| 1 | M | 75.2 | Confident | 88.8 | Confident | 238 Ų | 238 | 125.4 Ų | 125.4 | 100% | 1.172 | 65% | 0.649 | S | S | * | * | | | | 0 | 121.9 | 0 | -65.8 | 168.1 | 177 | 0 | 0 | 108.6 | K3 | M1-K3 PolarHBondContact O-N 3.22Š|
| 2 | A | 75.2 | Confident | 89.6 | Confident | 92 Ų | 92 | 114.9 Ų | 114.9 | 76% | 0.76 | 60% | 0.595 | S | S | * | * | | | trans | -78 | 110.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | H4 | A2-H4 PolarHBondContact O-N 2.8Å; A2-H4 VanDerWaalsContact O-N 3.14Å |
| 3 | K | 80.7 | Confident | 90.1 | Very high | 203 Ų | 203 | 111.7 Ų | 111.7 | 88% | 0.883 | 60% | 0.596 | S | S | * | * | | | trans | -65.5 | 114.2 | 172.1 | -70.5 | -175.3 | 178 | -177.7 | 0 | 107.7 | M1 S5 | M1-K3 PolarHBondContact O-N 3.22Å; K3-S5 PolarHBondContact O-N 3.4Å |
| 4 | H | 80.6 | Confident | 90.5 | Very high | 170 Ų | 170 | 108.4 Ų | 108.4 | 79% | 0.787 | 58% | 0.582 | S | S | * | * | | | trans | -64 | 105.2 | 171.8 | -71.4 | -72.9 | 0 | 0 | 0 | 108.3 | A2 D6 | A2-H4 PolarHBondContact O-N 2.8Å; A2-H4 VanDerWaalsContact O-N 3.14Å; H4-D6 PolarHBondContact O-N 2.76Å |
| 5 | S | 87.6 | Confident | 91 | Very high | 83 Ų | 83 | 104.2 Ų | 104.2 | 58% | 0.58 | 56% | 0.563 | S | S | * | * | | | trans | -69.4 | 115.9 | 173.5 | 50.5 | 0 | 0 | 0 | 0 | 109 | K3 I7 | K3-S5 PolarHBondContact O-N 3.4Å; S5-I7 PolarHBondContact O-N 3.46Å |
| 6 | D | 92.3 | Very high | 91.4 | Very high | 110 Ų | 110 | 107.4 Ų | 107.4 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | | | trans | -73.5 | 17.1 | 174.3 | -81 | -53.7 | 0 | 0 | 0 | 113.6 | H4 R8 K20 | H4-D6 PolarHBondContact O-N 2.76Å; D6-R8 VanDerWaalsContact O-CG 3.3Å; D6-R8 WeakPolarHBondContact O-CG 3.31Å; D6-R8 PolarHBondContact O-N 2.91Å; D6-K20 WeakPolarHBondContact OD1-CE 3.5Å; D6-K20 IonicContact OD1-NZ 2.59Å; D6-K20 PolarHBondContact OD1-NZ 2.6Å |
| 7 | I | 95.6 | Very high | 91.8 | Very high | 103 Ų | 103 | 108.4 Ų | 108.4 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | | | trans | -66 | 113.8 | -179.4 | -62.3 | 173.9 | 0 | 0 | 0 | 109.4 | S5 N9 | S5-I7 PolarHBondContact O-N 3.46Å; I7-N9 WeakPolarHBondContact CG2-OD1 3.49Å |
| 8 | R | 97 | Very high | 92.1 | Very high | 131 Ų | 131 | 110.6 Ų | 110.6 | 49% | 0.494 | 57% | 0.571 | S | S | . | * | | | trans | -103.2 | 83.6 | 179 | -51.6 | -164.4 | -164.7 | 179.1 | 3.3 | 110.4 | D6 F10 R18 F19 K20 | D6-R8 VanDerWaalsContact O-CG 3.3Å; D6-R8 WeakPolarHBondContact O-CG 3.31Å; D6-R8 PolarHBondContact O-N 2.91Å; R8-F10 VanDerWaalsContact C-N 3.29Å; R8-F10 PolarHBondContact O-N 3.15Å; R8-R18 HydrophobicContact CB-CB 3.64Å; R8-R18 WeakPolarHBondContact CD-O 3.47Å; R8-R18 PolarHBondContact O-NE 2.88Å; R8-R18 PolarHBondContact O-NH2 3.11Å; R8-F19 CarbonylContact C-O 3.37Å; R8-F19 VanDerWaalsContact CA-O 3.25Å; R8-F19 WeakPolarHBondContact CA-O 3.18Å; R8-K20 HydrophobicContact CG-CG 4.11Å |
| 9 | N | 97 | Very high | 92.4 | Very high | 118 Ų | 118 | 106.8 Ų | 106.8 | 63% | 0.631 | 55% | 0.55 | S | S | * | . | | | trans | -74.8 | -13.4 | -174.7 | -75.3 | -20.3 | 0 | 0 | 0 | 114.7 | I7 F19 | I7-N9 WeakPolarHBondContact CG2-OD1 3.49Å; N9-F19 PolarHBondContact N-O 3.35Å |
| 10 | F | 97.8 | Very high | 92.6 | Very high | 70 Ų | 70 | 107 Ų | 107 | 31% | 0.307 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 108.4 | -169.9 | -60.5 | -75.6 | 0 | 0 | 0 | 110.3 | R8 R18 F19 S21 K22 L25 | R8-F10 VanDerWaalsContact C-N 3.29Å; R8-F10 PolarHBondContact O-N 3.15Å; F10-R18 CarbonylContact O-C 3.51Å; F10-R18 WeakPolarHBondContact O-CA 3.42Å; F10-F19 HydrophobicContact CB-CB 4.16Å; F10-F19 PolarHBondContact N-O 2.93Å; F10-F19 PolarHBondContact O-N 2.87Å; F10-S21 VanDerWaalsContact CD2-C 3.43Å; F10-K22 HydrophobicContact CD1-CB 4.09Å; F10-K22 HydrophobicContact CE1-CB 3.82Å; F10-K22 HydrophobicContact CE1-CG 4.46Å; F10-K22 HydrophobicContact CZ-CB 4.13Å; F10-L25 HydrophobicContact CB-CB 4.07Å; F10-L25 HydrophobicContact CB-CD2 3.92Å |
| 11 | C | 97.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 104.6 Ų | 104.6 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 140.1 | -179 | -159.6 | 0 | 0 | 0 | 0 | 111.6 | Q16 R18 | C11-Q16 VanDerWaalsContact SG-C 3.59Å; C11-Q16 PolarHBondContact SG-O 3.5Å; C11-Q16 VanDerWaalsContact SG-O 3.32Å; C11-R18 HydrophobicContact CB-CG 4.26Å |
| 12 | C | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 97.1 Ų | 97.1 | 0% | 0 | 50% | 0.5 | C | S | . | . | | | trans | -77.8 | 126.4 | 168.5 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | V14 Q16 K17 F19 L25 H28 | C12-V14 PolarHBondContact O-N 2.85Å; C12-Q16 WeakPolarHBondContact O-CA 3.33Å; C12-Q16 PolarHBondContact O-N 3.48Å; C12-K17 PolarHBondContact N-O 2.88Å; C12-F19 HydrophobicContact CB-CE2 4.32Å; C12-L25 HydrophobicContact CB-CD1 3.84Å; C12-H28 WeakPolarHBondContact CB-NE2 3.12Å; C12-H28 PolarHBondContact SG-NE2 3.14Å |
| 13 | A | 96.2 | Very high | 94.9 | Very high | 73 Ų | 73 | 95.1 Ų | 95.1 | 60% | 0.603 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -28.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W43 | A13-W43 HydrophobicContact CB-CE3 3.64Å; A13-W43 HydrophobicContact CB-CH2 4.43Å; A13-W43 HydrophobicContact CB-CZ3 3.47Å; A13-W43 VanDerWaalsContact CB-CZ3 3.47Å |
| 14 | V | 96.4 | Very high | 95.7 | Very high | 66 Ų | 66 | 87.5 Ų | 87.5 | 40% | 0.4 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -44.4 | -170.7 | 178.3 | 0 | 0 | 0 | 0 | 113.3 | C12 I38 W43 | C12-V14 PolarHBondContact O-N 2.85Å; V14-I38 HydrophobicContact CB-CD1 4.15Å; V14-I38 HydrophobicContact CG1-CD1 4.23Å; V14-I38 HydrophobicContact CG1-CG1 4.13Å; V14-I38 HydrophobicContact CG2-CD1 3.38Å; V14-I38 HydrophobicContact CG2-CG1 3.88Å; V14-W43 HydrophobicContact CG2-CH2 4.46Å; V14-W43 HydrophobicContact CG2-CZ2 4.23Å |
| 15 | C | 97.7 | Very high | 96.5 | Very high | 45 Ų | 45 | 79.6 Ų | 79.6 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 11.3 | 178.1 | 71.9 | 0 | 0 | 0 | 0 | 114.8 | K17 H28 H32 | C15-K17 PolarHBondContact O-N 3.48Å; C15-K17 VanDerWaalsContact SG-CD 3.59Å; C15-H28 PolarHBondContact SG-CE1 2.99Å; C15-H28 PolarHBondContact SG-NE2 3.23Å; C15-H32 PolarHBondContact SG-NE2 3.45Å |
| 16 | Q | 97.4 | Very high | 97 | Very high | 156 Ų | 156 | 77.3 Ų | 77.3 | 73% | 0.729 | 41% | 0.408 | S | S | * | . | | | trans | 56.5 | 13.9 | 175.4 | -54.7 | -171.2 | 11.6 | 0 | 0 | 116.1 | C11 C12 R18 | C11-Q16 VanDerWaalsContact SG-C 3.59Å; C11-Q16 PolarHBondContact SG-O 3.5Å; C11-Q16 VanDerWaalsContact SG-O 3.32Å; C12-Q16 WeakPolarHBondContact O-CA 3.33Å; C12-Q16 PolarHBondContact O-N 3.48Å; Q16-R18 PolarHBondContact O-N 2.86Å |
| 17 | K | 98 | Very high | 97.2 | Very high | 124 Ų | 124 | 80.9 Ų | 80.9 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | | | trans | -66.6 | 132.9 | 173.8 | -70.7 | 177.6 | -172.2 | 173.1 | 0 | 110.3 | C12 C15 F19 | C12-K17 PolarHBondContact N-O 2.88Å; C15-K17 PolarHBondContact O-N 3.48Å; C15-K17 VanDerWaalsContact SG-CD 3.59Å; K17-F19 HydrophobicContact CB-CE2 3.71Å; K17-F19 HydrophobicContact CB-CZ 3.97Å; K17-F19 VanDerWaalsContact O-CD2 3.3Å; K17-F19 WeakPolarHBondContact O-CD2 3.42Å; K17-F19 WeakPolarHBondContact O-CE2 3.45Å |
| 18 | R | 98.1 | Very high | 97.4 | Very high | 147 Ų | 147 | 77 Ų | 77 | 56% | 0.555 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136 | -179.3 | -60.9 | 179.3 | 67.6 | 162.2 | 4.4 | 111.9 | R8 F10 C11 Q16 | R8-R18 HydrophobicContact CB-CB 3.64Å; R8-R18 WeakPolarHBondContact CD-O 3.47Å; R8-R18 PolarHBondContact O-NE 2.88Å; R8-R18 PolarHBondContact O-NH2 3.11Å; F10-R18 CarbonylContact O-C 3.51Å; F10-R18 WeakPolarHBondContact O-CA 3.42Å; C11-R18 HydrophobicContact CB-CG 4.26Å; Q16-R18 PolarHBondContact O-N 2.86Å |
| 19 | F | 97.7 | Very high | 97.4 | Very high | 39 Ų | 39 | 71 Ų | 71 | 17% | 0.171 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.2 | -172.5 | -65 | -89 | 0 | 0 | 0 | 112.1 | R8 N9 F10 C12 K17 L25 H28 | R8-F19 CarbonylContact C-O 3.37Å; R8-F19 VanDerWaalsContact CA-O 3.25Å; R8-F19 WeakPolarHBondContact CA-O 3.18Å; N9-F19 PolarHBondContact N-O 3.35Å; F10-F19 HydrophobicContact CB-CB 4.16Å; F10-F19 PolarHBondContact N-O 2.93Å; F10-F19 PolarHBondContact O-N 2.87Å; C12-F19 HydrophobicContact CB-CE2 4.32Å; K17-F19 HydrophobicContact CB-CE2 3.71Å; K17-F19 HydrophobicContact CB-CZ 3.97Å; K17-F19 VanDerWaalsContact O-CD2 3.3Å; K17-F19 WeakPolarHBondContact O-CD2 3.42Å; K17-F19 WeakPolarHBondContact O-CE2 3.45Å; F19-L25 HydrophobicContact CB-CB 4.2Å; F19-L25 HydrophobicContact CD2-CB 4.11Å; F19-L25 HydrophobicContact CD2-CD1 3.66Å; F19-L25 HydrophobicContact CE2-CD1 3.99Å; F19-L25 HydrophobicContact CG-CB 4.2Å; F19-H28 HydrophobicContact CE1-CB 3.81Å; F19-H28 HydrophobicContact CE2-CB 4.12Å; F19-H28 AromaticContact CE2-CD2 3.23Å; F19-H28 WeakPolarHBondContact CE2-CD2 3.11Å; F19-H28 AromaticContact CE2-CG 3.8Å; F19-H28 AromaticContact CE2-NE2 3.99Å; F19-H28 HydrophobicContact CZ-CB 3.47Å; F19-H28 VanDerWaalsContact CZ-CB 3.47Å; F19-H28 AromaticContact CZ-CD2 3.2Å; F19-H28 WeakPolarHBondContact CZ-CD2 3.49Å; F19-H28 AromaticContact CZ-CG 3.26Å; F19-H28 AromaticContact CZ-NE2 3.97Å |
| 20 | K | 96.6 | Very high | 97.4 | Very high | 111 Ų | 111 | 71.8 Ų | 71.8 | 48% | 0.483 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -76.9 | -21.9 | 177.5 | -68.6 | -173.4 | 177.1 | -173.2 | 0 | 113.3 | D6 R8 | D6-K20 WeakPolarHBondContact OD1-CE 3.5Å; D6-K20 IonicContact OD1-NZ 2.59Å; D6-K20 PolarHBondContact OD1-NZ 2.6Å; R8-K20 HydrophobicContact CG-CG 4.11Å |
| 21 | S | 96.7 | Very high | 97.3 | Very high | 57 Ų | 57 | 70.5 Ų | 70.5 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -140.9 | 148.2 | -177.5 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | F10 G23 S24 L25 | F10-S21 VanDerWaalsContact CD2-C 3.43Å; S21-G23 PolarHBondContact O-N 3.13Å; S21-S24 PolarHBondContact N-OG 2.91Å; S21-S24 PolarHBondContact O-N 2.99Å; S21-S24 VanDerWaalsContact O-N 3.12Å; S21-S24 PolarHBondContact O-OG 3.02Å; S21-S24 PolarHBondContact OG-N 3.13Å; S21-S24 PolarHBondContact OG-OG 3.37Å; S21-L25 PolarHBondContact O-N 3.14Å; S21-L25 VanDerWaalsContact O-N 3.14Å |
| 22 | K | 97.1 | Very high | 97.3 | Very high | 80 Ų | 80 | 68.2 Ų | 68.2 | 35% | 0.348 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -53.7 | -39.9 | 174.3 | -171.7 | 166.1 | 175.9 | 172.5 | 0 | 112 | F10 S24 L25 S26 E46 L47 | F10-K22 HydrophobicContact CD1-CB 4.09Å; F10-K22 HydrophobicContact CE1-CB 3.82Å; F10-K22 HydrophobicContact CE1-CG 4.46Å; F10-K22 HydrophobicContact CZ-CB 4.13Å; K22-S24 PolarHBondContact O-N 3.23Å; K22-L25 WeakPolarHBondContact O-CB 3.16Å; K22-L25 PolarHBondContact O-N 2.98Å; K22-S26 PolarHBondContact O-N 3.46Å; K22-S26 PolarHBondContact O-OG 3.5Å; K22-E46 IonicContact NZ-OE2 3.72Å; K22-E46 PolarHBondContact NZ-OE2 3.39Å; K22-L47 HydrophobicContact CD-CD2 4.28Å; K22-L47 HydrophobicContact CG-CD2 3.93Å |
| 23 | G | 97.2 | Very high | 97.2 | Very high | 50 Ų | 50 | 71.3 Ų | 71.3 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.7 | -35 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S21 S26 Y27 | S21-G23 PolarHBondContact O-N 3.13Å; G23-S26 PolarHBondContact O-N 2.95Å; G23-Y27 PolarHBondContact O-N 3.26Å; G23-Y27 VanDerWaalsContact O-N 3.08Å |
| 24 | S | 97.6 | Very high | 97.2 | Very high | 43 Ų | 43 | 76.1 Ų | 76.1 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.8 | -35.2 | 174.6 | 51 | 0 | 0 | 0 | 0 | 111.9 | S21 K22 S26 H28 | S21-S24 PolarHBondContact N-OG 2.91Å; S21-S24 PolarHBondContact O-N 2.99Å; S21-S24 VanDerWaalsContact O-N 3.12Å; S21-S24 PolarHBondContact O-OG 3.02Å; S21-S24 PolarHBondContact OG-N 3.13Å; S21-S24 PolarHBondContact OG-OG 3.37Å; K22-S24 PolarHBondContact O-N 3.23Å; S24-S26 VanDerWaalsContact C-N 3.34Å; S24-H28 WeakPolarHBondContact O-CB 3.45Å; S24-H28 PolarHBondContact O-N 3.35Å; S24-H28 VanDerWaalsContact O-N 3.17Å |
| 25 | L | 97.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 78.3 Ų | 78.3 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 167.2 | 177.9 | 66.2 | 0 | 0 | 0 | 111.6 | F10 C12 F19 S21 K22 H28 A29 F44 | F10-L25 HydrophobicContact CB-CB 4.07Å; F10-L25 HydrophobicContact CB-CD2 3.92Å; C12-L25 HydrophobicContact CB-CD1 3.84Å; F19-L25 HydrophobicContact CB-CB 4.2Å; F19-L25 HydrophobicContact CD2-CB 4.11Å; F19-L25 HydrophobicContact CD2-CD1 3.66Å; F19-L25 HydrophobicContact CE2-CD1 3.99Å; F19-L25 HydrophobicContact CG-CB 4.2Å; S21-L25 PolarHBondContact O-N 3.14Å; S21-L25 VanDerWaalsContact O-N 3.14Å; K22-L25 WeakPolarHBondContact O-CB 3.16Å; K22-L25 PolarHBondContact O-N 2.98Å; L25-H28 PolarHBondContact O-N 2.9Å; L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3.24Å; L25-F44 HydrophobicContact CD2-CE2 3.73Å; L25-F44 HydrophobicContact CD2-CZ 3.53Å; L25-F44 HydrophobicContact CG-CE2 4.17Å; L25-F44 HydrophobicContact CG-CZ 4.39Å |
| 26 | S | 97 | Very high | 97 | Very high | 34 Ų | 34 | 78.5 Ų | 78.5 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | -179.8 | -46.4 | 0 | 0 | 0 | 0 | 113.3 | K22 G23 S24 H28 A29 Y30 L47 | K22-S26 PolarHBondContact O-N 3.46Å; K22-S26 PolarHBondContact O-OG 3.5Å; G23-S26 PolarHBondContact O-N 2.95Å; S24-S26 VanDerWaalsContact C-N 3.34Å; S26-H28 VanDerWaalsContact C-N 3.25Å; S26-H28 PolarHBondContact O-N 3.38Å; S26-A29 PolarHBondContact O-N 3.37Å; S26-Y30 PolarHBondContact O-N 3.42Å; S26-L47 WeakPolarHBondContact OG-CD1 3.46Å; S26-L47 WeakPolarHBondContact OG-CD2 3.2Å |
| 27 | Y | 97.4 | Very high | 96.7 | Very high | 186 Ų | 186 | 75.3 Ų | 75.3 | 73% | 0.729 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.2 | -36.9 | 177.6 | -177.4 | -98.9 | 0 | 0 | 0 | 111.6 | G23 Y30 S31 | G23-Y27 PolarHBondContact O-N 3.26Å; G23-Y27 VanDerWaalsContact O-N 3.08Å; Y27-Y30 WeakPolarHBondContact O-CB 3.46Å; Y27-Y30 PolarHBondContact O-N 2.92Å; Y27-S31 PolarHBondContact O-N 2.99Å |
| 28 | H | 98.2 | Very high | 96.4 | Very high | 21 Ų | 21 | 70.9 Ų | 70.9 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 175 | 168.7 | 55.5 | 0 | 0 | 0 | 113.1 | C12 C15 F19 S24 L25 S26 Y30 S31 H32 | C12-H28 WeakPolarHBondContact CB-NE2 3.12Å; C12-H28 PolarHBondContact SG-NE2 3.14Å; C15-H28 PolarHBondContact SG-CE1 2.99Å; C15-H28 PolarHBondContact SG-NE2 3.23Å; F19-H28 HydrophobicContact CE1-CB 3.81Å; F19-H28 HydrophobicContact CE2-CB 4.12Å; F19-H28 AromaticContact CE2-CD2 3.23Å; F19-H28 WeakPolarHBondContact CE2-CD2 3.11Å; F19-H28 AromaticContact CE2-CG 3.8Å; F19-H28 AromaticContact CE2-NE2 3.99Å; F19-H28 HydrophobicContact CZ-CB 3.47Å; F19-H28 VanDerWaalsContact CZ-CB 3.47Å; F19-H28 AromaticContact CZ-CD2 3.2Å; F19-H28 WeakPolarHBondContact CZ-CD2 3.49Å; F19-H28 AromaticContact CZ-CG 3.26Å; F19-H28 AromaticContact CZ-NE2 3.97Å; S24-H28 WeakPolarHBondContact O-CB 3.45Å; S24-H28 PolarHBondContact O-N 3.35Å; S24-H28 VanDerWaalsContact O-N 3.17Å; L25-H28 PolarHBondContact O-N 2.9Å; S26-H28 VanDerWaalsContact C-N 3.25Å; S26-H28 PolarHBondContact O-N 3.38Å; H28-Y30 PolarHBondContact O-N 3.23Å; H28-S31 PolarHBondContact ND1-OG 3.11Å; H28-S31 WeakPolarHBondContact O-CB 3.09Å; H28-S31 PolarHBondContact O-N 3.27Å; H28-S31 PolarHBondContact O-OG 3.48Å; H28-H32 AromaticContact CE1-CD2 3.82Å; H28-H32 AromaticContact CE1-NE2 3.3Å; H28-H32 PolarHBondContact CE1-NE2 3.06Å; H28-H32 VanDerWaalsContact CE1-NE2 3.3Å; H28-H32 AromaticContact NE2-CD2 3.9Å; H28-H32 AromaticContact NE2-NE2 3.39Å; H28-H32 PolarHBondContact NE2-NE2 3.27Å; H28-H32 PolarHBondContact O-N 3Å |
| 29 | A | 97 | Very high | 95.7 | Very high | 5 Ų | 5 | 71.8 Ų | 71.8 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.5 | -37.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L25 S26 S31 H32 L33 W43 F44 | L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3.24Å; S26-A29 PolarHBondContact O-N 3.37Å; A29-S31 VanDerWaalsContact C-N 3.32Å; A29-S31 PolarHBondContact O-N 3.26Å; A29-H32 PolarHBondContact O-N 3.2Å; A29-L33 PolarHBondContact O-N 3.04Å; A29-W43 HydrophobicContact CB-CH2 3.98Å; A29-W43 HydrophobicContact CB-CZ2 3.55Å; A29-F44 HydrophobicContact CB-CD2 4.5Å |
| 30 | Y | 96.7 | Very high | 94.9 | Very high | 135 Ų | 135 | 72.1 Ų | 72.1 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.2 | -28.3 | 174 | -168.6 | -98 | 0 | 0 | 0 | 113.7 | S26 Y27 H28 H32 L33 K34 | S26-Y30 PolarHBondContact O-N 3.42Å; Y27-Y30 WeakPolarHBondContact O-CB 3.46Å; Y27-Y30 PolarHBondContact O-N 2.92Å; H28-Y30 PolarHBondContact O-N 3.23Å; Y30-H32 VanDerWaalsContact C-N 3.32Å; Y30-H32 PolarHBondContact O-N 2.59Å; Y30-L33 HydrophobicContact CD2-CD2 4.24Å; Y30-L33 HydrophobicContact CE2-CD2 4.11Å; Y30-L33 PolarHBondContact O-N 3.32Å; Y30-K34 PolarHBondContact O-N 3.48Å |
| 31 | S | 97.8 | Very high | 94 | Very high | 42 Ų | 42 | 69.7 Ų | 69.7 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.2 | -33.2 | 174.5 | 68.7 | 0 | 0 | 0 | 0 | 113 | Y27 H28 A29 K34 N35 | Y27-S31 PolarHBondContact O-N 2.99Å; H28-S31 PolarHBondContact ND1-OG 3.11Å; H28-S31 WeakPolarHBondContact O-CB 3.09Å; H28-S31 PolarHBondContact O-N 3.27Å; H28-S31 PolarHBondContact O-OG 3.48Å; A29-S31 VanDerWaalsContact C-N 3.32Å; A29-S31 PolarHBondContact O-N 3.26Å; S31-K34 PolarHBondContact O-N 3.43Å; S31-N35 PolarHBondContact O-N 2.94Å; S31-N35 PolarHBondContact O-OD1 3.34Å |
| 32 | H | 97 | Very high | 93.4 | Very high | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.065 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 174.5 | -75.3 | -56.9 | 0 | 0 | 0 | 112.1 | C15 H28 A29 Y30 K34 N35 G36 D37 I38 | C15-H32 PolarHBondContact SG-NE2 3.45Å; H28-H32 AromaticContact CE1-CD2 3.82Å; H28-H32 AromaticContact CE1-NE2 3.3Å; H28-H32 PolarHBondContact CE1-NE2 3.06Å; H28-H32 VanDerWaalsContact CE1-NE2 3.3Å; H28-H32 AromaticContact NE2-CD2 3.9Å; H28-H32 AromaticContact NE2-NE2 3.39Å; H28-H32 PolarHBondContact NE2-NE2 3.27Å; H28-H32 PolarHBondContact O-N 3Å; A29-H32 PolarHBondContact O-N 3.2Å; Y30-H32 VanDerWaalsContact C-N 3.32Å; Y30-H32 PolarHBondContact O-N 2.59Å; H32-K34 VanDerWaalsContact C-N 3.31Å; H32-K34 PolarHBondContact O-N 3.31Å; H32-N35 PolarHBondContact O-N 2.9Å; H32-G36 PolarHBondContact O-N 3.4Å; H32-G36 VanDerWaalsContact O-N 3.14Å; H32-D37 HydrophobicContact CB-CB 4.01Å; H32-D37 IonicContact CE1-OD2 3.79Å; H32-D37 IonicContact CG-OD2 3.6Å; H32-D37 IonicContact ND1-OD2 3.85Å; H32-D37 PolarHBondContact ND1-OD2 2.84Å; H32-D37 PolarHBondContact O-N 3.04Å; H32-I38 HydrophobicContact CB-CD1 3.41Å; H32-I38 VanDerWaalsContact CB-CD1 3.41Å; H32-I38 HydrophobicContact CB-CG1 3.83Å |
| 33 | L | 95.1 | Very high | 92.6 | Very high | 64 Ų | 64 | 73 Ų | 73 | 34% | 0.335 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60 | -41 | 173 | -175.4 | 72.3 | 0 | 0 | 0 | 111.6 | A29 Y30 N35 G36 M41 | A29-L33 PolarHBondContact O-N 3.04Å; Y30-L33 HydrophobicContact CD2-CD2 4.24Å; Y30-L33 HydrophobicContact CE2-CD2 4.11Å; Y30-L33 PolarHBondContact O-N 3.32Å; L33-N35 VanDerWaalsContact C-N 3.31Å; L33-N35 PolarHBondContact O-N 3.47Å; L33-G36 PolarHBondContact O-N 3.3Å; L33-M41 HydrophobicContact CD1-CG 4.21Å; L33-M41 HydrophobicContact CD2-CG 3.88Å; L33-M41 HydrophobicContact CD2-SD 3.79Å |
| 34 | K | 96.1 | Very high | 91.9 | Very high | 175 Ų | 175 | 72.3 Ų | 72.3 | 76% | 0.761 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.8 | -33.6 | 177.9 | -172.6 | -177.8 | 176 | -170.9 | 0 | 112.8 | Y30 S31 H32 | Y30-K34 PolarHBondContact O-N 3.48Å; S31-K34 PolarHBondContact O-N 3.43Å; H32-K34 VanDerWaalsContact C-N 3.31Å; H32-K34 PolarHBondContact O-N 3.31Å |
| 35 | N | 96.1 | Very high | 90.8 | Very high | 111 Ų | 111 | 74.4 Ų | 74.4 | 59% | 0.594 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -81.4 | -15.4 | -179.7 | -68.7 | -4.8 | 0 | 0 | 0 | 113.5 | S31 H32 L33 D37 | S31-N35 PolarHBondContact O-N 2.94Å; S31-N35 PolarHBondContact O-OD1 3.34Å; H32-N35 PolarHBondContact O-N 2.9Å; L33-N35 VanDerWaalsContact C-N 3.31Å; L33-N35 PolarHBondContact O-N 3.47Å; N35-D37 VanDerWaalsContact C-N 3.33Å; N35-D37 PolarHBondContact ND2-OD2 3.27Å |
| 36 | G | 94.9 | Very high | 89.7 | Confident | 50 Ų | 50 | 80 Ų | 80 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 17 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H32 L33 I38 | H32-G36 PolarHBondContact O-N 3.4Å; H32-G36 VanDerWaalsContact O-N 3.14Å; L33-G36 PolarHBondContact O-N 3.3Å; G36-I38 PolarHBondContact O-N 2.66Å |
| 37 | D | 91.2 | Very high | 88.2 | Confident | 88 Ų | 88 | 80.3 Ų | 80.3 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -71.1 | -16.3 | 176.6 | -58.6 | -31.7 | 0 | 0 | 0 | 112.1 | H32 N35 | H32-D37 HydrophobicContact CB-CB 4.01Å; H32-D37 IonicContact CE1-OD2 3.79Å; H32-D37 IonicContact CG-OD2 3.6Å; H32-D37 IonicContact ND1-OD2 3.85Å; H32-D37 PolarHBondContact ND1-OD2 2.84Å; H32-D37 PolarHBondContact O-N 3.04Å; N35-D37 VanDerWaalsContact C-N 3.33Å; N35-D37 PolarHBondContact ND2-OD2 3.27Å |
| 38 | I | 90.7 | Very high | 86.7 | Confident | 31 Ų | 31 | 75.9 Ų | 75.9 | 16% | 0.159 | 40% | 0.397 | C | S | . | . | | | trans | -147.6 | 120.9 | -177.9 | -42.2 | 165.1 | 0 | 0 | 0 | 109 | V14 H32 G36 S40 W43 | V14-I38 HydrophobicContact CB-CD1 4.15Å; V14-I38 HydrophobicContact CG1-CD1 4.23Å; V14-I38 HydrophobicContact CG1-CG1 4.13Å; V14-I38 HydrophobicContact CG2-CD1 3.38Å; V14-I38 HydrophobicContact CG2-CG1 3.88Å; H32-I38 HydrophobicContact CB-CD1 3.41Å; H32-I38 VanDerWaalsContact CB-CD1 3.41Å; H32-I38 HydrophobicContact CB-CG1 3.83Å; G36-I38 PolarHBondContact O-N 2.66Å; I38-S40 VanDerWaalsContact C-N 3.28Å; I38-S40 WeakPolarHBondContact CG2-O 3.43Å; I38-S40 PolarHBondContact O-N 2.82Å; I38-W43 HydrophobicContact CD1-CZ2 3.98Å |
| 39 | D | 83.8 | Confident | 85.2 | Confident | 166 Ų | 166 | 79.1 Ų | 79.1 | 89% | 0.888 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -75.6 | -11.2 | -178.9 | -62.3 | -48.8 | 0 | 0 | 0 | 114.3 | | |
| 40 | S | 81.6 | Confident | 83.3 | Confident | 46 Ų | 46 | 84.3 Ų | 84.3 | 32% | 0.322 | 45% | 0.452 | S | S | . | . | | | trans | -144.8 | 145.1 | 179.1 | -174.6 | 0 | 0 | 0 | 0 | 114.3 | I38 D42 | I38-S40 VanDerWaalsContact C-N 3.28Å; I38-S40 WeakPolarHBondContact CG2-O 3.43Å; I38-S40 PolarHBondContact O-N 2.82Å; S40-D42 VanDerWaalsContact C-N 3.28Å; S40-D42 PolarHBondContact OG-N 3.29Å; S40-D42 VanDerWaalsContact OG-N 3.13Å; S40-D42 PolarHBondContact OG-OD2 2.82Å |
| 41 | M | 77.8 | Confident | 81.7 | Confident | 61 Ų | 61 | 82.9 Ų | 82.9 | 30% | 0.3 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -81.5 | 2.1 | 170.3 | -71.8 | -165.1 | 71.1 | 0 | 0 | 114 | L33 W43 F44 I48 | L33-M41 HydrophobicContact CD1-CG 4.21Å; L33-M41 HydrophobicContact CD2-CG 3.88Å; L33-M41 HydrophobicContact CD2-SD 3.79Å; M41-W43 PolarHBondContact O-N 2.76Å; M41-F44 PolarHBondContact O-N 3.39Å; M41-I48 HydrophobicContact CB-CD1 3.83Å; M41-I48 HydrophobicContact CB-CG1 4.45Å; M41-I48 HydrophobicContact CE-CG1 4.09Å |
| 42 | D | 83.3 | Confident | 79.9 | Confident | 132 Ų | 132 | 92.5 Ų | 92.5 | 71% | 0.706 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22 | -176.5 | -65.2 | -36.8 | 0 | 0 | 0 | 114.1 | S40 F44 P45 | S40-D42 VanDerWaalsContact C-N 3.28Å; S40-D42 PolarHBondContact OG-N 3.29Å; S40-D42 VanDerWaalsContact OG-N 3.13Å; S40-D42 PolarHBondContact OG-OD2 2.82Å; D42-F44 PolarHBondContact O-N 3.3Å; D42-P45 WeakPolarHBondContact O-CD 3.42Å |
| 43 | W | 81.1 | Confident | 78.3 | Confident | 74 Ų | 74 | 102.7 Ų | 102.7 | 28% | 0.28 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -10.7 | 175.7 | 77.7 | -80.9 | 0 | 0 | 0 | 114.4 | A13 V14 A29 I38 M41 | A13-W43 HydrophobicContact CB-CE3 3.64Å; A13-W43 HydrophobicContact CB-CH2 4.43Å; A13-W43 HydrophobicContact CB-CZ3 3.47Å; A13-W43 VanDerWaalsContact CB-CZ3 3.47Å; V14-W43 HydrophobicContact CG2-CH2 4.46Å; V14-W43 HydrophobicContact CG2-CZ2 4.23Å; A29-W43 HydrophobicContact CB-CH2 3.98Å; A29-W43 HydrophobicContact CB-CZ2 3.55Å; I38-W43 HydrophobicContact CD1-CZ2 3.98Å; M41-W43 PolarHBondContact O-N 2.76Å |
| 44 | F | 80.9 | Confident | 76.9 | Confident | 35 Ų | 35 | 109 Ų | 109 | 15% | 0.154 | 55% | 0.554 | C | S | . | * | | | trans | -136.1 | 60.1 | -178.3 | -119.5 | -44.5 | 0 | 0 | 0 | 115.3 | L25 A29 M41 D42 E46 L47 I48 | L25-F44 HydrophobicContact CD2-CE2 3.73Å; L25-F44 HydrophobicContact CD2-CZ 3.53Å; L25-F44 HydrophobicContact CG-CE2 4.17Å; L25-F44 HydrophobicContact CG-CZ 4.39Å; A29-F44 HydrophobicContact CB-CD2 4.5Å; M41-F44 PolarHBondContact O-N 3.39Å; D42-F44 PolarHBondContact O-N 3.3Å; F44-E46 VanDerWaalsContact C-N 3.26Å; F44-E46 PolarHBondContact O-N 3.34Å; F44-L47 HydrophobicContact CB-CB 4.34Å; F44-L47 HydrophobicContact CB-CD1 4.08Å; F44-L47 HydrophobicContact CB-CG 4.25Å; F44-L47 HydrophobicContact CD1-CB 4.31Å; F44-L47 HydrophobicContact CD1-CD1 3.6Å; F44-L47 HydrophobicContact CD1-CG 3.46Å; F44-L47 VanDerWaalsContact CD1-CG 3.46Å; F44-L47 HydrophobicContact CD2-CD1 3.71Å; F44-L47 HydrophobicContact CD2-CG 4.48Å; F44-L47 HydrophobicContact CE1-CD1 3.96Å; F44-L47 HydrophobicContact CE1-CG 3.93Å; F44-L47 HydrophobicContact CE2-CD1 4.07Å; F44-L47 HydrophobicContact CG-CB 4.42Å; F44-L47 HydrophobicContact CG-CD1 3.49Å; F44-L47 VanDerWaalsContact CG-CD1 3.49Å; F44-L47 HydrophobicContact CG-CG 3.8Å; F44-L47 HydrophobicContact CZ-CD1 4.2Å; F44-L47 PolarHBondContact O-N 3.3Å; F44-I48 PolarHBondContact O-N 2.9Å |
| 45 | P | 76.2 | Confident | 75.4 | Confident | 87 Ų | 87 | 109.2 Ų | 109.2 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59 | -35.3 | -178.5 | 24.9 | -34.1 | 0 | 0 | 0 | 112.8 | D42 L47 I48 T49 | D42-P45 WeakPolarHBondContact O-CD 3.42Å; P45-L47 PolarHBondContact O-N 2.9Å; P45-L47 VanDerWaalsContact O-N 3.11Å; P45-I48 PolarHBondContact O-N 2.91Å; P45-T49 PolarHBondContact O-N 3.32Å |
| 46 | E | 73.5 | Confident | 73.9 | Confident | 123 Ų | 123 | 115 Ų | 115 | 58% | 0.575 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.8 | -13.5 | 176.9 | -65.3 | -161.3 | 159.5 | 0 | 0 | 115.2 | K22 F44 T49 | K22-E46 IonicContact NZ-OE2 3.72Å; K22-E46 PolarHBondContact NZ-OE2 3.39Å; F44-E46 VanDerWaalsContact C-N 3.26Å; F44-E46 PolarHBondContact O-N 3.34Å; E46-T49 PolarHBondContact O-OG1 3.35Å |
| 47 | L | 66.4 | Low | 72.8 | Confident | 40 Ų | 40 | 117 Ų | 117 | 21% | 0.209 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -101 | -25.6 | 178.7 | -63.4 | -174.2 | 0 | 0 | 0 | 112.8 | K22 S26 F44 P45 | K22-L47 HydrophobicContact CD-CD2 4.28Å; K22-L47 HydrophobicContact CG-CD2 3.93Å; S26-L47 WeakPolarHBondContact OG-CD1 3.46Å; S26-L47 WeakPolarHBondContact OG-CD2 3.2Å; F44-L47 HydrophobicContact CB-CB 4.34Å; F44-L47 HydrophobicContact CB-CD1 4.08Å; F44-L47 HydrophobicContact CB-CG 4.25Å; F44-L47 HydrophobicContact CD1-CB 4.31Å; F44-L47 HydrophobicContact CD1-CD1 3.6Å; F44-L47 HydrophobicContact CD1-CG 3.46Å; F44-L47 VanDerWaalsContact CD1-CG 3.46Å; F44-L47 HydrophobicContact CD2-CD1 3.71Å; F44-L47 HydrophobicContact CD2-CG 4.48Å; F44-L47 HydrophobicContact CE1-CD1 3.96Å; F44-L47 HydrophobicContact CE1-CG 3.93Å; F44-L47 HydrophobicContact CE2-CD1 4.07Å; F44-L47 HydrophobicContact CG-CB 4.42Å; F44-L47 HydrophobicContact CG-CD1 3.49Å; F44-L47 VanDerWaalsContact CG-CD1 3.49Å; F44-L47 HydrophobicContact CG-CG 3.8Å; F44-L47 HydrophobicContact CZ-CD1 4.2Å; F44-L47 PolarHBondContact O-N 3.3Å; P45-L47 PolarHBondContact O-N 2.9Å; P45-L47 VanDerWaalsContact O-N 3.11Å |
| 48 | I | 64.9 | Low | 71.5 | Confident | 94 Ų | 94 | 121.5 Ų | 121.5 | 48% | 0.482 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73.9 | -34.2 | 174.8 | -55.1 | 173.1 | 0 | 0 | 0 | 110 | M41 F44 P45 P50 | M41-I48 HydrophobicContact CB-CD1 3.83Å; M41-I48 HydrophobicContact CB-CG1 4.45Å; M41-I48 HydrophobicContact CE-CG1 4.09Å; F44-I48 PolarHBondContact O-N 2.9Å; P45-I48 PolarHBondContact O-N 2.91Å; I48-P50 WeakPolarHBondContact O-CD 3.23Å |
| 49 | T | 67.4 | Low | 70.3 | Confident | 89 Ų | 89 | 126.7 Ų | 126.7 | 55% | 0.546 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -60.5 | 111.1 | 170.6 | 53.7 | 0 | 0 | 0 | 0 | 109.2 | P45 E46 S51 | P45-T49 PolarHBondContact O-N 3.32Å; E46-T49 PolarHBondContact O-OG1 3.35Å; T49-S51 PolarHBondContact O-N 3.44Å |
| 50 | P | 57.4 | Low | 69.3 | Low | 113 Ų | 113 | 127.4 Ų | 127.4 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | | | trans | -61 | 118.7 | 175.1 | 26.1 | -32.9 | 0 | 0 | 0 | 106.7 | I48 R52 | I48-P50 WeakPolarHBondContact O-CD 3.23Å; P50-R52 PolarHBondContact O-N 2.77Å |
| 51 | S | 62.1 | Low | 68.6 | Low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | | | trans | -49.2 | 116.6 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | T49 R53 | T49-S51 PolarHBondContact O-N 3.44Å; S51-R53 PolarHBondContact O-N 3.08Å |
| 52 | R | 60.5 | Low | 68.3 | Low | 244 Ų | 244 | 143 Ų | 143 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | | | trans | -67.1 | 72.4 | 175.6 | -71.6 | -170.9 | -179.2 | -165.4 | 2.2 | 108.2 | P50 K54 | P50-R52 PolarHBondContact O-N 2.77Å; R52-K54 PolarHBondContact O-N 2.66Å |
| 53 | R | 62.9 | Low | 67.4 | Low | 227 Ų | 227 | 143.7 Ų | 143.7 | 86% | 0.857 | 68% | 0.676 | S | S | * | * | | | trans | -52.1 | 102.6 | 153.5 | -83.1 | -175.3 | 172.3 | 173 | -0.6 | 103.8 | S51 Q55 | S51-R53 PolarHBondContact O-N 3.08Å; R53-Q55 PolarHBondContact O-N 2.76Å |
| 54 | K | 67.3 | Low | 66.9 | Low | 196 Ų | 196 | 145.1 Ų | 145.1 | 85% | 0.852 | 70% | 0.695 | S | S | * | * | | | trans | -43.2 | 115 | 167.8 | -72.3 | -178.3 | 176.4 | -179.1 | 0 | 104.8 | R52 R56 | R52-K54 PolarHBondContact O-N 2.66Å; K54-R56 PolarHBondContact O-N 2.83Å |
| 55 | Q | 62.7 | Low | 66.1 | Low | 181 Ų | 181 | 148.1 Ų | 148.1 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | | | trans | -48.6 | 111.5 | -178.1 | -173.2 | 176.7 | 3.2 | 0 | 0 | 105 | R53 S57 | R53-Q55 PolarHBondContact O-N 2.76Å; Q55-S57 VanDerWaalsContact C-N 3.32Å; Q55-S57 PolarHBondContact O-N 3.37Å |
| 56 | R | 66.4 | Low | 65.4 | Low | 232 Ų | 232 | 149.8 Ų | 149.8 | 88% | 0.875 | 74% | 0.738 | S | S | * | * | | | trans | -60.7 | 105.3 | -169.4 | 178 | -174.4 | -172 | 179.9 | 4.3 | 103.9 | K54 E58 | K54-R56 PolarHBondContact O-N 2.83Å; R56-E58 PolarHBondContact O-N 3.25Å; R56-E58 VanDerWaalsContact O-N 3.08Å |
| 57 | S | 70.9 | Confident | 64.8 | Low | 91 Ų | 91 | 147 Ų | 147 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | trans | -53.3 | 127.2 | -169.8 | 46.4 | 0 | 0 | 0 | 0 | 106.5 | Q55 N59 | Q55-S57 VanDerWaalsContact C-N 3.32Å; Q55-S57 PolarHBondContact O-N 3.37Å; S57-N59 PolarHBondContact O-N 2.61Å |
| 58 | E | 64.9 | Low | 64.3 | Low | 184 Ų | 184 | 152.8 Ų | 152.8 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -69.3 | 76.9 | 175.9 | -73.8 | -179.9 | 122 | 0 | 0 | 106.5 | R56 K60 | R56-E58 PolarHBondContact O-N 3.25Å; R56-E58 VanDerWaalsContact O-N 3.08Å; E58-K60 PolarHBondContact O-N 3.48Å |
| 59 | N | 64.6 | Low | 64.2 | Low | 139 Ų | 139 | 154.9 Ų | 154.9 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | | | trans | -81.3 | 61.7 | -175.8 | -151.9 | 11 | 0 | 0 | 0 | 107.6 | S57 R61 | S57-N59 PolarHBondContact O-N 2.61Å; N59-R61 VanDerWaalsContact C-N 3.28Å; N59-R61 PolarHBondContact O-N 3.08Å |
| 60 | K | 63.4 | Low | 64.3 | Low | 181 Ų | 181 | 156 Ų | 156 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | | | trans | 25 | 64.2 | 145.1 | -150.8 | 164.5 | -171.9 | 169.8 | 0 | 112.7 | E58 K62 | E58-K60 PolarHBondContact O-N 3.48Å; K60-K62 PolarHBondContact O-N 3.12Å |
| 61 | R | 66.5 | Low | 64.6 | Low | 247 Ų | 247 | 156.2 Ų | 156.2 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | | | trans | -65.6 | 92.8 | 163.8 | -81.3 | -170 | 171.9 | -171.7 | -3.7 | 106.4 | N59 N63 | N59-R61 VanDerWaalsContact C-N 3.28Å; N59-R61 PolarHBondContact O-N 3.08Å; R61-N63 PolarHBondContact O-N 3.32Å; R61-N63 VanDerWaalsContact O-N 3.13Å |
| 62 | K | 71 | Confident | 64.7 | Low | 189 Ų | 189 | 158.1 Ų | 158.1 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 119.8 | 166.4 | -69.2 | 178.5 | 176.4 | -180 | 0 | 106.9 | K60 P64 | K60-K62 PolarHBondContact O-N 3.12Å; K62-P64 WeakPolarHBondContact O-CD 3.41Å |
| 63 | N | 64.4 | Low | 64.6 | Low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 119.2 | 172.3 | -158.9 | 13.7 | 0 | 0 | 0 | 107 | R61 A65 | R61-N63 PolarHBondContact O-N 3.32Å; R61-N63 VanDerWaalsContact O-N 3.13Å; N63-A65 PolarHBondContact O-N 2.9Å |
| 64 | P | 71.4 | Confident | 64.4 | Low | 105 Ų | 105 | 146.6 Ų | 146.6 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 131.8 | 169.2 | 28.6 | -31.8 | 0 | 0 | 0 | 107.3 | K62 C66 | K62-P64 WeakPolarHBondContact O-CD 3.41Å; P64-C66 PolarHBondContact O-N 3.17Å; P64-C66 VanDerWaalsContact O-N 3.13Å |
| 65 | A | 63.6 | Low | 63.9 | Low | 98 Ų | 98 | 144.8 Ų | 144.8 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59 | 120.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | N63 G67 | N63-A65 PolarHBondContact O-N 2.9Å; A65-G67 PolarHBondContact O-N 3.3Å |
| 66 | C | 60.9 | Low | 63.5 | Low | 121 Ų | 121 | 145.9 Ų | 145.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.7 | 161.8 | -71.8 | 0 | 0 | 0 | 0 | 107.8 | P64 | P64-C66 PolarHBondContact O-N 3.17Å; P64-C66 VanDerWaalsContact O-N 3.13Å |
| 67 | G | 61.3 | Low | 62.9 | Low | 64 Ų | 64 | 139.4 Ų | 139.4 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 148.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A65 V69 | A65-G67 PolarHBondContact O-N 3.3Å; G67-V69 PolarHBondContact O-N 3.12Å; G67-V69 VanDerWaalsContact O-N 3.14Å |
| 68 | N | 56 | Low | 62.1 | Low | 163 Ų | 163 | 139.7 Ų | 139.7 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | -58.7 | 115.2 | 175.6 | -63.7 | -27.1 | 0 | 0 | 0 | 110.4 | | |
| 69 | V | 63.7 | Low | 61.7 | Low | 138 Ų | 138 | 137.4 Ų | 137.4 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | | | trans | -87.7 | 110.6 | 165.4 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | G67 | G67-V69 PolarHBondContact O-N 3.12Å; G67-V69 VanDerWaalsContact O-N 3.14Å |
| 70 | V | 68.1 | Low | 61 | Low | 111 Ų | 111 | 135.7 Ų | 135.7 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | | | trans | -75.6 | 130.9 | 171 | 179 | 0 | 0 | 0 | 0 | 108.3 | I72 | V70-I72 PolarHBondContact O-N 3.25Š|
| 71 | P | 64.3 | Low | 60.4 | Low | 118 Ų | 118 | 133.3 Ų | 133.3 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | trans | -70.6 | 114.7 | 172.5 | 28.5 | -32.5 | 0 | 0 | 0 | 109.8 | G73 | P71-G73 PolarHBondContact O-N 3.41Š|
| 72 | I | 63.6 | Low | 59.7 | Low | 147 Ų | 147 | 127.5 Ų | 127.5 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | | | trans | -79.5 | 104.3 | 169 | -62.5 | 176.5 | 0 | 0 | 0 | 107.5 | V70 L74 | V70-I72 PolarHBondContact O-N 3.25Å; I72-L74 PolarHBondContact O-N 3.29Å |
| 73 | G | 58.4 | Low | 58.9 | Low | 74 Ų | 74 | 121.7 Ų | 121.7 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | | | trans | -70.6 | 121.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P71 | P71-G73 PolarHBondContact O-N 3.41Š|
| 74 | L | 59.2 | Low | 58.1 | Low | 155 Ų | 155 | 122.8 Ų | 122.8 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -106.8 | 79.4 | -175.9 | -160.3 | 102.3 | 0 | 0 | 0 | 110.3 | I72 | I72-L74 PolarHBondContact O-N 3.29Š|
| 75 | D | 57 | Low | 56.9 | Low | 158 Ų | 158 | 122.8 Ų | 122.8 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | -149.4 | 100.6 | 173.2 | -87.5 | -45.6 | 0 | 0 | 0 | 110.3 | | |
| 76 | Q | 54.4 | Low | 56.1 | Low | 204 Ų | 204 | 125.7 Ų | 125.7 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | | | trans | -163.8 | 126.6 | 153.9 | -118.7 | 164.5 | 55.7 | 0 | 0 | 112.1 | | |
| 77 | A | 54.1 | Low | 55.4 | Low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | | | trans | -111.6 | 135.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 78 | A | 53.7 | Low | 54.7 | Low | 96 Ų | 96 | 126.4 Ų | 126.4 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | | | trans | 76.3 | 153.2 | 151.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 79 | V | 55.6 | Low | 54.3 | Low | 137 Ų | 137 | 126.4 Ų | 126.4 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | 88.5 | 85.1 | 161.1 | -160.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 80 | S | 50.1 | Low | 53.5 | Low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -29.3 | 140.8 | 148 | -38.5 | 0 | 0 | 0 | 0 | 117 | | |
| 81 | T | 51.2 | Low | 52.3 | Low | 132 Ų | 132 | 125.2 Ų | 125.2 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | | -174.3 | 125.5 | 106.1 | 18 | 0 | 0 | 0 | 0 | 114.9 | | |
| 82 | S | 52.7 | Low | 51.5 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | trans | 29.4 | 125.5 | 138 | -46.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 83 | G | 52.4 | Low | 50.6 | Low | 67 Ų | 67 | 128.5 Ų | 128.5 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | | | trans | 153.4 | 104.9 | 135.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 84 | I | 49.3 | Very low | 50.3 | Low | 169 Ų | 169 | 130.1 Ų | 130.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | 69.3 | 149.2 | 134.6 | -61.1 | 168.3 | 0 | 0 | 0 | 118.7 | | |
| 85 | T | 45.6 | Very low | 49.5 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 64% | 0.644 | 80% | 0.797 | S | S | * | * | | | cis | -172.4 | 125.9 | -31.9 | -78.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 86 | I | 47.3 | Very low | 49.4 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | 38.4 | 125.8 | 148.5 | -49.8 | 164.9 | 0 | 0 | 0 | 122.1 | | |
| 87 | A | 46.5 | Very low | 48.8 | Very low | 82 Ų | 82 | 121.2 Ų | 121.2 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | 179 | 122.1 | 130 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 88 | T | 46 | Very low | 49 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | | 52.6 | 137.1 | 82.9 | 52 | 0 | 0 | 0 | 0 | 114.2 | | |
| 89 | E | 46.4 | Very low | 48.6 | Very low | 163 Ų | 163 | 124.3 Ų | 124.3 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | cis | -167.1 | 167.5 | 18.8 | -139.2 | 174 | -117.6 | 0 | 0 | 115.3 | | |
| 90 | T | 47 | Very low | 48.6 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | | | trans | 50.2 | 114.2 | 147.7 | 25.8 | 0 | 0 | 0 | 0 | 126.3 | | |
| 91 | S | 43.8 | Very low | 48.7 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | | 67.8 | 132.4 | 123.2 | 72.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 92 | G | 47.8 | Very low | 48.6 | Very low | 82 Ų | 82 | 131 Ų | 131 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | -163.5 | 123.4 | 162 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 93 | R | 45.4 | Very low | 48.8 | Very low | 253 Ų | 253 | 131 Ų | 131 | 96% | 0.955 | 79% | 0.793 | S | S | * | * | | | trans | -87.8 | 152.2 | -177.5 | -64.6 | 171 | 169.9 | -170.9 | -3.3 | 112.1 | | |
| 94 | S | 50.8 | Low | 48.4 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | | -176.5 | 131.1 | 128.2 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 95 | C | 41.6 | Very low | 48 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | | | trans | -138.7 | 121.2 | 168.7 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 96 | S | 56 | Low | 48 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -166.3 | 138.8 | 166.2 | 56.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 97 | G | 42.4 | Very low | 47.9 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | cis | 146.4 | 124.6 | 2.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 98 | S | 57.2 | Low | 47.9 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -164 | 126.8 | 173.1 | 53 | 0 | 0 | 0 | 0 | 111.6 | | |
| 99 | N | 46.1 | Very low | 48 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | | | trans | -81 | 157.5 | -175.6 | -58.6 | -43.4 | 0 | 0 | 0 | 112.7 | | |
| 100 | W | 55.1 | Low | 47.9 | Very low | 252 Ų | 252 | 138 Ų | 138 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | | | trans | -128.8 | 122.9 | 150 | -78.2 | 92.5 | 0 | 0 | 0 | 109 | | |
| 101 | T | 51.1 | Low | 48.1 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | | | trans | -105.6 | 127.4 | -175.5 | -50.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 102 | T | 49.9 | Very low | 48.4 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -101 | 134.2 | 169.2 | 41.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 103 | P | 57.7 | Low | 48.2 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 138.7 | 167.4 | 32.7 | -28.2 | 0 | 0 | 0 | 111 | | |
| 104 | S | 44.3 | Very low | 48.9 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 148 | 177.7 | 57.6 | 0 | 0 | 0 | 0 | 113 | | |
| 105 | A | 40.3 | Very low | 49 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | 44.9 | 120.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 106 | N | 46.2 | Very low | 49.6 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | | | trans | -140.2 | 137.3 | 134.4 | -137.1 | -12.2 | 0 | 0 | 0 | 110.8 | | |
| 107 | T | 44.4 | Very low | 49.3 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | -90.8 | 174.9 | -173.5 | 19.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 108 | T | 46.2 | Very low | 49.7 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | | | trans | 96.8 | 100.1 | 158.8 | -37.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 109 | W | 47.7 | Very low | 49.4 | Very low | 253 Ų | 253 | 153.3 Ų | 153.3 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | | | trans | -145.3 | 129.2 | 134.2 | -99.4 | 93.2 | 0 | 0 | 0 | 108.5 | | |
| 110 | Q | 44.3 | Very low | 49.2 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | trans | -96.4 | 172.3 | 176.6 | -69.8 | 174.9 | -60.3 | 0 | 0 | 110.5 | | |
| 111 | N | 52.9 | Low | 49.1 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | 79.6 | 100.5 | 167.2 | -46.2 | -35.1 | 0 | 0 | 0 | 115.8 | | |
| 112 | Y | 48 | Very low | 48.7 | Very low | 212 Ų | 212 | 142.6 Ų | 142.6 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | | | | -157.8 | 135.4 | 96.9 | -119.1 | -95.3 | 0 | 0 | 0 | 109.1 | | |
| 113 | V | 45.3 | Very low | 48.5 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -127.2 | 118.2 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 106.3 | | |
| 114 | E | 58.4 | Low | 48 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -143.1 | 133.6 | 165.9 | -136.6 | 158.2 | -160.2 | 0 | 0 | 111.5 | | |
| 115 | D | 53.1 | Low | 48.1 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 58% | 0.578 | 77% | 0.774 | S | S | * | * | | | trans | -59.3 | 135.1 | -167.4 | -158.4 | -2.7 | 0 | 0 | 0 | 113.2 | R117 | D115-R117 IonicContact OD1-NE 3.9Å; D115-R117 IonicContact OD2-NE 2.61Å; D115-R117 IonicContact OD2-NH2 3.95Å |
| 116 | Q | 54.2 | Low | 48.3 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | | | trans | -151.2 | 119.7 | 133.8 | -79.4 | -140.5 | 4.8 | 0 | 0 | 111 | | |
| 117 | R | 49.4 | Very low | 48.3 | Very low | 215 Ų | 215 | 146.7 Ų | 146.7 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | -89.5 | 135.7 | 171.9 | -53.9 | 170.6 | -156.1 | -157.3 | 2.4 | 109 | D115 | D115-R117 IonicContact OD1-NE 3.9Å; D115-R117 IonicContact OD2-NE 2.61Å; D115-R117 IonicContact OD2-NH2 3.95Å |
| 118 | G | 52.1 | Low | 48.2 | Very low | 67 Ų | 67 | 149 Ų | 149 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | trans | -173.4 | 85.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 119 | I | 51.6 | Low | 48.1 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 89% | 0.892 | 77% | 0.77 | S | S | * | * | | | trans | 62.4 | 110.6 | 151.3 | -50.9 | 173.3 | 0 | 0 | 0 | 116.2 | | |
| 120 | G | 41.9 | Very low | 47.8 | Very low | 60 Ų | 60 | 150 Ų | 150 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | | | trans | -95.4 | 166.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 121 | N | 51.1 | Low | 47.7 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | trans | -166.8 | 110 | 140.8 | -88.7 | -27.8 | 0 | 0 | 0 | 105.7 | | |
| 122 | A | 44.1 | Very low | 46.8 | Very low | 76 Ų | 76 | 151.7 Ų | 151.7 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | | | | 67.3 | 101.4 | 101.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 123 | Q | 45.9 | Very low | 46.3 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | | 71.5 | 134.4 | 103.2 | -73.1 | -172.1 | -88 | 0 | 0 | 112.5 | | |
| 124 | E | 47.3 | Very low | 45.9 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | cis | -163.4 | 159.3 | 26.5 | -169.1 | 74.6 | 179.6 | 0 | 0 | 108.9 | | |
| 125 | A | 46.5 | Very low | 45 | Very low | 89 Ų | 89 | 147.2 Ų | 147.2 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | 58.7 | 158.1 | 147.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 126 | N | 44.3 | Very low | 44.4 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | cis | -157.3 | 165.7 | -33 | -149.5 | -34 | 0 | 0 | 0 | 108.2 | | |
| 127 | K | 45.5 | Very low | 43.5 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | | | trans | -45 | 142.5 | -179.1 | -50.3 | 142 | -168.8 | 173.8 | 0 | 115.4 | | |
| 128 | Q | 43 | Very low | 43.4 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | | 167.5 | 116.5 | 110 | -89.6 | 172.3 | -10.5 | 0 | 0 | 109.9 | | |
| 129 | Q | 43.4 | Very low | 42.8 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | | 83.5 | 104.7 | 80.8 | -130.1 | 174.8 | -13.5 | 0 | 0 | 114.7 | | |
| 130 | R | 42.3 | Very low | 42.1 | Very low | 225 Ų | 225 | 145.6 Ų | 145.6 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | | | trans | 33.2 | 115.5 | 143.8 | -56.1 | 179.5 | -175.8 | -172.8 | 0.8 | 118.8 | | |
| 131 | Y | 40.7 | Very low | 41.9 | Very low | 202 Ų | 202 | 147.3 Ų | 147.3 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | | -154.6 | 130.9 | 116.4 | -130.7 | -92.6 | 0 | 0 | 0 | 111 | E133 | Y131-E133 HydrophobicContact CD1-CB 4.38Å; Y131-E133 HydrophobicContact CE1-CB 4.19Å |
| 132 | C | 34 | Very low | 41.4 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | -126.6 | 118.5 | 161.5 | -69.5 | 0 | 0 | 0 | 0 | 105.8 | | |
| 133 | E | 38.6 | Very low | 41.4 | Very low | 166 Ų | 166 | 152.7 Ų | 152.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -155.6 | 148.4 | 156.6 | -120.9 | 155.3 | -142.4 | 0 | 0 | 112.1 | Y131 | Y131-E133 HydrophobicContact CD1-CB 4.38Å; Y131-E133 HydrophobicContact CE1-CB 4.19Å |
| 134 | S | 37.2 | Very low | 41.5 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | trans | -82.8 | 143.6 | -169.4 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 135 | L | 39.9 | Very low | 41.8 | Very low | 177 Ų | 177 | 149 Ų | 149 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | | | trans | -120.5 | 136.9 | 154 | -73.4 | 176.3 | 0 | 0 | 0 | 110.5 | | |
| 136 | L | 39.8 | Very low | 41.5 | Very low | 160 Ų | 160 | 155.8 Ų | 155.8 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 149.9 | -171.7 | -64.4 | 118.8 | 0 | 0 | 0 | 111.6 | | |
| 137 | S | 34.7 | Very low | 41.7 | Very low | 108 Ų | 108 | 156.1 Ų | 156.1 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 150.9 | 164.4 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 138 | P | 48.7 | Very low | 41.5 | Very low | 128 Ų | 128 | 154.9 Ų | 154.9 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 141.3 | 147.3 | 0.8 | 19.2 | 0 | 0 | 0 | 110.3 | | |
| 139 | T | 38.2 | Very low | 41.4 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | | | trans | -104.9 | 175.1 | 172.2 | -51 | 0 | 0 | 0 | 0 | 109.6 | | |
| 140 | Y | 36.5 | Very low | 41.6 | Very low | 221 Ų | 221 | 153.3 Ų | 153.3 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | 85 | 145.6 | 173.2 | -52.9 | -78.7 | 0 | 0 | 0 | 115.5 | | |
| 141 | A | 39 | Very low | 41.8 | Very low | 95 Ų | 95 | 148.2 Ų | 148.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | cis | -140.5 | 148.8 | 9.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 142 | A | 39.5 | Very low | 42.1 | Very low | 101 Ų | 101 | 145 Ų | 145 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | -99.3 | 133.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 143 | R | 45.2 | Very low | 42.8 | Very low | 251 Ų | 251 | 146.4 Ų | 146.4 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | | | trans | -83.1 | 139.8 | 178.6 | -78.9 | 177.7 | 167 | 178.7 | -4.4 | 111.5 | | |
| 144 | T | 48.3 | Very low | 43.2 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -135.5 | 132.4 | 154 | 51.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 145 | P | 52.7 | Low | 43.6 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -97.6 | 125.5 | 170.8 | 33.9 | -26.7 | 0 | 0 | 0 | 111 | | |
| 146 | Y | 39.7 | Very low | 43.9 | Very low | 230 Ų | 230 | 143.2 Ų | 143.2 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -117.2 | 123.7 | 152.9 | -99.1 | -84.1 | 0 | 0 | 0 | 107 | | |
| 147 | V | 49.3 | Very low | 44.1 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -109.6 | 132.5 | 170.9 | 175.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 148 | L | 40.6 | Very low | 44.7 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | trans | -101.1 | 165.6 | -178.8 | -89.1 | 165 | 0 | 0 | 0 | 111.5 | | |
| 149 | Q | 41.9 | Very low | 44.5 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | 78.5 | 115 | 146.6 | -88 | 172.1 | -29.5 | 0 | 0 | 120.8 | | |
| 150 | N | 47 | Very low | 44.6 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | | 147.3 | 144.9 | 123.4 | -75.4 | -24.2 | 0 | 0 | 0 | 109.5 | | |
| 151 | N | 46.8 | Very low | 44.9 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 63% | 0.631 | 80% | 0.802 | S | S | * | * | | | cis | -170.9 | 157 | -20.3 | -108.4 | -9.7 | 0 | 0 | 0 | 106.7 | | |
| 152 | N | 47.4 | Very low | 44.9 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | 66.3 | 135.7 | 157.8 | -54.9 | -2 | 0 | 0 | 0 | 116.3 | | |
| 153 | D | 49 | Very low | 45.2 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | cis | -165.5 | 167.5 | 33 | -96.8 | -41.7 | 0 | 0 | 0 | 112.7 | | |
| 154 | A | 45.7 | Very low | 45.2 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | 65 | 99.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 155 | L | 44.9 | Very low | 45.2 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -73.9 | 173.5 | 144.5 | -91.3 | 165.6 | 0 | 0 | 0 | 110.3 | | |
| 156 | P | 48.2 | Very low | 45.4 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | | | cis | -148.2 | 173.8 | 30.5 | 43.8 | -23.5 | 0 | 0 | 0 | 120 | | |
| 157 | N | 43.3 | Very low | 46.6 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | trans | 49 | 119.8 | 148.2 | -88.7 | -10.3 | 0 | 0 | 0 | 121.3 | | |
| 158 | E | 46.3 | Very low | 47.6 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | | | | -148.6 | 155 | 123.2 | -124.6 | 172.7 | -158.3 | 0 | 0 | 111.8 | | |
| 159 | Q | 44.3 | Very low | 49.7 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -91.9 | 138 | -164.7 | -57.8 | 162 | -58.7 | 0 | 0 | 112.4 | | |
| 160 | Y | 41 | Very low | 51.8 | Low | 237 Ų | 237 | 135.5 Ų | 135.5 | 93% | 0.929 | 78% | 0.775 | S | S | * | * | | | trans | -139.2 | 149.6 | 153.2 | -89.4 | -76.5 | 0 | 0 | 0 | 112.4 | | |
| 161 | A | 42.8 | Very low | 53.7 | Low | 97 Ų | 97 | 134.1 Ų | 134.1 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | -83.8 | 160.9 | -155.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 162 | A | 39.2 | Very low | 55.8 | Low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | | | trans | -67.4 | 138.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 163 | A | 45.2 | Very low | 58 | Low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | | | trans | -132.1 | 127.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110 | G165 | A163-G165 PolarHBondContact O-N 2.9Å; A163-G165 VanDerWaalsContact O-N 3.13Å |
| 164 | N | 45.8 | Very low | 60.1 | Low | 164 Ų | 164 | 125.8 Ų | 125.8 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | | | trans | -71.5 | 103.4 | -173.3 | -73.8 | -51.2 | 0 | 0 | 0 | 112.5 | R166 | N164-R166 PolarHBondContact O-N 3.14Š|
| 165 | G | 48.2 | Very low | 62.3 | Low | 80 Ų | 80 | 128.3 Ų | 128.3 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | | | trans | -73.6 | 81.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A163 S167 | A163-G165 PolarHBondContact O-N 2.9Å; A163-G165 VanDerWaalsContact O-N 3.13Å; G165-S167 PolarHBondContact O-N 2.76Å |
| 166 | R | 57.8 | Low | 64.5 | Low | 238 Ų | 238 | 122.9 Ų | 122.9 | 90% | 0.898 | 69% | 0.69 | S | S | * | * | | | trans | -62.8 | 117.4 | 165.5 | -80.9 | -176.2 | 174.3 | 177.5 | -0.9 | 109.2 | N164 S168 | N164-R166 PolarHBondContact O-N 3.14Å; R166-S168 PolarHBondContact O-N 3.43Å |
| 167 | S | 63.4 | Low | 66.4 | Low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | | | trans | -68.4 | 101.3 | 175.9 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | G165 G169 | G165-S167 PolarHBondContact O-N 2.76Å; S167-G169 VanDerWaalsContact C-N 3.29Å; S167-G169 PolarHBondContact O-N 3.29Å |
| 168 | S | 71.7 | Confident | 68.8 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | | | trans | -72.1 | 82.6 | 172 | 43 | 0 | 0 | 0 | 0 | 110.3 | R166 K170 | R166-S168 PolarHBondContact O-N 3.43Å; S168-K170 PolarHBondContact O-N 3.48Å; S168-K170 VanDerWaalsContact O-N 3.14Å |
| 169 | G | 83.8 | Confident | 71.1 | Confident | 26 Ų | 26 | 116 Ų | 116 | 27% | 0.268 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 118.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S167 L171 | S167-G169 VanDerWaalsContact C-N 3.29Å; S167-G169 PolarHBondContact O-N 3.29Å; G169-L171 PolarHBondContact O-N 3.42Å |
| 170 | K | 85.7 | Confident | 73.4 | Confident | 156 Ų | 156 | 112.4 Ų | 112.4 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 132.3 | -178.5 | -70.3 | -177.4 | 177.5 | -179 | 0 | 110.2 | S168 F172 | S168-K170 PolarHBondContact O-N 3.48Å; S168-K170 VanDerWaalsContact O-N 3.14Å; K170-F172 HydrophobicContact CB-CE2 3.89Å; K170-F172 HydrophobicContact CB-CZ 4.19Å |
| 171 | L | 88.2 | Confident | 76.1 | Confident | 108 Ų | 108 | 105.8 Ų | 105.8 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.4 | 171.6 | -161.8 | 74 | 0 | 0 | 0 | 108.3 | G169 Y183 M184 R185 | G169-L171 PolarHBondContact O-N 3.42Å; L171-Y183 HydrophobicContact CD2-CD1 3.73Å; L171-Y183 HydrophobicContact CD2-CG 4.4Å; L171-Y183 HydrophobicContact CG-CD1 4.3Å; L171-M184 WeakPolarHBondContact CA-O 3.38Å; L171-R185 HydrophobicContact CD1-CB 4.04Å |
| 172 | F | 90.3 | Very high | 78.5 | Confident | 93 Ų | 93 | 106.7 Ų | 106.7 | 41% | 0.408 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 136.5 | 175.2 | -65.5 | -90.4 | 0 | 0 | 0 | 109.5 | K170 Y183 M184 M186 | K170-F172 HydrophobicContact CB-CE2 3.89Å; K170-F172 HydrophobicContact CB-CZ 4.19Å; F172-Y183 WeakPolarHBondContact O-CA 3.13Å; F172-M184 PolarHBondContact N-O 3.23Å; F172-M184 PolarHBondContact O-N 3Å; F172-M186 HydrophobicContact CD2-CE 4.16Å; F172-M186 HydrophobicContact CD2-CG 4.12Å; F172-M186 HydrophobicContact CD2-SD 4.27Å; F172-M186 HydrophobicContact CE2-CB 4.32Å; F172-M186 HydrophobicContact CE2-CE 4.42Å; F172-M186 HydrophobicContact CE2-CG 4.16Å; F172-M186 HydrophobicContact CE2-SD 4.05Å |
| 173 | V | 93.2 | Very high | 81.1 | Confident | 74 Ų | 74 | 108.9 Ų | 108.9 | 45% | 0.448 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 116.7 | 169.8 | -172 | 0 | 0 | 0 | 0 | 107.9 | Q181 Y182 Y183 | V173-Q181 HydrophobicContact CG1-CB 4.16Å; V173-Y182 WeakPolarHBondContact CA-O 3.3Å; V173-Y183 HydrophobicContact CG1-CE1 4.47Å; V173-Y183 HydrophobicContact CG2-CD1 3.79Å; V173-Y183 HydrophobicContact CG2-CE1 3.59Å |
| 174 | V | 92.9 | Very high | 83.3 | Confident | 62 Ų | 62 | 108.4 Ų | 108.4 | 38% | 0.376 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.2 | 172.5 | 172.4 | 0 | 0 | 0 | 0 | 108.7 | Q181 Y182 M184 | V174-Q181 WeakPolarHBondContact O-CA 3.25Å; V174-Y182 PolarHBondContact N-O 2.61Å; V174-Y182 PolarHBondContact O-N 2.84Å; V174-M184 HydrophobicContact CB-CE 4.15Å; V174-M184 HydrophobicContact CG2-CE 3.41Å; V174-M184 VanDerWaalsContact CG2-CE 3.41Å |
| 175 | K | 91.9 | Very high | 85.3 | Confident | 151 Ų | 151 | 108.7 Ų | 108.7 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.4 | 173.2 | -58.6 | -167.7 | 178.7 | -178.9 | 0 | 109.1 | Q180 Q181 | K175-Q180 WeakPolarHBondContact CA-O 3.35Å; K175-Q181 HydrophobicContact CG-CG 4.1Å |
| 176 | C | 90.8 | Very high | 86.9 | Confident | 51 Ų | 51 | 110 Ų | 110 | 35% | 0.345 | 57% | 0.566 | S | S | . | * | | | trans | -88 | 160.7 | 174.2 | -68.3 | 0 | 0 | 0 | 0 | 110.9 | N178 G179 Q180 Y182 | C176-N178 WeakPolarHBondContact CB-OD1 3.2Å; C176-N178 PolarHBondContact O-N 2.99Å; C176-N178 VanDerWaalsContact O-N 3.15Å; C176-G179 PolarHBondContact O-N 2.91Å; C176-Q180 PolarHBondContact N-O 3.19Å; C176-Y182 HydrophobicContact CB-CE2 4.43Å; C176-Y182 VanDerWaalsContact SG-CE2 3.59Å |
| 177 | S | 89.1 | Confident | 87.9 | Confident | 140 Ų | 140 | 104.9 Ų | 104.9 | 98% | 0.979 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -18.6 | 178.9 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | G179 | S177-G179 VanDerWaalsContact C-N 3.27Å; S177-G179 PolarHBondContact O-N 2.82Å |
| 178 | N | 93.9 | Very high | 87.6 | Confident | 101 Ų | 101 | 104.1 Ų | 104.1 | 54% | 0.54 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | 8.1 | 171.8 | 69.6 | -5 | 0 | 0 | 0 | 113.9 | C176 Q180 | C176-N178 WeakPolarHBondContact CB-OD1 3.2Å; C176-N178 PolarHBondContact O-N 2.99Å; C176-N178 VanDerWaalsContact O-N 3.15Å; N178-Q180 VanDerWaalsContact C-N 3.29Å; N178-Q180 PolarHBondContact ND2-OE1 3.13Å; N178-Q180 PolarHBondContact O-N 2.84Å; N178-Q180 WeakPolarHBondContact OD1-CB 3.3Å; N178-Q180 WeakPolarHBondContact OD1-CG 3.04Å; N178-Q180 PolarHBondContact OD1-N 3.39Å; N178-Q180 VanDerWaalsContact OD1-N 3.11Å |
| 179 | G | 94.3 | Very high | 87 | Confident | 58 Ų | 58 | 106 Ų | 106 | 60% | 0.598 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 81.8 | -8.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C176 S177 | C176-G179 PolarHBondContact O-N 2.91Å; S177-G179 VanDerWaalsContact C-N 3.27Å; S177-G179 PolarHBondContact O-N 2.82Å |
| 180 | Q | 93 | Very high | 85.2 | Confident | 97 Ų | 97 | 113.7 Ų | 113.7 | 45% | 0.453 | 59% | 0.593 | S | S | . | * | | | trans | -69.1 | 146.2 | 177.9 | -66.2 | 176.7 | -24.1 | 0 | 0 | 111.6 | K175 C176 N178 Y182 | K175-Q180 WeakPolarHBondContact CA-O 3.35Å; C176-Q180 PolarHBondContact N-O 3.19Å; N178-Q180 VanDerWaalsContact C-N 3.29Å; N178-Q180 PolarHBondContact ND2-OE1 3.13Å; N178-Q180 PolarHBondContact O-N 2.84Å; N178-Q180 WeakPolarHBondContact OD1-CB 3.3Å; N178-Q180 WeakPolarHBondContact OD1-CG 3.04Å; N178-Q180 PolarHBondContact OD1-N 3.39Å; N178-Q180 VanDerWaalsContact OD1-N 3.11Å; Q180-Y182 HydrophobicContact CB-CD2 4.47Å; Q180-Y182 HydrophobicContact CB-CE2 3.71Å; Q180-Y182 PolarHBondContact OE1-OH 2.99Å |
| 181 | Q | 96.1 | Very high | 83.2 | Confident | 98 Ų | 98 | 109.3 Ų | 109.3 | 46% | 0.458 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.7 | 178.9 | -47.9 | -165.6 | 28.6 | 0 | 0 | 110.1 | V173 V174 K175 | V173-Q181 HydrophobicContact CG1-CB 4.16Å; V174-Q181 WeakPolarHBondContact O-CA 3.25Å; K175-Q181 HydrophobicContact CG-CG 4.1Å |
| 182 | Y | 94.5 | Very high | 81.2 | Confident | 116 Ų | 116 | 113.8 Ų | 113.8 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.1 | -179.1 | -67.9 | -92.7 | 0 | 0 | 0 | 110.4 | V173 V174 C176 Q180 | V173-Y182 WeakPolarHBondContact CA-O 3.3Å; V174-Y182 PolarHBondContact N-O 2.61Å; V174-Y182 PolarHBondContact O-N 2.84Å; C176-Y182 HydrophobicContact CB-CE2 4.43Å; C176-Y182 VanDerWaalsContact SG-CE2 3.59Å; Q180-Y182 HydrophobicContact CB-CD2 4.47Å; Q180-Y182 HydrophobicContact CB-CE2 3.71Å; Q180-Y182 PolarHBondContact OE1-OH 2.99Å |
| 183 | Y | 93.5 | Very high | 78.7 | Confident | 151 Ų | 151 | 117.9 Ų | 117.9 | 59% | 0.592 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 109.3 | 177.7 | -63.5 | -90.2 | 0 | 0 | 0 | 109.9 | L171 F172 V173 | L171-Y183 HydrophobicContact CD2-CD1 3.73Å; L171-Y183 HydrophobicContact CD2-CG 4.4Å; L171-Y183 HydrophobicContact CG-CD1 4.3Å; F172-Y183 WeakPolarHBondContact O-CA 3.13Å; V173-Y183 HydrophobicContact CG1-CE1 4.47Å; V173-Y183 HydrophobicContact CG2-CD1 3.79Å; V173-Y183 HydrophobicContact CG2-CE1 3.59Å |
| 184 | M | 90.8 | Very high | 76.4 | Confident | 86 Ų | 86 | 124.2 Ų | 124.2 | 42% | 0.424 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 126 | 178.6 | -71.3 | -166.7 | -71.1 | 0 | 0 | 111.4 | L171 F172 V174 | L171-M184 WeakPolarHBondContact CA-O 3.38Å; F172-M184 PolarHBondContact N-O 3.23Å; F172-M184 PolarHBondContact O-N 3Å; V174-M184 HydrophobicContact CB-CE 4.15Å; V174-M184 HydrophobicContact CG2-CE 3.41Å; V174-M184 VanDerWaalsContact CG2-CE 3.41Å |
| 185 | R | 88.2 | Confident | 73.9 | Confident | 170 Ų | 170 | 125.9 Ų | 125.9 | 64% | 0.642 | 67% | 0.668 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 106 | 171.3 | -169.2 | -178.9 | -168.3 | -170.7 | 0.8 | 109.3 | L171 N187 | L171-R185 HydrophobicContact CD1-CB 4.04Å; R185-N187 PolarHBondContact O-N 3.41Å |
| 186 | M | 81.9 | Confident | 72.1 | Confident | 107 Ų | 107 | 126.5 Ų | 126.5 | 53% | 0.527 | 67% | 0.673 | S | S | . | * | | | trans | -85.2 | 114.1 | 175.6 | -63.1 | -169.9 | -166 | 0 | 0 | 110.2 | F172 A188 | F172-M186 HydrophobicContact CD2-CE 4.16Å; F172-M186 HydrophobicContact CD2-CG 4.12Å; F172-M186 HydrophobicContact CD2-SD 4.27Å; F172-M186 HydrophobicContact CE2-CB 4.32Å; F172-M186 HydrophobicContact CE2-CE 4.42Å; F172-M186 HydrophobicContact CE2-CG 4.16Å; F172-M186 HydrophobicContact CE2-SD 4.05Å; M186-A188 PolarHBondContact O-N 3.13Å |
| 187 | N | 78.6 | Confident | 70.2 | Confident | 131 Ų | 131 | 132.5 Ų | 132.5 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | | | trans | -77.9 | 101.7 | 168.2 | -73.1 | -21 | 0 | 0 | 0 | 108.8 | R185 N189 | R185-N187 PolarHBondContact O-N 3.41Å; N187-N189 VanDerWaalsContact C-N 3.29Å; N187-N189 PolarHBondContact O-N 3.21Å |
| 188 | A | 57.6 | Low | 68.5 | Low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | | | trans | -73.6 | 79.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M186 | M186-A188 PolarHBondContact O-N 3.13Š|
| 189 | N | 58.5 | Low | 66.3 | Low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | | | trans | -163.6 | 88.6 | 162.7 | -98.2 | -26.7 | 0 | 0 | 0 | 111.2 | N187 | N187-N189 VanDerWaalsContact C-N 3.29Å; N187-N189 PolarHBondContact O-N 3.21Å |
| 190 | L | 46.2 | Very low | 64.3 | Low | 187 Ų | 187 | 139.7 Ų | 139.7 | 98% | 0.979 | 71% | 0.712 | S | S | * | * | | | trans | -128.8 | 69.1 | 160.4 | -81.7 | 174.6 | 0 | 0 | 0 | 108.7 | | |
| 191 | G | 43.8 | Very low | 62.4 | Low | 65 Ų | 65 | 142.6 Ų | 142.6 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | | | trans | -122 | 111 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 192 | K | 45.2 | Very low | 60.2 | Low | 202 Ų | 202 | 146.9 Ų | 146.9 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | | | trans | 58.3 | 93.6 | 165.8 | -56.7 | 176.6 | -176.7 | 175.2 | 0 | 116.2 | R194 | K192-R194 PolarHBondContact O-N 3.14Š|
| 193 | I | 39.3 | Very low | 57.7 | Low | 179 Ų | 179 | 147 Ų | 147 | 92% | 0.918 | 77% | 0.766 | S | S | * | * | | | trans | -73.6 | 109.9 | 144.3 | -60.5 | 172.6 | 0 | 0 | 0 | 106.5 | | |
| 194 | R | 43.9 | Very low | 55.7 | Low | 207 Ų | 207 | 145.8 Ų | 145.8 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | -112.4 | 125.3 | 156 | -112.4 | -168.6 | -176.1 | -168.3 | 1.8 | 106.7 | K192 E196 | K192-R194 PolarHBondContact O-N 3.14Å; R194-E196 IonicContact NH1-OE1 3.84Å |
| 195 | A | 41.1 | Very low | 53.7 | Low | 97 Ų | 97 | 150.1 Ų | 150.1 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -77.6 | 121 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 196 | E | 53.1 | Low | 51.5 | Low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | trans | -129.9 | 122.7 | 157.7 | -104.1 | 160.4 | -144 | 0 | 0 | 106.8 | R194 | R194-E196 IonicContact NH1-OE1 3.84Š|
| 197 | E | 51.7 | Low | 49.9 | Very low | 178 Ų | 178 | 149 Ų | 149 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | -92.1 | 114.2 | -168.7 | -179.1 | 177.1 | 179.6 | 0 | 0 | 107.7 | | |
| 198 | L | 52.7 | Low | 48.2 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | | | trans | -113.7 | 107.8 | 178.8 | -114.6 | 163.8 | 0 | 0 | 0 | 109.3 | | |
| 199 | Q | 47.5 | Very low | 47.7 | Very low | 165 Ų | 165 | 152 Ų | 152 | 77% | 0.771 | 82% | 0.822 | S | S | * | * | | | trans | -73.9 | 126.6 | 172.1 | -66.1 | 168.8 | -16.3 | 0 | 0 | 109.5 | | |
| 200 | S | 53.1 | Low | 47 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -153.3 | 113 | 153.2 | 65.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 201 | D | 52.5 | Low | 46.7 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | -74.3 | 134.3 | 174.8 | -56.8 | -71.6 | 0 | 0 | 0 | 111.5 | | |
| 202 | E | 50.8 | Low | 46.7 | Very low | 187 Ų | 187 | 153.8 Ų | 153.8 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -177.7 | 126 | 140.5 | -93.4 | -110.2 | 115 | 0 | 0 | 109.5 | | |
| 203 | P | 42.5 | Very low | 46.7 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | trans | -113.3 | 133.5 | -176 | 37.3 | -28.3 | 0 | 0 | 0 | 114.2 | | |
| 204 | V | 50.4 | Low | 46.5 | Very low | 126 Ų | 126 | 147 Ų | 147 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | | | trans | -140.4 | 118.4 | 162.9 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 205 | Q | 48.4 | Very low | 46.5 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | 31.4 | 109.1 | 151.2 | -62.7 | 171.1 | -18.9 | 0 | 0 | 118.5 | | |
| 206 | A | 42.5 | Very low | 46.3 | Very low | 89 Ų | 89 | 144.1 Ų | 144.1 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | | 86.6 | 106.9 | 68.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 207 | D | 49.7 | Very low | 46.1 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | -169.6 | 123.9 | 133.7 | -101.4 | -22.2 | 0 | 0 | 0 | 111 | | |
| 208 | I | 40.8 | Very low | 45.5 | Very low | 161 Ų | 161 | 147 Ų | 147 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -146.2 | 131.5 | 171.1 | -49 | 174.7 | 0 | 0 | 0 | 107 | | |
| 209 | P | 47.5 | Very low | 45.3 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | | -147.2 | 140.6 | 123.9 | 32.5 | -15.7 | 0 | 0 | 0 | 114.1 | | |
| 210 | G | 44.7 | Very low | 45.2 | Very low | 82 Ų | 82 | 149.7 Ų | 149.7 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | | | trans | 168.7 | 48.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 211 | H | 39.9 | Very low | 44.8 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 62% | 0.62 | 81% | 0.814 | S | S | * | * | | | trans | -104.2 | 126.4 | 176.9 | 157.1 | -65.7 | 0 | 0 | 0 | 111.4 | | |
| 212 | W | 43.6 | Very low | 44.6 | Very low | 227 Ų | 227 | 149.1 Ų | 149.1 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -152.1 | 102.5 | 147.6 | -76.6 | 98 | 0 | 0 | 0 | 108.3 | | |
| 213 | Q | 45 | Very low | 44.7 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 65% | 0.645 | 81% | 0.811 | S | S | * | * | | | | 77.6 | 115.9 | 84.9 | -135.9 | 177.1 | 29.9 | 0 | 0 | 114.3 | | |
| 214 | A | 36.1 | Very low | 45 | Very low | 100 Ų | 100 | 148 Ų | 148 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | | | trans | -80.1 | 147.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 215 | S | 44 | Very low | 45 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -110.7 | 121.7 | 172.3 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 216 | T | 37 | Very low | 44.7 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | -104.9 | 109.5 | 165.4 | 49.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 217 | N | 48 | Very low | 44.7 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | | | trans | -105.1 | 123.4 | 163.9 | -84.7 | -3.4 | 0 | 0 | 0 | 109.2 | | |
| 218 | W | 38.5 | Very low | 44.4 | Very low | 246 Ų | 246 | 148.2 Ų | 148.2 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | | | trans | -91.3 | 126.1 | 162 | -79.7 | 62 | 0 | 0 | 0 | 107.5 | | |
| 219 | E | 48.9 | Very low | 44.5 | Very low | 189 Ų | 189 | 149.3 Ų | 149.3 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | -129.9 | 150.3 | 157.9 | -78.6 | -166.9 | 135.3 | 0 | 0 | 110.1 | | |
| 220 | Q | 44.6 | Very low | 44.3 | Very low | 203 Ų | 203 | 151 Ų | 151 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | | | trans | -88.4 | 147.9 | -165.7 | -62 | 162.2 | -58.3 | 0 | 0 | 111.2 | | |
| 221 | G | 45 | Very low | 44.5 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | -164.1 | 100.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 222 | E | 49.7 | Very low | 44.7 | Very low | 187 Ų | 187 | 151.4 Ų | 151.4 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | 25.8 | 129.5 | 153.8 | -60.2 | -93.6 | 102.6 | 0 | 0 | 120.3 | | |
| 223 | P | 51.4 | Low | 44.9 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | | | trans | -90.5 | 143.8 | 163.1 | 36.1 | -29.8 | 0 | 0 | 0 | 112 | | |
| 224 | D | 50.4 | Low | 45 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | | | trans | -129.8 | 152.8 | 166.5 | -125.6 | -5.6 | 0 | 0 | 0 | 109.8 | | |
| 225 | P | 48.6 | Very low | 45.4 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | | | trans | -91.6 | 168.1 | -146.7 | 34.9 | -39.7 | 0 | 0 | 0 | 117 | | |
| 226 | E | 43.5 | Very low | 45.7 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | | | trans | -58 | 128.3 | 178.1 | -59.2 | 178 | 133.8 | 0 | 0 | 113.7 | | |
| 227 | L | 41.2 | Very low | 46.6 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | trans | -105.5 | 91.8 | 164.2 | -96.9 | 165.2 | 0 | 0 | 0 | 110.1 | F229 | L227-F229 HydrophobicContact CD2-CE2 4.25Å; L227-F229 PolarHBondContact O-N 3.36Å |
| 228 | C | 43 | Very low | 46.3 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | | | trans | -80.9 | 111.7 | 170.4 | -72.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 229 | F | 44.4 | Very low | 46.9 | Very low | 183 Ų | 183 | 144 Ų | 144 | 80% | 0.803 | 82% | 0.82 | S | S | * | * | | | trans | -95.1 | 124.8 | 162 | -77.4 | -90.6 | 0 | 0 | 0 | 110.2 | L227 | L227-F229 HydrophobicContact CD2-CE2 4.25Å; L227-F229 PolarHBondContact O-N 3.36Å |
| 230 | L | 42.3 | Very low | 46.8 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | | | trans | -127.2 | 140.4 | 162.2 | -84.2 | 172.4 | 0 | 0 | 0 | 109.5 | | |
| 231 | P | 49.1 | Very low | 47.5 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | | | trans | -80.7 | 147.3 | -170.9 | 32 | -35.3 | 0 | 0 | 0 | 113.3 | | |
| 232 | S | 43.4 | Very low | 47.7 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -69.8 | 127 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 233 | Y | 48.4 | Very low | 47.7 | Very low | 224 Ų | 224 | 142.1 Ų | 142.1 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | | | trans | -100.7 | 110.8 | 165.9 | -91.8 | -88.9 | 0 | 0 | 0 | 109.9 | | |
| 234 | G | 46.5 | Very low | 47.7 | Very low | 73 Ų | 73 | 145.6 Ų | 145.6 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 121.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 235 | G | 45.3 | Very low | 47.5 | Very low | 77 Ų | 77 | 145.9 Ų | 145.9 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 134.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 236 | F | 50.8 | Low | 47.7 | Very low | 204 Ų | 204 | 148.2 Ų | 148.2 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -103 | 144.6 | 164.4 | -89.4 | -89.6 | 0 | 0 | 0 | 110.1 | | |
| 237 | P | 56.4 | Low | 47.7 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 140.5 | -173.2 | 32.3 | -34.7 | 0 | 0 | 0 | 112.6 | | |
| 238 | T | 41.4 | Very low | 48 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -76 | 125.7 | 168.6 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 239 | S | 49.8 | Very low | 48.3 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | | | trans | -114.3 | 120.2 | 166.8 | 59.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 240 | T | 47.2 | Very low | 48.6 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | | | trans | -122.3 | 146.3 | 163.2 | 45.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 241 | P | 58.6 | Low | 48.8 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | | | trans | -132.6 | 124.1 | 132.4 | 32.7 | -21.2 | 0 | 0 | 0 | 111.1 | | |
| 242 | N | 50.3 | Low | 48.8 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | | | trans | -71.2 | 127.6 | 164.6 | -95.2 | -31.2 | 0 | 0 | 0 | 108.9 | | |
| 243 | M | 50.2 | Low | 48.9 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | | | trans | -109.2 | 140.9 | 171 | -155.9 | 170.9 | -179.7 | 0 | 0 | 109.6 | | |
| 244 | Q | 51.3 | Low | 48.8 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | | | trans | -69.2 | 135.1 | -168.7 | -66.3 | 164.9 | -62.7 | 0 | 0 | 112.4 | | |
| 245 | I | 46.1 | Very low | 48.6 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 86% | 0.862 | 83% | 0.827 | S | S | * | * | | | trans | -87.8 | 128.5 | 160.5 | -63.3 | 170.9 | 0 | 0 | 0 | 107.3 | | |
| 246 | N | 52.6 | Low | 48.7 | Very low | 161 Ų | 161 | 149 Ų | 149 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | | | trans | -119.7 | 153 | 169.5 | -147.2 | 0.1 | 0 | 0 | 0 | 109.4 | | |
| 247 | A | 43 | Very low | 48.3 | Very low | 83 Ų | 83 | 145 Ų | 145 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | | | trans | -93.5 | 174.7 | -153.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 248 | Q | 47.2 | Very low | 47.7 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | trans | 110.1 | 116.9 | 149.2 | -65.9 | -173.3 | -22 | 0 | 0 | 120.2 | | |
| 249 | N | 50.3 | Low | 47.6 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 65% | 0.652 | 81% | 0.813 | S | S | * | * | | | trans | 90.4 | 112.6 | 132.4 | -64.8 | -1.6 | 0 | 0 | 0 | 122.2 | | |
| 250 | N | 51.2 | Low | 47.5 | Very low | 139 Ų | 139 | 150 Ų | 150 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | | | | 79.8 | 98.7 | 127.3 | -60.6 | -6 | 0 | 0 | 0 | 121 | | |
| 251 | N | 45.9 | Very low | 47.3 | Very low | 171 Ų | 171 | 151.7 Ų | 151.7 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | | | trans | 23.8 | 114.8 | 131 | -61.4 | 1.1 | 0 | 0 | 0 | 119 | | |
| 252 | G | 49.2 | Very low | 46.5 | Very low | 80 Ų | 80 | 153.2 Ų | 153.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -157.6 | 123.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 253 | I | 45 | Very low | 46.6 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | -88.9 | 135 | -175.9 | -63.2 | 154.5 | 0 | 0 | 0 | 110 | | |
| 254 | T | 45.8 | Very low | 46.5 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | | | trans | -164.8 | 143.5 | 136.9 | 20.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 255 | E | 44 | Very low | 46.5 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -77.3 | 151.2 | 172.7 | -56.1 | 169.1 | 125.4 | 0 | 0 | 111 | | |
| 256 | E | 47.1 | Very low | 47.3 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | | | trans | -156.2 | 134.6 | 139.2 | -123.5 | 173.7 | -146.4 | 0 | 0 | 111.2 | | |
| 257 | V | 41.5 | Very low | 47.2 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -101.2 | 128.6 | -177.5 | 171.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 258 | Y | 44.9 | Very low | 47.4 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 74% | 0.737 | 81% | 0.806 | S | S | * | * | | | trans | -129.8 | 101.8 | 165.4 | -80.8 | -83.7 | 0 | 0 | 0 | 110.9 | | |
| 259 | T | 38.8 | Very low | 47.2 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -92.7 | 129.5 | 155.8 | 39.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 260 | L | 47.3 | Very low | 47.3 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -128.5 | 149.4 | 178.5 | -131 | 156.3 | 0 | 0 | 0 | 110 | | |
| 261 | E | 43.9 | Very low | 47.1 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -86.3 | 164.5 | -145.8 | -65.6 | 169.7 | 102.4 | 0 | 0 | 116.8 | | |
| 262 | N | 42.1 | Very low | 47.1 | Very low | 155 Ų | 155 | 148.3 Ų | 148.3 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | | | trans | -26.3 | 137 | 160.1 | -62.7 | -69 | 0 | 0 | 0 | 116.3 | | |
| 263 | L | 50.4 | Low | 47.1 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -121.9 | 144.6 | 151.5 | -91.6 | 168.3 | 0 | 0 | 0 | 110.9 | | |
| 264 | Q | 49 | Very low | 47 | Very low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 152.6 | -158.4 | -64.4 | 152.3 | -62.7 | 0 | 0 | 114.1 | | |
| 265 | Q | 51.3 | Low | 47.1 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 146.7 | 161.8 | -64.8 | 179.3 | -19.7 | 0 | 0 | 111.3 | | |
| 266 | P | 63.6 | Low | 47.1 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 158.2 | 155.5 | 35.5 | -29.8 | 0 | 0 | 0 | 112 | | |
| 267 | P | 50 | Low | 47.4 | Very low | 110 Ų | 110 | 150.5 Ų | 150.5 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | | | trans | -107.4 | 155.3 | -160.2 | 39.7 | -34.8 | 0 | 0 | 0 | 116.6 | | |
| 268 | I | 47.7 | Very low | 47.6 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | trans | 50.1 | 115.8 | 135.2 | -56.7 | 166.9 | 0 | 0 | 0 | 119.3 | | |
| 269 | G | 42.2 | Very low | 48 | Very low | 57 Ų | 57 | 145.3 Ų | 145.3 | 59% | 0.588 | 81% | 0.81 | S | S | * | * | | | | 109.1 | 106.8 | 116.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 270 | Y | 52.9 | Low | 48.9 | Very low | 246 Ų | 246 | 145 Ų | 145 | 97% | 0.965 | 81% | 0.81 | S | S | * | * | | | trans | -136.9 | 138.1 | 149.5 | -85.2 | -80.7 | 0 | 0 | 0 | 110.5 | | |
| 271 | S | 45.9 | Very low | 49.2 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | | | trans | -95.6 | 146.8 | -175 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 272 | P | 46.6 | Very low | 49.3 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | | | trans | -90.3 | 144 | 178.6 | 35.4 | -33.4 | 0 | 0 | 0 | 112.6 | | |
| 273 | S | 49.9 | Very low | 49.5 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | | | trans | -165.3 | 133.1 | 160.8 | -85.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 274 | N | 42 | Very low | 49.6 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | 62.8 | 107.4 | 149 | -56 | -25.8 | 0 | 0 | 0 | 120.3 | | |
| 275 | L | 48.7 | Very low | 49.5 | Very low | 178 Ų | 178 | 147 Ų | 147 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | | | trans | -148.7 | 120 | 136.6 | -107.9 | 162.8 | 0 | 0 | 0 | 109.2 | | |
| 276 | S | 44.2 | Very low | 49.1 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | -142.5 | 115.1 | -178.3 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 277 | Y | 52.2 | Low | 48.7 | Very low | 229 Ų | 229 | 147 Ų | 147 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | trans | -169.9 | 109.5 | 167.6 | -83.8 | -78.1 | 0 | 0 | 0 | 103 | | |
| 278 | G | 47.4 | Very low | 48.6 | Very low | 74 Ų | 74 | 151.6 Ų | 151.6 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | | 96.5 | 153.7 | 56 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 279 | P | 53.2 | Low | 48.5 | Very low | 125 Ų | 125 | 152.1 Ų | 152.1 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | | | cis | -122.2 | -178.4 | -18.1 | 41.6 | -26.1 | 0 | 0 | 0 | 112.7 | | |
| 280 | P | 56.6 | Low | 48.9 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -87.6 | 156.9 | 179 | 34.7 | -35 | 0 | 0 | 0 | 114.6 | | |
| 281 | F | 53.2 | Low | 48.5 | Very low | 212 Ų | 212 | 153.1 Ų | 153.1 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | | | trans | -88.7 | 136.8 | 176.9 | -141.6 | -96.8 | 0 | 0 | 0 | 110.9 | | |
| 282 | Q | 46.6 | Very low | 48.7 | Very low | 177 Ų | 177 | 151.5 Ų | 151.5 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | | | trans | -140.8 | 158 | 179.8 | -142.3 | -179.1 | 15.2 | 0 | 0 | 111 | | |
| 283 | Q | 45.4 | Very low | 48.5 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | 73.5 | 121.9 | 177.4 | -65.5 | -176.5 | -29.8 | 0 | 0 | 118.1 | | |
| 284 | G | 54 | Low | 48.6 | Very low | 66 Ų | 66 | 154.6 Ų | 154.6 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | | | trans | -164.6 | 84.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 285 | Y | 45.5 | Very low | 48.7 | Very low | 226 Ų | 226 | 150.7 Ų | 150.7 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | | | trans | 61.2 | 110.1 | 159.5 | -69.5 | -86.4 | 0 | 0 | 0 | 121 | | |
| 286 | E | 43.9 | Very low | 48.4 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | | | trans | -68.7 | 136.8 | 148.5 | -56.1 | 171.8 | 149.9 | 0 | 0 | 110.1 | | |
| 287 | T | 55.5 | Low | 48.6 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | | | trans | 172.3 | 116 | 135.6 | 22.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 288 | F | 47.3 | Very low | 48.4 | Very low | 206 Ų | 206 | 146.6 Ų | 146.6 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | | | | -177.3 | 113.1 | 124 | -114.7 | -82.4 | 0 | 0 | 0 | 109.3 | | |
| 289 | Q | 45.3 | Very low | 48.8 | Very low | 180 Ų | 180 | 155.6 Ų | 155.6 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | | | trans | -87.2 | 142.8 | 164.7 | -67.2 | 175.6 | -10.7 | 0 | 0 | 108.7 | | |
| 290 | S | 49.9 | Very low | 48.7 | Very low | 94 Ų | 94 | 153 Ų | 153 | 66% | 0.657 | 82% | 0.818 | S | S | * | * | | | | 151.7 | 148.9 | 117.5 | 59.9 | 0 | 0 | 0 | 0 | 115 | | |
| 291 | Y | 45.4 | Very low | 48.6 | Very low | 231 Ų | 231 | 152.4 Ų | 152.4 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | | | trans | 74.1 | 129.9 | 166.7 | -58.5 | -72.6 | 0 | 0 | 0 | 120.4 | | |
| 292 | G | 50.4 | Low | 48.4 | Very low | 79 Ų | 79 | 148.6 Ų | 148.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | trans | 125.9 | 67.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 293 | T | 42.4 | Very low | 49.2 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -90 | 167.7 | 166.9 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 294 | D | 50.8 | Low | 49.7 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | trans | 98.3 | 109.7 | 159.9 | -49.8 | -7.3 | 0 | 0 | 0 | 117 | | |
| 295 | G | 44 | Very low | 49.7 | Very low | 71 Ų | 71 | 149 Ų | 149 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | 145.6 | 99.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 296 | L | 43.2 | Very low | 50 | Low | 159 Ų | 159 | 145.3 Ų | 145.3 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | 61.5 | 92.8 | 158.8 | -65.4 | 149.4 | 0 | 0 | 0 | 116.4 | | |
| 297 | E | 48.3 | Very low | 50.4 | Low | 170 Ų | 170 | 143.9 Ų | 143.9 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | | 74.5 | 102.5 | 82.3 | -71.5 | -167.1 | 154.5 | 0 | 0 | 115.9 | | |
| 298 | S | 48.1 | Very low | 50.1 | Low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | trans | 45.9 | 94.3 | 146.3 | 65.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 299 | W | 56.7 | Low | 50.2 | Low | 262 Ų | 262 | 144.6 Ų | 144.6 | 99% | 0.992 | 79% | 0.792 | S | S | * | * | | | | -129.3 | 120 | 128.4 | -83.4 | 81 | 0 | 0 | 0 | 108.5 | | |
| 300 | G | 50.3 | Low | 50.1 | Low | 71 Ų | 71 | 143.9 Ų | 143.9 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | -71 | 139.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I302 | G300-I302 PolarHBondContact O-N 3.29Š|
| 301 | S | 53.9 | Low | 49.8 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -63.5 | 113.3 | 172.4 | 50.7 | 0 | 0 | 0 | 0 | 111 | | |
| 302 | I | 49.4 | Very low | 49.5 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 68% | 0.677 | 80% | 0.797 | S | S | * | * | | | trans | -71.1 | 125.3 | 160.9 | -66.1 | 174.7 | 0 | 0 | 0 | 107.2 | G300 E306 | G300-I302 PolarHBondContact O-N 3.29Å; I302-E306 HydrophobicContact CG2-CB 4.43Å; I302-E306 HydrophobicContact CG2-CG 4.41Å; I302-E306 VanDerWaalsContact CG2-OE2 3.31Å; I302-E306 WeakPolarHBondContact CG2-OE2 3.12Å |
| 303 | T | 63.6 | Low | 49 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 61% | 0.613 | 80% | 0.797 | S | S | * | * | | | trans | -79 | 156.3 | 176.9 | 48.9 | 0 | 0 | 0 | 0 | 110.8 | N305 | T303-N305 PolarHBondContact O-N 3.42Š|
| 304 | E | 55.7 | Low | 48.9 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -63.7 | 6.9 | -174.4 | -66 | 178 | 122.7 | 0 | 0 | 115.7 | | |
| 305 | N | 53.9 | Low | 48.4 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | G | 310 helix | trans | -93.7 | 3 | -177.8 | -101.2 | 10.8 | 0 | 0 | 0 | 115.4 | T303 L307 | T303-N305 PolarHBondContact O-N 3.42Å; N305-L307 VanDerWaalsContact C-N 3.31Å |
| 306 | E | 51.8 | Low | 48.3 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -91.1 | 12.6 | 170.6 | -67.5 | -165.5 | 133.5 | 0 | 0 | 113.4 | I302 E308 | I302-E306 HydrophobicContact CG2-CB 4.43Å; I302-E306 HydrophobicContact CG2-CG 4.41Å; I302-E306 VanDerWaalsContact CG2-OE2 3.31Å; I302-E306 WeakPolarHBondContact CG2-OE2 3.12Å; E306-E308 PolarHBondContact O-N 2.93Å |
| 307 | L | 51.6 | Low | 48.1 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -3.6 | -172.5 | -143.5 | 83.4 | 0 | 0 | 0 | 115.8 | N305 | N305-L307 VanDerWaalsContact C-N 3.31Š|
| 308 | E | 50.3 | Low | 47.7 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -1.6 | -169.5 | -67.9 | -163.5 | 143.6 | 0 | 0 | 116.5 | E306 | E306-E308 PolarHBondContact O-N 2.93Š|
| 309 | N | 48.4 | Very low | 47.5 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -106.9 | 16.5 | -173.6 | -94.4 | -37.4 | 0 | 0 | 0 | 116.6 | | |
| 310 | L | 44.2 | Very low | 46.8 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -126.1 | 34.6 | 175.8 | -83.5 | 169.9 | 0 | 0 | 0 | 114.3 | | |
| 311 | H | 44.3 | Very low | 46.2 | Very low | 177 Ų | 177 | 152.4 Ų | 152.4 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | | | trans | -136.1 | 66.3 | 171.8 | -84.9 | -77.2 | 0 | 0 | 0 | 113.3 | | |
| 312 | S | 39.3 | Very low | 45.5 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -162.5 | 154 | 158.2 | -94.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 313 | S | 39.9 | Very low | 45 | Very low | 116 Ų | 116 | 152 Ų | 152 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | | | trans | 69.8 | 81.1 | -179.9 | 73.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 314 | R | 39 | Very low | 43.8 | Very low | 253 Ų | 253 | 158.4 Ų | 158.4 | 96% | 0.955 | 83% | 0.833 | S | S | * | * | | | | -145.2 | 95.4 | 125.2 | -112.3 | 174 | -168.8 | -156.9 | 0.5 | 109.5 | | |
| 315 | S | 41 | Very low | 43 | Very low | 114 Ų | 114 | 154 Ų | 154 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | | | trans | -65.3 | 152.8 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 316 | L | 42.9 | Very low | 42.2 | Very low | 144 Ų | 144 | 152.4 Ų | 152.4 | 75% | 0.754 | 83% | 0.83 | S | S | * | * | | | trans | -62.7 | 174.4 | 156.9 | -99.1 | 71.8 | 0 | 0 | 0 | 111.2 | | |
| 317 | D | 38.8 | Very low | 41.4 | Very low | 141 Ų | 141 | 155.9 Ų | 155.9 | 75% | 0.754 | 84% | 0.838 | S | S | * | * | | | trans | 83.8 | 82.3 | 165.6 | -54.8 | -26.4 | 0 | 0 | 0 | 117.9 | | |
| 318 | S | 39.9 | Very low | 40.9 | Very low | 125 Ų | 125 | 158.7 Ų | 158.7 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | | | trans | -153.5 | 93.5 | 145.4 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 319 | M | 42.1 | Very low | 40.3 | Very low | 163 Ų | 163 | 156.8 Ų | 156.8 | 80% | 0.803 | 84% | 0.835 | S | S | * | * | | | trans | -87.2 | 129.8 | 168.9 | -58.4 | -179.9 | -167.9 | 0 | 0 | 109.5 | | |
| 320 | N | 42.8 | Very low | 40 | Very low | 155 Ų | 155 | 156 Ų | 156 | 83% | 0.829 | 83% | 0.83 | S | S | * | * | | | trans | 163.2 | 162.5 | 130.9 | -86.6 | -38.7 | 0 | 0 | 0 | 112.5 | | |
| 321 | E | 37.6 | Very low | 40 | Very low | 194 Ų | 194 | 151.7 Ų | 151.7 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | S | Bend | trans | 66.8 | 72.2 | 170.2 | -58.7 | -162.9 | 136.9 | 0 | 0 | 118.8 | | |
| 322 | A | 39.7 | Very low | 39.8 | Very low | 101 Ų | 101 | 149.6 Ų | 149.6 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -164.7 | 47.4 | 144 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 323 | V | 38 | Very low | 39.8 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | | | trans | -134.5 | 88.4 | 174.8 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 324 | Y | 39.1 | Very low | 39.5 | Very low | 236 Ų | 236 | 151.3 Ų | 151.3 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | | | trans | -169.3 | 153 | 152.9 | -113.9 | -77.4 | 0 | 0 | 0 | 109.9 | | |
| 325 | A | 38.2 | Very low | 39.6 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | | | trans | 73.4 | 78.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 326 | S | 38.3 | Very low | 39.2 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | | -167 | 86.2 | 121.7 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 327 | Y | 34.5 | Very low | 38.9 | Very low | 220 Ų | 220 | 148 Ų | 148 | 86% | 0.863 | 81% | 0.807 | S | S | * | * | | | trans | -120.7 | 159.7 | 163.2 | -118.4 | -96.2 | 0 | 0 | 0 | 107.5 | | |
| 328 | Y | 40.1 | Very low | 39.1 | Very low | 213 Ų | 213 | 148.1 Ų | 148.1 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | 83.3 | 94.2 | -173.5 | -58 | -76.7 | 0 | 0 | 0 | 116.7 | | |
| 329 | D | 39.1 | Very low | 38.8 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | | | | -157.3 | 107.3 | 108.5 | -109.2 | -4.4 | 0 | 0 | 0 | 107.5 | | |
| 330 | L | 41.7 | Very low | 38.4 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | | 82.3 | 126.1 | 90.4 | -80 | -173.8 | 0 | 0 | 0 | 113.7 | | |
| 331 | G | 44.4 | Very low | 38.2 | Very low | 74 Ų | 74 | 146.9 Ų | 146.9 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | 161 | 51.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 332 | D | 39.6 | Very low | 38.2 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | -56.8 | 138.5 | -177.8 | -61.5 | -74.6 | 0 | 0 | 0 | 113.8 | | |
| 333 | N | 38.5 | Very low | 38.2 | Very low | 140 Ų | 140 | 148.5 Ų | 148.5 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | -158.3 | 70.2 | 151.7 | -101.3 | -58.7 | 0 | 0 | 0 | 110.2 | F335 | N333-F335 PolarHBondContact O-N 3.14Š|
| 334 | V | 34.4 | Very low | 38.3 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | | | trans | -76.3 | 95.8 | 162.6 | 177 | 0 | 0 | 0 | 0 | 107.7 | | |
| 335 | F | 40.4 | Very low | 38.3 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -93.7 | 110.9 | 168 | -104.7 | -85.5 | 0 | 0 | 0 | 110.9 | N333 C337 | N333-F335 PolarHBondContact O-N 3.14Å; F335-C337 PolarHBondContact O-N 3.24Å |
| 336 | L | 33.3 | Very low | 38.4 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | | | trans | -60.7 | 121.1 | 165.8 | -69 | 152.9 | 0 | 0 | 0 | 109.7 | | |
| 337 | C | 37.5 | Very low | 38.5 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | -137.1 | 92.2 | 161.8 | -84.8 | 0 | 0 | 0 | 0 | 110.9 | F335 | F335-C337 PolarHBondContact O-N 3.24Š|
| 338 | N | 41 | Very low | 38.8 | Very low | 145 Ų | 145 | 146 Ų | 146 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | | | trans | 36 | 94.7 | 146.2 | -61.5 | -5.2 | 0 | 0 | 0 | 118.3 | A340 | N338-A340 HydrophobicContact CB-CB 4.34Å; N338-A340 PolarHBondContact O-N 3.29Å |
| 339 | T | 34.2 | Very low | 39 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 95% | 0.945 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -67.3 | 77.1 | 149.5 | 49.6 | 0 | 0 | 0 | 0 | 110 | | |
| 340 | A | 34.8 | Very low | 39.3 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 65% | 0.653 | 80% | 0.802 | S | S | * | * | | | trans | -151.4 | 35.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | N338 | N338-A340 HydrophobicContact CB-CB 4.34Å; N338-A340 PolarHBondContact O-N 3.29Å |
| 341 | E | 38.3 | Very low | 39.4 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -160.1 | 38.1 | 176.5 | -121.3 | 168.9 | -143.5 | 0 | 0 | 113 | | |
| 342 | V | 37.8 | Very low | 39.5 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -128.5 | 32.7 | 178.1 | -160.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 343 | E | 39.2 | Very low | 39.6 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -120.1 | -3.6 | 170.7 | -68.6 | -169.2 | 137.9 | 0 | 0 | 113.4 | | |
| 344 | E | 39.1 | Very low | 40 | Very low | 159 Ų | 159 | 147 Ų | 147 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -115.2 | 45.9 | -170.6 | -153.5 | -162 | 151.3 | 0 | 0 | 114.4 | | |
| 345 | K | 40 | Very low | 40.8 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -158.3 | 7.7 | 163.1 | -108.8 | 129.2 | -155.7 | 156.1 | 0 | 117.5 | | |
| 346 | T | 40.3 | Very low | 41.5 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -110.2 | 33.6 | 178.3 | -31.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 347 | A | 40.2 | Very low | 41.7 | Very low | 82 Ų | 82 | 140.9 Ų | 140.9 | 68% | 0.678 | 82% | 0.823 | S | S | * | * | | | trans | -119.6 | 14 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 348 | H | 41.9 | Very low | 42.4 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 83% | 0.833 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -121.8 | 12.7 | -168.5 | -116.3 | -64 | 0 | 0 | 0 | 116.3 | | |
| 349 | I | 44 | Very low | 42.6 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 90% | 0.903 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -117 | -1.6 | 176.7 | -64.2 | 179.7 | 0 | 0 | 0 | 112.2 | | |
| 350 | Q | 44.6 | Very low | 43.3 | Very low | 194 Ų | 194 | 147 Ų | 147 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -125.4 | 45.7 | -174.4 | -160.5 | 161 | -13.4 | 0 | 0 | 112.8 | | |
| 351 | A | 43.6 | Very low | 43.9 | Very low | 94 Ų | 94 | 151 Ų | 151 | 78% | 0.777 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -146.3 | 22.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 352 | A | 46.1 | Very low | 44.6 | Very low | 104 Ų | 104 | 151 Ų | 151 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -139.2 | 20.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 353 | A | 43.3 | Very low | 44.8 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | | | trans | -124.3 | 13 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 354 | E | 46.3 | Very low | 45.2 | Very low | 204 Ų | 204 | 146.6 Ų | 146.6 | 95% | 0.953 | 83% | 0.825 | S | S | * | * | | | trans | -113.8 | 55.7 | 178.5 | -65.8 | -172.8 | 168.5 | 0 | 0 | 111.1 | | |
| 355 | A | 51.1 | Low | 45.1 | Very low | 82 Ų | 82 | 145.6 Ų | 145.6 | 68% | 0.678 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -143.4 | 146 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 356 | D | 54.9 | Low | 45.5 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | S | Bend | trans | 61.8 | 74.6 | -179 | -56.5 | -25 | 0 | 0 | 0 | 115.1 | | |
| 357 | G | 38.6 | Very low | 45.3 | Very low | 77 Ų | 77 | 146.7 Ų | 146.7 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | | | trans | -70.4 | 147.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 358 | F | 50.6 | Low | 45.4 | Very low | 213 Ų | 213 | 148.4 Ų | 148.4 | 93% | 0.934 | 84% | 0.836 | S | S | * | * | | | trans | -135.7 | 142.4 | 158.9 | -126.5 | -94.4 | 0 | 0 | 0 | 110.1 | | |
| 359 | Q | 45.4 | Very low | 45.4 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | | | trans | -86.6 | 167.2 | -170.6 | -64.2 | 179.5 | -15.6 | 0 | 0 | 112.9 | | |
| 360 | H | 48.6 | Very low | 45.6 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 76% | 0.759 | 84% | 0.838 | S | S | * | * | | | trans | 67.7 | 102.2 | 158.3 | -87.3 | -77.8 | 0 | 0 | 0 | 118.1 | | |
| 361 | L | 47.8 | Very low | 45.5 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | | | | -175.8 | 142 | 91.4 | -90.2 | 163.8 | 0 | 0 | 0 | 110.4 | | |
| 362 | Q | 53.1 | Low | 45.4 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 139.8 | -179.5 | -65.6 | -129.1 | -43.7 | 0 | 0 | 111.7 | | |
| 363 | P | 43 | Very low | 45.2 | Very low | 124 Ų | 124 | 151 Ų | 151 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 117 | 165.1 | 31.8 | -29.2 | 0 | 0 | 0 | 109.9 | T365 | P363-T365 PolarHBondContact O-N 3.47Š|
| 364 | S | 46.8 | Very low | 45.5 | Very low | 113 Ų | 113 | 155 Ų | 155 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 119.1 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 112 | | |
| 365 | T | 37.7 | Very low | 45.4 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 122.6 | 165 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | P363 | P363-T365 PolarHBondContact O-N 3.47Š|
| 366 | S | 47.6 | Very low | 45 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | | | trans | -121.6 | 103.7 | 166.9 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 367 | W | 35.6 | Very low | 44.8 | Very low | 248 Ų | 248 | 149.1 Ų | 149.1 | 94% | 0.939 | 83% | 0.83 | S | S | * | * | | | trans | -87 | 123.9 | 158.2 | -84.4 | 39.2 | 0 | 0 | 0 | 108.1 | | |
| 368 | S | 43 | Very low | 45 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -158.6 | 117.5 | 164.4 | -83 | 0 | 0 | 0 | 0 | 112.6 | | |
| 369 | K | 41.2 | Very low | 44.6 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | | | trans | -12.9 | 135 | 157.9 | -62.5 | 170.3 | 170.7 | -177 | 0 | 117.2 | | |
| 370 | M | 48.9 | Very low | 44.5 | Very low | 194 Ų | 194 | 148.9 Ų | 148.9 | 96% | 0.956 | 82% | 0.817 | S | S | * | * | | | trans | -137.7 | 122.9 | 132.1 | -75.6 | -164.6 | 172 | 0 | 0 | 109.2 | | |
| 371 | D | 42.4 | Very low | 44.4 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | | | trans | -106 | 161.2 | 170.5 | -93.3 | -53.4 | 0 | 0 | 0 | 109.7 | | |
| 372 | E | 41.5 | Very low | 44.2 | Very low | 186 Ų | 186 | 144.7 Ų | 144.7 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | trans | 74.1 | 132.3 | 155.6 | -79.3 | -168.9 | 130.6 | 0 | 0 | 123.2 | | |
| 373 | A | 41.2 | Very low | 43.7 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | trans | 71.9 | 108.3 | 141.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 374 | L | 49.3 | Very low | 43.8 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | | | | -150.6 | 131.3 | 122.2 | -106.8 | 167.9 | 0 | 0 | 0 | 110.9 | | |
| 375 | V | 44.9 | Very low | 43.7 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | | | trans | -106.8 | 144.1 | -175.3 | 168.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 376 | G | 42.1 | Very low | 44.1 | Very low | 76 Ų | 76 | 143.9 Ų | 143.9 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | trans | -175.7 | 108 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 377 | P | 50.8 | Low | 44 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -114.9 | -175.2 | -175.8 | 41.2 | -33.5 | 0 | 0 | 0 | 115 | | |
| 378 | S | 42.8 | Very low | 45 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | 84.5 | 145.5 | 164.1 | -123.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 379 | L | 42.8 | Very low | 44.9 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | | | cis | -145.8 | 140.6 | 17.9 | -82.1 | 163.2 | 0 | 0 | 0 | 114.4 | | |
| 380 | R | 43.4 | Very low | 45.3 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | | | | 27.7 | 134.2 | 129.8 | -55.5 | -177.5 | -179.9 | -137.6 | -0.5 | 124.2 | | |
| 381 | N | 45.8 | Very low | 44.8 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | | 177.2 | 123.1 | 107.6 | -85.5 | -17.1 | 0 | 0 | 0 | 108.8 | | |
| 382 | C | 43.5 | Very low | 45.2 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | | | | 68.7 | 132 | 80.4 | -69 | 0 | 0 | 0 | 0 | 113.7 | | |
| 383 | D | 42.7 | Very low | 45.2 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | cis | -163.6 | 171.8 | -1.9 | -91.2 | -34.8 | 0 | 0 | 0 | 110.9 | | |
| 384 | L | 46 | Very low | 45.2 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | 130 | 103.8 | 137 | -64 | 178.4 | 0 | 0 | 0 | 118.6 | | |
| 385 | L | 44.6 | Very low | 45.1 | Very low | 156 Ų | 156 | 139 Ų | 139 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | | | trans | 58.9 | 146.8 | 130.8 | -55.4 | 173.3 | 0 | 0 | 0 | 121.5 | | |
| 386 | S | 45.6 | Very low | 45.1 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | cis | -173.7 | 145.2 | -23.5 | -165.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 387 | P | 46.7 | Very low | 45.6 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -102.6 | 166.5 | 176.3 | 38 | -32.5 | 0 | 0 | 0 | 113.6 | | |
| 388 | M | 56.1 | Low | 45.3 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 96% | 0.961 | 78% | 0.782 | S | S | * | * | | | trans | -135.7 | 137.9 | 163.8 | -86.8 | -164.3 | 154.5 | 0 | 0 | 111.8 | | |
| 389 | A | 40.2 | Very low | 45.3 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -116.2 | 166.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 390 | N | 49.7 | Very low | 45.6 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -161.9 | 132 | 153.5 | -96.4 | -28.2 | 0 | 0 | 0 | 111.1 | | |
| 391 | E | 39.1 | Very low | 45.8 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -88.9 | 151.4 | 169.4 | -57.6 | 167.6 | 111.2 | 0 | 0 | 110.5 | | |
| 392 | I | 51.5 | Low | 46.1 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | | | trans | -140.9 | 142.4 | 151.2 | -62.5 | -172 | 0 | 0 | 0 | 108.8 | | |
| 393 | I | 40 | Very low | 46.3 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 70% | 0.697 | 80% | 0.798 | S | S | * | * | | | trans | -111.2 | 172.5 | -170.5 | -53.8 | 171.2 | 0 | 0 | 0 | 110.1 | | |
| 394 | C | 41.7 | Very low | 46.8 | Very low | 114 Ų | 114 | 138 Ų | 138 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | 90.1 | 145.9 | 166.9 | -49.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 395 | E | 47.6 | Very low | 46.8 | Very low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | cis | -142 | 168.4 | 17.5 | -70.3 | 179.4 | 152 | 0 | 0 | 113.5 | | |
| 396 | I | 45.3 | Very low | 46.8 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | trans | -115.9 | 145.4 | 168.6 | -63 | 166.7 | 0 | 0 | 0 | 108.9 | | |
| 397 | P | 50.9 | Low | 46.7 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -126.3 | 167.9 | 141.8 | 32.9 | -20.1 | 0 | 0 | 0 | 113.7 | | |
| 398 | S | 44.5 | Very low | 46.4 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -128.4 | -167.1 | -152.9 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 399 | T | 44.6 | Very low | 45.8 | Very low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | 86.1 | 146.7 | 170.7 | 78.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 400 | S | 47.9 | Very low | 46 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | cis | -160 | 155.7 | 7.8 | 38.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 401 | Q | 48.4 | Very low | 46.1 | Very low | 197 Ų | 197 | 141 Ų | 141 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | 58.2 | 148.8 | 149.5 | -64.9 | 163.6 | 5.3 | 0 | 0 | 119.5 | | |
| 402 | G | 51 | Low | 46.2 | Very low | 75 Ų | 75 | 142 Ų | 142 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | cis | 161.2 | 164.4 | 0.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 403 | N | 47.1 | Very low | 45.5 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | cis | -161.6 | 161.8 | -4.4 | -153.3 | 42.1 | 0 | 0 | 0 | 109.2 | | |
| 404 | P | 55 | Low | 45.6 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | trans | -112.8 | 164.6 | -163.8 | 41.5 | -34.9 | 0 | 0 | 0 | 117.2 | | |
| 405 | Y | 45.6 | Very low | 45.6 | Very low | 231 Ų | 231 | 141.2 Ų | 141.2 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | | | trans | -174.7 | 158.3 | 158.2 | -85.6 | -74.9 | 0 | 0 | 0 | 108.7 | | |
| 406 | A | 43.6 | Very low | 45.4 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 58% | 0.579 | 78% | 0.783 | S | S | * | * | | | cis | -172.9 | 148.8 | -30.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 407 | Y | 44.8 | Very low | 45.2 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | 56.9 | 126.9 | 144.2 | -75.1 | -56.3 | 0 | 0 | 0 | 125.9 | | |
| 408 | M | 39.1 | Very low | 45.2 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | trans | 67.3 | 152.4 | 134.3 | -56.7 | -125.4 | -175.2 | 0 | 0 | 118.8 | | |
| 409 | T | 44.3 | Very low | 45.4 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | cis | -159.6 | 161.2 | 2.1 | 1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 410 | T | 43.5 | Very low | 45.7 | Very low | 130 Ų | 130 | 149.3 Ų | 149.3 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | | | trans | -85.5 | 162.5 | 168.9 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 411 | P | 53 | Low | 45.8 | Very low | 129 Ų | 129 | 150.8 Ų | 150.8 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -127.1 | 157.9 | 150.5 | 35.5 | -23.5 | 0 | 0 | 0 | 114.5 | | |
| 412 | K | 41.8 | Very low | 46 | Very low | 197 Ų | 197 | 148 Ų | 148 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | | | trans | -98.9 | 158.3 | -178.1 | -70.3 | 174.7 | 171.4 | 176.2 | 0 | 112.9 | | |
| 413 | S | 36.3 | Very low | 45.8 | Very low | 108 Ų | 108 | 152.7 Ų | 152.7 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | 1.5 | 142 | 149.3 | 62.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 414 | V | 42 | Very low | 45.9 | Very low | 132 Ų | 132 | 153.2 Ų | 153.2 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | trans | -171.1 | 111.9 | 136.4 | 141.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 415 | Q | 41.5 | Very low | 45.7 | Very low | 164 Ų | 164 | 157.3 Ų | 157.3 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | | 58.9 | 117.8 | 91.8 | -91.3 | -160.7 | -7 | 0 | 0 | 117.9 | | |
| 416 | M | 42.7 | Very low | 45.9 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | trans | 172.3 | 113.2 | 137.6 | -85.8 | -113.6 | 163.2 | 0 | 0 | 109.1 | | |
| 417 | Y | 42.5 | Very low | 45.8 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | | | | 83.7 | 105.4 | 74.8 | -106 | -74.3 | 0 | 0 | 0 | 117.1 | | |
| 418 | K | 50.3 | Low | 45.6 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | -178.2 | 124.5 | 135.8 | -100.3 | 176 | 176.5 | -177 | 0 | 108.3 | | |
| 419 | Q | 49.4 | Very low | 45.6 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | | 58.6 | 134.5 | 72.5 | -87.7 | -174.6 | -18.7 | 0 | 0 | 112.9 | | |
| 420 | R | 49.8 | Very low | 45.5 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | | | cis | -167.9 | 148.9 | 3.9 | -149.5 | -174 | 168.8 | 150.7 | -0.1 | 108.3 | E422 | R420-E422 IonicContact NE-OE1 2.76Å; R420-E422 IonicContact NH2-OE1 3.71Å |
| 421 | D | 50.8 | Low | 45.8 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | | | | 130.3 | 152.2 | 115 | -80 | -40.9 | 0 | 0 | 0 | 106.5 | | |
| 422 | E | 51.8 | Low | 45.3 | Very low | 139 Ų | 139 | 152.4 Ų | 152.4 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | | | cis | 176.9 | 168 | -27.8 | -111.6 | 179 | -150 | 0 | 0 | 105.6 | R420 | R420-E422 IonicContact NE-OE1 2.76Å; R420-E422 IonicContact NH2-OE1 3.71Å |
| 423 | M | 47.8 | Very low | 45.5 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | | | trans | 72.3 | 111.1 | 176.5 | -55.6 | -177.4 | 178.6 | 0 | 0 | 117 | | |
| 424 | E | 48.3 | Very low | 46.1 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | cis | 88.4 | 146.6 | 34.1 | -64.6 | -155.7 | 146.9 | 0 | 0 | 117.3 | | |
| 425 | M | 51.1 | Low | 46.6 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | trans | 75.5 | 137.3 | 172.6 | -48.1 | -167.1 | -168.4 | 0 | 0 | 116.8 | | |
| 426 | G | 50.1 | Low | 46.7 | Very low | 70 Ų | 70 | 150.9 Ų | 150.9 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | | | cis | 178 | 163 | -3.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 427 | D | 40.8 | Very low | 46.8 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | | | trans | -65.5 | 159.6 | -176.6 | -55 | -77.3 | 0 | 0 | 0 | 114.5 | | |
| 428 | S | 40.3 | Very low | 47.7 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | | 160 | 145.9 | 109.3 | 55 | 0 | 0 | 0 | 0 | 116.5 | | |
| 429 | C | 39.2 | Very low | 48.4 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | | | trans | 57.8 | 106.8 | 143.3 | -62.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 430 | T | 42.5 | Very low | 48.7 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | | 17.3 | 132.3 | 122.6 | 56.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 431 | F | 50.9 | Low | 48.7 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | | | trans | -146.3 | 112.2 | 146.9 | -166 | -108.5 | 0 | 0 | 0 | 110.7 | D433 | F431-D433 HydrophobicContact CE1-CB 3.86Å; F431-D433 HydrophobicContact CZ-CB 4.11Å |
| 432 | E | 42.2 | Very low | 48.5 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | trans | -71.7 | 137.5 | 154.5 | -62.5 | 174.7 | 118.6 | 0 | 0 | 107.5 | | |
| 433 | D | 46.3 | Very low | 48.4 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 63% | 0.626 | 82% | 0.821 | S | S | * | * | | | | 177.9 | 143.9 | 127.8 | -102.2 | -23.9 | 0 | 0 | 0 | 116.5 | F431 | F431-D433 HydrophobicContact CE1-CB 3.86Å; F431-D433 HydrophobicContact CZ-CB 4.11Å |
| 434 | Y | 47.1 | Very low | 48.4 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 73% | 0.729 | 82% | 0.819 | S | S | * | * | | | trans | 85.5 | 144.9 | 143.5 | -87.6 | -125.7 | 0 | 0 | 0 | 124.1 | | |
| 435 | F | 53.6 | Low | 48.4 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | | | trans | 77.1 | 113 | 177.2 | -53.9 | -72 | 0 | 0 | 0 | 116.5 | | |
| 436 | G | 43 | Very low | 48.2 | Very low | 66 Ų | 66 | 142.8 Ų | 142.8 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | | | cis | 126.9 | 110.8 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 437 | S | 46.1 | Very low | 48.1 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | 50 | 120 | 162.2 | 58.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 438 | E | 60.8 | Low | 48.7 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | | -176.4 | 130.1 | 107.7 | -100.6 | -177.3 | -170.6 | 0 | 0 | 113.5 | | |
| 439 | G | 63.6 | Low | 49.4 | Very low | 76 Ų | 76 | 150.3 Ų | 150.3 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | | | trans | 82.8 | 83.1 | 139.2 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 440 | L | 56.9 | Low | 50.3 | Low | 249 Ų | 249 | 153.9 Ų | 153.9 | 100% | 1.304 | 83% | 0.831 | S | S | * | * | | | | -168.4 | 0 | 125.6 | -109.5 | 165.3 | 0 | 0 | 0 | 112.3 | | |