 | 111.9 | G48 R51 A52 C57 P59 G65 | G48-F61 WeakPolarHBondContact O-CE1 3.34Å; G48-F61 VanDerWaalsContact O-CZ 3.23Å; G48-F61 WeakPolarHBondContact O-CZ 3.49Å; R51-F61 HydrophobicContact CB-CE2 4.41Å; A52-F61 HydrophobicContact CB-CB 3.77Å; A52-F61 HydrophobicContact CB-CD1 4.39Å; A52-F61 HydrophobicContact CB-CD2 4.49Å; A52-F61 HydrophobicContact CB-CG 3.93Å; C57-F61 WeakPolarHBondContact O-CB 3.23Å; C57-F61 PolarHBondContact O-N 3.07Å; P59-F61 VanDerWaalsContact C-N 3.34Å; P59-F61 PolarHBondContact O-N 3.43Å; F61-G65 PolarHBondContact O-N 3.13Å |
| 62 | L | 71.1 | Confident | 64.4 | Low | 70 Ų | 70 | 98.5 Ų | 98.5 | 37% | 0.366 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 177.9 | -69.6 | 172.8 | 0 | 0 | 0 | 111.3 | L49 R58 P59 G65 D66 | L49-L62 HydrophobicContact CD2-CD2 4.03Å; R58-L62 HydrophobicContact CG-CD1 4.2Å; R58-L62 WeakPolarHBondContact O-CG 3.48Å; R58-L62 PolarHBondContact O-N 2.9Å; R58-L62 VanDerWaalsContact O-N 3.15Å; P59-L62 PolarHBondContact O-N 3.13Å; L62-G65 PolarHBondContact O-N 2.99Å; L62-D66 WeakPolarHBondContact O-CB 3.27Å; L62-D66 PolarHBondContact O-N 2.91Å |
| 63 | D | 73.2 | Confident | 64.9 | Low | 116 Ų | 116 | 103.4 Ų | 103.4 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.9 | -45.6 | 178 | -167.8 | 50.6 | 0 | 0 | 0 | 112.1 | P59 A60 G65 D66 H67 | P59-D63 WeakPolarHBondContact O-CB 3.19Å; P59-D63 PolarHBondContact O-N 3.39Å; A60-D63 PolarHBondContact O-N 3.29Å; D63-G65 VanDerWaalsContact C-N 3.34Å; D63-G65 PolarHBondContact O-N 3.43Å; D63-D66 PolarHBondContact O-N 3.2Å; D63-H67 WeakPolarHBondContact O-CB 3.38Å; D63-H67 PolarHBondContact O-N 3.09Å |
| 64 | C | 71.8 | Confident | 65.2 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 57% | 0.568 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.5 | -37.3 | 173.7 | -67.1 | 0 | 0 | 0 | 0 | 112.7 | A60 H67 A68 | A60-C64 WeakPolarHBondContact O-CB 3.46Å; A60-C64 PolarHBondContact O-N 2.74Å; A60-C64 PolarHBondContact O-SG 3.27Å; C64-H67 PolarHBondContact O-N 2.92Å; C64-A68 WeakPolarHBondContact O-CB 3.32Å; C64-A68 PolarHBondContact O-N 3.23Å |
| 65 | G | 71.3 | Confident | 64.7 | Low | 34 Ų | 34 | 109.4 Ų | 109.4 | 35% | 0.351 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.4 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F61 L62 D63 H67 A68 A69 | F61-G65 PolarHBondContact O-N 3.13Å; L62-G65 PolarHBondContact O-N 2.99Å; D63-G65 VanDerWaalsContact C-N 3.34Å; D63-G65 PolarHBondContact O-N 3.43Å; G65-H67 VanDerWaalsContact C-N 3.35Å; G65-A68 PolarHBondContact O-N 3.08Å; G65-A69 WeakPolarHBondContact O-CB 3.24Å; G65-A69 PolarHBondContact O-N 3.41Å |
| 66 | D | 71.3 | Confident | 64.5 | Low | 92 Ų | 92 | 105.8 Ų | 105.8 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.5 | -37.3 | 176.4 | -74.7 | -16.3 | 0 | 0 | 0 | 111.7 | L62 D63 R70 | L62-D66 WeakPolarHBondContact O-CB 3.27Å; L62-D66 PolarHBondContact O-N 2.91Å; D63-D66 PolarHBondContact O-N 3.2Å; D66-R70 WeakPolarHBondContact O-CD 3.18Å; D66-R70 VanDerWaalsContact O-CG 3.27Å; D66-R70 WeakPolarHBondContact O-CG 3.35Å; D66-R70 PolarHBondContact O-N 3.04Å |
| 67 | H | 69.2 | Low | 63.7 | Low | 130 Ų | 130 | 109.8 Ų | 109.8 | 60% | 0.602 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.2 | -47.7 | 174.6 | -172.2 | 72 | 0 | 0 | 0 | 111.7 | D63 C64 G65 A69 R70 T71 | D63-H67 WeakPolarHBondContact O-CB 3.38Å; D63-H67 PolarHBondContact O-N 3.09Å; C64-H67 PolarHBondContact O-N 2.92Å; G65-H67 VanDerWaalsContact C-N 3.35Å; H67-A69 VanDerWaalsContact C-N 3.31Å; H67-A69 PolarHBondContact O-N 3.26Å; H67-R70 PolarHBondContact O-N 3.1Å; H67-R70 VanDerWaalsContact O-N 3.13Å; H67-T71 PolarHBondContact O-N 3.07Å; H67-T71 VanDerWaalsContact O-N 3.13Å; H67-T71 PolarHBondContact O-OG1 3.06Å |
| 68 | A | 68 | Low | 64 | Low | 64 Ų | 64 | 111.9 Ų | 111.9 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.6 | -37.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C64 G65 R70 T71 | C64-A68 WeakPolarHBondContact O-CB 3.32Å; C64-A68 PolarHBondContact O-N 3.23Å; G65-A68 PolarHBondContact O-N 3.08Å; A68-R70 PolarHBondContact O-N 2.98Å; A68-T71 PolarHBondContact O-N 3.24Å |
| 69 | A | 69.5 | Low | 64.1 | Low | 89 Ų | 89 | 110.2 Ų | 110.2 | 74% | 0.736 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.8 | -20.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | G65 H67 | G65-A69 WeakPolarHBondContact O-CB 3.24Å; G65-A69 PolarHBondContact O-N 3.41Å; H67-A69 VanDerWaalsContact C-N 3.31Å; H67-A69 PolarHBondContact O-N 3.26Å |
| 70 | R | 68.4 | Low | 64 | Low | 204 Ų | 204 | 111.6 Ų | 111.6 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -99.7 | -9 | 178.2 | -65.9 | 171.7 | -167.9 | -86 | 0.2 | 113.2 | D66 H67 A68 | D66-R70 WeakPolarHBondContact O-CD 3.18Å; D66-R70 VanDerWaalsContact O-CG 3.27Å; D66-R70 WeakPolarHBondContact O-CG 3.35Å; D66-R70 PolarHBondContact O-N 3.04Å; H67-R70 PolarHBondContact O-N 3.1Å; H67-R70 VanDerWaalsContact O-N 3.13Å; A68-R70 PolarHBondContact O-N 2.98Å |
| 71 | T | 64 | Low | 63.7 | Low | 71 Ų | 71 | 114.8 Ų | 114.8 | 44% | 0.436 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -95 | 114.6 | -177.3 | -52.3 | 0 | 0 | 0 | 0 | 108 | H67 A68 | H67-T71 PolarHBondContact O-N 3.07Å; H67-T71 VanDerWaalsContact O-N 3.13Å; H67-T71 PolarHBondContact O-OG1 3.06Å; A68-T71 PolarHBondContact O-N 3.24Å |
| 72 | E | 59.9 | Low | 63.5 | Low | 159 Ų | 159 | 117.2 Ų | 117.2 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | | | trans | -54.6 | 140 | 171.3 | -69.8 | -67.7 | 133.7 | 0 | 0 | 109.6 | V74 | E72-V74 PolarHBondContact O-N 3.21Š|
| 73 | P | 58.8 | Low | 63 | Low | 113 Ų | 113 | 120.3 Ų | 120.3 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | | | trans | -60.8 | 112.5 | 175.6 | 25.9 | -32.3 | 0 | 0 | 0 | 108.5 | E75 | P73-E75 PolarHBondContact O-N 3.13Š|
| 74 | V | 59 | Low | 62.2 | Low | 123 Ų | 123 | 120.6 Ų | 120.6 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | | | trans | -70.8 | 105.3 | 169.5 | -179.8 | 0 | 0 | 0 | 0 | 106.5 | E72 L76 | E72-V74 PolarHBondContact O-N 3.21Å; V74-L76 PolarHBondContact O-N 3.41Å; V74-L76 VanDerWaalsContact O-N 3.1Å |
| 75 | E | 44.5 | Very low | 61.5 | Low | 184 Ų | 184 | 123.5 Ų | 123.5 | 86% | 0.86 | 72% | 0.716 | S | S | * | * | | | trans | -62.1 | 111.8 | 166.1 | -71.2 | -149.2 | 125.8 | 0 | 0 | 108.1 | P73 A77 | P73-E75 PolarHBondContact O-N 3.13Å; E75-A77 PolarHBondContact O-N 3.14Å; E75-A77 VanDerWaalsContact O-N 3.14Å |
| 76 | L | 50.9 | Low | 60.7 | Low | 170 Ų | 170 | 130.9 Ų | 130.9 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | | | trans | -71.1 | 103.3 | 168 | -78.4 | 126.1 | 0 | 0 | 0 | 107.6 | V74 | V74-L76 PolarHBondContact O-N 3.41Å; V74-L76 VanDerWaalsContact O-N 3.1Å |
| 77 | A | 44.7 | Very low | 59.7 | Low | 172 Ų | 172 | 134.5 Ų | 134.5 | 100% | 1.421 | 77% | 0.77 | S | S | * | * | | | trans | -68.9 | 0 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E75 | E75-A77 PolarHBondContact O-N 3.14Å; E75-A77 VanDerWaalsContact O-N 3.14Å |