| 1 | M | 56.6 | Low | 62.9 | Low | 234 Ų | 234 | 160.3 Ų | 160.3 | 100% | 1.153 | 83% | 0.831 | S | S | * | * | | | | 0 | 106.4 | 0 | -65.4 | -63.4 | -82.4 | 0 | 0 | 107.7 | | |
| 2 | C | 55.3 | Low | 63.6 | Low | 130 Ų | 130 | 160.4 Ų | 160.4 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | | | trans | -96.1 | 116.7 | 178.9 | -57.8 | 0 | 0 | 0 | 0 | 108.9 | R4 | C2-R4 PolarHBondContact O-N 2.9Š|
| 3 | L | 65.7 | Low | 64.3 | Low | 169 Ų | 169 | 157.8 Ų | 157.8 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | | | trans | -77.9 | 116.7 | 175.2 | -66.5 | 175.5 | 0 | 0 | 0 | 108.7 | V5 | L3-V5 PolarHBondContact O-N 2.71Š|
| 4 | R | 60.8 | Low | 64.5 | Low | 240 Ų | 240 | 160 Ų | 160 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | | | trans | -73.4 | 114.5 | 173.8 | -61.8 | 177.5 | -179.7 | 172.9 | -1.4 | 107.6 | C2 K6 | C2-R4 PolarHBondContact O-N 2.9Å; R4-K6 PolarHBondContact O-N 3.03Å |
| 5 | V | 61.8 | Low | 65 | Low | 135 Ų | 135 | 157.3 Ų | 157.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -65.1 | 115 | 167.8 | 171.8 | 0 | 0 | 0 | 0 | 106.6 | L3 | L3-V5 PolarHBondContact O-N 2.71Š|
| 6 | K | 61.7 | Low | 65.5 | Low | 191 Ų | 191 | 156.6 Ų | 156.6 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | | | trans | -70.5 | 127.5 | 165.4 | -79.8 | -177.6 | 163.9 | -174.4 | 0 | 106.3 | R4 E8 | R4-K6 PolarHBondContact O-N 3.03Å; K6-E8 PolarHBondContact O-N 2.7Å |
| 7 | D | 61.5 | Low | 65.9 | Low | 166 Ų | 166 | 150.3 Ų | 150.3 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -43.9 | 106.3 | 170 | -89 | -92.1 | 0 | 0 | 0 | 109.6 | E9 | D7-E9 PolarHBondContact O-N 2.89Š|
| 8 | E | 61.4 | Low | 66.2 | Low | 176 Ų | 176 | 149.7 Ų | 149.7 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -75.9 | 111.7 | 175.5 | -167.3 | 179.6 | 138.7 | 0 | 0 | 106.2 | K6 | K6-E8 PolarHBondContact O-N 2.7Š|
| 9 | E | 69.3 | Low | 66.7 | Low | 143 Ų | 143 | 151.6 Ų | 151.6 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | | | trans | -56.1 | 126.8 | 173.4 | -172.4 | -88.3 | 140.2 | 0 | 0 | 108.2 | D7 A11 | D7-E9 PolarHBondContact O-N 2.89Å; E9-A11 PolarHBondContact O-N 2.86Å |
| 10 | P | 65.3 | Low | 67.1 | Low | 105 Ų | 105 | 156.4 Ų | 156.4 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | | | trans | -66.4 | 104.6 | -173.2 | 26.2 | -33.6 | 0 | 0 | 0 | 109.2 | Q12 | P10-Q12 PolarHBondContact O-N 3.14Š|
| 11 | A | 72.1 | Confident | 67.4 | Low | 74 Ų | 74 | 156.3 Ų | 156.3 | 61% | 0.612 | 79% | 0.792 | S | S | * | * | | | trans | -50.8 | 117.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110 | E9 V13 | E9-A11 PolarHBondContact O-N 2.86Å; A11-V13 WeakPolarHBondContact O-CG2 3.43Å; A11-V13 PolarHBondContact O-N 3.22Å |
| 12 | Q | 71.3 | Confident | 68.3 | Low | 162 Ų | 162 | 150.6 Ų | 150.6 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | | | trans | -62.4 | 104.9 | 172.3 | -82.3 | -159 | -13.8 | 0 | 0 | 109.4 | P10 Y14 | P10-Q12 PolarHBondContact O-N 3.14Å; Q12-Y14 PolarHBondContact O-N 3.35Å |
| 13 | V | 72.6 | Confident | 69.1 | Low | 127 Ų | 127 | 149.1 Ų | 149.1 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | trans | -83.4 | 113.8 | 172.8 | -163.2 | 0 | 0 | 0 | 0 | 108 | A11 | A11-V13 WeakPolarHBondContact O-CG2 3.43Å; A11-V13 PolarHBondContact O-N 3.22Å |
| 14 | Y | 68.3 | Low | 69.4 | Low | 188 Ų | 188 | 144 Ų | 144 | 74% | 0.737 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -65 | 145 | 172.9 | -75.4 | -85 | 0 | 0 | 0 | 110.4 | Q12 E16 | Q12-Y14 PolarHBondContact O-N 3.35Å; Y14-E16 PolarHBondContact O-N 3.42Å |
| 15 | P | 70.7 | Confident | 69.8 | Low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 130.9 | 177.1 | 22.5 | -29.9 | 0 | 0 | 0 | 110.3 | G17 | P15-G17 PolarHBondContact O-N 3.3Š|
| 16 | E | 73.4 | Confident | 70.2 | Confident | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 121.2 | 175.5 | -71.5 | -75.8 | 128.5 | 0 | 0 | 109.7 | Y14 R19 | Y14-E16 PolarHBondContact O-N 3.42Å; E16-R19 IonicContact OE2-NH1 3.72Å |
| 17 | G | 72.3 | Confident | 70.7 | Confident | 50 Ų | 50 | 127.4 Ų | 127.4 | 52% | 0.515 | 67% | 0.671 | S | S | . | * | | | trans | -58.9 | -178 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P15 R19 | P15-G17 PolarHBondContact O-N 3.3Å; G17-R19 PolarHBondContact O-N 2.95Å |
| 18 | P | 71.1 | Confident | 71.6 | Confident | 139 Ų | 139 | 123.2 Ų | 123.2 | 90% | 0.903 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -51.9 | 101.9 | -171.7 | -24.6 | 32.6 | 0 | 0 | 0 | 112 | R20 | P18-R20 PolarHBondContact O-N 3.04Š|
| 19 | R | 76.1 | Confident | 72.3 | Confident | 186 Ų | 186 | 124.1 Ų | 124.1 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 125 | -176.3 | -68 | -178.8 | 74.4 | 85.8 | -5.3 | 108 | E16 G17 H21 | E16-R19 IonicContact OE2-NH1 3.72Å; G17-R19 PolarHBondContact O-N 2.95Å; R19-H21 PolarHBondContact O-N 3.09Å |
| 20 | R | 75.1 | Confident | 72.8 | Confident | 248 Ų | 248 | 123.5 Ų | 123.5 | 94% | 0.936 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 123 | 173.8 | -60.6 | -178.4 | 108.9 | 174 | 4.4 | 107.8 | P18 H22 | P18-R20 PolarHBondContact O-N 3.04Å; R20-H22 PolarHBondContact O-N 3.41Å |
| 21 | H | 74.2 | Confident | 73.6 | Confident | 155 Ų | 155 | 125.3 Ų | 125.3 | 72% | 0.718 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 134.2 | -178.7 | -74.3 | -75.7 | 0 | 0 | 0 | 110.7 | R19 | R19-H21 PolarHBondContact O-N 3.09Š|
| 22 | H | 74.6 | Confident | 74.2 | Confident | 113 Ų | 113 | 128.3 Ų | 128.3 | 52% | 0.523 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 143.4 | 176 | -169.7 | -94.7 | 0 | 0 | 0 | 108.6 | R20 S24 D25 | R20-H22 PolarHBondContact O-N 3.41Å; H22-S24 PolarHBondContact ND1-N 3.04Å; H22-S24 PolarHBondContact ND1-OG 3.2Å; H22-S24 PolarHBondContact O-N 2.98Å; H22-D25 WeakPolarHBondContact CB-OD2 3.47Å; H22-D25 PolarHBondContact N-OD2 3.05Å; H22-D25 VanDerWaalsContact N-OD2 3.14Å; H22-D25 WeakPolarHBondContact O-CB 3.32Å; H22-D25 PolarHBondContact O-N 3.44Å |
| 23 | P | 71.8 | Confident | 74.9 | Confident | 100 Ų | 100 | 128.6 Ų | 128.6 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -55.3 | -26.2 | -179 | 16.4 | -30.6 | 0 | 0 | 0 | 114.3 | D25 V26 S27 | P23-D25 VanDerWaalsContact C-N 3.34Å; P23-V26 PolarHBondContact O-N 2.83Å; P23-S27 PolarHBondContact O-N 3.23Å |
| 24 | S | 72.3 | Confident | 75.3 | Confident | 60 Ų | 60 | 130.2 Ų | 130.2 | 42% | 0.42 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.1 | -35.1 | 172.1 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | H22 V26 S27 T28 | H22-S24 PolarHBondContact ND1-N 3.04Å; H22-S24 PolarHBondContact ND1-OG 3.2Å; H22-S24 PolarHBondContact O-N 2.98Å; S24-V26 VanDerWaalsContact C-N 3.31Å; S24-V26 PolarHBondContact O-N 3.35Å; S24-S27 WeakPolarHBondContact O-CB 3.42Å; S24-S27 PolarHBondContact O-N 3.42Å; S24-T28 PolarHBondContact O-N 3.33Å |
| 25 | D | 70.1 | Confident | 76 | Confident | 75 Ų | 75 | 127.3 Ų | 127.3 | 40% | 0.401 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.7 | -29 | -179.6 | -57.2 | -44.4 | 0 | 0 | 0 | 112 | H22 P23 S27 T28 R29 | H22-D25 WeakPolarHBondContact CB-OD2 3.47Å; H22-D25 PolarHBondContact N-OD2 3.05Å; H22-D25 VanDerWaalsContact N-OD2 3.14Å; H22-D25 WeakPolarHBondContact O-CB 3.32Å; H22-D25 PolarHBondContact O-N 3.44Å; P23-D25 VanDerWaalsContact C-N 3.34Å; D25-S27 VanDerWaalsContact C-N 3.34Å; D25-T28 PolarHBondContact O-OG1 3.22Å; D25-R29 PolarHBondContact O-N 3.45Å |
| 26 | V | 69.5 | Low | 76.5 | Confident | 71 Ų | 71 | 126.1 Ų | 126.1 | 43% | 0.43 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.5 | -39.1 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | P23 S24 Q30 | P23-V26 PolarHBondContact O-N 2.83Å; S24-V26 VanDerWaalsContact C-N 3.31Å; S24-V26 PolarHBondContact O-N 3.35Å; V26-Q30 VanDerWaalsContact O-CG 3.29Å; V26-Q30 WeakPolarHBondContact O-CG 3.25Å; V26-Q30 PolarHBondContact O-N 3.05Å; V26-Q30 VanDerWaalsContact O-N 3.07Å |
| 27 | S | 72.7 | Confident | 76.9 | Confident | 73 Ų | 73 | 121 Ų | 121 | 51% | 0.51 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.8 | -41.2 | 179.7 | -173.9 | 0 | 0 | 0 | 0 | 112.6 | P23 S24 D25 Q30 K31 | P23-S27 PolarHBondContact O-N 3.23Å; S24-S27 WeakPolarHBondContact O-CB 3.42Å; S24-S27 PolarHBondContact O-N 3.42Å; D25-S27 VanDerWaalsContact C-N 3.34Å; S27-Q30 PolarHBondContact O-N 3.4Å; S27-K31 WeakPolarHBondContact O-CB 3.01Å; S27-K31 PolarHBondContact O-N 3.05Å |
| 28 | T | 78.9 | Confident | 77.1 | Confident | 77 Ų | 77 | 124.7 Ų | 124.7 | 47% | 0.472 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64 | -46.7 | 176.8 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | S24 D25 Q30 K31 E32 | S24-T28 PolarHBondContact O-N 3.33Å; D25-T28 PolarHBondContact O-OG1 3.22Å; T28-Q30 VanDerWaalsContact C-N 3.34Å; T28-Q30 PolarHBondContact O-N 3.14Å; T28-K31 WeakPolarHBondContact O-CB 3.5Å; T28-K31 PolarHBondContact O-N 3.11Å; T28-K31 VanDerWaalsContact O-N 3.14Å; T28-E32 WeakPolarHBondContact O-CG 3.46Å; T28-E32 PolarHBondContact O-N 2.88Å |
| 29 | R | 77.6 | Confident | 77.1 | Confident | 196 Ų | 196 | 125.9 Ų | 125.9 | 74% | 0.74 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.3 | -40.6 | 177.7 | -169.6 | 178.1 | -178 | -152.7 | 1.1 | 112.7 | D25 K33 | D25-R29 PolarHBondContact O-N 3.45Å; R29-K33 PolarHBondContact O-N 3.25Å; R29-K33 VanDerWaalsContact O-N 3.11Å |
| 30 | Q | 79.1 | Confident | 76.8 | Confident | 129 Ų | 129 | 124.7 Ų | 124.7 | 60% | 0.603 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.7 | -40.1 | 175.8 | -74.3 | 177 | -14.6 | 0 | 0 | 112.3 | V26 S27 T28 K33 R34 | V26-Q30 VanDerWaalsContact O-CG 3.29Å; V26-Q30 WeakPolarHBondContact O-CG 3.25Å; V26-Q30 PolarHBondContact O-N 3.05Å; V26-Q30 VanDerWaalsContact O-N 3.07Å; S27-Q30 PolarHBondContact O-N 3.4Å; T28-Q30 VanDerWaalsContact C-N 3.34Å; T28-Q30 PolarHBondContact O-N 3.14Å; Q30-K33 PolarHBondContact O-N 3.37Å; Q30-R34 PolarHBondContact O-N 3.09Å; Q30-R34 VanDerWaalsContact O-N 3.09Å |
| 31 | K | 82.8 | Confident | 76.5 | Confident | 144 Ų | 144 | 116.6 Ų | 116.6 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.9 | -42.4 | 177.4 | -176 | -179.6 | 178.9 | -177.9 | 0 | 111.8 | S27 T28 R34 K35 | S27-K31 WeakPolarHBondContact O-CB 3.01Å; S27-K31 PolarHBondContact O-N 3.05Å; T28-K31 WeakPolarHBondContact O-CB 3.5Å; T28-K31 PolarHBondContact O-N 3.11Å; T28-K31 VanDerWaalsContact O-N 3.14Å; K31-R34 PolarHBondContact O-N 3.48Å; K31-K35 PolarHBondContact O-N 2.77Å |
| 32 | E | 83.4 | Confident | 76.3 | Confident | 136 Ų | 136 | 118.6 Ų | 118.6 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.1 | -46.7 | 177.6 | -71.7 | 179 | 170.3 | 0 | 0 | 112.2 | T28 R34 K35 L36 | T28-E32 WeakPolarHBondContact O-CG 3.46Å; T28-E32 PolarHBondContact O-N 2.88Å; E32-R34 VanDerWaalsContact C-N 3.27Å; E32-R34 PolarHBondContact O-N 3.48Å; E32-K35 WeakPolarHBondContact O-CB 3.49Å; E32-K35 PolarHBondContact O-N 3.44Å; E32-K35 VanDerWaalsContact O-N 3.09Å; E32-L36 PolarHBondContact O-N 2.87Å |
| 33 | K | 85.5 | Confident | 75.9 | Confident | 169 Ų | 169 | 118.3 Ų | 118.3 | 74% | 0.735 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -54.9 | -44.2 | 174.8 | -173.9 | -174.2 | 176.9 | -166.6 | 0 | 111.5 | R29 Q30 L36 G37 | R29-K33 PolarHBondContact O-N 3.25Å; R29-K33 VanDerWaalsContact O-N 3.11Å; Q30-K33 PolarHBondContact O-N 3.37Å; K33-L36 PolarHBondContact O-N 3.37Å; K33-G37 PolarHBondContact O-N 3.04Å |
| 34 | R | 82.3 | Confident | 75.5 | Confident | 161 Ų | 161 | 120.3 Ų | 120.3 | 61% | 0.608 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.4 | -39.6 | 177.8 | -172.4 | 176.6 | 67.3 | -172.6 | 0.9 | 112.5 | Q30 K31 E32 K38 | Q30-R34 PolarHBondContact O-N 3.09Å; Q30-R34 VanDerWaalsContact O-N 3.09Å; K31-R34 PolarHBondContact O-N 3.48Å; E32-R34 VanDerWaalsContact C-N 3.27Å; E32-R34 PolarHBondContact O-N 3.48Å; R34-K38 WeakPolarHBondContact O-CG 3.21Å; R34-K38 PolarHBondContact O-N 3.07Å |
| 35 | K | 82.3 | Confident | 75.3 | Confident | 127 Ų | 127 | 123 Ų | 123 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.8 | -41.7 | 177.4 | -174.3 | -179.8 | -179.4 | -177.1 | 0 | 111.2 | K31 E32 K38 R39 | K31-K35 PolarHBondContact O-N 2.77Å; E32-K35 WeakPolarHBondContact O-CB 3.49Å; E32-K35 PolarHBondContact O-N 3.44Å; E32-K35 VanDerWaalsContact O-N 3.09Å; K35-K38 PolarHBondContact O-N 3.27Å; K35-R39 WeakPolarHBondContact O-CG 3.46Å; K35-R39 PolarHBondContact O-N 3.46Å |
| 36 | L | 81.3 | Confident | 75.2 | Confident | 93 Ų | 93 | 126.6 Ų | 126.6 | 49% | 0.487 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.4 | -47.2 | 177.3 | -169.3 | 62.9 | 0 | 0 | 0 | 111.3 | E32 K33 K38 R39 F40 | E32-L36 PolarHBondContact O-N 2.87Å; K33-L36 PolarHBondContact O-N 3.37Å; L36-K38 VanDerWaalsContact C-N 3.3Å; L36-K38 PolarHBondContact O-N 3.14Å; L36-R39 WeakPolarHBondContact O-CB 3.44Å; L36-R39 PolarHBondContact O-N 3.18Å; L36-F40 HydrophobicContact CD1-CD2 4.04Å; L36-F40 HydrophobicContact CD1-CE2 3.33Å; L36-F40 HydrophobicContact CD1-CZ 4.15Å; L36-F40 HydrophobicContact CD2-CE2 4.28Å; L36-F40 HydrophobicContact CG-CD2 3.94Å; L36-F40 HydrophobicContact CG-CE2 3.56Å; L36-F40 WeakPolarHBondContact O-CD2 3.14Å; L36-F40 PolarHBondContact O-N 2.77Å |
| 37 | G | 81.4 | Confident | 75.1 | Confident | 39 Ų | 39 | 128 Ų | 128 | 40% | 0.402 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -57.6 | -40.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K33 R39 F40 A41 | K33-G37 PolarHBondContact O-N 3.04Å; G37-R39 VanDerWaalsContact C-N 3.32Å; G37-R39 PolarHBondContact O-N 3.27Å; G37-F40 PolarHBondContact O-N 3.17Å; G37-A41 WeakPolarHBondContact O-CB 3.42Å; G37-A41 PolarHBondContact O-N 3.3Å |
| 38 | K | 77.9 | Confident | 74.9 | Confident | 127 Ų | 127 | 132.1 Ų | 132.1 | 55% | 0.552 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.6 | -29.6 | 175.6 | -74.7 | 178.8 | 177.9 | -166.4 | 0 | 114.1 | R34 K35 L36 R42 | R34-K38 WeakPolarHBondContact O-CG 3.21Å; R34-K38 PolarHBondContact O-N 3.07Å; K35-K38 PolarHBondContact O-N 3.27Å; L36-K38 VanDerWaalsContact C-N 3.3Å; L36-K38 PolarHBondContact O-N 3.14Å; K38-R42 WeakPolarHBondContact O-CB 3.49Å; K38-R42 VanDerWaalsContact O-CG 3.25Å; K38-R42 WeakPolarHBondContact O-CG 3.34Å; K38-R42 PolarHBondContact O-N 3.45Å |
| 39 | R | 69.9 | Low | 74.3 | Confident | 164 Ų | 164 | 133.2 Ų | 133.2 | 62% | 0.619 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.4 | -39.4 | 176.7 | -75.5 | 176.1 | 173.3 | -175 | -6 | 111.4 | K35 L36 G37 | K35-R39 WeakPolarHBondContact O-CG 3.46Å; K35-R39 PolarHBondContact O-N 3.46Å; L36-R39 WeakPolarHBondContact O-CB 3.44Å; L36-R39 PolarHBondContact O-N 3.18Å; G37-R39 VanDerWaalsContact C-N 3.32Å; G37-R39 PolarHBondContact O-N 3.27Å |
| 40 | F | 69.3 | Low | 73.8 | Confident | 161 Ų | 161 | 127 Ų | 127 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -83.7 | -30.9 | 179.7 | -66.3 | -65.3 | 0 | 0 | 0 | 113.5 | L36 G37 R42 | L36-F40 HydrophobicContact CD1-CD2 4.04Å; L36-F40 HydrophobicContact CD1-CE2 3.33Å; L36-F40 HydrophobicContact CD1-CZ 4.15Å; L36-F40 HydrophobicContact CD2-CE2 4.28Å; L36-F40 HydrophobicContact CG-CD2 3.94Å; L36-F40 HydrophobicContact CG-CE2 3.56Å; L36-F40 WeakPolarHBondContact O-CD2 3.14Å; L36-F40 PolarHBondContact O-N 2.77Å; G37-F40 PolarHBondContact O-N 3.17Å; F40-R42 PolarHBondContact O-N 3.48Å |
| 41 | A | 70.3 | Confident | 73.1 | Confident | 79 Ų | 79 | 127.1 Ų | 127.1 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -77.5 | -7.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G37 P43 | G37-A41 WeakPolarHBondContact O-CB 3.42Å; G37-A41 PolarHBondContact O-N 3.3Å; A41-P43 VanDerWaalsContact C-CD 3.41Å; A41-P43 WeakPolarHBondContact O-CD 3.36Å |
| 42 | R | 68.7 | Low | 72.1 | Confident | 196 Ų | 196 | 127.5 Ų | 127.5 | 74% | 0.74 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -96 | 86.7 | 166.9 | -76.4 | 179.7 | 149.6 | 178.7 | -7.8 | 107.3 | K38 F40 N44 | K38-R42 WeakPolarHBondContact O-CB 3.49Å; K38-R42 VanDerWaalsContact O-CG 3.25Å; K38-R42 WeakPolarHBondContact O-CG 3.34Å; K38-R42 PolarHBondContact O-N 3.45Å; F40-R42 PolarHBondContact O-N 3.48Å; R42-N44 PolarHBondContact O-N 3.42Å |
| 43 | P | 66.6 | Low | 70.8 | Confident | 108 Ų | 108 | 131.5 Ų | 131.5 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | | | trans | -52.9 | 132.1 | 160.9 | 26 | -31.7 | 0 | 0 | 0 | 106 | A41 | A41-P43 VanDerWaalsContact C-CD 3.41Å; A41-P43 WeakPolarHBondContact O-CD 3.36Å |
| 44 | N | 64.3 | Low | 69.2 | Low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | | | trans | -46.8 | 132.7 | 172.7 | -73 | -30.3 | 0 | 0 | 0 | 107.1 | R42 I46 | R42-N44 PolarHBondContact O-N 3.42Å; N44-I46 PolarHBondContact O-N 3.34Å |
| 45 | P | 68.3 | Low | 68.6 | Low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | | | trans | -52.2 | 115.4 | 174.2 | 21.7 | -30.4 | 0 | 0 | 0 | 106.3 | P47 | P45-P47 WeakPolarHBondContact O-CD 3.29Å; P45-P47 VanDerWaalsContact O-N 3.14Å |
| 46 | I | 67.5 | Low | 67.8 | Low | 150 Ų | 150 | 131.1 Ų | 131.1 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | | | trans | -57.1 | 121.6 | 171.9 | -65.1 | 166 | 0 | 0 | 0 | 103.4 | N44 D48 | N44-I46 PolarHBondContact O-N 3.34Å; I46-D48 PolarHBondContact O-N 3.24Å |
| 47 | P | 66.1 | Low | 67.1 | Low | 101 Ų | 101 | 133.2 Ų | 133.2 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | | | trans | -55.8 | 123 | 175.5 | 23.4 | -31.4 | 0 | 0 | 0 | 106.2 | P45 T49 | P45-P47 WeakPolarHBondContact O-CD 3.29Å; P45-P47 VanDerWaalsContact O-N 3.14Å; P47-T49 PolarHBondContact O-N 3.04Å |
| 48 | D | 68.6 | Low | 66.2 | Low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | | | trans | -63.9 | 86.6 | 176.5 | -152.5 | -38.6 | 0 | 0 | 0 | 106.3 | I46 G50 | I46-D48 PolarHBondContact O-N 3.24Å; D48-G50 PolarHBondContact O-N 2.9Å |
| 49 | T | 66.6 | Low | 65.5 | Low | 100 Ų | 100 | 139.4 Ų | 139.4 | 61% | 0.613 | 75% | 0.747 | S | S | * | * | | | trans | -67.4 | 96.8 | 171 | 38.9 | 0 | 0 | 0 | 0 | 103.9 | P47 I51 | P47-T49 PolarHBondContact O-N 3.04Å; T49-I51 WeakPolarHBondContact O-CG1 3.46Å; T49-I51 PolarHBondContact O-N 2.94Å |
| 50 | G | 67.1 | Low | 65.2 | Low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | trans | -60.2 | 80.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | D48 L52 | D48-G50 PolarHBondContact O-N 2.9Å; G50-L52 PolarHBondContact O-N 2.88Å |
| 51 | I | 65.1 | Low | 64.9 | Low | 131 Ų | 131 | 136.1 Ų | 136.1 | 67% | 0.672 | 76% | 0.759 | S | S | * | * | | | trans | -76.9 | 79.9 | 170.8 | -55.2 | 170.7 | 0 | 0 | 0 | 106.1 | T49 W53 | T49-I51 WeakPolarHBondContact O-CG1 3.46Å; T49-I51 PolarHBondContact O-N 2.94Å; I51-W53 VanDerWaalsContact C-N 3.31Å; I51-W53 PolarHBondContact O-N 3.35Å; I51-W53 VanDerWaalsContact O-N 3.14Å |
| 52 | L | 61.7 | Low | 64.5 | Low | 151 Ų | 151 | 140.5 Ų | 140.5 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -66.7 | 92.1 | 156.4 | -176.7 | 78.4 | 0 | 0 | 0 | 106.7 | G50 T54 | G50-L52 PolarHBondContact O-N 2.88Å; L52-T54 HydrophobicContact CG-CG2 4.47Å |
| 53 | W | 55.6 | Low | 64.2 | Low | 220 Ų | 220 | 135.9 Ų | 135.9 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | | | trans | -92.3 | 96.3 | 161.8 | 50.9 | -82.8 | 0 | 0 | 0 | 107.7 | I51 | I51-W53 VanDerWaalsContact C-N 3.31Å; I51-W53 PolarHBondContact O-N 3.35Å; I51-W53 VanDerWaalsContact O-N 3.14Å |
| 54 | T | 52.3 | Low | 63.9 | Low | 186 Ų | 186 | 138.5 Ų | 138.5 | 100% | 1.141 | 78% | 0.776 | S | S | * | * | | | trans | -69 | 0 | 150.4 | 45.2 | 0 | 0 | 0 | 0 | 110.4 | L52 | L52-T54 HydrophobicContact CG-CG2 4.47Š|