| 1 | M | 38.8 | Very low | 47.9 | Very low | 246 Ų | 246 | 138.3 Ų | 138.3 | 100% | 1.212 | 79% | 0.789 | S | S | * | * | | | | 0 | 93.2 | 0 | -133.4 | 162.9 | 178.6 | 0 | 0 | 106.9 | | |
| 2 | M | 34.7 | Very low | 48 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | | | trans | -79.8 | 127.7 | 177.9 | -75 | 161.1 | 66.8 | 0 | 0 | 107.7 | S4 | M2-S4 PolarHBondContact O-N 2.98Š|
| 3 | P | 48.3 | Very low | 48.6 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | -65.9 | 113.8 | 172.6 | 26.7 | -29.6 | 0 | 0 | 0 | 107 | C5 | P3-C5 PolarHBondContact O-N 2.81Š|
| 4 | S | 46.6 | Very low | 49.1 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | trans | -53.4 | 109.2 | 167.4 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | M2 N6 | M2-S4 PolarHBondContact O-N 2.98Å; S4-N6 PolarHBondContact O-N 2.87Å |
| 5 | C | 50.6 | Low | 49.3 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | | | trans | -78.6 | 78.8 | 178.3 | -149.8 | 0 | 0 | 0 | 0 | 107.4 | P3 R7 | P3-C5 PolarHBondContact O-N 2.81Å; C5-R7 PolarHBondContact O-N 2.97Å |
| 6 | N | 52.8 | Low | 49.8 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | -69.2 | 70.5 | 165 | -92.6 | -32.2 | 0 | 0 | 0 | 108.5 | S4 S8 | S4-N6 PolarHBondContact O-N 2.87Å; N6-S8 VanDerWaalsContact C-N 3.3Å; N6-S8 PolarHBondContact O-N 3.37Å |
| 7 | R | 52 | Low | 50.1 | Low | 217 Ų | 217 | 128.2 Ų | 128.2 | 82% | 0.819 | 74% | 0.74 | S | S | * | * | | | trans | -83.7 | 85.4 | 160.6 | -83.4 | -174.2 | -177.3 | -166.8 | 0.6 | 106.9 | C5 C9 | C5-R7 PolarHBondContact O-N 2.97Å; R7-C9 PolarHBondContact O-N 3.09Å |
| 8 | S | 50.1 | Low | 50.8 | Low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | trans | -61 | 80.4 | 149.4 | 17.3 | 0 | 0 | 0 | 0 | 107 | N6 S10 | N6-S8 VanDerWaalsContact C-N 3.3Å; N6-S8 PolarHBondContact O-N 3.37Å; S8-S10 VanDerWaalsContact C-N 3.3Å; S8-S10 PolarHBondContact O-N 3.07Å |
| 9 | C | 51.2 | Low | 51 | Low | 88 Ų | 88 | 131.8 Ų | 131.8 | 60% | 0.595 | 75% | 0.748 | S | S | * | * | | | trans | -70.2 | 100.9 | 161.3 | -165.6 | 0 | 0 | 0 | 0 | 105.8 | R7 C11 | R7-C9 PolarHBondContact O-N 3.09Å; C9-C11 HydrophobicContact CB-CB 4.28Å; C9-C11 WeakPolarHBondContact CB-SG 3.5Å; C9-C11 PolarHBondContact O-N 3.5Å; C9-C11 WeakPolarHBondContact SG-CB 3.27Å; C9-C11 PolarHBondContact SG-N 3.27Å; C9-C11 VanDerWaalsContact SG-N 3.44Å; C9-C11 CovalentContact SG-SG 2.08Å; C9-C11 PolarHBondContact SG-SG 2.88Å |
| 10 | S | 51.2 | Low | 51.5 | Low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | -73.5 | 67.7 | 157.8 | -158.7 | 0 | 0 | 0 | 0 | 107.6 | S8 S12 | S8-S10 VanDerWaalsContact C-N 3.3Å; S8-S10 PolarHBondContact O-N 3.07Å; S10-S12 PolarHBondContact O-N 3.42Å |
| 11 | C | 50.8 | Low | 51.9 | Low | 103 Ų | 103 | 129.4 Ų | 129.4 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | | | trans | -78.1 | 55.3 | 167.9 | -68.9 | 0 | 0 | 0 | 0 | 106.8 | C9 R13 | C9-C11 HydrophobicContact CB-CB 4.28Å; C9-C11 WeakPolarHBondContact CB-SG 3.5Å; C9-C11 PolarHBondContact O-N 3.5Å; C9-C11 WeakPolarHBondContact SG-CB 3.27Å; C9-C11 PolarHBondContact SG-N 3.27Å; C9-C11 VanDerWaalsContact SG-N 3.44Å; C9-C11 CovalentContact SG-SG 2.08Å; C9-C11 PolarHBondContact SG-SG 2.88Å; C11-R13 PolarHBondContact O-N 3.42Å |
| 12 | S | 49.6 | Very low | 53 | Low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | trans | -84.1 | 4 | -176.6 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | S10 G14 | S10-S12 PolarHBondContact O-N 3.42Å; S12-G14 VanDerWaalsContact C-N 3.31Å; S12-G14 PolarHBondContact O-N 2.87Å |
| 13 | R | 55.2 | Low | 54.1 | Low | 237 Ų | 237 | 125.2 Ų | 125.2 | 89% | 0.894 | 70% | 0.701 | S | S | * | * | | | trans | -95.9 | 61.9 | 176.4 | -156.9 | 173.7 | -69.2 | -136.1 | 0.8 | 109.9 | C11 | C11-R13 PolarHBondContact O-N 3.42Š|
| 14 | G | 55.5 | Low | 54.9 | Low | 49 Ų | 49 | 121.6 Ų | 121.6 | 51% | 0.505 | 69% | 0.686 | S | S | . | * | | | trans | -61.6 | 146.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | S12 S16 | S12-G14 VanDerWaalsContact C-N 3.31Å; S12-G14 PolarHBondContact O-N 2.87Å; G14-S16 PolarHBondContact O-N 2.79Å |
| 15 | P | 52.7 | Low | 55.2 | Low | 101 Ų | 101 | 124.5 Ų | 124.5 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | | | trans | -51.9 | 130.3 | 174.8 | 22.8 | -32.2 | 0 | 0 | 0 | 108 | V17 | P15-V17 HydrophobicContact CB-CG2 4.28Å; P15-V17 HydrophobicContact CG-CG2 4.37Å; P15-V17 PolarHBondContact O-N 3.44Å |
| 16 | S | 57.1 | Low | 55.5 | Low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | | | trans | -69.9 | 75.1 | 178.6 | 69.1 | 0 | 0 | 0 | 0 | 108.9 | G14 | G14-S16 PolarHBondContact O-N 2.79Š|
| 17 | V | 55.2 | Low | 55.8 | Low | 57 Ų | 57 | 125.3 Ų | 125.3 | 35% | 0.345 | 68% | 0.683 | S | S | . | * | | | trans | -84.2 | 115.2 | 171 | 178.6 | 0 | 0 | 0 | 0 | 105.7 | P15 D19 K21 Y23 | P15-V17 HydrophobicContact CB-CG2 4.28Å; P15-V17 HydrophobicContact CG-CG2 4.37Å; P15-V17 PolarHBondContact O-N 3.44Å; V17-D19 PolarHBondContact O-N 3.5Å; V17-K21 HydrophobicContact CG1-CB 4.17Å; V17-K21 WeakPolarHBondContact CG1-O 3.22Å; V17-Y23 HydrophobicContact CB-CE2 4.47Å; V17-Y23 HydrophobicContact CG2-CD2 4.13Å; V17-Y23 HydrophobicContact CG2-CE1 4.48Å; V17-Y23 HydrophobicContact CG2-CE2 3.12Å; V17-Y23 WeakPolarHBondContact CG2-OH 3.04Å |
| 18 | E | 62.8 | Low | 56.1 | Low | 146 Ų | 146 | 123 Ų | 123 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | | | trans | -50.1 | 129.4 | 167.5 | -66.5 | -69.3 | 99.4 | 0 | 0 | 109 | G20 K21 | E18-G20 PolarHBondContact O-N 3.04Å; E18-K21 PolarHBondContact O-N 3.35Å |
| 19 | D | 54.2 | Low | 57 | Low | 179 Ų | 179 | 123 Ų | 123 | 96% | 0.957 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 115.8 | -177.6 | -145.2 | -64.4 | 0 | 0 | 0 | 109.2 | V17 | V17-D19 PolarHBondContact O-N 3.5Š|
| 20 | G | 61.2 | Low | 57.7 | Low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.2 | -0.6 | -177 | 0 | 0 | 0 | 0 | 0 | 117.1 | E18 | E18-G20 PolarHBondContact O-N 3.04Š|
| 21 | K | 59.4 | Low | 58.3 | Low | 149 Ų | 149 | 122.9 Ų | 122.9 | 65% | 0.648 | 65% | 0.647 | S | S | * | * | | | trans | -96.8 | 99.5 | 177.1 | -164 | 157.6 | 175.1 | 176.5 | 0 | 112.1 | V17 E18 Y23 | V17-K21 HydrophobicContact CG1-CB 4.17Å; V17-K21 WeakPolarHBondContact CG1-O 3.22Å; E18-K21 PolarHBondContact O-N 3.35Å; K21-Y23 PolarHBondContact O-N 3.15Å |
| 22 | W | 61.8 | Low | 59 | Low | 239 Ų | 239 | 122.7 Ų | 122.7 | 91% | 0.905 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 118.7 | 171.5 | -58.5 | 93.4 | 0 | 0 | 0 | 109.9 | G24 | W22-G24 PolarHBondContact O-N 3.44Š|
| 23 | Y | 59 | Low | 59.9 | Low | 103 Ų | 103 | 124.8 Ų | 124.8 | 40% | 0.404 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 124.9 | 169.3 | -70.1 | -61 | 0 | 0 | 0 | 109.4 | V17 K21 L31 | V17-Y23 HydrophobicContact CB-CE2 4.47Å; V17-Y23 HydrophobicContact CG2-CD2 4.13Å; V17-Y23 HydrophobicContact CG2-CE1 4.48Å; V17-Y23 HydrophobicContact CG2-CE2 3.12Å; V17-Y23 WeakPolarHBondContact CG2-OH 3.04Å; K21-Y23 PolarHBondContact O-N 3.15Å; Y23-L31 HydrophobicContact CD1-CD1 3.49Å; Y23-L31 VanDerWaalsContact CD1-CD1 3.49Å; Y23-L31 HydrophobicContact CD2-CD1 4.02Å; Y23-L31 HydrophobicContact CE1-CD1 3.31Å; Y23-L31 HydrophobicContact CE2-CD1 3.81Å; Y23-L31 HydrophobicContact CG-CD1 3.84Å; Y23-L31 VanDerWaalsContact CZ-CD1 3.46Å |
| 24 | G | 63.9 | Low | 60.3 | Low | 46 Ų | 46 | 119.1 Ų | 119.1 | 47% | 0.474 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 163.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W22 R26 S27 | W22-G24 PolarHBondContact O-N 3.44Å; G24-R26 PolarHBondContact O-N 3.03Å; G24-S27 WeakPolarHBondContact O-CA 2.98Å; G24-S27 VanDerWaalsContact O-CB 3.27Å; G24-S27 WeakPolarHBondContact O-CB 3.2Å; G24-S27 PolarHBondContact O-N 2.87Å |
| 25 | V | 53 | Low | 60.8 | Low | 159 Ų | 159 | 122.4 Ų | 122.4 | 96% | 0.964 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -20.7 | -175.2 | 179.6 | 0 | 0 | 0 | 0 | 113.4 | S27 | V25-S27 VanDerWaalsContact C-N 3.34Š|
| 26 | R | 56.3 | Low | 61.2 | Low | 222 Ų | 222 | 120.5 Ų | 120.5 | 84% | 0.838 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 4.3 | 174.8 | -92.8 | -152.2 | 55 | 168.5 | -8.3 | 116 | G24 | G24-R26 PolarHBondContact O-N 3.03Š|
| 27 | S | 59.6 | Low | 61.4 | Low | 42 Ų | 42 | 117.7 Ų | 117.7 | 29% | 0.294 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -123.3 | -8.1 | -165 | -59.6 | 0 | 0 | 0 | 0 | 114.1 | G24 V25 L31 | G24-S27 WeakPolarHBondContact O-CA 2.98Å; G24-S27 VanDerWaalsContact O-CB 3.27Å; G24-S27 WeakPolarHBondContact O-CB 3.2Å; G24-S27 PolarHBondContact O-N 2.87Å; V25-S27 VanDerWaalsContact C-N 3.34Å; S27-L31 WeakPolarHBondContact O-CB 3.28Å; S27-L31 WeakPolarHBondContact O-CD1 3.39Å; S27-L31 WeakPolarHBondContact O-CG 3.05Å; S27-L31 PolarHBondContact O-N 3.35Å |
| 28 | Y | 59.3 | Low | 61.4 | Low | 170 Ų | 170 | 117.6 Ų | 117.6 | 67% | 0.667 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -79.6 | -54.5 | 174.9 | -175.9 | -101.6 | 0 | 0 | 0 | 112.4 | H30 L31 F32 | Y28-H30 VanDerWaalsContact C-N 3.33Å; Y28-H30 PolarHBondContact O-N 3.03Å; Y28-L31 PolarHBondContact O-N 3.11Å; Y28-F32 VanDerWaalsContact O-CB 3.28Å; Y28-F32 WeakPolarHBondContact O-CB 3.13Å; Y28-F32 PolarHBondContact O-N 2.8Å |
| 29 | L | 67.3 | Low | 60.9 | Low | 111 Ų | 111 | 115.5 Ų | 115.5 | 58% | 0.581 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.2 | -40.2 | -174.3 | -169.1 | 66.6 | 0 | 0 | 0 | 111.9 | F32 Y33 | L29-F32 PolarHBondContact O-N 3.05Å; L29-Y33 HydrophobicContact CD1-CD2 4.08Å; L29-Y33 HydrophobicContact CD1-CE2 3.59Å; L29-Y33 HydrophobicContact CD2-CE2 4.42Å; L29-Y33 HydrophobicContact CG-CD2 3.96Å; L29-Y33 HydrophobicContact CG-CE2 3.8Å; L29-Y33 WeakPolarHBondContact O-CD2 3.44Å; L29-Y33 PolarHBondContact O-N 2.98Å; L29-Y33 VanDerWaalsContact O-N 3.07Å |
| 30 | H | 66.9 | Low | 60.8 | Low | 118 Ų | 118 | 110.8 Ų | 110.8 | 55% | 0.546 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.5 | -44.2 | 179.4 | -172.4 | 57.1 | 0 | 0 | 0 | 111.9 | Y28 F32 Y33 E34 | Y28-H30 VanDerWaalsContact C-N 3.33Å; Y28-H30 PolarHBondContact O-N 3.03Å; H30-F32 VanDerWaalsContact C-N 3.3Å; H30-F32 PolarHBondContact O-N 3.1Å; H30-Y33 PolarHBondContact O-N 3.19Å; H30-E34 WeakPolarHBondContact O-CG 3.42Å; H30-E34 PolarHBondContact O-N 3.28Å |
| 31 | L | 63.1 | Low | 60.1 | Low | 71 Ų | 71 | 114.8 Ų | 114.8 | 37% | 0.372 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.3 | -36.5 | 174.8 | -69.6 | 175.6 | 0 | 0 | 0 | 111.9 | Y23 S27 Y28 E34 D35 | Y23-L31 HydrophobicContact CD1-CD1 3.49Å; Y23-L31 VanDerWaalsContact CD1-CD1 3.49Å; Y23-L31 HydrophobicContact CD2-CD1 4.02Å; Y23-L31 HydrophobicContact CE1-CD1 3.31Å; Y23-L31 HydrophobicContact CE2-CD1 3.81Å; Y23-L31 HydrophobicContact CG-CD1 3.84Å; Y23-L31 VanDerWaalsContact CZ-CD1 3.46Å; S27-L31 WeakPolarHBondContact O-CB 3.28Å; S27-L31 WeakPolarHBondContact O-CD1 3.39Å; S27-L31 WeakPolarHBondContact O-CG 3.05Å; S27-L31 PolarHBondContact O-N 3.35Å; Y28-L31 PolarHBondContact O-N 3.11Å; L31-E34 PolarHBondContact O-N 2.69Å; L31-D35 WeakPolarHBondContact O-CB 3.13Å; L31-D35 PolarHBondContact O-N 3.23Å |
| 32 | F | 66.1 | Low | 59.4 | Low | 99 Ų | 99 | 112 Ų | 112 | 43% | 0.434 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.2 | -44.3 | 176.7 | -179.2 | -94.9 | 0 | 0 | 0 | 112.1 | Y28 L29 H30 C36 | Y28-F32 VanDerWaalsContact O-CB 3.28Å; Y28-F32 WeakPolarHBondContact O-CB 3.13Å; Y28-F32 PolarHBondContact O-N 2.8Å; L29-F32 PolarHBondContact O-N 3.05Å; H30-F32 VanDerWaalsContact C-N 3.3Å; H30-F32 PolarHBondContact O-N 3.1Å; F32-C36 WeakPolarHBondContact O-CB 3.22Å; F32-C36 PolarHBondContact O-N 3.39Å; F32-C36 VanDerWaalsContact O-N 3.15Å; F32-C36 PolarHBondContact O-SG 2.95Å |
| 33 | Y | 67.4 | Low | 59 | Low | 145 Ų | 145 | 108 Ų | 108 | 57% | 0.569 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.7 | -38.5 | 178.3 | -82.3 | -68.7 | 0 | 0 | 0 | 113 | L29 H30 C36 A37 | L29-Y33 HydrophobicContact CD1-CD2 4.08Å; L29-Y33 HydrophobicContact CD1-CE2 3.59Å; L29-Y33 HydrophobicContact CD2-CE2 4.42Å; L29-Y33 HydrophobicContact CG-CD2 3.96Å; L29-Y33 HydrophobicContact CG-CE2 3.8Å; L29-Y33 WeakPolarHBondContact O-CD2 3.44Å; L29-Y33 PolarHBondContact O-N 2.98Å; L29-Y33 VanDerWaalsContact O-N 3.07Å; H30-Y33 PolarHBondContact O-N 3.19Å; Y33-C36 PolarHBondContact O-N 2.82Å; Y33-A37 WeakPolarHBondContact O-CB 3.42Å; Y33-A37 PolarHBondContact O-N 2.7Å |
| 34 | E | 64.6 | Low | 58.8 | Low | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.6 | -39.9 | 175.8 | -72.4 | -70.6 | 126.6 | 0 | 0 | 111.9 | H30 L31 G38 | H30-E34 WeakPolarHBondContact O-CG 3.42Å; H30-E34 PolarHBondContact O-N 3.28Å; L31-E34 PolarHBondContact O-N 2.69Å; E34-G38 WeakPolarHBondContact O-CA 3.42Å; E34-G38 PolarHBondContact O-N 2.77Å |
| 35 | D | 65.8 | Low | 58 | Low | 119 Ų | 119 | 111.7 Ų | 111.7 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.5 | -37.5 | 178.7 | -164.9 | 58.8 | 0 | 0 | 0 | 112.2 | L31 T39 | L31-D35 WeakPolarHBondContact O-CB 3.13Å; L31-D35 PolarHBondContact O-N 3.23Å; D35-T39 VanDerWaalsContact O-CG2 3.26Å; D35-T39 WeakPolarHBondContact O-CG2 3.26Å; D35-T39 PolarHBondContact O-OG1 3.19Å |
| 36 | C | 61.9 | Low | 57.9 | Low | 61 Ų | 61 | 113.5 Ų | 113.5 | 41% | 0.412 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -79.4 | -29.8 | 177.3 | -65.4 | 0 | 0 | 0 | 0 | 113.5 | F32 Y33 T39 | F32-C36 WeakPolarHBondContact O-CB 3.22Å; F32-C36 PolarHBondContact O-N 3.39Å; F32-C36 VanDerWaalsContact O-N 3.15Å; F32-C36 PolarHBondContact O-SG 2.95Å; Y33-C36 PolarHBondContact O-N 2.82Å; C36-T39 PolarHBondContact O-OG1 3.28Å |
| 37 | A | 61.2 | Low | 57.9 | Low | 54 Ų | 54 | 104.8 Ų | 104.8 | 45% | 0.446 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -85.5 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y33 T39 A40 | Y33-A37 WeakPolarHBondContact O-CB 3.42Å; Y33-A37 PolarHBondContact O-N 2.7Å; A37-T39 VanDerWaalsContact C-N 3.26Å; A37-T39 PolarHBondContact O-N 3.07Å; A37-A40 WeakPolarHBondContact O-CB 3.29Å; A37-A40 PolarHBondContact O-N 2.69Å; A37-A40 VanDerWaalsContact O-N 3.1Å |
| 38 | G | 53.8 | Low | 57.4 | Low | 54 Ų | 54 | 108.4 Ų | 108.4 | 56% | 0.557 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.1 | -24.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E34 | E34-G38 WeakPolarHBondContact O-CA 3.42Å; E34-G38 PolarHBondContact O-N 2.77Å |
| 39 | T | 52.2 | Low | 57.1 | Low | 102 Ų | 102 | 105.5 Ų | 105.5 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -14.7 | 172.3 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | D35 C36 A37 | D35-T39 VanDerWaalsContact O-CG2 3.26Å; D35-T39 WeakPolarHBondContact O-CG2 3.26Å; D35-T39 PolarHBondContact O-OG1 3.19Å; C36-T39 PolarHBondContact O-OG1 3.28Å; A37-T39 VanDerWaalsContact C-N 3.26Å; A37-T39 PolarHBondContact O-N 3.07Å |
| 40 | A | 52.7 | Low | 56.5 | Low | 81 Ų | 81 | 106.4 Ų | 106.4 | 67% | 0.669 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -12.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A37 | A37-A40 WeakPolarHBondContact O-CB 3.29Å; A37-A40 PolarHBondContact O-N 2.69Å; A37-A40 VanDerWaalsContact O-N 3.1Å |
| 41 | L | 46.2 | Very low | 55.8 | Low | 148 Ų | 148 | 108 Ų | 108 | 78% | 0.775 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 26.2 | 176.3 | -89.5 | 167.2 | 0 | 0 | 0 | 112.6 | D43 | L41-D43 PolarHBondContact O-N 3Š|
| 42 | S | 45.5 | Very low | 55.2 | Low | 89 Ų | 89 | 109.4 Ų | 109.4 | 62% | 0.622 | 64% | 0.644 | S | S | * | * | | | trans | -68.2 | 91.1 | 155.7 | 178.1 | 0 | 0 | 0 | 0 | 107 | D44 | S42-D44 PolarHBondContact O-N 2.08Å; S42-D44 VanDerWaalsContact O-N 3.16Å |
| 43 | D | 53.2 | Low | 54.6 | Low | 157 Ų | 157 | 109.8 Ų | 109.8 | 84% | 0.84 | 66% | 0.656 | S | S | * | * | | | trans | -53.2 | 115.1 | 172 | -158.2 | -111.1 | 0 | 0 | 0 | 108.7 | L41 | L41-D43 PolarHBondContact O-N 3Š|
| 44 | D | 53.8 | Low | 54 | Low | 124 Ų | 124 | 114.6 Ų | 114.6 | 66% | 0.663 | 67% | 0.673 | S | S | * | * | | | trans | 83 | 125.2 | -174.4 | -154.4 | 47.5 | 0 | 0 | 0 | 117 | S42 E46 | S42-D44 PolarHBondContact O-N 2.08Å; S42-D44 VanDerWaalsContact O-N 3.16Å; D44-E46 PolarHBondContact OD1-N 3.44Å; D44-E46 VanDerWaalsContact OD1-N 3.09Å |
| 45 | P | 47.9 | Very low | 53.7 | Low | 101 Ų | 101 | 119 Ų | 119 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | | | | -140 | 142 | 85.5 | 35 | -18 | 0 | 0 | 0 | 115.2 | G47 | P45-G47 PolarHBondContact O-N 2.88Š|
| 46 | E | 50.5 | Low | 53.5 | Low | 198 Ų | 198 | 119.2 Ų | 119.2 | 93% | 0.925 | 69% | 0.692 | S | S | * | * | | | trans | -58 | 75.8 | 145.5 | -178.7 | 144.3 | 72.4 | 0 | 0 | 109.7 | D44 | D44-E46 PolarHBondContact OD1-N 3.44Å; D44-E46 VanDerWaalsContact OD1-N 3.09Å |
| 47 | G | 57 | Low | 53.3 | Low | 39 Ų | 39 | 127.6 Ų | 127.6 | 40% | 0.402 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -144.4 | 140.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P45 | P45-G47 PolarHBondContact O-N 2.88Š|
| 48 | P | 49.5 | Very low | 53.3 | Low | 118 Ų | 118 | 130.2 Ų | 130.2 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | | | trans | -56.5 | 138.6 | -175.9 | -15.3 | 24.9 | 0 | 0 | 0 | 109.6 | V50 | P48-V50 PolarHBondContact O-N 3.44Š|
| 49 | P | 52.7 | Low | 53.7 | Low | 109 Ų | 109 | 132.5 Ų | 132.5 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | | | trans | -52.1 | 121.8 | 178.5 | 21.4 | -31.7 | 0 | 0 | 0 | 107.4 | L51 | P49-L51 PolarHBondContact O-N 2.98Š|
| 50 | V | 54.8 | Low | 54.2 | Low | 130 Ų | 130 | 133.8 Ų | 133.8 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | | | trans | -62.5 | 92.6 | 176 | 178.7 | 0 | 0 | 0 | 0 | 105.8 | P48 C52 | P48-V50 PolarHBondContact O-N 3.44Å; V50-C52 PolarHBondContact O-N 3.16Å |
| 51 | L | 51.8 | Low | 54.8 | Low | 152 Ų | 152 | 135.5 Ų | 135.5 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | trans | -65.8 | 87.5 | 172 | -73.5 | 171.6 | 0 | 0 | 0 | 105.6 | P49 P53 | P49-L51 PolarHBondContact O-N 2.98Å; L51-P53 WeakPolarHBondContact O-CD 3.33Å |
| 52 | C | 50.4 | Low | 55.5 | Low | 100 Ų | 100 | 138 Ų | 138 | 68% | 0.676 | 74% | 0.743 | S | S | * | * | | | trans | -54.5 | 114.5 | 168.3 | -77.3 | 0 | 0 | 0 | 0 | 106.5 | V50 R54 | V50-C52 PolarHBondContact O-N 3.16Å; C52-R54 PolarHBondContact O-N 2.81Å; C52-R54 VanDerWaalsContact O-N 3.07Å |
| 53 | P | 53.9 | Low | 56.5 | Low | 106 Ų | 106 | 143.5 Ų | 143.5 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | | | trans | -58.9 | 124.4 | 174.8 | 24.1 | -31.3 | 0 | 0 | 0 | 106 | L51 R55 | L51-P53 WeakPolarHBondContact O-CD 3.33Å; P53-R55 PolarHBondContact O-N 2.76Å |
| 54 | R | 55.3 | Low | 56.8 | Low | 247 Ų | 247 | 144.2 Ų | 144.2 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | | | trans | -55.8 | 91.6 | 178.8 | -74.1 | -175 | 173.2 | -138.7 | -0.4 | 108.2 | C52 | C52-R54 PolarHBondContact O-N 2.81Å; C52-R54 VanDerWaalsContact O-N 3.07Å |
| 55 | R | 57.2 | Low | 56.8 | Low | 210 Ų | 210 | 153.3 Ų | 153.3 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 130 | 171.9 | -73.6 | -177.9 | 178.1 | -113.9 | 0.6 | 106 | P53 W57 | P53-R55 PolarHBondContact O-N 2.76Å; R55-W57 PolarHBondContact O-N 3.03Å; R55-W57 VanDerWaalsContact O-N 3.11Å |
| 56 | P | 62 | Low | 57.3 | Low | 123 Ų | 123 | 156 Ų | 156 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 122.5 | 166.6 | -19.9 | 30.7 | 0 | 0 | 0 | 107.2 | | |
| 57 | W | 58.5 | Low | 57.6 | Low | 238 Ų | 238 | 153.7 Ų | 153.7 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 132.2 | 173.8 | -76.7 | 80.6 | 0 | 0 | 0 | 107.7 | R55 S59 | R55-W57 PolarHBondContact O-N 3.03Å; R55-W57 VanDerWaalsContact O-N 3.11Å; W57-S59 PolarHBondContact O-N 3.09Å |
| 58 | P | 60.9 | Low | 57.7 | Low | 109 Ų | 109 | 160.1 Ų | 160.1 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 120.9 | 175.8 | 22.9 | -30.1 | 0 | 0 | 0 | 107.3 | L60 | P58-L60 PolarHBondContact O-N 2.83Š|
| 59 | S | 62.6 | Low | 58.2 | Low | 102 Ų | 102 | 162.6 Ų | 162.6 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | | | trans | -61.2 | 102.2 | 177.5 | 50.6 | 0 | 0 | 0 | 0 | 107.7 | W57 C61 | W57-S59 PolarHBondContact O-N 3.09Å; S59-C61 VanDerWaalsContact C-N 3.28Å; S59-C61 PolarHBondContact O-N 2.96Å |
| 60 | L | 61.3 | Low | 58.5 | Low | 129 Ų | 129 | 165.9 Ų | 165.9 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | | | trans | -65.1 | 92.1 | 171.3 | -84.4 | 153.6 | 0 | 0 | 0 | 107.5 | P58 W62 | P58-L60 PolarHBondContact O-N 2.83Å; L60-W62 VanDerWaalsContact C-N 3.29Å; L60-W62 HydrophobicContact CD1-CZ2 4.38Å; L60-W62 HydrophobicContact CD2-CZ2 4.39Å; L60-W62 PolarHBondContact O-N 3.26Å |
| 61 | C | 65.6 | Low | 58.8 | Low | 116 Ų | 116 | 168.3 Ų | 168.3 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | -70.7 | 88.8 | 169.3 | -65.7 | 0 | 0 | 0 | 0 | 108 | S59 K63 | S59-C61 VanDerWaalsContact C-N 3.28Å; S59-C61 PolarHBondContact O-N 2.96Å; C61-K63 PolarHBondContact O-N 3.04Å; C61-K63 VanDerWaalsContact O-N 3.09Å |
| 62 | W | 61.2 | Low | 59.2 | Low | 201 Ų | 201 | 169.5 Ų | 169.5 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | | | trans | -65 | 109.8 | 169.6 | -61.5 | 101.4 | 0 | 0 | 0 | 108.2 | L60 M64 | L60-W62 VanDerWaalsContact C-N 3.29Å; L60-W62 HydrophobicContact CD1-CZ2 4.38Å; L60-W62 HydrophobicContact CD2-CZ2 4.39Å; L60-W62 PolarHBondContact O-N 3.26Å; W62-M64 PolarHBondContact O-N 2.91Å |
| 63 | K | 67 | Low | 59.9 | Low | 205 Ų | 205 | 174.8 Ų | 174.8 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | | | trans | -69.5 | 97.1 | 172.6 | -170.9 | 177.2 | -170 | 177.3 | 0 | 108.3 | C61 | C61-K63 PolarHBondContact O-N 3.04Å; C61-K63 VanDerWaalsContact O-N 3.09Å |
| 64 | M | 58.9 | Low | 60.4 | Low | 172 Ų | 172 | 180.6 Ų | 180.6 | 85% | 0.847 | 83% | 0.833 | S | S | * | * | | | trans | -69.9 | 129.3 | 166.7 | -63.4 | -68.3 | -78.3 | 0 | 0 | 107.9 | W62 | W62-M64 PolarHBondContact O-N 2.91Š|
| 65 | R | 54.6 | Low | 60.9 | Low | 315 Ų | 315 | 174.5 Ų | 174.5 | 100% | 1.189 | 82% | 0.824 | S | S | * | * | | | trans | -79.9 | 0 | -177.8 | -168.5 | -179.1 | -156.6 | 153 | 4.6 | 111.4 | | |