| 1 | M | 39.4 | Very low | 55.4 | Low | 242 Ų | 242 | 132 Ų | 132 | 100% | 1.192 | 80% | 0.801 | S | S | * | * | | | | 0 | 130.9 | 0 | -77.5 | 160.3 | 95.5 | 0 | 0 | 107.7 | | |
| 2 | S | 45.7 | Very low | 55.8 | Low | 122 Ų | 122 | 131.1 Ų | 131.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | 6.3 | 124.9 | 173.8 | -48 | 0 | 0 | 0 | 0 | 119.8 | | |
| 3 | G | 51.8 | Low | 56.4 | Low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -58.9 | 139.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | S5 | G3-S5 PolarHBondContact O-N 3.24Å; G3-S5 VanDerWaalsContact C-N 3.26Å |
| 4 | A | 53.9 | Low | 57.1 | Low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | -80 | 85.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | S6 | A4-S6 PolarHBondContact O-N 3.42Š|
| 5 | S | 57.6 | Low | 57.5 | Low | 117 Ų | 117 | 133.5 Ų | 133.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -60.1 | 94.1 | 150.7 | -73.9 | 0 | 0 | 0 | 0 | 105 | G3 S7 | G3-S5 PolarHBondContact O-N 3.24Å; G3-S5 VanDerWaalsContact C-N 3.26Å; S5-S7 PolarHBondContact O-N 2.8Å |
| 6 | S | 60.7 | Low | 57.9 | Low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | -64.3 | 89.1 | 162.8 | -170.5 | 0 | 0 | 0 | 0 | 104.1 | A4 E8 | A4-S6 PolarHBondContact O-N 3.42Å; S6-E8 PolarHBondContact O-N 2.77Å |
| 7 | S | 61.5 | Low | 58.4 | Low | 90 Ų | 90 | 134.9 Ų | 134.9 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | | | trans | -50 | 99.2 | 164 | 168.9 | 0 | 0 | 0 | 0 | 104.4 | S5 Q9 | S5-S7 PolarHBondContact O-N 2.8Å; S7-Q9 PolarHBondContact O-N 2.81Å |
| 8 | E | 60.3 | Low | 59.1 | Low | 177 Ų | 177 | 134.2 Ų | 134.2 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | | | trans | -46.4 | 102.8 | 161.6 | -82.6 | 157.5 | 95.5 | 0 | 0 | 104.3 | S6 N10 | S6-E8 PolarHBondContact O-N 2.77Å; E8-N10 PolarHBondContact O-N 2.84Å |
| 9 | Q | 61.1 | Low | 59.7 | Low | 163 Ų | 163 | 131.8 Ų | 131.8 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | trans | -62.1 | 98.7 | 179.1 | -69.7 | 179.4 | -79.7 | 0 | 0 | 104.1 | S7 N11 | S7-Q9 PolarHBondContact O-N 2.81Å; Q9-N11 VanDerWaalsContact C-N 3.28Å; Q9-N11 PolarHBondContact O-N 2.72Å; Q9-N11 PolarHBondContact O-ND2 3.11Å |
| 10 | N | 58.1 | Low | 60.3 | Low | 117 Ų | 117 | 133.1 Ų | 133.1 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | | | trans | -58 | 97.3 | 178.8 | 168.9 | 8.3 | 0 | 0 | 0 | 106.7 | E8 N12 | E8-N10 PolarHBondContact O-N 2.84Å; N10-N12 PolarHBondContact O-N 2.88Å; N10-N12 VanDerWaalsContact O-N 3.11Å; N10-N12 WeakPolarHBondContact OD1-CA 3.11Å; N10-N12 WeakPolarHBondContact OD1-CB 3.37Å; N10-N12 PolarHBondContact OD1-N 2.71Å |
| 11 | N | 59.2 | Low | 60.6 | Low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | | | trans | -73.4 | 12.1 | 176.5 | -67 | -47.7 | 0 | 0 | 0 | 112 | Q9 S13 | Q9-N11 VanDerWaalsContact C-N 3.28Å; Q9-N11 PolarHBondContact O-N 2.72Å; Q9-N11 PolarHBondContact O-ND2 3.11Å; N11-S13 PolarHBondContact O-N 2.7Å |
| 12 | N | 59.8 | Low | 62.2 | Low | 121 Ų | 121 | 132.5 Ų | 132.5 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | | | trans | -89.2 | 47.8 | 165.7 | -55 | -3.9 | 0 | 0 | 0 | 109.6 | N10 Y14 | N10-N12 PolarHBondContact O-N 2.88Å; N10-N12 VanDerWaalsContact O-N 3.11Å; N10-N12 WeakPolarHBondContact OD1-CA 3.11Å; N10-N12 WeakPolarHBondContact OD1-CB 3.37Å; N10-N12 PolarHBondContact OD1-N 2.71Å; N12-Y14 PolarHBondContact O-N 2.77Å |
| 13 | S | 64.6 | Low | 63.2 | Low | 79 Ų | 79 | 134.6 Ų | 134.6 | 55% | 0.552 | 74% | 0.736 | S | S | * | * | | | trans | -67.2 | 96.3 | 154 | 61.5 | 0 | 0 | 0 | 0 | 105.3 | N11 E15 | N11-S13 PolarHBondContact O-N 2.7Å; S13-E15 PolarHBondContact O-N 3.2Å |
| 14 | Y | 65.3 | Low | 64.4 | Low | 209 Ų | 209 | 136.6 Ų | 136.6 | 82% | 0.82 | 74% | 0.738 | S | S | * | * | | | trans | -63.1 | 63.1 | 153 | -80.1 | -93.7 | 0 | 0 | 0 | 106.6 | N12 T16 | N12-Y14 PolarHBondContact O-N 2.77Å; Y14-T16 PolarHBondContact O-N 2.77Å |
| 15 | E | 63.1 | Low | 65.4 | Low | 141 Ų | 141 | 140.7 Ų | 140.7 | 66% | 0.659 | 74% | 0.741 | S | S | * | * | | | trans | -65.6 | 88.8 | 164.6 | -63.6 | -153.6 | 121.7 | 0 | 0 | 104 | S13 K17 | S13-E15 PolarHBondContact O-N 3.2Å; E15-K17 PolarHBondContact O-N 2.93Å |
| 16 | T | 63.9 | Low | 66.2 | Low | 117 Ų | 117 | 143.2 Ų | 143.2 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | | | trans | -66.2 | 82.1 | 162.9 | -51.2 | 0 | 0 | 0 | 0 | 103.8 | Y14 T18 | Y14-T16 PolarHBondContact O-N 2.77Å; T16-T18 VanDerWaalsContact C-N 3.26Å; T16-T18 PolarHBondContact O-N 2.75Å |
| 17 | K | 67.4 | Low | 66.9 | Low | 175 Ų | 175 | 147.4 Ų | 147.4 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | | | trans | -53.6 | 102.3 | 172.1 | -79.8 | -175.6 | 179 | 179.2 | 0 | 104.4 | E15 P19 | E15-K17 PolarHBondContact O-N 2.93Å; K17-P19 WeakPolarHBondContact O-CD 3.1Å |
| 18 | T | 70.4 | Confident | 67.2 | Low | 121 Ų | 121 | 146.5 Ų | 146.5 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | | | trans | -62.6 | 111.8 | -177.7 | -27 | 0 | 0 | 0 | 0 | 103.9 | T16 N20 | T16-T18 VanDerWaalsContact C-N 3.26Å; T16-T18 PolarHBondContact O-N 2.75Å; T18-N20 PolarHBondContact O-N 2.9Å |
| 19 | P | 71.3 | Confident | 67.7 | Low | 89 Ų | 89 | 143.7 Ų | 143.7 | 58% | 0.578 | 73% | 0.733 | S | S | * | * | | | trans | -56.2 | 133.4 | 175.2 | 23.1 | -29.8 | 0 | 0 | 0 | 105.2 | K17 L21 | K17-P19 WeakPolarHBondContact O-CD 3.1Å; P19-L21 HydrophobicContact CG-CD1 4.13Å; P19-L21 HydrophobicContact CG-CG 4.19Å; P19-L21 PolarHBondContact O-N 2.78Å |
| 20 | N | 70.1 | Confident | 68 | Low | 157 Ų | 157 | 146.9 Ų | 146.9 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | | | trans | -63 | 75.5 | 177.2 | -74.3 | -78 | 0 | 0 | 0 | 108.6 | T18 R22 | T18-N20 PolarHBondContact O-N 2.9Å; N20-R22 PolarHBondContact O-N 3.18Å |
| 21 | L | 68 | Low | 68.1 | Low | 131 Ų | 131 | 145.9 Ų | 145.9 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | | | trans | -75.3 | 82.8 | 175.3 | -79.5 | 165.6 | 0 | 0 | 0 | 105.4 | P19 M23 | P19-L21 HydrophobicContact CG-CD1 4.13Å; P19-L21 HydrophobicContact CG-CG 4.19Å; P19-L21 PolarHBondContact O-N 2.78Å; L21-M23 PolarHBondContact O-N 2.61Å |
| 22 | R | 73.5 | Confident | 68.2 | Low | 232 Ų | 232 | 142.7 Ų | 142.7 | 88% | 0.875 | 73% | 0.734 | S | S | * | * | | | trans | -63.8 | 83.2 | 160.3 | -74.1 | -84 | 167 | 109.1 | -5.1 | 106.3 | N20 S24 | N20-R22 PolarHBondContact O-N 3.18Å; R22-S24 PolarHBondContact O-N 2.93Å; R22-S24 VanDerWaalsContact C-N 3.31Å |
| 23 | M | 66.3 | Low | 68.1 | Low | 166 Ų | 166 | 141.6 Ų | 141.6 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | -61.6 | 100.6 | 166.2 | -73 | -104.4 | -147.9 | 0 | 0 | 105.6 | L21 E25 | L21-M23 PolarHBondContact O-N 2.61Å; M23-E25 PolarHBondContact O-N 2.8Å; M23-E25 VanDerWaalsContact O-N 3.08Å |
| 24 | S | 76.1 | Confident | 67.9 | Low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -59.5 | 118.1 | 173.3 | -152 | 0 | 0 | 0 | 0 | 106.5 | R22 K26 | R22-S24 PolarHBondContact O-N 2.93Å; R22-S24 VanDerWaalsContact C-N 3.31Å; S24-K26 VanDerWaalsContact C-N 3.33Å; S24-K26 PolarHBondContact O-N 3.08Å |
| 25 | E | 75 | Confident | 67.5 | Low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 72% | 0.718 | S | S | * | * | | | trans | -61.2 | 97.3 | 179 | -65.9 | 178.4 | 132.5 | 0 | 0 | 108.3 | M23 K27 | M23-E25 PolarHBondContact O-N 2.8Å; M23-E25 VanDerWaalsContact O-N 3.08Å; E25-K27 PolarHBondContact O-N 3.16Å; E25-K27 VanDerWaalsContact O-N 3.16Å |
| 26 | K | 75.3 | Confident | 67.3 | Low | 171 Ų | 171 | 132 Ų | 132 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | | | trans | -68.5 | 113.3 | 167.2 | 63.6 | -174.9 | 178.3 | 73.8 | 0 | 106.6 | S24 C28 | S24-K26 VanDerWaalsContact C-N 3.33Å; S24-K26 PolarHBondContact O-N 3.08Å; K26-C28 PolarHBondContact NZ-SG 3.5Å; K26-C28 PolarHBondContact O-N 3.04Å |
| 27 | K | 75.4 | Confident | 67 | Low | 193 Ų | 193 | 135.3 Ų | 135.3 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | | | trans | -60.9 | 104.8 | 167.6 | -80.6 | 176.4 | 170.9 | -172.7 | 0 | 107.3 | E25 C29 | E25-K27 PolarHBondContact O-N 3.16Å; E25-K27 VanDerWaalsContact O-N 3.16Å; K27-C29 PolarHBondContact O-N 2.94Å |
| 28 | C | 68.1 | Low | 66.7 | Low | 72 Ų | 72 | 132.2 Ų | 132.2 | 49% | 0.486 | 70% | 0.704 | S | S | . | * | | | trans | -67.2 | 103.9 | 169.9 | -68.4 | 0 | 0 | 0 | 0 | 107.3 | K26 W30 | K26-C28 PolarHBondContact NZ-SG 3.5Å; K26-C28 PolarHBondContact O-N 3.04Å; C28-W30 VanDerWaalsContact C-N 3.29Å; C28-W30 VanDerWaalsContact CB-CD1 3.48Å; C28-W30 PolarHBondContact O-N 2.93Å |
| 29 | C | 70.6 | Confident | 66.2 | Low | 117 Ų | 117 | 130.2 Ų | 130.2 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | | | trans | -73 | 82.2 | 175.8 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | K27 S31 | K27-C29 PolarHBondContact O-N 2.94Å; C29-S31 PolarHBondContact O-N 3.16Å; C29-S31 VanDerWaalsContact O-N 3.16Å |
| 30 | W | 66.5 | Low | 65.7 | Low | 231 Ų | 231 | 129 Ų | 129 | 88% | 0.875 | 69% | 0.689 | S | S | * | * | | | trans | -75.8 | 12.9 | 176.5 | -81.3 | 80.8 | 0 | 0 | 0 | 114.3 | C28 | C28-W30 VanDerWaalsContact C-N 3.29Å; C28-W30 VanDerWaalsContact CB-CD1 3.48Å; C28-W30 PolarHBondContact O-N 2.93Å |
| 31 | S | 60.4 | Low | 65.4 | Low | 96 Ų | 96 | 126.5 Ų | 126.5 | 67% | 0.671 | 68% | 0.68 | S | S | * | * | | | trans | -125.3 | 59.5 | -175.4 | -157.1 | 0 | 0 | 0 | 0 | 112.3 | C29 | C29-S31 PolarHBondContact O-N 3.16Å; C29-S31 VanDerWaalsContact O-N 3.16Å |
| 32 | A | 60.9 | Low | 65.2 | Low | 75 Ų | 75 | 126.5 Ų | 126.5 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -108.9 | -15.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 33 | V | 59 | Low | 64.6 | Low | 98 Ų | 98 | 121.9 Ų | 121.9 | 59% | 0.594 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -97.1 | -31.7 | -170.6 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 34 | T | 58.8 | Low | 64 | Low | 103 Ų | 103 | 121.5 Ų | 121.5 | 63% | 0.632 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -81.4 | -30.1 | -176.9 | 52 | 0 | 0 | 0 | 0 | 113.6 | | |
| 35 | G | 57.3 | Low | 63.4 | Low | 45 Ų | 45 | 121.8 Ų | 121.8 | 46% | 0.464 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -74 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T39 | G35-T39 PolarHBondContact O-N 2.92Å; G35-T39 PolarHBondContact O-OG1 3.25Å |
| 36 | S | 59.5 | Low | 62.8 | Low | 81 Ų | 81 | 118.4 Ų | 118.4 | 57% | 0.566 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -77.9 | -30.2 | -170 | -156 | 0 | 0 | 0 | 0 | 114.1 | A40 | S36-A40 PolarHBondContact O-N 3.43Å |
| 37 | W | 56.3 | Low | 62.1 | Low | 185 Ų | 185 | 115.4 Ų | 115.4 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -78.9 | -34.2 | 178.1 | -74.2 | 76.9 | 0 | 0 | 0 | 112.2 | T39 A40 T41 | W37-T39 VanDerWaalsContact C-N 3.31Å; W37-T39 PolarHBondContact O-N 3.49Å; W37-A40 PolarHBondContact O-N 3.42Å; W37-T41 PolarHBondContact O-N 3.44Å; W37-T41 VanDerWaalsContact O-N 3.14Å; W37-T41 PolarHBondContact O-OG1 2.8Å |
| 38 | L | 62.6 | Low | 61.3 | Low | 111 Ų | 111 | 110.9 Ų | 110.9 | 58% | 0.581 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.9 | -38.4 | 177 | -177.2 | 62.4 | 0 | 0 | 0 | 111.7 | L42 | L38-L42 HydrophobicContact CD1-CD1 4.29Å; L38-L42 HydrophobicContact CG-CD1 4.2Å; L38-L42 WeakPolarHBondContact O-CG 3.41Å; L38-L42 PolarHBondContact O-N 3.17Å |
| 39 | T | 59.4 | Low | 60.9 | Low | 79 Ų | 79 | 113.3 Ų | 113.3 | 49% | 0.485 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -71.2 | -31.5 | 176.7 | -10.2 | 0 | 0 | 0 | 0 | 112.5 | G35 W37 N43 | G35-T39 PolarHBondContact O-N 2.92Å; G35-T39 PolarHBondContact O-OG1 3.25Å; W37-T39 VanDerWaalsContact C-N 3.31Å; W37-T39 PolarHBondContact O-N 3.49Å; T39-N43 PolarHBondContact O-N 3.14Å; T39-N43 PolarHBondContact O-ND2 3.26Å |
| 40 | A | 61.3 | Low | 60.2 | Low | 63 Ų | 63 | 113.1 Ų | 113.1 | 52% | 0.521 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.3 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | S36 W37 | S36-A40 PolarHBondContact O-N 3.43Å; W37-A40 PolarHBondContact O-N 3.42Å |
| 41 | T | 62.4 | Low | 59.8 | Low | 104 Ų | 104 | 104.6 Ų | 104.6 | 64% | 0.638 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.7 | -33.5 | 178.9 | -54.1 | 0 | 0 | 0 | 0 | 113.2 | W37 N43 | W37-T41 PolarHBondContact O-N 3.44Å; W37-T41 VanDerWaalsContact O-N 3.14Å; W37-T41 PolarHBondContact O-OG1 2.8Å; T41-N43 VanDerWaalsContact C-N 3.33Å |
| 42 | L | 65.1 | Low | 59.8 | Low | 132 Ų | 132 | 105.3 Ų | 105.3 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.7 | -17.6 | 179.6 | -71.6 | 170 | 0 | 0 | 0 | 113.8 | L38 | L38-L42 HydrophobicContact CD1-CD1 4.29Å; L38-L42 HydrophobicContact CG-CD1 4.2Å; L38-L42 WeakPolarHBondContact O-CG 3.41Å; L38-L42 PolarHBondContact O-N 3.17Å |
| 43 | N | 60.9 | Low | 59.7 | Low | 134 Ų | 134 | 107.8 Ų | 107.8 | 72% | 0.717 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 11 | 179.2 | -70.4 | -41.7 | 0 | 0 | 0 | 113.1 | T39 T41 | T39-N43 PolarHBondContact O-N 3.14Å; T39-N43 PolarHBondContact O-ND2 3.26Å; T41-N43 VanDerWaalsContact C-N 3.33Å |
| 44 | S | 53.3 | Low | 59.7 | Low | 159 Ų | 159 | 108.7 Ų | 108.7 | 100% | 1.112 | 65% | 0.646 | S | S | * | * | | | trans | -105.4 | 0 | 176 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | | |