| 1 | M | 46.5 | Very low | 55.4 | Low | 232 Ų | 232 | 149.4 Ų | 149.4 | 100% | 1.143 | 83% | 0.826 | S | S | * | * | | | | 0 | 136.7 | 0 | -60.8 | -169.7 | -73.4 | 0 | 0 | 108.2 | | |
| 2 | P | 53.2 | Low | 55.4 | Low | 131 Ų | 131 | 146.7 Ų | 146.7 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | | | trans | -74.1 | 149.8 | 174.2 | 31.9 | -33.9 | 0 | 0 | 0 | 110.9 | | |
| 3 | I | 54.9 | Low | 55.6 | Low | 160 Ų | 160 | 149.2 Ų | 149.2 | 82% | 0.821 | 81% | 0.812 | S | S | * | * | | | trans | -84.2 | 128.7 | 179.5 | -63.3 | 170.9 | 0 | 0 | 0 | 109.4 | K5 | I3-K5 PolarHBondContact O-N 3.22Š|
| 4 | L | 60.7 | Low | 55.4 | Low | 163 Ų | 163 | 144.9 Ų | 144.9 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -71.7 | 96.3 | 179.2 | -155.1 | 85.2 | 0 | 0 | 0 | 110.2 | Q6 | L4-Q6 PolarHBondContact O-N 3.46Š|
| 5 | K | 64.9 | Low | 55.2 | Low | 183 Ų | 183 | 148.3 Ų | 148.3 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | | | trans | -70.9 | 113.7 | 171.2 | -75.9 | -171.7 | 174.6 | -176.3 | 0 | 109.3 | I3 L7 | I3-K5 PolarHBondContact O-N 3.22Å; K5-L7 PolarHBondContact O-N 3.43Å |
| 6 | Q | 59.9 | Low | 55.6 | Low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -64.1 | 105.6 | 174.4 | -65.2 | 172.4 | -73.5 | 0 | 0 | 110 | L4 T8 | L4-Q6 PolarHBondContact O-N 3.46Å; Q6-T8 PolarHBondContact O-N 2.81Å; Q6-T8 VanDerWaalsContact O-N 3.15Å |
| 7 | L | 56.1 | Low | 56.1 | Low | 164 Ų | 164 | 157.1 Ų | 157.1 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | | | trans | -77.4 | 86.7 | 152.6 | -79.9 | 86.5 | 0 | 0 | 0 | 107.1 | K5 G9 | K5-L7 PolarHBondContact O-N 3.43Å; L7-G9 PolarHBondContact O-N 3.24Å; L7-G9 VanDerWaalsContact O-N 3.14Å |
| 8 | T | 50.8 | Low | 56.5 | Low | 107 Ų | 107 | 154.5 Ų | 154.5 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | | | trans | -50.9 | 119.7 | 160.4 | -60.2 | 0 | 0 | 0 | 0 | 107.4 | Q6 N10 | Q6-T8 PolarHBondContact O-N 2.81Å; Q6-T8 VanDerWaalsContact O-N 3.15Å; T8-N10 PolarHBondContact O-N 2.83Å; T8-N10 PolarHBondContact O-OD1 3.26Å |
| 9 | G | 53 | Low | 57.4 | Low | 70 Ų | 70 | 158.5 Ų | 158.5 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | -61.1 | 102.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L7 S11 | L7-G9 PolarHBondContact O-N 3.24Å; L7-G9 VanDerWaalsContact O-N 3.14Å; G9-S11 PolarHBondContact O-N 2.69Å |
| 10 | N | 52.9 | Low | 58.5 | Low | 139 Ų | 139 | 154.3 Ų | 154.3 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | | | trans | -68.1 | 80 | 172.9 | -74.1 | 93.2 | 0 | 0 | 0 | 109.7 | T8 N12 | T8-N10 PolarHBondContact O-N 2.83Å; T8-N10 PolarHBondContact O-OD1 3.26Å; N10-N12 PolarHBondContact O-N 2.8Å |
| 11 | S | 56.5 | Low | 59.7 | Low | 118 Ų | 118 | 154 Ų | 154 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -69.7 | 64.1 | 174.1 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | G9 | G9-S11 PolarHBondContact O-N 2.69Š|
| 12 | N | 55.5 | Low | 61.7 | Low | 117 Ų | 117 | 148.3 Ų | 148.3 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | | | trans | -132.1 | 20.5 | -169.8 | -82.4 | -78.2 | 0 | 0 | 0 | 112.1 | N10 | N10-N12 PolarHBondContact O-N 2.8Š|
| 13 | Q | 58.5 | Low | 63.5 | Low | 179 Ų | 179 | 145.4 Ų | 145.4 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | | | trans | -121.8 | 36.8 | 178.7 | -66.3 | -63.6 | -7.5 | 0 | 0 | 113.3 | | |
| 14 | S | 51.9 | Low | 65.3 | Low | 89 Ų | 89 | 143.7 Ų | 143.7 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | | | trans | -115.3 | 58.7 | 157.8 | -167 | 0 | 0 | 0 | 0 | 111.4 | R16 | S14-R16 PolarHBondContact O-N 2.67Š|
| 15 | K | 53.1 | Low | 66.8 | Low | 196 Ų | 196 | 144.9 Ų | 144.9 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | | | trans | -75.7 | 13.2 | 155.2 | -70.6 | -173.8 | 179.4 | 179.2 | 0 | 112.5 | R17 | K15-R17 PolarHBondContact O-N 3.05Š|
| 16 | R | 61 | Low | 68.2 | Low | 208 Ų | 208 | 142 Ų | 142 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -54.9 | 111.4 | 149.2 | -62.1 | 177 | 75.3 | -174.6 | 6.5 | 105.1 | S14 S18 | S14-R16 PolarHBondContact O-N 2.67Å; R16-S18 PolarHBondContact O-N 3.03Å; R16-S18 VanDerWaalsContact O-N 3.11Å |
| 17 | R | 64.3 | Low | 69.8 | Low | 238 Ų | 238 | 138.3 Ų | 138.3 | 90% | 0.898 | 73% | 0.725 | S | S | * | * | | | trans | -46.2 | 123.9 | 177.2 | -53.3 | 175.2 | -163.6 | -143.2 | 1.6 | 106.6 | K15 R19 | K15-R17 PolarHBondContact O-N 3.05Å; R17-R19 PolarHBondContact O-N 3.24Å |
| 18 | S | 63.6 | Low | 71.6 | Confident | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | | | trans | -52.9 | 119.2 | 169.9 | 34.7 | 0 | 0 | 0 | 0 | 106.2 | R16 A20 | R16-S18 PolarHBondContact O-N 3.03Å; R16-S18 VanDerWaalsContact O-N 3.11Å; S18-A20 VanDerWaalsContact C-N 3.28Å; S18-A20 PolarHBondContact O-N 3.32Å |
| 19 | R | 73 | Confident | 73.6 | Confident | 230 Ų | 230 | 133 Ų | 133 | 87% | 0.868 | 71% | 0.712 | S | S | * | * | | | trans | -64.1 | 104.4 | 165.5 | -76.1 | 178 | 167.3 | 168.7 | -6.3 | 103 | R17 D21 | R17-R19 PolarHBondContact O-N 3.24Å; R19-D21 PolarHBondContact O-N 3.15Å |
| 20 | A | 79.6 | Confident | 75.5 | Confident | 75 Ų | 75 | 135.4 Ų | 135.4 | 62% | 0.62 | 71% | 0.714 | S | S | * | * | | | trans | -53 | 126.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | S18 L22 | S18-A20 VanDerWaalsContact C-N 3.28Å; S18-A20 PolarHBondContact O-N 3.32Å; A20-L22 PolarHBondContact O-N 3.2Å |
| 21 | D | 84.7 | Confident | 77.4 | Confident | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | | | trans | -60.4 | 110.8 | -171.7 | -60 | -67.2 | 0 | 0 | 0 | 108.6 | R19 T23 | R19-D21 PolarHBondContact O-N 3.15Å; D21-T23 PolarHBondContact O-N 3.44Å |
| 22 | L | 88 | Confident | 79.2 | Confident | 112 Ų | 112 | 132.1 Ų | 132.1 | 59% | 0.586 | 70% | 0.697 | S | S | * | * | | | trans | -75.4 | 98 | -166.6 | -174.8 | 69.5 | 0 | 0 | 0 | 108.8 | A20 M26 I27 | A20-L22 PolarHBondContact O-N 3.2Å; L22-M26 HydrophobicContact CD1-CB 3.58Å; L22-M26 HydrophobicContact CD1-CE 3.92Å; L22-M26 HydrophobicContact CD1-CG 4.46Å; L22-M26 HydrophobicContact CD1-SD 4.15Å; L22-M26 HydrophobicContact CG-CB 4.44Å; L22-I27 HydrophobicContact CD2-CD1 3.91Å; L22-I27 HydrophobicContact CD2-CG1 3.88Å; L22-I27 HydrophobicContact CG-CD1 4.21Å; L22-I27 HydrophobicContact CG-CG1 4Å |
| 23 | T | 90.9 | Very high | 81 | Confident | 71 Ų | 71 | 132.3 Ų | 132.3 | 44% | 0.436 | 70% | 0.698 | S | S | . | * | | | trans | -67.1 | 154.5 | 177 | 69 | 0 | 0 | 0 | 0 | 110.2 | D21 E25 M26 | D21-T23 PolarHBondContact O-N 3.44Å; T23-E25 PolarHBondContact O-N 3.14Å; T23-M26 WeakPolarHBondContact O-CB 3.43Å; T23-M26 PolarHBondContact O-N 2.76Å; T23-M26 WeakPolarHBondContact OG1-CG 3.49Å |
| 24 | V | 92.9 | Very high | 82.5 | Confident | 123 Ų | 123 | 133 Ų | 133 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -59.4 | -32.8 | -180 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | M26 I27 | V24-M26 PolarHBondContact O-N 3.4Å; V24-I27 WeakPolarHBondContact O-CB 3.25Å; V24-I27 PolarHBondContact O-N 2.88Å |
| 25 | E | 91.6 | Very high | 84.4 | Confident | 189 Ų | 189 | 138.1 Ų | 138.1 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -63.4 | -23 | 175.6 | -59.6 | 177 | 169.4 | 0 | 0 | 113.8 | T23 I27 | T23-E25 PolarHBondContact O-N 3.14Å; E25-I27 VanDerWaalsContact C-N 3.28Å |
| 26 | M | 94.9 | Very high | 86.2 | Confident | 121 Ų | 121 | 136.2 Ų | 136.2 | 60% | 0.596 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -83.1 | -4.6 | 174 | -63.5 | 175 | 68.3 | 0 | 0 | 112.8 | L22 T23 V24 | L22-M26 HydrophobicContact CD1-CB 3.58Å; L22-M26 HydrophobicContact CD1-CE 3.92Å; L22-M26 HydrophobicContact CD1-CG 4.46Å; L22-M26 HydrophobicContact CD1-SD 4.15Å; L22-M26 HydrophobicContact CG-CB 4.44Å; T23-M26 WeakPolarHBondContact O-CB 3.43Å; T23-M26 PolarHBondContact O-N 2.76Å; T23-M26 WeakPolarHBondContact OG1-CG 3.49Å; V24-M26 PolarHBondContact O-N 3.4Å |
| 27 | I | 92.3 | Very high | 87.7 | Confident | 99 Ų | 99 | 129.9 Ų | 129.9 | 51% | 0.508 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -106.4 | 106.7 | 179.1 | -54.2 | 177 | 0 | 0 | 0 | 108 | L22 V24 E25 | L22-I27 HydrophobicContact CD2-CD1 3.91Å; L22-I27 HydrophobicContact CD2-CG1 3.88Å; L22-I27 HydrophobicContact CG-CD1 4.21Å; L22-I27 HydrophobicContact CG-CG1 4Å; V24-I27 WeakPolarHBondContact O-CB 3.25Å; V24-I27 PolarHBondContact O-N 2.88Å; E25-I27 VanDerWaalsContact C-N 3.28Å |
| 28 | S | 94.1 | Very high | 89 | Confident | 83 Ų | 83 | 119.9 Ų | 119.9 | 58% | 0.58 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 149.1 | 174.5 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 29 | A | 94.1 | Very high | 90.4 | Very high | 78 Ų | 78 | 119.6 Ų | 119.6 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 158.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L31 | A29-L31 PolarHBondContact O-N 3.31Š|
| 30 | P | 92.8 | Very high | 91.2 | Very high | 120 Ų | 120 | 112.8 Ų | 112.8 | 78% | 0.779 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 126.3 | 178.2 | -26.8 | 35.6 | 0 | 0 | 0 | 112.2 | G32 | P30-G32 PolarHBondContact O-N 3.21Š|
| 31 | L | 93.1 | Very high | 91.6 | Very high | 143 Ų | 143 | 110.1 Ų | 110.1 | 75% | 0.749 | 60% | 0.596 | S | S | * | * | | | trans | -80.7 | 6.9 | -168.7 | -69.1 | 168 | 0 | 0 | 0 | 114.1 | A29 D33 | A29-L31 PolarHBondContact O-N 3.31Å; L31-D33 VanDerWaalsContact C-N 3.29Å |
| 32 | G | 93.1 | Very high | 91.7 | Very high | 45 Ų | 45 | 116 Ų | 116 | 46% | 0.464 | 61% | 0.608 | S | S | . | * | | | trans | 71.8 | 21.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P30 F34 | P30-G32 PolarHBondContact O-N 3.21Å; G32-F34 WeakPolarHBondContact O-CD2 3.22Å; G32-F34 PolarHBondContact O-N 3.33Å |
| 33 | D | 93 | Very high | 91.7 | Very high | 121 Ų | 121 | 114.5 Ų | 114.5 | 65% | 0.647 | 62% | 0.619 | S | S | * | * | | | trans | -73.7 | 42.4 | 178 | 63.9 | -50 | 0 | 0 | 0 | 113 | L31 R35 | L31-D33 VanDerWaalsContact C-N 3.29Å; D33-R35 PolarHBondContact O-N 2.74Å |
| 34 | F | 91.1 | Very high | 91.4 | Very high | 194 Ų | 194 | 114.3 Ų | 114.3 | 85% | 0.851 | 63% | 0.632 | S | S | * | * | | | trans | -63.9 | 101.6 | -177.5 | -68 | -71.1 | 0 | 0 | 0 | 111.6 | G32 | G32-F34 WeakPolarHBondContact O-CD2 3.22Å; G32-F34 PolarHBondContact O-N 3.33Å |
| 35 | R | 91.3 | Very high | 91.3 | Very high | 195 Ų | 195 | 114.2 Ų | 114.2 | 74% | 0.736 | 63% | 0.627 | S | S | * | * | | | trans | -99.8 | 126.7 | 175 | -67.4 | 172.1 | 65.3 | -100.8 | -3.9 | 109.8 | D33 T37 | D33-R35 PolarHBondContact O-N 2.74Å; R35-T37 PolarHBondContact O-N 2.99Å |
| 36 | H | 91.8 | Very high | 91.2 | Very high | 156 Ų | 156 | 107.3 Ų | 107.3 | 72% | 0.722 | 60% | 0.602 | S | S | * | * | | | trans | -71.4 | 100 | 176.2 | -169.9 | 71.5 | 0 | 0 | 0 | 110.1 | M38 | H36-M38 PolarHBondContact CE1-O 2.99Å; H36-M38 PolarHBondContact ND1-O 2.97Å; H36-M38 PolarHBondContact NE2-O 3.17Å |
| 37 | T | 90.8 | Very high | 90.9 | Very high | 76 Ų | 76 | 109.5 Ų | 109.5 | 47% | 0.466 | 61% | 0.609 | S | S | . | * | | | trans | -95.3 | -12.4 | -178.7 | 52 | 0 | 0 | 0 | 0 | 114.1 | R35 G48 D49 | R35-T37 PolarHBondContact O-N 2.99Å; T37-G48 CarbonylContact O-C 3.58Å; T37-G48 VanDerWaalsContact O-CA 3.3Å; T37-G48 WeakPolarHBondContact O-CA 3.36Å; T37-D49 PolarHBondContact O-N 3.38Å |
| 38 | M | 92.1 | Very high | 90.9 | Very high | 27 Ų | 27 | 106.6 Ų | 106.6 | 13% | 0.133 | 60% | 0.603 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -150.4 | 136 | -176.7 | 178.1 | -158.2 | -57.1 | 0 | 0 | 111.7 | H36 V40 F47 D49 T50 F52 L53 | H36-M38 PolarHBondContact CE1-O 2.99Å; H36-M38 PolarHBondContact ND1-O 2.97Å; H36-M38 PolarHBondContact NE2-O 3.17Å; M38-V40 HydrophobicContact CG-CG2 4Å; M38-V40 HydrophobicContact SD-CG2 3.35Å; M38-V40 WeakPolarHBondContact SD-CG2 3.46Å; M38-F47 CarbonylContact C-O 3.54Å; M38-F47 VanDerWaalsContact CA-O 3.27Å; M38-F47 WeakPolarHBondContact CA-O 3.4Å; M38-D49 WeakPolarHBondContact CE-O 3.42Å; M38-T50 HydrophobicContact CE-CG2 3.67Å; M38-T50 HydrophobicContact CG-CG2 4.1Å; M38-T50 HydrophobicContact SD-CG2 4Å; M38-F52 HydrophobicContact CE-CD1 4.28Å; M38-F52 HydrophobicContact CE-CE1 3.29Å; M38-F52 HydrophobicContact CE-CE2 4.16Å; M38-F52 HydrophobicContact CE-CZ 3.22Å; M38-F52 HydrophobicContact SD-CZ 4.34Å; M38-L53 HydrophobicContact CE-CD1 4Å; M38-L53 HydrophobicContact CE-CG 4.35Å; M38-L53 HydrophobicContact SD-CD1 4.13Å |
| 39 | H | 92.8 | Very high | 90.7 | Very high | 106 Ų | 106 | 106.9 Ų | 106.9 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.1 | 160.5 | -178.1 | 79.4 | 0 | 0 | 0 | 110.8 | A46 F47 | H39-A46 WeakPolarHBondContact O-CA 3.48Å; H39-F47 PolarHBondContact N-O 3.01Å; H39-F47 PolarHBondContact O-N 2.97Å |
| 40 | V | 91.2 | Very high | 90.4 | Very high | 86 Ų | 86 | 105.8 Ų | 105.8 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.5 | 116.8 | 168.7 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | M38 A46 | M38-V40 HydrophobicContact CG-CG2 4Å; M38-V40 HydrophobicContact SD-CG2 3.35Å; M38-V40 WeakPolarHBondContact SD-CG2 3.46Å; V40-A46 HydrophobicContact CG2-CB 4.31Å |
| 41 | G | 88.1 | Confident | 90 | Very high | 19 Ų | 19 | 103.6 Ų | 103.6 | 20% | 0.196 | 57% | 0.571 | C | S | . | * | | | trans | -86.9 | 156.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | G43 G44 D45 | G41-G43 VanDerWaalsContact C-N 3.27Å; G41-G43 PolarHBondContact O-N 2.95Å; G41-G44 PolarHBondContact O-N 2.98Å; G41-D45 PolarHBondContact N-O 3.26Å |
| 42 | R | 87.1 | Confident | 89.5 | Confident | 272 Ų | 272 | 102.1 Ų | 102.1 | 100% | 1.026 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 85.9 | 167.2 | -94.7 | -176.8 | 158.4 | 134.5 | -5.9 | 109.9 | | |
| 43 | G | 86.3 | Confident | 88.9 | Confident | 81 Ų | 81 | 103.9 Ų | 103.9 | 84% | 0.835 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158 | -12.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G41 D45 | G41-G43 VanDerWaalsContact C-N 3.27Å; G41-G43 PolarHBondContact O-N 2.95Å; G43-D45 VanDerWaalsContact C-N 3.33Å |
| 44 | G | 86.3 | Confident | 88.1 | Confident | 67 Ų | 67 | 102.6 Ų | 102.6 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 87.1 | 2.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G41 | G41-G44 PolarHBondContact O-N 2.98Š|
| 45 | D | 90 | Very high | 87.1 | Confident | 121 Ų | 121 | 97.5 Ų | 97.5 | 65% | 0.647 | 55% | 0.546 | S | S | * | . | | | trans | -66.3 | 136.4 | 163 | -174.8 | 23.7 | 0 | 0 | 0 | 109.7 | G41 G43 | G41-D45 PolarHBondContact N-O 3.26Å; G43-D45 VanDerWaalsContact C-N 3.33Å |
| 46 | A | 89.4 | Confident | 85.6 | Confident | 44 Ų | 44 | 98.7 Ų | 98.7 | 36% | 0.364 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -146.9 | 127.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | H39 V40 T50 | H39-A46 WeakPolarHBondContact O-CA 3.48Å; V40-A46 HydrophobicContact CG2-CB 4.31Å; A46-T50 HydrophobicContact CB-CG2 4.06Å |
| 47 | F | 88.3 | Confident | 84 | Confident | 166 Ų | 166 | 95 Ų | 95 | 73% | 0.728 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142.9 | -174.9 | -177.5 | -95.7 | 0 | 0 | 0 | 110.7 | M38 H39 | M38-F47 CarbonylContact C-O 3.54Å; M38-F47 VanDerWaalsContact CA-O 3.27Å; M38-F47 WeakPolarHBondContact CA-O 3.4Å; H39-F47 PolarHBondContact N-O 3.01Å; H39-F47 PolarHBondContact O-N 2.97Å |
| 48 | G | 92.3 | Very high | 82.3 | Confident | 38 Ų | 38 | 94.9 Ų | 94.9 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 98.3 | -162.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T37 T50 | T37-G48 CarbonylContact O-C 3.58Å; T37-G48 VanDerWaalsContact O-CA 3.3Å; T37-G48 WeakPolarHBondContact O-CA 3.36Å; G48-T50 PolarHBondContact O-N 3.23Å |
| 49 | D | 90.2 | Very high | 80.6 | Confident | 89 Ų | 89 | 98.2 Ų | 98.2 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | | | trans | -78.9 | 93.9 | -171.6 | -175.6 | 4.6 | 0 | 0 | 0 | 112.4 | T37 M38 S51 F52 | T37-D49 PolarHBondContact O-N 3.38Å; M38-D49 WeakPolarHBondContact CE-O 3.42Å; D49-S51 WeakPolarHBondContact OD1-CB 3.43Å; D49-S51 PolarHBondContact OD1-N 2.67Å; D49-S51 VanDerWaalsContact OD1-N 3.08Å; D49-S51 PolarHBondContact OD1-OG 2.75Å; D49-F52 WeakPolarHBondContact O-CE1 3.5Å |
| 50 | T | 87.1 | Confident | 78.7 | Confident | 56 Ų | 56 | 98 Ų | 98 | 34% | 0.344 | 58% | 0.579 | S | S | . | * | | | trans | -92.9 | 7.8 | 177 | 53.3 | 0 | 0 | 0 | 0 | 114.3 | M38 A46 G48 F52 L53 | M38-T50 HydrophobicContact CE-CG2 3.67Å; M38-T50 HydrophobicContact CG-CG2 4.1Å; M38-T50 HydrophobicContact SD-CG2 4Å; A46-T50 HydrophobicContact CB-CG2 4.06Å; G48-T50 PolarHBondContact O-N 3.23Å; T50-F52 VanDerWaalsContact C-N 3.28Å; T50-F52 PolarHBondContact O-N 2.92Å; T50-L53 HydrophobicContact CG2-CD1 4.32Å; T50-L53 WeakPolarHBondContact O-CB 3.39Å; T50-L53 PolarHBondContact O-N 3.17Å |
| 51 | S | 84.1 | Confident | 76.8 | Confident | 73 Ų | 73 | 99.9 Ų | 99.9 | 51% | 0.51 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -54 | -41 | -175 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | D49 L53 S54 | D49-S51 WeakPolarHBondContact OD1-CB 3.43Å; D49-S51 PolarHBondContact OD1-N 2.67Å; D49-S51 VanDerWaalsContact OD1-N 3.08Å; D49-S51 PolarHBondContact OD1-OG 2.75Å; S51-L53 PolarHBondContact O-N 3.09Å; S51-S54 WeakPolarHBondContact O-CB 3.47Å; S51-S54 PolarHBondContact O-N 3.43Å; S51-S54 VanDerWaalsContact O-N 3.16Å |
| 52 | F | 82.6 | Confident | 75.1 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 49% | 0.491 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.6 | -11.5 | 179.7 | 69.9 | -98.5 | 0 | 0 | 0 | 115 | M38 D49 T50 S55 | M38-F52 HydrophobicContact CE-CD1 4.28Å; M38-F52 HydrophobicContact CE-CE1 3.29Å; M38-F52 HydrophobicContact CE-CE2 4.16Å; M38-F52 HydrophobicContact CE-CZ 3.22Å; M38-F52 HydrophobicContact SD-CZ 4.34Å; D49-F52 WeakPolarHBondContact O-CE1 3.5Å; T50-F52 VanDerWaalsContact C-N 3.28Å; T50-F52 PolarHBondContact O-N 2.92Å; F52-S55 PolarHBondContact O-OG 3.49Å |
| 53 | L | 80.7 | Confident | 72.9 | Confident | 83 Ų | 83 | 103 Ų | 103 | 44% | 0.435 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -82 | -31.4 | 171.9 | -62 | 177.7 | 0 | 0 | 0 | 111.2 | M38 T50 S51 | M38-L53 HydrophobicContact CE-CD1 4Å; M38-L53 HydrophobicContact CE-CG 4.35Å; M38-L53 HydrophobicContact SD-CD1 4.13Å; T50-L53 HydrophobicContact CG2-CD1 4.32Å; T50-L53 WeakPolarHBondContact O-CB 3.39Å; T50-L53 PolarHBondContact O-N 3.17Å; S51-L53 PolarHBondContact O-N 3.09Å |
| 54 | S | 76.5 | Confident | 71 | Confident | 94 Ų | 94 | 104.6 Ų | 104.6 | 66% | 0.657 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.3 | -39.9 | 179.2 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | S51 R56 S57 | S51-S54 WeakPolarHBondContact O-CB 3.47Å; S51-S54 PolarHBondContact O-N 3.43Å; S51-S54 VanDerWaalsContact O-N 3.16Å; S54-R56 PolarHBondContact O-N 3.29Å; S54-R56 VanDerWaalsContact O-N 3.09Å; S54-S57 PolarHBondContact O-N 3.09Å |
| 55 | S | 70.3 | Confident | 68.7 | Low | 87 Ų | 87 | 109 Ų | 109 | 61% | 0.608 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -69.2 | -4.8 | -177.7 | 51.3 | 0 | 0 | 0 | 0 | 115.1 | F52 S57 G58 | F52-S55 PolarHBondContact O-OG 3.49Å; S55-S57 PolarHBondContact O-N 3.34Å; S55-G58 PolarHBondContact O-N 3.17Å |
| 56 | R | 61 | Low | 66.4 | Low | 219 Ų | 219 | 108.8 Ų | 108.8 | 83% | 0.826 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -70.5 | -8.5 | 175 | -80.9 | -174.1 | 168.1 | -103.3 | 0.3 | 114.7 | S54 G58 | S54-R56 PolarHBondContact O-N 3.29Å; S54-R56 VanDerWaalsContact O-N 3.09Å; R56-G58 VanDerWaalsContact C-N 3.32Å |
| 57 | S | 57.2 | Low | 64.2 | Low | 78 Ų | 78 | 115 Ų | 115 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -69.2 | -29.3 | 173.3 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | S54 S55 E59 | S54-S57 PolarHBondContact O-N 3.09Å; S55-S57 PolarHBondContact O-N 3.34Å; S57-E59 PolarHBondContact O-N 3.11Å; S57-E59 VanDerWaalsContact O-N 3.09Å; S57-E59 PolarHBondContact OG-N 3.05Å |
| 58 | G | 54.8 | Low | 61.9 | Low | 74 Ų | 74 | 114.4 Ų | 114.4 | 76% | 0.763 | 63% | 0.628 | S | S | * | * | | | trans | 62.1 | 5.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114 | S55 R56 | S55-G58 PolarHBondContact O-N 3.17Å; R56-G58 VanDerWaalsContact C-N 3.32Å |
| 59 | E | 55.7 | Low | 59.4 | Low | 98 Ų | 98 | 118 Ų | 118 | 46% | 0.458 | 65% | 0.648 | S | S | . | * | | | trans | -91.4 | 131.6 | -175.7 | -168.7 | 173.8 | -165.1 | 0 | 0 | 109.3 | S57 R62 | S57-E59 PolarHBondContact O-N 3.11Å; S57-E59 VanDerWaalsContact O-N 3.09Å; S57-E59 PolarHBondContact OG-N 3.05Å; E59-R62 IonicContact OE1-CZ 3.13Å; E59-R62 IonicContact OE1-NE 2.63Å; E59-R62 PolarHBondContact OE1-NE 3.26Å; E59-R62 IonicContact OE1-NH2 2.67Å; E59-R62 PolarHBondContact OE1-NH2 2.92Å |
| 60 | P | 53.7 | Low | 57 | Low | 100 Ų | 100 | 119.2 Ų | 119.2 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | | | trans | -59.6 | 147.9 | 176.9 | 25.7 | -34.8 | 0 | 0 | 0 | 110.4 | R62 | P60-R62 PolarHBondContact O-N 2.8Š|
| 61 | P | 52.2 | Low | 55.5 | Low | 127 Ų | 127 | 122.6 Ų | 122.6 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | | | trans | -54.2 | 110.2 | 178.8 | -25.7 | 34.6 | 0 | 0 | 0 | 110.9 | E63 | P61-E63 PolarHBondContact O-N 3.19Š|
| 62 | R | 51.7 | Low | 53.3 | Low | 204 Ų | 204 | 122 Ų | 122 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | | | trans | -64.2 | 120.6 | 176.1 | -70.6 | -168.6 | 180 | -147.3 | 1.5 | 108.5 | E59 P60 | E59-R62 IonicContact OE1-CZ 3.13Å; E59-R62 IonicContact OE1-NE 2.63Å; E59-R62 PolarHBondContact OE1-NE 3.26Å; E59-R62 IonicContact OE1-NH2 2.67Å; E59-R62 PolarHBondContact OE1-NH2 2.92Å; P60-R62 PolarHBondContact O-N 2.8Å |
| 63 | E | 41.4 | Very low | 51.8 | Low | 152 Ų | 152 | 123 Ų | 123 | 71% | 0.71 | 71% | 0.709 | S | S | * | * | | | trans | -57.9 | 146.1 | -177.8 | -62.9 | -176.9 | 152.2 | 0 | 0 | 111.4 | P61 H65 | P61-E63 PolarHBondContact O-N 3.19Å; E63-H65 VanDerWaalsContact C-N 3.26Å; E63-H65 PolarHBondContact O-N 3.05Å; E63-H65 IonicContact OE2-CE1 2.75Å |
| 64 | S | 45.5 | Very low | 50.7 | Low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | -75.9 | 75.3 | -177.4 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | T66 | S64-T66 PolarHBondContact O-N 3.16Š|
| 65 | H | 37.5 | Very low | 49.6 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 73% | 0.731 | 73% | 0.734 | S | S | * | * | | | trans | -66.5 | 99.4 | 172.5 | -54.1 | -42.2 | 0 | 0 | 0 | 110 | E63 | E63-H65 VanDerWaalsContact C-N 3.26Å; E63-H65 PolarHBondContact O-N 3.05Å; E63-H65 IonicContact OE2-CE1 2.75Å |
| 66 | T | 43 | Very low | 48.7 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | | | trans | -68 | 130.8 | 173.8 | 45.5 | 0 | 0 | 0 | 0 | 111.1 | S64 | S64-T66 PolarHBondContact O-N 3.16Š|
| 67 | K | 42.8 | Very low | 48.9 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | | | trans | 73.8 | 152 | 165.1 | -58.5 | 162.6 | 162.4 | -150.8 | 0 | 114.3 | | |
| 68 | E | 40 | Very low | 49 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | | | cis | -153.7 | 153.2 | 9.6 | -137.3 | 148.6 | -121 | 0 | 0 | 112.9 | | |
| 69 | S | 39.8 | Very low | 48.9 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | 75.3 | 152 | 156.4 | 82.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 70 | S | 39.2 | Very low | 49 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | 79 | 131.2 | 161.3 | -147.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 71 | P | 55.3 | Low | 48.7 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -95.6 | 144.8 | -176.2 | 36.8 | -34.1 | 0 | 0 | 0 | 114.2 | | |
| 72 | G | 38.8 | Very low | 49 | Very low | 61 Ų | 61 | 139.6 Ų | 139.6 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | | | trans | -160.7 | 103.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | K74 | G72-K74 PolarHBondContact O-N 3.27Š|
| 73 | P | 49.8 | Very low | 49.4 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | | | trans | -77.7 | 91.1 | -176.8 | 31.1 | -34.2 | 0 | 0 | 0 | 111.4 | P75 | P73-P75 WeakPolarHBondContact O-CD 3.19Š|
| 74 | K | 57.8 | Low | 50.1 | Low | 198 Ų | 198 | 139 Ų | 139 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | trans | -87 | 110.8 | 164.3 | -68.4 | -178.4 | -179.7 | 177.6 | 0 | 108.6 | G72 G76 | G72-K74 PolarHBondContact O-N 3.27Å; K74-G76 PolarHBondContact O-N 3.26Å; K74-G76 VanDerWaalsContact O-N 3.16Å |
| 75 | P | 53.8 | Low | 50 | Low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -71.3 | 111.1 | -178.9 | 28 | -33.4 | 0 | 0 | 0 | 110.6 | P73 | P73-P75 WeakPolarHBondContact O-CD 3.19Š|
| 76 | G | 51.2 | Low | 51.1 | Low | 44 Ų | 44 | 141.2 Ų | 141.2 | 45% | 0.454 | 78% | 0.776 | S | S | . | * | | | trans | -65.2 | 137.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110 | K74 L78 S79 | K74-G76 PolarHBondContact O-N 3.26Å; K74-G76 VanDerWaalsContact O-N 3.16Å; G76-L78 PolarHBondContact O-N 3.18Å; G76-S79 WeakPolarHBondContact O-CB 3.35Å; G76-S79 PolarHBondContact O-N 3.2Å; G76-S79 PolarHBondContact O-OG 2.97Å |
| 77 | L | 64.9 | Low | 51.8 | Low | 183 Ų | 183 | 146.5 Ų | 146.5 | 96% | 0.958 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -1.7 | -169 | -84.2 | 163.9 | 0 | 0 | 0 | 116.2 | | |
| 78 | L | 60.3 | Low | 51.9 | Low | 170 Ų | 170 | 143.5 Ų | 143.5 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | -2 | 176.3 | -60.9 | 176.5 | 0 | 0 | 0 | 113.6 | G76 R80 | G76-L78 PolarHBondContact O-N 3.18Å; L78-R80 PolarHBondContact O-N 2.92Å |
| 79 | S | 53.5 | Low | 52.4 | Low | 86 Ų | 86 | 144.4 Ų | 144.4 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | | | trans | -77.6 | 59 | -177.4 | -57.2 | 0 | 0 | 0 | 0 | 113 | G76 T81 | G76-S79 WeakPolarHBondContact O-CB 3.35Å; G76-S79 PolarHBondContact O-N 3.2Å; G76-S79 PolarHBondContact O-OG 2.97Å; S79-T81 PolarHBondContact O-N 2.87Å |
| 80 | R | 56.4 | Low | 52.6 | Low | 205 Ų | 205 | 143.4 Ų | 143.4 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | | | trans | -70.8 | 91.4 | 172.2 | -174.4 | 173.2 | -66.4 | -109.8 | -0.5 | 109.5 | L78 F82 | L78-R80 PolarHBondContact O-N 2.92Å; R80-F82 HydrophobicContact CG-CE2 4.2Å; R80-F82 HydrophobicContact CG-CZ 4.41Å; R80-F82 WeakPolarHBondContact O-CD2 3.02Å; R80-F82 PolarHBondContact O-N 3.24Å |
| 81 | T | 48.5 | Very low | 53 | Low | 124 Ų | 124 | 143.1 Ų | 143.1 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | | | trans | -65.1 | 93.3 | 177.7 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | S79 R83 | S79-T81 PolarHBondContact O-N 2.87Å; T81-R83 PolarHBondContact O-N 3.01Å |
| 82 | F | 57.9 | Low | 52.9 | Low | 180 Ų | 180 | 144.6 Ų | 144.6 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | | | trans | -64.3 | 100.8 | 165.7 | -75.6 | -79.2 | 0 | 0 | 0 | 108.8 | R80 S84 | R80-F82 HydrophobicContact CG-CE2 4.2Å; R80-F82 HydrophobicContact CG-CZ 4.41Å; R80-F82 WeakPolarHBondContact O-CD2 3.02Å; R80-F82 PolarHBondContact O-N 3.24Å; F82-S84 PolarHBondContact O-N 2.83Å |
| 83 | R | 60.5 | Low | 53.3 | Low | 236 Ų | 236 | 152.4 Ų | 152.4 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | | | trans | -50.2 | 132 | 167.2 | -78.3 | 173.9 | 157.9 | -107.1 | 0.2 | 108.4 | T81 S85 | T81-R83 PolarHBondContact O-N 3.01Å; R83-S85 PolarHBondContact O-N 3.16Å |
| 84 | S | 54.9 | Low | 53.2 | Low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -59 | 100.9 | -173.4 | 36.6 | 0 | 0 | 0 | 0 | 111.9 | F82 K86 | F82-S84 PolarHBondContact O-N 2.83Å; S84-K86 VanDerWaalsContact C-N 3.26Å; S84-K86 PolarHBondContact O-N 2.97Å |
| 85 | S | 44.1 | Very low | 52.3 | Low | 113 Ų | 113 | 150.1 Ų | 150.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -74.2 | 78.2 | 179.1 | -167.6 | 0 | 0 | 0 | 0 | 110.9 | R83 R87 | R83-S85 PolarHBondContact O-N 3.16Å; S85-R87 PolarHBondContact O-N 2.87Å |
| 86 | K | 60.9 | Low | 51.6 | Low | 206 Ų | 206 | 151.3 Ų | 151.3 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | | | trans | -72.3 | 56 | 172.5 | -77.1 | -168.9 | 171.1 | -174.5 | 0 | 111.8 | S84 | S84-K86 VanDerWaalsContact C-N 3.26Å; S84-K86 PolarHBondContact O-N 2.97Å |
| 87 | R | 57.1 | Low | 51.1 | Low | 230 Ų | 230 | 157.9 Ų | 157.9 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | | | trans | -154.7 | 75.4 | 168.1 | -159.5 | 173.6 | -176.4 | 172.8 | 0.8 | 114.6 | S85 | S85-R87 PolarHBondContact O-N 2.87Š|
| 88 | S | 45.7 | Very low | 49.8 | Very low | 111 Ų | 111 | 157.8 Ų | 157.8 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -156.5 | 85.8 | 133.9 | -161.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 89 | Q | 49.2 | Very low | 49.2 | Very low | 172 Ų | 172 | 155.2 Ų | 155.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -83.1 | 108 | 151.4 | -83 | -75.3 | -20.5 | 0 | 0 | 105.5 | V91 | Q89-V91 VanDerWaalsContact C-N 3.28Å; Q89-V91 HydrophobicContact CB-CG2 4.17Å; Q89-V91 PolarHBondContact O-N 3.45Å |
| 90 | S | 45.4 | Very low | 48.8 | Very low | 94 Ų | 94 | 156.4 Ų | 156.4 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | trans | -73.5 | 86.2 | 171.3 | 53.9 | 0 | 0 | 0 | 0 | 108.6 | N92 | S90-N92 VanDerWaalsContact C-N 3.31Å; S90-N92 PolarHBondContact O-N 3.43Å |
| 91 | V | 47.1 | Very low | 48.5 | Very low | 106 Ų | 106 | 152.5 Ų | 152.5 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | | | trans | -72.9 | 84.7 | -176.9 | -178.2 | 0 | 0 | 0 | 0 | 110 | Q89 R93 | Q89-V91 VanDerWaalsContact C-N 3.28Å; Q89-V91 HydrophobicContact CB-CG2 4.17Å; Q89-V91 PolarHBondContact O-N 3.45Å; V91-R93 HydrophobicContact CG1-CB 4.03Å; V91-R93 PolarHBondContact O-N 2.85Å |
| 92 | N | 52.9 | Low | 48.8 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -78.4 | 70.1 | 162.7 | -73.6 | -2.2 | 0 | 0 | 0 | 109.2 | S90 | S90-N92 VanDerWaalsContact C-N 3.31Å; S90-N92 PolarHBondContact O-N 3.43Å |
| 93 | R | 48.2 | Very low | 48.3 | Very low | 225 Ų | 225 | 151.4 Ų | 151.4 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | | | trans | -138.2 | 97 | 163.5 | -77.9 | -166.6 | 171.3 | 97.6 | 0.4 | 108.4 | V91 | V91-R93 HydrophobicContact CG1-CB 4.03Å; V91-R93 PolarHBondContact O-N 2.85Å |
| 94 | V | 48 | Very low | 47.8 | Very low | 144 Ų | 144 | 145 Ų | 145 | 87% | 0.873 | 77% | 0.771 | S | S | * | * | | | trans | -105.9 | 168.6 | 157 | 100.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 95 | D | 38.9 | Very low | 47.6 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | -74.8 | 166.4 | -146.6 | -88.1 | -72.5 | 0 | 0 | 0 | 119.6 | | |
| 96 | K | 38.2 | Very low | 47.7 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | | | trans | -63.4 | 168.2 | 166 | -36.8 | 157.7 | -167.4 | 163.7 | 0 | 109.4 | | |
| 97 | Y | 41.1 | Very low | 47.2 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | | | cis | -142 | 140.6 | 13.1 | -60.2 | -102.7 | 0 | 0 | 0 | 109.5 | | |
| 98 | E | 36.5 | Very low | 46.6 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | | | | -157.2 | 153.6 | 124.8 | -100.2 | -47.2 | 155.3 | 0 | 0 | 108.5 | | |
| 99 | T | 47.3 | Very low | 47.4 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | | | trans | -132.9 | 131.2 | 178.7 | -14.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 100 | P | 46.7 | Very low | 47.9 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | | -143.2 | 154.1 | 92 | 37.7 | -23.7 | 0 | 0 | 0 | 115.5 | | |
| 101 | T | 49.2 | Very low | 47.9 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | 42.9 | 102.2 | 150.5 | 56.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 102 | L | 54.6 | Low | 48.2 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -62.8 | 157.3 | 145.2 | -64.8 | 174.5 | 0 | 0 | 0 | 109.9 | | |
| 103 | P | 47.6 | Very low | 47.8 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | | -119.5 | 148.6 | 103.1 | 34 | -34.8 | 0 | 0 | 0 | 113.5 | A105 | P103-A105 PolarHBondContact O-N 2.61Š|
| 104 | S | 51.4 | Low | 47.6 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -64.2 | 114.6 | 169.3 | 157.2 | 0 | 0 | 0 | 0 | 110.6 | A106 | S104-A106 VanDerWaalsContact C-N 3.32Å; S104-A106 PolarHBondContact OG-N 3.08Å |
| 105 | A | 49.7 | Very low | 47.5 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | | | trans | -96.3 | 39.2 | 169 | 0 | 0 | 0 | 0 | 0 | 112.4 | P103 | P103-A105 PolarHBondContact O-N 2.61Š|
| 106 | A | 46.1 | Very low | 47.7 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 57% | 0.57 | 76% | 0.756 | S | S | * | * | | | trans | -64.5 | 132.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S104 | S104-A106 VanDerWaalsContact C-N 3.32Å; S104-A106 PolarHBondContact OG-N 3.08Å |
| 107 | T | 50.4 | Low | 48.1 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | trans | 38 | 102.3 | 161.8 | 54.2 | 0 | 0 | 0 | 0 | 116.7 | L109 | T107-L109 PolarHBondContact O-N 3.06Š|
| 108 | S | 45.3 | Very low | 48.5 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | | | trans | -67.7 | 75.7 | 167.6 | 59 | 0 | 0 | 0 | 0 | 111.9 | | |
| 109 | L | 61.8 | Low | 48.8 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 71% | 0.707 | 77% | 0.768 | S | S | * | * | | | trans | -67.6 | 134.2 | 165.8 | -63 | 176.8 | 0 | 0 | 0 | 108.6 | T107 Y111 | T107-L109 PolarHBondContact O-N 3.06Å; L109-Y111 PolarHBondContact O-N 3.06Å |
| 110 | P | 59.6 | Low | 48.6 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -66.2 | 104.2 | 172.9 | 26.9 | -32.6 | 0 | 0 | 0 | 109 | L112 | P110-L112 PolarHBondContact O-N 2.98Š|
| 111 | Y | 46.5 | Very low | 48.8 | Very low | 220 Ų | 220 | 129.1 Ų | 129.1 | 86% | 0.863 | 77% | 0.771 | S | S | * | * | | | trans | -71.3 | 97.4 | -175.2 | -159.4 | -86.5 | 0 | 0 | 0 | 110 | L109 N113 | L109-Y111 PolarHBondContact O-N 3.06Å; Y111-N113 HydrophobicContact CD1-CB 4.04Å; Y111-N113 HydrophobicContact CE1-CB 4.27Å; Y111-N113 PolarHBondContact O-N 2.83Å |
| 112 | L | 53 | Low | 48.7 | Very low | 160 Ų | 160 | 132 Ų | 132 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -80.8 | 64.6 | -168.5 | -145.3 | 172.5 | 0 | 0 | 0 | 111.6 | P110 A114 | P110-L112 PolarHBondContact O-N 2.98Å; L112-A114 HydrophobicContact CD2-CB 4.27Å |
| 113 | N | 44.1 | Very low | 48.8 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | trans | -87.9 | 113.1 | 172 | -176.8 | 42.8 | 0 | 0 | 0 | 110 | Y111 | Y111-N113 HydrophobicContact CD1-CB 4.04Å; Y111-N113 HydrophobicContact CE1-CB 4.27Å; Y111-N113 PolarHBondContact O-N 2.83Å |
| 114 | A | 42.7 | Very low | 49.2 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -135.5 | 69.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L112 | L112-A114 HydrophobicContact CD2-CB 4.27Š|
| 115 | E | 47.5 | Very low | 48.8 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | -133 | 72.8 | 175.4 | -168.1 | 60.5 | -91.4 | 0 | 0 | 111.3 | | |
| 116 | S | 43.3 | Very low | 48.6 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -160.1 | 96.4 | 160.7 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 117 | S | 45.7 | Very low | 48.6 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | | | trans | 20.2 | 112.1 | 147.1 | 60.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 118 | N | 48.7 | Very low | 48.2 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | 49.5 | 94 | 143.1 | -59.8 | -47.1 | 0 | 0 | 0 | 119.2 | | |
| 119 | M | 44 | Very low | 48 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 96% | 0.961 | 80% | 0.801 | S | S | * | * | | | trans | -154.5 | 135.8 | 131.5 | -86.1 | -45.8 | 151.5 | 0 | 0 | 112.7 | | |
| 120 | G | 42.7 | Very low | 46.8 | Very low | 68 Ų | 68 | 138.3 Ų | 138.3 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | 45.7 | 105.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 121 | N | 50.8 | Low | 46.4 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | 24.4 | 109.4 | 138.3 | -54.1 | -5.5 | 0 | 0 | 0 | 119.4 | | |
| 122 | Q | 47.6 | Very low | 46.1 | Very low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | | -167.7 | 141.9 | 114 | -78.2 | -41.4 | 9.9 | 0 | 0 | 112.1 | | |
| 123 | L | 57 | Low | 45.8 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -113.9 | 110 | 175.7 | -80.9 | 162 | 0 | 0 | 0 | 111.7 | K125 | L123-K125 VanDerWaalsContact C-N 3.32Å; L123-K125 PolarHBondContact O-N 3.03Å |
| 124 | P | 54.5 | Low | 45.9 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | trans | -80.7 | 76.7 | 172.2 | 32.3 | -33.2 | 0 | 0 | 0 | 112.2 | | |
| 125 | K | 43.8 | Very low | 45.9 | Very low | 194 Ų | 194 | 142 Ų | 142 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | 20.2 | 112 | 147.7 | -57.1 | 170.8 | -172.8 | 173.6 | 0 | 117.9 | L123 | L123-K125 VanDerWaalsContact C-N 3.32Å; L123-K125 PolarHBondContact O-N 3.03Å |
| 126 | S | 46.2 | Very low | 45.9 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -61.4 | 135.4 | 169.8 | -41.8 | 0 | 0 | 0 | 0 | 113.2 | S128 | S126-S128 PolarHBondContact O-N 3.44Š|
| 127 | V | 46.3 | Very low | 45.6 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | | | trans | -84 | 83.8 | 172.2 | -75.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 128 | S | 42.3 | Very low | 45.5 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | | | trans | -89.8 | 100.3 | 171.9 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | S126 S130 | S126-S128 PolarHBondContact O-N 3.44Å; S128-S130 PolarHBondContact O-N 3.47Å |
| 129 | S | 40.3 | Very low | 45.5 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -94.3 | 79.7 | 178.3 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 130 | S | 37.3 | Very low | 45.7 | Very low | 82 Ų | 82 | 142.1 Ų | 142.1 | 57% | 0.573 | 81% | 0.809 | S | S | * | * | | | trans | -87 | 123.1 | 171.3 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | S128 M132 | S128-S130 PolarHBondContact O-N 3.47Å; S130-M132 PolarHBondContact O-N 2.65Å |
| 131 | P | 49.4 | Very low | 45.8 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -75.2 | 119.4 | -178.8 | 29.9 | -33.4 | 0 | 0 | 0 | 110.8 | | |
| 132 | M | 41.9 | Very low | 45.7 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | | | trans | -109.1 | 147.9 | 176.9 | 45.2 | -168.1 | 70 | 0 | 0 | 112.5 | S130 | S130-M132 PolarHBondContact O-N 2.65Š|
| 133 | K | 46.3 | Very low | 45.4 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | | | trans | -68.8 | 139.5 | -163.1 | -57.1 | 173.5 | 179.4 | 179.9 | 0 | 112.7 | | |
| 134 | T | 45.3 | Very low | 44.6 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | | | trans | -115.1 | 121.7 | 150.9 | 43.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 135 | L | 43.4 | Very low | 44.1 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | | | trans | -88.8 | 113.7 | 170.2 | 171.3 | 66.5 | 0 | 0 | 0 | 107.6 | | |
| 136 | V | 47.1 | Very low | 44 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | | | trans | -132.7 | 130.8 | 162.5 | -176.1 | 0 | 0 | 0 | 0 | 107 | | |
| 137 | E | 37.7 | Very low | 43.8 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -102.8 | 124.9 | -170.5 | -177.6 | 171.6 | 178.7 | 0 | 0 | 111 | | |
| 138 | S | 43.2 | Very low | 43.6 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -143.5 | 125 | 164.2 | 53.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 139 | K | 47.7 | Very low | 43.6 | Very low | 194 Ų | 194 | 133.1 Ų | 133.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -84.6 | 145.8 | -179.9 | -163 | 62.7 | -178.5 | 178.7 | 0 | 108.8 | | |
| 140 | P | 48.6 | Very low | 43.8 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | | | trans | -84.9 | 166.5 | -157 | 33.7 | -38.5 | 0 | 0 | 0 | 114.9 | | |
| 141 | M | 45.8 | Very low | 43.8 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -105 | 140.7 | 162.7 | -175.4 | 57.5 | 69.5 | 0 | 0 | 109.7 | | |
| 142 | N | 47.5 | Very low | 43.9 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | | | trans | -70.9 | 152.5 | 177.4 | -68.6 | -22.6 | 0 | 0 | 0 | 111.9 | | |
| 143 | G | 41.9 | Very low | 44.2 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | 171.1 | 82.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 144 | G | 40.2 | Very low | 44.3 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | 76 | 160.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 145 | A | 43.8 | Very low | 44.4 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | | | cis | -142.4 | 144.1 | -11.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 146 | A | 42.9 | Very low | 45 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -100.5 | 137.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 147 | M | 40.9 | Very low | 45.2 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | | | trans | 59.6 | 128.9 | 163.1 | -38.2 | -47.3 | -88.3 | 0 | 0 | 118.2 | | |
| 148 | A | 41.1 | Very low | 46 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | | | trans | -86.2 | 165.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 149 | T | 44.1 | Very low | 45.9 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | 62.5 | 112.7 | 177.3 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 150 | M | 43.4 | Very low | 46 | Very low | 171 Ų | 171 | 131 Ų | 131 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | S | Bend | | -140.1 | 159.9 | 63.3 | -66 | -60.8 | 167.7 | 0 | 0 | 114.2 | | |
| 151 | D | 38.3 | Very low | 45.9 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | | | trans | 40.7 | 111.7 | 152.7 | -154.4 | 21.9 | 0 | 0 | 0 | 119.6 | L154 | D151-L154 WeakPolarHBondContact OD2-CD1 3.36Š|
| 152 | A | 50.7 | Low | 46.1 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -100.5 | 5.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 153 | E | 49.3 | Very low | 46.2 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -109.4 | 0.4 | -174.6 | -67.6 | -166.7 | 138.1 | 0 | 0 | 115.2 | | |
| 154 | L | 47.8 | Very low | 46.7 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 63% | 0.628 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -113.7 | -10.2 | -167.3 | -66.8 | -178.9 | 0 | 0 | 0 | 117.7 | D151 | D151-L154 WeakPolarHBondContact OD2-CD1 3.36Š|
| 155 | D | 48 | Very low | 47.3 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 54% | 0.54 | 76% | 0.76 | S | S | . | * | | | trans | -101.8 | 6.2 | -175.9 | -159.8 | 43.1 | 0 | 0 | 0 | 115.4 | R157 | D155-R157 PolarHBondContact O-N 2.65Š|
| 156 | E | 54.8 | Low | 47.6 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 6.6 | 179.4 | -63.5 | -158.6 | 143.1 | 0 | 0 | 115.1 | | |
| 157 | R | 51 | Low | 48.2 | Very low | 216 Ų | 216 | 140.7 Ų | 140.7 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | 19.1 | -172.7 | -73.8 | -174.8 | -81.6 | 131.6 | -4.9 | 115.2 | D155 | D155-R157 PolarHBondContact O-N 2.65Š|
| 158 | N | 54.4 | Low | 48.6 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -133.4 | 1.6 | 173.1 | -105.7 | -42.7 | 0 | 0 | 0 | 116.5 | | |
| 159 | F | 42.8 | Very low | 49 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -87.2 | 134.1 | 172.3 | -77.3 | -85.6 | 0 | 0 | 0 | 111.7 | | |
| 160 | G | 48.1 | Very low | 49.5 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 167.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 161 | E | 47.8 | Very low | 49.8 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 135.6 | -171.3 | -149.1 | -179.3 | -170.1 | 0 | 0 | 113.3 | K163 | E161-K163 HydrophobicContact CG-CD 4.15Å; E161-K163 HydrophobicContact CG-CG 4.34Å; E161-K163 PolarHBondContact O-N 3.14Å; E161-K163 WeakPolarHBondContact OE1-CE 3.46Å; E161-K163 IonicContact OE1-NZ 2.67Å; E161-K163 PolarHBondContact OE1-NZ 2.97Å; E161-K163 WeakPolarHBondContact OE2-CD 3.4Å; E161-K163 VanDerWaalsContact OE2-CE 3.25Å; E161-K163 WeakPolarHBondContact OE2-CE 3.36Å; E161-K163 IonicContact OE2-NZ 2.69Å; E161-K163 PolarHBondContact OE2-NZ 2.99Å |
| 162 | L | 50 | Low | 50.6 | Low | 164 Ų | 164 | 141.3 Ų | 141.3 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 58.5 | -164.8 | -149.3 | 171.9 | 0 | 0 | 0 | 112.9 | | |
| 163 | K | 48.8 | Very low | 50.4 | Low | 137 Ų | 137 | 139.5 Ų | 139.5 | 60% | 0.596 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | -30.7 | -166 | -69.4 | -176.8 | 178.3 | 164.5 | 0 | 116.6 | E161 L165 | E161-K163 HydrophobicContact CG-CD 4.15Å; E161-K163 HydrophobicContact CG-CG 4.34Å; E161-K163 PolarHBondContact O-N 3.14Å; E161-K163 WeakPolarHBondContact OE1-CE 3.46Å; E161-K163 IonicContact OE1-NZ 2.67Å; E161-K163 PolarHBondContact OE1-NZ 2.97Å; E161-K163 WeakPolarHBondContact OE2-CD 3.4Å; E161-K163 VanDerWaalsContact OE2-CE 3.25Å; E161-K163 WeakPolarHBondContact OE2-CE 3.36Å; E161-K163 IonicContact OE2-NZ 2.69Å; E161-K163 PolarHBondContact OE2-NZ 2.99Å; K163-L165 PolarHBondContact O-N 3.09Å |
| 164 | D | 52.7 | Low | 50.5 | Low | 160 Ų | 160 | 134.9 Ų | 134.9 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | | | trans | -102.7 | 66.7 | -171.5 | -74 | -31.8 | 0 | 0 | 0 | 113.8 | | |
| 165 | L | 52.3 | Low | 50.9 | Low | 149 Ų | 149 | 137.7 Ų | 137.7 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | -118.5 | 127.3 | 164.3 | -71.1 | 178.2 | 0 | 0 | 0 | 110.7 | K163 | K163-L165 PolarHBondContact O-N 3.09Š|
| 166 | P | 51 | Low | 51.5 | Low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -71.4 | 144.7 | -180 | 29.4 | -34.5 | 0 | 0 | 0 | 111.6 | S168 | P166-S168 PolarHBondContact O-N 2.89Š|
| 167 | P | 55.8 | Low | 51.6 | Low | 124 Ų | 124 | 142.7 Ų | 142.7 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | trans | -66.8 | 127.6 | -173.6 | 25.8 | -34.5 | 0 | 0 | 0 | 112.7 | M169 | P167-M169 PolarHBondContact O-N 2.92Š|
| 168 | S | 48.4 | Very low | 51.6 | Low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -71.9 | 109.4 | 179.3 | 58 | 0 | 0 | 0 | 0 | 112 | P166 | P166-S168 PolarHBondContact O-N 2.89Š|
| 169 | M | 49.4 | Very low | 51.8 | Low | 168 Ų | 168 | 138.6 Ų | 138.6 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | | | trans | -68.1 | 130 | 175.5 | -73.4 | -73.5 | -78 | 0 | 0 | 111.7 | P167 K171 | P167-M169 PolarHBondContact O-N 2.92Å; M169-K171 VanDerWaalsContact C-N 3.34Å; M169-K171 PolarHBondContact O-N 3.39Å |
| 170 | P | 53.7 | Low | 52.3 | Low | 124 Ų | 124 | 133.1 Ų | 133.1 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | trans | -75.7 | 81.3 | 179.7 | 31.2 | -35.3 | 0 | 0 | 0 | 111.2 | G172 | P170-G172 PolarHBondContact O-N 3.2Š|
| 171 | K | 50.8 | Low | 52.9 | Low | 198 Ų | 198 | 136.8 Ų | 136.8 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -77.6 | 83.8 | 178.3 | -161.5 | 80.4 | 175.7 | -169.9 | 0 | 110.5 | M169 G173 | M169-K171 VanDerWaalsContact C-N 3.34Å; M169-K171 PolarHBondContact O-N 3.39Å; K171-G173 PolarHBondContact O-N 2.82Å; K171-G173 VanDerWaalsContact O-N 3.09Å |
| 172 | G | 53.8 | Low | 53.4 | Low | 81 Ų | 81 | 136.8 Ų | 136.8 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | -52 | 115.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P170 | P170-G172 PolarHBondContact O-N 3.2Š|
| 173 | G | 46.9 | Very low | 53.8 | Low | 63 Ų | 63 | 132.9 Ų | 132.9 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | trans | -157.1 | 78.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | K171 M175 | K171-G173 PolarHBondContact O-N 2.82Å; K171-G173 VanDerWaalsContact O-N 3.09Å; G173-M175 PolarHBondContact O-N 2.81Å; G173-M175 VanDerWaalsContact O-N 3.14Å |
| 174 | G | 51.9 | Low | 54.3 | Low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -52.7 | 118.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K176 | G174-K176 PolarHBondContact O-N 2.85Š|
| 175 | M | 55.7 | Low | 55 | Low | 178 Ų | 178 | 134.7 Ų | 134.7 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | | | trans | -65.4 | 97.6 | 174.3 | -69.2 | 169 | 65.6 | 0 | 0 | 108.5 | G173 K177 | G173-M175 PolarHBondContact O-N 2.81Å; G173-M175 VanDerWaalsContact O-N 3.14Å; M175-K177 PolarHBondContact O-N 2.94Å |
| 176 | K | 61.1 | Low | 55.9 | Low | 196 Ų | 196 | 133.6 Ų | 133.6 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | | | trans | -63.4 | 102.2 | 177 | 31 | 177.9 | 166.6 | -70 | 0 | 108.9 | G174 A178 | G174-K176 PolarHBondContact O-N 2.85Å; K176-A178 PolarHBondContact O-N 2.96Å |
| 177 | K | 56.2 | Low | 57.1 | Low | 191 Ų | 191 | 134 Ų | 134 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | | | trans | 13 | 96.2 | 176.7 | -65.3 | -173 | 178.3 | -173.7 | 0 | 114.3 | M175 E179 | M175-K177 PolarHBondContact O-N 2.94Å; K177-E179 PolarHBondContact O-N 3.25Å; K177-E179 VanDerWaalsContact O-N 3.1Å |
| 178 | A | 51.9 | Low | 58.1 | Low | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | | | trans | -63.1 | 109.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | K176 S180 | K176-A178 PolarHBondContact O-N 2.96Å; A178-S180 PolarHBondContact O-N 2.92Å |
| 179 | E | 58.2 | Low | 59.7 | Low | 182 Ų | 182 | 127 Ų | 127 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | | | trans | -72.1 | 81.1 | 174.3 | 54.3 | -162.6 | 129 | 0 | 0 | 109.3 | K177 V181 | K177-E179 PolarHBondContact O-N 3.25Å; K177-E179 VanDerWaalsContact O-N 3.1Å; E179-V181 PolarHBondContact O-N 2.98Å; E179-V181 VanDerWaalsContact O-N 3.16Å |
| 180 | S | 54.6 | Low | 61.2 | Low | 64 Ų | 64 | 124.7 Ų | 124.7 | 45% | 0.448 | 71% | 0.711 | S | S | . | * | | | trans | -65.2 | 114.8 | -179 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | A178 M182 S183 | A178-S180 PolarHBondContact O-N 2.92Å; S180-M182 PolarHBondContact O-N 3.3Å; S180-M182 PolarHBondContact OG-N 2.72Å; S180-S183 PolarHBondContact O-N 3.22Å; S180-S183 PolarHBondContact O-OG 3.5Å; S180-S183 PolarHBondContact OG-N 3.38Å |
| 181 | V | 60.1 | Low | 62.3 | Low | 147 Ų | 147 | 123.2 Ų | 123.2 | 89% | 0.891 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 5.8 | 171.3 | -69.1 | 0 | 0 | 0 | 0 | 113.7 | E179 | E179-V181 PolarHBondContact O-N 2.98Å; E179-V181 VanDerWaalsContact O-N 3.16Å |
| 182 | M | 57.3 | Low | 63.9 | Low | 152 Ų | 152 | 118.8 Ų | 118.8 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | -3.1 | 170.2 | -64.5 | 176.4 | 64.6 | 0 | 0 | 113.5 | S180 F184 | S180-M182 PolarHBondContact O-N 3.3Å; S180-M182 PolarHBondContact OG-N 2.72Å; M182-F184 VanDerWaalsContact C-N 3.32Å; M182-F184 WeakPolarHBondContact O-CD2 3.27Å; M182-F184 PolarHBondContact O-N 3.29Å |
| 183 | S | 58.8 | Low | 65.5 | Low | 81 Ų | 81 | 119 Ų | 119 | 57% | 0.566 | 67% | 0.669 | S | S | * | * | | | trans | -81.6 | 79.4 | 176 | 63.4 | 0 | 0 | 0 | 0 | 111 | S180 H185 | S180-S183 PolarHBondContact O-N 3.22Å; S180-S183 PolarHBondContact O-OG 3.5Å; S180-S183 PolarHBondContact OG-N 3.38Å; S183-H185 PolarHBondContact O-N 3.46Å |
| 184 | F | 59.8 | Low | 67.4 | Low | 170 Ų | 170 | 117.6 Ų | 117.6 | 75% | 0.746 | 65% | 0.654 | S | S | * | * | | | trans | -65.4 | 98.4 | 165.3 | -57.5 | -78.6 | 0 | 0 | 0 | 108.9 | M182 I186 | M182-F184 VanDerWaalsContact C-N 3.32Å; M182-F184 WeakPolarHBondContact O-CD2 3.27Å; M182-F184 PolarHBondContact O-N 3.29Å; F184-I186 HydrophobicContact CB-CD1 4.46Å; F184-I186 HydrophobicContact CB-CG1 3.98Å; F184-I186 PolarHBondContact O-N 3.29Å |
| 185 | H | 67.4 | Low | 69.2 | Low | 165 Ų | 165 | 119.3 Ų | 119.3 | 76% | 0.764 | 65% | 0.646 | S | S | * | * | | | trans | -74.2 | 79.5 | 168.6 | -174.8 | -71.4 | 0 | 0 | 0 | 108.5 | S183 D187 | S183-H185 PolarHBondContact O-N 3.46Å; H185-D187 PolarHBondContact O-N 3.07Å |
| 186 | I | 71.6 | Confident | 70.9 | Confident | 127 Ų | 127 | 114.3 Ų | 114.3 | 65% | 0.651 | 62% | 0.622 | S | S | * | * | | | trans | -72.7 | 84.7 | 176.8 | -51.9 | 177.8 | 0 | 0 | 0 | 107.7 | F184 L188 | F184-I186 HydrophobicContact CB-CD1 4.46Å; F184-I186 HydrophobicContact CB-CG1 3.98Å; F184-I186 PolarHBondContact O-N 3.29Å; I186-L188 HydrophobicContact CG2-CD2 3.77Å; I186-L188 HydrophobicContact CG2-CG 4.09Å; I186-L188 PolarHBondContact O-N 3.13Å; I186-L188 VanDerWaalsContact O-N 3.12Å |
| 187 | D | 75 | Confident | 72 | Confident | 123 Ų | 123 | 109.6 Ų | 109.6 | 66% | 0.658 | 61% | 0.606 | S | S | * | * | | | trans | -72.6 | 100 | 167.4 | -169.6 | -5.9 | 0 | 0 | 0 | 108.2 | H185 G189 | H185-D187 PolarHBondContact O-N 3.07Å; D187-G189 PolarHBondContact O-N 3.07Å; D187-G189 WeakPolarHBondContact OD1-CA 3.3Å; D187-G189 PolarHBondContact OD1-N 3.21Å |
| 188 | L | 77.2 | Confident | 73.5 | Confident | 69 Ų | 69 | 103.7 Ų | 103.7 | 36% | 0.361 | 59% | 0.589 | S | S | . | * | | | trans | -71.2 | -14.7 | 176 | -64.6 | 167.3 | 0 | 0 | 0 | 111.7 | I186 M192 I196 | I186-L188 HydrophobicContact CG2-CD2 3.77Å; I186-L188 HydrophobicContact CG2-CG 4.09Å; I186-L188 PolarHBondContact O-N 3.13Å; I186-L188 VanDerWaalsContact O-N 3.12Å; L188-M192 HydrophobicContact CB-CB 4.3Å; L188-M192 HydrophobicContact CD2-CB 4.46Å; L188-M192 HydrophobicContact CD2-CE 3.83Å; L188-M192 HydrophobicContact CD2-SD 4.38Å; L188-M192 WeakPolarHBondContact O-CB 3.44Å; L188-M192 PolarHBondContact O-N 3.05Å; L188-I196 HydrophobicContact CD1-CD1 4.18Å |
| 189 | G | 82.3 | Confident | 75.2 | Confident | 26 Ų | 26 | 104.5 Ų | 104.5 | 27% | 0.268 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | 59 | -176.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D187 S191 L193 | D187-G189 PolarHBondContact O-N 3.07Å; D187-G189 WeakPolarHBondContact OD1-CA 3.3Å; D187-G189 PolarHBondContact OD1-N 3.21Å; G189-S191 VanDerWaalsContact C-N 3.33Å; G189-S191 PolarHBondContact O-N 2.82Å; G189-L193 WeakPolarHBondContact O-CB 3.43Å; G189-L193 PolarHBondContact O-N 3Å |
| 190 | P | 80.3 | Confident | 76.4 | Confident | 119 Ų | 119 | 101.6 Ų | 101.6 | 77% | 0.773 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65 | -34.8 | 178 | -23 | 34.9 | 0 | 0 | 0 | 113.2 | G194 | P190-G194 PolarHBondContact O-N 3.4Å |
| 191 | S | 77.9 | Confident | 77.6 | Confident | 94 Ų | 94 | 103.5 Ų | 103.5 | 66% | 0.657 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.6 | -58 | -170.6 | -48.5 | 0 | 0 | 0 | 0 | 113.2 | G189 L193 G194 D195 | G189-S191 VanDerWaalsContact C-N 3.33Å; G189-S191 PolarHBondContact O-N 2.82Å; S191-L193 VanDerWaalsContact C-N 3.26Å; S191-L193 PolarHBondContact O-N 3.31Å; S191-G194 WeakPolarHBondContact O-CA 3.39Å; S191-G194 PolarHBondContact O-N 3.22Å; S191-D195 PolarHBondContact O-N 2.92Å |
| 192 | M | 83.4 | Confident | 78.4 | Confident | 104 Ų | 104 | 101.8 Ų | 101.8 | 51% | 0.512 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.6 | -28.8 | 178.5 | -79.4 | -179.8 | 67 | 0 | 0 | 111.9 | L188 G194 D195 I196 | L188-M192 HydrophobicContact CB-CB 4.3Å; L188-M192 HydrophobicContact CD2-CB 4.46Å; L188-M192 HydrophobicContact CD2-CE 3.83Å; L188-M192 HydrophobicContact CD2-SD 4.38Å; L188-M192 WeakPolarHBondContact O-CB 3.44Å; L188-M192 PolarHBondContact O-N 3.05Å; M192-G194 VanDerWaalsContact C-N 3.33Å; M192-D195 PolarHBondContact O-N 2.96Å; M192-I196 WeakPolarHBondContact O-CB 3.33Å; M192-I196 WeakPolarHBondContact O-CD1 3.36Å; M192-I196 WeakPolarHBondContact O-CG1 3.26Å; M192-I196 PolarHBondContact O-N 3.35Å |
| 193 | L | 87.8 | Confident | 78.6 | Confident | 87 Ų | 87 | 100 Ų | 100 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 171.2 | -175.6 | 62.6 | 0 | 0 | 0 | 111.1 | G189 S191 I196 L197 | G189-L193 WeakPolarHBondContact O-CB 3.43Å; G189-L193 PolarHBondContact O-N 3Å; S191-L193 VanDerWaalsContact C-N 3.26Å; S191-L193 PolarHBondContact O-N 3.31Å; L193-I196 PolarHBondContact O-N 3.4Å; L193-L197 HydrophobicContact CD1-CD1 4.38Å; L193-L197 HydrophobicContact CD1-CG 4.47Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 WeakPolarHBondContact O-CB 3.21Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.15Å; L193-L197 PolarHBondContact O-N 2.86Å |
| 194 | G | 87.9 | Confident | 78.7 | Confident | 33 Ų | 33 | 101.2 Ų | 101.2 | 34% | 0.34 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P190 S191 M192 I196 L197 S198 | P190-G194 PolarHBondContact O-N 3.4Å; S191-G194 WeakPolarHBondContact O-CA 3.39Å; S191-G194 PolarHBondContact O-N 3.22Å; M192-G194 VanDerWaalsContact C-N 3.33Å; G194-I196 PolarHBondContact O-N 2.63Å; G194-L197 PolarHBondContact O-N 3.43Å; G194-S198 VanDerWaalsContact O-CB 3.27Å; G194-S198 WeakPolarHBondContact O-CB 3.18Å; G194-S198 PolarHBondContact O-N 3.31Å |
| 195 | D | 89.7 | Confident | 78.6 | Confident | 107 Ų | 107 | 101.3 Ų | 101.3 | 57% | 0.572 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.7 | -44.5 | 176.1 | -63.2 | -35.3 | 0 | 0 | 0 | 111.6 | S191 M192 S198 V199 | S191-D195 PolarHBondContact O-N 2.92Å; M192-D195 PolarHBondContact O-N 2.96Å; D195-S198 PolarHBondContact O-N 3.02Å; D195-V199 WeakPolarHBondContact O-CG2 3.42Å; D195-V199 PolarHBondContact O-N 3.42Å |
| 196 | I | 89.8 | Confident | 78.1 | Confident | 74 Ų | 74 | 99.6 Ų | 99.6 | 38% | 0.379 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 178.5 | -69 | 163.4 | 0 | 0 | 0 | 111.1 | L188 M192 L193 G194 S198 V199 M200 | L188-I196 HydrophobicContact CD1-CD1 4.18Å; M192-I196 WeakPolarHBondContact O-CB 3.33Å; M192-I196 WeakPolarHBondContact O-CD1 3.36Å; M192-I196 WeakPolarHBondContact O-CG1 3.26Å; M192-I196 PolarHBondContact O-N 3.35Å; L193-I196 PolarHBondContact O-N 3.4Å; G194-I196 PolarHBondContact O-N 2.63Å; I196-S198 VanDerWaalsContact C-N 3.34Å; I196-S198 PolarHBondContact O-N 3.49Å; I196-V199 PolarHBondContact O-N 2.85Å; I196-M200 HydrophobicContact CG2-SD 4.27Å; I196-M200 WeakPolarHBondContact O-CG 3.25Å; I196-M200 PolarHBondContact O-N 2.9Å |
| 197 | L | 85.4 | Confident | 77.3 | Confident | 97 Ų | 97 | 99.1 Ų | 99.1 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 175.7 | -77.1 | 167.3 | 0 | 0 | 0 | 111.2 | L193 G194 V199 M200 E201 | L193-L197 HydrophobicContact CD1-CD1 4.38Å; L193-L197 HydrophobicContact CD1-CG 4.47Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 WeakPolarHBondContact O-CB 3.21Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.15Å; L193-L197 PolarHBondContact O-N 2.86Å; G194-L197 PolarHBondContact O-N 3.43Å; L197-V199 VanDerWaalsContact C-N 3.33Å; L197-V199 PolarHBondContact O-N 3.42Å; L197-M200 PolarHBondContact O-N 3.46Å; L197-E201 VanDerWaalsContact O-CB 3.26Å; L197-E201 WeakPolarHBondContact O-CB 3.32Å; L197-E201 PolarHBondContact O-N 2.97Å |
| 198 | S | 86.9 | Confident | 76.4 | Confident | 67 Ų | 67 | 99.4 Ų | 99.4 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -35.9 | 178.5 | -172.6 | 0 | 0 | 0 | 0 | 112.5 | G194 D195 I196 K202 | G194-S198 VanDerWaalsContact O-CB 3.27Å; G194-S198 WeakPolarHBondContact O-CB 3.18Å; G194-S198 PolarHBondContact O-N 3.31Å; D195-S198 PolarHBondContact O-N 3.02Å; I196-S198 VanDerWaalsContact C-N 3.34Å; I196-S198 PolarHBondContact O-N 3.49Å; S198-K202 WeakPolarHBondContact O-CB 3.27Å; S198-K202 PolarHBondContact O-N 3.48Å |
| 199 | V | 88.3 | Confident | 75.1 | Confident | 106 Ų | 106 | 103 Ų | 103 | 64% | 0.642 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.8 | -41.1 | 173.4 | 168 | 0 | 0 | 0 | 0 | 112 | D195 I196 L197 K203 | D195-V199 WeakPolarHBondContact O-CG2 3.42Å; D195-V199 PolarHBondContact O-N 3.42Å; I196-V199 PolarHBondContact O-N 2.85Å; L197-V199 VanDerWaalsContact C-N 3.33Å; L197-V199 PolarHBondContact O-N 3.42Å; V199-K203 PolarHBondContact O-N 3Å |
| 200 | M | 82.9 | Confident | 73.6 | Confident | 121 Ų | 121 | 109.2 Ų | 109.2 | 60% | 0.596 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.4 | -49.2 | 175.9 | -69.6 | 177.5 | 62.9 | 0 | 0 | 111.3 | I196 L197 K203 N204 | I196-M200 HydrophobicContact CG2-SD 4.27Å; I196-M200 WeakPolarHBondContact O-CG 3.25Å; I196-M200 PolarHBondContact O-N 2.9Å; L197-M200 PolarHBondContact O-N 3.46Å; M200-K203 PolarHBondContact O-N 2.92Å; M200-N204 PolarHBondContact O-N 3.16Å |
| 201 | E | 79 | Confident | 72 | Confident | 105 Ų | 105 | 106.4 Ų | 106.4 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.6 | -48 | 176.9 | 176.6 | 173.3 | -164.4 | 0 | 0 | 111.7 | L197 K203 N204 W205 | L197-E201 VanDerWaalsContact O-CB 3.26Å; L197-E201 WeakPolarHBondContact O-CB 3.32Å; L197-E201 PolarHBondContact O-N 2.97Å; E201-K203 VanDerWaalsContact C-N 3.28Å; E201-K203 PolarHBondContact O-N 2.92Å; E201-N204 WeakPolarHBondContact O-CB 3.44Å; E201-N204 PolarHBondContact O-N 2.97Å; E201-W205 VanDerWaalsContact CG-CD1 3.48Å; E201-W205 PolarHBondContact O-N 2.86Å; E201-W205 PolarHBondContact OE1-NE1 3.1Å; E201-W205 VanDerWaalsContact OE1-NE1 3.13Å |
| 202 | K | 77.4 | Confident | 70.3 | Confident | 111 Ų | 111 | 111.2 Ų | 111.2 | 48% | 0.483 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -56.8 | -42 | 178 | -175.9 | 178.5 | -174.2 | -92.2 | 0 | 112.1 | S198 N204 W205 E206 | S198-K202 WeakPolarHBondContact O-CB 3.27Å; S198-K202 PolarHBondContact O-N 3.48Å; K202-N204 VanDerWaalsContact C-N 3.31Å; K202-N204 PolarHBondContact O-N 3.12Å; K202-W205 PolarHBondContact O-N 2.91Å; K202-E206 WeakPolarHBondContact CE-OE1 3.45Å; K202-E206 HydrophobicContact CG-CG 4.42Å; K202-E206 IonicContact NZ-OE1 3.96Å; K202-E206 PolarHBondContact NZ-OE1 2.94Å; K202-E206 IonicContact NZ-OE2 3.29Å; K202-E206 PolarHBondContact NZ-OE2 2.92Å; K202-E206 PolarHBondContact O-N 3.44Å |
| 203 | K | 62.3 | Low | 68.5 | Low | 115 Ų | 115 | 115.4 Ų | 115.4 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.5 | -35.2 | 178.5 | -171.4 | 178.9 | -177.9 | -66.8 | 0 | 111.9 | V199 M200 E201 E207 | V199-K203 PolarHBondContact O-N 3Å; M200-K203 PolarHBondContact O-N 2.92Å; E201-K203 VanDerWaalsContact C-N 3.28Å; E201-K203 PolarHBondContact O-N 2.92Å; K203-E207 WeakPolarHBondContact CE-OE1 3.2Å; K203-E207 IonicContact NZ-OE1 2.83Å; K203-E207 PolarHBondContact NZ-OE1 2.94Å; K203-E207 IonicContact NZ-OE2 3.98Å; K203-E207 PolarHBondContact NZ-OE2 3.35Å; K203-E207 PolarHBondContact O-N 3.42Å |
| 204 | N | 60.4 | Low | 66.4 | Low | 105 Ų | 105 | 119 Ų | 119 | 56% | 0.561 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.5 | -41.9 | 173.8 | -95.7 | 99.6 | 0 | 0 | 0 | 112.2 | M200 E201 K202 | M200-N204 PolarHBondContact O-N 3.16Å; E201-N204 WeakPolarHBondContact O-CB 3.44Å; E201-N204 PolarHBondContact O-N 2.97Å; K202-N204 VanDerWaalsContact C-N 3.31Å; K202-N204 PolarHBondContact O-N 3.12Å |
| 205 | W | 56.7 | Low | 64.1 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 66% | 0.655 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.2 | -28.1 | 178.2 | -62.7 | 117.3 | 0 | 0 | 0 | 114.1 | E201 K202 E207 | E201-W205 VanDerWaalsContact CG-CD1 3.48Å; E201-W205 PolarHBondContact O-N 2.86Å; E201-W205 PolarHBondContact OE1-NE1 3.1Å; E201-W205 VanDerWaalsContact OE1-NE1 3.13Å; K202-W205 PolarHBondContact O-N 2.91Å; W205-E207 VanDerWaalsContact C-N 3.33Å |
| 206 | E | 57 | Low | 62 | Low | 128 Ų | 128 | 125.4 Ų | 125.4 | 60% | 0.598 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -80.5 | -6.8 | 177.6 | -75.3 | -178 | 153.6 | 0 | 0 | 114.3 | K202 | K202-E206 WeakPolarHBondContact CE-OE1 3.45Å; K202-E206 HydrophobicContact CG-CG 4.42Å; K202-E206 IonicContact NZ-OE1 3.96Å; K202-E206 PolarHBondContact NZ-OE1 2.94Å; K202-E206 IonicContact NZ-OE2 3.29Å; K202-E206 PolarHBondContact NZ-OE2 2.92Å; K202-E206 PolarHBondContact O-N 3.44Å |
| 207 | E | 55.9 | Low | 59.5 | Low | 117 Ų | 117 | 124.8 Ų | 124.8 | 55% | 0.547 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -106.3 | -21.2 | 177.1 | -72.5 | 178.3 | 163.4 | 0 | 0 | 113.8 | K203 W205 | K203-E207 WeakPolarHBondContact CE-OE1 3.2Å; K203-E207 IonicContact NZ-OE1 2.83Å; K203-E207 PolarHBondContact NZ-OE1 2.94Å; K203-E207 IonicContact NZ-OE2 3.98Å; K203-E207 PolarHBondContact NZ-OE2 3.35Å; K203-E207 PolarHBondContact O-N 3.42Å; W205-E207 VanDerWaalsContact C-N 3.33Å |
| 208 | D | 55.5 | Low | 57.5 | Low | 130 Ų | 130 | 125.3 Ų | 125.3 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -88.8 | -13.3 | -179.7 | -79.8 | -26.6 | 0 | 0 | 0 | 114.9 | L210 | D208-L210 VanDerWaalsContact C-N 3.31Å; D208-L210 PolarHBondContact O-N 3.48Å |
| 209 | D | 49.9 | Very low | 55.2 | Low | 144 Ų | 144 | 129.7 Ų | 129.7 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | | | trans | -91.2 | 21.5 | 177.5 | -161.1 | 31.7 | 0 | 0 | 0 | 113.8 | G211 | D209-G211 PolarHBondContact O-N 3.5Š|
| 210 | L | 50.6 | Low | 53.1 | Low | 156 Ų | 156 | 132.3 Ų | 132.3 | 82% | 0.817 | 69% | 0.685 | S | S | * | * | | | trans | -81.1 | 65.6 | 160.8 | -70.3 | -176.9 | 0 | 0 | 0 | 109.8 | D208 F212 | D208-L210 VanDerWaalsContact C-N 3.31Å; D208-L210 PolarHBondContact O-N 3.48Å; L210-F212 PolarHBondContact O-N 3.06Å |
| 211 | G | 46.8 | Very low | 51.1 | Low | 60 Ų | 60 | 134.7 Ų | 134.7 | 62% | 0.619 | 69% | 0.694 | S | S | * | * | | | trans | -52.1 | 120.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D209 E213 | D209-G211 PolarHBondContact O-N 3.5Å; G211-E213 PolarHBondContact O-N 3.4Å |
| 212 | F | 42.6 | Very low | 49 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 86% | 0.855 | 71% | 0.71 | S | S | * | * | | | trans | -70.2 | 105.8 | 176.3 | 43.3 | -85.9 | 0 | 0 | 0 | 110.2 | L210 E214 | L210-F212 PolarHBondContact O-N 3.06Å; F212-E214 PolarHBondContact O-N 2.88Å |
| 213 | E | 45.6 | Very low | 47.4 | Very low | 193 Ų | 193 | 134.7 Ų | 134.7 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | | | trans | -72.1 | 93.4 | 173.6 | -169 | -179.2 | -140.3 | 0 | 0 | 110.8 | G211 G215 | G211-E213 PolarHBondContact O-N 3.4Å; E213-G215 PolarHBondContact O-N 3.45Å |
| 214 | E | 43.3 | Very low | 46.8 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | 28.9 | 56.8 | 156.3 | -149.3 | -178.3 | 140.4 | 0 | 0 | 117.3 | F212 K216 | F212-E214 PolarHBondContact O-N 2.88Å; E214-K216 PolarHBondContact O-N 2.97Å |
| 215 | G | 39.6 | Very low | 46 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | | | trans | -69.9 | 59.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.6 | E213 G217 | E213-G215 PolarHBondContact O-N 3.45Å; G215-G217 PolarHBondContact O-N 2.93Å |
| 216 | K | 46.5 | Very low | 44.9 | Very low | 195 Ų | 195 | 135.4 Ų | 135.4 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | -34.7 | 101.1 | 173.3 | 52.8 | -163.9 | 166.4 | -162.1 | 0 | 114.1 | E214 | E214-K216 PolarHBondContact O-N 2.97Š|
| 217 | G | 37 | Very low | 44.5 | Very low | 60 Ų | 60 | 135.8 Ų | 135.8 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | | | trans | -173.9 | 77 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G215 | G215-G217 PolarHBondContact O-N 2.93Š|
| 218 | S | 44.3 | Very low | 43.9 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | 63.8 | 145.7 | 160 | 48.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 219 | E | 38.8 | Very low | 43.1 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | trans | 21 | 110.8 | 157.8 | -79.7 | 82.4 | 142.8 | 0 | 0 | 118.5 | | |
| 220 | E | 42.9 | Very low | 42.6 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | | 73.3 | 109.6 | 80.4 | -74.1 | -158 | 149.9 | 0 | 0 | 115.4 | | |
| 221 | H | 41.9 | Very low | 42 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | 43 | 108.6 | 140.8 | -51 | -59.2 | 0 | 0 | 0 | 120.6 | | |
| 222 | A | 34.3 | Very low | 42 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | | 163.8 | 141.4 | 95.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 223 | S | 42.9 | Very low | 41.9 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | -72.8 | 148 | 156 | -42 | 0 | 0 | 0 | 0 | 108.9 | | |
| 224 | P | 49.5 | Very low | 41.8 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | | -150.9 | -165 | 67.3 | 42.7 | -22.5 | 0 | 0 | 0 | 115.6 | | |
| 225 | S | 43.9 | Very low | 42.1 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -57.5 | 142.5 | 174.5 | 53.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 226 | H | 35.2 | Very low | 42.6 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | | -161.2 | 160.3 | 123.8 | -145.6 | -88.6 | 0 | 0 | 0 | 112.2 | | |
| 227 | I | 48.7 | Very low | 42.7 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | | | trans | -84.4 | 125.5 | 163.9 | -62.5 | 167.9 | 0 | 0 | 0 | 108.3 | | |
| 228 | P | 42 | Very low | 42.7 | Very low | 126 Ų | 126 | 146 Ų | 146 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -77.6 | 133.3 | 165.4 | -10.8 | 28.3 | 0 | 0 | 0 | 110.3 | | |
| 229 | H | 38 | Very low | 42.5 | Very low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | | | trans | -126.4 | 111.5 | -178.4 | 173.4 | -71.7 | 0 | 0 | 0 | 108.7 | | |
| 230 | I | 41.1 | Very low | 42.6 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | trans | 58 | 124.6 | 160.2 | -58.8 | -175.9 | 0 | 0 | 0 | 117.4 | | |
| 231 | D | 36.8 | Very low | 42.5 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | | -175.1 | 163.5 | 116.2 | -97.2 | -41.8 | 0 | 0 | 0 | 110.4 | | |
| 232 | D | 46.3 | Very low | 42.7 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | trans | -81 | 152 | -173.1 | -62.8 | -73.4 | 0 | 0 | 0 | 114.4 | | |
| 233 | D | 41.4 | Very low | 43.1 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | 172.9 | 143.6 | 119.8 | -92.4 | -23.3 | 0 | 0 | 0 | 114 | | |
| 234 | D | 44.3 | Very low | 43.2 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | 34.5 | 98.6 | 159.4 | -75.2 | -18.6 | 0 | 0 | 0 | 122.3 | | |
| 235 | A | 48.8 | Very low | 42.7 | Very low | 103 Ų | 103 | 151.1 Ų | 151.1 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | | -163.1 | 124.1 | 128.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 236 | E | 50.5 | Low | 42.5 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -81.9 | 126.5 | 170.3 | -88.2 | -156.3 | -135.6 | 0 | 0 | 112.4 | W238 | E236-W238 PolarHBondContact OE2-NE1 2.85Š|
| 237 | E | 49 | Very low | 42.5 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | -140.2 | 132.2 | 153.1 | -167 | 168.2 | -169.1 | 0 | 0 | 110.4 | | |
| 238 | W | 35.7 | Very low | 42 | Very low | 225 Ų | 225 | 152.3 Ų | 152.3 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | | | trans | -81.9 | 133.3 | -165.8 | -67.1 | -15.7 | 0 | 0 | 0 | 114.7 | E236 | E236-W238 PolarHBondContact OE2-NE1 2.85Š|
| 239 | A | 41 | Very low | 41.6 | Very low | 87 Ų | 87 | 155 Ų | 155 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | | | trans | -91.2 | 135.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.9 | S241 | A239-S241 PolarHBondContact O-N 2.87Š|
| 240 | P | 39.7 | Very low | 41.6 | Very low | 135 Ų | 135 | 154.9 Ų | 154.9 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | -87 | 80.8 | 165.8 | 33.6 | -31.6 | 0 | 0 | 0 | 110.6 | | |
| 241 | S | 42.4 | Very low | 41.3 | Very low | 108 Ų | 108 | 156.9 Ų | 156.9 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78 | 151.7 | 178.5 | 63.7 | 0 | 0 | 0 | 0 | 112.9 | A239 | A239-S241 PolarHBondContact O-N 2.87Š|
| 242 | R | 44.3 | Very low | 41.4 | Very low | 234 Ų | 234 | 158.3 Ų | 158.3 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 133.9 | -171.9 | -170.9 | -177.5 | -171.1 | 179.3 | 4.5 | 111.1 | | |
| 243 | P | 43.6 | Very low | 40.8 | Very low | 115 Ų | 115 | 160 Ų | 160 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 131.4 | -172.6 | 25.8 | -34.8 | 0 | 0 | 0 | 113.1 | | |
| 244 | P | 44.1 | Very low | 40.3 | Very low | 125 Ų | 125 | 158 Ų | 158 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74 | 161.1 | 168.6 | 31.6 | -34.1 | 0 | 0 | 0 | 111.6 | | |
| 245 | R | 40.8 | Very low | 39.9 | Very low | 245 Ų | 245 | 156.7 Ų | 156.7 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75 | 139 | 178.8 | -80 | 179.6 | 158.5 | 127.3 | -6.6 | 111.5 | | |
| 246 | S | 37.8 | Very low | 39.1 | Very low | 88 Ų | 88 | 156.8 Ų | 156.8 | 62% | 0.615 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 120.6 | 176.7 | 56 | 0 | 0 | 0 | 0 | 112.4 | F248 | S246-F248 WeakPolarHBondContact OG-CE2 3.45Š|
| 247 | N | 35.8 | Very low | 38.3 | Very low | 159 Ų | 159 | 155.9 Ų | 155.9 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -84.7 | 115.7 | 158.4 | -74.8 | -16.5 | 0 | 0 | 0 | 109 | Q249 | N247-Q249 PolarHBondContact O-N 3.19Š|
| 248 | F | 38.3 | Very low | 38.4 | Very low | 197 Ų | 197 | 151.4 Ų | 151.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -82.7 | 94.7 | 174.4 | -80.7 | -85.2 | 0 | 0 | 0 | 110.5 | S246 | S246-F248 WeakPolarHBondContact OG-CE2 3.45Š|
| 249 | Q | 33.5 | Very low | 38.1 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -97.2 | 98.1 | 168.4 | -172.8 | 151.8 | -7.1 | 0 | 0 | 109.6 | N247 E251 | N247-Q249 PolarHBondContact O-N 3.19Å; Q249-E251 PolarHBondContact O-N 2.97Å |
| 250 | L | 38.9 | Very low | 38.1 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | | | trans | -87 | 99.3 | 174.8 | -176.4 | 69.6 | 0 | 0 | 0 | 109.5 | Q252 | L250-Q252 PolarHBondContact O-N 3.01Š|
| 251 | E | 34.3 | Very low | 38.2 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | | | trans | -71 | 122.4 | 159.4 | -83.2 | -158 | 98.3 | 0 | 0 | 109.6 | Q249 | Q249-E251 PolarHBondContact O-N 2.97Š|
| 252 | Q | 38.1 | Very low | 37.7 | Very low | 183 Ų | 183 | 153.4 Ų | 153.4 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | -134 | 114.5 | 156.3 | -159.7 | 169.3 | 20.5 | 0 | 0 | 108.7 | L250 | L250-Q252 PolarHBondContact O-N 3.01Š|
| 253 | K | 33.8 | Very low | 37.3 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -99.7 | 162.7 | -171.2 | -172.9 | -175.6 | 176.2 | 178 | 0 | 110.6 | | |
| 254 | V | 31.5 | Very low | 36.7 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | | | trans | 114.1 | 104.4 | 152.2 | -174.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 255 | T | 35 | Very low | 36.2 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | 77.6 | 144.6 | 148.3 | 55.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 256 | A | 33.3 | Very low | 35.8 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | | | trans | 95.5 | 147.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 257 | D | 33 | Very low | 35.7 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | | | trans | -138 | -179.2 | -158.2 | -168.1 | 48.1 | 0 | 0 | 0 | 108.2 | | |
| 258 | P | 52.2 | Low | 35.9 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | | | | -104.9 | 156.6 | -75.8 | 33.8 | -22.2 | 0 | 0 | 0 | 112.4 | | |
| 259 | Y | 28.3 | Very low | 35.8 | Very low | 221 Ų | 221 | 146.1 Ų | 146.1 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | | | trans | -158.1 | 138.9 | 155.8 | -141.2 | -113 | 0 | 0 | 0 | 113.5 | P261 | Y259-P261 HydrophobicContact CE1-CG 4.23Š|
| 260 | D | 40.5 | Very low | 36 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | | | trans | -122.9 | 136.7 | 164.9 | 175.8 | 27.9 | 0 | 0 | 0 | 105.8 | E262 | D260-E262 PolarHBondContact OD1-N 2.98Š|
| 261 | P | 43.2 | Very low | 36.2 | Very low | 89 Ų | 89 | 145.8 Ų | 145.8 | 58% | 0.578 | 76% | 0.761 | S | S | * | * | | | | -147.6 | 137 | 113.7 | 35.8 | -18.9 | 0 | 0 | 0 | 115.9 | Y259 | Y259-P261 HydrophobicContact CE1-CG 4.23Š|
| 262 | E | 30.8 | Very low | 36.6 | Very low | 153 Ų | 153 | 145 Ų | 145 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | | | trans | 66.4 | 122.6 | 130.8 | -65 | -166.5 | 150.4 | 0 | 0 | 122 | D260 | D260-E262 PolarHBondContact OD1-N 2.98Š|
| 263 | I | 36.3 | Very low | 36.8 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | | | | 48.7 | 110.5 | 125.7 | -45.6 | 163.8 | 0 | 0 | 0 | 118.1 | | |
| 264 | S | 30.6 | Very low | 37 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | | | trans | -145.2 | 126.5 | 141 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 265 | E | 33.7 | Very low | 37.3 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -76.2 | 144.4 | 179.1 | -57.7 | 171.3 | 130.2 | 0 | 0 | 111 | | |
| 266 | S | 32.7 | Very low | 37.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | trans | -131.2 | 125.3 | 163.5 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 267 | E | 35.3 | Very low | 37.8 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 59% | 0.593 | 75% | 0.745 | S | S | * | * | | | trans | -97.9 | 150.1 | -156.3 | -75.2 | -153.9 | 98 | 0 | 0 | 114.8 | | |
| 268 | R | 40.9 | Very low | 38.4 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | trans | 48.8 | 112.9 | 146.4 | -58.4 | 162.8 | -155.3 | 172.6 | 9.8 | 118.1 | | |
| 269 | N | 35.1 | Very low | 37.6 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | -145.2 | 73.4 | 144.2 | -95.9 | -46.4 | 0 | 0 | 0 | 111.5 | H271 | N269-H271 PolarHBondContact O-N 2.89Š|
| 270 | N | 39.3 | Very low | 38.2 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | | | trans | -84.5 | 92.7 | 174.4 | -78.4 | -15.7 | 0 | 0 | 0 | 110.7 | H272 | N270-H272 PolarHBondContact O-N 3.25Š|
| 271 | H | 43.4 | Very low | 38.1 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | trans | -82.1 | 94.8 | 169.2 | -80.6 | -65.9 | 0 | 0 | 0 | 111.7 | N269 T273 | N269-H271 PolarHBondContact O-N 2.89Å; H271-T273 PolarHBondContact O-N 3.45Å |
| 272 | H | 41.8 | Very low | 37.7 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | -78.1 | 103.3 | 171.6 | 169.2 | 49.7 | 0 | 0 | 0 | 109.9 | N270 D274 | N270-H272 PolarHBondContact O-N 3.25Å; H272-D274 IonicContact CE1-OD1 3.33Å; H272-D274 PolarHBondContact CE1-OD1 2.76Å; H272-D274 IonicContact CE1-OD2 3.64Å; H272-D274 IonicContact ND1-OD1 3.84Å |
| 273 | T | 41.9 | Very low | 38.2 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -112.8 | 114.8 | 170.2 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | H271 | H271-T273 PolarHBondContact O-N 3.45Š|
| 274 | D | 37.3 | Very low | 38.4 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | | | trans | -101.5 | 158.3 | -160.9 | -137.4 | 19.4 | 0 | 0 | 0 | 113.7 | H272 | H272-D274 IonicContact CE1-OD1 3.33Å; H272-D274 PolarHBondContact CE1-OD1 2.76Å; H272-D274 IonicContact CE1-OD2 3.64Å; H272-D274 IonicContact ND1-OD1 3.84Å |
| 275 | S | 38.8 | Very low | 39.3 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | trans | 54.7 | 84.4 | 153.1 | -62.2 | 0 | 0 | 0 | 0 | 119.9 | S277 | S275-S277 PolarHBondContact O-N 2.98Š|
| 276 | C | 36.7 | Very low | 39.7 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | | | trans | -70.9 | 90.9 | 154.5 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 277 | S | 42.1 | Very low | 39.6 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -72.2 | 133.2 | 178.1 | -68.2 | 0 | 0 | 0 | 0 | 112.7 | S275 S279 | S275-S277 PolarHBondContact O-N 2.98Å; S277-S279 PolarHBondContact O-N 2.97Å |
| 278 | V | 44.6 | Very low | 39.6 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | | | trans | -86.4 | 101.9 | 173.4 | -76 | 0 | 0 | 0 | 0 | 111 | S280 | V278-S280 PolarHBondContact O-N 2.86Š|
| 279 | S | 36.5 | Very low | 39.2 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | -76.4 | 115.7 | 174.3 | -66.2 | 0 | 0 | 0 | 0 | 111 | S277 | S277-S279 PolarHBondContact O-N 2.97Š|
| 280 | S | 41.2 | Very low | 39.2 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -112.4 | 118 | 168.7 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | V278 | V278-S280 PolarHBondContact O-N 2.86Š|
| 281 | S | 37.4 | Very low | 39.1 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | -142.4 | 132.3 | 164.5 | -59.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 282 | G | 36.2 | Very low | 38.6 | Very low | 67 Ų | 67 | 134.2 Ų | 134.2 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | cis | 112.8 | 100.2 | 18.9 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 283 | S | 41 | Very low | 38.3 | Very low | 132 Ų | 132 | 130 Ų | 130 | 92% | 0.923 | 77% | 0.768 | S | S | * | * | | | trans | -91.5 | 130.3 | -174 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 284 | E | 39.1 | Very low | 37.8 | Very low | 186 Ų | 186 | 130.9 Ų | 130.9 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | trans | -132.1 | 132.2 | 175.4 | 52.7 | -165.3 | 138.8 | 0 | 0 | 111.7 | | |
| 285 | K | 49.8 | Very low | 38.3 | Very low | 181 Ų | 181 | 131 Ų | 131 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | | | trans | -98.8 | 144.3 | 173.9 | -65.7 | 176.4 | 175.5 | -179.6 | 0 | 109.2 | | |
| 286 | P | 42.1 | Very low | 38.3 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -97.4 | 144.9 | 147.5 | 33.7 | -27.5 | 0 | 0 | 0 | 110.7 | | |
| 287 | Q | 31.6 | Very low | 38.5 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | | | trans | -146.2 | 115.8 | 178.9 | -153.4 | -174.7 | -59.1 | 0 | 0 | 110.4 | | |
| 288 | Y | 35.8 | Very low | 38.3 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | | | trans | 58.6 | 160.3 | 171.8 | 69.4 | -113.1 | 0 | 0 | 0 | 117.4 | | |
| 289 | N | 32.3 | Very low | 38.1 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 66% | 0.658 | 78% | 0.784 | S | S | * | * | | | cis | -136.2 | 149.9 | 2.3 | -99.5 | -38.2 | 0 | 0 | 0 | 107.4 | | |
| 290 | L | 33.9 | Very low | 38.4 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 71% | 0.707 | 79% | 0.786 | S | S | * | * | | | | 63.1 | 135.7 | 57 | -166.7 | 74.8 | 0 | 0 | 0 | 112.1 | | |
| 291 | H | 37.7 | Very low | 38.4 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | | | cis | -81.1 | -167.3 | 0.4 | -98.3 | -112.5 | 0 | 0 | 0 | 112.9 | | |
| 292 | D | 33 | Very low | 38.7 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | cis | -151.7 | -172.2 | 4.7 | -132.8 | -11.5 | 0 | 0 | 0 | 109.7 | | |
| 293 | G | 35.2 | Very low | 39.5 | Very low | 62 Ų | 62 | 145.1 Ų | 145.1 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | | | cis | 167 | 64.9 | 0.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 294 | N | 32.7 | Very low | 39.3 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -146.6 | 132.2 | 167.3 | -165.6 | 6.2 | 0 | 0 | 0 | 111.9 | | |
| 295 | T | 46.1 | Very low | 39.6 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -102.6 | 132 | -173.5 | 53 | 0 | 0 | 0 | 0 | 111.9 | | |
| 296 | N | 38.5 | Very low | 39.3 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | | | trans | -151.5 | 123.6 | 153.5 | -96.6 | -46.5 | 0 | 0 | 0 | 110.6 | | |
| 297 | S | 41.3 | Very low | 39.5 | Very low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | | | trans | -115.5 | 117.9 | -178.5 | 173.7 | 0 | 0 | 0 | 0 | 110 | | |
| 298 | V | 39.4 | Very low | 40.1 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | | | trans | -139.3 | 138.7 | 160.1 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 299 | K | 40.2 | Very low | 40.4 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | -50.4 | 155.8 | -174.1 | -58.8 | 162.6 | 179.3 | 176.7 | 0 | 117.3 | | |
| 300 | Y | 41.6 | Very low | 41.4 | Very low | 228 Ų | 228 | 142.2 Ų | 142.2 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | | | trans | -6.8 | 136.6 | 134.9 | -90.7 | -106 | 0 | 0 | 0 | 117.1 | | |
| 301 | S | 41.7 | Very low | 41.8 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | | | trans | -150.6 | 143.2 | 137.8 | -105.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 302 | S | 44.3 | Very low | 42.8 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -103.9 | 142.2 | 173.5 | -176.6 | 0 | 0 | 0 | 0 | 110 | H304 | S302-H304 PolarHBondContact O-N 2.83Š|
| 303 | P | 52.3 | Low | 43.9 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | trans | -80.1 | 90.4 | 162.6 | 19.3 | -5.4 | 0 | 0 | 0 | 109.5 | | |
| 304 | H | 36.4 | Very low | 44.9 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 68% | 0.676 | 77% | 0.767 | S | S | * | * | | | trans | -59.1 | 130.9 | 156.3 | -148.9 | -45.3 | 0 | 0 | 0 | 107.2 | S302 D306 | S302-H304 PolarHBondContact O-N 2.83Å; H304-D306 IonicContact CE1-OD1 3.12Å; H304-D306 PolarHBondContact CE1-OD1 3.12Å; H304-D306 IonicContact CE1-OD2 3.12Å; H304-D306 IonicContact CG-OD2 2.64Å; H304-D306 IonicContact ND1-OD1 3.59Å; H304-D306 PolarHBondContact ND1-OD1 2.88Å; H304-D306 VanDerWaalsContact ND1-OD1 3.12Å; H304-D306 IonicContact ND1-OD2 3.82Å; H304-D306 PolarHBondContact ND1-OD2 3.12Å; H304-D306 VanDerWaalsContact ND1-OD2 3.12Å; H304-D306 IonicContact NE2-OD1 2.88Å |
| 305 | R | 45 | Very low | 45.8 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | | | trans | -135.8 | 101.8 | 164.1 | -110.4 | -170.6 | 163 | -83.9 | -9.9 | 109.2 | D307 | R305-D307 IonicContact CZ-OD2 3.7Å; R305-D307 IonicContact NH1-OD1 2.65Å; R305-D307 PolarHBondContact NH1-OD1 3.29Å; R305-D307 IonicContact NH1-OD2 2.65Å; R305-D307 PolarHBondContact NH1-OD2 3.2Å |
| 306 | D | 43.8 | Very low | 46.2 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | | | trans | -73.5 | 116.5 | 164.5 | -45.9 | -80.7 | 0 | 0 | 0 | 106.8 | H304 | H304-D306 IonicContact CE1-OD1 3.12Å; H304-D306 PolarHBondContact CE1-OD1 3.12Å; H304-D306 IonicContact CE1-OD2 3.12Å; H304-D306 IonicContact CG-OD2 2.64Å; H304-D306 IonicContact ND1-OD1 3.59Å; H304-D306 PolarHBondContact ND1-OD1 2.88Å; H304-D306 VanDerWaalsContact ND1-OD1 3.12Å; H304-D306 IonicContact ND1-OD2 3.82Å; H304-D306 PolarHBondContact ND1-OD2 3.12Å; H304-D306 VanDerWaalsContact ND1-OD2 3.12Å; H304-D306 IonicContact NE2-OD1 2.88Å |
| 307 | D | 47.3 | Very low | 47.2 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 56% | 0.556 | 76% | 0.763 | S | S | * | * | | | trans | -135.9 | 90 | 167.1 | -77.3 | -68.9 | 0 | 0 | 0 | 103.7 | R305 F309 | R305-D307 IonicContact CZ-OD2 3.7Å; R305-D307 IonicContact NH1-OD1 2.65Å; R305-D307 PolarHBondContact NH1-OD1 3.29Å; R305-D307 IonicContact NH1-OD2 2.65Å; R305-D307 PolarHBondContact NH1-OD2 3.2Å; D307-F309 WeakPolarHBondContact O-CD2 3.44Å; D307-F309 PolarHBondContact O-N 3.22Å |
| 308 | D | 44.3 | Very low | 48.2 | Very low | 138 Ų | 138 | 150 Ų | 150 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | -66 | 115.3 | -167.3 | -59.6 | -77.3 | 0 | 0 | 0 | 112.2 | D310 | D308-D310 PolarHBondContact O-N 3.02Š|
| 309 | F | 42.5 | Very low | 48.9 | Very low | 204 Ų | 204 | 151.1 Ų | 151.1 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | | | trans | -87.4 | 81 | 169 | -80.2 | -86.5 | 0 | 0 | 0 | 109.6 | D307 F311 | D307-F309 WeakPolarHBondContact O-CD2 3.44Å; D307-F309 PolarHBondContact O-N 3.22Å; F309-F311 PolarHBondContact O-N 3.27Å |
| 310 | D | 52.3 | Low | 49.7 | Very low | 129 Ų | 129 | 152 Ų | 152 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | | | trans | -52.4 | 124.7 | 175.5 | -87.1 | -39.8 | 0 | 0 | 0 | 111.5 | D308 M312 | D308-D310 PolarHBondContact O-N 3.02Å; D310-M312 HydrophobicContact CB-CE 4.45Å; D310-M312 PolarHBondContact O-N 3.28Å |
| 311 | F | 43.4 | Very low | 50.5 | Low | 171 Ų | 171 | 151.2 Ų | 151.2 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | | | trans | -74.4 | 90.3 | 173.2 | 179.8 | -97.9 | 0 | 0 | 0 | 108.7 | F309 D313 | F309-F311 PolarHBondContact O-N 3.27Å; F311-D313 VanDerWaalsContact CE1-OD1 3.29Å; F311-D313 WeakPolarHBondContact CE1-OD1 3.45Å; F311-D313 WeakPolarHBondContact CE1-OD2 3.29Å; F311-D313 PolarHBondContact O-N 3.49Å; F311-D313 VanDerWaalsContact O-N 3.12Å |
| 312 | M | 58.5 | Low | 51 | Low | 160 Ų | 160 | 152.5 Ų | 152.5 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | | | trans | -75 | 97.1 | 173.6 | -75.2 | -71.3 | 166.8 | 0 | 0 | 110.1 | D310 Q314 | D310-M312 HydrophobicContact CB-CE 4.45Å; D310-M312 PolarHBondContact O-N 3.28Å; M312-Q314 PolarHBondContact O-N 2.64Å |
| 313 | D | 55.8 | Low | 51.3 | Low | 126 Ų | 126 | 155 Ų | 155 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | | | trans | -58.5 | 118.9 | 160.3 | -88.1 | -50.1 | 0 | 0 | 0 | 109.8 | F311 | F311-D313 VanDerWaalsContact CE1-OD1 3.29Å; F311-D313 WeakPolarHBondContact CE1-OD1 3.45Å; F311-D313 WeakPolarHBondContact CE1-OD2 3.29Å; F311-D313 PolarHBondContact O-N 3.49Å; F311-D313 VanDerWaalsContact O-N 3.12Å |
| 314 | Q | 55.7 | Low | 51.3 | Low | 173 Ų | 173 | 156.8 Ų | 156.8 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | trans | -153.1 | 76.9 | 165.6 | -162.4 | 104.9 | 96.5 | 0 | 0 | 104.3 | M312 | M312-Q314 PolarHBondContact O-N 2.64Š|
| 315 | E | 51.4 | Low | 52.1 | Low | 156 Ų | 156 | 157.5 Ų | 157.5 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | | | | 55.7 | 109.3 | 78.7 | -164.3 | 169.3 | -118.2 | 0 | 0 | 111 | | |
| 316 | D | 55.5 | Low | 52.6 | Low | 141 Ų | 141 | 155.3 Ų | 155.3 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | 48.7 | 125.7 | 165.3 | -61.5 | -12 | 0 | 0 | 0 | 120.9 | | |
| 317 | D | 57.9 | Low | 53.2 | Low | 166 Ų | 166 | 158.8 Ų | 158.8 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | | -157.8 | 112.6 | 115.2 | -115.8 | -21 | 0 | 0 | 0 | 113.8 | | |
| 318 | E | 62.2 | Low | 53.6 | Low | 124 Ų | 124 | 162.7 Ų | 162.7 | 58% | 0.579 | 80% | 0.802 | S | S | * | * | | | trans | 35.2 | 99 | 151.6 | -149 | 175.6 | -132.7 | 0 | 0 | 121.7 | R320 | E318-R320 HydrophobicContact CG-CG 4.14Å; E318-R320 PolarHBondContact O-N 3.3Å; E318-R320 IonicContact OE2-CZ 3.07Å; E318-R320 IonicContact OE2-NE 2.7Å; E318-R320 PolarHBondContact OE2-NE 3.12Å; E318-R320 IonicContact OE2-NH2 2.72Å; E318-R320 PolarHBondContact OE2-NH2 2.7Å |
| 319 | I | 54.4 | Low | 54.3 | Low | 166 Ų | 166 | 164.6 Ų | 164.6 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -65.7 | 124.4 | 150.6 | 35.4 | 168.5 | 0 | 0 | 0 | 110.9 | | |
| 320 | R | 56.8 | Low | 55.3 | Low | 211 Ų | 211 | 161.3 Ų | 161.3 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | trans | -104.4 | 136.3 | 167.8 | -67 | -173.8 | -179.4 | 166.3 | 6.1 | 110.8 | E318 | E318-R320 HydrophobicContact CG-CG 4.14Å; E318-R320 PolarHBondContact O-N 3.3Å; E318-R320 IonicContact OE2-CZ 3.07Å; E318-R320 IonicContact OE2-NE 2.7Å; E318-R320 PolarHBondContact OE2-NE 3.12Å; E318-R320 IonicContact OE2-NH2 2.72Å; E318-R320 PolarHBondContact OE2-NH2 2.7Å |
| 321 | V | 59.9 | Low | 55.6 | Low | 213 Ų | 213 | 164.3 Ų | 164.3 | 100% | 1.291 | 81% | 0.81 | S | S | * | * | | | trans | -89.6 | 0 | -174.6 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | | |