| 1 | M | 42.1 | Very low | 50.1 | Low | 241 Ų | 241 | 169.2 Ų | 169.2 | 100% | 1.187 | 81% | 0.808 | S | S | * | * | | | | 0 | 105.5 | 0 | -163.2 | 173.5 | -81.7 | 0 | 0 | 104.9 | | |
| 2 | E | 47.3 | Very low | 50.3 | Low | 185 Ų | 185 | 165.5 Ų | 165.5 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -79.7 | 123.4 | -168.9 | -160.1 | -176.8 | 158.4 | 0 | 0 | 109.4 | M4 | E2-M4 PolarHBondContact O-N 3.15Å; E2-M4 VanDerWaalsContact O-N 3.16Å |
| 3 | E | 50 | Low | 50.9 | Low | 185 Ų | 185 | 164.1 Ų | 164.1 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -70.3 | 107.8 | -175.2 | -63 | -120.5 | 133.7 | 0 | 0 | 110.4 | K5 | E3-K5 VanDerWaalsContact C-N 3.34Å; E3-K5 PolarHBondContact O-N 2.89Å |
| 4 | M | 53.8 | Low | 51.7 | Low | 183 Ų | 183 | 157.1 Ų | 157.1 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | | | trans | -70.3 | 91.9 | 172.9 | -62.8 | 134.2 | 171.1 | 0 | 0 | 109 | E2 K6 | E2-M4 PolarHBondContact O-N 3.15Å; E2-M4 VanDerWaalsContact O-N 3.16Å; M4-K6 VanDerWaalsContact C-N 3.27Å; M4-K6 PolarHBondContact O-N 2.9Å |
| 5 | K | 56.7 | Low | 53.2 | Low | 190 Ų | 190 | 160.7 Ų | 160.7 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -58.1 | 91.1 | 165.4 | 55.1 | -166.3 | 172.8 | -168 | 0 | 109.6 | E3 T7 | E3-K5 VanDerWaalsContact C-N 3.34Å; E3-K5 PolarHBondContact O-N 2.89Å; K5-T7 VanDerWaalsContact C-N 3.26Å; K5-T7 PolarHBondContact O-N 3.45Å |
| 6 | K | 47.5 | Very low | 55.1 | Low | 190 Ų | 190 | 157.1 Ų | 157.1 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | | | trans | -65.9 | 87.9 | 171.7 | -174.5 | 175.3 | 178.4 | 177.8 | 0 | 107.8 | M4 D8 | M4-K6 VanDerWaalsContact C-N 3.27Å; M4-K6 PolarHBondContact O-N 2.9Å; K6-D8 PolarHBondContact O-N 3.1Å |
| 7 | T | 51 | Low | 57.2 | Low | 108 Ų | 108 | 158.5 Ų | 158.5 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | | | trans | -67.3 | 104.1 | 164.5 | 46.7 | 0 | 0 | 0 | 0 | 106.3 | K5 I9 | K5-T7 VanDerWaalsContact C-N 3.26Å; K5-T7 PolarHBondContact O-N 3.45Å; T7-I9 PolarHBondContact O-N 3.41Å |
| 8 | D | 43.6 | Very low | 59.3 | Low | 137 Ų | 137 | 152.3 Ų | 152.3 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | | | trans | -64.9 | 85.3 | 166.5 | -171.8 | 45.8 | 0 | 0 | 0 | 106.6 | K6 R10 | K6-D8 PolarHBondContact O-N 3.1Å; D8-R10 PolarHBondContact O-N 3.4Å |
| 9 | I | 54.3 | Low | 61.1 | Low | 132 Ų | 132 | 148.8 Ų | 148.8 | 68% | 0.677 | 74% | 0.735 | S | S | * | * | | | trans | -68.2 | 88 | 168.7 | -60.7 | 174.7 | 0 | 0 | 0 | 104.6 | T7 M11 | T7-I9 PolarHBondContact O-N 3.41Å; I9-M11 PolarHBondContact O-N 3.1Å |
| 10 | R | 59.2 | Low | 62.8 | Low | 159 Ų | 159 | 147.2 Ų | 147.2 | 60% | 0.6 | 72% | 0.723 | S | S | * | * | | | trans | -52.8 | 102.3 | 174.5 | 179.1 | 170.9 | 167 | -97.5 | 4.4 | 107.4 | D8 | D8-R10 PolarHBondContact O-N 3.4Š|
| 11 | M | 45.3 | Very low | 64.4 | Low | 151 Ų | 151 | 143.1 Ų | 143.1 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | | | trans | -45.7 | 142.2 | 175.6 | -68.5 | -69.5 | 178.4 | 0 | 0 | 109.7 | I9 K13 | I9-M11 PolarHBondContact O-N 3.1Å; M11-K13 PolarHBondContact O-N 2.99Å |
| 12 | P | 52.3 | Low | 67.1 | Low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 67% | 0.666 | S | S | * | * | | | trans | -59.2 | 103.9 | -177.1 | 22.7 | -30.8 | 0 | 0 | 0 | 108.6 | G14 | P12-G14 PolarHBondContact O-N 3.03Š|
| 13 | K | 58.7 | Low | 69.5 | Low | 147 Ų | 147 | 135.9 Ų | 135.9 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | | | trans | -53.4 | 117.7 | 177.9 | -150.3 | 90.2 | 174 | 178 | 0 | 105.4 | M11 Q16 | M11-K13 PolarHBondContact O-N 2.99Å; K13-Q16 HydrophobicContact CB-CG 4.35Å |
| 14 | G | 62.5 | Low | 71.6 | Confident | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -45.6 | 144.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P12 Q16 | P12-G14 PolarHBondContact O-N 3.03Å; G14-Q16 PolarHBondContact O-N 2.94Å |
| 15 | K | 73.8 | Confident | 73.6 | Confident | 211 Ų | 211 | 128.8 Ų | 128.8 | 92% | 0.917 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -0.8 | 86.2 | -177 | -62.7 | -179.2 | -177.9 | -179.4 | 0 | 112.6 | K17 | K15-K17 PolarHBondContact O-N 2.87Š|
| 16 | Q | 83.2 | Confident | 75.5 | Confident | 102 Ų | 102 | 131 Ų | 131 | 48% | 0.477 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 132.5 | -179.8 | -89.2 | -172.4 | -59.2 | 0 | 0 | 108.8 | K13 G14 Y32 | K13-Q16 HydrophobicContact CB-CG 4.35Å; G14-Q16 PolarHBondContact O-N 2.94Å; Q16-Y32 VanDerWaalsContact O-CE1 3.24Å; Q16-Y32 WeakPolarHBondContact O-CE1 3.43Å |
| 17 | K | 91.6 | Very high | 77.8 | Confident | 182 Ų | 182 | 125 Ų | 125 | 79% | 0.791 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 146.6 | 172.1 | -68.2 | -178.1 | 177.8 | -179.5 | 0 | 108.8 | K15 I19 | K15-K17 PolarHBondContact O-N 2.87Å; K17-I19 PolarHBondContact O-N 2.87Å |
| 18 | P | 93.9 | Very high | 80 | Confident | 46 Ų | 46 | 122.3 Ų | 122.3 | 30% | 0.299 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 137 | 170.6 | -19.4 | 28.7 | 0 | 0 | 0 | 110.1 | F30 T31 Y32 | P18-F30 HydrophobicContact CB-CB 4Å; P18-F30 HydrophobicContact CB-CD1 3.86Å; P18-F30 HydrophobicContact CB-CG 4.39Å; P18-F30 HydrophobicContact CG-CB 3.99Å; P18-F30 HydrophobicContact CG-CD1 3.54Å; P18-F30 HydrophobicContact CG-CE1 4.37Å; P18-F30 HydrophobicContact CG-CG 4.07Å; P18-T31 CarbonylContact C-O 3.54Å; P18-Y32 HydrophobicContact CB-CE1 4.16Å; P18-Y32 HydrophobicContact CG-CE1 3.72Å |
| 19 | I | 93.7 | Very high | 82.6 | Confident | 87 Ų | 87 | 119.4 Ų | 119.4 | 45% | 0.446 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -82.1 | -34.6 | 176.7 | -57.6 | 177.5 | 0 | 0 | 0 | 109.9 | K17 T31 Y32 Q34 | K17-I19 PolarHBondContact O-N 2.87Å; I19-T31 PolarHBondContact N-O 2.78Å; I19-Y32 VanDerWaalsContact CD1-O 3.24Å; I19-Y32 WeakPolarHBondContact CD1-O 3.32Å; I19-Q34 HydrophobicContact CD1-CB 4.24Å; I19-Q34 VanDerWaalsContact CG2-OE1 3.26Å |
| 20 | K | 95.7 | Very high | 84.6 | Confident | 115 Ų | 115 | 118.2 Ų | 118.2 | 50% | 0.5 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.7 | 142.5 | 174.4 | -166 | -176.6 | -178.5 | -163.3 | 0 | 110.1 | E22 T31 | K20-E22 HydrophobicContact CD-CG 4.26Å; K20-E22 VanDerWaalsContact CD-OE1 3.26Å; K20-E22 WeakPolarHBondContact CD-OE1 3.27Å; K20-E22 WeakPolarHBondContact CE-OE1 3.28Å; K20-E22 HydrophobicContact CG-CG 4.28Å; K20-E22 IonicContact NZ-OE1 2.75Å; K20-E22 PolarHBondContact NZ-OE1 3.03Å; K20-T31 PolarHBondContact N-O 3.48Å; K20-T31 PolarHBondContact O-N 2.83Å |
| 21 | T | 96.8 | Very high | 86.4 | Confident | 62 Ų | 62 | 112 Ų | 112 | 38% | 0.38 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.9 | 172.5 | -55.6 | 0 | 0 | 0 | 0 | 109 | V28 L29 F30 | T21-V28 HydrophobicContact CG2-CG1 3.62Å; T21-L29 CarbonylContact C-O 3.54Å; T21-L29 VanDerWaalsContact CA-O 3.27Å; T21-L29 WeakPolarHBondContact CA-O 3.49Å; T21-F30 HydrophobicContact CG2-CD1 3.7Å; T21-F30 HydrophobicContact CG2-CE1 3.42Å; T21-F30 VanDerWaalsContact CG2-CE1 3.42Å; T21-F30 HydrophobicContact CG2-CZ 4.21Å; T21-F30 WeakPolarHBondContact OG1-CD1 3.29Å |
| 22 | E | 97.1 | Very high | 88.8 | Confident | 71 Ų | 71 | 110.5 Ų | 110.5 | 33% | 0.332 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.8 | 179.5 | -62.6 | 175 | -141.7 | 0 | 0 | 109.8 | K20 V28 L29 | K20-E22 HydrophobicContact CD-CG 4.26Å; K20-E22 VanDerWaalsContact CD-OE1 3.26Å; K20-E22 WeakPolarHBondContact CD-OE1 3.27Å; K20-E22 WeakPolarHBondContact CE-OE1 3.28Å; K20-E22 HydrophobicContact CG-CG 4.28Å; K20-E22 IonicContact NZ-OE1 2.75Å; K20-E22 PolarHBondContact NZ-OE1 3.03Å; E22-V28 CarbonylContact O-C 3.59Å; E22-V28 WeakPolarHBondContact O-CA 3.48Å; E22-L29 HydrophobicContact CB-CB 4.27Å; E22-L29 PolarHBondContact N-O 3.26Å; E22-L29 PolarHBondContact O-N 2.92Å |
| 23 | W | 98 | Very high | 90.8 | Very high | 203 Ų | 203 | 108.4 Ų | 108.4 | 77% | 0.769 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 120.3 | -179.2 | -64.1 | 72.4 | 0 | 0 | 0 | 109.1 | V28 | W23-V28 HydrophobicContact CD2-CG1 4.15Å; W23-V28 HydrophobicContact CD2-CG2 3.83Å; W23-V28 HydrophobicContact CE3-CG2 3.45Å; W23-V28 VanDerWaalsContact CE3-CG2 3.45Å; W23-V28 HydrophobicContact CG-CG1 4.43Å; W23-V28 HydrophobicContact CG-CG2 4.49Å; W23-V28 HydrophobicContact CH2-CG2 4.29Å; W23-V28 HydrophobicContact CZ2-CG1 4.49Å; W23-V28 HydrophobicContact CZ3-CG2 3.71Å |
| 24 | N | 94.5 | Very high | 92.5 | Very high | 88 Ų | 88 | 108.5 Ų | 108.5 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | | | trans | -107.6 | 163.4 | 170 | -68 | -81.9 | 0 | 0 | 0 | 109 | R26 C27 | N24-R26 PolarHBondContact O-N 2.94Å; N24-C27 WeakPolarHBondContact CA-O 3.49Å; N24-C27 WeakPolarHBondContact CB-O 3.24Å; N24-C27 PolarHBondContact N-O 3.12Å; N24-C27 PolarHBondContact O-N 3Å; N24-C27 VanDerWaalsContact O-O 3.11Å |
| 25 | S | 96.1 | Very high | 94 | Very high | 132 Ų | 132 | 107.6 Ų | 107.6 | 92% | 0.923 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -57.6 | -22.7 | 180 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 26 | R | 96.9 | Very high | 95.1 | Very high | 236 Ų | 236 | 103.3 Ų | 103.3 | 89% | 0.891 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -118.9 | -11.8 | -176.8 | -59.3 | -178.4 | 70.7 | 173.9 | 2.5 | 114.6 | N24 | N24-R26 PolarHBondContact O-N 2.94Š|
| 27 | C | 95.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 103.9 Ų | 103.9 | 43% | 0.426 | 52% | 0.516 | S | S | . | . | | | trans | -158.5 | 160.3 | -174.2 | 59 | 0 | 0 | 0 | 0 | 113 | N24 L29 | N24-C27 WeakPolarHBondContact CA-O 3.49Å; N24-C27 WeakPolarHBondContact CB-O 3.24Å; N24-C27 PolarHBondContact N-O 3.12Å; N24-C27 PolarHBondContact O-N 3Å; N24-C27 VanDerWaalsContact O-O 3.11Å; C27-L29 HydrophobicContact CB-CD1 4.34Å; C27-L29 WeakPolarHBondContact SG-CD1 3.32Å |
| 28 | V | 97.7 | Very high | 96 | Very high | 53 Ų | 53 | 99.2 Ų | 99.2 | 32% | 0.321 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.9 | 172 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | T21 E22 W23 F30 | T21-V28 HydrophobicContact CG2-CG1 3.62Å; E22-V28 CarbonylContact O-C 3.59Å; E22-V28 WeakPolarHBondContact O-CA 3.48Å; W23-V28 HydrophobicContact CD2-CG1 4.15Å; W23-V28 HydrophobicContact CD2-CG2 3.83Å; W23-V28 HydrophobicContact CE3-CG2 3.45Å; W23-V28 VanDerWaalsContact CE3-CG2 3.45Å; W23-V28 HydrophobicContact CG-CG1 4.43Å; W23-V28 HydrophobicContact CG-CG2 4.49Å; W23-V28 HydrophobicContact CH2-CG2 4.29Å; W23-V28 HydrophobicContact CZ2-CG1 4.49Å; W23-V28 HydrophobicContact CZ3-CG2 3.71Å; V28-F30 HydrophobicContact CB-CE2 4.17Å; V28-F30 HydrophobicContact CB-CZ 4.35Å; V28-F30 HydrophobicContact CG1-CD2 4.43Å; V28-F30 HydrophobicContact CG1-CE1 4.05Å; V28-F30 HydrophobicContact CG1-CE2 3.76Å; V28-F30 HydrophobicContact CG1-CZ 3.55Å |
| 29 | L | 97.2 | Very high | 96.1 | Very high | 76 Ų | 76 | 100.4 Ų | 100.4 | 40% | 0.398 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 129.7 | 179.1 | -80.9 | 64.3 | 0 | 0 | 0 | 109 | T21 E22 C27 | T21-L29 CarbonylContact C-O 3.54Å; T21-L29 VanDerWaalsContact CA-O 3.27Å; T21-L29 WeakPolarHBondContact CA-O 3.49Å; E22-L29 HydrophobicContact CB-CB 4.27Å; E22-L29 PolarHBondContact N-O 3.26Å; E22-L29 PolarHBondContact O-N 2.92Å; C27-L29 HydrophobicContact CB-CD1 4.34Å; C27-L29 WeakPolarHBondContact SG-CD1 3.32Å |
| 30 | F | 96.9 | Very high | 96.3 | Very high | 107 Ų | 107 | 98.5 Ų | 98.5 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.7 | 175.6 | -63 | -76.7 | 0 | 0 | 0 | 109.6 | P18 T21 V28 Y32 | P18-F30 HydrophobicContact CB-CB 4Å; P18-F30 HydrophobicContact CB-CD1 3.86Å; P18-F30 HydrophobicContact CB-CG 4.39Å; P18-F30 HydrophobicContact CG-CB 3.99Å; P18-F30 HydrophobicContact CG-CD1 3.54Å; P18-F30 HydrophobicContact CG-CE1 4.37Å; P18-F30 HydrophobicContact CG-CG 4.07Å; T21-F30 HydrophobicContact CG2-CD1 3.7Å; T21-F30 HydrophobicContact CG2-CE1 3.42Å; T21-F30 VanDerWaalsContact CG2-CE1 3.42Å; T21-F30 HydrophobicContact CG2-CZ 4.21Å; T21-F30 WeakPolarHBondContact OG1-CD1 3.29Å; V28-F30 HydrophobicContact CB-CE2 4.17Å; V28-F30 HydrophobicContact CB-CZ 4.35Å; V28-F30 HydrophobicContact CG1-CD2 4.43Å; V28-F30 HydrophobicContact CG1-CE1 4.05Å; V28-F30 HydrophobicContact CG1-CE2 3.76Å; V28-F30 HydrophobicContact CG1-CZ 3.55Å; F30-Y32 HydrophobicContact CB-CE2 3.79Å |
| 31 | T | 96.4 | Very high | 96.4 | Very high | 29 Ų | 29 | 95.8 Ų | 95.8 | 18% | 0.178 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.4 | 180 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | P18 I19 K20 F33 | P18-T31 CarbonylContact C-O 3.54Å; I19-T31 PolarHBondContact N-O 2.78Å; K20-T31 PolarHBondContact N-O 3.48Å; K20-T31 PolarHBondContact O-N 2.83Å; T31-F33 HydrophobicContact CG2-CD1 3.71Å; T31-F33 HydrophobicContact CG2-CD2 4.21Å; T31-F33 HydrophobicContact CG2-CE1 3.47Å; T31-F33 VanDerWaalsContact CG2-CE1 3.47Å; T31-F33 HydrophobicContact CG2-CE2 4Å; T31-F33 HydrophobicContact CG2-CG 4.05Å; T31-F33 HydrophobicContact CG2-CZ 3.6Å |
| 32 | Y | 96.4 | Very high | 96.4 | Very high | 119 Ų | 119 | 97.5 Ų | 97.5 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | | | trans | -109.2 | -7.9 | -177 | -64.3 | -92 | 0 | 0 | 0 | 113.7 | Q16 P18 I19 F30 | Q16-Y32 VanDerWaalsContact O-CE1 3.24Å; Q16-Y32 WeakPolarHBondContact O-CE1 3.43Å; P18-Y32 HydrophobicContact CB-CE1 4.16Å; P18-Y32 HydrophobicContact CG-CE1 3.72Å; I19-Y32 VanDerWaalsContact CD1-O 3.24Å; I19-Y32 WeakPolarHBondContact CD1-O 3.32Å; F30-Y32 HydrophobicContact CB-CE2 3.79Å |
| 33 | F | 94.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 98.6 Ų | 98.6 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | | | trans | -96.6 | 157.3 | 173.7 | 66.8 | -96.6 | 0 | 0 | 0 | 110.5 | T31 G35 I37 V40 | T31-F33 HydrophobicContact CG2-CD1 3.71Å; T31-F33 HydrophobicContact CG2-CD2 4.21Å; T31-F33 HydrophobicContact CG2-CE1 3.47Å; T31-F33 VanDerWaalsContact CG2-CE1 3.47Å; T31-F33 HydrophobicContact CG2-CE2 4Å; T31-F33 HydrophobicContact CG2-CG 4.05Å; T31-F33 HydrophobicContact CG2-CZ 3.6Å; F33-G35 WeakPolarHBondContact CE2-O 3.27Å; F33-I37 HydrophobicContact CE2-CG1 4.05Å; F33-I37 HydrophobicContact CZ-CG1 3.63Å; F33-V40 HydrophobicContact CB-CG1 4.02Å; F33-V40 HydrophobicContact CB-CG2 4.08Å; F33-V40 HydrophobicContact CD2-CB 4.3Å; F33-V40 HydrophobicContact CD2-CG1 4.44Å; F33-V40 HydrophobicContact CD2-CG2 3.67Å; F33-V40 HydrophobicContact CE2-CG2 4.44Å; F33-V40 HydrophobicContact CG-CB 4.45Å; F33-V40 HydrophobicContact CG-CG1 4.1Å; F33-V40 HydrophobicContact CG-CG2 4.06Å |
| 34 | Q | 94.3 | Very high | 96.3 | Very high | 148 Ų | 148 | 94.9 Ų | 94.9 | 69% | 0.692 | 50% | 0.504 | S | S | * | . | | | trans | -110.8 | 142.6 | 173.5 | -176.5 | 64.9 | 40.9 | 0 | 0 | 108.5 | I19 | I19-Q34 HydrophobicContact CD1-CB 4.24Å; I19-Q34 VanDerWaalsContact CG2-OE1 3.26Å |
| 35 | G | 93.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 96.1 Ų | 96.1 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | S | Bend | trans | 97.7 | -168.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F33 | F33-G35 WeakPolarHBondContact CE2-O 3.27Š|
| 36 | D | 96.9 | Very high | 96.4 | Very high | 121 Ų | 121 | 93.6 Ų | 93.6 | 65% | 0.647 | 49% | 0.488 | S | S | * | . | | | trans | -74.5 | 143.7 | -177.9 | -63.8 | -25.5 | 0 | 0 | 0 | 111.8 | S38 S39 V40 | D36-S38 VanDerWaalsContact C-N 3.3Å; D36-S38 PolarHBondContact O-N 3.22Å; D36-S39 PolarHBondContact O-N 2.78Å; D36-V40 PolarHBondContact O-N 2.91Å; D36-V40 VanDerWaalsContact O-N 3.17Å |
| 37 | I | 96.2 | Very high | 96.3 | Very high | 115 Ų | 115 | 90 Ų | 90 | 59% | 0.59 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57 | -47.3 | 179.5 | -64.1 | 163.3 | 0 | 0 | 0 | 110.1 | F33 S39 V40 V41 | F33-I37 HydrophobicContact CE2-CG1 4.05Å; F33-I37 HydrophobicContact CZ-CG1 3.63Å; I37-S39 VanDerWaalsContact C-N 3.34Å; I37-S39 PolarHBondContact O-N 2.76Å; I37-V40 PolarHBondContact O-N 3.04Å; I37-V41 HydrophobicContact CG2-CG2 3.97Å; I37-V41 VanDerWaalsContact O-CB 3.31Å; I37-V41 WeakPolarHBondContact O-CB 3.17Å; I37-V41 WeakPolarHBondContact O-CG2 3.31Å; I37-V41 PolarHBondContact O-N 2.69Å |
| 38 | S | 97.4 | Very high | 96.4 | Very high | 83 Ų | 83 | 90 Ų | 90 | 58% | 0.58 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57.3 | -46.8 | -178 | -51.4 | 0 | 0 | 0 | 0 | 111.6 | D36 V40 V41 D42 | D36-S38 VanDerWaalsContact C-N 3.3Å; D36-S38 PolarHBondContact O-N 3.22Å; S38-V40 PolarHBondContact O-N 2.9Å; S38-V41 PolarHBondContact O-N 2.97Å; S38-D42 WeakPolarHBondContact O-CB 3.5Å; S38-D42 PolarHBondContact O-N 3.44Å |
| 39 | S | 97 | Very high | 96.2 | Very high | 71 Ų | 71 | 92.2 Ų | 92.2 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 179.9 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | D36 I37 V41 D42 E43 | D36-S39 PolarHBondContact O-N 2.78Å; I37-S39 VanDerWaalsContact C-N 3.34Å; I37-S39 PolarHBondContact O-N 2.76Å; S39-V41 VanDerWaalsContact C-N 3.31Å; S39-V41 PolarHBondContact O-N 3.04Å; S39-D42 PolarHBondContact O-N 3.01Å; S39-E43 WeakPolarHBondContact O-CB 3.48Å; S39-E43 PolarHBondContact O-N 3.12Å |
| 40 | V | 97.1 | Very high | 95.8 | Very high | 47 Ų | 47 | 92.6 Ų | 92.6 | 29% | 0.285 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | F33 D36 I37 S38 H44 | F33-V40 HydrophobicContact CB-CG1 4.02Å; F33-V40 HydrophobicContact CB-CG2 4.08Å; F33-V40 HydrophobicContact CD2-CB 4.3Å; F33-V40 HydrophobicContact CD2-CG1 4.44Å; F33-V40 HydrophobicContact CD2-CG2 3.67Å; F33-V40 HydrophobicContact CE2-CG2 4.44Å; F33-V40 HydrophobicContact CG-CB 4.45Å; F33-V40 HydrophobicContact CG-CG1 4.1Å; F33-V40 HydrophobicContact CG-CG2 4.06Å; D36-V40 PolarHBondContact O-N 2.91Å; D36-V40 VanDerWaalsContact O-N 3.17Å; I37-V40 PolarHBondContact O-N 3.04Å; S38-V40 PolarHBondContact O-N 2.9Å; V40-H44 WeakPolarHBondContact O-CB 2.92Å; V40-H44 PolarHBondContact O-N 2.81Å |
| 41 | V | 97.2 | Very high | 95 | Very high | 59 Ų | 59 | 94 Ų | 94 | 36% | 0.358 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -47 | 176.1 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | I37 S38 S39 E43 H44 F45 | I37-V41 HydrophobicContact CG2-CG2 3.97Å; I37-V41 VanDerWaalsContact O-CB 3.31Å; I37-V41 WeakPolarHBondContact O-CB 3.17Å; I37-V41 WeakPolarHBondContact O-CG2 3.31Å; I37-V41 PolarHBondContact O-N 2.69Å; S38-V41 PolarHBondContact O-N 2.97Å; S39-V41 VanDerWaalsContact C-N 3.31Å; S39-V41 PolarHBondContact O-N 3.04Å; V41-E43 VanDerWaalsContact C-N 3.34Å; V41-E43 PolarHBondContact O-N 2.89Å; V41-H44 WeakPolarHBondContact O-CA 3.26Å; V41-H44 VanDerWaalsContact O-CB 3.31Å; V41-H44 WeakPolarHBondContact O-CB 3.5Å; V41-H44 PolarHBondContact O-N 2.88Å; V41-H44 VanDerWaalsContact O-N 3.09Å; V41-F45 HydrophobicContact CG1-CD2 3.55Å; V41-F45 HydrophobicContact CG1-CE2 3.37Å; V41-F45 WeakPolarHBondContact O-CD2 3.16Å; V41-F45 PolarHBondContact O-N 2.91Å |
| 42 | D | 96.9 | Very high | 94.2 | Very high | 97 Ų | 97 | 98.3 Ų | 98.3 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 178.8 | -71.9 | -10.3 | 0 | 0 | 0 | 112 | S38 S39 H44 F45 S46 | S38-D42 WeakPolarHBondContact O-CB 3.5Å; S38-D42 PolarHBondContact O-N 3.44Å; S39-D42 PolarHBondContact O-N 3.01Å; D42-H44 VanDerWaalsContact C-N 3.34Å; D42-F45 PolarHBondContact O-N 3.16Å; D42-S46 VanDerWaalsContact O-CB 3.26Å; D42-S46 WeakPolarHBondContact O-CB 3.45Å; D42-S46 PolarHBondContact O-N 3.05Å; D42-S46 PolarHBondContact O-OG 3.12Å |
| 43 | E | 96.7 | Very high | 92.9 | Very high | 95 Ų | 95 | 100.9 Ų | 100.9 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 172.1 | -179.4 | -175.4 | 116.9 | 0 | 0 | 111.2 | S39 V41 S46 R47 | S39-E43 WeakPolarHBondContact O-CB 3.48Å; S39-E43 PolarHBondContact O-N 3.12Å; V41-E43 VanDerWaalsContact C-N 3.34Å; V41-E43 PolarHBondContact O-N 2.89Å; E43-S46 PolarHBondContact O-N 2.91Å; E43-R47 WeakPolarHBondContact O-CB 3.17Å; E43-R47 VanDerWaalsContact O-CG 3.32Å; E43-R47 WeakPolarHBondContact O-CG 3.31Å; E43-R47 PolarHBondContact O-N 3.45Å; E43-R47 IonicContact OE1-CZ 2.86Å; E43-R47 IonicContact OE1-NE 2.64Å; E43-R47 IonicContact OE1-NH1 2.69Å; E43-R47 PolarHBondContact OE1-NH1 3.03Å; E43-R47 IonicContact OE1-NH2 3.86Å; E43-R47 PolarHBondContact OE1-NH2 2.85Å; E43-R47 IonicContact OE2-NH2 2.81Å |
| 44 | H | 96.8 | Very high | 91.5 | Very high | 124 Ų | 124 | 101.5 Ų | 101.5 | 57% | 0.574 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.3 | -47.9 | 176.9 | 175 | 81.9 | 0 | 0 | 0 | 111.5 | V40 V41 D42 R47 A48 | V40-H44 WeakPolarHBondContact O-CB 2.92Å; V40-H44 PolarHBondContact O-N 2.81Å; V41-H44 WeakPolarHBondContact O-CA 3.26Å; V41-H44 VanDerWaalsContact O-CB 3.31Å; V41-H44 WeakPolarHBondContact O-CB 3.5Å; V41-H44 PolarHBondContact O-N 2.88Å; V41-H44 VanDerWaalsContact O-N 3.09Å; D42-H44 VanDerWaalsContact C-N 3.34Å; H44-R47 PolarHBondContact O-N 2.79Å; H44-A48 PolarHBondContact O-N 2.95Å |
| 45 | F | 96.7 | Very high | 89.9 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.5 | -45.9 | 177.1 | -79.8 | -71.9 | 0 | 0 | 0 | 111.9 | V41 D42 R47 A48 L49 | V41-F45 HydrophobicContact CG1-CD2 3.55Å; V41-F45 HydrophobicContact CG1-CE2 3.37Å; V41-F45 WeakPolarHBondContact O-CD2 3.16Å; V41-F45 PolarHBondContact O-N 2.91Å; D42-F45 PolarHBondContact O-N 3.16Å; F45-R47 VanDerWaalsContact C-N 3.26Å; F45-R47 PolarHBondContact O-N 3Å; F45-A48 WeakPolarHBondContact O-CB 3.38Å; F45-A48 PolarHBondContact O-N 2.89Å; F45-L49 VanDerWaalsContact O-CG 3.29Å; F45-L49 WeakPolarHBondContact O-CG 3.24Å; F45-L49 PolarHBondContact O-N 3.07Å |
| 46 | S | 96.1 | Very high | 88 | Confident | 79 Ų | 79 | 105.5 Ų | 105.5 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.7 | -40.7 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | D42 E43 L49 S50 | D42-S46 VanDerWaalsContact O-CB 3.26Å; D42-S46 WeakPolarHBondContact O-CB 3.45Å; D42-S46 PolarHBondContact O-N 3.05Å; D42-S46 PolarHBondContact O-OG 3.12Å; E43-S46 PolarHBondContact O-N 2.91Å; S46-L49 PolarHBondContact O-N 2.84Å; S46-S50 WeakPolarHBondContact O-CA 3.24Å; S46-S50 VanDerWaalsContact O-CB 3.27Å; S46-S50 WeakPolarHBondContact O-CB 3.4Å; S46-S50 PolarHBondContact O-N 3.06Å |
| 47 | R | 96.1 | Very high | 85.8 | Confident | 161 Ų | 161 | 108.1 Ų | 108.1 | 61% | 0.608 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67 | -38 | 174.2 | -76.1 | 177.6 | 175.7 | 152.1 | 10.2 | 113.4 | E43 H44 F45 L49 S50 | E43-R47 WeakPolarHBondContact O-CB 3.17Å; E43-R47 VanDerWaalsContact O-CG 3.32Å; E43-R47 WeakPolarHBondContact O-CG 3.31Å; E43-R47 PolarHBondContact O-N 3.45Å; E43-R47 IonicContact OE1-CZ 2.86Å; E43-R47 IonicContact OE1-NE 2.64Å; E43-R47 IonicContact OE1-NH1 2.69Å; E43-R47 PolarHBondContact OE1-NH1 3.03Å; E43-R47 IonicContact OE1-NH2 3.86Å; E43-R47 PolarHBondContact OE1-NH2 2.85Å; E43-R47 IonicContact OE2-NH2 2.81Å; H44-R47 PolarHBondContact O-N 2.79Å; F45-R47 VanDerWaalsContact C-N 3.26Å; F45-R47 PolarHBondContact O-N 3Å; R47-L49 VanDerWaalsContact C-N 3.3Å; R47-S50 PolarHBondContact O-OG 3.29Å |
| 48 | A | 95.8 | Very high | 83.5 | Confident | 61 Ų | 61 | 110.5 Ų | 110.5 | 50% | 0.504 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.9 | -36 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H44 F45 | H44-A48 PolarHBondContact O-N 2.95Å; F45-A48 WeakPolarHBondContact O-CB 3.38Å; F45-A48 PolarHBondContact O-N 2.89Å |
| 49 | L | 93.5 | Very high | 81.2 | Confident | 101 Ų | 101 | 112.1 Ų | 112.1 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -93.2 | -12.9 | -176 | -56.2 | 177.6 | 0 | 0 | 0 | 113.7 | F45 S46 R47 N51 I52 | F45-L49 VanDerWaalsContact O-CG 3.29Å; F45-L49 WeakPolarHBondContact O-CG 3.24Å; F45-L49 PolarHBondContact O-N 3.07Å; S46-L49 PolarHBondContact O-N 2.84Å; R47-L49 VanDerWaalsContact C-N 3.3Å; L49-N51 PolarHBondContact O-N 2.8Å; L49-N51 VanDerWaalsContact O-N 3.12Å; L49-I52 HydrophobicContact CB-CD1 4.35Å; L49-I52 HydrophobicContact CD2-CD1 3.43Å; L49-I52 VanDerWaalsContact CD2-CD1 3.43Å; L49-I52 HydrophobicContact CG-CD1 4.48Å; L49-I52 WeakPolarHBondContact O-CB 3.49Å; L49-I52 PolarHBondContact O-N 3.4Å |
| 50 | S | 89.6 | Confident | 78.8 | Confident | 83 Ų | 83 | 115.1 Ų | 115.1 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -26.4 | -174.5 | 62.8 | 0 | 0 | 0 | 0 | 114.4 | S46 R47 | S46-S50 WeakPolarHBondContact O-CA 3.24Å; S46-S50 VanDerWaalsContact O-CB 3.27Å; S46-S50 WeakPolarHBondContact O-CB 3.4Å; S46-S50 PolarHBondContact O-N 3.06Å; R47-S50 PolarHBondContact O-OG 3.29Å |
| 51 | N | 79.6 | Confident | 76.6 | Confident | 138 Ų | 138 | 117.8 Ų | 117.8 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -1.5 | 179.7 | -67 | -35.4 | 0 | 0 | 0 | 113.5 | L49 K53 | L49-N51 PolarHBondContact O-N 2.8Å; L49-N51 VanDerWaalsContact O-N 3.12Å; N51-K53 PolarHBondContact O-N 3.15Å |
| 52 | I | 80.3 | Confident | 74 | Confident | 118 Ų | 118 | 120.5 Ų | 120.5 | 61% | 0.605 | 66% | 0.663 | S | S | * | * | | | trans | -76.6 | 80.7 | 168.9 | -52.6 | 176.8 | 0 | 0 | 0 | 105.5 | L49 S54 | L49-I52 HydrophobicContact CB-CD1 4.35Å; L49-I52 HydrophobicContact CD2-CD1 3.43Å; L49-I52 VanDerWaalsContact CD2-CD1 3.43Å; L49-I52 HydrophobicContact CG-CD1 4.48Å; L49-I52 WeakPolarHBondContact O-CB 3.49Å; L49-I52 PolarHBondContact O-N 3.4Å; I52-S54 PolarHBondContact O-N 3.2Å; I52-S54 VanDerWaalsContact O-N 3.12Å |
| 53 | K | 69 | Low | 71.8 | Confident | 173 Ų | 173 | 125.1 Ų | 125.1 | 75% | 0.752 | 68% | 0.681 | S | S | * | * | | | trans | -48 | 124 | 166.9 | -62.7 | 173.8 | -179.3 | 179.4 | 0 | 105.7 | N51 | N51-K53 PolarHBondContact O-N 3.15Š|
| 54 | S | 64.8 | Low | 69.5 | Low | 95 Ų | 95 | 126.1 Ų | 126.1 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | | | trans | -47.3 | 135.7 | 159.4 | 56.6 | 0 | 0 | 0 | 0 | 105.9 | I52 Q56 | I52-S54 PolarHBondContact O-N 3.2Å; I52-S54 VanDerWaalsContact O-N 3.12Å; S54-Q56 VanDerWaalsContact C-N 3.3Å; S54-Q56 PolarHBondContact O-N 3.17Å |
| 55 | P | 61 | Low | 67.1 | Low | 125 Ų | 125 | 128.7 Ų | 128.7 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | | | trans | -50.2 | 107.8 | 177.3 | 19.2 | -29.5 | 0 | 0 | 0 | 105.8 | E57 | P55-E57 PolarHBondContact O-N 3.35Š|
| 56 | Q | 53.5 | Low | 65 | Low | 154 Ų | 154 | 128.6 Ų | 128.6 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | | | trans | -53 | 118.1 | -174.8 | 178.2 | 166.5 | 4.8 | 0 | 0 | 104.3 | S54 L58 | S54-Q56 VanDerWaalsContact C-N 3.3Å; S54-Q56 PolarHBondContact O-N 3.17Å; Q56-L58 PolarHBondContact O-N 2.91Å |
| 57 | E | 51.3 | Low | 62.7 | Low | 177 Ų | 177 | 130.7 Ų | 130.7 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | | | trans | -43.8 | 111.8 | 176.6 | -71.2 | -169 | 147.6 | 0 | 0 | 106.4 | P55 T59 | P55-E57 PolarHBondContact O-N 3.35Å; E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.41Å |
| 58 | L | 47.8 | Very low | 60.3 | Low | 165 Ų | 165 | 131.3 Ų | 131.3 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | | | trans | -61.1 | 100.8 | -176.3 | -67.4 | 171.6 | 0 | 0 | 0 | 105.9 | Q56 P60 | Q56-L58 PolarHBondContact O-N 2.91Å; L58-P60 WeakPolarHBondContact O-CD 3.35Å; L58-P60 VanDerWaalsContact O-N 3.14Å |
| 59 | T | 48.8 | Very low | 58 | Low | 117 Ų | 117 | 136 Ų | 136 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | | | trans | -48.2 | 120.1 | 160.9 | 43.4 | 0 | 0 | 0 | 0 | 106.8 | E57 S61 | E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.41Å; T59-S61 VanDerWaalsContact C-N 3.29Å; T59-S61 PolarHBondContact O-N 3.39Å |
| 60 | P | 46.9 | Very low | 55.7 | Low | 134 Ų | 134 | 138.7 Ų | 138.7 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | | | trans | -79.1 | 84.7 | -175 | 32.2 | -31.9 | 0 | 0 | 0 | 107.6 | L58 | L58-P60 WeakPolarHBondContact O-CD 3.35Å; L58-P60 VanDerWaalsContact O-N 3.14Å |
| 61 | S | 50.3 | Low | 53.8 | Low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | trans | -156.8 | 90 | 168.5 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | T59 | T59-S61 VanDerWaalsContact C-N 3.29Å; T59-S61 PolarHBondContact O-N 3.39Å |
| 62 | S | 42.7 | Very low | 52.2 | Low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | | 144 | 126.4 | 119.7 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 63 | Q | 50.8 | Low | 51 | Low | 194 Ų | 194 | 142.1 Ų | 142.1 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | | | trans | -55.2 | 130.1 | -178.9 | -67.6 | 164.8 | -29.5 | 0 | 0 | 111.5 | | |
| 64 | S | 48.4 | Very low | 50.4 | Low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | | -178.7 | 130.8 | 124.1 | 38.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 65 | E | 47 | Very low | 50 | Low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | 66 | 97.2 | 159.2 | -146.8 | 159.6 | -164.7 | 0 | 0 | 118.3 | V67 | E65-V67 VanDerWaalsContact C-N 3.34Å; E65-V67 PolarHBondContact O-N 3.09Å |
| 66 | S | 51.5 | Low | 49.9 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | trans | -62.3 | 89.5 | 165.5 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | M68 | S66-M68 PolarHBondContact O-N 3.42Å; S66-M68 VanDerWaalsContact O-N 3.15Å |
| 67 | V | 48.8 | Very low | 50.2 | Low | 123 Ų | 123 | 135.1 Ų | 135.1 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | | | trans | -75.6 | 99.9 | 157.9 | -177.8 | 0 | 0 | 0 | 0 | 106.5 | E65 L69 | E65-V67 VanDerWaalsContact C-N 3.34Å; E65-V67 PolarHBondContact O-N 3.09Å; V67-L69 PolarHBondContact O-N 3.07Å |
| 68 | M | 43.9 | Very low | 50.5 | Low | 174 Ų | 174 | 133 Ų | 133 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | -51.8 | 101.7 | 166.8 | -77.2 | -172.9 | 173.4 | 0 | 0 | 108.9 | S66 K70 | S66-M68 PolarHBondContact O-N 3.42Å; S66-M68 VanDerWaalsContact O-N 3.15Å; M68-K70 PolarHBondContact O-N 2.82Å |
| 69 | L | 49 | Very low | 50.7 | Low | 160 Ų | 160 | 131.3 Ų | 131.3 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | trans | -69.8 | 84.3 | 159.4 | -93.2 | 163.3 | 0 | 0 | 0 | 107 | V67 N71 | V67-L69 PolarHBondContact O-N 3.07Å; L69-N71 VanDerWaalsContact C-N 3.31Å; L69-N71 PolarHBondContact O-N 3.45Å |
| 70 | K | 43.7 | Very low | 50.6 | Low | 157 Ų | 157 | 134.7 Ų | 134.7 | 68% | 0.683 | 74% | 0.74 | S | S | * | * | | | trans | -60.5 | 97 | 164 | 176.3 | 173.6 | 156.1 | -176.1 | 0 | 106.9 | M68 D72 | M68-K70 PolarHBondContact O-N 2.82Å; K70-D72 VanDerWaalsContact C-N 3.3Å; K70-D72 VanDerWaalsContact CE-OD1 3.28Å; K70-D72 WeakPolarHBondContact CE-OD1 3.27Å; K70-D72 VanDerWaalsContact CE-OD2 3.27Å; K70-D72 WeakPolarHBondContact CE-OD2 3.38Å; K70-D72 IonicContact NZ-OD2 3.77Å; K70-D72 PolarHBondContact O-N 2.76Å |
| 71 | N | 51.1 | Low | 50.9 | Low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | | | trans | -63.2 | 96.5 | 162 | -96.8 | -72.5 | 0 | 0 | 0 | 106.9 | L69 D73 | L69-N71 VanDerWaalsContact C-N 3.31Å; L69-N71 PolarHBondContact O-N 3.45Å; N71-D73 PolarHBondContact O-N 2.69Å |
| 72 | D | 45.3 | Very low | 50.5 | Low | 106 Ų | 106 | 142.1 Ų | 142.1 | 57% | 0.567 | 74% | 0.737 | S | S | * | * | | | trans | -73.1 | 86.3 | 159.1 | -94.3 | -32.5 | 0 | 0 | 0 | 107.3 | K70 S74 | K70-D72 VanDerWaalsContact C-N 3.3Å; K70-D72 VanDerWaalsContact CE-OD1 3.28Å; K70-D72 WeakPolarHBondContact CE-OD1 3.27Å; K70-D72 VanDerWaalsContact CE-OD2 3.27Å; K70-D72 WeakPolarHBondContact CE-OD2 3.38Å; K70-D72 IonicContact NZ-OD2 3.77Å; K70-D72 PolarHBondContact O-N 2.76Å; D72-S74 PolarHBondContact O-N 2.66Å |
| 73 | D | 56.1 | Low | 50.6 | Low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | | | trans | -66 | 76.7 | 164.5 | -175.2 | 33.7 | 0 | 0 | 0 | 109.8 | N71 | N71-D73 PolarHBondContact O-N 2.69Š|
| 74 | S | 55.3 | Low | 50.3 | Low | 94 Ų | 94 | 136.7 Ų | 136.7 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | | | trans | -158.7 | 62.3 | 160.7 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | D72 S76 | D72-S74 PolarHBondContact O-N 2.66Å; S74-S76 PolarHBondContact O-N 2.94Å |
| 75 | M | 56.3 | Low | 50.4 | Low | 133 Ų | 133 | 137.5 Ų | 137.5 | 66% | 0.655 | 72% | 0.723 | S | S | * | * | | | trans | -68.4 | 104.1 | 160.6 | -67 | -64.4 | 131.1 | 0 | 0 | 107.7 | Q79 | M75-Q79 PolarHBondContact SD-OE1 2.79Š|
| 76 | S | 59.3 | Low | 50 | Low | 63 Ų | 63 | 140.4 Ų | 140.4 | 44% | 0.441 | 73% | 0.726 | S | S | . | * | | | trans | -58 | 143.4 | 175.7 | 80.3 | 0 | 0 | 0 | 0 | 109.6 | S74 N78 Q79 | S74-S76 PolarHBondContact O-N 2.94Å; S76-N78 PolarHBondContact O-N 2.79Å; S76-Q79 PolarHBondContact O-N 2.91Å |
| 77 | P | 58.9 | Low | 49.5 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -53.7 | -14.5 | -175.1 | -29.2 | 35.3 | 0 | 0 | 0 | 115.8 | | |
| 78 | N | 58.1 | Low | 49.2 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -92.5 | -2.4 | -171.9 | -56.6 | -36.7 | 0 | 0 | 0 | 114.5 | S76 W80 | S76-N78 PolarHBondContact O-N 2.79Å; N78-W80 VanDerWaalsContact C-N 3.32Å; N78-W80 PolarHBondContact O-N 3.43Å |
| 79 | Q | 53.3 | Low | 49.1 | Very low | 131 Ų | 131 | 142 Ų | 142 | 61% | 0.612 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -82 | -5.3 | -178.2 | -168.1 | 167.8 | -9.8 | 0 | 0 | 114.1 | M75 S76 R81 | M75-Q79 PolarHBondContact SD-OE1 2.79Å; S76-Q79 PolarHBondContact O-N 2.91Å; Q79-R81 PolarHBondContact O-N 3.26Å |
| 80 | W | 45.8 | Very low | 49 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | | | trans | -74.3 | 29.6 | 171.7 | -64.9 | 90.1 | 0 | 0 | 0 | 113.5 | N78 Y82 | N78-W80 VanDerWaalsContact C-N 3.32Å; N78-W80 PolarHBondContact O-N 3.43Å; W80-Y82 HydrophobicContact CB-CE2 4.47Å; W80-Y82 AromaticContact CE3-CE2 3.94Å; W80-Y82 HydrophobicContact CE3-CE2 3.94Å; W80-Y82 AromaticContact CE3-CZ 3.71Å; W80-Y82 VanDerWaalsContact CE3-OH 3.31Å; W80-Y82 VanDerWaalsContact CZ3-OH 3.32Å; W80-Y82 WeakPolarHBondContact CZ3-OH 3.41Å; W80-Y82 VanDerWaalsContact O-CD2 3.24Å; W80-Y82 WeakPolarHBondContact O-CD2 3.45Å; W80-Y82 PolarHBondContact O-N 3.5Å |
| 81 | R | 53.4 | Low | 49.2 | Very low | 213 Ų | 213 | 140.4 Ų | 140.4 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | -74.1 | 83 | 166.9 | -69.1 | -86 | -178.6 | 164 | -0.9 | 107.1 | Q79 S83 | Q79-R81 PolarHBondContact O-N 3.26Å; R81-S83 PolarHBondContact O-N 2.9Å |
| 82 | Y | 40.8 | Very low | 48.7 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | -51.4 | 92.9 | 163.8 | -67.3 | -86.1 | 0 | 0 | 0 | 108.7 | W80 S84 | W80-Y82 HydrophobicContact CB-CE2 4.47Å; W80-Y82 AromaticContact CE3-CE2 3.94Å; W80-Y82 HydrophobicContact CE3-CE2 3.94Å; W80-Y82 AromaticContact CE3-CZ 3.71Å; W80-Y82 VanDerWaalsContact CE3-OH 3.31Å; W80-Y82 VanDerWaalsContact CZ3-OH 3.32Å; W80-Y82 WeakPolarHBondContact CZ3-OH 3.41Å; W80-Y82 VanDerWaalsContact O-CD2 3.24Å; W80-Y82 WeakPolarHBondContact O-CD2 3.45Å; W80-Y82 PolarHBondContact O-N 3.5Å; Y82-S84 PolarHBondContact O-N 3.46Å |
| 83 | S | 45.7 | Very low | 48.8 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | | | trans | -80.7 | 80.8 | 167 | -61.7 | 0 | 0 | 0 | 0 | 106.1 | R81 | R81-S83 PolarHBondContact O-N 2.9Š|
| 84 | S | 44.3 | Very low | 48.2 | Very low | 84 Ų | 84 | 141.2 Ų | 141.2 | 59% | 0.587 | 74% | 0.737 | S | S | * | * | | | trans | -59.3 | 129.7 | 165 | -60.9 | 0 | 0 | 0 | 0 | 107.8 | Y82 W86 | Y82-S84 PolarHBondContact O-N 3.46Å; S84-W86 PolarHBondContact O-N 3.26Å |
| 85 | P | 51 | Low | 47.4 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -73.3 | 15.5 | -178.2 | 29.8 | -34.1 | 0 | 0 | 0 | 113.3 | T87 | P85-T87 PolarHBondContact O-N 3.17Š|
| 86 | W | 38.2 | Very low | 46.6 | Very low | 238 Ų | 238 | 141.9 Ų | 141.9 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | | | trans | -94.5 | 24.5 | -175.5 | -161.5 | -103.9 | 0 | 0 | 0 | 114.4 | S84 | S84-W86 PolarHBondContact O-N 3.26Š|
| 87 | T | 42.2 | Very low | 46.1 | Very low | 123 Ų | 123 | 146 Ų | 146 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -111 | 103.3 | 163.6 | -44.3 | 0 | 0 | 0 | 0 | 107.7 | P85 | P85-T87 PolarHBondContact O-N 3.17Š|
| 88 | K | 42.2 | Very low | 45.1 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | | | trans | -45.9 | 127.2 | 163.2 | -92.1 | 175.9 | 171.1 | 176.2 | 0 | 107.9 | Q90 | K88-Q90 PolarHBondContact O-N 3.29Š|
| 89 | P | 40.6 | Very low | 44.3 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -63.3 | 114.4 | 165.9 | 24.7 | -29.1 | 0 | 0 | 0 | 107 | | |
| 90 | Q | 47.8 | Very low | 43.5 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -65.3 | 141.9 | 163.1 | -132.5 | -146.4 | -6.4 | 0 | 0 | 107.1 | K88 E92 | K88-Q90 PolarHBondContact O-N 3.29Å; Q90-E92 PolarHBondContact O-N 3.42Å |
| 91 | P | 47.5 | Very low | 43.2 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | | | trans | -64.3 | 103.5 | 173.2 | -18.5 | 31.3 | 0 | 0 | 0 | 109.2 | V93 | P91-V93 PolarHBondContact O-N 2.95Å; P91-V93 VanDerWaalsContact O-N 3.12Å |
| 92 | E | 40.7 | Very low | 42.4 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | | | trans | -65.4 | 108.5 | 168.7 | -73.4 | -171.4 | 165 | 0 | 0 | 108.3 | Q90 | Q90-E92 PolarHBondContact O-N 3.42Š|
| 93 | V | 47.2 | Very low | 42.2 | Very low | 120 Ų | 120 | 140 Ų | 140 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -72.1 | 125.6 | 162.5 | -84.1 | 0 | 0 | 0 | 0 | 108.2 | P91 V95 | P91-V93 PolarHBondContact O-N 2.95Å; P91-V93 VanDerWaalsContact O-N 3.12Å; V93-V95 PolarHBondContact O-N 3Å |
| 94 | P | 43 | Very low | 41.9 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -71.3 | 103.6 | 174.5 | 26.5 | -30.4 | 0 | 0 | 0 | 109.2 | T96 | P94-T96 VanDerWaalsContact C-N 3.31Å; P94-T96 PolarHBondContact O-N 3.28Å; P94-T96 VanDerWaalsContact O-N 3.1Å |
| 95 | V | 39.7 | Very low | 41.6 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -79.5 | 87.9 | 164.6 | 174.1 | 0 | 0 | 0 | 0 | 107.5 | V93 N97 | V93-V95 PolarHBondContact O-N 3Å; V95-N97 PolarHBondContact O-N 2.8Å |
| 96 | T | 39.2 | Very low | 41.3 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | | | trans | -65.5 | 121.5 | 161.8 | -49.4 | 0 | 0 | 0 | 0 | 108.1 | P94 R98 | P94-T96 VanDerWaalsContact C-N 3.31Å; P94-T96 PolarHBondContact O-N 3.28Å; P94-T96 VanDerWaalsContact O-N 3.1Å; T96-R98 PolarHBondContact O-N 2.88Å; T96-R98 VanDerWaalsContact O-N 3.1Å |
| 97 | N | 48.9 | Very low | 41.8 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -63.5 | 102.9 | 164.7 | 60 | -20.9 | 0 | 0 | 0 | 109.5 | V95 | V95-N97 PolarHBondContact O-N 2.8Š|
| 98 | R | 37.3 | Very low | 41.4 | Very low | 231 Ų | 231 | 139.5 Ų | 139.5 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -142.6 | 108.8 | 160.7 | -151 | 172.1 | -179.3 | 171.2 | -0.4 | 110.6 | T96 A100 | T96-R98 PolarHBondContact O-N 2.88Å; T96-R98 VanDerWaalsContact O-N 3.1Å; R98-A100 PolarHBondContact O-N 2.85Å |
| 99 | A | 40.8 | Very low | 41.8 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -58.9 | 125.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 100 | A | 36.3 | Very low | 41.6 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | | | trans | -153.8 | 88.2 | 159 | 0 | 0 | 0 | 0 | 0 | 108.8 | R98 C102 | R98-A100 PolarHBondContact O-N 2.85Å; A100-C102 PolarHBondContact O-N 3.3Å |
| 101 | N | 39.5 | Very low | 41.1 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | | | trans | -19.8 | 115.1 | 145.6 | 39.7 | -17.2 | 0 | 0 | 0 | 115.6 | | |
| 102 | C | 38.2 | Very low | 40.5 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | -130.9 | 100.4 | 158 | -53.2 | 0 | 0 | 0 | 0 | 108.4 | A100 | A100-C102 PolarHBondContact O-N 3.3Š|
| 103 | N | 36.2 | Very low | 40.2 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | -74.1 | 127.1 | 168.9 | -73.6 | -71.7 | 0 | 0 | 0 | 109.3 | | |
| 104 | L | 39.6 | Very low | 39.8 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | | | trans | -125 | 104 | 159.3 | -79.9 | 169.9 | 0 | 0 | 0 | 108.7 | | |
| 105 | H | 38.7 | Very low | 39.5 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | -78.6 | 122.2 | 173.2 | 167.3 | -77.5 | 0 | 0 | 0 | 109.5 | | |
| 106 | V | 43 | Very low | 39.3 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -140.9 | 137.5 | 159.5 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 107 | P | 49.3 | Very low | 39.5 | Very low | 101 Ų | 101 | 137 Ų | 137 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | | | trans | -88.3 | 148.2 | -158.9 | 3.6 | 15.9 | 0 | 0 | 0 | 113.9 | | |
| 108 | S | 34.8 | Very low | 38.7 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -77.3 | 157.1 | 159.9 | -167 | 0 | 0 | 0 | 0 | 110 | | |
| 109 | P | 48.7 | Very low | 38.7 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | | -149.5 | 147.3 | 93.1 | 35 | -16.3 | 0 | 0 | 0 | 115.9 | | |
| 110 | M | 37.8 | Very low | 38.4 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | | | trans | 158.1 | 98.1 | 137.1 | -75.8 | -104 | 165.6 | 0 | 0 | 106.7 | | |
| 111 | A | 36.2 | Very low | 38.2 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | | 54.7 | 117.6 | 93.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 112 | V | 34.6 | Very low | 37.7 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | cis | -162.3 | 163.5 | 40.2 | 170 | 0 | 0 | 0 | 0 | 108 | | |
| 113 | N | 36.3 | Very low | 37.5 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 65% | 0.647 | 79% | 0.793 | S | S | * | * | | | trans | 100.9 | 68.7 | 164.5 | -107 | 8.5 | 0 | 0 | 0 | 118.4 | F115 | N113-F115 PolarHBondContact O-N 3.37Š|
| 114 | Q | 38.5 | Very low | 37.6 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | -7.7 | 110.6 | 126.3 | -58 | 179.3 | 71.7 | 0 | 0 | 115.2 | | |
| 115 | F | 35.4 | Very low | 37.4 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | | | trans | -153.5 | 112.9 | 137 | -75.7 | -68.2 | 0 | 0 | 0 | 109.2 | N113 | N113-F115 PolarHBondContact O-N 3.37Š|
| 116 | S | 35.9 | Very low | 37.3 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -120.6 | 143.7 | 148.3 | -73.1 | 0 | 0 | 0 | 0 | 106.1 | | |
| 117 | P | 44.3 | Very low | 37.1 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | | -143.4 | 146.3 | 112.8 | 32.3 | -15.2 | 0 | 0 | 0 | 115.8 | | |
| 118 | S | 30.8 | Very low | 36.5 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | 70 | 94.6 | 140.3 | 55.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 119 | L | 37.1 | Very low | 37.2 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | | 19.2 | 102 | 106.5 | -159.6 | 95.8 | 0 | 0 | 0 | 117.2 | | |
| 120 | A | 35.9 | Very low | 37.2 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | -134.2 | 89.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 121 | R | 30.9 | Very low | 37.2 | Very low | 230 Ų | 230 | 145.5 Ų | 145.5 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | 37.8 | 94 | 139.9 | -162.2 | 170 | -65.4 | 134.5 | 2.7 | 117.1 | A123 | R121-A123 PolarHBondContact O-N 3.38Å; R121-A123 VanDerWaalsContact O-N 3.15Å |
| 122 | R | 30.8 | Very low | 37.8 | Very low | 248 Ų | 248 | 147.8 Ų | 147.8 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | | | trans | -58.3 | 106.7 | 159.6 | -157.1 | 178.6 | -156.4 | -138.1 | 4.8 | 109.6 | | |
| 123 | A | 32.6 | Very low | 37.8 | Very low | 84 Ų | 84 | 150.9 Ų | 150.9 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | | | trans | -91.8 | 103 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | R121 V125 | R121-A123 PolarHBondContact O-N 3.38Å; R121-A123 VanDerWaalsContact O-N 3.15Å; A123-V125 PolarHBondContact O-N 3.18Å |
| 124 | S | 38.2 | Very low | 37.8 | Very low | 94 Ų | 94 | 151 Ų | 151 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | | | trans | -69.5 | 100.7 | 166.5 | 153.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 125 | V | 35.6 | Very low | 37.7 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | -90.6 | 118.8 | 170.8 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | A123 | A123-V125 PolarHBondContact O-N 3.18Š|
| 126 | R | 37.6 | Very low | 38.1 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | | | trans | -60.9 | 144.3 | 173.7 | -63.1 | -93.4 | 93.8 | 172.9 | 5.9 | 110.2 | G128 | R126-G128 PolarHBondContact O-N 2.75Š|
| 127 | P | 37.9 | Very low | 37.9 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -81 | 93.3 | 164 | 19.2 | -5.5 | 0 | 0 | 0 | 108.1 | | |
| 128 | G | 36.3 | Very low | 37.3 | Very low | 61 Ų | 61 | 143.3 Ų | 143.3 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | trans | -100.1 | 126.1 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | R126 L130 | R126-G128 PolarHBondContact O-N 2.75Å; G128-L130 PolarHBondContact O-N 3.35Å |
| 129 | E | 50.1 | Low | 37.4 | Very low | 184 Ų | 184 | 145 Ų | 145 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -42.6 | 120.4 | 176.1 | -62.5 | 153.1 | 141.3 | 0 | 0 | 112 | | |
| 130 | L | 47.7 | Very low | 37.1 | Very low | 127 Ų | 127 | 142 Ų | 142 | 67% | 0.665 | 79% | 0.789 | S | S | * | * | | | trans | -153.5 | 74.5 | 169.4 | -126.2 | 65.3 | 0 | 0 | 0 | 108.9 | G128 H132 | G128-L130 PolarHBondContact O-N 3.35Å; L130-H132 VanDerWaalsContact CD2-CD2 3.5Å; L130-H132 WeakPolarHBondContact CD2-CD2 3.43Å; L130-H132 WeakPolarHBondContact CD2-NE2 2.96Å; L130-H132 WeakPolarHBondContact CG-NE2 3.45Å; L130-H132 PolarHBondContact O-N 3.33Å |
| 131 | W | 39.4 | Very low | 37.2 | Very low | 240 Ų | 240 | 142 Ų | 142 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -67.6 | 83.5 | 160 | -72 | 104.4 | 0 | 0 | 0 | 108 | F133 | W131-F133 PolarHBondContact O-N 3.39Š|
| 132 | H | 47.3 | Very low | 37.7 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 64% | 0.644 | 78% | 0.782 | S | S | * | * | | | trans | -81.8 | 102.6 | 168.3 | -74.5 | -49.4 | 0 | 0 | 0 | 109 | L130 S134 | L130-H132 VanDerWaalsContact CD2-CD2 3.5Å; L130-H132 WeakPolarHBondContact CD2-CD2 3.43Å; L130-H132 WeakPolarHBondContact CD2-NE2 2.96Å; L130-H132 WeakPolarHBondContact CG-NE2 3.45Å; L130-H132 PolarHBondContact O-N 3.33Å; H132-S134 PolarHBondContact O-N 3.32Å |
| 133 | F | 34.8 | Very low | 38.2 | Very low | 198 Ų | 198 | 133.8 Ų | 133.8 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | | | trans | -52.4 | 106 | 157.4 | -65.2 | -87.9 | 0 | 0 | 0 | 108.1 | W131 S135 | W131-F133 PolarHBondContact O-N 3.39Å; F133-S135 PolarHBondContact O-N 3Å |
| 134 | S | 36.8 | Very low | 38.7 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -79.9 | 107.1 | 167 | -65.4 | 0 | 0 | 0 | 0 | 107.3 | H132 | H132-S134 PolarHBondContact O-N 3.32Š|
| 135 | S | 36.9 | Very low | 38.7 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | trans | -133.3 | 130.4 | 165.7 | -150.3 | 0 | 0 | 0 | 0 | 110.6 | F133 | F133-S135 PolarHBondContact O-N 3Š|
| 136 | L | 44 | Very low | 38.8 | Very low | 166 Ų | 166 | 138 Ų | 138 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | trans | 103.6 | 137.7 | 149.4 | -71.4 | 151.2 | 0 | 0 | 0 | 120.7 | | |
| 137 | A | 30.7 | Very low | 38.9 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 74.8 | 118 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 138 | G | 32 | Very low | 39 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | cis | 93 | 87.8 | 29.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 139 | T | 32.1 | Very low | 39.2 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | 167.6 | 122.8 | 130 | 35.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 140 | S | 32.5 | Very low | 38.8 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | 58.2 | 132.2 | 145.5 | 68.3 | 0 | 0 | 0 | 0 | 123.5 | | |
| 141 | S | 37.5 | Very low | 39 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | | 93.3 | 91 | 125.8 | -176.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 142 | L | 41 | Very low | 39.1 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | | 162.7 | 119.1 | 105 | -93.2 | 147.3 | 0 | 0 | 0 | 110.5 | | |
| 143 | E | 40.3 | Very low | 38.6 | Very low | 146 Ų | 146 | 135 Ų | 135 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | trans | -81.2 | 147.9 | 164.2 | -172.7 | -110.6 | -179.4 | 0 | 0 | 109.1 | G145 | E143-G145 WeakPolarHBondContact OE1-CA 3.26Å; E143-G145 PolarHBondContact OE1-N 2.78Å |
| 144 | P | 44.7 | Very low | 39.1 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | | -141 | 122.6 | 120.1 | 14.5 | 7.5 | 0 | 0 | 0 | 114.5 | | |
| 145 | G | 37.1 | Very low | 39.8 | Very low | 38 Ų | 38 | 136.7 Ų | 136.7 | 39% | 0.392 | 78% | 0.782 | S | S | . | * | | | | 109.2 | 86.7 | 101.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | E143 | E143-G145 WeakPolarHBondContact OE1-CA 3.26Å; E143-G145 PolarHBondContact OE1-N 2.78Å |
| 146 | Y | 38.4 | Very low | 40.1 | Very low | 235 Ų | 235 | 138.2 Ų | 138.2 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | | | trans | -155 | 113.8 | 142 | -87.7 | -70.7 | 0 | 0 | 0 | 111.8 | | |
| 147 | S | 39.3 | Very low | 40.3 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -79.2 | 130.2 | 175.4 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 148 | H | 39.2 | Very low | 41 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | | | trans | -119 | 111.5 | 151.2 | -94.8 | -69.4 | 0 | 0 | 0 | 109.5 | | |
| 149 | A | 42.2 | Very low | 41.6 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 60% | 0.603 | 78% | 0.783 | S | S | * | * | | | trans | -79.9 | 139.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 150 | F | 41.6 | Very low | 42.6 | Very low | 207 Ų | 207 | 143.3 Ų | 143.3 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | | | | -178.8 | 157.1 | 118.9 | -83.4 | -56.9 | 0 | 0 | 0 | 109.9 | | |
| 151 | P | 51.8 | Low | 43.2 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | trans | -101.6 | 161.1 | -133.9 | 37.7 | -34.6 | 0 | 0 | 0 | 115.4 | | |
| 152 | A | 41.7 | Very low | 44 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -51.8 | 140.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 153 | R | 37 | Very low | 44.4 | Very low | 227 Ų | 227 | 139.2 Ų | 139.2 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | | | trans | -125.4 | 112 | 161.2 | -54.7 | -169.4 | -170 | -99.6 | 0.7 | 108.5 | | |
| 154 | H | 43.6 | Very low | 45 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 88% | 0.884 | 76% | 0.762 | S | S | * | * | | | trans | 48.4 | 123.1 | 157.3 | -76.5 | 115.8 | 0 | 0 | 0 | 121.7 | | |
| 155 | L | 53.2 | Low | 45.2 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | | | trans | -62 | 134.5 | 169.2 | -64.4 | 159.2 | 0 | 0 | 0 | 112.3 | | |
| 156 | V | 42.8 | Very low | 46.3 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -132.7 | 121.2 | 147.9 | 172.4 | 0 | 0 | 0 | 0 | 106.4 | E158 | V156-E158 PolarHBondContact O-N 3.36Š|
| 157 | P | 48.4 | Very low | 47.4 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 116.5 | 169.5 | -10.9 | 26.8 | 0 | 0 | 0 | 108.8 | | |
| 158 | E | 44.3 | Very low | 48.1 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 136 | 171.1 | -167.1 | -156.1 | 148.2 | 0 | 0 | 109.8 | V156 Q160 | V156-E158 PolarHBondContact O-N 3.36Å; E158-Q160 PolarHBondContact O-N 2.64Å |
| 159 | P | 44.9 | Very low | 48.8 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 121 | 175.2 | -18.2 | 30.6 | 0 | 0 | 0 | 112.1 | | |
| 160 | Q | 52.1 | Low | 49.5 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 129.1 | 169 | -75.3 | -77.8 | -15 | 0 | 0 | 112.1 | E158 D162 | E158-Q160 PolarHBondContact O-N 2.64Å; Q160-D162 PolarHBondContact O-N 3.37Å; Q160-D162 VanDerWaalsContact O-N 3.09Å |
| 161 | P | 45.6 | Very low | 50.1 | Low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | | | trans | -72.7 | 103.4 | 162.6 | 27.6 | -28.3 | 0 | 0 | 0 | 108.7 | G163 | P161-G163 PolarHBondContact O-N 3.02Š|
| 162 | D | 54.6 | Low | 50.2 | Low | 130 Ų | 130 | 138.2 Ų | 138.2 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | | | trans | -59.1 | 90.5 | 159.8 | 176.2 | 32.8 | 0 | 0 | 0 | 108.8 | Q160 K164 | Q160-D162 PolarHBondContact O-N 3.37Å; Q160-D162 VanDerWaalsContact O-N 3.09Å; D162-K164 IonicContact OD1-NZ 3.84Å; D162-K164 PolarHBondContact OD1-NZ 3.28Å; D162-K164 IonicContact OD2-NZ 2.66Å; D162-K164 PolarHBondContact OD2-NZ 3.11Å |
| 163 | G | 50.1 | Low | 50.8 | Low | 48 Ų | 48 | 140 Ų | 140 | 50% | 0.495 | 72% | 0.72 | S | S | . | * | | | trans | -144.1 | 96.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | P161 R165 | P161-G163 PolarHBondContact O-N 3.02Å; G163-R165 VanDerWaalsContact C-N 3.28Å; G163-R165 PolarHBondContact O-N 2.72Å |
| 164 | K | 51.7 | Low | 51.5 | Low | 158 Ų | 158 | 136 Ų | 136 | 69% | 0.687 | 71% | 0.711 | S | S | * | * | | | trans | -50.3 | 91.8 | 171.6 | 10.2 | -84.4 | 169.7 | -171.1 | 0 | 109 | D162 E166 | D162-K164 IonicContact OD1-NZ 3.84Å; D162-K164 PolarHBondContact OD1-NZ 3.28Å; D162-K164 IonicContact OD2-NZ 2.66Å; D162-K164 PolarHBondContact OD2-NZ 3.11Å; K164-E166 PolarHBondContact O-N 3.45Å |
| 165 | R | 50.1 | Low | 51.6 | Low | 233 Ų | 233 | 134.2 Ų | 134.2 | 88% | 0.879 | 71% | 0.708 | S | S | * | * | | | trans | -88.7 | 85.3 | 166.9 | -69.8 | -172.6 | -176.6 | -179.5 | 2.1 | 106.3 | G163 P167 | G163-R165 VanDerWaalsContact C-N 3.28Å; G163-R165 PolarHBondContact O-N 2.72Å; R165-P167 VanDerWaalsContact O-CD 3.25Å; R165-P167 WeakPolarHBondContact O-CD 3.25Å |
| 166 | E | 58.9 | Low | 51.5 | Low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | | | trans | -56.8 | 117.7 | 163.8 | -74.7 | -84.2 | 153 | 0 | 0 | 108 | K164 L168 | K164-E166 PolarHBondContact O-N 3.45Å; E166-L168 PolarHBondContact O-N 3.43Å |
| 167 | P | 61.4 | Low | 51.8 | Low | 87 Ų | 87 | 134.6 Ų | 134.6 | 57% | 0.565 | 70% | 0.698 | S | S | * | * | | | trans | -62 | 134.9 | 174.7 | -21.1 | 33.7 | 0 | 0 | 0 | 109.8 | R165 L169 S170 | R165-P167 VanDerWaalsContact O-CD 3.25Å; R165-P167 WeakPolarHBondContact O-CD 3.25Å; P167-L169 PolarHBondContact O-N 3.33Å; P167-S170 PolarHBondContact O-N 2.74Å; P167-S170 VanDerWaalsContact O-N 3.11Å; P167-S170 PolarHBondContact O-OG 3.2Å |
| 168 | L | 55.1 | Low | 51.7 | Low | 154 Ų | 154 | 137.2 Ų | 137.2 | 81% | 0.806 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 2.4 | -179.3 | -66.4 | 170.8 | 0 | 0 | 0 | 115.4 | E166 S170 | E166-L168 PolarHBondContact O-N 3.43Å; L168-S170 VanDerWaalsContact C-N 3.33Å |
| 169 | L | 54.3 | Low | 51.8 | Low | 133 Ų | 133 | 134 Ų | 134 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -73.4 | -22.2 | 171.3 | -60.7 | 178.9 | 0 | 0 | 0 | 112.7 | P167 | P167-L169 PolarHBondContact O-N 3.33Å |
| 170 | S | 57.4 | Low | 51.3 | Low | 59 Ų | 59 | 137.7 Ų | 137.7 | 41% | 0.413 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -69.8 | -33.1 | 177.4 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | P167 L168 | P167-S170 PolarHBondContact O-N 2.74Å; P167-S170 VanDerWaalsContact O-N 3.11Å; P167-S170 PolarHBondContact O-OG 3.2Å; L168-S170 VanDerWaalsContact C-N 3.33Å |
| 171 | L | 53 | Low | 50.8 | Low | 122 Ų | 122 | 135.3 Ų | 135.3 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -72.9 | -34.3 | 179.8 | -155.7 | 75.2 | 0 | 0 | 0 | 112.5 | Q173 | L171-Q173 VanDerWaalsContact C-N 3.26Å; L171-Q173 PolarHBondContact O-N 3.35Å |
| 172 | L | 53.2 | Low | 50.6 | Low | 129 Ų | 129 | 137.4 Ų | 137.4 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -72 | -22.9 | -179.9 | -154.6 | 84 | 0 | 0 | 0 | 112.6 | | |
| 173 | Q | 55.5 | Low | 49.8 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -85.2 | -20.7 | -177.7 | -153.5 | 142.6 | -63.8 | 0 | 0 | 112.8 | L171 D175 | L171-Q173 VanDerWaalsContact C-N 3.26Å; L171-Q173 PolarHBondContact O-N 3.35Å; Q173-D175 VanDerWaalsContact C-N 3.34Å |
| 174 | Q | 50.7 | Low | 49.5 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -72.5 | -25.7 | 177 | -86.5 | 175.8 | -26.6 | 0 | 0 | 113.4 | R176 | Q174-R176 VanDerWaalsContact C-N 3.26Å; Q174-R176 PolarHBondContact O-N 2.86Å |
| 175 | D | 47.4 | Very low | 48.7 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -5.5 | -175.1 | -147.1 | 28.8 | 0 | 0 | 0 | 113.8 | Q173 | Q173-D175 VanDerWaalsContact C-N 3.34Š|
| 176 | R | 49.4 | Very low | 48.4 | Very low | 204 Ų | 204 | 135 Ų | 135 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 1 | -178.3 | -111.2 | -168 | -70.8 | 156.2 | -2.6 | 115.7 | Q174 | Q174-R176 VanDerWaalsContact C-N 3.26Å; Q174-R176 PolarHBondContact O-N 2.86Å |
| 177 | C | 49.3 | Very low | 47.6 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -114.4 | 11.7 | -171.7 | -69 | 0 | 0 | 0 | 0 | 115.8 | | |
| 178 | L | 47.3 | Very low | 46.9 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | | | trans | -116.1 | 61 | 174 | -66.6 | 179.3 | 0 | 0 | 0 | 111.9 | | |
| 179 | A | 45.4 | Very low | 46 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | | | trans | -146.7 | 77.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 180 | R | 34.4 | Very low | 45.2 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 73% | 0.725 | 75% | 0.75 | S | S | * | * | | | trans | -152.9 | 105.4 | 154.6 | -169.1 | 173.8 | 179.5 | 165.4 | -2.1 | 111.1 | | |
| 181 | P | 42 | Very low | 44.4 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -82.8 | 119.7 | 156.7 | 6.7 | 11.6 | 0 | 0 | 0 | 107.9 | | |
| 182 | Q | 40.6 | Very low | 44.3 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 71% | 0.71 | 78% | 0.778 | S | S | * | * | | | trans | -133.8 | 123.8 | 155.7 | -90.4 | -165.1 | -12.3 | 0 | 0 | 111 | | |
| 183 | E | 38.5 | Very low | 43.5 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -60.7 | 166.2 | -179.8 | -116.5 | -150 | 122.9 | 0 | 0 | 114.8 | | |
| 184 | P | 43.4 | Very low | 42.9 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | | | trans | -86.4 | 136.2 | -174.7 | 34.2 | -29.1 | 0 | 0 | 0 | 112.7 | | |
| 185 | V | 36.5 | Very low | 42.3 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | -113 | 113.4 | 166.4 | 165.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 186 | A | 43.1 | Very low | 41.7 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | -57.1 | 136.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 187 | R | 42.3 | Very low | 41 | Very low | 243 Ų | 243 | 135.1 Ų | 135.1 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | | | trans | -144.2 | 114.2 | 145.3 | -75.1 | -146.9 | 178.2 | -134.1 | 0.9 | 111.5 | | |
| 188 | E | 46.3 | Very low | 40.5 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -49.6 | 148.3 | 161.2 | -179.1 | -176.5 | 161.2 | 0 | 0 | 113.7 | | |
| 189 | N | 36.8 | Very low | 40.3 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | 176 | 99.9 | 148.3 | -84.3 | -21.6 | 0 | 0 | 0 | 108.1 | | |
| 190 | G | 35.8 | Very low | 40 | Very low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | | 73.3 | 115.6 | 98 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 191 | N | 42.6 | Very low | 40.6 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | | | cis | -175.9 | -177.7 | 46.5 | -113.9 | -23.6 | 0 | 0 | 0 | 111.4 | | |
| 192 | P | 49.3 | Very low | 40.6 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | | -112.1 | 163 | -128.3 | 42.2 | -33.7 | 0 | 0 | 0 | 116.2 | | |
| 193 | G | 37.9 | Very low | 40.4 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | -154 | 105.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 194 | Q | 42 | Very low | 40.3 | Very low | 195 Ų | 195 | 131.9 Ų | 131.9 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | | | trans | -65.1 | 155 | 169 | -50 | -174.9 | 18.7 | 0 | 0 | 108.2 | | |
| 195 | A | 39 | Very low | 40.3 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | cis | -168.5 | 173.2 | 32.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 196 | A | 33.4 | Very low | 40.6 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | | | trans | 85.2 | 125 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 197 | G | 36 | Very low | 40.8 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | 124.8 | 89.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 198 | S | 37.9 | Very low | 40.7 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -56.4 | 156.1 | 166.3 | 175.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 199 | T | 42.7 | Very low | 40.7 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | 97.1 | 118.5 | 150.1 | -22.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 200 | G | 39.8 | Very low | 40.9 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | 160.4 | 82.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 201 | L | 47.5 | Very low | 41.1 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | -59.4 | 134.8 | 161.9 | -88.8 | 157.4 | 0 | 0 | 0 | 110.5 | | |
| 202 | L | 41.7 | Very low | 40.9 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | -145.5 | 127.3 | 155 | -108.7 | 161.5 | 0 | 0 | 0 | 111.2 | | |
| 203 | F | 36.8 | Very low | 40.9 | Very low | 161 Ų | 161 | 134 Ų | 134 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -70 | 157.8 | -172.5 | -66.5 | -98.5 | 0 | 0 | 0 | 113 | | |
| 204 | N | 34.9 | Very low | 41.5 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | | 167.4 | 110.7 | 105.9 | -81.6 | -42.9 | 0 | 0 | 0 | 112 | | |
| 205 | M | 43.9 | Very low | 41.9 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 141.7 | 155.2 | -97.7 | -130.5 | 71.1 | 0 | 0 | 108.3 | | |
| 206 | P | 43 | Very low | 42 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 128.4 | 167.8 | 32.4 | -26.4 | 0 | 0 | 0 | 111.2 | | |
| 207 | P | 47.5 | Very low | 42.6 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 145.4 | 163 | 12.6 | 6.4 | 0 | 0 | 0 | 111.4 | | |
| 208 | G | 39.5 | Very low | 42.9 | Very low | 74 Ų | 74 | 147.3 Ų | 147.3 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | | | trans | -89.9 | -168.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 209 | S | 46.8 | Very low | 43.1 | Very low | 117 Ų | 117 | 153.9 Ų | 153.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | 65.5 | 142.5 | 172.8 | -148.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 210 | V | 40 | Very low | 42.7 | Very low | 130 Ų | 130 | 150.6 Ų | 150.6 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | | | | -164.7 | 145.9 | 58.1 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 211 | H | 41.7 | Very low | 42.8 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | | | trans | -33.5 | 139.9 | 156.9 | -101.9 | -84.1 | 0 | 0 | 0 | 116.2 | | |
| 212 | Y | 37.3 | Very low | 42 | Very low | 222 Ų | 222 | 150.2 Ų | 150.2 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | | | trans | -149 | 126.1 | 141 | -143.6 | -98 | 0 | 0 | 0 | 112.2 | | |
| 213 | K | 48.9 | Very low | 41.9 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | trans | -72.1 | 134.2 | 168 | -78.7 | 177.1 | 169.6 | -178.6 | 0 | 108.7 | | |
| 214 | K | 52 | Low | 42 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | | | trans | -128.1 | 135.7 | 164.6 | -160.9 | 167.8 | -179.4 | 177.7 | 0 | 111.6 | | |
| 215 | L | 48.9 | Very low | 41.9 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | -71.6 | 153.3 | -165.9 | -67.8 | 147.7 | 0 | 0 | 0 | 113.5 | | |
| 216 | Y | 42 | Very low | 41.8 | Very low | 214 Ų | 214 | 143.1 Ų | 143.1 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -60.5 | 139.1 | 170.8 | -131.1 | -100.5 | 0 | 0 | 0 | 111.7 | | |
| 217 | V | 46.3 | Very low | 41.9 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | trans | -131 | 115.3 | 160.1 | 169.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 218 | S | 42.3 | Very low | 41.5 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -78.4 | 132.2 | 171.3 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 219 | R | 41.3 | Very low | 41.3 | Very low | 248 Ų | 248 | 147.6 Ų | 147.6 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | | | trans | -146 | 117.9 | 157.9 | -160 | 175 | -179.8 | 165.3 | 0.1 | 108.9 | | |
| 220 | G | 35.4 | Very low | 40.9 | Very low | 70 Ų | 70 | 147.2 Ų | 147.2 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -93 | -177.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 221 | S | 40.4 | Very low | 40.8 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 92% | 0.923 | 80% | 0.803 | S | S | * | * | | | trans | 77.9 | 133.3 | 173.7 | -79.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 222 | A | 32.2 | Very low | 40.7 | Very low | 91 Ų | 91 | 146 Ų | 146 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | cis | -159.1 | 152.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 223 | S | 39 | Very low | 40.6 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | 21.9 | 119.2 | 143.7 | -155.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 224 | T | 38 | Very low | 39.9 | Very low | 144 Ų | 144 | 143 Ų | 143 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -135.8 | 126.5 | 132.5 | 53 | 0 | 0 | 0 | 0 | 109.3 | | |
| 225 | S | 34.6 | Very low | 39 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -67.2 | 143.1 | -178.6 | 46.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 226 | L | 40.6 | Very low | 38.7 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | 12.9 | 158.9 | 139.7 | -83.7 | 125 | 0 | 0 | 0 | 120.9 | N228 | L226-N228 WeakPolarHBondContact CD2-OD1 3.34Š|
| 227 | P | 44.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | cis | -134.7 | 161.3 | 17.5 | 29.8 | -6.8 | 0 | 0 | 0 | 117.4 | | |
| 228 | N | 40.1 | Very low | 38.2 | Very low | 125 Ų | 125 | 130 Ų | 130 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | | | trans | -80.1 | 106.3 | 163.9 | 47.9 | -31 | 0 | 0 | 0 | 110.2 | L226 T230 | L226-N228 WeakPolarHBondContact CD2-OD1 3.34Å; N228-T230 PolarHBondContact O-N 2.69Å |
| 229 | E | 35.6 | Very low | 38.4 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -71.1 | 117.3 | 170.7 | -69.8 | -84.9 | 115.8 | 0 | 0 | 109.6 | | |
| 230 | T | 37.5 | Very low | 38.4 | Very low | 109 Ų | 109 | 133 Ų | 133 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | trans | -84.1 | 112.4 | 174.2 | -63.3 | 0 | 0 | 0 | 0 | 107.3 | N228 S232 | N228-T230 PolarHBondContact O-N 2.69Å; T230-S232 VanDerWaalsContact C-N 3.27Å; T230-S232 PolarHBondContact O-N 3.09Å |
| 231 | L | 37.8 | Very low | 38.6 | Very low | 182 Ų | 182 | 135 Ų | 135 | 95% | 0.953 | 78% | 0.775 | S | S | * | * | | | trans | -80.2 | 82 | 170.8 | -108.6 | 171.5 | 0 | 0 | 0 | 109.3 | | |
| 232 | S | 40 | Very low | 38.7 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | | | trans | -121.2 | 123.4 | 157.4 | -58.3 | 0 | 0 | 0 | 0 | 105.5 | T230 | T230-S232 VanDerWaalsContact C-N 3.27Å; T230-S232 PolarHBondContact O-N 3.09Å |
| 233 | E | 34.2 | Very low | 39.5 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | 147.4 | 107.2 | 144 | -154.1 | 150.9 | 125.5 | 0 | 0 | 110.7 | | |
| 234 | L | 34 | Very low | 40.2 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | | | trans | -143.6 | 82.8 | 158.2 | -138.2 | 144.5 | 0 | 0 | 0 | 107 | | |
| 235 | E | 34.7 | Very low | 40.8 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | | | trans | -74.5 | 116 | 160.9 | -94.9 | -158.9 | 127.4 | 0 | 0 | 108.2 | | |
| 236 | T | 41.5 | Very low | 41.3 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | | 133.3 | 170.8 | 87.5 | 43.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 237 | P | 45.9 | Very low | 41.5 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | | | cis | -124.9 | 149.7 | -17.8 | 33 | -15.8 | 0 | 0 | 0 | 112.2 | | |
| 238 | G | 32.6 | Very low | 41.5 | Very low | 61 Ų | 61 | 146.3 Ų | 146.3 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | trans | -147.2 | 78.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y240 | G238-Y240 PolarHBondContact O-N 2.81Š|
| 239 | K | 47.2 | Very low | 41.4 | Very low | 214 Ų | 214 | 143.3 Ų | 143.3 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | | | trans | -75.1 | 109.4 | 168.8 | -72.2 | -173.8 | 175.8 | -178.6 | 0 | 109 | | |
| 240 | Y | 40 | Very low | 42.1 | Very low | 203 Ų | 203 | 142 Ų | 142 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | -134.8 | 96.5 | 151.1 | 40.5 | -92.8 | 0 | 0 | 0 | 108.3 | G238 L242 | G238-Y240 PolarHBondContact O-N 2.81Å; Y240-L242 PolarHBondContact O-N 2.75Å |
| 241 | S | 40.1 | Very low | 42.9 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -69.5 | 117.6 | 160 | -84.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 242 | L | 41.8 | Very low | 43.2 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | trans | -108.2 | 85 | 159 | -80 | 166.2 | 0 | 0 | 0 | 108 | Y240 | Y240-L242 PolarHBondContact O-N 2.75Š|
| 243 | T | 48.9 | Very low | 43.6 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | | | trans | -90.2 | 127.5 | 162.4 | -36.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 244 | P | 54.5 | Low | 44.3 | Very low | 104 Ų | 104 | 152 Ų | 152 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | trans | -78.6 | 130.2 | 169.1 | 29 | -29.2 | 0 | 0 | 0 | 109.8 | N246 | P244-N246 PolarHBondContact O-N 3.34Š|
| 245 | P | 49.8 | Very low | 45.2 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -80.2 | 113.7 | 170 | 29 | -28.2 | 0 | 0 | 0 | 109.8 | H247 | P245-H247 PolarHBondContact O-N 3.3Š|
| 246 | N | 45.8 | Very low | 45.9 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | -62.6 | 114.4 | 158 | -64.7 | -45.3 | 0 | 0 | 0 | 107.9 | P244 | P244-N246 PolarHBondContact O-N 3.34Š|
| 247 | H | 45.2 | Very low | 46.1 | Very low | 169 Ų | 169 | 154.6 Ų | 154.6 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | | | trans | -114.8 | 115.6 | 161.7 | 83.7 | -75.5 | 0 | 0 | 0 | 108.8 | P245 | P245-H247 PolarHBondContact O-N 3.3Š|
| 248 | W | 44 | Very low | 46.2 | Very low | 234 Ų | 234 | 160.6 Ų | 160.6 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | | | trans | -63.9 | 138.3 | 160.3 | -92.7 | 35.8 | 0 | 0 | 0 | 109.4 | | |
| 249 | G | 38.6 | Very low | 46.9 | Very low | 62 Ų | 62 | 165.6 Ų | 165.6 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | | | trans | -173.7 | 91.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 250 | H | 49.4 | Very low | 46.9 | Very low | 156 Ų | 156 | 163 Ų | 163 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | | | trans | -53.2 | 155 | 169.1 | -66.9 | -79.7 | 0 | 0 | 0 | 111.3 | | |
| 251 | P | 54.6 | Low | 47.3 | Very low | 126 Ų | 126 | 160.8 Ų | 160.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | | -126.5 | 139 | 122.2 | 24.9 | -11.5 | 0 | 0 | 0 | 112.5 | | |
| 252 | H | 45.3 | Very low | 47.7 | Very low | 175 Ų | 175 | 163.6 Ų | 163.6 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | trans | -51.8 | 140.8 | 172.2 | -96.1 | -112.5 | 0 | 0 | 0 | 113 | | |
| 253 | R | 47.3 | Very low | 48.1 | Very low | 219 Ų | 219 | 163.6 Ų | 163.6 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | | | trans | -13.4 | 135.2 | 148.9 | -60.5 | -170 | 176 | -164.5 | 0.2 | 115.5 | | |
| 254 | Y | 49.3 | Very low | 48 | Very low | 242 Ų | 242 | 167 Ų | 167 | 95% | 0.949 | 83% | 0.827 | S | S | * | * | | | | -146.2 | 118.9 | 117 | -91.4 | -78.5 | 0 | 0 | 0 | 109.9 | | |
| 255 | L | 53.6 | Low | 47.6 | Very low | 151 Ų | 151 | 171.5 Ų | 171.5 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | | | trans | -93.2 | 133.3 | 156.7 | -105.3 | 160.3 | 0 | 0 | 0 | 105.5 | | |
| 256 | Q | 49.7 | Very low | 47.4 | Very low | 172 Ų | 172 | 175.5 Ų | 175.5 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | | | | 165.4 | 129.8 | 126 | -89.6 | 166.9 | 53.9 | 0 | 0 | 112.4 | | |
| 257 | H | 45.3 | Very low | 47.5 | Very low | 171 Ų | 171 | 177.1 Ų | 177.1 | 79% | 0.792 | 84% | 0.843 | S | S | * | * | | | trans | 27.7 | 115.9 | 136.6 | -74.1 | -89.5 | 0 | 0 | 0 | 119 | | |
| 258 | L | 47.9 | Very low | 47.7 | Very low | 248 Ų | 248 | 177.8 Ų | 177.8 | 100% | 1.298 | 85% | 0.849 | S | S | * | * | | | | -164.5 | 0 | 89.7 | -121 | 97.8 | 0 | 0 | 0 | 109.7 | | |