| 1 | M | 73.4 | Confident | 93 | Very high | 210 Ų | 210 | 148.5 Ų | 148.5 | 100% | 1.034 | 76% | 0.758 | S | S | * | * | | | | 0 | 131.4 | 0 | -73.9 | -65.1 | -88.5 | 0 | 0 | 108.2 | K3 | M1-K3 HydrophobicContact CE-CD 4.37Å; M1-K3 VanDerWaalsContact C-N 3.33Å |
| 2 | A | 94.8 | Very high | 93.3 | Very high | 103 Ų | 103 | 146.9 Ų | 146.9 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | | | trans | -88.1 | 1.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R4 | A2-R4 PolarHBondContact O-N 3.46Š|
| 3 | K | 95.6 | Very high | 93.5 | Very high | 184 Ų | 184 | 150.9 Ų | 150.9 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | -67.4 | 129.4 | 175.1 | -67.7 | 179.8 | 179.7 | -80.7 | 0 | 108.9 | M1 | M1-K3 HydrophobicContact CE-CD 4.37Å; M1-K3 VanDerWaalsContact C-N 3.33Å |
| 4 | R | 95.4 | Very high | 93.6 | Very high | 226 Ų | 226 | 143.2 Ų | 143.2 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | | | trans | -112 | 150.8 | 175.5 | -61.3 | -168.8 | -67.4 | 133.4 | -3.1 | 109.8 | A2 | A2-R4 PolarHBondContact O-N 3.46Š|
| 5 | N | 96 | Very high | 93.7 | Very high | 160 Ų | 160 | 145.7 Ų | 145.7 | 86% | 0.856 | 71% | 0.712 | S | S | * | * | | | trans | -79.6 | 174.2 | 167.8 | -64.8 | -21.5 | 0 | 0 | 0 | 110 | | |
| 6 | A | 95 | Very high | 93.8 | Very high | 90 Ų | 90 | 143.6 Ų | 143.6 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | | | trans | -61.1 | 154.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 7 | E | 92.9 | Very high | 93.8 | Very high | 170 Ų | 170 | 142.9 Ų | 142.9 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -76.3 | -40 | -179.3 | -177 | 173.9 | 168.8 | 0 | 0 | 113 | | |
| 8 | K | 92.9 | Very high | 93.5 | Very high | 132 Ų | 132 | 145.9 Ų | 145.9 | 57% | 0.574 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -122.5 | 148.2 | 175.9 | -60.8 | 176.7 | -172.1 | 171.7 | 0 | 109.4 | L10 D19 | K8-L10 PolarHBondContact O-N 3.14Å; K8-D19 IonicContact NZ-OD1 2.7Å; K8-D19 PolarHBondContact NZ-OD1 2.76Å |
| 9 | E | 94.9 | Very high | 93.3 | Very high | 170 Ų | 170 | 144.5 Ų | 144.5 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | | | trans | -76.4 | 113.4 | 171.8 | -67.7 | -173.1 | 168.1 | 0 | 0 | 109.9 | N14 | E9-N14 PolarHBondContact O-ND2 3.5Š|
| 10 | L | 95.6 | Very high | 93 | Very high | 141 Ų | 141 | 146.6 Ų | 146.6 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | | | trans | -85 | 131.8 | 176.5 | -162.4 | 69.9 | 0 | 0 | 0 | 110 | K8 W15 | K8-L10 PolarHBondContact O-N 3.14Å; L10-W15 HydrophobicContact CD1-CB 4.05Å; L10-W15 HydrophobicContact CG-CB 4.26Å |
| 11 | T | 96.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 144 Ų | 144 | 29% | 0.294 | 72% | 0.719 | S | S | . | * | | | trans | -135.3 | 167.5 | -173.6 | 71.2 | 0 | 0 | 0 | 0 | 110.5 | R13 N14 W15 | T11-R13 PolarHBondContact O-N 3.17Å; T11-R13 VanDerWaalsContact O-N 3.09Å; T11-R13 PolarHBondContact OG1-N 3.2Å; T11-N14 PolarHBondContact OG1-N 2.93Å; T11-N14 PolarHBondContact OG1-OD1 3.21Å; T11-N14 PolarHBondContact O-OD1 3.31Å; T11-N14 PolarHBondContact N-OD1 3.42Å; T11-N14 WeakPolarHBondContact CB-OD1 3.33Å; T11-N14 WeakPolarHBondContact CA-OD1 3.44Å; T11-N14 PolarHBondContact O-N 3.32Å; T11-W15 WeakPolarHBondContact O-CB 3.44Å; T11-W15 PolarHBondContact O-N 2.99Å |
| 12 | D | 96.8 | Very high | 93.4 | Very high | 129 Ų | 129 | 142.4 Ų | 142.4 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -14.1 | 172 | 59.1 | -4.3 | 0 | 0 | 0 | 114.6 | | |
| 13 | R | 96.6 | Very high | 93.3 | Very high | 199 Ų | 199 | 146.3 Ų | 146.3 | 75% | 0.751 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -6.1 | -174.8 | -71.5 | 172.2 | -69 | 163.6 | 3.3 | 114.7 | T11 | T11-R13 PolarHBondContact O-N 3.17Å; T11-R13 VanDerWaalsContact O-N 3.09Å; T11-R13 PolarHBondContact OG1-N 3.2Å |
| 14 | N | 94.5 | Very high | 93.1 | Very high | 43 Ų | 43 | 144.9 Ų | 144.9 | 23% | 0.23 | 72% | 0.716 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -135.7 | 6.7 | -177.4 | 71 | -10.5 | 0 | 0 | 0 | 114.3 | E9 T11 D16 Q17 | E9-N14 PolarHBondContact O-ND2 3.5Å; T11-N14 PolarHBondContact OG1-N 2.93Å; T11-N14 PolarHBondContact OG1-OD1 3.21Å; T11-N14 PolarHBondContact O-OD1 3.31Å; T11-N14 PolarHBondContact N-OD1 3.42Å; T11-N14 WeakPolarHBondContact CB-OD1 3.33Å; T11-N14 WeakPolarHBondContact CA-OD1 3.44Å; T11-N14 PolarHBondContact O-N 3.32Å; N14-D16 VanDerWaalsContact C-N 3.26Å; N14-D16 PolarHBondContact O-N 3.14Å; N14-Q17 PolarHBondContact O-N 3.3Å; N14-Q17 HydrophobicContact CB-CG 4.36Å |
| 15 | W | 94.8 | Very high | 93 | Very high | 180 Ų | 180 | 137.2 Ų | 137.2 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -19.4 | -176.3 | 74.6 | -80.2 | 0 | 0 | 0 | 114.2 | L10 T11 | L10-W15 HydrophobicContact CD1-CB 4.05Å; L10-W15 HydrophobicContact CG-CB 4.26Å; T11-W15 WeakPolarHBondContact O-CB 3.44Å; T11-W15 PolarHBondContact O-N 2.99Å |
| 16 | D | 94.8 | Very high | 93 | Very high | 112 Ų | 112 | 135.9 Ų | 135.9 | 60% | 0.599 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 8.2 | -178.1 | 63 | -25 | 0 | 0 | 0 | 112.9 | N14 | N14-D16 VanDerWaalsContact C-N 3.26Å; N14-D16 PolarHBondContact O-N 3.14Å |
| 17 | Q | 93.8 | Very high | 92.9 | Very high | 133 Ų | 133 | 139.5 Ų | 139.5 | 62% | 0.621 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -79 | 133.4 | 176.3 | -63.8 | 179.3 | 8.6 | 0 | 0 | 110.3 | N14 | N14-Q17 PolarHBondContact O-N 3.3Å; N14-Q17 HydrophobicContact CB-CG 4.36Å |
| 18 | E | 89.3 | Confident | 93.1 | Very high | 196 Ų | 196 | 137 Ų | 137 | 92% | 0.916 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 126 | 172.4 | -65.7 | -179.1 | 179.2 | 0 | 0 | 109.6 | | |
| 19 | D | 88.8 | Confident | 93.2 | Very high | 120 Ų | 120 | 138 Ų | 138 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 135.3 | 166.8 | -76.7 | -50.1 | 0 | 0 | 0 | 109.2 | K8 A21 | K8-D19 IonicContact NZ-OD1 2.7Å; K8-D19 PolarHBondContact NZ-OD1 2.76Å; D19-A21 PolarHBondContact O-N 2.93Å |
| 20 | E | 88.3 | Confident | 93.3 | Very high | 185 Ų | 185 | 131.6 Ų | 131.6 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 128.1 | 171.2 | -172.2 | 171.6 | -164.5 | 0 | 0 | 109.1 | E22 | E20-E22 PolarHBondContact O-N 3.43Å; E20-E22 VanDerWaalsContact O-N 3.08Å |
| 21 | A | 87.2 | Confident | 93.4 | Very high | 93 Ų | 93 | 128.1 Ų | 128.1 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | | | trans | -65.1 | 113.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | D19 E23 | D19-A21 PolarHBondContact O-N 2.93Å; A21-E23 PolarHBondContact O-N 3.35Å |
| 22 | E | 88.3 | Confident | 93.4 | Very high | 176 Ų | 176 | 132.2 Ų | 132.2 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | | | trans | -68.5 | 132.8 | 178.5 | -66.1 | -173.4 | 178 | 0 | 0 | 111.5 | E20 | E20-E22 PolarHBondContact O-N 3.43Å; E20-E22 VanDerWaalsContact O-N 3.08Å |
| 23 | E | 91.4 | Very high | 93.4 | Very high | 185 Ų | 185 | 133 Ų | 133 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | | | trans | -79.3 | 142.9 | 170.9 | -64.2 | -173 | 175.1 | 0 | 0 | 111.1 | A21 G25 | A21-E23 PolarHBondContact O-N 3.35Å; E23-G25 PolarHBondContact O-N 3.35Å |
| 24 | V | 92.4 | Very high | 93.4 | Very high | 154 Ų | 154 | 127 Ų | 127 | 93% | 0.933 | 68% | 0.678 | S | S | * | * | | | trans | -68.3 | 101.8 | 171.1 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 25 | G | 91.9 | Very high | 93.5 | Very high | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 68% | 0.683 | S | S | * | * | | | trans | -79.6 | 178.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E23 | E23-G25 PolarHBondContact O-N 3.35Š|
| 26 | T | 95.7 | Very high | 93.6 | Very high | 133 Ų | 133 | 126.3 Ų | 126.3 | 82% | 0.816 | 68% | 0.681 | S | S | * | * | | | trans | -104.5 | 140.7 | 169.2 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 27 | F | 94.3 | Very high | 93.7 | Very high | 166 Ų | 166 | 127.7 Ų | 127.7 | 73% | 0.728 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 145.4 | 176.3 | 69.1 | -89.2 | 0 | 0 | 0 | 111.1 | M29 | F27-M29 HydrophobicContact CE2-CG 4.15Å; F27-M29 PolarHBondContact O-N 3.5Å |
| 28 | S | 95.8 | Very high | 93.9 | Very high | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.7 | 175.1 | -50 | 0 | 0 | 0 | 0 | 110.7 | | |
| 29 | M | 96.5 | Very high | 94.2 | Very high | 152 Ų | 152 | 123.7 Ų | 123.7 | 75% | 0.749 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 142.2 | 172 | -66.3 | -174.3 | 67.6 | 0 | 0 | 110.3 | F27 | F27-M29 HydrophobicContact CE2-CG 4.15Å; F27-M29 PolarHBondContact O-N 3.5Å |
| 30 | A | 96.4 | Very high | 94.6 | Very high | 35 Ų | 35 | 124.1 Ų | 124.1 | 29% | 0.289 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -64 | 149.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V34 L35 | A30-V34 HydrophobicContact CB-CG1 4.01Å; A30-V34 HydrophobicContact CB-CB 4.23Å; A30-L35 HydrophobicContact CB-CD2 4.1Å; A30-L35 WeakPolarHBondContact O-CD1 3.46Å; A30-L35 HydrophobicContact CB-CG 4.19Å |
| 31 | S | 97.6 | Very high | 95 | Very high | 68 Ų | 68 | 124.6 Ų | 124.6 | 48% | 0.476 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -64 | 160.4 | 177 | 66.6 | 0 | 0 | 0 | 0 | 112 | E33 V34 L35 | S31-E33 VanDerWaalsContact C-N 3.28Å; S31-E33 PolarHBondContact O-N 3.08Å; S31-V34 PolarHBondContact O-N 3.09Å; S31-V34 VanDerWaalsContact O-N 3.14Å; S31-V34 WeakPolarHBondContact OG-CG2 3.41Å; S31-L35 WeakPolarHBondContact O-CG 2.85Å; S31-L35 PolarHBondContact O-N 3.18Å |
| 32 | E | 96.4 | Very high | 95.4 | Very high | 134 Ų | 134 | 128.8 Ų | 128.8 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -59.3 | -39.1 | -177.9 | -157.2 | -164.3 | 140.6 | 0 | 0 | 112.6 | V34 L35 K36 | E32-V34 VanDerWaalsContact C-N 3.33Å; E32-V34 PolarHBondContact O-N 3.33Å; E32-L35 PolarHBondContact O-N 2.7Å; E32-K36 PolarHBondContact OE1-NZ 3.39Å; E32-K36 IonicContact OE1-NZ 2.76Å; E32-K36 WeakPolarHBondContact OE1-CE 3.38Å; E32-K36 PolarHBondContact O-N 2.69Å; E32-K36 WeakPolarHBondContact O-CG 3.49Å |
| 33 | E | 96.4 | Very high | 95.8 | Very high | 146 Ų | 146 | 123.7 Ų | 123.7 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -60.2 | -42 | 177.2 | -175.6 | -179.4 | -178.7 | 0 | 0 | 112.2 | S31 N37 | S31-E33 VanDerWaalsContact C-N 3.28Å; S31-E33 PolarHBondContact O-N 3.08Å; E33-N37 PolarHBondContact O-ND2 3.27Å |
| 34 | V | 97.5 | Very high | 96 | Very high | 73 Ų | 73 | 124.7 Ų | 124.7 | 44% | 0.442 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -68.7 | -41.2 | 176.4 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | A30 S31 E32 K36 N37 R38 | A30-V34 HydrophobicContact CB-CG1 4.01Å; A30-V34 HydrophobicContact CB-CB 4.23Å; S31-V34 PolarHBondContact O-N 3.09Å; S31-V34 VanDerWaalsContact O-N 3.14Å; S31-V34 WeakPolarHBondContact OG-CG2 3.41Å; E32-V34 VanDerWaalsContact C-N 3.33Å; E32-V34 PolarHBondContact O-N 3.33Å; V34-K36 PolarHBondContact O-N 2.95Å; V34-N37 PolarHBondContact O-N 3.4Å; V34-R38 WeakPolarHBondContact O-CB 3.49Å; V34-R38 PolarHBondContact O-N 3.34Å |
| 35 | L | 96.9 | Very high | 96 | Very high | 62 Ų | 62 | 130.2 Ų | 130.2 | 33% | 0.325 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -66.3 | -36.1 | -179 | -69.8 | 175.5 | 0 | 0 | 0 | 112.8 | A30 S31 E32 N37 R38 I40 | A30-L35 HydrophobicContact CB-CD2 4.1Å; A30-L35 WeakPolarHBondContact O-CD1 3.46Å; A30-L35 HydrophobicContact CB-CG 4.19Å; S31-L35 WeakPolarHBondContact O-CG 2.85Å; S31-L35 PolarHBondContact O-N 3.18Å; E32-L35 PolarHBondContact O-N 2.7Å; L35-N37 VanDerWaalsContact C-N 3.26Å; L35-N37 PolarHBondContact O-N 2.78Å; L35-R38 PolarHBondContact O-N 3.45Å; L35-R38 VanDerWaalsContact O-N 3.17Å; L35-I40 HydrophobicContact CD2-CD1 4.15Å |
| 36 | K | 96.4 | Very high | 96.2 | Very high | 146 Ų | 146 | 133.5 Ų | 133.5 | 64% | 0.635 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -57.6 | -38.2 | 177.7 | -76.3 | 172.7 | -168.2 | 178.4 | 0 | 113 | E32 V34 | E32-K36 PolarHBondContact OE1-NZ 3.39Å; E32-K36 IonicContact OE1-NZ 2.76Å; E32-K36 WeakPolarHBondContact OE1-CE 3.38Å; E32-K36 PolarHBondContact O-N 2.69Å; E32-K36 WeakPolarHBondContact O-CG 3.49Å; V34-K36 PolarHBondContact O-N 2.95Å |
| 37 | N | 97 | Very high | 96.2 | Very high | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -5.3 | -177.4 | -63.9 | -51.8 | 0 | 0 | 0 | 113.1 | E33 V34 L35 | E33-N37 PolarHBondContact O-ND2 3.27Å; V34-N37 PolarHBondContact O-N 3.4Å; L35-N37 VanDerWaalsContact C-N 3.26Å; L35-N37 PolarHBondContact O-N 2.78Å |
| 38 | R | 96.7 | Very high | 96.3 | Very high | 150 Ų | 150 | 131.7 Ų | 131.7 | 57% | 0.566 | 66% | 0.663 | S | S | * | * | | | trans | -88.3 | 125.1 | -172.4 | -161 | 174.4 | -146.5 | 167.1 | 6.5 | 111.6 | V34 L35 I40 | V34-R38 WeakPolarHBondContact O-CB 3.49Å; V34-R38 PolarHBondContact O-N 3.34Å; L35-R38 PolarHBondContact O-N 3.45Å; L35-R38 VanDerWaalsContact O-N 3.17Å; R38-I40 HydrophobicContact CB-CG1 4.31Å; R38-I40 HydrophobicContact CG-CG1 4.12Å; R38-I40 PolarHBondContact O-N 3.39Å; R38-I40 VanDerWaalsContact O-N 3.14Å |
| 39 | A | 97 | Very high | 96.4 | Very high | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | | | trans | -76.2 | 99.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 40 | I | 96.1 | Very high | 96.4 | Very high | 128 Ų | 128 | 131.3 Ų | 131.3 | 66% | 0.656 | 65% | 0.648 | S | S | * | * | | | trans | -100.6 | 114.3 | 178.2 | -56.5 | 173.7 | 0 | 0 | 0 | 109.4 | L35 R38 | L35-I40 HydrophobicContact CD2-CD1 4.15Å; R38-I40 HydrophobicContact CB-CG1 4.31Å; R38-I40 HydrophobicContact CG-CG1 4.12Å; R38-I40 PolarHBondContact O-N 3.39Å; R38-I40 VanDerWaalsContact O-N 3.14Å |
| 41 | K | 96.9 | Very high | 96.4 | Very high | 196 Ų | 196 | 137.7 Ų | 137.7 | 85% | 0.852 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 135.4 | 179.8 | -63.2 | -177.3 | -177.5 | 178.4 | 0 | 110.9 | | |
| 42 | K | 96.5 | Very high | 96.3 | Very high | 181 Ų | 181 | 142.7 Ų | 142.7 | 79% | 0.787 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134.4 | 173.8 | -170.4 | -179.3 | 179.1 | 178.6 | 0 | 110.1 | | |
| 43 | A | 96.8 | Very high | 96.3 | Very high | 69 Ų | 69 | 143.4 Ų | 143.4 | 57% | 0.57 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 145.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 44 | K | 94.8 | Very high | 96.2 | Very high | 205 Ų | 205 | 143.2 Ų | 143.2 | 89% | 0.891 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -62 | 140.1 | 167.9 | -172.7 | 176.5 | 177 | -176.7 | 0 | 108.8 | | |
| 45 | R | 92.3 | Very high | 96.1 | Very high | 271 Ų | 271 | 149.5 Ų | 149.5 | 100% | 1.023 | 71% | 0.714 | S | S | * | * | | | trans | -91.8 | 0 | 173.9 | -65.6 | -62.9 | -167.5 | -152.2 | 1.4 | 109.8 | | |