| 1 | M | 82.2 | Confident | 69.9 | Low | 238 Ų | 238 | 180.8 Ų | 180.8 | 100% | 1.172 | 84% | 0.837 | S | S | * | * | | | | 0 | 119.9 | 0 | -64.7 | 178.8 | -71.6 | 0 | 0 | 108.4 | | |
| 2 | L | 81.8 | Confident | 68.3 | Low | 164 Ų | 164 | 175.4 Ų | 175.4 | 86% | 0.859 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 129.8 | -172.8 | -170.4 | 61.8 | 0 | 0 | 0 | 110.6 | | |
| 3 | R | 77.3 | Confident | 66.8 | Low | 225 Ų | 225 | 171.8 Ų | 171.8 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 136.7 | 172.9 | -68 | -171.8 | -66 | -88.2 | 1.2 | 109 | F5 | R3-F5 PolarHBondContact O-N 3.06Š|
| 4 | R | 78.6 | Confident | 65.3 | Low | 236 Ų | 236 | 167.7 Ų | 167.7 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118.1 | 179.5 | -59.1 | -62 | 170.8 | 178.1 | -3.4 | 109.2 | K6 | R4-K6 PolarHBondContact O-N 3.29Š|
| 5 | F | 74.9 | Confident | 64.6 | Low | 194 Ų | 194 | 156.8 Ų | 156.8 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | | | trans | -66.8 | 115.8 | 168.3 | 180 | -103.9 | 0 | 0 | 0 | 107.7 | R3 Q7 | R3-F5 PolarHBondContact O-N 3.06Å; F5-Q7 VanDerWaalsContact O-N 3.16Å; F5-Q7 PolarHBondContact O-N 2.85Å |
| 6 | K | 71.1 | Confident | 63.6 | Low | 187 Ų | 187 | 155.9 Ų | 155.9 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | -73.9 | 107.3 | 173.4 | -139.4 | -177.1 | -171.3 | -80.1 | 0 | 105.8 | R4 K8 | R4-K6 PolarHBondContact O-N 3.29Å; K6-K8 PolarHBondContact O-N 3.15Å |
| 7 | Q | 65.8 | Low | 63.2 | Low | 161 Ų | 161 | 153.1 Ų | 153.1 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | | | trans | -55.3 | 107.9 | 167 | -174.2 | 177.4 | -0.5 | 0 | 0 | 106.1 | F5 A9 | F5-Q7 VanDerWaalsContact O-N 3.16Å; F5-Q7 PolarHBondContact O-N 2.85Å; Q7-A9 VanDerWaalsContact C-N 3.32Å; Q7-A9 PolarHBondContact O-N 2.83Å |
| 8 | K | 61.7 | Low | 63 | Low | 191 Ų | 191 | 146.7 Ų | 146.7 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | | | trans | -63.3 | 111.2 | 157.1 | -71.9 | 179.1 | 179.8 | 178.5 | 0 | 102.2 | K6 H10 | K6-K8 PolarHBondContact O-N 3.15Å; K8-H10 PolarHBondContact O-N 3.04Å; K8-H10 VanDerWaalsContact O-N 3.15Å |
| 9 | A | 62.2 | Low | 62.3 | Low | 75 Ų | 75 | 142.7 Ų | 142.7 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | | | trans | -39.6 | 130.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 104.5 | Q7 L11 | Q7-A9 VanDerWaalsContact C-N 3.32Å; Q7-A9 PolarHBondContact O-N 2.83Å; A9-L11 PolarHBondContact O-N 3.1Å |
| 10 | H | 55.9 | Low | 62.5 | Low | 156 Ų | 156 | 140.3 Ų | 140.3 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | | | trans | -35.3 | 128.3 | 164.5 | -100.1 | -123 | 0 | 0 | 0 | 104.8 | K8 T12 | K8-H10 PolarHBondContact O-N 3.04Å; K8-H10 VanDerWaalsContact O-N 3.15Å; H10-T12 PolarHBondContact O-N 2.86Å |
| 11 | L | 57.7 | Low | 62.4 | Low | 162 Ų | 162 | 137.9 Ų | 137.9 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | | | trans | -54.8 | 85.9 | 141.5 | -95.1 | 89.1 | 0 | 0 | 0 | 102 | A9 Y13 | A9-L11 PolarHBondContact O-N 3.1Å; L11-Y13 PolarHBondContact O-N 3.4Å |
| 12 | T | 50.1 | Low | 61 | Low | 116 Ų | 116 | 134.7 Ų | 134.7 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | | | trans | -45.9 | 104.6 | 140.5 | 27.4 | 0 | 0 | 0 | 0 | 99.1 | H10 N14 | H10-T12 PolarHBondContact O-N 2.86Å; T12-N14 PolarHBondContact O-N 2.99Å |
| 13 | Y | 49.6 | Very low | 59.7 | Low | 129 Ų | 129 | 132.3 Ų | 132.3 | 51% | 0.506 | 67% | 0.674 | S | S | . | * | | | trans | -50.3 | 89.1 | 176 | 169.1 | -105.7 | 0 | 0 | 0 | 104.2 | L11 G15 N19 | L11-Y13 PolarHBondContact O-N 3.4Å; Y13-G15 PolarHBondContact O-N 3.16Å; Y13-N19 PolarHBondContact OH-ND2 3.21Å; Y13-N19 WeakPolarHBondContact OH-CB 3.08Å; Y13-N19 WeakPolarHBondContact CE2-OD1 3.02Å; Y13-N19 WeakPolarHBondContact CE2-ND2 2.93Å; Y13-N19 WeakPolarHBondContact CD2-OD1 3.18Å; Y13-N19 HydrophobicContact CE2-CB 4.14Å; Y13-N19 WeakPolarHBondContact CE1-OD1 3.17Å; Y13-N19 WeakPolarHBondContact CE1-O 2.94Å; Y13-N19 HydrophobicContact CE1-CB 3.29Å; Y13-N19 VanDerWaalsContact CD2-OD1 3.24Å; Y13-N19 WeakPolarHBondContact CD1-OD1 3.33Å; Y13-N19 WeakPolarHBondContact CD1-O 3.11Å; Y13-N19 HydrophobicContact CD1-CB 4.24Å |
| 14 | N | 46.1 | Very low | 58.9 | Low | 114 Ų | 114 | 124.7 Ų | 124.7 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | | | trans | -79.5 | 74.1 | 175.3 | 174.5 | 28.6 | 0 | 0 | 0 | 102.5 | T12 N16 S17 | T12-N14 PolarHBondContact O-N 2.99Å; N14-N16 PolarHBondContact O-N 2.62Å; N14-N16 PolarHBondContact OD1-N 3.26Å; N14-N16 VanDerWaalsContact OD1-N 3.12Å; N14-S17 PolarHBondContact O-N 2.89Å; N14-S17 PolarHBondContact O-OG 3.15Å; N14-S17 VanDerWaalsContact O-OG 3.07Å |
| 15 | G | 53.5 | Low | 57.7 | Low | 4 Ų | 4 | 121.7 Ų | 121.7 | 4% | 0.041 | 66% | 0.662 | C | S | . | * | B | Isolated β-bridge | trans | -89.9 | 68.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y13 G18 N19 S20 | Y13-G15 PolarHBondContact O-N 3.16Å; G15-G18 WeakPolarHBondContact CA-O 2.91Å; G15-G18 CarbonylContact O-C 3.33Å; G15-N19 WeakPolarHBondContact O-CA 3.06Å; G15-N19 VanDerWaalsContact O-O 3.05Å; G15-N19 PolarHBondContact O-N 3Å; G15-N19 CarbonylContact O-C 2.64Å; G15-N19 PolarHBondContact N-OD1 2.87Å; G15-N19 VanDerWaalsContact N-O 3.09Å; G15-N19 PolarHBondContact N-O 3.07Å; G15-N19 WeakPolarHBondContact CA-OD1 2.9Å; G15-N19 WeakPolarHBondContact CA-O 3.24Å; G15-N19 CarbonylContact C-O 3.21Å; G15-S20 PolarHBondContact O-N 2.86Å |
| 16 | N | 50 | Low | 56.9 | Low | 143 Ų | 143 | 117.9 Ų | 117.9 | 77% | 0.765 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | | -130.2 | 41.4 | 115 | -125.4 | 36.7 | 0 | 0 | 0 | 114.6 | N14 G18 | N14-N16 PolarHBondContact O-N 2.62Å; N14-N16 PolarHBondContact OD1-N 3.26Å; N14-N16 VanDerWaalsContact OD1-N 3.12Å; N16-G18 WeakPolarHBondContact OD1-CA 3.19Å |
| 17 | S | 56.6 | Low | 56.2 | Low | 108 Ų | 108 | 114.9 Ų | 114.9 | 76% | 0.755 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | | -83.6 | 44.4 | 119.4 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | N14 | N14-S17 PolarHBondContact O-N 2.89Å; N14-S17 PolarHBondContact O-OG 3.15Å; N14-S17 VanDerWaalsContact O-OG 3.07Å |
| 18 | G | 58.4 | Low | 56 | Low | 38 Ų | 38 | 112.1 Ų | 112.1 | 39% | 0.392 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 75.6 | 120.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G15 N16 | G15-G18 WeakPolarHBondContact CA-O 2.91Å; G15-G18 CarbonylContact O-C 3.33Å; N16-G18 WeakPolarHBondContact OD1-CA 3.19Å |
| 19 | N | 50.3 | Low | 56 | Low | 70 Ų | 70 | 109.9 Ų | 109.9 | 37% | 0.374 | 65% | 0.645 | S | S | . | * | B | Isolated β-bridge | trans | 107.3 | 83.7 | 175 | 62.6 | 42.5 | 0 | 0 | 0 | 124.5 | Y13 G15 | Y13-N19 PolarHBondContact OH-ND2 3.21Å; Y13-N19 WeakPolarHBondContact OH-CB 3.08Å; Y13-N19 WeakPolarHBondContact CE2-OD1 3.02Å; Y13-N19 WeakPolarHBondContact CE2-ND2 2.93Å; Y13-N19 WeakPolarHBondContact CD2-OD1 3.18Å; Y13-N19 HydrophobicContact CE2-CB 4.14Å; Y13-N19 WeakPolarHBondContact CE1-OD1 3.17Å; Y13-N19 WeakPolarHBondContact CE1-O 2.94Å; Y13-N19 HydrophobicContact CE1-CB 3.29Å; Y13-N19 VanDerWaalsContact CD2-OD1 3.24Å; Y13-N19 WeakPolarHBondContact CD1-OD1 3.33Å; Y13-N19 WeakPolarHBondContact CD1-O 3.11Å; Y13-N19 HydrophobicContact CD1-CB 4.24Å; G15-N19 WeakPolarHBondContact O-CA 3.06Å; G15-N19 VanDerWaalsContact O-O 3.05Å; G15-N19 PolarHBondContact O-N 3Å; G15-N19 CarbonylContact O-C 2.64Å; G15-N19 PolarHBondContact N-OD1 2.87Å; G15-N19 VanDerWaalsContact N-O 3.09Å; G15-N19 PolarHBondContact N-O 3.07Å; G15-N19 WeakPolarHBondContact CA-OD1 2.9Å; G15-N19 WeakPolarHBondContact CA-O 3.24Å; G15-N19 CarbonylContact C-O 3.21Å |
| 20 | S | 66.6 | Low | 56.4 | Low | 95 Ų | 95 | 114 Ų | 114 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | | | trans | -23.7 | 134.4 | 165.9 | 166.2 | 0 | 0 | 0 | 0 | 116.7 | G15 | G15-S20 PolarHBondContact O-N 2.86Š|
| 21 | S | 59.3 | Low | 56.8 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 62% | 0.622 | 65% | 0.652 | S | S | * | * | | | trans | -162.4 | 102.7 | 155 | -76 | 0 | 0 | 0 | 0 | 111.3 | | |
| 22 | E | 54.1 | Low | 57.2 | Low | 171 Ų | 171 | 108.7 Ų | 108.7 | 80% | 0.799 | 64% | 0.644 | S | S | * | * | | | trans | -58.6 | 174.4 | 161.6 | -125.6 | 106.5 | 177.6 | 0 | 0 | 111.8 | | |
| 23 | P | 54.6 | Low | 57.9 | Low | 115 Ų | 115 | 110.5 Ų | 110.5 | 75% | 0.747 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -69.8 | 142.9 | -140.9 | 34.2 | -37.3 | 0 | 0 | 0 | 113.2 | E25 | P23-E25 PolarHBondContact O-N 2.58Š|
| 24 | G | 59.1 | Low | 58.6 | Low | 64 Ų | 64 | 113.6 Ų | 113.6 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | | | trans | -47.6 | 132.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | T26 | G24-T26 PolarHBondContact O-N 3.12Š|
| 25 | E | 54.9 | Low | 59.1 | Low | 174 Ų | 174 | 114 Ų | 114 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | | | trans | -46.6 | 110.8 | 171.8 | 47 | -87.5 | -174.2 | 0 | 0 | 110.6 | P23 | P23-E25 PolarHBondContact O-N 2.58Š|
| 26 | T | 57.9 | Low | 59.1 | Low | 113 Ų | 113 | 123.3 Ų | 123.3 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | | | trans | -57.8 | 128.8 | 163.2 | 47.8 | 0 | 0 | 0 | 0 | 106.8 | G24 T28 | G24-T26 PolarHBondContact O-N 3.12Å; T26-T28 PolarHBondContact O-N 3.09Å |
| 27 | P | 56.7 | Low | 59.5 | Low | 125 Ų | 125 | 122.3 Ų | 122.3 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | | | trans | -60.6 | 107.6 | 175.6 | 24.3 | -31.7 | 0 | 0 | 0 | 107.9 | L29 | P27-L29 PolarHBondContact O-N 2.94Š|
| 28 | T | 60.3 | Low | 59.7 | Low | 103 Ų | 103 | 123.1 Ų | 123.1 | 63% | 0.632 | 74% | 0.737 | S | S | * | * | | | trans | -63.8 | 109.7 | 175.7 | -56.1 | 0 | 0 | 0 | 0 | 107.6 | T26 E30 | T26-T28 PolarHBondContact O-N 3.09Å; T28-E30 VanDerWaalsContact C-N 3.33Å; T28-E30 HydrophobicContact CG2-CG 4.39Å; T28-E30 WeakPolarHBondContact CG2-OE1 3.33Å; T28-E30 PolarHBondContact O-N 3.22Å; T28-E30 VanDerWaalsContact O-N 3.1Å |
| 29 | L | 62.2 | Low | 59.8 | Low | 144 Ų | 144 | 127.8 Ų | 127.8 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | -76.8 | 91.3 | 169.6 | -170.6 | 85.5 | 0 | 0 | 0 | 106.3 | P27 L31 | P27-L29 PolarHBondContact O-N 2.94Å; L29-L31 VanDerWaalsContact C-N 3.28Å; L29-L31 HydrophobicContact CD2-CD1 3.56Å; L29-L31 HydrophobicContact CG-CD1 4.17Å; L29-L31 PolarHBondContact O-N 2.88Å |
| 30 | E | 71.3 | Confident | 60.3 | Low | 161 Ų | 161 | 131.2 Ų | 131.2 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -62.6 | 91.3 | 172.2 | -60.5 | -67.8 | 152.8 | 0 | 0 | 108.3 | T28 G32 | T28-E30 VanDerWaalsContact C-N 3.33Å; T28-E30 HydrophobicContact CG2-CG 4.39Å; T28-E30 WeakPolarHBondContact CG2-OE1 3.33Å; T28-E30 PolarHBondContact O-N 3.22Å; T28-E30 VanDerWaalsContact O-N 3.1Å; E30-G32 VanDerWaalsContact C-N 3.34Å; E30-G32 PolarHBondContact O-N 2.72Å; E30-G32 VanDerWaalsContact O-N 3.15Å |
| 31 | L | 64.6 | Low | 59.9 | Low | 140 Ų | 140 | 133.4 Ų | 133.4 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -78.3 | 90.8 | 167.4 | -130.2 | 81.1 | 0 | 0 | 0 | 105.9 | L29 D33 | L29-L31 VanDerWaalsContact C-N 3.28Å; L29-L31 HydrophobicContact CD2-CD1 3.56Å; L29-L31 HydrophobicContact CG-CD1 4.17Å; L29-L31 PolarHBondContact O-N 2.88Å; L31-D33 PolarHBondContact O-N 3.32Å |
| 32 | G | 65.5 | Low | 60 | Low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | trans | -55 | 128.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | E30 Q34 | E30-G32 VanDerWaalsContact C-N 3.34Å; E30-G32 PolarHBondContact O-N 2.72Å; E30-G32 VanDerWaalsContact O-N 3.15Å; G32-Q34 VanDerWaalsContact C-N 3.32Å; G32-Q34 PolarHBondContact O-N 3.07Å |
| 33 | D | 65.4 | Low | 60.4 | Low | 154 Ų | 154 | 133.9 Ų | 133.9 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | -64.5 | 90.7 | 174.7 | -73.8 | -34.8 | 0 | 0 | 0 | 109.8 | L31 T35 | L31-D33 PolarHBondContact O-N 3.32Å; D33-T35 PolarHBondContact O-N 3.23Å |
| 34 | Q | 64.3 | Low | 60.8 | Low | 195 Ų | 195 | 135.4 Ų | 135.4 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -72.1 | 88.3 | 154.9 | -91.7 | 179.2 | 50.6 | 0 | 0 | 107.5 | G32 | G32-Q34 VanDerWaalsContact C-N 3.32Å; G32-Q34 PolarHBondContact O-N 3.07Å |
| 35 | T | 55.1 | Low | 61 | Low | 121 Ų | 121 | 141.3 Ų | 141.3 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | -115.5 | 105.4 | 160.1 | 35.9 | 0 | 0 | 0 | 0 | 109.8 | D33 | D33-T35 PolarHBondContact O-N 3.23Š|
| 36 | S | 53.5 | Low | 61.5 | Low | 200 Ų | 200 | 138.4 Ų | 138.4 | 100% | 1.399 | 81% | 0.812 | S | S | * | * | | | trans | 44.8 | 0 | 160.1 | -64.8 | 0 | 0 | 0 | 0 | 120.1 | | |