| 1 | M | 43.7 | Very low | 68.3 | Low | 214 Ų | 214 | 143.3 Ų | 143.3 | 100% | 1.054 | 78% | 0.782 | S | S | * | * | | | | 0 | 101 | 0 | -73.9 | 163.1 | 64.3 | 0 | 0 | 108.5 | Q3 | M1-Q3 PolarHBondContact O-N 2.86Š|
| 2 | N | 57.2 | Low | 69.8 | Low | 136 Ų | 136 | 141.6 Ų | 141.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -93.8 | 83.3 | -175.5 | -165 | 8.8 | 0 | 0 | 0 | 109.3 | R4 | N2-R4 PolarHBondContact O-N 3.14Š|
| 3 | Q | 64.1 | Low | 71.1 | Confident | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | trans | -87.7 | 73.1 | 178 | -65.3 | -176.3 | 21.5 | 0 | 0 | 110.4 | M1 G5 | M1-Q3 PolarHBondContact O-N 2.86Å; Q3-G5 PolarHBondContact O-N 3.24Å |
| 4 | R | 67.7 | Low | 72.6 | Confident | 229 Ų | 229 | 141.2 Ų | 141.2 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | -88.8 | 51.2 | 168 | -79.1 | 178.3 | 176.5 | 173.8 | -1.1 | 111 | N2 | N2-R4 PolarHBondContact O-N 3.14Š|
| 5 | G | 70.3 | Confident | 74 | Confident | 59 Ų | 59 | 136.4 Ų | 136.4 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -89.9 | 153 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q3 R7 | Q3-G5 PolarHBondContact O-N 3.24Å; G5-R7 PolarHBondContact O-N 3.44Å |
| 6 | A | 72.4 | Confident | 75.4 | Confident | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | | | trans | -54.8 | 124.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V8 | A6-V8 PolarHBondContact O-N 3.08Š|
| 7 | R | 71.1 | Confident | 76.6 | Confident | 248 Ų | 248 | 133.4 Ų | 133.4 | 94% | 0.936 | 71% | 0.712 | S | S | * | * | | | trans | -72 | 99.7 | -177.4 | -170.2 | 178.8 | -175.6 | -166.6 | 0.6 | 108.9 | G5 S9 | G5-R7 PolarHBondContact O-N 3.44Å; R7-S9 PolarHBondContact O-N 3.36Å |
| 8 | V | 73.1 | Confident | 77.7 | Confident | 102 Ų | 102 | 131.4 Ų | 131.4 | 62% | 0.618 | 70% | 0.698 | S | S | * | * | | | trans | -73.4 | 116.8 | 171.3 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | A6 S10 | A6-V8 PolarHBondContact O-N 3.08Å; V8-S10 PolarHBondContact O-N 2.78Å |
| 9 | S | 75.8 | Confident | 78.7 | Confident | 126 Ų | 126 | 127.6 Ų | 127.6 | 88% | 0.881 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -65.6 | -23.2 | -173.4 | -170.5 | 0 | 0 | 0 | 0 | 113.5 | R7 | R7-S9 PolarHBondContact O-N 3.36Š|
| 10 | S | 76.3 | Confident | 79.5 | Confident | 87 Ų | 87 | 125.8 Ų | 125.8 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | | | trans | -144.2 | 87 | 176.2 | -163.4 | 0 | 0 | 0 | 0 | 109.6 | V8 I12 | V8-S10 PolarHBondContact O-N 2.78Å; S10-I12 PolarHBondContact O-N 3.23Å; S10-I12 PolarHBondContact OG-O 3.45Å |
| 11 | P | 79.4 | Confident | 80.2 | Confident | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -72.6 | -9.4 | -176.5 | 29.9 | -34.9 | 0 | 0 | 0 | 113.3 | | |
| 12 | I | 86.3 | Confident | 82.7 | Confident | 123 Ų | 123 | 122.4 Ų | 122.4 | 63% | 0.631 | 64% | 0.641 | S | S | * | * | | | trans | -127.9 | 130.2 | -178.9 | -55.8 | 172.4 | 0 | 0 | 0 | 107.8 | S10 I14 | S10-I12 PolarHBondContact O-N 3.23Å; S10-I12 PolarHBondContact OG-O 3.45Å; I12-I14 HydrophobicContact CG2-CG1 4.19Å |
| 13 | L | 86.8 | Confident | 84.4 | Confident | 121 Ų | 121 | 120.5 Ų | 120.5 | 63% | 0.634 | 63% | 0.628 | S | S | * | * | | | trans | -110.6 | 121.1 | 174.7 | 179 | 64 | 0 | 0 | 0 | 108.8 | I15 L27 | L13-I15 HydrophobicContact CG-CG2 3.91Å; L13-I15 HydrophobicContact CD2-CG2 4.32Å; L13-I15 HydrophobicContact CD1-CG2 3.9Å; L13-L27 HydrophobicContact CD2-CD2 3.94Å |
| 14 | I | 91.6 | Very high | 85.8 | Confident | 157 Ų | 157 | 115 Ų | 115 | 81% | 0.805 | 61% | 0.605 | S | S | * | * | | | trans | -111.3 | 119.8 | 175.8 | -54.1 | 177.4 | 0 | 0 | 0 | 107.7 | I12 | I12-I14 HydrophobicContact CG2-CG1 4.19Š|
| 15 | I | 93.6 | Very high | 86.9 | Confident | 69 Ų | 69 | 106.1 Ų | 106.1 | 35% | 0.354 | 59% | 0.586 | S | S | . | * | | | trans | -137.7 | 159.3 | -177.5 | 55.7 | 173.1 | 0 | 0 | 0 | 110.6 | L13 T19 F20 L27 | L13-I15 HydrophobicContact CG-CG2 3.91Å; L13-I15 HydrophobicContact CD2-CG2 4.32Å; L13-I15 HydrophobicContact CD1-CG2 3.9Å; I15-T19 HydrophobicContact CB-CG2 4.11Å; I15-T19 HydrophobicContact CD1-CG2 4.1Å; I15-T19 HydrophobicContact CG2-CG2 4.22Å; I15-F20 HydrophobicContact CD1-CB 3.87Å; I15-F20 HydrophobicContact CD1-CD2 4.44Å; I15-F20 HydrophobicContact CG1-CB 4.44Å; I15-L27 HydrophobicContact CD1-CD1 3.92Å |
| 16 | S | 96.9 | Very high | 87.7 | Confident | 66 Ų | 66 | 108.2 Ų | 108.2 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | | | trans | -65.5 | 156.8 | 171.4 | 79.5 | 0 | 0 | 0 | 0 | 111.1 | E18 T19 F20 | S16-E18 VanDerWaalsContact C-N 3.25Å; S16-E18 PolarHBondContact O-N 3.45Å; S16-T19 WeakPolarHBondContact O-CB 3.48Å; S16-T19 PolarHBondContact O-N 3.26Å; S16-T19 PolarHBondContact OG-N 2.9Å; S16-T19 VanDerWaalsContact OG-N 3.14Å; S16-T19 PolarHBondContact OG-OG1 3.25Å; S16-F20 PolarHBondContact O-N 3.06Å; S16-F20 VanDerWaalsContact O-N 3.08Å |
| 17 | Y | 95.8 | Very high | 88.3 | Confident | 156 Ų | 156 | 107 Ų | 107 | 61% | 0.612 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.4 | -38.2 | 174.4 | -178.5 | -101.3 | 0 | 0 | 0 | 112.3 | T19 F20 R21 | Y17-T19 VanDerWaalsContact C-N 3.34Å; Y17-T19 PolarHBondContact O-N 2.87Å; Y17-F20 WeakPolarHBondContact O-CB 3.39Å; Y17-F20 PolarHBondContact O-N 3.35Å; Y17-R21 HydrophobicContact CE1-CB 4.44Å; Y17-R21 PolarHBondContact O-N 3.01Å |
| 18 | E | 96.9 | Very high | 88.7 | Confident | 98 Ų | 98 | 102.9 Ų | 102.9 | 46% | 0.458 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61 | -44.5 | 177.8 | -64.5 | -57.4 | 101.7 | 0 | 0 | 111.4 | S16 F20 R21 L22 | S16-E18 VanDerWaalsContact C-N 3.25Å; S16-E18 PolarHBondContact O-N 3.45Å; E18-F20 VanDerWaalsContact C-N 3.33Å; E18-F20 PolarHBondContact O-N 3.16Å; E18-R21 PolarHBondContact OE2-NH2 3.24Å; E18-R21 IonicContact OE2-NH2 2.78Å; E18-R21 IonicContact OE1-CZ 3.62Å; E18-R21 IonicContact OE2-CZ 3.87Å; E18-R21 IonicContact OE1-NH2 3.06Å; E18-R21 PolarHBondContact O-N 2.93Å; E18-R21 VanDerWaalsContact CD-NH2 3.31Å; E18-R21 PolarHBondContact OE1-NH2 3.08Å; E18-L22 WeakPolarHBondContact O-CG 3.47Å; E18-L22 PolarHBondContact O-N 3.18Å |
| 19 | T | 95.6 | Very high | 88.8 | Confident | 58 Ų | 58 | 107 Ų | 107 | 36% | 0.356 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.3 | -44.3 | 175.2 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | I15 S16 Y17 H23 | I15-T19 HydrophobicContact CB-CG2 4.11Å; I15-T19 HydrophobicContact CD1-CG2 4.1Å; I15-T19 HydrophobicContact CG2-CG2 4.22Å; S16-T19 WeakPolarHBondContact O-CB 3.48Å; S16-T19 PolarHBondContact O-N 3.26Å; S16-T19 PolarHBondContact OG-N 2.9Å; S16-T19 VanDerWaalsContact OG-N 3.14Å; S16-T19 PolarHBondContact OG-OG1 3.25Å; Y17-T19 VanDerWaalsContact C-N 3.34Å; Y17-T19 PolarHBondContact O-N 2.87Å; T19-H23 PolarHBondContact O-N 3.39Å; T19-H23 PolarHBondContact O-ND1 3.32Å |
| 20 | F | 94.5 | Very high | 88.3 | Confident | 92 Ų | 92 | 107.3 Ų | 107.3 | 40% | 0.404 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.4 | -51.4 | 178.9 | 175.1 | -97.1 | 0 | 0 | 0 | 111.8 | I15 S16 Y17 E18 L22 H23 V24 L27 | I15-F20 HydrophobicContact CD1-CB 3.87Å; I15-F20 HydrophobicContact CD1-CD2 4.44Å; I15-F20 HydrophobicContact CG1-CB 4.44Å; S16-F20 PolarHBondContact O-N 3.06Å; S16-F20 VanDerWaalsContact O-N 3.08Å; Y17-F20 WeakPolarHBondContact O-CB 3.39Å; Y17-F20 PolarHBondContact O-N 3.35Å; E18-F20 VanDerWaalsContact C-N 3.33Å; E18-F20 PolarHBondContact O-N 3.16Å; F20-L22 VanDerWaalsContact C-N 3.26Å; F20-L22 PolarHBondContact O-N 3.27Å; F20-H23 CarbonylContact O-C 3.57Å; F20-H23 PolarHBondContact O-N 2.92Å; F20-H23 VanDerWaalsContact O-N 3.08Å; F20-V24 PolarHBondContact O-N 3.24Å; F20-V24 WeakPolarHBondContact O-CB 3.45Å; F20-V24 HydrophobicContact CZ-CG2 3.68Å; F20-V24 HydrophobicContact CE2-CG2 4.12Å; F20-V24 HydrophobicContact CE1-CG2 4.12Å; F20-V24 HydrophobicContact CE1-CB 4.47Å; F20-V24 HydrophobicContact CZ-CB 4.35Å; F20-L27 HydrophobicContact CD2-CD1 3.6Å; F20-L27 HydrophobicContact CE2-CD1 4.07Å |
| 21 | R | 94.9 | Very high | 88.9 | Confident | 137 Ų | 137 | 108.4 Ų | 108.4 | 52% | 0.517 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.4 | -36.7 | -176.8 | -176.9 | 173.1 | 62.1 | 179.5 | -3.3 | 112.4 | Y17 E18 | Y17-R21 HydrophobicContact CE1-CB 4.44Å; Y17-R21 PolarHBondContact O-N 3.01Å; E18-R21 PolarHBondContact OE2-NH2 3.24Å; E18-R21 IonicContact OE2-NH2 2.78Å; E18-R21 IonicContact OE1-CZ 3.62Å; E18-R21 IonicContact OE2-CZ 3.87Å; E18-R21 IonicContact OE1-NH2 3.06Å; E18-R21 PolarHBondContact O-N 2.93Å; E18-R21 VanDerWaalsContact CD-NH2 3.31Å; E18-R21 PolarHBondContact OE1-NH2 3.08Å |
| 22 | L | 96.5 | Very high | 89.4 | Confident | 131 Ų | 131 | 108.1 Ų | 108.1 | 69% | 0.686 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.7 | -25.9 | 178.5 | -67.6 | 173.2 | 0 | 0 | 0 | 113.6 | E18 F20 | E18-L22 WeakPolarHBondContact O-CG 3.47Å; E18-L22 PolarHBondContact O-N 3.18Å; F20-L22 VanDerWaalsContact C-N 3.26Å; F20-L22 PolarHBondContact O-N 3.27Å |
| 23 | H | 93.4 | Very high | 89.5 | Confident | 97 Ų | 97 | 107.3 Ų | 107.3 | 45% | 0.449 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -121.2 | 8.9 | -170 | -59.6 | 86.6 | 0 | 0 | 0 | 114.5 | T19 F20 G25 V26 L27 | T19-H23 PolarHBondContact O-N 3.39Å; T19-H23 PolarHBondContact O-ND1 3.32Å; F20-H23 CarbonylContact O-C 3.57Å; F20-H23 PolarHBondContact O-N 2.92Å; F20-H23 VanDerWaalsContact O-N 3.08Å; H23-G25 PolarHBondContact O-N 3.1Å; H23-G25 VanDerWaalsContact O-N 3.1Å; H23-V26 PolarHBondContact O-N 3Å; H23-L27 PolarHBondContact O-N 3.22Å; H23-L27 VanDerWaalsContact O-N 3.1Å |
| 24 | V | 91.9 | Very high | 89.7 | Confident | 47 Ų | 47 | 106.5 Ų | 106.5 | 29% | 0.285 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -54.1 | -34.8 | -176.5 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | F20 V26 L27 Q28 | F20-V24 PolarHBondContact O-N 3.24Å; F20-V24 WeakPolarHBondContact O-CB 3.45Å; F20-V24 HydrophobicContact CZ-CG2 3.68Å; F20-V24 HydrophobicContact CE2-CG2 4.12Å; F20-V24 HydrophobicContact CE1-CG2 4.12Å; F20-V24 HydrophobicContact CE1-CB 4.47Å; F20-V24 HydrophobicContact CZ-CB 4.35Å; V24-V26 VanDerWaalsContact C-N 3.3Å; V24-V26 PolarHBondContact O-N 3Å; V24-L27 PolarHBondContact O-N 3.4Å; V24-Q28 HydrophobicContact CG2-CG 4.47Å; V24-Q28 WeakPolarHBondContact O-CG 3.39Å; V24-Q28 PolarHBondContact O-N 3.1Å |
| 25 | G | 91.1 | Very high | 89.6 | Confident | 44 Ų | 44 | 103.3 Ų | 103.3 | 45% | 0.454 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.3 | -27 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H23 | H23-G25 PolarHBondContact O-N 3.1Å; H23-G25 VanDerWaalsContact O-N 3.1Å |
| 26 | V | 87.9 | Confident | 89.3 | Confident | 103 Ų | 103 | 105.6 Ų | 105.6 | 62% | 0.624 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -80.8 | -43.6 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | H23 V24 Q28 K29 | H23-V26 PolarHBondContact O-N 3Å; V24-V26 VanDerWaalsContact C-N 3.3Å; V24-V26 PolarHBondContact O-N 3Å; V26-Q28 VanDerWaalsContact C-N 3.25Å; V26-Q28 PolarHBondContact O-N 3.19Å; V26-K29 PolarHBondContact O-N 3.31Å |
| 27 | L | 85 | Confident | 88.8 | Confident | 72 Ų | 72 | 108.4 Ų | 108.4 | 38% | 0.377 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.5 | -30.9 | 179.4 | -65.5 | 173.1 | 0 | 0 | 0 | 113.2 | L13 I15 F20 H23 V24 K29 | L13-L27 HydrophobicContact CD2-CD2 3.94Å; I15-L27 HydrophobicContact CD1-CD1 3.92Å; F20-L27 HydrophobicContact CD2-CD1 3.6Å; F20-L27 HydrophobicContact CE2-CD1 4.07Å; H23-L27 PolarHBondContact O-N 3.22Å; H23-L27 VanDerWaalsContact O-N 3.1Å; V24-L27 PolarHBondContact O-N 3.4Å; L27-K29 VanDerWaalsContact C-N 3.31Å |
| 28 | Q | 79.2 | Confident | 88.2 | Confident | 161 Ų | 161 | 104.8 Ų | 104.8 | 75% | 0.752 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -21.3 | 175 | -74.9 | -177.7 | 16.3 | 0 | 0 | 113.8 | V24 V26 G30 | V24-Q28 HydrophobicContact CG2-CG 4.47Å; V24-Q28 WeakPolarHBondContact O-CG 3.39Å; V24-Q28 PolarHBondContact O-N 3.1Å; V26-Q28 VanDerWaalsContact C-N 3.25Å; V26-Q28 PolarHBondContact O-N 3.19Å; Q28-G30 VanDerWaalsContact C-N 3.34Å |
| 29 | K | 76.3 | Confident | 87.5 | Confident | 189 Ų | 189 | 105.3 Ų | 105.3 | 82% | 0.822 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -13.1 | -177.3 | -75.1 | 179.6 | 173 | -179.6 | 0 | 113.5 | V26 L27 | V26-K29 PolarHBondContact O-N 3.31Å; L27-K29 VanDerWaalsContact C-N 3.31Å |
| 30 | G | 63.7 | Low | 86.8 | Confident | 133 Ų | 133 | 109.6 Ų | 109.6 | 100% | 1.371 | 61% | 0.613 | S | S | * | * | | | trans | 82.5 | 0 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q28 | Q28-G30 VanDerWaalsContact C-N 3.34Š|