| 1 | M | 45.7 | Very low | 58.2 | Low | 233 Ų | 233 | 131.9 Ų | 131.9 | 100% | 1.148 | 73% | 0.733 | S | S | * | * | | | | 0 | 102.3 | 0 | -65.4 | -76.8 | 83.6 | 0 | 0 | 106 | | |
| 2 | A | 54.5 | Low | 58.1 | Low | 90 Ų | 90 | 130.2 Ų | 130.2 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | | | trans | -76.3 | 126.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | D4 | A2-D4 PolarHBondContact O-N 3.26Š|
| 3 | S | 58.7 | Low | 57.9 | Low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | | | trans | -78 | 98.6 | 173 | 46.8 | 0 | 0 | 0 | 0 | 108.2 | S5 | S3-S5 VanDerWaalsContact C-N 3.35Å; S3-S5 PolarHBondContact O-N 2.81Å |
| 4 | D | 64.3 | Low | 58.1 | Low | 146 Ų | 146 | 127.7 Ų | 127.7 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | | | trans | -69 | 96.8 | 170.9 | -62.2 | -32.2 | 0 | 0 | 0 | 107.5 | A2 I6 | A2-D4 PolarHBondContact O-N 3.26Å; D4-I6 PolarHBondContact O-N 3.18Å |
| 5 | S | 65.7 | Low | 58.1 | Low | 67 Ų | 67 | 129.3 Ų | 129.3 | 47% | 0.469 | 71% | 0.707 | S | S | . | * | | | trans | -63.9 | 118.6 | -179.2 | -76.8 | 0 | 0 | 0 | 0 | 108.6 | S3 F7 E8 | S3-S5 VanDerWaalsContact C-N 3.35Å; S3-S5 PolarHBondContact O-N 2.81Å; S5-F7 PolarHBondContact O-N 2.93Å; S5-E8 WeakPolarHBondContact O-CB 3.41Å; S5-E8 PolarHBondContact O-N 2.96Å |
| 6 | I | 64.1 | Low | 58.1 | Low | 155 Ų | 155 | 128.4 Ų | 128.4 | 80% | 0.795 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | -23.4 | 174.6 | -63.6 | 164.3 | 0 | 0 | 0 | 111.6 | D4 | D4-I6 PolarHBondContact O-N 3.18Š|
| 7 | F | 57.6 | Low | 57.9 | Low | 171 Ų | 171 | 130.2 Ų | 130.2 | 75% | 0.75 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -8.3 | 175.8 | -71.4 | -85.9 | 0 | 0 | 0 | 115.6 | S5 S9 F10 | S5-F7 PolarHBondContact O-N 2.93Å; F7-S9 VanDerWaalsContact C-N 3.33Å; F7-F10 HydrophobicContact CD1-CE2 4.15Å; F7-F10 WeakPolarHBondContact O-CD2 3.2Å |
| 8 | E | 55 | Low | 58.1 | Low | 159 Ų | 159 | 130.2 Ų | 130.2 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -13.6 | 178.1 | -145.4 | 167.6 | -161.1 | 0 | 0 | 111.5 | S5 F10 | S5-E8 WeakPolarHBondContact O-CB 3.41Å; S5-E8 PolarHBondContact O-N 2.96Å; E8-F10 PolarHBondContact O-N 3.24Å |
| 9 | S | 55.4 | Low | 58.3 | Low | 93 Ų | 93 | 133.7 Ų | 133.7 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | | | trans | -82 | 66.5 | 169.1 | -159.8 | 0 | 0 | 0 | 0 | 111.3 | F7 | F7-S9 VanDerWaalsContact C-N 3.33Š|
| 10 | F | 61.6 | Low | 58.4 | Low | 123 Ų | 123 | 130.9 Ų | 130.9 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | | | trans | -125.8 | 80.4 | 157.5 | -67.1 | -82.3 | 0 | 0 | 0 | 110.3 | F7 E8 Y13 | F7-F10 HydrophobicContact CD1-CE2 4.15Å; F7-F10 WeakPolarHBondContact O-CD2 3.2Å; E8-F10 PolarHBondContact O-N 3.24Å; F10-Y13 AromaticContact CD1-CD2 3.61Å; F10-Y13 HydrophobicContact CD1-CD2 3.61Å; F10-Y13 AromaticContact CD1-CE2 3.4Å; F10-Y13 HydrophobicContact CD1-CE2 3.4Å; F10-Y13 VanDerWaalsContact CD1-CE2 3.4Å; F10-Y13 AromaticContact CE1-CD2 3.9Å; F10-Y13 HydrophobicContact CE1-CD2 3.9Å; F10-Y13 AromaticContact CE1-CE2 3.27Å; F10-Y13 HydrophobicContact CE1-CE2 3.27Å; F10-Y13 HydrophobicContact CZ-CE2 4.49Å |
| 11 | P | 57.6 | Low | 58.4 | Low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -136.2 | 45.2 | 145 | 40.1 | -26.6 | 0 | 0 | 0 | 112.2 | | |
| 12 | S | 57.4 | Low | 59 | Low | 111 Ų | 111 | 121.9 Ų | 121.9 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | | | trans | -159.8 | 34.3 | 172.6 | -129.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 13 | Y | 55.1 | Low | 59.2 | Low | 160 Ų | 160 | 122 Ų | 122 | 63% | 0.627 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -75.7 | 127.8 | 155.2 | -75.8 | -92.4 | 0 | 0 | 0 | 107.2 | F10 Q15 | F10-Y13 AromaticContact CD1-CD2 3.61Å; F10-Y13 HydrophobicContact CD1-CD2 3.61Å; F10-Y13 AromaticContact CD1-CE2 3.4Å; F10-Y13 HydrophobicContact CD1-CE2 3.4Å; F10-Y13 VanDerWaalsContact CD1-CE2 3.4Å; F10-Y13 AromaticContact CE1-CD2 3.9Å; F10-Y13 HydrophobicContact CE1-CD2 3.9Å; F10-Y13 AromaticContact CE1-CE2 3.27Å; F10-Y13 HydrophobicContact CE1-CE2 3.27Å; F10-Y13 HydrophobicContact CZ-CE2 4.49Å; Y13-Q15 PolarHBondContact O-N 3.38Å |
| 14 | P | 61.1 | Low | 59.3 | Low | 66 Ų | 66 | 119 Ų | 119 | 43% | 0.429 | 64% | 0.64 | S | S | . | * | | | trans | -56.9 | 123.3 | 175.3 | 20.4 | -27.7 | 0 | 0 | 0 | 107.7 | C16 F17 | P14-C16 HydrophobicContact CB-CB 4.31Å; P14-C16 PolarHBondContact O-N 3.05Å; P14-F17 HydrophobicContact CG-CD2 3.81Å; P14-F17 HydrophobicContact CG-CE2 3.84Å; P14-F17 PolarHBondContact O-N 3.17Å |
| 15 | Q | 57.5 | Low | 59.3 | Low | 152 Ų | 152 | 123 Ų | 123 | 71% | 0.71 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -53.3 | -13.1 | 178.7 | -71.7 | -71.2 | -32.4 | 0 | 0 | 112.5 | Y13 F17 M18 | Y13-Q15 PolarHBondContact O-N 3.38Å; Q15-F17 PolarHBondContact O-N 3.26Å; Q15-M18 PolarHBondContact O-N 3.03Å; Q15-M18 VanDerWaalsContact O-N 3.11Å |
| 16 | C | 58.1 | Low | 59.4 | Low | 115 Ų | 115 | 129.3 Ų | 129.3 | 78% | 0.777 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -53.6 | -29.8 | 169.4 | -43.9 | 0 | 0 | 0 | 0 | 114.4 | P14 | P14-C16 HydrophobicContact CB-CB 4.31Å; P14-C16 PolarHBondContact O-N 3.05Å |
| 17 | F | 54.3 | Low | 59.3 | Low | 158 Ų | 158 | 130.4 Ų | 130.4 | 69% | 0.693 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -93.3 | -13.7 | 177.2 | -65.3 | -68.3 | 0 | 0 | 0 | 113.7 | P14 Q15 R19 | P14-F17 HydrophobicContact CG-CD2 3.81Å; P14-F17 HydrophobicContact CG-CE2 3.84Å; P14-F17 PolarHBondContact O-N 3.17Å; Q15-F17 PolarHBondContact O-N 3.26Å; F17-R19 VanDerWaalsContact C-N 3.3Å; F17-R19 PolarHBondContact O-N 3.25Å |
| 18 | M | 61.9 | Low | 59.5 | Low | 130 Ų | 130 | 127.5 Ų | 127.5 | 64% | 0.64 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -81.3 | 87.1 | 169.1 | -69.7 | -67.9 | 94.2 | 0 | 0 | 107.7 | Q15 D20 | Q15-M18 PolarHBondContact O-N 3.03Å; Q15-M18 VanDerWaalsContact O-N 3.11Å; M18-D20 PolarHBondContact O-N 3.02Å |
| 19 | R | 62.9 | Low | 59.9 | Low | 198 Ų | 198 | 123.4 Ų | 123.4 | 75% | 0.747 | 64% | 0.641 | S | S | * | * | | | trans | -43 | 102.8 | 170.7 | 176 | -176.8 | -96.3 | -140.6 | 12.7 | 109.4 | F17 A21 S24 | F17-R19 VanDerWaalsContact C-N 3.3Å; F17-R19 PolarHBondContact O-N 3.25Å; R19-A21 PolarHBondContact O-N 2.83Å; R19-S24 WeakPolarHBondContact CD-OG 3.32Å; R19-S24 WeakPolarHBondContact CG-OG 3.49Å; R19-S24 PolarHBondContact NE-OG 2.93Å; R19-S24 PolarHBondContact NH1-OG 3.09Å |
| 20 | D | 59.1 | Low | 60.3 | Low | 77 Ų | 77 | 124.5 Ų | 124.5 | 41% | 0.412 | 65% | 0.646 | S | S | . | * | | | trans | -57.2 | 114.1 | 174.6 | 162.5 | 42.2 | 0 | 0 | 0 | 108.5 | M18 S22 T23 S24 | M18-D20 PolarHBondContact O-N 3.02Å; D20-S22 VanDerWaalsContact CG-OG 3.3Å; D20-S22 PolarHBondContact O-N 3.11Å; D20-S22 VanDerWaalsContact O-N 3.08Å; D20-S22 VanDerWaalsContact OD1-CB 3.32Å; D20-S22 WeakPolarHBondContact OD1-CB 2.99Å; D20-S22 PolarHBondContact OD1-N 3.36Å; D20-S22 PolarHBondContact OD1-OG 3.07Å; D20-S22 WeakPolarHBondContact OD2-CB 3.15Å; D20-S22 PolarHBondContact OD2-OG 2.88Å; D20-T23 WeakPolarHBondContact CB-OG1 3.38Å; D20-T23 PolarHBondContact O-N 3.03Å; D20-T23 PolarHBondContact O-OG1 3.23Å; D20-T23 WeakPolarHBondContact OD2-CB 3.41Å; D20-T23 WeakPolarHBondContact OD2-CG2 3.37Å; D20-T23 PolarHBondContact OD2-N 3.06Å; D20-T23 VanDerWaalsContact OD2-N 3.12Å; D20-T23 PolarHBondContact OD2-OG1 2.62Å; D20-S24 WeakPolarHBondContact O-CB 3.14Å; D20-S24 PolarHBondContact O-N 3.12Å |
| 21 | A | 58.1 | Low | 60.3 | Low | 93 Ų | 93 | 123.7 Ų | 123.7 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -22.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R19 | R19-A21 PolarHBondContact O-N 2.83Š|
| 22 | S | 58.8 | Low | 60.3 | Low | 82 Ų | 82 | 124.9 Ų | 124.9 | 57% | 0.573 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -29.6 | 177.6 | 100.2 | 0 | 0 | 0 | 0 | 113.1 | D20 | D20-S22 VanDerWaalsContact CG-OG 3.3Å; D20-S22 PolarHBondContact O-N 3.11Å; D20-S22 VanDerWaalsContact O-N 3.08Å; D20-S22 VanDerWaalsContact OD1-CB 3.32Å; D20-S22 WeakPolarHBondContact OD1-CB 2.99Å; D20-S22 PolarHBondContact OD1-N 3.36Å; D20-S22 PolarHBondContact OD1-OG 3.07Å; D20-S22 WeakPolarHBondContact OD2-CB 3.15Å; D20-S22 PolarHBondContact OD2-OG 2.88Å |
| 23 | T | 59.1 | Low | 60.5 | Low | 92 Ų | 92 | 123.2 Ų | 123.2 | 56% | 0.564 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -16.2 | -178 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | D20 R25 | D20-T23 WeakPolarHBondContact CB-OG1 3.38Å; D20-T23 PolarHBondContact O-N 3.03Å; D20-T23 PolarHBondContact O-OG1 3.23Å; D20-T23 WeakPolarHBondContact OD2-CB 3.41Å; D20-T23 WeakPolarHBondContact OD2-CG2 3.37Å; D20-T23 PolarHBondContact OD2-N 3.06Å; D20-T23 VanDerWaalsContact OD2-N 3.12Å; D20-T23 PolarHBondContact OD2-OG1 2.62Å; T23-R25 VanDerWaalsContact C-N 3.27Å; T23-R25 PolarHBondContact O-N 2.77Å; T23-R25 VanDerWaalsContact O-N 3.09Å |
| 24 | S | 60.7 | Low | 60.8 | Low | 39 Ų | 39 | 121.3 Ų | 121.3 | 27% | 0.273 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.2 | -9.7 | -170.4 | -178.5 | 0 | 0 | 0 | 0 | 117 | R19 D20 | R19-S24 WeakPolarHBondContact CD-OG 3.32Å; R19-S24 WeakPolarHBondContact CG-OG 3.49Å; R19-S24 PolarHBondContact NE-OG 2.93Å; R19-S24 PolarHBondContact NH1-OG 3.09Å; D20-S24 WeakPolarHBondContact O-CB 3.14Å; D20-S24 PolarHBondContact O-N 3.12Å |
| 25 | R | 64.1 | Low | 60.8 | Low | 230 Ų | 230 | 121.6 Ų | 121.6 | 87% | 0.868 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 22.8 | -178.6 | -65.5 | -164.9 | -61.5 | 171.1 | 0 | 114.8 | T23 F27 | T23-R25 VanDerWaalsContact C-N 3.27Å; T23-R25 PolarHBondContact O-N 2.77Å; T23-R25 VanDerWaalsContact O-N 3.09Å; R25-F27 VanDerWaalsContact C-N 3.32Å; R25-F27 PolarHBondContact O-N 2.96Å; R25-F27 VanDerWaalsContact O-N 3.17Å |
| 26 | R | 67.8 | Low | 61 | Low | 200 Ų | 200 | 121.2 Ų | 121.2 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | | | trans | -87.4 | 82.8 | 166.4 | -71.7 | -175.4 | 176.8 | 155.4 | 0.8 | 108.8 | T28 | R26-T28 PolarHBondContact O-N 3.04Š|
| 27 | F | 62.1 | Low | 61.1 | Low | 178 Ų | 178 | 117.8 Ų | 117.8 | 78% | 0.781 | 65% | 0.652 | S | S | * | * | | | trans | -61.9 | 95.3 | 151.1 | 178 | -101.8 | 0 | 0 | 0 | 106.2 | R25 P29 | R25-F27 VanDerWaalsContact C-N 3.32Å; R25-F27 PolarHBondContact O-N 2.96Å; R25-F27 VanDerWaalsContact O-N 3.17Å; F27-P29 HydrophobicContact CD1-CB 4.42Å; F27-P29 HydrophobicContact CD1-CG 4.47Å; F27-P29 HydrophobicContact CE1-CB 3.72Å; F27-P29 HydrophobicContact CE1-CG 4.15Å; F27-P29 HydrophobicContact CZ-CB 4.16Å; F27-P29 WeakPolarHBondContact O-CD 3.16Å |
| 28 | T | 61.7 | Low | 61.5 | Low | 109 Ų | 109 | 116.4 Ų | 116.4 | 67% | 0.669 | 65% | 0.646 | S | S | * | * | | | trans | -90.7 | 99.1 | 169.6 | -44.5 | 0 | 0 | 0 | 0 | 105.1 | R26 | R26-T28 PolarHBondContact O-N 3.04Š|
| 29 | P | 63.8 | Low | 61.4 | Low | 73 Ų | 73 | 118.6 Ų | 118.6 | 47% | 0.474 | 66% | 0.657 | S | S | . | * | | | trans | -56.3 | 148.6 | 174.7 | 22.9 | -31.2 | 0 | 0 | 0 | 109.2 | F27 S31 | F27-P29 HydrophobicContact CD1-CB 4.42Å; F27-P29 HydrophobicContact CD1-CG 4.47Å; F27-P29 HydrophobicContact CE1-CB 3.72Å; F27-P29 HydrophobicContact CE1-CG 4.15Å; F27-P29 HydrophobicContact CZ-CB 4.16Å; F27-P29 WeakPolarHBondContact O-CD 3.16Å; P29-S31 PolarHBondContact O-N 3.08Å; P29-S31 VanDerWaalsContact O-N 3.15Å |
| 30 | P | 63.2 | Low | 61.6 | Low | 116 Ų | 116 | 114.1 Ų | 114.1 | 75% | 0.753 | 66% | 0.656 | S | S | * | * | | | trans | -52.6 | 125.9 | 177.2 | 22.2 | -32.3 | 0 | 0 | 0 | 109 | T32 | P30-T32 PolarHBondContact O-N 3.22Š|
| 31 | S | 61.6 | Low | 61.9 | Low | 107 Ų | 107 | 118 Ų | 118 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | | | trans | -53.8 | 108.9 | -176.9 | -68.9 | 0 | 0 | 0 | 0 | 110.5 | P29 A33 | P29-S31 PolarHBondContact O-N 3.08Å; P29-S31 VanDerWaalsContact O-N 3.15Å; S31-A33 PolarHBondContact O-N 3.07Å |
| 32 | T | 58.6 | Low | 62.2 | Low | 136 Ų | 136 | 118.1 Ų | 118.1 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | | | trans | -77.8 | 3.9 | 162.2 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | P30 L34 | P30-T32 PolarHBondContact O-N 3.22Å; T32-L34 VanDerWaalsContact C-N 3.3Å; T32-L34 PolarHBondContact O-N 2.78Å |
| 33 | A | 61.3 | Low | 62.3 | Low | 77 Ų | 77 | 120.3 Ų | 120.3 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | | | trans | -66.4 | 91 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | S31 S35 | S31-A33 PolarHBondContact O-N 3.07Å; A33-S35 PolarHBondContact O-N 3.13Å; A33-S35 VanDerWaalsContact O-N 3.14Å |
| 34 | L | 61.5 | Low | 62.3 | Low | 120 Ų | 120 | 121.5 Ų | 121.5 | 63% | 0.628 | 69% | 0.686 | S | S | * | * | | | trans | -50.2 | 117.9 | 151 | -63.6 | 177.4 | 0 | 0 | 0 | 106.6 | T32 K38 | T32-L34 VanDerWaalsContact C-N 3.3Å; T32-L34 PolarHBondContact O-N 2.78Å; L34-K38 HydrophobicContact CB-CD 4.44Å; L34-K38 VanDerWaalsContact CB-NZ 3.27Å; L34-K38 HydrophobicContact CD2-CD 4.17Å |
| 35 | S | 60.8 | Low | 62 | Low | 71 Ų | 71 | 127.7 Ų | 127.7 | 50% | 0.497 | 72% | 0.715 | S | S | . | * | | | trans | -49.3 | 133.1 | 179.6 | 56.8 | 0 | 0 | 0 | 0 | 109.7 | A33 G37 K38 | A33-S35 PolarHBondContact O-N 3.13Å; A33-S35 VanDerWaalsContact O-N 3.14Å; S35-G37 PolarHBondContact O-N 3.17Å; S35-K38 PolarHBondContact O-N 3.37Å |
| 36 | P | 61.8 | Low | 61.7 | Low | 144 Ų | 144 | 119.6 Ų | 119.6 | 94% | 0.935 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 83.5 | 168.4 | -16.3 | 29.4 | 0 | 0 | 0 | 107.8 | | |
| 37 | G | 60.9 | Low | 61 | Low | 43 Ų | 43 | 114.1 Ų | 114.1 | 44% | 0.443 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 163.5 | -27.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S35 M39 S40 | S35-G37 PolarHBondContact O-N 3.17Å; G37-M39 PolarHBondContact O-N 3.22Å; G37-S40 PolarHBondContact O-N 2.94Å; G37-S40 VanDerWaalsContact O-N 3.13Å |
| 38 | K | 62.6 | Low | 60.3 | Low | 130 Ų | 130 | 111 Ų | 111 | 57% | 0.565 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 8.4 | -179.7 | 80.6 | -178.8 | -146.6 | -48.7 | 0 | 115.4 | L34 S35 | L34-K38 HydrophobicContact CB-CD 4.44Å; L34-K38 VanDerWaalsContact CB-NZ 3.27Å; L34-K38 HydrophobicContact CD2-CD 4.17Å; S35-K38 PolarHBondContact O-N 3.37Å |
| 39 | M | 59.1 | Low | 59.9 | Low | 175 Ų | 175 | 113.6 Ų | 113.6 | 86% | 0.862 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | 39.4 | 167.2 | 62.8 | 174.5 | -64 | 0 | 0 | 110.4 | G37 | G37-M39 PolarHBondContact O-N 3.22Š|
| 40 | S | 67 | Low | 59.4 | Low | 105 Ų | 105 | 113.3 Ų | 113.3 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | | | trans | -111.1 | 54 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | G37 | G37-S40 PolarHBondContact O-N 2.94Å; G37-S40 VanDerWaalsContact O-N 3.13Å |
| 41 | E | 64.9 | Low | 59.1 | Low | 159 Ų | 159 | 111.6 Ų | 111.6 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | trans | -115.4 | 99.9 | 155.2 | -168.1 | -178.4 | 169.4 | 0 | 0 | 106.3 | L43 | E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.15Å |
| 42 | A | 65.5 | Low | 58.9 | Low | 94 Ų | 94 | 111.6 Ų | 111.6 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | | | trans | -65.9 | 102.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106 | P44 | A42-P44 WeakPolarHBondContact O-CD 3.45Š|
| 43 | L | 60.2 | Low | 59 | Low | 128 Ų | 128 | 110 Ų | 110 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | | | trans | -53.4 | 124.5 | 163.1 | -76 | 167.6 | 0 | 0 | 0 | 106.4 | E41 L45 | E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.15Å; L43-L45 PolarHBondContact O-N 2.83Å |
| 44 | P | 58.9 | Low | 58.8 | Low | 118 Ų | 118 | 114.3 Ų | 114.3 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | | | trans | -58.2 | 113.6 | 167.6 | 23.6 | -29.3 | 0 | 0 | 0 | 105.5 | A42 G46 | A42-P44 WeakPolarHBondContact O-CD 3.45Å; P44-G46 PolarHBondContact O-N 3.14Å |
| 45 | L | 54.8 | Low | 58.6 | Low | 168 Ų | 168 | 113.6 Ų | 113.6 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | | | trans | -68.8 | 71.1 | 168.7 | -121.5 | 82.1 | 0 | 0 | 0 | 106.7 | L43 A47 | L43-L45 PolarHBondContact O-N 2.83Å; L45-A47 PolarHBondContact O-N 3.31Å |
| 46 | G | 57.4 | Low | 58.6 | Low | 60 Ų | 60 | 115.6 Ų | 115.6 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | | | trans | -61.5 | 111.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | P44 P48 | P44-G46 PolarHBondContact O-N 3.14Å; G46-P48 VanDerWaalsContact O-CD 3.26Å; G46-P48 WeakPolarHBondContact O-CD 3.26Å |
| 47 | A | 53.3 | Low | 58.8 | Low | 85 Ų | 85 | 117.7 Ų | 117.7 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | trans | -48.6 | 127.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L45 | L45-A47 PolarHBondContact O-N 3.31Š|
| 48 | P | 46.7 | Very low | 58.9 | Low | 113 Ų | 113 | 123.8 Ų | 123.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -103.2 | 95.1 | 160.1 | 29.7 | -16.4 | 0 | 0 | 0 | 108.2 | G46 G50 | G46-P48 VanDerWaalsContact O-CD 3.26Å; G46-P48 WeakPolarHBondContact O-CD 3.26Å; P48-G50 PolarHBondContact O-N 3.46Å |
| 49 | D | 53.6 | Low | 58.9 | Low | 163 Ų | 163 | 128.7 Ų | 128.7 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | | | trans | -51.3 | 116.7 | 144.2 | -69.7 | -70.3 | 0 | 0 | 0 | 107.7 | | |
| 50 | G | 53.6 | Low | 59.1 | Low | 67 Ų | 67 | 126.1 Ų | 126.1 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | 136.1 | 85.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P48 | P48-G50 PolarHBondContact O-N 3.46Š|
| 51 | G | 57.1 | Low | 58.9 | Low | 81 Ų | 81 | 124.4 Ų | 124.4 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | -61.7 | 139.6 | 159 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 52 | A | 58.2 | Low | 58.9 | Low | 107 Ų | 107 | 123.6 Ų | 123.6 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | | | trans | 177.3 | -22.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 53 | A | 59.2 | Low | 58.8 | Low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -110.4 | -4.2 | -149.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 54 | L | 57.8 | Low | 59.2 | Low | 169 Ų | 169 | 129.6 Ų | 129.6 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -135.1 | 2.3 | -171.1 | -130.9 | 111.5 | 0 | 0 | 0 | 118.6 | S56 | L54-S56 PolarHBondContact O-N 2.71Š|
| 55 | A | 57.7 | Low | 59.7 | Low | 104 Ų | 104 | 132.2 Ų | 132.2 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -86.5 | 1.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 56 | S | 61.1 | Low | 60.5 | Low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -128.9 | 51.2 | -171.4 | -162 | 0 | 0 | 0 | 0 | 113.5 | L54 | L54-S56 PolarHBondContact O-N 2.71Š|
| 57 | K | 64.6 | Low | 60.7 | Low | 188 Ų | 188 | 136.2 Ų | 136.2 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | | | trans | -140.4 | 38.7 | 162.4 | -68.5 | -170 | -175.5 | -70.1 | 0 | 112.1 | R59 | K57-R59 PolarHBondContact O-N 3.05Š|
| 58 | L | 62.6 | Low | 60.7 | Low | 171 Ų | 171 | 142.1 Ų | 142.1 | 90% | 0.895 | 84% | 0.842 | S | S | * | * | | | trans | -88 | 69.8 | 163 | -58.2 | -174.2 | 0 | 0 | 0 | 108.8 | S60 | L58-S60 PolarHBondContact O-N 3.13Å; L58-S60 VanDerWaalsContact O-N 3.13Å |
| 59 | R | 64.3 | Low | 61.4 | Low | 232 Ų | 232 | 143.6 Ų | 143.6 | 88% | 0.875 | 85% | 0.847 | S | S | * | * | | | trans | -71.6 | 105.3 | 165.1 | 43.5 | 155.9 | -161.3 | -147.2 | 0.1 | 107 | K57 G61 | K57-R59 PolarHBondContact O-N 3.05Å; R59-G61 PolarHBondContact O-N 3.03Å |
| 60 | S | 61.5 | Low | 61.8 | Low | 121 Ų | 121 | 142.5 Ų | 142.5 | 85% | 0.846 | 85% | 0.846 | S | S | * | * | | | trans | -58.8 | 86.2 | 175.3 | -166.9 | 0 | 0 | 0 | 0 | 109.8 | L58 | L58-S60 PolarHBondContact O-N 3.13Å; L58-S60 VanDerWaalsContact O-N 3.13Å |
| 61 | G | 64.1 | Low | 62.3 | Low | 69 Ų | 69 | 146.7 Ų | 146.7 | 71% | 0.711 | 85% | 0.854 | S | S | * | * | | | trans | -103.2 | 78.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | R59 | R59-G61 PolarHBondContact O-N 3.03Š|
| 62 | D | 63.8 | Low | 62.6 | Low | 143 Ų | 143 | 150.6 Ų | 150.6 | 77% | 0.765 | 86% | 0.856 | S | S | * | * | | | trans | -160.5 | 48.2 | 158 | -134.6 | -8.9 | 0 | 0 | 0 | 113.1 | S64 | D62-S64 PolarHBondContact O-N 3.23Š|
| 63 | R | 64.6 | Low | 62.9 | Low | 248 Ų | 248 | 153.3 Ų | 153.3 | 94% | 0.936 | 85% | 0.854 | S | S | * | * | | | trans | -85.6 | 69.9 | 158.6 | -64.1 | -174.4 | -165.1 | 160.9 | 3.9 | 108 | M65 | R63-M65 PolarHBondContact O-N 2.71Š|
| 64 | S | 68.4 | Low | 63.1 | Low | 99 Ų | 99 | 156.8 Ų | 156.8 | 69% | 0.692 | 86% | 0.855 | S | S | * | * | | | trans | -73.9 | 100.2 | 168.9 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | D62 V66 | D62-S64 PolarHBondContact O-N 3.23Å; S64-V66 PolarHBondContact O-N 3.17Å |
| 65 | M | 69.7 | Low | 63.5 | Low | 173 Ų | 173 | 155.9 Ų | 155.9 | 85% | 0.852 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 117.4 | 169.8 | -172.5 | 175.4 | -64.9 | 0 | 0 | 107 | R63 E67 | R63-M65 PolarHBondContact O-N 2.71Å; M65-E67 PolarHBondContact O-N 2.91Å |
| 66 | V | 70.7 | Confident | 64 | Low | 123 Ų | 123 | 159.9 Ų | 159.9 | 75% | 0.745 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 121.6 | 173.8 | 155.8 | 0 | 0 | 0 | 0 | 109.4 | S64 | S64-V66 PolarHBondContact O-N 3.17Š|
| 67 | E | 62.2 | Low | 64.2 | Low | 190 Ų | 190 | 163.8 Ų | 163.8 | 89% | 0.888 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 133.8 | 164.8 | -67.6 | -171.2 | 160.7 | 0 | 0 | 109 | M65 | M65-E67 PolarHBondContact O-N 2.91Š|
| 68 | V | 53.8 | Low | 64.2 | Low | 208 Ų | 208 | 161.5 Ų | 161.5 | 100% | 1.261 | 86% | 0.861 | S | S | * | * | | | trans | -91.8 | 0 | 174.6 | 155.4 | 0 | 0 | 0 | 0 | 109.8 | | |