| 1 | M | 48.3 | Very low | 66.1 | Low | 224 Ų | 224 | 138 Ų | 138 | 100% | 1.103 | 75% | 0.748 | S | S | * | * | | | | 0 | 97.4 | 0 | -79.8 | -62.1 | 166.2 | 0 | 0 | 107.4 | M4 | M1-M4 HydrophobicContact SD-SD 4.25Š|
| 2 | G | 71 | Confident | 66.1 | Low | 56 Ų | 56 | 136.3 Ų | 136.3 | 58% | 0.577 | 77% | 0.766 | S | S | * | * | | | trans | -73.2 | 179.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M4 | G2-M4 PolarHBondContact O-N 3.18Š|
| 3 | P | 64.9 | Low | 66.5 | Low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | trans | -69.3 | 79.4 | -175.6 | 30.7 | -34.4 | 0 | 0 | 0 | 110.4 | G5 | P3-G5 PolarHBondContact O-N 3.43Š|
| 4 | M | 52.7 | Low | 67.4 | Low | 174 Ų | 174 | 127.5 Ų | 127.5 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 60.7 | 161.4 | -83.1 | 158.3 | 47.4 | 0 | 0 | 108.3 | M1 G2 | M1-M4 HydrophobicContact SD-SD 4.25Å; G2-M4 PolarHBondContact O-N 3.18Å |
| 5 | G | 64.3 | Low | 68.7 | Low | 54 Ų | 54 | 126.1 Ų | 126.1 | 56% | 0.557 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.2 | -9.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P3 M7 | P3-G5 PolarHBondContact O-N 3.43Å; G5-M7 PolarHBondContact O-N 3.35Å |
| 6 | W | 68.2 | Low | 70 | Confident | 240 Ų | 240 | 129.1 Ų | 129.1 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | | | trans | -85.1 | 77.6 | 175.7 | -64.3 | 15.9 | 0 | 0 | 0 | 107 | K8 | W6-K8 PolarHBondContact O-N 3.38Š|
| 7 | M | 69.8 | Low | 71.2 | Confident | 175 Ų | 175 | 133.2 Ų | 133.2 | 86% | 0.862 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -46 | 128.4 | 174.7 | -68.9 | 177.8 | 65.9 | 0 | 0 | 108.6 | G5 C9 | G5-M7 PolarHBondContact O-N 3.35Å; M7-C9 PolarHBondContact O-N 3.27Å |
| 8 | K | 75.4 | Confident | 72.1 | Confident | 179 Ų | 179 | 133 Ų | 133 | 78% | 0.778 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 124.8 | 178.3 | -176.8 | 176.7 | 179 | 178.4 | 0 | 109 | W6 | W6-K8 PolarHBondContact O-N 3.38Š|
| 9 | C | 69.5 | Low | 72.8 | Confident | 105 Ų | 105 | 129.3 Ų | 129.3 | 71% | 0.709 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 139.4 | 173.7 | -62.8 | 0 | 0 | 0 | 0 | 109.6 | M7 L11 | M7-C9 PolarHBondContact O-N 3.27Å; C9-L11 PolarHBondContact O-N 3.27Å |
| 10 | P | 70.4 | Confident | 73.6 | Confident | 81 Ų | 81 | 127 Ų | 127 | 53% | 0.526 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -51.8 | 139 | 176.8 | 19.4 | -29.7 | 0 | 0 | 0 | 109.9 | T14 L19 | P10-T14 HydrophobicContact CB-CG2 4.35Å; P10-L19 HydrophobicContact CG-CD1 3.61Å |
| 11 | L | 72.9 | Confident | 74.3 | Confident | 114 Ų | 114 | 125 Ų | 125 | 60% | 0.597 | 67% | 0.67 | S | S | * | * | | | trans | -44.3 | 141.6 | -169.2 | -142.5 | 75.1 | 0 | 0 | 0 | 111.9 | C9 S13 T14 | C9-L11 PolarHBondContact O-N 3.27Å; L11-S13 PolarHBondContact O-N 3.35Å; L11-T14 PolarHBondContact O-N 3.14Å; L11-T14 VanDerWaalsContact O-N 3.13Å |
| 12 | A | 65.1 | Low | 76.1 | Confident | 117 Ų | 117 | 116.8 Ų | 116.8 | 97% | 0.967 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 9.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 13 | S | 71.3 | Confident | 76.8 | Confident | 100 Ų | 100 | 118.3 Ų | 118.3 | 70% | 0.699 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 11.4 | 179.9 | 63 | 0 | 0 | 0 | 0 | 114.2 | L11 | L11-S13 PolarHBondContact O-N 3.35Š|
| 14 | T | 79.6 | Confident | 77.8 | Confident | 50 Ų | 50 | 120.1 Ų | 120.1 | 31% | 0.307 | 62% | 0.622 | S | S | . | * | | | trans | -68.9 | 139.8 | 177.3 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | P10 L11 K16 | P10-T14 HydrophobicContact CB-CG2 4.35Å; L11-T14 PolarHBondContact O-N 3.14Å; L11-T14 VanDerWaalsContact O-N 3.13Å; T14-K16 PolarHBondContact O-N 3.02Å |
| 15 | N | 87.4 | Confident | 79.3 | Confident | 106 Ų | 106 | 118 Ų | 118 | 57% | 0.567 | 61% | 0.614 | S | S | * | * | | | trans | -61.1 | 133.8 | 179.8 | -177.7 | -56.7 | 0 | 0 | 0 | 110.7 | R17 F18 L19 | N15-R17 PolarHBondContact O-N 2.96Å; N15-R17 PolarHBondContact OD1-N 3.27Å; N15-R17 WeakPolarHBondContact OD1-CB 3.18Å; N15-R17 VanDerWaalsContact O-N 3.13Å; N15-F18 HydrophobicContact CB-CB 4.02Å; N15-F18 WeakPolarHBondContact O-CA 3.28Å; N15-F18 VanDerWaalsContact O-CB 3.31Å; N15-F18 WeakPolarHBondContact O-CB 3.4Å; N15-F18 PolarHBondContact O-N 3.15Å; N15-L19 PolarHBondContact O-N 2.7Å |
| 16 | K | 88.7 | Confident | 80.1 | Confident | 175 Ų | 175 | 120 Ų | 120 | 76% | 0.761 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -51.1 | -40.4 | -179.9 | -69 | -165.9 | 176.4 | -163.7 | 0 | 113.5 | T14 I20 | T14-K16 PolarHBondContact O-N 3.02Å; K16-I20 WeakPolarHBondContact O-CD1 3.49Å; K16-I20 VanDerWaalsContact O-N 3.07Å; K16-I20 PolarHBondContact O-N 3.21Å; K16-I20 VanDerWaalsContact O-CG1 3.23Å; K16-I20 WeakPolarHBondContact O-CG1 3.45Å |
| 17 | R | 90.3 | Very high | 80.4 | Confident | 198 Ų | 198 | 113.3 Ų | 113.3 | 75% | 0.747 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.9 | -41.9 | 177.7 | -64.9 | -174.5 | 177.1 | -164.7 | -0.6 | 111.6 | N15 N21 | N15-R17 PolarHBondContact O-N 2.96Å; N15-R17 PolarHBondContact OD1-N 3.27Å; N15-R17 WeakPolarHBondContact OD1-CB 3.18Å; N15-R17 VanDerWaalsContact O-N 3.13Å; R17-N21 WeakPolarHBondContact O-CB 3.38Å; R17-N21 PolarHBondContact O-N 3.34Å; R17-N21 PolarHBondContact O-ND2 3.45Å |
| 18 | F | 87 | Confident | 80.5 | Confident | 130 Ų | 130 | 110.4 Ų | 110.4 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.8 | -50.3 | 176.6 | -177.8 | -95.3 | 0 | 0 | 0 | 110.2 | N15 I20 N21 T22 | N15-F18 HydrophobicContact CB-CB 4.02Å; N15-F18 WeakPolarHBondContact O-CA 3.28Å; N15-F18 VanDerWaalsContact O-CB 3.31Å; N15-F18 WeakPolarHBondContact O-CB 3.4Å; N15-F18 PolarHBondContact O-N 3.15Å; F18-I20 PolarHBondContact O-N 3.43Å; F18-N21 PolarHBondContact O-N 3.28Å; F18-T22 WeakPolarHBondContact O-CB 3.36Å; F18-T22 PolarHBondContact O-N 2.83Å; F18-T22 PolarHBondContact O-OG1 3.25Å |
| 19 | L | 86.8 | Confident | 79.8 | Confident | 62 Ų | 62 | 106.7 Ų | 106.7 | 33% | 0.325 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -57.3 | -48.3 | 178.9 | -177.4 | 61.5 | 0 | 0 | 0 | 112.6 | P10 N15 N21 T22 I23 | P10-L19 HydrophobicContact CG-CD1 3.61Å; N15-L19 PolarHBondContact O-N 2.7Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 2.79Å; L19-T22 PolarHBondContact O-N 3.41Å; L19-I23 HydrophobicContact CD1-CD1 3.89Å; L19-I23 HydrophobicContact CD1-CG1 4.37Å; L19-I23 HydrophobicContact CG-CD1 4Å; L19-I23 WeakPolarHBondContact O-CG1 3.32Å; L19-I23 PolarHBondContact O-N 3.04Å |
| 20 | I | 88.1 | Confident | 79.3 | Confident | 84 Ų | 84 | 108.3 Ų | 108.3 | 43% | 0.431 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.3 | -44.2 | -179.9 | -69.7 | 165.8 | 0 | 0 | 0 | 111.1 | K16 F18 K24 | K16-I20 WeakPolarHBondContact O-CD1 3.49Å; K16-I20 VanDerWaalsContact O-N 3.07Å; K16-I20 PolarHBondContact O-N 3.21Å; K16-I20 VanDerWaalsContact O-CG1 3.23Å; K16-I20 WeakPolarHBondContact O-CG1 3.45Å; F18-I20 PolarHBondContact O-N 3.43Å; I20-K24 PolarHBondContact O-N 3.45Å; I20-K24 HydrophobicContact CG2-CG 4.49Å; I20-K24 WeakPolarHBondContact O-CG 3.23Å; I20-K24 WeakPolarHBondContact O-CB 3.42Å; I20-K24 VanDerWaalsContact O-CG 3.28Å; I20-K24 HydrophobicContact CG2-CD 3.84Å |
| 21 | N | 88.5 | Confident | 78.6 | Confident | 86 Ų | 86 | 113.2 Ų | 113.2 | 46% | 0.46 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.8 | -38 | -178 | -70.5 | -6.7 | 0 | 0 | 0 | 111.5 | R17 F18 L19 K24 N25 | R17-N21 WeakPolarHBondContact O-CB 3.38Å; R17-N21 PolarHBondContact O-N 3.34Å; R17-N21 PolarHBondContact O-ND2 3.45Å; F18-N21 PolarHBondContact O-N 3.28Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 2.79Å; N21-K24 PolarHBondContact O-N 2.86Å; N21-N25 WeakPolarHBondContact O-CB 3.31Å; N21-N25 PolarHBondContact O-N 3.39Å; N21-N25 PolarHBondContact O-ND2 2.89Å |
| 22 | T | 87.1 | Confident | 77.6 | Confident | 50 Ų | 50 | 116.8 Ų | 116.8 | 31% | 0.307 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.1 | -53.4 | 174.4 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | F18 L19 K24 N25 T26 | F18-T22 WeakPolarHBondContact O-CB 3.36Å; F18-T22 PolarHBondContact O-N 2.83Å; F18-T22 PolarHBondContact O-OG1 3.25Å; L19-T22 PolarHBondContact O-N 3.41Å; T22-K24 VanDerWaalsContact C-N 3.31Å; T22-K24 PolarHBondContact O-N 3.24Å; T22-N25 PolarHBondContact O-N 3.07Å; T22-T26 PolarHBondContact O-N 3.31Å; T22-T26 PolarHBondContact O-OG1 3.49Å; T22-T26 WeakPolarHBondContact O-CB 3.37Å; T22-T26 HydrophobicContact CG2-CG2 4.18Å |
| 23 | I | 85.4 | Confident | 76.8 | Confident | 89 Ų | 89 | 118.2 Ų | 118.2 | 46% | 0.456 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -57.8 | -43.8 | 179.7 | -68.3 | 170 | 0 | 0 | 0 | 111.6 | L19 L27 | L19-I23 HydrophobicContact CD1-CD1 3.89Å; L19-I23 HydrophobicContact CD1-CG1 4.37Å; L19-I23 HydrophobicContact CG-CD1 4Å; L19-I23 WeakPolarHBondContact O-CG1 3.32Å; L19-I23 PolarHBondContact O-N 3.04Å; I23-L27 HydrophobicContact CB-CD1 4.48Å; I23-L27 HydrophobicContact CG1-CD1 4.42Å; I23-L27 HydrophobicContact CG2-CD1 4.16Å; I23-L27 WeakPolarHBondContact O-CB 3.43Å; I23-L27 PolarHBondContact O-N 3.03Å |
| 24 | K | 85.4 | Confident | 75.6 | Confident | 154 Ų | 154 | 120.4 Ų | 120.4 | 67% | 0.67 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.3 | -31.4 | -177.4 | -73.7 | 178.4 | 176.6 | -177.7 | 0 | 114.3 | I20 N21 T22 | I20-K24 PolarHBondContact O-N 3.45Å; I20-K24 HydrophobicContact CG2-CG 4.49Å; I20-K24 WeakPolarHBondContact O-CG 3.23Å; I20-K24 WeakPolarHBondContact O-CB 3.42Å; I20-K24 VanDerWaalsContact O-CG 3.28Å; I20-K24 HydrophobicContact CG2-CD 3.84Å; N21-K24 PolarHBondContact O-N 2.86Å; T22-K24 VanDerWaalsContact C-N 3.31Å; T22-K24 PolarHBondContact O-N 3.24Å |
| 25 | N | 83.3 | Confident | 74.1 | Confident | 129 Ų | 129 | 125.9 Ų | 125.9 | 69% | 0.69 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -101.5 | -30.4 | -171.2 | -62.1 | -30.7 | 0 | 0 | 0 | 113 | N21 T22 | N21-N25 WeakPolarHBondContact O-CB 3.31Å; N21-N25 PolarHBondContact O-N 3.39Å; N21-N25 PolarHBondContact O-ND2 2.89Å; T22-N25 PolarHBondContact O-N 3.07Å |
| 26 | T | 81.4 | Confident | 72.2 | Confident | 95 Ų | 95 | 129.5 Ų | 129.5 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -101.8 | -24.5 | -176 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | T22 | T22-T26 PolarHBondContact O-N 3.31Å; T22-T26 PolarHBondContact O-OG1 3.49Å; T22-T26 WeakPolarHBondContact O-CB 3.37Å; T22-T26 HydrophobicContact CG2-CG2 4.18Å |
| 27 | L | 74.4 | Confident | 70 | Confident | 101 Ų | 101 | 130.1 Ų | 130.1 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -91.2 | 128.2 | 173.4 | -56.2 | -179.9 | 0 | 0 | 0 | 108.2 | I23 S29 | I23-L27 HydrophobicContact CB-CD1 4.48Å; I23-L27 HydrophobicContact CG1-CD1 4.42Å; I23-L27 HydrophobicContact CG2-CD1 4.16Å; I23-L27 WeakPolarHBondContact O-CB 3.43Å; I23-L27 PolarHBondContact O-N 3.03Å; L27-S29 PolarHBondContact O-N 3.04Å; L27-S29 VanDerWaalsContact O-N 3.15Å |
| 28 | P | 71.4 | Confident | 67.8 | Low | 113 Ų | 113 | 130.8 Ų | 130.8 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | | | trans | -54.1 | 127.1 | 164.7 | 23.9 | -30.5 | 0 | 0 | 0 | 106.8 | H30 | P28-H30 PolarHBondContact O-N 3.36Š|
| 29 | S | 62.3 | Low | 65.7 | Low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | | | trans | -58.4 | 105.8 | 176.7 | -169.7 | 0 | 0 | 0 | 0 | 106.7 | L27 K31 | L27-S29 PolarHBondContact O-N 3.04Å; L27-S29 VanDerWaalsContact O-N 3.15Å; S29-K31 PolarHBondContact O-N 3.4Å |
| 30 | H | 58.1 | Low | 63.4 | Low | 139 Ų | 139 | 134.7 Ų | 134.7 | 64% | 0.644 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -70.9 | 70.8 | -176.2 | -171.2 | -65.9 | 0 | 0 | 0 | 109.5 | P28 Q33 | P28-H30 PolarHBondContact O-N 3.36Å; H30-Q33 PolarHBondContact CE1-O 2.92Å; H30-Q33 PolarHBondContact NE2-O 2.85Å |
| 31 | K | 55.9 | Low | 61.2 | Low | 184 Ų | 184 | 137.4 Ų | 137.4 | 80% | 0.8 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -119.2 | 5.4 | 167.6 | -70.8 | -155.8 | 170.6 | -164.4 | 0 | 112.2 | S29 | S29-K31 PolarHBondContact O-N 3.4Š|
| 32 | E | 52.4 | Low | 59 | Low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -132.9 | 17.6 | -179.8 | -68.4 | -172 | 169 | 0 | 0 | 114.9 | | |
| 33 | Q | 47 | Very low | 56.8 | Low | 148 Ų | 148 | 147.9 Ų | 147.9 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | | | trans | -133.1 | 50.9 | 166.4 | -99.9 | -173.9 | -28.4 | 0 | 0 | 111.4 | H30 | H30-Q33 PolarHBondContact CE1-O 2.92Å; H30-Q33 PolarHBondContact NE2-O 2.85Å |
| 34 | D | 46.2 | Very low | 55.6 | Low | 145 Ų | 145 | 148.3 Ų | 148.3 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | trans | -91.3 | 29.9 | 162.9 | -147 | -0.1 | 0 | 0 | 0 | 111.3 | | |
| 35 | H | 48.8 | Very low | 53.6 | Low | 165 Ų | 165 | 144.7 Ų | 144.7 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | trans | -136.8 | 128.8 | 173.6 | -78.7 | -84 | 0 | 0 | 0 | 109.1 | | |
| 36 | E | 48.7 | Very low | 52 | Low | 182 Ų | 182 | 148 Ų | 148 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 81.4 | 93.4 | -178.6 | -48.3 | -176.3 | 139.7 | 0 | 0 | 112.5 | | |
| 37 | Q | 41.3 | Very low | 50.6 | Low | 189 Ų | 189 | 149.4 Ų | 149.4 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | cis | -156.6 | 110.5 | 46 | -74.2 | 166.8 | -28.5 | 0 | 0 | 109.1 | | |
| 38 | K | 43.6 | Very low | 49.5 | Very low | 212 Ų | 212 | 153 Ų | 153 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | | | trans | -70.6 | 119.8 | 148.8 | -93.2 | -161 | 175.3 | -171.6 | 0 | 107.2 | | |
| 39 | E | 44 | Very low | 48.4 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | | | trans | -156.6 | 125.4 | 142.2 | -122.1 | 177.6 | -171.9 | 0 | 0 | 109.5 | | |
| 40 | G | 37.5 | Very low | 48.1 | Very low | 74 Ų | 74 | 156 Ų | 156 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 111 | 72.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 41 | D | 41.8 | Very low | 47.9 | Very low | 140 Ų | 140 | 158.4 Ų | 158.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | 82 | 126.1 | 130.8 | -145.1 | 15.5 | 0 | 0 | 0 | 120.9 | | |
| 42 | K | 42.8 | Very low | 47.7 | Very low | 170 Ų | 170 | 157.8 Ų | 157.8 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | | | trans | 91.7 | 95.1 | 157.6 | -48.9 | -159.7 | -178.3 | -178 | 0 | 121.9 | | |
| 43 | E | 41.9 | Very low | 48.1 | Very low | 186 Ų | 186 | 157.4 Ų | 157.4 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | | 74.6 | 150.2 | 125.6 | -81 | -87.9 | 126 | 0 | 0 | 121.5 | | |
| 44 | P | 60.1 | Low | 48.7 | Very low | 99 Ų | 99 | 156.4 Ų | 156.4 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | | | trans | -117 | 179.6 | -141.8 | 43.2 | -33.6 | 0 | 0 | 0 | 114.7 | | |
| 45 | A | 43.2 | Very low | 49.6 | Very low | 78 Ų | 78 | 154.6 Ų | 154.6 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | | | trans | 108 | 114.9 | 142 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 46 | K | 49.9 | Very low | 50.2 | Low | 198 Ų | 198 | 155.3 Ų | 155.3 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | 82.6 | 93.8 | 142.5 | -61.3 | 166 | -172.6 | -177.4 | 0 | 117.7 | | |
| 47 | S | 50.9 | Low | 50.8 | Low | 124 Ų | 124 | 156.2 Ų | 156.2 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | | -145.4 | 82.3 | 120.2 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | A49 | S47-A49 PolarHBondContact O-N 2.92Š|
| 48 | Q | 51.2 | Low | 52 | Low | 177 Ų | 177 | 156.7 Ų | 156.7 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -61.4 | 121 | 154.7 | -78.9 | 176 | -45.4 | 0 | 0 | 107.9 | | |
| 49 | A | 48.8 | Very low | 53.3 | Low | 97 Ų | 97 | 158.2 Ų | 158.2 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -138.1 | 77.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | S47 K51 | S47-A49 PolarHBondContact O-N 2.92Å; A49-K51 PolarHBondContact O-N 2.93Å |
| 50 | Q | 56.8 | Low | 54.5 | Low | 181 Ų | 181 | 154.1 Ų | 154.1 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -64 | 113 | 155.2 | -75.4 | -177.9 | -37.1 | 0 | 0 | 108.2 | | |
| 51 | K | 53.2 | Low | 56 | Low | 190 Ų | 190 | 158.3 Ų | 158.3 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -176.7 | 124.6 | 157.2 | -115.1 | -176 | 176.4 | -176.1 | 0 | 105.8 | A49 | A49-K51 PolarHBondContact O-N 2.93Š|
| 52 | E | 51.9 | Low | 57.4 | Low | 171 Ų | 171 | 157.4 Ų | 157.4 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | cis | -142.6 | 127.8 | 20.2 | -78.2 | 169.4 | 135.6 | 0 | 0 | 109 | N54 | E52-N54 PolarHBondContact O-N 3.13Š|
| 53 | E | 60.7 | Low | 58.7 | Low | 179 Ų | 179 | 157.9 Ų | 157.9 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -60.4 | 112.1 | 150.5 | 174.3 | -159.5 | 164.5 | 0 | 0 | 108.4 | | |
| 54 | N | 60 | Low | 59.8 | Low | 127 Ų | 127 | 158.2 Ų | 158.2 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | | | trans | 163.5 | 105.5 | 140.3 | -98.6 | -85.8 | 0 | 0 | 0 | 111.4 | E52 | E52-N54 PolarHBondContact O-N 3.13Š|
| 55 | P | 64.1 | Low | 60 | Low | 107 Ų | 107 | 160.7 Ų | 160.7 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | | | trans | -89.1 | 138.2 | 159.4 | 33.2 | -25.8 | 0 | 0 | 0 | 109.4 | | |
| 56 | K | 61.5 | Low | 61.1 | Low | 181 Ų | 181 | 160.1 Ų | 160.1 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | | | trans | 90.9 | 117.7 | 177 | -50.1 | 153.6 | -176.8 | 179.5 | 0 | 110.9 | | |
| 57 | K | 62.2 | Low | 61.5 | Low | 201 Ų | 201 | 158.3 Ų | 158.3 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | | -153.7 | 110.1 | 65 | -70.4 | 161.4 | -169.3 | 178.8 | 0 | 110 | R59 | K57-R59 PolarHBondContact O-N 3.44Š|
| 58 | H | 65.6 | Low | 61.7 | Low | 198 Ų | 198 | 161 Ų | 161 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | | | trans | -76.3 | 109.6 | 162.5 | -81.8 | -81.1 | 0 | 0 | 0 | 108.5 | S60 | H58-S60 PolarHBondContact O-N 3.4Š|
| 59 | R | 71.7 | Confident | 62.2 | Low | 245 Ų | 245 | 157.6 Ų | 157.6 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 122.4 | 171.7 | -170.8 | 166.9 | -178.7 | 158.4 | -1.7 | 108.6 | K57 H61 | K57-R59 PolarHBondContact O-N 3.44Å; R59-H61 PolarHBondContact O-N 3.13Å |
| 60 | S | 67.9 | Low | 62.7 | Low | 114 Ų | 114 | 162.8 Ų | 162.8 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 124.9 | 178.7 | 43 | 0 | 0 | 0 | 0 | 110.4 | H58 | H58-S60 PolarHBondContact O-N 3.4Š|
| 61 | H | 69.8 | Low | 62.6 | Low | 162 Ų | 162 | 157.6 Ų | 157.6 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 130.7 | 178.4 | -169.1 | -60.3 | 0 | 0 | 0 | 110.4 | R59 Y63 | R59-H61 PolarHBondContact O-N 3.13Å; H61-Y63 PolarHBondContact O-N 2.73Å; H61-Y63 PolarHBondContact ND1-N 3.37Å |
| 62 | P | 71.2 | Confident | 62.9 | Low | 120 Ų | 120 | 155 Ų | 155 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | -89 | 78.5 | 177.8 | 35.7 | -31.6 | 0 | 0 | 0 | 109.6 | | |
| 63 | Y | 69.6 | Low | 63.3 | Low | 180 Ų | 180 | 150.9 Ų | 150.9 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -148.5 | 104 | 162.3 | -160 | -110.8 | 0 | 0 | 0 | 112.1 | H61 H65 | H61-Y63 PolarHBondContact O-N 2.73Å; H61-Y63 PolarHBondContact ND1-N 3.37Å; Y63-H65 HydrophobicContact CE1-CB 4.38Å |
| 64 | K | 64.8 | Low | 63.2 | Low | 194 Ų | 194 | 147.6 Ų | 147.6 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | -91 | 121 | 167.9 | -74.8 | -174.6 | 175.5 | -177.3 | 0 | 108.1 | | |
| 65 | H | 64.6 | Low | 63.4 | Low | 151 Ų | 151 | 151.9 Ų | 151.9 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | -97.8 | 94 | 161.6 | -169.8 | -68.5 | 0 | 0 | 0 | 109.1 | Y63 | Y63-H65 HydrophobicContact CE1-CB 4.38Š|
| 66 | S | 67.6 | Low | 63.4 | Low | 66 Ų | 66 | 151.7 Ų | 151.7 | 46% | 0.462 | 78% | 0.776 | S | S | . | * | | | trans | -95.6 | 149 | 168.1 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 67 | F | 57.7 | Low | 64.1 | Low | 159 Ų | 159 | 147.6 Ų | 147.6 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | | | trans | 85.4 | 134.6 | 164.1 | -47 | -68.4 | 0 | 0 | 0 | 115 | | |
| 68 | R | 55.4 | Low | 64.6 | Low | 182 Ų | 182 | 144 Ų | 144 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | | | cis | -151 | 137.5 | 19.9 | -67.8 | 176.5 | 178.3 | -100.7 | 2 | 110.7 | R70 | R68-R70 HydrophobicContact CB-CG 4.47Š|
| 69 | A | 61 | Low | 64.6 | Low | 105 Ų | 105 | 146.3 Ų | 146.3 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | | | trans | -65.5 | 124.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 70 | R | 59.1 | Low | 64.2 | Low | 205 Ų | 205 | 144.3 Ų | 144.3 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | trans | -146.2 | 118.3 | 162.6 | -76.8 | -169.8 | -170.6 | 167.8 | 3.5 | 109.9 | R68 | R68-R70 HydrophobicContact CB-CG 4.47Š|
| 71 | G | 55.1 | Low | 64 | Low | 73 Ų | 73 | 150.9 Ų | 150.9 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | trans | 90.3 | 96.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | A73 | G71-A73 PolarHBondContact O-N 3.18Š|
| 72 | S | 59.1 | Low | 63.6 | Low | 134 Ų | 134 | 148.1 Ų | 148.1 | 94% | 0.937 | 77% | 0.77 | S | S | * | * | | | trans | -52.5 | 117.7 | 146.2 | 167.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 73 | A | 61.1 | Low | 63.1 | Low | 86 Ų | 86 | 148 Ų | 148 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | -144.9 | 96.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G71 | G71-A73 PolarHBondContact O-N 3.18Š|
| 74 | S | 58.8 | Low | 62.8 | Low | 109 Ų | 109 | 147.5 Ų | 147.5 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | 61.1 | 102.5 | 146.2 | -42.8 | 0 | 0 | 0 | 0 | 118 | S76 | S74-S76 PolarHBondContact O-N 2.93Å; S74-S76 VanDerWaalsContact O-N 3.14Å |
| 75 | Y | 63.4 | Low | 62.5 | Low | 217 Ų | 217 | 146.6 Ų | 146.6 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -42.3 | 110.4 | 162.8 | -177 | -97.2 | 0 | 0 | 0 | 112.6 | | |
| 76 | S | 65.1 | Low | 62.3 | Low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -151.7 | 119.3 | 159.9 | -80.2 | 0 | 0 | 0 | 0 | 109.7 | S74 | S74-S76 PolarHBondContact O-N 2.93Å; S74-S76 VanDerWaalsContact O-N 3.14Å |
| 77 | P | 76.4 | Confident | 61.9 | Low | 95 Ų | 95 | 156.5 Ų | 156.5 | 62% | 0.617 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 146.5 | 173.4 | -17.4 | 29.3 | 0 | 0 | 0 | 111.3 | R79 | P77-R79 PolarHBondContact O-N 3.35Š|
| 78 | P | 72.7 | Confident | 62.1 | Low | 125 Ų | 125 | 158.3 Ų | 158.3 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 121.3 | 174.7 | 25.2 | -32.4 | 0 | 0 | 0 | 110.7 | K80 | P78-K80 PolarHBondContact O-N 2.82Š|
| 79 | R | 64 | Low | 62.3 | Low | 247 Ų | 247 | 159.7 Ų | 159.7 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 119.6 | 172.7 | -81.9 | -174.3 | 173.5 | -147.9 | -0.3 | 110 | P77 R81 | P77-R79 PolarHBondContact O-N 3.35Å; R79-R81 PolarHBondContact O-N 3.23Å |
| 80 | K | 64.9 | Low | 62.2 | Low | 203 Ų | 203 | 166 Ų | 166 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 120.8 | 169.1 | -65.8 | -78.3 | -170.7 | -179.9 | 0 | 109.3 | P78 | P78-K80 PolarHBondContact O-N 2.82Š|
| 81 | R | 63.7 | Low | 62.2 | Low | 251 Ų | 251 | 161.2 Ų | 161.2 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 122.7 | 163.7 | -77.7 | -178.9 | -179.1 | 169.6 | 0.3 | 108 | R79 | R79-R81 PolarHBondContact O-N 3.23Š|
| 82 | S | 60 | Low | 62.1 | Low | 104 Ų | 104 | 165 Ų | 165 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 147.5 | -173 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | Q84 | S82-Q84 PolarHBondContact O-N 2.68Š|
| 83 | S | 61.3 | Low | 62.1 | Low | 119 Ų | 119 | 170.6 Ų | 170.6 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | | | trans | -70.2 | 111.2 | 168.8 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 84 | Q | 63.1 | Low | 61.6 | Low | 169 Ų | 169 | 181.6 Ų | 181.6 | 79% | 0.79 | 86% | 0.857 | S | S | * | * | | | trans | -162.5 | 48 | 163.8 | -119.8 | 173 | -9 | 0 | 0 | 113.3 | S82 | S82-Q84 PolarHBondContact O-N 2.68Š|
| 85 | D | 58.5 | Low | 61.7 | Low | 174 Ų | 174 | 185.3 Ų | 185.3 | 93% | 0.93 | 86% | 0.861 | S | S | * | * | | | trans | -107.1 | 40 | 165.9 | -81.9 | -39.6 | 0 | 0 | 0 | 111.7 | | |
| 86 | K | 60.4 | Low | 61.6 | Low | 198 Ų | 198 | 183.6 Ų | 183.6 | 86% | 0.861 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -129.9 | 108.4 | 162.1 | -73 | -168.9 | 178.9 | -178.7 | 0 | 106.7 | | |
| 87 | Y | 59.4 | Low | 61.4 | Low | 227 Ų | 227 | 188 Ų | 188 | 89% | 0.89 | 87% | 0.869 | S | S | * | * | S | Bend | trans | 126.5 | 52.6 | 155.3 | -148.1 | -94.3 | 0 | 0 | 0 | 117.1 | | |
| 88 | E | 60.8 | Low | 60.5 | Low | 198 Ų | 198 | 193.5 Ų | 193.5 | 93% | 0.925 | 88% | 0.884 | S | S | * | * | | | trans | -140.4 | 40.2 | 155 | -78.6 | -157.6 | 161.7 | 0 | 0 | 112.7 | R90 | E88-R90 PolarHBondContact O-N 3.34Š|
| 89 | K | 60.7 | Low | 59.8 | Low | 210 Ų | 210 | 197.8 Ų | 197.8 | 91% | 0.913 | 89% | 0.889 | S | S | * | * | | | trans | -93 | 69.8 | 168.6 | -139.3 | -179.4 | -165.9 | -173.6 | 0 | 110.2 | | |
| 90 | R | 59.3 | Low | 59.5 | Low | 238 Ų | 238 | 194.5 Ų | 194.5 | 90% | 0.898 | 89% | 0.886 | S | S | * | * | | | trans | 164 | 146.6 | 149.7 | -95.6 | 169.1 | 178.1 | -177.8 | -0.6 | 111.6 | E88 | E88-R90 PolarHBondContact O-N 3.34Š|
| 91 | S | 59.2 | Low | 59.1 | Low | 104 Ų | 104 | 193.9 Ų | 193.9 | 73% | 0.727 | 89% | 0.886 | S | S | * | * | | | trans | 91.4 | 122.2 | 177 | 87 | 0 | 0 | 0 | 0 | 112.5 | | |
| 92 | N | 53.2 | Low | 58.8 | Low | 153 Ų | 153 | 189.5 Ų | 189.5 | 82% | 0.818 | 88% | 0.882 | S | S | * | * | | | cis | -148.7 | 138.8 | 14.5 | -82.1 | -65.7 | 0 | 0 | 0 | 109.2 | | |
| 93 | R | 57.3 | Low | 58.6 | Low | 252 Ų | 252 | 196.6 Ų | 196.6 | 95% | 0.951 | 89% | 0.894 | S | S | * | * | | | trans | -103.7 | 110.9 | 158.3 | -135.8 | 179.6 | -162.6 | -178.9 | 3.7 | 105.6 | | |
| 94 | R | 50.5 | Low | 58.4 | Low | 317 Ų | 317 | 203.6 Ų | 203.6 | 100% | 1.196 | 90% | 0.9 | S | S | * | * | | | trans | -90.6 | 0 | 158.4 | -99.1 | -174.3 | 177.8 | 178.4 | -1 | 107.7 | | |