| 1 | M | 45.5 | Very low | 58.6 | Low | 240 Ų | 240 | 165.6 Ų | 165.6 | 100% | 1.182 | 83% | 0.826 | S | S | * | * | | | | 0 | 113.5 | 0 | -62 | -174.4 | -165.7 | 0 | 0 | 106.3 | | |
| 2 | E | 50.4 | Low | 59.5 | Low | 197 Ų | 197 | 171.3 Ų | 171.3 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | | | trans | -72.1 | 128.4 | -179.9 | -69.2 | -177.4 | 157.8 | 0 | 0 | 109.5 | V4 | E2-V4 PolarHBondContact O-N 2.56Š|
| 3 | T | 56.3 | Low | 60.8 | Low | 128 Ų | 128 | 171.8 Ų | 171.8 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | | | trans | -79.5 | 115.5 | 179.6 | 46.3 | 0 | 0 | 0 | 0 | 109 | Q5 | T3-Q5 PolarHBondContact O-N 3.2Š|
| 4 | V | 62.4 | Low | 61.8 | Low | 132 Ų | 132 | 172.1 Ų | 172.1 | 80% | 0.8 | 84% | 0.837 | S | S | * | * | | | trans | -64.8 | 107.5 | 173.2 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | E2 L6 | E2-V4 PolarHBondContact O-N 2.56Å; V4-L6 PolarHBondContact O-N 3.45Å |
| 5 | Q | 59.6 | Low | 63 | Low | 176 Ų | 176 | 173.8 Ų | 173.8 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | | | trans | -68.5 | 104.5 | 175 | -64.8 | -143.2 | 61.8 | 0 | 0 | 108.9 | T3 R7 | T3-Q5 PolarHBondContact O-N 3.2Å; Q5-R7 PolarHBondContact O-N 3.29Å |
| 6 | L | 60.1 | Low | 64.5 | Low | 156 Ų | 156 | 175.8 Ų | 175.8 | 82% | 0.817 | 84% | 0.842 | S | S | * | * | | | trans | -62.8 | 89.4 | 164.9 | -122.7 | 83.9 | 0 | 0 | 0 | 106.8 | V4 N8 | V4-L6 PolarHBondContact O-N 3.45Å; L6-N8 VanDerWaalsContact C-N 3.35Å; L6-N8 PolarHBondContact O-N 3.4Å |
| 7 | R | 60.5 | Low | 65.7 | Low | 234 Ų | 234 | 169.9 Ų | 169.9 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | -54 | 107.3 | 164.6 | -95.2 | 178.1 | 163.4 | -177.2 | -4.1 | 105.1 | Q5 P9 | Q5-R7 PolarHBondContact O-N 3.29Å; R7-P9 WeakPolarHBondContact O-CD 3.03Å |
| 8 | N | 59 | Low | 67.1 | Low | 129 Ų | 129 | 165.4 Ų | 165.4 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | | | trans | -78.6 | 95 | 176.6 | -156.9 | 39.8 | 0 | 0 | 0 | 105.3 | L6 | L6-N8 VanDerWaalsContact C-N 3.35Å; L6-N8 PolarHBondContact O-N 3.4Å |
| 9 | P | 62.8 | Low | 68.4 | Low | 93 Ų | 93 | 165.5 Ų | 165.5 | 60% | 0.604 | 80% | 0.796 | S | S | * | * | | | trans | -58.8 | 148.6 | 177.1 | 29.8 | -35.7 | 0 | 0 | 0 | 107.5 | R7 R11 | R7-P9 WeakPolarHBondContact O-CD 3.03Å; P9-R11 PolarHBondContact O-N 3.32Å |
| 10 | P | 62.6 | Low | 69.5 | Low | 116 Ų | 116 | 162.8 Ų | 162.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -49.7 | 120.5 | 172.5 | 20.4 | -30.4 | 0 | 0 | 0 | 107.1 | R12 | P10-R12 VanDerWaalsContact C-N 3.3Å; P10-R12 PolarHBondContact O-N 2.84Å |
| 11 | R | 64.9 | Low | 70.3 | Confident | 221 Ų | 221 | 156 Ų | 156 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | trans | -53.2 | 100 | -177.6 | -78.4 | -176.1 | 176.6 | 172.3 | -0.9 | 107 | P9 Q13 | P9-R11 PolarHBondContact O-N 3.32Å; R11-Q13 PolarHBondContact O-N 3.29Å |
| 12 | R | 70.1 | Confident | 72.4 | Confident | 234 Ų | 234 | 150.5 Ų | 150.5 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | | | trans | -61.6 | 104.7 | 175.5 | -80.8 | 178 | 152.2 | 159.5 | -7.6 | 105.1 | P10 L14 | P10-R12 VanDerWaalsContact C-N 3.3Å; P10-R12 PolarHBondContact O-N 2.84Å; R12-L14 PolarHBondContact O-N 3.2Å |
| 13 | Q | 75.9 | Confident | 74.2 | Confident | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 122.1 | 174 | -66.8 | -175.2 | -2.5 | 0 | 0 | 106.7 | R11 K15 | R11-Q13 PolarHBondContact O-N 3.29Å; Q13-K15 PolarHBondContact O-N 3.25Å |
| 14 | L | 74.7 | Confident | 75.8 | Confident | 175 Ų | 175 | 145.7 Ų | 145.7 | 92% | 0.916 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 125.4 | 176.2 | -68.5 | 171.2 | 0 | 0 | 0 | 108.1 | R12 | R12-L14 PolarHBondContact O-N 3.2Š|
| 15 | K | 79.9 | Confident | 77.1 | Confident | 198 Ų | 198 | 145.1 Ų | 145.1 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 140.5 | 173.9 | -65.5 | -178.3 | -179.1 | 179.4 | 0 | 108.5 | Q13 | Q13-K15 PolarHBondContact O-N 3.25Š|
| 16 | K | 86.9 | Confident | 78.3 | Confident | 206 Ų | 206 | 139.8 Ų | 139.8 | 90% | 0.896 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -66 | 136.6 | 168.1 | -65.6 | -175.9 | 179.1 | -176.6 | 0 | 108.2 | | |
| 17 | L | 85.4 | Confident | 79.6 | Confident | 75 Ų | 75 | 138.4 Ų | 138.4 | 39% | 0.393 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -71 | 147.1 | 169 | -67.3 | 173.6 | 0 | 0 | 0 | 109.3 | L22 F30 | L17-L22 HydrophobicContact CB-CD2 4.03Å; L17-L22 HydrophobicContact CB-CG 4.19Å; L17-L22 HydrophobicContact CD1-CD2 3.93Å; L17-F30 HydrophobicContact CD1-CE2 4.49Å; L17-F30 HydrophobicContact CD1-CZ 3.93Å |
| 18 | D | 90.5 | Very high | 80.8 | Confident | 89 Ų | 89 | 133.9 Ų | 133.9 | 48% | 0.476 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 160.5 | 165.9 | 57.8 | -29.6 | 0 | 0 | 0 | 111 | D20 S21 L22 | D18-D20 PolarHBondContact O-N 2.9Å; D18-D20 VanDerWaalsContact C-N 3.26Å; D18-S21 PolarHBondContact O-N 2.95Å; D18-S21 WeakPolarHBondContact OD1-CB 3.49Å; D18-S21 PolarHBondContact OD1-OG 3.2Å; D18-L22 PolarHBondContact O-N 3.29Å |
| 19 | E | 92.4 | Very high | 82.2 | Confident | 167 Ų | 167 | 129.7 Ų | 129.7 | 78% | 0.78 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.3 | -37.4 | -175.8 | -64.4 | -175.7 | 174.4 | 0 | 0 | 112.1 | S21 L22 | E19-S21 PolarHBondContact O-N 2.72Å; E19-L22 WeakPolarHBondContact O-CB 3.38Å; E19-L22 PolarHBondContact O-N 3.4Å |
| 20 | D | 89.8 | Confident | 83.3 | Confident | 111 Ų | 111 | 130.9 Ų | 130.9 | 59% | 0.594 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.8 | -41.8 | 178.3 | -69.1 | -14.2 | 0 | 0 | 0 | 111.9 | D18 L22 T23 | D18-D20 PolarHBondContact O-N 2.9Å; D18-D20 VanDerWaalsContact C-N 3.26Å; D20-L22 VanDerWaalsContact C-N 3.28Å; D20-L22 PolarHBondContact O-N 3.32Å; D20-T23 PolarHBondContact O-N 2.8Å; D20-T23 PolarHBondContact O-OG1 3.49Å |
| 21 | S | 87 | Confident | 84.4 | Confident | 21 Ų | 21 | 132.3 Ų | 132.3 | 15% | 0.147 | 63% | 0.629 | C | S | . | * | H | α-helix | trans | -69.7 | -24.1 | 178.1 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | D18 E19 T23 K24 | D18-S21 PolarHBondContact O-N 2.95Å; D18-S21 WeakPolarHBondContact OD1-CB 3.49Å; D18-S21 PolarHBondContact OD1-OG 3.2Å; E19-S21 PolarHBondContact O-N 2.72Å; S21-T23 PolarHBondContact O-N 3.28Å; S21-K24 PolarHBondContact O-N 3.41Å |
| 22 | L | 88.8 | Confident | 85.2 | Confident | 124 Ų | 124 | 127.5 Ų | 127.5 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.8 | -16.8 | 176.5 | -68.5 | 173.8 | 0 | 0 | 0 | 113.3 | L17 D18 E19 D20 | L17-L22 HydrophobicContact CB-CD2 4.03Å; L17-L22 HydrophobicContact CB-CG 4.19Å; L17-L22 HydrophobicContact CD1-CD2 3.93Å; D18-L22 PolarHBondContact O-N 3.29Å; E19-L22 WeakPolarHBondContact O-CB 3.38Å; E19-L22 PolarHBondContact O-N 3.4Å; D20-L22 VanDerWaalsContact C-N 3.28Å; D20-L22 PolarHBondContact O-N 3.32Å |
| 23 | T | 89.3 | Confident | 85.6 | Confident | 120 Ų | 120 | 122.9 Ų | 122.9 | 74% | 0.736 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -11.3 | 178.8 | 67.1 | 0 | 0 | 0 | 0 | 113.7 | D20 S21 | D20-T23 PolarHBondContact O-N 2.8Å; D20-T23 PolarHBondContact O-OG1 3.49Å; S21-T23 PolarHBondContact O-N 3.28Å |
| 24 | K | 90.1 | Very high | 85.7 | Confident | 105 Ų | 105 | 123.1 Ų | 123.1 | 46% | 0.457 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -90.7 | 161.4 | -176.4 | -67 | 176.9 | -173.1 | 170.6 | 0 | 111.9 | S21 E28 V29 | S21-K24 PolarHBondContact O-N 3.41Å; K24-E28 HydrophobicContact CB-CB 4.45Å; K24-V29 HydrophobicContact CB-CG1 3.89Å; K24-V29 HydrophobicContact CD-CG1 4.03Å |
| 25 | Q | 89.6 | Confident | 85.8 | Confident | 120 Ų | 120 | 122 Ų | 122 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | | | trans | -65.5 | 143 | 173 | -68 | -62.8 | -16.5 | 0 | 0 | 110.2 | E27 E28 V29 | Q25-E27 PolarHBondContact O-N 2.89Å; Q25-E28 HydrophobicContact CB-CG 4.23Å; Q25-E28 PolarHBondContact O-N 3.14Å; Q25-E28 WeakPolarHBondContact O-CB 3.49Å; Q25-V29 WeakPolarHBondContact O-CG2 3.44Å; Q25-V29 PolarHBondContact O-N 2.8Å |
| 26 | P | 83.1 | Confident | 85.4 | Confident | 63 Ų | 63 | 121 Ų | 121 | 41% | 0.409 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -58.8 | -31.2 | -177.8 | 22.7 | -30.8 | 0 | 0 | 0 | 112.6 | E28 V29 F30 | P26-E28 PolarHBondContact O-N 3.17Å; P26-V29 PolarHBondContact O-N 2.87Å; P26-F30 HydrophobicContact CB-CD2 4.05Å; P26-F30 WeakPolarHBondContact O-CA 3.46Å; P26-F30 WeakPolarHBondContact O-CB 3.33Å; P26-F30 WeakPolarHBondContact O-CD2 2.92Å; P26-F30 PolarHBondContact O-N 3.04Å |
| 27 | E | 87.8 | Confident | 84.4 | Confident | 128 Ų | 128 | 113.6 Ų | 113.6 | 60% | 0.598 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.4 | -21.7 | 175.5 | -61 | 77.3 | -169.1 | 0 | 0 | 113.3 | Q25 V32 | Q25-E27 PolarHBondContact O-N 2.89Å; E27-V32 HydrophobicContact CG-CG2 4.42Å |
| 28 | E | 86.9 | Confident | 83.7 | Confident | 139 Ų | 139 | 118 Ų | 118 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -88 | -23.4 | 177.3 | -63.3 | 175.8 | -165.8 | 0 | 0 | 112.7 | K24 Q25 P26 | K24-E28 HydrophobicContact CB-CB 4.45Å; Q25-E28 HydrophobicContact CB-CG 4.23Å; Q25-E28 PolarHBondContact O-N 3.14Å; Q25-E28 WeakPolarHBondContact O-CB 3.49Å; P26-E28 PolarHBondContact O-N 3.17Å |
| 29 | V | 88.4 | Confident | 82.5 | Confident | 41 Ų | 41 | 116.2 Ų | 116.2 | 25% | 0.248 | 61% | 0.612 | C | S | . | * | H | α-helix | trans | -109.6 | -17.4 | -176.7 | -73.5 | 0 | 0 | 0 | 0 | 113.9 | K24 Q25 P26 | K24-V29 HydrophobicContact CB-CG1 3.89Å; K24-V29 HydrophobicContact CD-CG1 4.03Å; Q25-V29 WeakPolarHBondContact O-CG2 3.44Å; Q25-V29 PolarHBondContact O-N 2.8Å; P26-V29 PolarHBondContact O-N 2.87Å |
| 30 | F | 85.1 | Confident | 80.7 | Confident | 117 Ų | 117 | 119.8 Ų | 119.8 | 51% | 0.513 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -120.2 | 139.4 | 177 | -63.1 | -71.7 | 0 | 0 | 0 | 111.5 | L17 P26 V32 | L17-F30 HydrophobicContact CD1-CE2 4.49Å; L17-F30 HydrophobicContact CD1-CZ 3.93Å; P26-F30 HydrophobicContact CB-CD2 4.05Å; P26-F30 WeakPolarHBondContact O-CA 3.46Å; P26-F30 WeakPolarHBondContact O-CB 3.33Å; P26-F30 WeakPolarHBondContact O-CD2 2.92Å; P26-F30 PolarHBondContact O-N 3.04Å; F30-V32 PolarHBondContact O-N 3.01Å |
| 31 | D | 86.1 | Confident | 79.4 | Confident | 146 Ų | 146 | 122.7 Ų | 122.7 | 78% | 0.781 | 63% | 0.626 | S | S | * | * | | | trans | -63.6 | 122.6 | 168.2 | -63.3 | -34.5 | 0 | 0 | 0 | 109.3 | L33 | D31-L33 HydrophobicContact CB-CD2 4.46Å; D31-L33 PolarHBondContact O-N 3.42Å; D31-L33 VanDerWaalsContact O-N 3.14Å |
| 32 | V | 80.4 | Confident | 77.9 | Confident | 120 Ų | 120 | 128.9 Ų | 128.9 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | | | trans | -73.3 | 107.1 | 172.6 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | E27 F30 | E27-V32 HydrophobicContact CG-CG2 4.42Å; F30-V32 PolarHBondContact O-N 3.01Å |
| 33 | L | 79.6 | Confident | 76 | Confident | 138 Ų | 138 | 128.8 Ų | 128.8 | 72% | 0.723 | 66% | 0.662 | S | S | * | * | | | trans | -89.6 | 153.8 | 176.3 | -60 | 178.3 | 0 | 0 | 0 | 110.9 | D31 | D31-L33 HydrophobicContact CB-CD2 4.46Å; D31-L33 PolarHBondContact O-N 3.42Å; D31-L33 VanDerWaalsContact O-N 3.14Å |
| 34 | E | 77.7 | Confident | 74.2 | Confident | 183 Ų | 183 | 131.8 Ų | 131.8 | 86% | 0.855 | 67% | 0.673 | S | S | * | * | | | trans | -57.1 | 145.1 | 173.2 | -68.3 | -177.1 | 178 | 0 | 0 | 111.2 | L36 | E34-L36 PolarHBondContact O-N 3.09Š|
| 35 | K | 77.7 | Confident | 71.8 | Confident | 152 Ų | 152 | 136.8 Ų | 136.8 | 66% | 0.661 | 69% | 0.689 | S | S | * | * | | | trans | -67.2 | 107.8 | -175.7 | -173.6 | 177 | 173.7 | -169.5 | 0 | 110.3 | G37 E38 | K35-G37 VanDerWaalsContact C-N 3.3Å; K35-G37 PolarHBondContact O-N 2.91Å; K35-E38 VanDerWaalsContact NZ-CG 3.31Å; K35-E38 PolarHBondContact NZ-OE1 3.04Å; K35-E38 IonicContact NZ-OE1 2.69Å |
| 36 | L | 71.6 | Confident | 69.6 | Low | 175 Ų | 175 | 138.3 Ų | 138.3 | 92% | 0.916 | 70% | 0.701 | S | S | * | * | | | trans | -78.7 | -8.5 | -179.8 | -63.4 | 176.4 | 0 | 0 | 0 | 114.3 | E34 | E34-L36 PolarHBondContact O-N 3.09Š|
| 37 | G | 65.4 | Low | 68 | Low | 52 Ų | 52 | 138.8 Ų | 138.8 | 54% | 0.536 | 70% | 0.704 | S | S | . | * | | | trans | 162.1 | 179.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K35 | K35-G37 VanDerWaalsContact C-N 3.3Å; K35-G37 PolarHBondContact O-N 2.91Å |
| 38 | E | 70.8 | Confident | 66.3 | Low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | | | trans | -107.8 | 112.5 | 177.2 | -71.1 | 178.9 | 170.1 | 0 | 0 | 109.9 | K35 | K35-E38 VanDerWaalsContact NZ-CG 3.31Å; K35-E38 PolarHBondContact NZ-OE1 3.04Å; K35-E38 IonicContact NZ-OE1 2.69Å |
| 39 | G | 64.7 | Low | 64.6 | Low | 52 Ų | 52 | 140.8 Ų | 140.8 | 54% | 0.536 | 72% | 0.719 | S | S | . | * | | | trans | -75.3 | 147.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K41 | G39-K41 VanDerWaalsContact C-N 3.33Å; G39-K41 PolarHBondContact O-N 2.77Å |
| 40 | W | 55.6 | Low | 62.9 | Low | 242 Ų | 242 | 145.5 Ų | 145.5 | 92% | 0.917 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -79.6 | 1.5 | -164.7 | 64 | -79 | 0 | 0 | 0 | 116.8 | | |
| 41 | K | 61 | Low | 61.1 | Low | 172 Ų | 172 | 148.7 Ų | 148.7 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | 167.7 | 98.7 | 165.3 | -96.4 | 153.1 | -173.1 | -174.9 | 0 | 108.5 | G39 T43 | G39-K41 VanDerWaalsContact C-N 3.33Å; G39-K41 PolarHBondContact O-N 2.77Å; K41-T43 PolarHBondContact O-N 3.45Å |
| 42 | N | 56.2 | Low | 59.3 | Low | 151 Ų | 151 | 145.6 Ų | 145.6 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | | | trans | -88.7 | 92.2 | 170.9 | -68.6 | -9.8 | 0 | 0 | 0 | 108.6 | | |
| 43 | T | 49.3 | Very low | 58 | Low | 122 Ų | 122 | 147.3 Ų | 147.3 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -135.5 | 99.4 | 164.1 | -24.9 | 0 | 0 | 0 | 0 | 108.7 | K41 | K41-T43 PolarHBondContact O-N 3.45Š|
| 44 | L | 51.2 | Low | 56.8 | Low | 183 Ų | 183 | 149.1 Ų | 149.1 | 96% | 0.958 | 76% | 0.756 | S | S | * | * | | | trans | -106.4 | 111.3 | 169.6 | -153 | 82 | 0 | 0 | 0 | 107.3 | | |
| 45 | W | 40.3 | Very low | 55.5 | Low | 210 Ų | 210 | 144.2 Ų | 144.2 | 80% | 0.795 | 76% | 0.755 | S | S | * | * | | | trans | -113.5 | 115.6 | -179.3 | 179.2 | -91.5 | 0 | 0 | 0 | 109.2 | | |
| 46 | N | 42.7 | Very low | 54.3 | Low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -115 | 110 | 171.7 | -167.7 | 12.8 | 0 | 0 | 0 | 110.5 | A48 | N46-A48 PolarHBondContact O-N 2.69Å; N46-A48 VanDerWaalsContact O-N 3.09Å |
| 47 | P | 50.1 | Low | 53.9 | Low | 73 Ų | 73 | 143 Ų | 143 | 47% | 0.474 | 76% | 0.757 | S | S | . | * | | | trans | -85.5 | 73 | -171.4 | 35.8 | -36 | 0 | 0 | 0 | 111.9 | R49 | P47-R49 HydrophobicContact CB-CB 4.17Å; P47-R49 PolarHBondContact O-N 3.34Å |
| 48 | A | 51 | Low | 53.6 | Low | 88 Ų | 88 | 147.3 Ų | 147.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -70.2 | 66.3 | 150.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | N46 N50 | N46-A48 PolarHBondContact O-N 2.69Å; N46-A48 VanDerWaalsContact O-N 3.09Å; A48-N50 VanDerWaalsContact C-N 3.29Å; A48-N50 PolarHBondContact O-N 3.23Å |
| 49 | R | 52.6 | Low | 53.1 | Low | 222 Ų | 222 | 147 Ų | 147 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -76.1 | 80.3 | -169.9 | -170.5 | 179.2 | 174.7 | 134.1 | -0.1 | 108.4 | P47 | P47-R49 HydrophobicContact CB-CB 4.17Å; P47-R49 PolarHBondContact O-N 3.34Å |
| 50 | N | 52.1 | Low | 53 | Low | 140 Ų | 140 | 150.1 Ų | 150.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | -90.6 | 120 | 164.8 | -78 | -46.1 | 0 | 0 | 0 | 109.5 | A48 | A48-N50 VanDerWaalsContact C-N 3.29Å; A48-N50 PolarHBondContact O-N 3.23Å |
| 51 | Q | 46.3 | Very low | 53.2 | Low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | | 170.8 | 111.3 | 129.9 | -93 | 172.9 | 52.6 | 0 | 0 | 107.2 | | |
| 52 | A | 49.6 | Very low | 53.2 | Low | 81 Ų | 81 | 140.5 Ų | 140.5 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | | 97.5 | 129.7 | 72.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 53 | E | 53 | Low | 53.3 | Low | 155 Ų | 155 | 139.2 Ų | 139.2 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | 73.5 | 143.6 | 154.2 | -67.1 | -176.9 | 175.9 | 0 | 0 | 117.4 | | |
| 54 | K | 53.8 | Low | 53.6 | Low | 176 Ų | 176 | 145.3 Ų | 145.3 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | cis | -165.9 | 142.5 | 16.9 | -115.1 | 152.6 | -175.6 | 155.6 | 0 | 107.9 | | |
| 55 | G | 51.4 | Low | 53.7 | Low | 81 Ų | 81 | 143.4 Ų | 143.4 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | 42.3 | 113.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 56 | S | 52.5 | Low | 54.4 | Low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | -120.9 | 92.8 | 146 | -172 | 0 | 0 | 0 | 0 | 108.4 | | |
| 57 | K | 62.4 | Low | 55 | Low | 186 Ų | 186 | 139.2 Ų | 139.2 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | | | trans | -97.3 | 105.7 | 159.7 | -72.8 | 178.9 | -177.4 | 168.9 | 0 | 105.8 | | |
| 58 | N | 59.1 | Low | 55.3 | Low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | | | trans | -139.5 | 79.6 | 156 | -80.2 | -31.2 | 0 | 0 | 0 | 106.4 | T60 | N58-T60 VanDerWaalsContact C-N 3.32Å; N58-T60 PolarHBondContact O-N 3.15Å; N58-T60 VanDerWaalsContact O-N 3.15Å |
| 59 | D | 59.9 | Low | 55.6 | Low | 159 Ų | 159 | 146.6 Ų | 146.6 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | | | trans | -67.2 | 96.1 | 156.5 | -66.5 | -49.9 | 0 | 0 | 0 | 107 | P61 | D59-P61 WeakPolarHBondContact O-CD 3.46Š|
| 60 | T | 62 | Low | 55.8 | Low | 119 Ų | 119 | 141.5 Ų | 141.5 | 73% | 0.73 | 81% | 0.812 | S | S | * | * | | | trans | -98.2 | 107.4 | 165.6 | -43.4 | 0 | 0 | 0 | 0 | 107.1 | N58 A62 | N58-T60 VanDerWaalsContact C-N 3.32Å; N58-T60 PolarHBondContact O-N 3.15Å; N58-T60 VanDerWaalsContact O-N 3.15Å; T60-A62 PolarHBondContact O-N 3.2Å |
| 61 | P | 61.4 | Low | 56.1 | Low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | | | trans | -71 | 115 | 169.7 | 28.4 | -30.5 | 0 | 0 | 0 | 108.1 | D59 V63 | D59-P61 WeakPolarHBondContact O-CD 3.46Å; P61-V63 PolarHBondContact O-N 3.04Å |
| 62 | A | 59.6 | Low | 56.8 | Low | 105 Ų | 105 | 138.4 Ų | 138.4 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | | | trans | -69.7 | 98.4 | 167 | 0 | 0 | 0 | 0 | 0 | 108.2 | T60 | T60-A62 PolarHBondContact O-N 3.2Š|
| 63 | V | 59 | Low | 57.4 | Low | 124 Ų | 124 | 143.2 Ų | 143.2 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | | | trans | -122.2 | 104.2 | 164.5 | -176.7 | 0 | 0 | 0 | 0 | 107.3 | P61 | P61-V63 PolarHBondContact O-N 3.04Š|
| 64 | L | 54.9 | Low | 57.8 | Low | 249 Ų | 249 | 142.1 Ų | 142.1 | 100% | 1.304 | 83% | 0.834 | S | S | * | * | | | trans | -140.7 | 0 | 149.2 | -80.5 | 179.6 | 0 | 0 | 0 | 107.5 | | |