| 1 | M | 52.3 | Low | 58.7 | Low | 222 Ų | 222 | 136.5 Ų | 136.5 | 100% | 1.094 | 71% | 0.713 | S | S | * | * | | | | 0 | 55.2 | 0 | -68.6 | 174.4 | 160.4 | 0 | 0 | 110.3 | | |
| 2 | A | 59.2 | Low | 59.1 | Low | 82 Ų | 82 | 140.5 Ų | 140.5 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | | | trans | -110.2 | 0.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 3 | S | 61.6 | Low | 59.2 | Low | 84 Ų | 84 | 139.3 Ų | 139.3 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -93.4 | -17.6 | -175.5 | 51.7 | 0 | 0 | 0 | 0 | 114 | N7 | S3-N7 PolarHBondContact O-ND2 3.02Å |
| 4 | E | 61.6 | Low | 59.1 | Low | 142 Ų | 142 | 136.1 Ų | 136.1 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -84.3 | -31.7 | -177.7 | -69.7 | 177 | 163.2 | 0 | 0 | 112.1 | N8 | E4-N8 PolarHBondContact O-ND2 3.18Å |
| 5 | E | 58.4 | Low | 59 | Low | 149 Ų | 149 | 133.4 Ų | 133.4 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -73.7 | -35.7 | 176.5 | -68.7 | -166.9 | 144.9 | 0 | 0 | 112.6 | N7 N8 L9 | E5-N7 VanDerWaalsContact C-N 3.28Å; E5-N7 PolarHBondContact O-N 3.3Å; E5-N8 PolarHBondContact O-N 3.05Å; E5-L9 WeakPolarHBondContact O-CD1 3.33Å |
| 6 | L | 57.8 | Low | 59 | Low | 132 Ų | 132 | 138.9 Ų | 138.9 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -66.7 | -30.3 | 178.8 | -139.2 | 90.3 | 0 | 0 | 0 | 112.5 | N8 L9 | L6-N8 VanDerWaalsContact C-N 3.28Å; L6-N8 PolarHBondContact O-N 2.77Å; L6-L9 PolarHBondContact O-N 3.05Å |
| 7 | N | 58.5 | Low | 59 | Low | 122 Ų | 122 | 144.9 Ų | 144.9 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -72.5 | -19.5 | 178.5 | -98 | -47.6 | 0 | 0 | 0 | 113.4 | S3 E5 | S3-N7 PolarHBondContact O-ND2 3.02Å; E5-N7 VanDerWaalsContact C-N 3.28Å; E5-N7 PolarHBondContact O-N 3.3Å |
| 8 | N | 60.6 | Low | 59.5 | Low | 104 Ų | 104 | 142.7 Ų | 142.7 | 56% | 0.556 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -85.7 | -18.8 | 178 | -72 | -40.7 | 0 | 0 | 0 | 113.3 | E4 E5 L6 | E4-N8 PolarHBondContact O-ND2 3.18Å; E5-N8 PolarHBondContact O-N 3.05Å; L6-N8 VanDerWaalsContact C-N 3.28Å; L6-N8 PolarHBondContact O-N 2.77Å |
| 9 | L | 58.3 | Low | 60.1 | Low | 150 Ų | 150 | 145.4 Ų | 145.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -80 | -15.2 | 174.1 | -82.6 | 96.7 | 0 | 0 | 0 | 113.7 | E5 L6 R11 | E5-L9 WeakPolarHBondContact O-CD1 3.33Å; L6-L9 PolarHBondContact O-N 3.05Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 3.06Å |
| 10 | V | 58.8 | Low | 60.3 | Low | 110 Ų | 110 | 142.5 Ų | 142.5 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 32.6 | 177.6 | -164 | 0 | 0 | 0 | 0 | 111.1 | K12 | V10-K12 PolarHBondContact O-N 2.88Å; V10-K12 VanDerWaalsContact O-N 3.11Å |
| 11 | R | 58.8 | Low | 60.9 | Low | 204 Ų | 204 | 140.7 Ų | 140.7 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | | | trans | -78.2 | 97.9 | 166.1 | -116.7 | -175.2 | 173.2 | 94.1 | -1.7 | 108 | L9 | L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 3.06Å |
| 12 | K | 63.3 | Low | 61.7 | Low | 185 Ų | 185 | 136 Ų | 136 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | | | trans | -44 | 133.7 | 169.3 | -71.9 | 176 | 178.3 | 175.7 | 0 | 108.9 | V10 S14 | V10-K12 PolarHBondContact O-N 2.88Å; V10-K12 VanDerWaalsContact O-N 3.11Å; K12-S14 PolarHBondContact O-N 3.01Å |
| 13 | P | 60.8 | Low | 62.2 | Low | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | | | trans | -58.8 | 112.6 | 174.6 | 22.8 | -29.2 | 0 | 0 | 0 | 107 | A15 | P13-A15 PolarHBondContact O-N 2.75Š|
| 14 | S | 57.7 | Low | 62.4 | Low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | | | trans | -58.5 | 107.1 | 177.2 | 179.1 | 0 | 0 | 0 | 0 | 107.1 | K12 R16 | K12-S14 PolarHBondContact O-N 3.01Å; S14-R16 PolarHBondContact O-N 3.17Å |
| 15 | A | 57.8 | Low | 62.4 | Low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | | | trans | -71.6 | 32.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | P13 R17 | P13-A15 PolarHBondContact O-N 2.75Å; A15-R17 PolarHBondContact O-N 2.96Å |
| 16 | R | 58.8 | Low | 62.7 | Low | 222 Ų | 222 | 126.1 Ų | 126.1 | 84% | 0.838 | 66% | 0.663 | S | S | * | * | | | trans | -69.4 | 81.4 | 161 | -85.3 | -170.6 | 175 | -161 | -1 | 106.9 | S14 S18 | S14-R16 PolarHBondContact O-N 3.17Å; R16-S18 VanDerWaalsContact C-N 3.29Å; R16-S18 PolarHBondContact O-N 3.08Å |
| 17 | R | 58.8 | Low | 63 | Low | 240 Ų | 240 | 124.5 Ų | 124.5 | 91% | 0.906 | 66% | 0.655 | S | S | * | * | | | trans | -52 | 99.5 | 157.8 | -74.8 | 177.2 | 157.2 | -170.4 | -6.6 | 106.4 | A15 K19 | A15-R17 PolarHBondContact O-N 2.96Å; R17-K19 PolarHBondContact O-N 2.96Å |
| 18 | S | 67.8 | Low | 63 | Low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -55 | 139.5 | 159.7 | 42.4 | 0 | 0 | 0 | 0 | 106.7 | R16 | R16-S18 VanDerWaalsContact C-N 3.29Å; R16-S18 PolarHBondContact O-N 3.08Å |
| 19 | K | 70.3 | Confident | 62.9 | Low | 195 Ų | 195 | 125.6 Ų | 125.6 | 85% | 0.848 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 133.1 | 172.5 | -95 | 171.8 | 175.5 | 172.9 | 0 | 107.5 | R17 D21 | R17-K19 PolarHBondContact O-N 2.96Å; K19-D21 PolarHBondContact O-N 3.03Å |
| 20 | P | 65.4 | Low | 62.8 | Low | 86 Ų | 86 | 127.1 Ų | 127.1 | 56% | 0.558 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 130.7 | 174.1 | 25.1 | -31.8 | 0 | 0 | 0 | 107.6 | M22 L25 | P20-M22 PolarHBondContact O-N 2.95Å; P20-L25 HydrophobicContact CB-CD1 3.9Å; P20-L25 HydrophobicContact CG-CD1 4.48Å |
| 21 | D | 72.4 | Confident | 62.8 | Low | 106 Ų | 106 | 128.9 Ų | 128.9 | 57% | 0.567 | 65% | 0.653 | S | S | * | * | | | trans | -66.8 | 108.4 | 172.3 | -176.3 | -3 | 0 | 0 | 0 | 107.7 | K19 A23 A24 L25 | K19-D21 PolarHBondContact O-N 3.03Å; D21-A23 PolarHBondContact O-N 2.91Å; D21-A23 WeakPolarHBondContact OD1-CB 3.31Å; D21-A23 PolarHBondContact OD1-N 2.86Å; D21-A24 HydrophobicContact CB-CB 4Å; D21-A24 PolarHBondContact O-N 3.18Å; D21-L25 PolarHBondContact O-N 3.26Å; D21-L25 VanDerWaalsContact O-N 3.12Å |
| 22 | M | 68.9 | Low | 62.6 | Low | 124 Ų | 124 | 126.9 Ų | 126.9 | 61% | 0.611 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.5 | -27.8 | -178.8 | -66.3 | -60.5 | -61.5 | 0 | 0 | 111.3 | P20 L25 V26 | P20-M22 PolarHBondContact O-N 2.95Å; M22-L25 PolarHBondContact O-N 2.94Å; M22-L25 HydrophobicContact SD-CD1 4.05Å; M22-V26 VanDerWaalsContact O-CG2 3.27Å; M22-V26 WeakPolarHBondContact O-CG2 3.27Å; M22-V26 PolarHBondContact O-N 3.04Å |
| 23 | A | 70.5 | Confident | 62.1 | Low | 56 Ų | 56 | 125.5 Ų | 125.5 | 46% | 0.463 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67.5 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D21 L25 V26 D27 | D21-A23 PolarHBondContact O-N 2.91Å; D21-A23 WeakPolarHBondContact OD1-CB 3.31Å; D21-A23 PolarHBondContact OD1-N 2.86Å; A23-L25 VanDerWaalsContact C-N 3.31Å; A23-L25 PolarHBondContact O-N 2.71Å; A23-V26 PolarHBondContact O-N 3.26Å; A23-D27 PolarHBondContact O-N 3.28Å |
| 24 | A | 65.3 | Low | 61.9 | Low | 45 Ų | 45 | 122 Ų | 122 | 37% | 0.372 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.6 | -35 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | D21 Q28 | D21-A24 HydrophobicContact CB-CB 4Å; D21-A24 PolarHBondContact O-N 3.18Å; A24-Q28 WeakPolarHBondContact O-CB 3.4Å; A24-Q28 WeakPolarHBondContact O-CG 3.43Å; A24-Q28 PolarHBondContact O-N 3.46Å |
| 25 | L | 61.8 | Low | 61.9 | Low | 72 Ų | 72 | 123.7 Ų | 123.7 | 38% | 0.377 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.6 | -39.1 | 175.3 | -70.9 | 177.9 | 0 | 0 | 0 | 112.7 | P20 D21 M22 A23 Q28 Q29 | P20-L25 HydrophobicContact CB-CD1 3.9Å; P20-L25 HydrophobicContact CG-CD1 4.48Å; D21-L25 PolarHBondContact O-N 3.26Å; D21-L25 VanDerWaalsContact O-N 3.12Å; M22-L25 PolarHBondContact O-N 2.94Å; M22-L25 HydrophobicContact SD-CD1 4.05Å; A23-L25 VanDerWaalsContact C-N 3.31Å; A23-L25 PolarHBondContact O-N 2.71Å; L25-Q28 PolarHBondContact O-N 2.96Å; L25-Q29 WeakPolarHBondContact O-CG 3.34Å; L25-Q29 PolarHBondContact O-N 2.87Å |
| 26 | V | 64.8 | Low | 61.7 | Low | 76 Ų | 76 | 129.6 Ų | 129.6 | 46% | 0.461 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.8 | -39 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | M22 A23 Q29 R30 | M22-V26 VanDerWaalsContact O-CG2 3.27Å; M22-V26 WeakPolarHBondContact O-CG2 3.27Å; M22-V26 PolarHBondContact O-N 3.04Å; A23-V26 PolarHBondContact O-N 3.26Å; V26-Q29 WeakPolarHBondContact O-CB 3.11Å; V26-Q29 PolarHBondContact O-N 3.08Å; V26-R30 PolarHBondContact O-N 3.18Å |
| 27 | D | 62.8 | Low | 61.4 | Low | 97 Ų | 97 | 123.1 Ų | 123.1 | 52% | 0.519 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.7 | -36.6 | 175.8 | -73.2 | -21.2 | 0 | 0 | 0 | 112.2 | A23 Q29 R30 L31 | A23-D27 PolarHBondContact O-N 3.28Å; D27-Q29 VanDerWaalsContact C-N 3.33Å; D27-R30 WeakPolarHBondContact O-CB 3.29Å; D27-R30 PolarHBondContact O-N 3.48Å; D27-L31 PolarHBondContact O-N 3.42Å |
| 28 | Q | 59.7 | Low | 61 | Low | 108 Ų | 108 | 122.2 Ų | 122.2 | 51% | 0.505 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.9 | -37.7 | 170.4 | -76.2 | -168.5 | -48.1 | 0 | 0 | 111.8 | A24 L25 R30 L31 F32 | A24-Q28 WeakPolarHBondContact O-CB 3.4Å; A24-Q28 WeakPolarHBondContact O-CG 3.43Å; A24-Q28 PolarHBondContact O-N 3.46Å; L25-Q28 PolarHBondContact O-N 2.96Å; Q28-R30 VanDerWaalsContact C-N 3.3Å; Q28-R30 PolarHBondContact O-N 2.78Å; Q28-L31 PolarHBondContact O-N 3.47Å; Q28-L31 VanDerWaalsContact O-N 3.13Å; Q28-F32 WeakPolarHBondContact O-CD2 3.46Å; Q28-F32 PolarHBondContact O-N 3.12Å; Q28-F32 VanDerWaalsContact O-N 3.14Å |
| 29 | Q | 57.7 | Low | 60.6 | Low | 141 Ų | 141 | 125.3 Ų | 125.3 | 66% | 0.659 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.8 | -30.8 | 174 | -79.4 | -178.2 | -33.1 | 0 | 0 | 113.1 | L25 V26 D27 L31 F32 Q33 | L25-Q29 WeakPolarHBondContact O-CG 3.34Å; L25-Q29 PolarHBondContact O-N 2.87Å; V26-Q29 WeakPolarHBondContact O-CB 3.11Å; V26-Q29 PolarHBondContact O-N 3.08Å; D27-Q29 VanDerWaalsContact C-N 3.33Å; Q29-L31 VanDerWaalsContact C-N 3.31Å; Q29-F32 CarbonylContact O-C 3.44Å; Q29-F32 PolarHBondContact O-N 3.04Å; Q29-Q33 PolarHBondContact O-N 2.97Å |
| 30 | R | 57.6 | Low | 59.9 | Low | 182 Ų | 182 | 119.7 Ų | 119.7 | 69% | 0.687 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.8 | -36.4 | 171 | -88.5 | -173.9 | -169.4 | -131.5 | 3.8 | 112.5 | V26 D27 Q28 F32 Q33 | V26-R30 PolarHBondContact O-N 3.18Å; D27-R30 WeakPolarHBondContact O-CB 3.29Å; D27-R30 PolarHBondContact O-N 3.48Å; Q28-R30 VanDerWaalsContact C-N 3.3Å; Q28-R30 PolarHBondContact O-N 2.78Å; R30-F32 VanDerWaalsContact C-N 3.34Å; R30-Q33 WeakPolarHBondContact O-CG 3.46Å; R30-Q33 PolarHBondContact O-N 2.92Å |
| 31 | L | 57.7 | Low | 59.5 | Low | 148 Ų | 148 | 121.7 Ų | 121.7 | 78% | 0.775 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73.6 | -28 | 178.5 | -68.1 | 167.5 | 0 | 0 | 0 | 112.3 | D27 Q28 Q29 Q33 | D27-L31 PolarHBondContact O-N 3.42Å; Q28-L31 PolarHBondContact O-N 3.47Å; Q28-L31 VanDerWaalsContact O-N 3.13Å; Q29-L31 VanDerWaalsContact C-N 3.31Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 3.41Å |
| 32 | F | 55.7 | Low | 58.7 | Low | 162 Ų | 162 | 125.3 Ų | 125.3 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 33.1 | 172.6 | -63.3 | -70.8 | 0 | 0 | 0 | 113 | Q28 Q29 R30 S34 | Q28-F32 WeakPolarHBondContact O-CD2 3.46Å; Q28-F32 PolarHBondContact O-N 3.12Å; Q28-F32 VanDerWaalsContact O-N 3.14Å; Q29-F32 CarbonylContact O-C 3.44Å; Q29-F32 PolarHBondContact O-N 3.04Å; R30-F32 VanDerWaalsContact C-N 3.34Å; F32-S34 PolarHBondContact O-N 2.7Å |
| 33 | Q | 52.2 | Low | 57.9 | Low | 156 Ų | 156 | 127 Ų | 127 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -66.8 | 66.2 | 157.5 | -72.4 | -165.3 | 0.9 | 0 | 0 | 110.2 | Q29 R30 L31 | Q29-Q33 PolarHBondContact O-N 2.97Å; R30-Q33 WeakPolarHBondContact O-CG 3.46Å; R30-Q33 PolarHBondContact O-N 2.92Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 3.41Å |
| 34 | S | 56.1 | Low | 57 | Low | 50 Ų | 50 | 129.7 Ų | 129.7 | 35% | 0.35 | 63% | 0.634 | S | S | . | * | | | trans | 47.9 | 102.9 | 146.1 | -165.7 | 0 | 0 | 0 | 0 | 116.6 | F32 W36 S37 | F32-S34 PolarHBondContact O-N 2.7Å; S34-W36 PolarHBondContact O-N 3.36Å; S34-W36 VanDerWaalsContact OG-CA 3.27Å; S34-W36 WeakPolarHBondContact OG-CA 3.42Å; S34-W36 VanDerWaalsContact OG-CB 3.31Å; S34-W36 WeakPolarHBondContact OG-CB 3.32Å; S34-W36 PolarHBondContact OG-N 3.47Å; S34-W36 VanDerWaalsContact OG-N 3.12Å; S34-S37 VanDerWaalsContact O-CB 3.29Å; S34-S37 WeakPolarHBondContact O-CB 3.49Å; S34-S37 PolarHBondContact O-N 2.69Å; S34-S37 PolarHBondContact OG-N 3.14Å |
| 35 | P | 57.3 | Low | 56.4 | Low | 132 Ų | 132 | 136.3 Ų | 136.3 | 86% | 0.857 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -14.1 | 155.6 | -18 | 30.2 | 0 | 0 | 0 | 112.6 | | |
| 36 | W | 53.8 | Low | 56.1 | Low | 218 Ų | 218 | 137.8 Ų | 137.8 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 16.2 | 177.4 | -57.6 | 70.7 | 0 | 0 | 0 | 112 | S34 R38 | S34-W36 PolarHBondContact O-N 3.36Å; S34-W36 VanDerWaalsContact OG-CA 3.27Å; S34-W36 WeakPolarHBondContact OG-CA 3.42Å; S34-W36 VanDerWaalsContact OG-CB 3.31Å; S34-W36 WeakPolarHBondContact OG-CB 3.32Å; S34-W36 PolarHBondContact OG-N 3.47Å; S34-W36 VanDerWaalsContact OG-N 3.12Å; W36-R38 PolarHBondContact O-N 3.41Å |
| 37 | S | 52.6 | Low | 55.7 | Low | 87 Ų | 87 | 141 Ų | 141 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | | | trans | -60.5 | 86.7 | 161.8 | 177.1 | 0 | 0 | 0 | 0 | 105.9 | S34 K39 | S34-S37 VanDerWaalsContact O-CB 3.29Å; S34-S37 WeakPolarHBondContact O-CB 3.49Å; S34-S37 PolarHBondContact O-N 2.69Å; S34-S37 PolarHBondContact OG-N 3.14Å; S37-K39 PolarHBondContact O-N 3.44Å |
| 38 | R | 51.5 | Low | 55.1 | Low | 220 Ų | 220 | 141.9 Ų | 141.9 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | | | trans | -59.7 | 96.3 | 173.2 | -79.3 | -179.8 | 135.5 | 148.9 | -3.6 | 104.8 | W36 | W36-R38 PolarHBondContact O-N 3.41Š|
| 39 | K | 58.4 | Low | 54.9 | Low | 170 Ų | 170 | 142 Ų | 142 | 74% | 0.739 | 71% | 0.706 | S | S | * | * | | | trans | -43.8 | 128 | 159.5 | -69.2 | 179.1 | 178.4 | 179.6 | 0 | 105.7 | S37 L41 | S37-K39 PolarHBondContact O-N 3.44Å; K39-L41 PolarHBondContact O-N 3.13Å |
| 40 | P | 54.8 | Low | 54.7 | Low | 78 Ų | 78 | 141 Ų | 141 | 51% | 0.506 | 71% | 0.709 | S | S | . | * | | | trans | -52.7 | 119.6 | 177.5 | 20 | -29.4 | 0 | 0 | 0 | 107.3 | F42 Q43 | P40-F42 HydrophobicContact CB-CD2 4.45Å; P40-F42 PolarHBondContact O-N 3.34Å; P40-Q43 PolarHBondContact O-N 2.93Å |
| 41 | L | 57.2 | Low | 54.6 | Low | 128 Ų | 128 | 138.1 Ų | 138.1 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -61.7 | -0.8 | 179.2 | -78.6 | 165.1 | 0 | 0 | 0 | 112.4 | K39 L44 | K39-L41 PolarHBondContact O-N 3.13Å; L41-L44 HydrophobicContact CD2-CD1 4.29Å |
| 42 | F | 56.2 | Low | 54.2 | Low | 182 Ų | 182 | 135.9 Ų | 135.9 | 80% | 0.798 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -87.7 | 4.5 | 178.6 | -56.5 | -71.2 | 0 | 0 | 0 | 114.3 | P40 | P40-F42 HydrophobicContact CB-CD2 4.45Å; P40-F42 PolarHBondContact O-N 3.34Å |
| 43 | Q | 52.2 | Low | 54.3 | Low | 158 Ų | 158 | 135.7 Ų | 135.7 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -95.2 | 9.6 | 167.9 | -71.8 | -179.6 | -68.8 | 0 | 0 | 113.6 | P40 E45 | P40-Q43 PolarHBondContact O-N 2.93Å; Q43-E45 PolarHBondContact O-N 3.41Å |
| 44 | L | 52.1 | Low | 54.1 | Low | 113 Ų | 113 | 136.5 Ų | 136.5 | 59% | 0.592 | 72% | 0.717 | S | S | * | * | | | trans | -88.8 | 46.2 | 171.7 | -86.3 | 159.7 | 0 | 0 | 0 | 111.5 | L41 S46 | L41-L44 HydrophobicContact CD2-CD1 4.29Å; L44-S46 PolarHBondContact O-N 3.27Å |
| 45 | E | 52.6 | Low | 53.7 | Low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 11 | 179.1 | -64.9 | -174.4 | 155.2 | 0 | 0 | 113.9 | Q43 | Q43-E45 PolarHBondContact O-N 3.41Š|
| 46 | S | 55.9 | Low | 53.3 | Low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | -0 | -163 | 162.5 | 0 | 0 | 0 | 0 | 117.8 | L44 | L44-S46 PolarHBondContact O-N 3.27Š|
| 47 | L | 54.6 | Low | 52.8 | Low | 143 Ų | 143 | 135.3 Ų | 135.3 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -136.8 | 13.3 | -171.4 | -71.6 | 172.9 | 0 | 0 | 0 | 117.2 | | |
| 48 | V | 51.9 | Low | 52.5 | Low | 117 Ų | 117 | 135 Ų | 135 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | | | trans | -107.1 | 116.9 | 168.3 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | V50 | V48-V50 VanDerWaalsContact C-N 3.33Å; V48-V50 PolarHBondContact O-N 3.42Å |
| 49 | P | 53.7 | Low | 52.2 | Low | 109 Ų | 109 | 133.4 Ų | 133.4 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | | | trans | -64.9 | 101.4 | 161.7 | 1.2 | 12.4 | 0 | 0 | 0 | 106.8 | V51 | P49-V51 PolarHBondContact O-N 3.25Š|
| 50 | V | 54.6 | Low | 51.7 | Low | 120 Ų | 120 | 130.9 Ų | 130.9 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -68.4 | 89.8 | 165 | 179.9 | 0 | 0 | 0 | 0 | 105.9 | V48 S52 | V48-V50 VanDerWaalsContact C-N 3.33Å; V48-V50 PolarHBondContact O-N 3.42Å; V50-S52 PolarHBondContact O-N 2.93Å |
| 51 | V | 54.7 | Low | 51.2 | Low | 123 Ų | 123 | 132.3 Ų | 132.3 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | | | trans | -74.4 | 99.2 | 161.2 | -92.3 | 0 | 0 | 0 | 0 | 106.6 | P49 L53 | P49-V51 PolarHBondContact O-N 3.25Å; V51-L53 PolarHBondContact O-N 3.06Å |
| 52 | S | 49.2 | Very low | 50.5 | Low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | trans | -59.6 | 100.3 | 170.3 | -54.6 | 0 | 0 | 0 | 0 | 108.7 | V50 H54 | V50-S52 PolarHBondContact O-N 2.93Å; S52-H54 PolarHBondContact O-N 2.98Å |
| 53 | L | 58.6 | Low | 50.1 | Low | 158 Ų | 158 | 131.2 Ų | 131.2 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | | | trans | -82.3 | 48.4 | 173.6 | -146.6 | 93.1 | 0 | 0 | 0 | 110.1 | V51 | V51-L53 PolarHBondContact O-N 3.06Š|
| 54 | H | 46.9 | Very low | 49.9 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | | | trans | -145.3 | 65.6 | -178.8 | -73 | -70.7 | 0 | 0 | 0 | 109.7 | S52 | S52-H54 PolarHBondContact O-N 2.98Š|
| 55 | D | 49.2 | Very low | 49.8 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | -159.4 | 21.1 | 149.5 | -124.1 | -9.8 | 0 | 0 | 0 | 114 | G57 | D55-G57 PolarHBondContact O-N 3.24Š|
| 56 | V | 48.4 | Very low | 49.6 | Very low | 159 Ų | 159 | 137 Ų | 137 | 96% | 0.964 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -90.6 | 65.7 | 167.8 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 57 | G | 44.4 | Very low | 49.2 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -174.8 | 31.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D55 | D55-G57 PolarHBondContact O-N 3.24Š|
| 58 | S | 44.8 | Very low | 48.9 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 57% | 0.566 | 79% | 0.791 | S | S | * | * | | | trans | -162.1 | 80.7 | 168.8 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 59 | H | 46.3 | Very low | 48.7 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | -160.1 | 97.9 | 144.3 | -90.6 | -50.5 | 0 | 0 | 0 | 109.5 | | |
| 60 | P | 47.2 | Very low | 48.2 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -88.9 | 105.3 | 161.7 | 32.4 | -23.3 | 0 | 0 | 0 | 107.7 | | |
| 61 | S | 43.9 | Very low | 47.5 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | 146.6 | 99.6 | 152.9 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 62 | S | 43 | Very low | 47.1 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | 173.6 | 72.9 | 139.8 | 42.5 | 0 | 0 | 0 | 0 | 106.6 | E64 | S62-E64 PolarHBondContact O-N 3.07Š|
| 63 | I | 48.8 | Very low | 46.9 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -75.1 | 85.9 | 156.5 | -67.4 | 161.9 | 0 | 0 | 0 | 104.5 | | |
| 64 | E | 47.7 | Very low | 46.3 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | -130.1 | 91.9 | 165.9 | -144.1 | 170.9 | -164.9 | 0 | 0 | 108.6 | S62 L66 | S62-E64 PolarHBondContact O-N 3.07Å; E64-L66 PolarHBondContact O-N 3.39Å |
| 65 | R | 49.4 | Very low | 46.4 | Very low | 235 Ų | 235 | 139.6 Ų | 139.6 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | trans | 3.9 | 101 | 154.4 | -61.6 | -179.9 | 167.4 | 100.5 | -0.1 | 114.4 | | |
| 66 | L | 49.4 | Very low | 46.4 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | | | trans | -114.1 | 122.9 | 158.2 | -108.9 | 161.3 | 0 | 0 | 0 | 108.4 | E64 | E64-L66 PolarHBondContact O-N 3.39Š|
| 67 | D | 46.4 | Very low | 46.3 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | trans | -53.5 | 134.2 | -165.6 | -85.3 | -48.6 | 0 | 0 | 0 | 114.6 | T69 | D67-T69 PolarHBondContact O-N 3.44Š|
| 68 | M | 49.5 | Very low | 46.7 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -65.1 | 90.2 | 162.2 | -74.6 | -76.7 | 162.3 | 0 | 0 | 109.3 | | |
| 69 | T | 46.2 | Very low | 46.9 | Very low | 133 Ų | 133 | 153.8 Ų | 153.8 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | 175.1 | 94.4 | 148 | 44.3 | 0 | 0 | 0 | 0 | 109 | D67 | D67-T69 PolarHBondContact O-N 3.44Š|
| 70 | S | 44.2 | Very low | 47.1 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | 175.1 | 103.9 | 146.4 | 170.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 71 | S | 39.4 | Very low | 47.6 | Very low | 108 Ų | 108 | 152.2 Ų | 152.2 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | 23.7 | 104.2 | 136.5 | 173.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 72 | V | 45.7 | Very low | 48.1 | Very low | 136 Ų | 136 | 152.6 Ų | 152.6 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | 172.3 | 144.9 | 138.9 | 149.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 73 | A | 46.5 | Very low | 48.3 | Very low | 88 Ų | 88 | 151.9 Ų | 151.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | 79.4 | 91.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 74 | E | 44.5 | Very low | 48.4 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | | -135.6 | 95.2 | 122.4 | -122.7 | 179.2 | 176.3 | 0 | 0 | 112.6 | | |
| 75 | K | 49.7 | Very low | 48.7 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 55% | 0.552 | 78% | 0.777 | S | S | * | * | | | trans | 54.1 | 92.7 | 134.3 | -59.2 | 173 | -162.9 | 144.4 | 0 | 115.2 | F77 | K75-F77 HydrophobicContact CB-CD2 3.48Å; K75-F77 VanDerWaalsContact CB-CD2 3.48Å; K75-F77 HydrophobicContact CB-CE2 3.37Å; K75-F77 HydrophobicContact CB-CG 4.27Å; K75-F77 HydrophobicContact CB-CZ 4.08Å; K75-F77 HydrophobicContact CD-CD2 4.29Å; K75-F77 HydrophobicContact CD-CE1 4.31Å; K75-F77 HydrophobicContact CD-CE2 3.32Å; K75-F77 HydrophobicContact CD-CZ 3.34Å; K75-F77 HydrophobicContact CG-CD2 4.48Å; K75-F77 HydrophobicContact CG-CE2 3.94Å; K75-F77 HydrophobicContact CG-CZ 4.24Å; K75-F77 PolarHBondContact O-N 3.12Å |
| 76 | R | 48.3 | Very low | 48.9 | Very low | 246 Ų | 246 | 145.9 Ų | 145.9 | 93% | 0.928 | 77% | 0.772 | S | S | * | * | | | trans | -51.8 | 80.8 | 138.9 | -66.9 | 177.2 | 178.8 | 164.7 | -0.2 | 108.7 | L78 | R76-L78 PolarHBondContact O-N 3.46Š|
| 77 | F | 46.7 | Very low | 49.4 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | trans | -69.8 | 102.6 | 164.2 | -80.9 | -76.4 | 0 | 0 | 0 | 106.7 | K75 K79 | K75-F77 HydrophobicContact CB-CD2 3.48Å; K75-F77 VanDerWaalsContact CB-CD2 3.48Å; K75-F77 HydrophobicContact CB-CE2 3.37Å; K75-F77 HydrophobicContact CB-CG 4.27Å; K75-F77 HydrophobicContact CB-CZ 4.08Å; K75-F77 HydrophobicContact CD-CD2 4.29Å; K75-F77 HydrophobicContact CD-CE1 4.31Å; K75-F77 HydrophobicContact CD-CE2 3.32Å; K75-F77 HydrophobicContact CD-CZ 3.34Å; K75-F77 HydrophobicContact CG-CD2 4.48Å; K75-F77 HydrophobicContact CG-CE2 3.94Å; K75-F77 HydrophobicContact CG-CZ 4.24Å; K75-F77 PolarHBondContact O-N 3.12Å; F77-K79 PolarHBondContact O-N 3.42Å |
| 78 | L | 52.3 | Low | 49.7 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | | | trans | -48.3 | 124.5 | 166.7 | -82.8 | 91.1 | 0 | 0 | 0 | 108.1 | R76 H80 | R76-L78 PolarHBondContact O-N 3.46Å; L78-H80 PolarHBondContact O-N 3.22Å |
| 79 | K | 50.5 | Low | 50.1 | Low | 206 Ų | 206 | 144.6 Ų | 144.6 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | | | trans | -42.4 | 99.2 | 169.7 | -147.5 | 160.7 | -177.5 | 175.6 | 0 | 109 | F77 P81 | F77-K79 PolarHBondContact O-N 3.42Å; K79-P81 WeakPolarHBondContact O-CD 3.35Å |
| 80 | H | 50.9 | Low | 50.4 | Low | 160 Ų | 160 | 146.8 Ų | 146.8 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | trans | -61.9 | 121.3 | 170.5 | -78.4 | -86.7 | 0 | 0 | 0 | 107.3 | L78 S82 | L78-H80 PolarHBondContact O-N 3.22Å; H80-S82 PolarHBondContact O-N 3.35Å |
| 81 | P | 56.4 | Low | 50.8 | Low | 109 Ų | 109 | 145.8 Ų | 145.8 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | trans | -64.3 | 115.3 | 162.9 | 26.7 | -28.7 | 0 | 0 | 0 | 105.6 | K79 V83 | K79-P81 WeakPolarHBondContact O-CD 3.35Å; P81-V83 HydrophobicContact CB-CG2 4.44Å; P81-V83 PolarHBondContact O-N 3.48Å |
| 82 | S | 53.9 | Low | 51.6 | Low | 118 Ų | 118 | 148.4 Ų | 148.4 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | | | trans | -62.2 | 79.8 | 170.1 | 47.7 | 0 | 0 | 0 | 0 | 108.9 | H80 S84 | H80-S82 PolarHBondContact O-N 3.35Å; S82-S84 VanDerWaalsContact C-N 3.26Å; S82-S84 PolarHBondContact O-N 2.98Å |
| 83 | V | 49.1 | Very low | 52.2 | Low | 97 Ų | 97 | 150.4 Ų | 150.4 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | | | trans | -75.4 | 89.2 | 168.5 | -171.9 | 0 | 0 | 0 | 0 | 106.2 | P81 F85 | P81-V83 HydrophobicContact CB-CG2 4.44Å; P81-V83 PolarHBondContact O-N 3.48Å; V83-F85 VanDerWaalsContact C-N 3.34Å; V83-F85 HydrophobicContact CB-CD2 4.49Å; V83-F85 HydrophobicContact CB-CE2 4.44Å; V83-F85 HydrophobicContact CG1-CD2 3.82Å; V83-F85 HydrophobicContact CG1-CE2 3.66Å; V83-F85 HydrophobicContact CG1-CZ 4.42Å; V83-F85 PolarHBondContact O-N 3.21Å |
| 84 | S | 50.6 | Low | 52.6 | Low | 101 Ų | 101 | 150.5 Ų | 150.5 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | -61.5 | 97.6 | 165.8 | 174.9 | 0 | 0 | 0 | 0 | 108.1 | S82 K86 | S82-S84 VanDerWaalsContact C-N 3.26Å; S82-S84 PolarHBondContact O-N 2.98Å; S84-K86 PolarHBondContact O-N 3.23Å; S84-K86 VanDerWaalsContact O-N 3.08Å |
| 85 | F | 53.6 | Low | 53.2 | Low | 175 Ų | 175 | 148.6 Ų | 148.6 | 77% | 0.768 | 73% | 0.728 | S | S | * | * | | | trans | -73.6 | 95.3 | 165.1 | -90 | -87.1 | 0 | 0 | 0 | 108.1 | V83 I87 | V83-F85 VanDerWaalsContact C-N 3.34Å; V83-F85 HydrophobicContact CB-CD2 4.49Å; V83-F85 HydrophobicContact CB-CE2 4.44Å; V83-F85 HydrophobicContact CG1-CD2 3.82Å; V83-F85 HydrophobicContact CG1-CE2 3.66Å; V83-F85 HydrophobicContact CG1-CZ 4.42Å; V83-F85 PolarHBondContact O-N 3.21Å; F85-I87 VanDerWaalsContact C-N 3.26Å; F85-I87 PolarHBondContact O-N 3.3Å |
| 86 | K | 52.7 | Low | 53.7 | Low | 178 Ų | 178 | 148.1 Ų | 148.1 | 77% | 0.774 | 73% | 0.731 | S | S | * | * | | | trans | -66 | 94.3 | 156.9 | -89.1 | -179.3 | 176.5 | 175.4 | 0 | 107.3 | S84 H88 | S84-K86 PolarHBondContact O-N 3.23Å; S84-K86 VanDerWaalsContact O-N 3.08Å; K86-H88 PolarHBondContact O-N 2.9Å |
| 87 | I | 60.3 | Low | 54.3 | Low | 139 Ų | 139 | 143.7 Ų | 143.7 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | | | trans | -66.7 | 90.1 | 164.4 | -56.2 | 171 | 0 | 0 | 0 | 105.9 | F85 K89 | F85-I87 VanDerWaalsContact C-N 3.26Å; F85-I87 PolarHBondContact O-N 3.3Å; I87-K89 PolarHBondContact O-N 3.11Å |
| 88 | H | 53.4 | Low | 54.8 | Low | 141 Ų | 141 | 143.4 Ų | 143.4 | 65% | 0.653 | 71% | 0.714 | S | S | * | * | | | trans | -60.8 | 124.1 | 166.5 | -112.7 | -109.5 | 0 | 0 | 0 | 106.8 | K86 F90 | K86-H88 PolarHBondContact O-N 2.9Å; H88-F90 PolarHBondContact O-N 2.81Å |
| 89 | K | 56.5 | Low | 55.6 | Low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 22.1 | -177.3 | -73.6 | 176.4 | 169.8 | 174.8 | 0 | 115.2 | I87 | I87-K89 PolarHBondContact O-N 3.11Š|
| 90 | F | 53.1 | Low | 56.6 | Low | 178 Ų | 178 | 136.1 Ų | 136.1 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 2.2 | -169.9 | -103.3 | -87.4 | 0 | 0 | 0 | 115.6 | H88 | H88-F90 PolarHBondContact O-N 2.81Š|
| 91 | C | 53.9 | Low | 57.4 | Low | 94 Ų | 94 | 134.5 Ų | 134.5 | 64% | 0.635 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -116 | 6.3 | -174.8 | -63.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 92 | F | 55.3 | Low | 57.5 | Low | 163 Ų | 163 | 140.5 Ų | 140.5 | 72% | 0.715 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -87.2 | -17.5 | -179.9 | -102.2 | -87.8 | 0 | 0 | 0 | 114.8 | | |
| 93 | F | 57.5 | Low | 57.7 | Low | 178 Ų | 178 | 141.6 Ų | 141.6 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -74.9 | -34.5 | -178.5 | -88 | -86.3 | 0 | 0 | 0 | 115.4 | | |
| 94 | P | 56.6 | Low | 58.1 | Low | 89 Ų | 89 | 143.9 Ų | 143.9 | 58% | 0.578 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73.2 | -27.7 | 177.2 | -17 | 30.6 | 0 | 0 | 0 | 113.7 | | |
| 95 | L | 56.9 | Low | 58.6 | Low | 121 Ų | 121 | 146.3 Ų | 146.3 | 63% | 0.634 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -75.3 | -37.2 | -178.4 | -108.5 | 124 | 0 | 0 | 0 | 112.5 | F98 V99 | L95-F98 PolarHBondContact O-N 3.41Å; L95-V99 PolarHBondContact O-N 2.9Å |
| 96 | L | 58.4 | Low | 58.9 | Low | 117 Ų | 117 | 144.6 Ų | 144.6 | 61% | 0.613 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -69.9 | -35 | 178.3 | -169.6 | 62.5 | 0 | 0 | 0 | 112.1 | F98 V99 T100 | L96-F98 VanDerWaalsContact C-N 3.3Å; L96-F98 PolarHBondContact O-N 2.84Å; L96-V99 PolarHBondContact O-N 2.88Å; L96-T100 PolarHBondContact O-N 3.5Å; L96-T100 PolarHBondContact O-OG1 3.06Å; L96-T100 VanDerWaalsContact O-OG1 3.08Å |
| 97 | Y | 61.2 | Low | 59.2 | Low | 154 Ų | 154 | 142.6 Ų | 142.6 | 60% | 0.604 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -65.4 | -32.4 | 177.7 | -173.4 | -98.9 | 0 | 0 | 0 | 112.9 | T100 Q101 | Y97-T100 PolarHBondContact O-OG1 3.29Å; Y97-Q101 HydrophobicContact CE1-CG 4.43Å; Y97-Q101 WeakPolarHBondContact O-CG 3.27Å |
| 98 | F | 58.2 | Low | 59.2 | Low | 147 Ų | 147 | 142.8 Ų | 142.8 | 65% | 0.645 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -78.8 | -29 | -178 | -141.3 | -89.1 | 0 | 0 | 0 | 113.2 | L95 L96 F102 | L95-F98 PolarHBondContact O-N 3.41Å; L96-F98 VanDerWaalsContact C-N 3.3Å; L96-F98 PolarHBondContact O-N 2.84Å; F98-F102 HydrophobicContact CE1-CD2 4.47Å; F98-F102 HydrophobicContact CE1-CE2 4.12Å |
| 99 | V | 69.4 | Low | 59.6 | Low | 105 Ų | 105 | 142.9 Ų | 142.9 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -79.6 | -23.6 | 178.7 | 176.8 | 0 | 0 | 0 | 0 | 112.1 | L95 L96 | L95-V99 PolarHBondContact O-N 2.9Å; L96-V99 PolarHBondContact O-N 2.88Å |
| 100 | T | 71.2 | Confident | 59.8 | Low | 97 Ų | 97 | 138.8 Ų | 138.8 | 60% | 0.595 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -2.5 | 178.6 | 46.4 | 0 | 0 | 0 | 0 | 114.9 | L96 Y97 | L96-T100 PolarHBondContact O-N 3.5Å; L96-T100 PolarHBondContact O-OG1 3.06Å; L96-T100 VanDerWaalsContact O-OG1 3.08Å; Y97-T100 PolarHBondContact O-OG1 3.29Å |
| 101 | Q | 67.2 | Low | 60.4 | Low | 126 Ų | 126 | 135.5 Ų | 135.5 | 59% | 0.589 | 67% | 0.671 | S | S | * | * | | | trans | -114.2 | 9.7 | -175 | -71.2 | -78.1 | 23.2 | 0 | 0 | 113.7 | Y97 | Y97-Q101 HydrophobicContact CE1-CG 4.43Å; Y97-Q101 WeakPolarHBondContact O-CG 3.27Å |
| 102 | F | 58.8 | Low | 61 | Low | 235 Ų | 235 | 139.3 Ų | 139.3 | 100% | 1.031 | 67% | 0.674 | S | S | * | * | | | trans | -124.7 | 0 | 170.1 | -93.5 | -83 | 0 | 0 | 0 | 109.2 | F98 | F98-F102 HydrophobicContact CE1-CD2 4.47Å; F98-F102 HydrophobicContact CE1-CE2 4.12Å |