| 1 | M | 63.4 | Low | 86.9 | Confident | 243 Ų | 243 | 128 Ų | 128 | 100% | 1.197 | 67% | 0.674 | S | S | * | * | | | | 0 | 109.7 | 0 | -63 | 167.3 | 77.7 | 0 | 0 | 107.3 | G3 | M1-G3 PolarHBondContact O-N 3.45Š|
| 2 | R | 76.3 | Confident | 87.6 | Confident | 257 Ų | 257 | 127.6 Ų | 127.6 | 97% | 0.97 | 67% | 0.671 | S | S | * | * | | | trans | -83.5 | 109.6 | 178.3 | -74.7 | 178.8 | 180 | 171.8 | -0.5 | 107.7 | | |
| 3 | G | 80.6 | Confident | 88.1 | Confident | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 148.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1 | M1-G3 PolarHBondContact O-N 3.45Š|
| 4 | A | 84.1 | Confident | 88.5 | Confident | 60 Ų | 60 | 124.1 Ų | 124.1 | 50% | 0.496 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 137.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q8 I9 | A4-Q8 HydrophobicContact CB-CB 4.49Å; A4-I9 HydrophobicContact CB-CG1 4.37Å |
| 5 | S | 88.9 | Confident | 88.9 | Confident | 61 Ų | 61 | 122.9 Ų | 122.9 | 43% | 0.427 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 149.5 | 177.5 | 65.8 | 0 | 0 | 0 | 0 | 110 | L7 Q8 I9 | S5-L7 PolarHBondContact O-N 3.03Å; S5-L7 VanDerWaalsContact O-N 3.09Å; S5-Q8 WeakPolarHBondContact O-CB 3.47Å; S5-Q8 PolarHBondContact O-N 3.46Å; S5-Q8 WeakPolarHBondContact OG-CG 3.48Å; S5-I9 PolarHBondContact O-N 3.43Å |
| 6 | H | 90.9 | Very high | 89 | Confident | 155 Ų | 155 | 117.8 Ų | 117.8 | 72% | 0.718 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -53.8 | -32.3 | 178.2 | -80.9 | -0.1 | 0 | 0 | 0 | 113.2 | Q8 I9 L10 | H6-Q8 VanDerWaalsContact C-N 3.35Å; H6-Q8 PolarHBondContact O-N 3.01Å; H6-I9 PolarHBondContact O-N 3.05Å; H6-L10 PolarHBondContact O-N 3.09Å |
| 7 | L | 93.6 | Very high | 88.9 | Confident | 142 Ų | 142 | 114.1 Ų | 114.1 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.4 | -40.2 | 173.5 | -93 | 160.9 | 0 | 0 | 0 | 113 | S5 L11 | S5-L7 PolarHBondContact O-N 3.03Å; S5-L7 VanDerWaalsContact O-N 3.09Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 PolarHBondContact O-N 3.3Å |
| 8 | Q | 93.1 | Very high | 88.7 | Confident | 107 Ų | 107 | 110.6 Ų | 110.6 | 50% | 0.5 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.6 | -38.5 | 178.2 | -71.1 | 173.2 | -16.7 | 0 | 0 | 111.6 | A4 S5 H6 L11 L12 | A4-Q8 HydrophobicContact CB-CB 4.49Å; S5-Q8 WeakPolarHBondContact O-CB 3.47Å; S5-Q8 PolarHBondContact O-N 3.46Å; S5-Q8 WeakPolarHBondContact OG-CG 3.48Å; H6-Q8 VanDerWaalsContact C-N 3.35Å; H6-Q8 PolarHBondContact O-N 3.01Å; Q8-L11 PolarHBondContact O-N 3.31Å; Q8-L12 VanDerWaalsContact O-CG 3.3Å; Q8-L12 WeakPolarHBondContact O-CG 3.3Å; Q8-L12 PolarHBondContact O-N 3.34Å |
| 9 | I | 93.9 | Very high | 88 | Confident | 81 Ų | 81 | 115 Ų | 115 | 42% | 0.415 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.1 | -45.5 | 178.7 | -58.7 | 173.5 | 0 | 0 | 0 | 110.3 | A4 S5 H6 L11 L12 L13 | A4-I9 HydrophobicContact CB-CG1 4.37Å; S5-I9 PolarHBondContact O-N 3.43Å; H6-I9 PolarHBondContact O-N 3.05Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.46Å; I9-L12 PolarHBondContact O-N 2.89Å; I9-L13 HydrophobicContact CG2-CD1 4.22Å; I9-L13 WeakPolarHBondContact O-CG 3.38Å; I9-L13 PolarHBondContact O-N 2.98Å |
| 10 | L | 95.5 | Very high | 87.5 | Confident | 107 Ų | 107 | 111.9 Ų | 111.9 | 56% | 0.56 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.8 | -43.5 | 175.2 | -86.1 | 161.3 | 0 | 0 | 0 | 111.9 | H6 L12 L13 V14 | H6-L10 PolarHBondContact O-N 3.09Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.31Å; L10-V14 WeakPolarHBondContact O-CG2 3.38Å; L10-V14 PolarHBondContact O-N 3.09Å |
| 11 | L | 96 | Very high | 87 | Confident | 123 Ų | 123 | 111.3 Ų | 111.3 | 64% | 0.644 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60 | -45.3 | 177.7 | -166.3 | 83.9 | 0 | 0 | 0 | 111.5 | L7 Q8 I9 L13 V14 L15 | L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 PolarHBondContact O-N 3.3Å; Q8-L11 PolarHBondContact O-N 3.31Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.46Å; L11-L13 PolarHBondContact O-N 3.44Å; L11-V14 PolarHBondContact O-N 2.92Å; L11-L15 WeakPolarHBondContact O-CB 3.38Å; L11-L15 PolarHBondContact O-N 3.41Å |
| 12 | L | 95 | Very high | 87.2 | Confident | 123 Ų | 123 | 108 Ų | 108 | 64% | 0.644 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.6 | -38.8 | 179.3 | -72 | 171 | 0 | 0 | 0 | 112.3 | Q8 I9 L10 L15 G16 | Q8-L12 VanDerWaalsContact O-CG 3.3Å; Q8-L12 WeakPolarHBondContact O-CG 3.3Å; Q8-L12 PolarHBondContact O-N 3.34Å; I9-L12 PolarHBondContact O-N 2.89Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 2.91Å; L12-G16 PolarHBondContact O-N 3.49Å |
| 13 | L | 94.1 | Very high | 86.7 | Confident | 114 Ų | 114 | 99.3 Ų | 99.3 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.4 | -46.2 | 176 | -77.7 | 166.8 | 0 | 0 | 0 | 111.9 | I9 L10 L11 G16 A17 | I9-L13 HydrophobicContact CG2-CD1 4.22Å; I9-L13 WeakPolarHBondContact O-CG 3.38Å; I9-L13 PolarHBondContact O-N 2.98Å; L10-L13 PolarHBondContact O-N 3.31Å; L11-L13 PolarHBondContact O-N 3.44Å; L13-G16 PolarHBondContact O-N 2.97Å; L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.39Å |
| 14 | V | 94.4 | Very high | 86.1 | Confident | 92 Ų | 92 | 101.7 Ų | 101.7 | 56% | 0.558 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.1 | -41.7 | 179 | 174.4 | 0 | 0 | 0 | 0 | 111 | L10 L11 A17 S18 | L10-V14 WeakPolarHBondContact O-CG2 3.38Å; L10-V14 PolarHBondContact O-N 3.09Å; L11-V14 PolarHBondContact O-N 2.92Å; V14-A17 PolarHBondContact O-N 3.05Å; V14-S18 WeakPolarHBondContact O-CB 3.42Å; V14-S18 PolarHBondContact O-N 3.31Å; V14-S18 PolarHBondContact O-OG 3.37Å |
| 15 | L | 93.9 | Very high | 84.9 | Confident | 107 Ų | 107 | 106.5 Ų | 106.5 | 56% | 0.56 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.9 | -40.4 | 179.1 | -152.2 | 77.7 | 0 | 0 | 0 | 111.5 | L11 L12 R19 | L11-L15 WeakPolarHBondContact O-CB 3.38Å; L11-L15 PolarHBondContact O-N 3.41Å; L12-L15 PolarHBondContact O-N 2.91Å; L15-R19 WeakPolarHBondContact O-CG 3.4Å; L15-R19 PolarHBondContact O-N 3.32Å; L15-R19 VanDerWaalsContact O-N 3.15Å |
| 16 | G | 90.8 | Very high | 83.3 | Confident | 40 Ų | 40 | 107.4 Ų | 107.4 | 41% | 0.412 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.7 | -47 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L12 L13 S18 R19 A20 | L12-G16 PolarHBondContact O-N 3.49Å; L13-G16 PolarHBondContact O-N 2.97Å; G16-S18 VanDerWaalsContact C-N 3.33Å; G16-S18 PolarHBondContact O-N 3.48Å; G16-R19 PolarHBondContact O-N 3.31Å; G16-A20 PolarHBondContact O-N 3.45Å; G16-A20 VanDerWaalsContact O-N 3.09Å |
| 17 | A | 86.9 | Confident | 81.5 | Confident | 56 Ų | 56 | 104.7 Ų | 104.7 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.4 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L13 V14 A20 L21 | L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.39Å; V14-A17 PolarHBondContact O-N 3.05Å; A17-A20 PolarHBondContact O-N 3.15Å; A17-L21 WeakPolarHBondContact O-CG 3.4Å; A17-L21 PolarHBondContact O-N 2.78Å; A17-L21 VanDerWaalsContact O-N 3.07Å |
| 18 | S | 85 | Confident | 79.4 | Confident | 50 Ų | 50 | 105.9 Ų | 105.9 | 35% | 0.35 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.4 | -49.9 | 175.9 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | V14 G16 A20 L21 W22 | V14-S18 WeakPolarHBondContact O-CB 3.42Å; V14-S18 PolarHBondContact O-N 3.31Å; V14-S18 PolarHBondContact O-OG 3.37Å; G16-S18 VanDerWaalsContact C-N 3.33Å; G16-S18 PolarHBondContact O-N 3.48Å; S18-A20 VanDerWaalsContact C-N 3.29Å; S18-A20 PolarHBondContact O-N 3Å; S18-L21 WeakPolarHBondContact O-CB 3.3Å; S18-L21 PolarHBondContact O-N 3.33Å; S18-L21 VanDerWaalsContact O-N 3.14Å; S18-W22 PolarHBondContact O-N 3.22Å |
| 19 | R | 76.7 | Confident | 77.4 | Confident | 195 Ų | 195 | 103.9 Ų | 103.9 | 74% | 0.736 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.8 | -36.5 | -180 | -69.8 | -177.7 | 76 | 163.5 | 4.6 | 112.9 | L15 G16 W22 A23 | L15-R19 WeakPolarHBondContact O-CG 3.4Å; L15-R19 PolarHBondContact O-N 3.32Å; L15-R19 VanDerWaalsContact O-N 3.15Å; G16-R19 PolarHBondContact O-N 3.31Å; R19-W22 PolarHBondContact O-N 3.05Å; R19-A23 PolarHBondContact O-N 3.45Å |
| 20 | A | 76.4 | Confident | 75.2 | Confident | 52 Ų | 52 | 107.4 Ų | 107.4 | 43% | 0.43 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.2 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G16 A17 S18 A23 I24 | G16-A20 PolarHBondContact O-N 3.45Å; G16-A20 VanDerWaalsContact O-N 3.09Å; A17-A20 PolarHBondContact O-N 3.15Å; S18-A20 VanDerWaalsContact C-N 3.29Å; S18-A20 PolarHBondContact O-N 3Å; A20-A23 PolarHBondContact O-N 3.14Å; A20-I24 WeakPolarHBondContact O-CD1 3.42Å; A20-I24 VanDerWaalsContact O-CG1 3.3Å; A20-I24 WeakPolarHBondContact O-CG1 3.49Å; A20-I24 PolarHBondContact O-N 3.07Å |
| 21 | L | 77.1 | Confident | 73 | Confident | 101 Ų | 101 | 107.8 Ų | 107.8 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.6 | -44.3 | 175.7 | -72.3 | 165.6 | 0 | 0 | 0 | 111.8 | A17 S18 A23 I24 F25 | A17-L21 WeakPolarHBondContact O-CG 3.4Å; A17-L21 PolarHBondContact O-N 2.78Å; A17-L21 VanDerWaalsContact O-N 3.07Å; S18-L21 WeakPolarHBondContact O-CB 3.3Å; S18-L21 PolarHBondContact O-N 3.33Å; S18-L21 VanDerWaalsContact O-N 3.14Å; L21-A23 VanDerWaalsContact C-N 3.34Å; L21-A23 PolarHBondContact O-N 2.9Å; L21-I24 PolarHBondContact O-N 2.73Å; L21-F25 WeakPolarHBondContact O-CD2 3.32Å; L21-F25 PolarHBondContact O-N 2.8Å; L21-F25 VanDerWaalsContact O-N 3.13Å |
| 22 | W | 67.5 | Low | 70.7 | Confident | 174 Ų | 174 | 108.6 Ų | 108.6 | 66% | 0.659 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.3 | -40.6 | 176.4 | -80.7 | 89.2 | 0 | 0 | 0 | 112.3 | S18 R19 I24 F25 L26 | S18-W22 PolarHBondContact O-N 3.22Å; R19-W22 PolarHBondContact O-N 3.05Å; W22-I24 VanDerWaalsContact C-N 3.28Å; W22-I24 PolarHBondContact O-N 3.23Å; W22-F25 PolarHBondContact O-N 2.98Å; W22-L26 HydrophobicContact CD2-CD1 4.47Å; W22-L26 HydrophobicContact CE3-CD1 3.4Å; W22-L26 HydrophobicContact CE3-CD2 4.08Å; W22-L26 HydrophobicContact CE3-CG 4.39Å; W22-L26 HydrophobicContact CZ3-CD1 3.79Å; W22-L26 VanDerWaalsContact O-CB 3.32Å; W22-L26 WeakPolarHBondContact O-CB 3.26Å; W22-L26 PolarHBondContact O-N 3.11Å |
| 23 | A | 67.1 | Low | 68.3 | Low | 73 Ų | 73 | 113.4 Ų | 113.4 | 60% | 0.603 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.9 | -30.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R19 A20 L21 | R19-A23 PolarHBondContact O-N 3.45Å; A20-A23 PolarHBondContact O-N 3.14Å; L21-A23 VanDerWaalsContact C-N 3.34Å; L21-A23 PolarHBondContact O-N 2.9Å |
| 24 | I | 67.1 | Low | 65.8 | Low | 123 Ų | 123 | 116.2 Ų | 116.2 | 63% | 0.631 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.9 | -35 | 178.8 | -63.5 | 162.9 | 0 | 0 | 0 | 111.1 | A20 L21 W22 P27 | A20-I24 WeakPolarHBondContact O-CD1 3.42Å; A20-I24 VanDerWaalsContact O-CG1 3.3Å; A20-I24 WeakPolarHBondContact O-CG1 3.49Å; A20-I24 PolarHBondContact O-N 3.07Å; L21-I24 PolarHBondContact O-N 2.73Å; W22-I24 VanDerWaalsContact C-N 3.28Å; W22-I24 PolarHBondContact O-N 3.23Å; I24-P27 VanDerWaalsContact O-CD 3.26Å; I24-P27 WeakPolarHBondContact O-CD 3.41Å |
| 25 | F | 60 | Low | 63.1 | Low | 160 Ų | 160 | 117.2 Ų | 117.2 | 70% | 0.702 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -90.4 | -15.5 | -177.3 | -83 | -87 | 0 | 0 | 0 | 115 | L21 W22 | L21-F25 WeakPolarHBondContact O-CD2 3.32Å; L21-F25 PolarHBondContact O-N 2.8Å; L21-F25 VanDerWaalsContact O-N 3.13Å; W22-F25 PolarHBondContact O-N 2.98Å |
| 26 | L | 55.3 | Low | 60.6 | Low | 80 Ų | 80 | 117.7 Ų | 117.7 | 42% | 0.419 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -89.6 | -2.6 | -177.1 | -102.4 | 64.2 | 0 | 0 | 0 | 119.5 | W22 E28 | W22-L26 HydrophobicContact CD2-CD1 4.47Å; W22-L26 HydrophobicContact CE3-CD1 3.4Å; W22-L26 HydrophobicContact CE3-CD2 4.08Å; W22-L26 HydrophobicContact CE3-CG 4.39Å; W22-L26 HydrophobicContact CZ3-CD1 3.79Å; W22-L26 VanDerWaalsContact O-CB 3.32Å; W22-L26 WeakPolarHBondContact O-CB 3.26Å; W22-L26 PolarHBondContact O-N 3.11Å; L26-E28 PolarHBondContact O-N 3.33Å |
| 27 | P | 52.5 | Low | 58.7 | Low | 98 Ų | 98 | 127.6 Ų | 127.6 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -74.8 | -9.7 | 179.8 | 28.9 | -29.5 | 0 | 0 | 0 | 113.4 | I24 | I24-P27 VanDerWaalsContact O-CD 3.26Å; I24-P27 WeakPolarHBondContact O-CD 3.41Å |
| 28 | E | 49.7 | Very low | 56.4 | Low | 167 Ų | 167 | 129.3 Ų | 129.3 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -98.5 | -11.4 | -174.3 | -141.9 | -176.5 | 141.7 | 0 | 0 | 115.1 | L26 | L26-E28 PolarHBondContact O-N 3.33Š|
| 29 | A | 50.2 | Low | 54.5 | Low | 65 Ų | 65 | 135.2 Ų | 135.2 | 54% | 0.537 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -92.7 | -11.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 30 | Q | 49.1 | Very low | 53.2 | Low | 155 Ų | 155 | 136.3 Ų | 136.3 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -98.5 | -4.1 | -176.1 | -64.2 | -159.4 | 21.2 | 0 | 0 | 114.8 | L32 | Q30-L32 VanDerWaalsContact C-N 3.33Š|
| 31 | T | 48.4 | Very low | 51.9 | Low | 116 Ų | 116 | 140.2 Ų | 140.2 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 3.4 | 175.7 | 37 | 0 | 0 | 0 | 0 | 114.1 | | |
| 32 | L | 48.1 | Very low | 50.4 | Low | 139 Ų | 139 | 141.3 Ų | 141.3 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -0.3 | -178.2 | -82.4 | 164.8 | 0 | 0 | 0 | 115.6 | Q30 | Q30-L32 VanDerWaalsContact C-N 3.33Š|
| 33 | W | 44.2 | Very low | 49.4 | Very low | 225 Ų | 225 | 140 Ų | 140 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -113.3 | 25 | -177.4 | -78.4 | 96.1 | 0 | 0 | 0 | 115 | | |
| 34 | H | 40.9 | Very low | 48.3 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | | | trans | -123.3 | 52.4 | 165.2 | -71.2 | -62.5 | 0 | 0 | 0 | 111.5 | P36 | H34-P36 VanDerWaalsContact O-CD 3.29Å; H34-P36 WeakPolarHBondContact O-CD 3.37Å |
| 35 | C | 37.9 | Very low | 47.5 | Very low | 113 Ų | 113 | 141 Ų | 141 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | | | trans | -99.6 | 92.4 | 155.2 | -78.9 | 0 | 0 | 0 | 0 | 107.7 | W37 | C35-W37 PolarHBondContact O-N 3.36Š|
| 36 | P | 42.7 | Very low | 46.8 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | trans | -63.2 | 132.2 | 167.1 | 29 | -30.8 | 0 | 0 | 0 | 107.2 | H34 S38 | H34-P36 VanDerWaalsContact O-CD 3.29Å; H34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-S38 PolarHBondContact O-N 3.24Å; P36-S38 VanDerWaalsContact O-N 3.13Å |
| 37 | W | 49.4 | Very low | 46.1 | Very low | 249 Ų | 249 | 140.4 Ų | 140.4 | 94% | 0.943 | 76% | 0.758 | S | S | * | * | | | trans | -41.9 | 114.9 | -178.4 | -50.3 | -46.1 | 0 | 0 | 0 | 113 | C35 | C35-W37 PolarHBondContact O-N 3.36Š|
| 38 | S | 38.8 | Very low | 45.4 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | | | trans | -133.8 | 80.4 | 155.3 | -114.2 | 0 | 0 | 0 | 0 | 108.3 | P36 R40 | P36-S38 PolarHBondContact O-N 3.24Å; P36-S38 VanDerWaalsContact O-N 3.13Å; S38-R40 PolarHBondContact O-N 3.41Å |
| 39 | L | 46.4 | Very low | 44.6 | Very low | 173 Ų | 173 | 145 Ų | 145 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | | | trans | -49.3 | 94.4 | 150.1 | -112.6 | 131.2 | 0 | 0 | 0 | 107.7 | | |
| 40 | R | 49.2 | Very low | 44.4 | Very low | 218 Ų | 218 | 149.2 Ų | 149.2 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | | | trans | -122.8 | 105 | 163.7 | -73.4 | -168.8 | -177.7 | -174.6 | 1 | 108 | S38 | S38-R40 PolarHBondContact O-N 3.41Š|
| 41 | I | 49.1 | Very low | 43.9 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | trans | -40.4 | 133.5 | 171.1 | -60.7 | 155.3 | 0 | 0 | 0 | 109.7 | L43 | I41-L43 HydrophobicContact CG2-CD1 4.46Å; I41-L43 PolarHBondContact O-N 3.01Å |
| 42 | P | 44.3 | Very low | 43.8 | Very low | 124 Ų | 124 | 152.8 Ų | 152.8 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | | | trans | -70.7 | 100.9 | 174.7 | 27.8 | -30.3 | 0 | 0 | 0 | 109.1 | | |
| 43 | L | 47.3 | Very low | 43.5 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 136.3 | 163 | -111 | 73.2 | 0 | 0 | 0 | 108.6 | I41 A45 | I41-L43 HydrophobicContact CG2-CD1 4.46Å; I41-L43 PolarHBondContact O-N 3.01Å; L43-A45 PolarHBondContact O-N 3.35Å |
| 44 | P | 43.3 | Very low | 43.6 | Very low | 120 Ų | 120 | 144 Ų | 144 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 126.5 | 177.3 | 27 | -31.4 | 0 | 0 | 0 | 109.8 | | |
| 45 | A | 50.9 | Low | 43.3 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 127.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | L43 | L43-A45 PolarHBondContact O-N 3.35Š|
| 46 | P | 45.5 | Very low | 43.5 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 150.1 | 169 | 30 | -31 | 0 | 0 | 0 | 109.9 | C48 | P46-C48 PolarHBondContact O-N 2.81Š|
| 47 | P | 40 | Very low | 43.3 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 122.6 | 179.3 | 26.8 | -32.3 | 0 | 0 | 0 | 110.1 | R49 | P47-R49 PolarHBondContact O-N 3.13Š|
| 48 | C | 37.9 | Very low | 43 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 95% | 0.946 | 80% | 0.804 | S | S | * | * | | | trans | -64.1 | 93.1 | 172.4 | -67.3 | 0 | 0 | 0 | 0 | 109.8 | P46 | P46-C48 PolarHBondContact O-N 2.81Š|
| 49 | R | 33.4 | Very low | 43.1 | Very low | 223 Ų | 223 | 145.1 Ų | 145.1 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | | | trans | -97.9 | 119.5 | 169.6 | -166.1 | 176.3 | -176.9 | 171 | 0.5 | 108 | P47 | P47-R49 PolarHBondContact O-N 3.13Š|
| 50 | N | 44.6 | Very low | 43.1 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | 1.9 | 111.8 | 166.2 | -61.4 | -19.5 | 0 | 0 | 0 | 116.1 | | |
| 51 | Q | 40.4 | Very low | 43 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | -129 | 101 | 152.7 | -70.4 | -172.9 | 25.2 | 0 | 0 | 108.5 | | |
| 52 | D | 44.6 | Very low | 42.8 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -50.5 | 159.3 | 148.6 | -69.1 | -61.1 | 0 | 0 | 0 | 110.5 | | |
| 53 | A | 42 | Very low | 43.2 | Very low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 89.7 | 85.2 | 177 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 54 | G | 46 | Very low | 43 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | | | trans | 37.3 | 87.3 | 137.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 55 | V | 36.7 | Very low | 43 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | | | trans | -148 | 114 | 144.2 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | S57 | V55-S57 PolarHBondContact O-N 2.9Å; V55-S57 VanDerWaalsContact O-N 3.16Å |
| 56 | C | 40.7 | Very low | 42.6 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | | | trans | -73.3 | 98.1 | 170.9 | -72.5 | 0 | 0 | 0 | 0 | 109.8 | L58 | C56-L58 PolarHBondContact O-N 3.19Š|
| 57 | S | 38.8 | Very low | 42.5 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | | | trans | -83.4 | 88.1 | 166.9 | -81.2 | 0 | 0 | 0 | 0 | 110.1 | V55 W59 | V55-S57 PolarHBondContact O-N 2.9Å; V55-S57 VanDerWaalsContact O-N 3.16Å; S57-W59 PolarHBondContact O-N 3.14Å; S57-W59 VanDerWaalsContact O-N 3.1Å |
| 58 | L | 42.2 | Very low | 42.7 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -64 | 100.3 | 164.1 | -98.9 | 131.6 | 0 | 0 | 0 | 109 | C56 A60 | C56-L58 PolarHBondContact O-N 3.19Å; L58-A60 PolarHBondContact O-N 3.28Å |
| 59 | W | 42.7 | Very low | 42.8 | Very low | 245 Ų | 245 | 152.5 Ų | 152.5 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | | | trans | -71.1 | 107.5 | 163.3 | -89.9 | 64 | 0 | 0 | 0 | 108.6 | S57 A61 | S57-W59 PolarHBondContact O-N 3.14Å; S57-W59 VanDerWaalsContact O-N 3.1Å; W59-A61 PolarHBondContact O-N 3.03Å |
| 60 | A | 46.4 | Very low | 43.4 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 124 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L58 | L58-A60 PolarHBondContact O-N 3.28Š|
| 61 | A | 46.7 | Very low | 43.4 | Very low | 76 Ų | 76 | 144.5 Ų | 144.5 | 63% | 0.628 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 140.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | W59 | W59-A61 PolarHBondContact O-N 3.03Š|
| 62 | P | 45 | Very low | 43.7 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -78.4 | 130.5 | 177.8 | 32.2 | -29.7 | 0 | 0 | 0 | 109.3 | | |
| 63 | H | 51.3 | Low | 43.4 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | | | trans | 72.3 | 78 | 176.4 | -82.6 | -68.3 | 0 | 0 | 0 | 117.9 | | |
| 64 | V | 44.3 | Very low | 43.8 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | | | trans | -106.1 | 119.5 | 150.3 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 65 | Q | 43.9 | Very low | 43.9 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | | | trans | -62.7 | 135.7 | 169.7 | -88.6 | 178.5 | -21.5 | 0 | 0 | 109.3 | D67 | Q65-D67 VanDerWaalsContact C-N 3.29Å; Q65-D67 PolarHBondContact O-N 3.28Å |
| 66 | P | 40.7 | Very low | 44.2 | Very low | 129 Ų | 129 | 144 Ų | 144 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | trans | -77 | 83.9 | 175.4 | 31.5 | -31.8 | 0 | 0 | 0 | 109.1 | R68 | P66-R68 PolarHBondContact O-N 2.84Å; P66-R68 VanDerWaalsContact O-N 3.1Å |
| 67 | D | 44.7 | Very low | 44.4 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | | | trans | -70.4 | 106.5 | 168.3 | -97.9 | -24.2 | 0 | 0 | 0 | 109.5 | Q65 | Q65-D67 VanDerWaalsContact C-N 3.29Å; Q65-D67 PolarHBondContact O-N 3.28Å |
| 68 | R | 43.6 | Very low | 45 | Very low | 237 Ų | 237 | 150.9 Ų | 150.9 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | | | trans | 25.4 | 106.4 | 150.7 | -151.6 | 172.7 | -162.5 | 155 | 2.7 | 116 | P66 G70 | P66-R68 PolarHBondContact O-N 2.84Å; P66-R68 VanDerWaalsContact O-N 3.1Å; R68-G70 PolarHBondContact O-N 2.75Å |
| 69 | W | 39.3 | Very low | 45.3 | Very low | 262 Ų | 262 | 147.6 Ų | 147.6 | 99% | 0.992 | 82% | 0.817 | S | S | * | * | | | trans | -55.4 | 124 | 168.5 | -77.3 | 37.8 | 0 | 0 | 0 | 111.3 | | |
| 70 | G | 47.5 | Very low | 45.7 | Very low | 63 Ų | 63 | 141.9 Ų | 141.9 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | | | trans | -111.7 | 142.4 | 156 | 0 | 0 | 0 | 0 | 0 | 108.7 | R68 G72 | R68-G70 PolarHBondContact O-N 2.75Å; G70-G72 PolarHBondContact O-N 3.08Å |
| 71 | P | 44.3 | Very low | 46 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -79.8 | 118 | -179 | 32.3 | -29.4 | 0 | 0 | 0 | 109.2 | | |
| 72 | G | 45.7 | Very low | 45.8 | Very low | 75 Ų | 75 | 144.8 Ų | 144.8 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | 162.6 | 103.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G70 | G70-G72 PolarHBondContact O-N 3.08Š|
| 73 | C | 39.3 | Very low | 46 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 86% | 0.858 | 82% | 0.818 | S | S | * | * | | | trans | -68.2 | 154.7 | 176.7 | -75 | 0 | 0 | 0 | 0 | 113.9 | | |
| 74 | S | 50.8 | Low | 45.7 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | | | trans | 59.2 | 86.3 | 150.9 | 64.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 75 | G | 46.5 | Very low | 45.9 | Very low | 64 Ų | 64 | 146.8 Ų | 146.8 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | trans | -166.7 | 105.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | R77 | G75-R77 PolarHBondContact O-N 3.38Š|
| 76 | W | 43.6 | Very low | 46.2 | Very low | 255 Ų | 255 | 142.7 Ų | 142.7 | 97% | 0.966 | 81% | 0.809 | S | S | * | * | | | trans | -27 | 113.2 | 174.9 | -62.9 | 73.2 | 0 | 0 | 0 | 113.4 | V78 | W76-V78 PolarHBondContact O-N 3.01Š|
| 77 | R | 44.5 | Very low | 46.3 | Very low | 246 Ų | 246 | 142.3 Ų | 142.3 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | | | trans | -78.4 | 107.8 | 165.6 | -82.5 | -168.4 | -94.5 | -170.8 | -5.4 | 108.1 | G75 A79 | G75-R77 PolarHBondContact O-N 3.38Å; R77-A79 PolarHBondContact O-N 3.49Å; R77-A79 VanDerWaalsContact O-N 3.14Å |
| 78 | V | 51.1 | Low | 46.3 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | | | trans | -63.6 | 110.2 | 164.2 | 177.6 | 0 | 0 | 0 | 0 | 106.9 | W76 V80 | W76-V78 PolarHBondContact O-N 3.01Å; V78-V80 PolarHBondContact O-N 3.42Å |
| 79 | A | 49.9 | Very low | 46.4 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | | | trans | -68.1 | 101.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | R77 A81 | R77-A79 PolarHBondContact O-N 3.49Å; R77-A79 VanDerWaalsContact O-N 3.14Å; A79-A81 PolarHBondContact O-N 3.1Å; A79-A81 VanDerWaalsContact O-N 3.11Å |
| 80 | V | 50.1 | Low | 46.5 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | -68.9 | 107.7 | 167.9 | 179.9 | 0 | 0 | 0 | 0 | 106.3 | V78 N82 | V78-V80 PolarHBondContact O-N 3.42Å; V80-N82 VanDerWaalsContact C-N 3.35Å; V80-N82 PolarHBondContact O-N 3.31Å |
| 81 | A | 52.6 | Low | 46.3 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -63.3 | 99.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | A79 K83 | A79-A81 PolarHBondContact O-N 3.1Å; A79-A81 VanDerWaalsContact O-N 3.11Å; A81-K83 PolarHBondContact O-N 3.11Å |
| 82 | N | 43 | Very low | 46.3 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -62.9 | 127.7 | 176.8 | -160.1 | 4.3 | 0 | 0 | 0 | 108.2 | V80 H84 | V80-N82 VanDerWaalsContact C-N 3.35Å; V80-N82 PolarHBondContact O-N 3.31Å; N82-H84 VanDerWaalsContact C-N 3.31Å; N82-H84 PolarHBondContact O-N 3.31Å; N82-H84 PolarHBondContact O-ND1 3.4Å |
| 83 | K | 49.9 | Very low | 46.4 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -47 | 85.9 | -174.5 | -173.4 | 178.5 | -178.6 | 179.5 | 0 | 111.9 | A81 | A81-K83 PolarHBondContact O-N 3.11Š|
| 84 | H | 43.9 | Very low | 46.5 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -104.4 | 116.3 | 163.4 | -80.6 | 71.9 | 0 | 0 | 0 | 106.4 | N82 A86 | N82-H84 VanDerWaalsContact C-N 3.31Å; N82-H84 PolarHBondContact O-N 3.31Å; N82-H84 PolarHBondContact O-ND1 3.4Å; H84-A86 PolarHBondContact O-N 2.85Å |
| 85 | S | 48 | Very low | 46.3 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -61.6 | 88.6 | 171.1 | -50.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 86 | A | 51.6 | Low | 46.5 | Very low | 73 Ų | 73 | 148.1 Ų | 148.1 | 60% | 0.603 | 78% | 0.781 | S | S | * | * | | | trans | -60.5 | 129.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | H84 W88 | H84-A86 PolarHBondContact O-N 2.85Å; A86-W88 PolarHBondContact O-N 3.03Å |
| 87 | P | 43.1 | Very low | 46.7 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | -60.5 | 132.5 | 174.9 | 24.5 | -30.5 | 0 | 0 | 0 | 108.3 | S89 | P87-S89 VanDerWaalsContact C-N 3.28Å; P87-S89 PolarHBondContact O-N 2.95Å |
| 88 | W | 44.3 | Very low | 47 | Very low | 258 Ų | 258 | 137.8 Ų | 137.8 | 98% | 0.977 | 77% | 0.765 | S | S | * | * | | | trans | -66.1 | 89.3 | 177.4 | -68.6 | 11.8 | 0 | 0 | 0 | 108.9 | A86 | A86-W88 PolarHBondContact O-N 3.03Š|
| 89 | S | 45.2 | Very low | 47.2 | Very low | 82 Ų | 82 | 135 Ų | 135 | 57% | 0.573 | 75% | 0.749 | S | S | * | * | | | trans | -73.2 | 131.6 | 163.5 | 175.5 | 0 | 0 | 0 | 0 | 108.2 | P87 C91 | P87-S89 VanDerWaalsContact C-N 3.28Å; P87-S89 PolarHBondContact O-N 2.95Å; S89-C91 PolarHBondContact O-N 2.92Å; S89-C91 PolarHBondContact OG-N 2.98Å; S89-C91 PolarHBondContact OG-SG 3.41Å; S89-C91 VanDerWaalsContact OG-SG 3.38Å |
| 90 | P | 41.8 | Very low | 47.4 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | | | trans | -79.9 | 49.7 | 172.6 | 37 | -33.4 | 0 | 0 | 0 | 109.5 | V92 | P90-V92 PolarHBondContact O-N 2.98Å; P90-V92 VanDerWaalsContact O-N 3.08Å |
| 91 | C | 42.3 | Very low | 47.6 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | | | trans | -81.3 | 81 | 161 | -72.1 | 0 | 0 | 0 | 0 | 106.9 | S89 R93 | S89-C91 PolarHBondContact O-N 2.92Å; S89-C91 PolarHBondContact OG-N 2.98Å; S89-C91 PolarHBondContact OG-SG 3.41Å; S89-C91 VanDerWaalsContact OG-SG 3.38Å; C91-R93 PolarHBondContact O-N 3.45Å |
| 92 | V | 44.8 | Very low | 47.5 | Very low | 136 Ų | 136 | 129 Ų | 129 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | | | trans | -62.8 | 85.3 | 162.9 | -177.5 | 0 | 0 | 0 | 0 | 106.6 | P90 R94 | P90-V92 PolarHBondContact O-N 2.98Å; P90-V92 VanDerWaalsContact O-N 3.08Å; V92-R94 VanDerWaalsContact C-N 3.34Å; V92-R94 PolarHBondContact O-N 2.91Å |
| 93 | R | 47.3 | Very low | 48.2 | Very low | 224 Ų | 224 | 130.1 Ų | 130.1 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | | | trans | -69.2 | 100.8 | 167.1 | -160.3 | 176.7 | -169.5 | 177.9 | 2.7 | 104.5 | C91 V95 | C91-R93 PolarHBondContact O-N 3.45Å; R93-V95 VanDerWaalsContact C-N 3.35Å; R93-V95 PolarHBondContact O-N 2.88Å |
| 94 | R | 41.8 | Very low | 48.4 | Very low | 222 Ų | 222 | 127.8 Ų | 127.8 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | | | trans | -53.7 | 104.8 | 170.9 | -159 | -177 | -135.7 | 176.7 | 4.1 | 106.3 | V92 T96 | V92-R94 VanDerWaalsContact C-N 3.34Å; V92-R94 PolarHBondContact O-N 2.91Å; R94-T96 PolarHBondContact O-N 3.21Å |
| 95 | V | 47.8 | Very low | 48.9 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | | | trans | -73.7 | 90.5 | 172.2 | 178.9 | 0 | 0 | 0 | 0 | 104.6 | R93 H97 | R93-V95 VanDerWaalsContact C-N 3.35Å; R93-V95 PolarHBondContact O-N 2.88Å; V95-H97 VanDerWaalsContact C-N 3.33Å; V95-H97 PolarHBondContact O-N 3.1Å |
| 96 | T | 48.8 | Very low | 48.8 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | | | trans | -66.3 | 105 | 163.5 | -32.8 | 0 | 0 | 0 | 0 | 104.6 | R94 C98 | R94-T96 PolarHBondContact O-N 3.21Å; T96-C98 VanDerWaalsContact C-N 3.31Å; T96-C98 PolarHBondContact O-N 3.19Å |
| 97 | H | 48.8 | Very low | 48.6 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | | | trans | -59.7 | 100.2 | 172.5 | -71.3 | -84.1 | 0 | 0 | 0 | 107 | V95 T99 | V95-H97 VanDerWaalsContact C-N 3.33Å; V95-H97 PolarHBondContact O-N 3.1Å; H97-T99 PolarHBondContact O-N 3.21Å; H97-T99 VanDerWaalsContact O-N 3.11Å |
| 98 | C | 51.6 | Low | 49.2 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | | | trans | -64.6 | 113.3 | 165.5 | -70.1 | 0 | 0 | 0 | 0 | 106 | T96 | T96-C98 VanDerWaalsContact C-N 3.31Å; T96-C98 PolarHBondContact O-N 3.19Å |
| 99 | T | 54.6 | Low | 49.7 | Very low | 67 Ų | 67 | 120.8 Ų | 120.8 | 41% | 0.411 | 67% | 0.665 | S | S | . | * | | | trans | -52 | 125.7 | 171.3 | -31.4 | 0 | 0 | 0 | 0 | 107.6 | H97 V101 F109 | H97-T99 PolarHBondContact O-N 3.21Å; H97-T99 VanDerWaalsContact O-N 3.11Å; T99-V101 WeakPolarHBondContact O-CG2 3.29Å; T99-V101 PolarHBondContact O-N 3.34Å; T99-F109 HydrophobicContact CG2-CD2 3.26Å; T99-F109 HydrophobicContact CG2-CE2 3.33Å |
| 100 | P | 53.1 | Low | 50.1 | Low | 82 Ų | 82 | 126.2 Ų | 126.2 | 53% | 0.532 | 70% | 0.699 | S | S | . | * | | | trans | -59.4 | 115.2 | 174.5 | 23.4 | -31.5 | 0 | 0 | 0 | 108.1 | | |
| 101 | V | 54.4 | Low | 50.5 | Low | 89 Ų | 89 | 126.4 Ų | 126.4 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | B | Isolated β-bridge | trans | -90.3 | 126.8 | 176 | -168.5 | 0 | 0 | 0 | 0 | 106.4 | T99 G105 | T99-V101 WeakPolarHBondContact O-CG2 3.29Å; T99-V101 PolarHBondContact O-N 3.34Å; V101-G105 WeakPolarHBondContact CG1-O 3.42Å |
| 102 | G | 52.1 | Low | 51 | Low | 21 Ų | 21 | 127.6 Ų | 127.6 | 22% | 0.216 | 69% | 0.693 | C | S | . | * | | | trans | -60.9 | 163.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | D104 G105 R106 | G102-D104 PolarHBondContact O-N 2.9Å; G102-G105 PolarHBondContact O-N 3.16Å; G102-R106 PolarHBondContact N-O 3.13Å |
| 103 | V | 57.6 | Low | 51.3 | Low | 154 Ų | 154 | 127.1 Ų | 127.1 | 93% | 0.933 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -24.4 | -178.6 | 179.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 104 | D | 52.6 | Low | 51.5 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 78% | 0.775 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 15.1 | 178.8 | -53.5 | -44.3 | 0 | 0 | 0 | 114.8 | G102 R106 | G102-D104 PolarHBondContact O-N 2.9Å; D104-R106 PolarHBondContact O-N 3.34Å |
| 105 | G | 54.8 | Low | 52.1 | Low | 60 Ų | 60 | 115.1 Ų | 115.1 | 62% | 0.619 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 74.4 | 7.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | V101 G102 | V101-G105 WeakPolarHBondContact CG1-O 3.42Å; G102-G105 PolarHBondContact O-N 3.16Å |
| 106 | R | 46.8 | Very low | 52.4 | Low | 200 Ų | 200 | 115.8 Ų | 115.8 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | | | trans | -98.9 | 134.8 | 178.6 | -64.8 | -176.1 | 179.4 | -174.9 | -0 | 111.1 | G102 D104 L108 | G102-R106 PolarHBondContact N-O 3.13Å; D104-R106 PolarHBondContact O-N 3.34Å; R106-L108 PolarHBondContact O-N 3Å |
| 107 | S | 47.3 | Very low | 52.7 | Low | 70 Ų | 70 | 116.1 Ų | 116.1 | 49% | 0.49 | 67% | 0.667 | S | S | . | * | B | Isolated β-bridge | trans | -55.6 | 127.9 | 170.9 | 159.3 | 0 | 0 | 0 | 0 | 109.6 | F109 | S107-F109 PolarHBondContact O-N 2.87Å; S107-F109 PolarHBondContact OG-N 3.28Å |
| 108 | L | 55.4 | Low | 53 | Low | 122 Ų | 122 | 112.3 Ų | 112.3 | 64% | 0.639 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -80.8 | 9.7 | 179.7 | -72.5 | 168.8 | 0 | 0 | 0 | 114 | R106 | R106-L108 PolarHBondContact O-N 3Š|
| 109 | F | 54.5 | Low | 53.1 | Low | 136 Ų | 136 | 111.8 Ų | 111.8 | 60% | 0.596 | 65% | 0.648 | S | S | * | * | | | trans | -88.7 | 138.8 | 171.3 | -75.3 | -87.9 | 0 | 0 | 0 | 110.7 | T99 S107 | T99-F109 HydrophobicContact CG2-CD2 3.26Å; T99-F109 HydrophobicContact CG2-CE2 3.33Å; S107-F109 PolarHBondContact O-N 2.87Å; S107-F109 PolarHBondContact OG-N 3.28Å |
| 110 | P | 54 | Low | 53 | Low | 196 Ų | 196 | 115.9 Ų | 115.9 | 100% | 1.273 | 67% | 0.67 | S | S | * | * | | | trans | -64.7 | 0 | 174.5 | 28.6 | -34 | 0 | 0 | 0 | 112.6 | | |