| 1 | M | 64 | Low | 86.6 | Confident | 244 Ų | 244 | 86.9 Ų | 86.9 | 100% | 1.202 | 49% | 0.488 | S | S | * | . | | | | 0 | 148.7 | 0 | -59.6 | 173.4 | 85.6 | 0 | 0 | 108.5 | | |
| 2 | A | 68.3 | Low | 87.4 | Confident | 94 Ų | 94 | 79.8 Ų | 79.8 | 78% | 0.777 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 145.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 3 | P | 74.9 | Confident | 88 | Confident | 118 Ų | 118 | 78.5 Ų | 78.5 | 77% | 0.766 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -68 | 135.6 | 179.4 | 27.6 | -34.3 | 0 | 0 | 0 | 111.5 | Q5 | P3-Q5 PolarHBondContact O-N 3.09Š|
| 4 | A | 79.1 | Confident | 88.5 | Confident | 100 Ų | 100 | 77.4 Ų | 77.4 | 83% | 0.826 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 120.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q6 | A4-Q6 PolarHBondContact O-N 3.24Å; A4-Q6 VanDerWaalsContact O-N 3.09Å |
| 5 | Q | 87.9 | Confident | 89 | Confident | 142 Ų | 142 | 75.4 Ų | 75.4 | 66% | 0.664 | 44% | 0.438 | S | S | * | . | | | trans | -76.3 | 101.4 | -173.7 | -66.5 | -178.9 | -24.6 | 0 | 0 | 111.6 | P3 | P3-Q5 PolarHBondContact O-N 3.09Š|
| 6 | Q | 93.6 | Very high | 89.4 | Confident | 130 Ų | 130 | 79.1 Ų | 79.1 | 61% | 0.607 | 44% | 0.442 | S | S | * | . | | | trans | -57.4 | 145.6 | 174.6 | -71.4 | -179.2 | -22.8 | 0 | 0 | 112.1 | A4 V23 | A4-Q6 PolarHBondContact O-N 3.24Å; A4-Q6 VanDerWaalsContact O-N 3.09Å; Q6-V23 HydrophobicContact CB-CB 4.33Å; Q6-V23 HydrophobicContact CB-CG2 3.92Å; Q6-V23 PolarHBondContact O-N 3.18Å |
| 7 | S | 95.9 | Very high | 89.8 | Confident | 12 Ų | 12 | 78.6 Ų | 78.6 | 8% | 0.084 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 158.5 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | E46 G47 G49 C52 | S7-E46 WeakPolarHBondContact O-CA 3.3Å; S7-G47 PolarHBondContact N-O 3.21Å; S7-G47 PolarHBondContact O-N 3.3Å; S7-G49 WeakPolarHBondContact OG-CA 3.42Å; S7-C52 VanDerWaalsContact C-SG 3.5Å; S7-C52 PolarHBondContact O-SG 2.95Å |
| 8 | R | 96.3 | Very high | 90.2 | Very high | 25 Ų | 25 | 75.3 Ų | 75.3 | 9% | 0.094 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 152 | 177.8 | 58.5 | -173.9 | 172 | -157.2 | -2.7 | 112.6 | L10 H21 V23 A43 G45 E46 | R8-L10 HydrophobicContact CG-CD2 4.07Å; R8-H21 WeakPolarHBondContact CG-O 3.38Å; R8-H21 PolarHBondContact N-O 3.26Å; R8-H21 PolarHBondContact O-N 3.09Å; R8-V23 HydrophobicContact CB-CG2 4.45Å; R8-V23 HydrophobicContact CG-CG2 4.14Å; R8-A43 HydrophobicContact CB-CB 4.27Å; R8-G45 CarbonylContact C-O 3.53Å; R8-G45 VanDerWaalsContact CA-O 3.31Å; R8-G45 WeakPolarHBondContact CA-O 3.33Å; R8-E46 HydrophobicContact CB-CB 4.32Å; R8-E46 HydrophobicContact CB-CG 3.66Å; R8-E46 WeakPolarHBondContact CB-OE1 3.09Å; R8-E46 WeakPolarHBondContact CD-OE1 3.28Å; R8-E46 IonicContact NH1-OE1 2.7Å; R8-E46 PolarHBondContact NH1-OE1 3.03Å |
| 9 | V | 97.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.006 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.4 | -179.7 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | F18 Q19 Y44 G45 C52 H55 V56 L59 | V9-F18 HydrophobicContact CG1-CB 4.23Å; V9-F18 HydrophobicContact CG1-CD1 4.31Å; V9-Q19 WeakPolarHBondContact CA-O 3.23Å; V9-Y44 PolarHBondContact O-N 2.96Å; V9-G45 PolarHBondContact N-O 3.24Å; V9-C52 HydrophobicContact CG2-CB 3.9Å; V9-H55 HydrophobicContact CG2-CB 4.42Å; V9-V56 HydrophobicContact CB-CG2 4.25Å; V9-V56 HydrophobicContact CG1-CG2 3.54Å; V9-V56 HydrophobicContact CG2-CG2 3.8Å; V9-L59 HydrophobicContact CG1-CD1 4.05Å |
| 10 | L | 97.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 150.1 | -179.1 | -51.8 | -176.1 | 0 | 0 | 0 | 109.7 | R8 F18 Q19 H21 W29 F40 | R8-L10 HydrophobicContact CG-CD2 4.07Å; L10-F18 CarbonylContact O-C 3.53Å; L10-F18 VanDerWaalsContact O-CA 3.28Å; L10-F18 WeakPolarHBondContact O-CA 3.43Å; L10-Q19 PolarHBondContact N-O 2.84Å; L10-Q19 PolarHBondContact O-N 3.44Å; L10-H21 HydrophobicContact CD1-CB 3.73Å; L10-H21 HydrophobicContact CG-CB 4.15Å; L10-W29 HydrophobicContact CB-CH2 3.96Å; L10-W29 HydrophobicContact CB-CZ2 3.94Å; L10-W29 HydrophobicContact CB-CZ3 4.33Å; L10-W29 HydrophobicContact CD1-CB 4.5Å; L10-W29 HydrophobicContact CD1-CD2 3.57Å; L10-W29 HydrophobicContact CD1-CE3 3.97Å; L10-W29 HydrophobicContact CD1-CG 3.81Å; L10-W29 HydrophobicContact CD1-CZ2 4.24Å; L10-W29 HydrophobicContact CD1-CZ3 4.46Å; L10-F40 HydrophobicContact CD1-CD2 4.45Å; L10-F40 HydrophobicContact CD2-CD2 3.47Å; L10-F40 VanDerWaalsContact CD2-CD2 3.47Å; L10-F40 HydrophobicContact CD2-CE2 3.52Å |
| 11 | R | 97.4 | Very high | 91.1 | Very high | 86 Ų | 86 | 68.7 Ų | 68.7 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.7 | 171.5 | -162.5 | -175.4 | -171.5 | -165.7 | 4.9 | 109.5 | R16 F18 Y44 | R11-R16 WeakPolarHBondContact CG-O 3.49Å; R11-R16 PolarHBondContact NE-O 3.36Å; R11-F18 HydrophobicContact CB-CD1 3.75Å; R11-F18 HydrophobicContact CB-CE1 3.64Å; R11-F18 HydrophobicContact CB-CZ 4.42Å; R11-F18 HydrophobicContact CG-CD1 3.87Å; R11-F18 HydrophobicContact CG-CE1 3.62Å; R11-F18 HydrophobicContact CG-CE2 4.4Å; R11-F18 HydrophobicContact CG-CG 4.38Å; R11-F18 HydrophobicContact CG-CZ 3.92Å; R11-Y44 HydrophobicContact CB-CD2 4.11Å; R11-Y44 HydrophobicContact CB-CE2 3.54Å |
| 12 | C | 96.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | | | trans | -67.1 | 143.3 | 174 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | S14 R16 L17 W29 C31 Q38 | C12-S14 PolarHBondContact SG-N 3.26Å; C12-R16 VanDerWaalsContact O-CA 3.3Å; C12-R16 WeakPolarHBondContact O-CA 3.1Å; C12-L17 PolarHBondContact N-O 3.06Å; C12-W29 HydrophobicContact CB-CH2 4.46Å; C12-C31 VanDerWaalsContact SG-SG 3.61Å; C12-Q38 PolarHBondContact SG-NE2 3.07Å |
| 13 | C | 95.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 59 Ų | 59 | 42% | 0.419 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -69.1 | -46.8 | 170.4 | 60 | 0 | 0 | 0 | 0 | 111.9 | R16 Q38 | C13-R16 VanDerWaalsContact O-CD 3.3Å; C13-R16 WeakPolarHBondContact O-CD 3.48Å; C13-R16 PolarHBondContact O-NE 3.02Å; C13-R16 PolarHBondContact O-NH1 3.43Å; C13-R16 VanDerWaalsContact O-NH1 3.11Å; C13-Q38 VanDerWaalsContact SG-CG 3.55Å; C13-Q38 PolarHBondContact SG-OE1 3.43Å; C13-Q38 VanDerWaalsContact SG-OE1 3.37Å |
| 14 | S | 95.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 58.8 Ų | 58.8 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -81 | -72.6 | -172.4 | -38.6 | 0 | 0 | 0 | 0 | 111.6 | C12 R16 | C12-S14 PolarHBondContact SG-N 3.26Å; S14-R16 PolarHBondContact O-N 3.36Å; S14-R16 VanDerWaalsContact O-N 3.16Å |
| 15 | C | 94.9 | Very high | 95.2 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -78 | 4.4 | -178.1 | 70.8 | 0 | 0 | 0 | 0 | 115 | L17 C34 | C15-L17 PolarHBondContact O-N 3.27Å; C15-C34 HydrophobicContact CB-CB 4.05Å; C15-C34 VanDerWaalsContact SG-SG 3.65Å |
| 16 | R | 95.3 | Very high | 95.2 | Very high | 135 Ų | 135 | 60.8 Ų | 60.8 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | | | trans | 56.1 | -4.9 | 177.6 | -56.3 | -57.9 | -170.8 | -177.3 | 2.5 | 118.2 | R11 C12 C13 S14 Q63 | R11-R16 WeakPolarHBondContact CG-O 3.49Å; R11-R16 PolarHBondContact NE-O 3.36Å; C12-R16 VanDerWaalsContact O-CA 3.3Å; C12-R16 WeakPolarHBondContact O-CA 3.1Å; C13-R16 VanDerWaalsContact O-CD 3.3Å; C13-R16 WeakPolarHBondContact O-CD 3.48Å; C13-R16 PolarHBondContact O-NE 3.02Å; C13-R16 PolarHBondContact O-NH1 3.43Å; C13-R16 VanDerWaalsContact O-NH1 3.11Å; S14-R16 PolarHBondContact O-N 3.36Å; S14-R16 VanDerWaalsContact O-N 3.16Å; R16-Q63 VanDerWaalsContact CB-NE2 3.29Å; R16-Q63 PolarHBondContact O-NE2 3.01Å; R16-Q63 PolarHBondContact O-OE1 3.05Å; R16-Q63 VanDerWaalsContact O-OE1 3.07Å |
| 17 | L | 96.8 | Very high | 95.1 | Very high | 70 Ų | 70 | 59.6 Ų | 59.6 | 37% | 0.366 | 30% | 0.303 | S | S | . | . | | | trans | -65 | 144.4 | -179.8 | -70.3 | 171.7 | 0 | 0 | 0 | 113.3 | C12 C15 A33 | C12-L17 PolarHBondContact N-O 3.06Å; C15-L17 PolarHBondContact O-N 3.27Å; L17-A33 HydrophobicContact CD1-CB 3.79Å |
| 18 | F | 97.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 67.4 Ų | 67.4 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 141.5 | 171.7 | -62.7 | -84.2 | 0 | 0 | 0 | 111.9 | V9 L10 R11 Y44 V56 L59 N60 Q63 | V9-F18 HydrophobicContact CG1-CB 4.23Å; V9-F18 HydrophobicContact CG1-CD1 4.31Å; L10-F18 CarbonylContact O-C 3.53Å; L10-F18 VanDerWaalsContact O-CA 3.28Å; L10-F18 WeakPolarHBondContact O-CA 3.43Å; R11-F18 HydrophobicContact CB-CD1 3.75Å; R11-F18 HydrophobicContact CB-CE1 3.64Å; R11-F18 HydrophobicContact CB-CZ 4.42Å; R11-F18 HydrophobicContact CG-CD1 3.87Å; R11-F18 HydrophobicContact CG-CE1 3.62Å; R11-F18 HydrophobicContact CG-CE2 4.4Å; R11-F18 HydrophobicContact CG-CG 4.38Å; R11-F18 HydrophobicContact CG-CZ 3.92Å; F18-Y44 HydrophobicContact CD1-CD2 4.46Å; F18-Y44 HydrophobicContact CD1-CG 4.28Å; F18-Y44 AromaticContact CE1-CD1 3.65Å; F18-Y44 HydrophobicContact CE1-CD1 3.65Å; F18-Y44 HydrophobicContact CE1-CD2 4.11Å; F18-Y44 AromaticContact CE1-CE1 3.83Å; F18-Y44 HydrophobicContact CE1-CE1 3.83Å; F18-Y44 HydrophobicContact CE1-CE2 4.29Å; F18-Y44 AromaticContact CE1-CG 3.79Å; F18-Y44 HydrophobicContact CE1-CG 3.79Å; F18-Y44 HydrophobicContact CZ-CD1 4.41Å; F18-Y44 HydrophobicContact CZ-CE1 4.37Å; F18-V56 WeakPolarHBondContact O-CG1 3.3Å; F18-L59 HydrophobicContact CB-CB 4.17Å; F18-L59 HydrophobicContact CB-CD1 4.35Å; F18-L59 HydrophobicContact CD1-CB 4.38Å; F18-L59 HydrophobicContact CD1-CD1 3.61Å; F18-L59 HydrophobicContact CD2-CB 3.53Å; F18-L59 HydrophobicContact CD2-CD1 4.26Å; F18-L59 HydrophobicContact CD2-CG 4.5Å; F18-L59 HydrophobicContact CE1-CD1 3.83Å; F18-L59 HydrophobicContact CE2-CB 3.89Å; F18-L59 HydrophobicContact CE2-CD1 4.44Å; F18-L59 HydrophobicContact CG-CB 3.78Å; F18-L59 HydrophobicContact CG-CD1 3.82Å; F18-L59 HydrophobicContact CG-CG 4.48Å; F18-L59 HydrophobicContact CZ-CB 4.47Å; F18-L59 HydrophobicContact CZ-CD1 4.24Å; F18-N60 WeakPolarHBondContact CB-OD1 3.48Å; F18-N60 PolarHBondContact N-OD1 2.86Å; F18-N60 PolarHBondContact O-ND2 3.43Å; F18-Q63 HydrophobicContact CE2-CB 4.48Å |
| 19 | Q | 97.3 | Very high | 95.1 | Very high | 23 Ų | 23 | 67 Ų | 67 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 141 | -174.3 | -75.3 | 163 | 79.9 | 0 | 0 | 111.8 | V9 L10 C31 | V9-Q19 WeakPolarHBondContact CA-O 3.23Å; L10-Q19 PolarHBondContact N-O 2.84Å; L10-Q19 PolarHBondContact O-N 3.44Å; Q19-C31 PolarHBondContact NE2-SG 3.04Å |
| 20 | A | 96.6 | Very high | 95.1 | Very high | 36 Ų | 36 | 70.3 Ų | 70.3 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 117.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | C52 V56 | A20-C52 HydrophobicContact CB-CB 4.05Å; A20-V56 HydrophobicContact CB-CG2 4.16Å |
| 21 | H | 95.5 | Very high | 95.1 | Very high | 29 Ų | 29 | 70.2 Ų | 70.2 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.8 | 176.9 | -170.7 | -80 | 0 | 0 | 0 | 109.5 | R8 L10 | R8-H21 WeakPolarHBondContact CG-O 3.38Å; R8-H21 PolarHBondContact N-O 3.26Å; R8-H21 PolarHBondContact O-N 3.09Å; L10-H21 HydrophobicContact CD1-CB 3.73Å; L10-H21 HydrophobicContact CG-CB 4.15Å |
| 22 | Q | 94.5 | Very high | 95 | Very high | 81 Ų | 81 | 74.8 Ų | 74.8 | 38% | 0.379 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 141.4 | 175.3 | -178.3 | 166.2 | 78.3 | 0 | 0 | 110.6 | K24 | Q22-K24 PolarHBondContact O-N 2.95Å; Q22-K24 VanDerWaalsContact O-N 3.15Å |
| 23 | V | 93.8 | Very high | 95 | Very high | 54 Ų | 54 | 77.8 Ų | 77.8 | 33% | 0.327 | 40% | 0.401 | S | S | . | . | | | trans | -66.4 | 118.8 | 179.3 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | Q6 R8 | Q6-V23 HydrophobicContact CB-CB 4.33Å; Q6-V23 HydrophobicContact CB-CG2 3.92Å; Q6-V23 PolarHBondContact O-N 3.18Å; R8-V23 HydrophobicContact CB-CG2 4.45Å; R8-V23 HydrophobicContact CG-CG2 4.14Å |
| 24 | K | 92.1 | Very high | 95.1 | Very high | 112 Ų | 112 | 77.7 Ų | 77.7 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | | | trans | -117.1 | 154.1 | 175.4 | -67.7 | -173.9 | -179.9 | -179.7 | 0 | 109.3 | Q22 S26 | Q22-K24 PolarHBondContact O-N 2.95Å; Q22-K24 VanDerWaalsContact O-N 3.15Å; K24-S26 PolarHBondContact O-N 3.33Å |
| 25 | K | 90.6 | Very high | 95.1 | Very high | 224 Ų | 224 | 77 Ų | 77 | 97% | 0.974 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -58.4 | -31.6 | 171.9 | -61.4 | -176.9 | -179.8 | -177.6 | 0 | 112.1 | | |
| 26 | S | 89.5 | Confident | 95.2 | Very high | 60 Ų | 60 | 78.6 Ų | 78.6 | 42% | 0.42 | 41% | 0.406 | S | S | . | . | | | trans | -76.6 | 127.6 | 175.4 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | K24 K28 | K24-S26 PolarHBondContact O-N 3.33Å; S26-K28 PolarHBondContact O-N 3.4Å |
| 27 | L | 91.5 | Very high | 95.3 | Very high | 106 Ų | 106 | 80.3 Ų | 80.3 | 56% | 0.555 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -75.6 | -7.7 | 168.5 | -61.1 | -175.9 | 0 | 0 | 0 | 113.3 | S39 F40 | L27-S39 CarbonylContact O-C 3.5Å; L27-F40 HydrophobicContact CB-CB 4.2Å; L27-F40 HydrophobicContact CD2-CB 4.25Å; L27-F40 HydrophobicContact CD2-CD1 4.02Å; L27-F40 HydrophobicContact CD2-CG 4.38Å; L27-F40 WeakPolarHBondContact O-CB 3.44Å; L27-F40 PolarHBondContact O-N 3.31Å |
| 28 | K | 95.3 | Very high | 95.3 | Very high | 176 Ų | 176 | 78 Ų | 78 | 77% | 0.765 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 136.3 | 172.4 | -64.5 | -178.5 | 180 | 179 | 0 | 110.4 | S26 Q38 | S26-K28 PolarHBondContact O-N 3.4Å; K28-Q38 WeakPolarHBondContact CA-O 3.42Å |
| 29 | W | 96.3 | Very high | 95.2 | Very high | 16 Ų | 16 | 80.7 Ų | 80.7 | 6% | 0.061 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 172.3 | 176.6 | 70.6 | -71.5 | 0 | 0 | 0 | 110.7 | L10 C12 C31 Q38 S39 | L10-W29 HydrophobicContact CB-CH2 3.96Å; L10-W29 HydrophobicContact CB-CZ2 3.94Å; L10-W29 HydrophobicContact CB-CZ3 4.33Å; L10-W29 HydrophobicContact CD1-CB 4.5Å; L10-W29 HydrophobicContact CD1-CD2 3.57Å; L10-W29 HydrophobicContact CD1-CE3 3.97Å; L10-W29 HydrophobicContact CD1-CG 3.81Å; L10-W29 HydrophobicContact CD1-CZ2 4.24Å; L10-W29 HydrophobicContact CD1-CZ3 4.46Å; C12-W29 HydrophobicContact CB-CH2 4.46Å; W29-C31 HydrophobicContact CZ3-CB 4.46Å; W29-Q38 VanDerWaalsContact CD1-O 3.27Å; W29-Q38 HydrophobicContact CD2-CB 4.36Å; W29-Q38 HydrophobicContact CG-CB 4.5Å; W29-Q38 HydrophobicContact CZ2-CB 4.09Å; W29-Q38 VanDerWaalsContact CZ2-OE1 3.31Å; W29-Q38 PolarHBondContact N-O 3.37Å; W29-Q38 PolarHBondContact O-N 3.21Å; W29-Q38 VanDerWaalsContact O-O 3.13Å; W29-S39 PolarHBondContact NE1-O 2.97Å |
| 30 | T | 97.1 | Very high | 95 | Very high | 71 Ų | 71 | 82.1 Ų | 82.1 | 44% | 0.436 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.6 | 179.1 | -51.8 | 0 | 0 | 0 | 0 | 109.9 | K32 G35 E36 K37 | T30-K32 PolarHBondContact O-N 3.21Å; T30-G35 WeakPolarHBondContact CG2-O 3.48Å; T30-E36 CarbonylContact C-O 3.59Å; T30-E36 WeakPolarHBondContact CA-O 3.37Å; T30-K37 HydrophobicContact CG2-CG 4.39Å |
| 31 | C | 97.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 86.5 Ų | 86.5 | 1% | 0.007 | 46% | 0.455 | C | S | . | . | | | trans | -67.8 | 123 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | C12 Q19 W29 A33 C34 G35 E36 | C12-C31 VanDerWaalsContact SG-SG 3.61Å; Q19-C31 PolarHBondContact NE2-SG 3.04Å; W29-C31 HydrophobicContact CZ3-CB 4.46Å; C31-A33 VanDerWaalsContact C-N 3.28Å; C31-A33 PolarHBondContact O-N 3.33Å; C31-A33 PolarHBondContact SG-N 3.37Å; C31-A33 VanDerWaalsContact SG-N 3.44Å; C31-C34 PolarHBondContact SG-N 3.28Å; C31-C34 VanDerWaalsContact SG-N 3.4Å; C31-C34 PolarHBondContact SG-SG 3.46Å; C31-G35 VanDerWaalsContact O-CA 3.27Å; C31-G35 WeakPolarHBondContact O-CA 3.48Å; C31-G35 PolarHBondContact O-N 3.21Å; C31-E36 HydrophobicContact CB-CB 4.32Å; C31-E36 PolarHBondContact N-O 3.11Å |
| 32 | K | 95.8 | Very high | 94.7 | Very high | 183 Ų | 183 | 92.6 Ų | 92.6 | 80% | 0.796 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -19.6 | 177.7 | -65.5 | -176 | 176.3 | -178.4 | 0 | 113.9 | T30 | T30-K32 PolarHBondContact O-N 3.21Š|
| 33 | A | 95.9 | Very high | 94.7 | Very high | 65 Ų | 65 | 90.1 Ų | 90.1 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -39.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L17 C31 | L17-A33 HydrophobicContact CD1-CB 3.79Å; C31-A33 VanDerWaalsContact C-N 3.28Å; C31-A33 PolarHBondContact O-N 3.33Å; C31-A33 PolarHBondContact SG-N 3.37Å; C31-A33 VanDerWaalsContact SG-N 3.44Å |
| 34 | C | 97 | Very high | 94.8 | Very high | 59 Ų | 59 | 91.9 Ų | 91.9 | 40% | 0.399 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 9.8 | -176 | 75.5 | 0 | 0 | 0 | 0 | 114.4 | C15 C31 E36 | C15-C34 HydrophobicContact CB-CB 4.05Å; C15-C34 VanDerWaalsContact SG-SG 3.65Å; C31-C34 PolarHBondContact SG-N 3.28Å; C31-C34 VanDerWaalsContact SG-N 3.4Å; C31-C34 PolarHBondContact SG-SG 3.46Å; C34-E36 PolarHBondContact O-N 3.37Å |
| 35 | G | 96.4 | Very high | 95 | Very high | 49 Ų | 49 | 87.7 Ų | 87.7 | 51% | 0.505 | 46% | 0.46 | S | S | . | . | | | trans | 71.9 | -8.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | T30 C31 | T30-G35 WeakPolarHBondContact CG2-O 3.48Å; C31-G35 VanDerWaalsContact O-CA 3.27Å; C31-G35 WeakPolarHBondContact O-CA 3.48Å; C31-G35 PolarHBondContact O-N 3.21Å |
| 36 | E | 97.4 | Very high | 95.2 | Very high | 82 Ų | 82 | 82.5 Ų | 82.5 | 38% | 0.383 | 44% | 0.439 | S | S | . | . | | | trans | -64.2 | 132.4 | -170.3 | -174.3 | 61.1 | -88.7 | 0 | 0 | 113.9 | T30 C31 C34 Q38 | T30-E36 CarbonylContact C-O 3.59Å; T30-E36 WeakPolarHBondContact CA-O 3.37Å; C31-E36 HydrophobicContact CB-CB 4.32Å; C31-E36 PolarHBondContact N-O 3.11Å; C34-E36 PolarHBondContact O-N 3.37Å; E36-Q38 HydrophobicContact CG-CG 4.03Å; E36-Q38 PolarHBondContact O-NE2 3.34Å |
| 37 | K | 96.8 | Very high | 95.5 | Very high | 171 Ų | 171 | 81.2 Ų | 81.2 | 74% | 0.743 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.1 | -178.7 | -66.7 | 172.8 | -175.8 | 167.6 | 0 | 110.2 | T30 | T30-K37 HydrophobicContact CG2-CG 4.39Å |
| 38 | Q | 96.3 | Very high | 95.7 | Very high | 21 Ų | 21 | 79.1 Ų | 79.1 | 10% | 0.098 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 154.2 | -167.5 | -77.7 | 160 | 80.1 | 0 | 0 | 113.1 | C12 C13 K28 W29 E36 | C12-Q38 PolarHBondContact SG-NE2 3.07Å; C13-Q38 VanDerWaalsContact SG-CG 3.55Å; C13-Q38 PolarHBondContact SG-OE1 3.43Å; C13-Q38 VanDerWaalsContact SG-OE1 3.37Å; K28-Q38 WeakPolarHBondContact CA-O 3.42Å; W29-Q38 VanDerWaalsContact CD1-O 3.27Å; W29-Q38 HydrophobicContact CD2-CB 4.36Å; W29-Q38 HydrophobicContact CG-CB 4.5Å; W29-Q38 HydrophobicContact CZ2-CB 4.09Å; W29-Q38 VanDerWaalsContact CZ2-OE1 3.31Å; W29-Q38 PolarHBondContact N-O 3.37Å; W29-Q38 PolarHBondContact O-N 3.21Å; W29-Q38 VanDerWaalsContact O-O 3.13Å; E36-Q38 HydrophobicContact CG-CG 4.03Å; E36-Q38 PolarHBondContact O-NE2 3.34Å |
| 39 | S | 95.6 | Very high | 95.7 | Very high | 76 Ų | 76 | 71.5 Ų | 71.5 | 53% | 0.531 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 153.6 | 160.2 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | L27 W29 V41 | L27-S39 CarbonylContact O-C 3.5Å; W29-S39 PolarHBondContact NE1-O 2.97Å; S39-V41 PolarHBondContact O-N 3.37Å |
| 40 | F | 93.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 72.2 Ų | 72.2 | 23% | 0.232 | 41% | 0.41 | C | S | . | . | | | trans | -73.1 | 117.3 | 164.7 | 171.6 | -96.4 | 0 | 0 | 0 | 108.6 | L10 L27 A43 | L10-F40 HydrophobicContact CD1-CD2 4.45Å; L10-F40 HydrophobicContact CD2-CD2 3.47Å; L10-F40 VanDerWaalsContact CD2-CD2 3.47Å; L10-F40 HydrophobicContact CD2-CE2 3.52Å; L27-F40 HydrophobicContact CB-CB 4.2Å; L27-F40 HydrophobicContact CD2-CB 4.25Å; L27-F40 HydrophobicContact CD2-CD1 4.02Å; L27-F40 HydrophobicContact CD2-CG 4.38Å; L27-F40 WeakPolarHBondContact O-CB 3.44Å; L27-F40 PolarHBondContact O-N 3.31Å; F40-A43 HydrophobicContact CE2-CB 3.98Å; F40-A43 HydrophobicContact CZ-CB 4.08Å |
| 41 | V | 91.3 | Very high | 95.6 | Very high | 128 Ų | 128 | 72.6 Ų | 72.6 | 78% | 0.776 | 41% | 0.409 | S | S | * | . | | | trans | -100.1 | -49.6 | 176 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | S39 | S39-V41 PolarHBondContact O-N 3.37Š|
| 42 | R | 93.8 | Very high | 95.6 | Very high | 157 Ų | 157 | 72.8 Ų | 72.8 | 59% | 0.592 | 41% | 0.41 | S | S | * | . | | | trans | -157.5 | 146.3 | -179.2 | -174.8 | 172.5 | 65.1 | -175.5 | -2.6 | 110.5 | Y44 | R42-Y44 PolarHBondContact NH2-OH 3Š|
| 43 | A | 95.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 71.4 Ų | 71.4 | 23% | 0.231 | 40% | 0.4 | C | S | . | . | | | trans | -87.4 | 136.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.4 | R8 F40 E46 | R8-A43 HydrophobicContact CB-CB 4.27Å; F40-A43 HydrophobicContact CE2-CB 3.98Å; F40-A43 HydrophobicContact CZ-CB 4.08Å; A43-E46 HydrophobicContact CB-CG 3.56Å; A43-E46 WeakPolarHBondContact CB-OE1 3.49Å |
| 44 | Y | 95.7 | Very high | 95.7 | Very high | 91 Ų | 91 | 75.6 Ų | 75.6 | 36% | 0.357 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -89.3 | -13.4 | 173.9 | -74.1 | -99.2 | 0 | 0 | 0 | 112.5 | V9 R11 F18 R42 | V9-Y44 PolarHBondContact O-N 2.96Å; R11-Y44 HydrophobicContact CB-CD2 4.11Å; R11-Y44 HydrophobicContact CB-CE2 3.54Å; F18-Y44 HydrophobicContact CD1-CD2 4.46Å; F18-Y44 HydrophobicContact CD1-CG 4.28Å; F18-Y44 AromaticContact CE1-CD1 3.65Å; F18-Y44 HydrophobicContact CE1-CD1 3.65Å; F18-Y44 HydrophobicContact CE1-CD2 4.11Å; F18-Y44 AromaticContact CE1-CE1 3.83Å; F18-Y44 HydrophobicContact CE1-CE1 3.83Å; F18-Y44 HydrophobicContact CE1-CE2 4.29Å; F18-Y44 AromaticContact CE1-CG 3.79Å; F18-Y44 HydrophobicContact CE1-CG 3.79Å; F18-Y44 HydrophobicContact CZ-CD1 4.41Å; F18-Y44 HydrophobicContact CZ-CE1 4.37Å; R42-Y44 PolarHBondContact NH2-OH 3Å |
| 45 | G | 95.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 75.4 Ų | 75.4 | 26% | 0.258 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 149 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | R8 V9 | R8-G45 CarbonylContact C-O 3.53Å; R8-G45 VanDerWaalsContact CA-O 3.31Å; R8-G45 WeakPolarHBondContact CA-O 3.33Å; V9-G45 PolarHBondContact N-O 3.24Å |
| 46 | E | 95.9 | Very high | 95.8 | Very high | 115 Ų | 115 | 74 Ų | 74 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 150.3 | 177.8 | -52.9 | -157.2 | 134.1 | 0 | 0 | 110 | S7 R8 A43 | S7-E46 WeakPolarHBondContact O-CA 3.3Å; R8-E46 HydrophobicContact CB-CB 4.32Å; R8-E46 HydrophobicContact CB-CG 3.66Å; R8-E46 WeakPolarHBondContact CB-OE1 3.09Å; R8-E46 WeakPolarHBondContact CD-OE1 3.28Å; R8-E46 IonicContact NH1-OE1 2.7Å; R8-E46 PolarHBondContact NH1-OE1 3.03Å; A43-E46 HydrophobicContact CB-CG 3.56Å; A43-E46 WeakPolarHBondContact CB-OE1 3.49Å |
| 47 | G | 95.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 76.5 Ų | 76.5 | 33% | 0.33 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.6 | -146 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | S7 | S7-G47 PolarHBondContact N-O 3.21Å; S7-G47 PolarHBondContact O-N 3.3Å |
| 48 | S | 95.9 | Very high | 95.9 | Very high | 63 Ų | 63 | 74.9 Ų | 74.9 | 44% | 0.441 | 38% | 0.382 | S | S | . | . | | | trans | -64.2 | 148.1 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | A50 D51 C52 | S48-A50 PolarHBondContact O-N 2.85Å; S48-A50 PolarHBondContact OG-N 3.43Å; S48-D51 WeakPolarHBondContact CB-OD2 3.37Å; S48-D51 PolarHBondContact O-N 2.73Å; S48-C52 WeakPolarHBondContact O-CB 3.35Å; S48-C52 PolarHBondContact O-N 2.87Å; S48-C52 PolarHBondContact O-SG 3.07Å |
| 49 | G | 94.9 | Very high | 96 | Very high | 16 Ų | 16 | 75.7 Ų | 75.7 | 17% | 0.165 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.4 | -25.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S7 R53 | S7-G49 WeakPolarHBondContact OG-CA 3.42Å; G49-R53 VanDerWaalsContact O-CG 3.3Å; G49-R53 WeakPolarHBondContact O-CG 3.36Å; G49-R53 VanDerWaalsContact O-CZ 3.27Å; G49-R53 PolarHBondContact O-N 2.84Å; G49-R53 PolarHBondContact O-NE 2.95Å; G49-R53 PolarHBondContact O-NH1 3.19Å |
| 50 | A | 95.7 | Very high | 96 | Very high | 30 Ų | 30 | 74.3 Ų | 74.3 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70 | -46.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S48 R53 R54 | S48-A50 PolarHBondContact O-N 2.85Å; S48-A50 PolarHBondContact OG-N 3.43Å; A50-R53 WeakPolarHBondContact O-CB 3.43Å; A50-R53 PolarHBondContact O-N 3.37Å; A50-R54 PolarHBondContact O-N 3.41Å |
| 51 | D | 96.3 | Very high | 96.2 | Very high | 80 Ų | 80 | 77 Ų | 77 | 43% | 0.428 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -78.2 | -32.4 | -175.2 | -52.9 | -48.1 | 0 | 0 | 0 | 111.5 | S48 R53 R54 H55 | S48-D51 WeakPolarHBondContact CB-OD2 3.37Å; S48-D51 PolarHBondContact O-N 2.73Å; D51-R53 VanDerWaalsContact C-N 3.27Å; D51-R53 PolarHBondContact O-N 3.33Å; D51-R54 PolarHBondContact O-N 2.82Å; D51-R54 IonicContact OD1-CZ 3.38Å; D51-R54 IonicContact OD1-NE 3.22Å; D51-R54 PolarHBondContact OD1-NE 3.48Å; D51-R54 IonicContact OD1-NH2 2.85Å; D51-R54 PolarHBondContact OD1-NH2 3.43Å; D51-H55 VanDerWaalsContact O-CB 3.3Å; D51-H55 WeakPolarHBondContact O-CB 3.38Å; D51-H55 PolarHBondContact O-N 2.95Å |
| 52 | C | 96.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 74.7 Ų | 74.7 | 3% | 0.027 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60 | -35.6 | 168 | -67 | 0 | 0 | 0 | 0 | 112.3 | S7 V9 A20 S48 V56 | S7-C52 VanDerWaalsContact C-SG 3.5Å; S7-C52 PolarHBondContact O-SG 2.95Å; V9-C52 HydrophobicContact CG2-CB 3.9Å; A20-C52 HydrophobicContact CB-CB 4.05Å; S48-C52 WeakPolarHBondContact O-CB 3.35Å; S48-C52 PolarHBondContact O-N 2.87Å; S48-C52 PolarHBondContact O-SG 3.07Å; C52-V56 WeakPolarHBondContact O-CB 3.37Å; C52-V56 WeakPolarHBondContact O-CG2 3.46Å; C52-V56 PolarHBondContact O-N 3.31Å |
| 53 | R | 96.4 | Very high | 96.4 | Very high | 154 Ų | 154 | 69.5 Ų | 69.5 | 58% | 0.581 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.3 | -48.2 | 174.3 | -75 | -178 | -59.2 | -104.2 | 12.6 | 111.5 | G49 A50 D51 H55 V56 Q57 | G49-R53 VanDerWaalsContact O-CG 3.3Å; G49-R53 WeakPolarHBondContact O-CG 3.36Å; G49-R53 VanDerWaalsContact O-CZ 3.27Å; G49-R53 PolarHBondContact O-N 2.84Å; G49-R53 PolarHBondContact O-NE 2.95Å; G49-R53 PolarHBondContact O-NH1 3.19Å; A50-R53 WeakPolarHBondContact O-CB 3.43Å; A50-R53 PolarHBondContact O-N 3.37Å; D51-R53 VanDerWaalsContact C-N 3.27Å; D51-R53 PolarHBondContact O-N 3.33Å; R53-H55 VanDerWaalsContact C-N 3.34Å; R53-H55 PolarHBondContact O-N 2.78Å; R53-V56 PolarHBondContact O-N 3.08Å; R53-Q57 WeakPolarHBondContact O-CG 3.28Å; R53-Q57 PolarHBondContact O-N 3.16Å; R53-Q57 PolarHBondContact O-OE1 3Å |
| 54 | R | 97.8 | Very high | 96.2 | Very high | 154 Ų | 154 | 70 Ų | 70 | 58% | 0.581 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.7 | -43.2 | 176 | -72.9 | -174.7 | -91.4 | -119.2 | 6.1 | 112.3 | A50 D51 Q57 K58 | A50-R54 PolarHBondContact O-N 3.41Å; D51-R54 PolarHBondContact O-N 2.82Å; D51-R54 IonicContact OD1-CZ 3.38Å; D51-R54 IonicContact OD1-NE 3.22Å; D51-R54 PolarHBondContact OD1-NE 3.48Å; D51-R54 IonicContact OD1-NH2 2.85Å; D51-R54 PolarHBondContact OD1-NH2 3.43Å; R54-Q57 PolarHBondContact O-N 3.41Å; R54-K58 PolarHBondContact O-N 2.92Å; R54-K58 VanDerWaalsContact O-N 3.07Å |
| 55 | H | 97.7 | Very high | 96 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 26% | 0.255 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 178.2 | -166.4 | 76.4 | 0 | 0 | 0 | 112.2 | V9 D51 R53 Q57 K58 L59 | V9-H55 HydrophobicContact CG2-CB 4.42Å; D51-H55 VanDerWaalsContact O-CB 3.3Å; D51-H55 WeakPolarHBondContact O-CB 3.38Å; D51-H55 PolarHBondContact O-N 2.95Å; R53-H55 VanDerWaalsContact C-N 3.34Å; R53-H55 PolarHBondContact O-N 2.78Å; H55-Q57 PolarHBondContact O-N 3.03Å; H55-K58 PolarHBondContact O-N 3.42Å; H55-L59 WeakPolarHBondContact NE2-CD1 2.98Å; H55-L59 WeakPolarHBondContact O-CB 3.27Å; H55-L59 WeakPolarHBondContact O-CG 3.14Å; H55-L59 PolarHBondContact O-N 2.93Å |
| 56 | V | 97.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 73.5 Ų | 73.5 | 12% | 0.121 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 173.1 | 162.9 | 0 | 0 | 0 | 0 | 112.3 | V9 F18 A20 C52 R53 L59 N60 | V9-V56 HydrophobicContact CB-CG2 4.25Å; V9-V56 HydrophobicContact CG1-CG2 3.54Å; V9-V56 HydrophobicContact CG2-CG2 3.8Å; F18-V56 WeakPolarHBondContact O-CG1 3.3Å; A20-V56 HydrophobicContact CB-CG2 4.16Å; C52-V56 WeakPolarHBondContact O-CB 3.37Å; C52-V56 WeakPolarHBondContact O-CG2 3.46Å; C52-V56 PolarHBondContact O-N 3.31Å; R53-V56 PolarHBondContact O-N 3.08Å; V56-L59 PolarHBondContact O-N 2.74Å; V56-N60 WeakPolarHBondContact O-CB 3.4Å; V56-N60 PolarHBondContact O-N 3.04Å; V56-N60 PolarHBondContact O-ND2 2.97Å |
| 57 | Q | 97.9 | Very high | 95.2 | Very high | 134 Ų | 134 | 71.4 Ų | 71.4 | 63% | 0.626 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.2 | -49.1 | 175.8 | -71.3 | 168 | -54.9 | 0 | 0 | 110.8 | R53 R54 H55 L59 L61 | R53-Q57 WeakPolarHBondContact O-CG 3.28Å; R53-Q57 PolarHBondContact O-N 3.16Å; R53-Q57 PolarHBondContact O-OE1 3Å; R54-Q57 PolarHBondContact O-N 3.41Å; H55-Q57 PolarHBondContact O-N 3.03Å; Q57-L59 PolarHBondContact O-N 3.3Å; Q57-L61 WeakPolarHBondContact O-CB 3.39Å; Q57-L61 PolarHBondContact O-N 2.88Å |
| 58 | K | 97.7 | Very high | 94.7 | Very high | 137 Ų | 137 | 75.6 Ų | 75.6 | 60% | 0.596 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.3 | -46.4 | 176.6 | -178.3 | 169 | -179.6 | 170.5 | 0 | 112.6 | R54 H55 L61 L62 | R54-K58 PolarHBondContact O-N 2.92Å; R54-K58 VanDerWaalsContact O-N 3.07Å; H55-K58 PolarHBondContact O-N 3.42Å; K58-L61 PolarHBondContact O-N 3.26Å; K58-L62 HydrophobicContact CG-CD1 3.93Å; K58-L62 HydrophobicContact CG-CG 4.42Å; K58-L62 WeakPolarHBondContact O-CB 3.31Å; K58-L62 WeakPolarHBondContact O-CG 3.42Å; K58-L62 PolarHBondContact O-N 3.1Å |
| 59 | L | 97.6 | Very high | 93.9 | Very high | 37 Ų | 37 | 78.4 Ų | 78.4 | 19% | 0.194 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.3 | -41.1 | -178.6 | -72.4 | -178.3 | 0 | 0 | 0 | 112.9 | V9 F18 H55 V56 Q57 Q63 | V9-L59 HydrophobicContact CG1-CD1 4.05Å; F18-L59 HydrophobicContact CB-CB 4.17Å; F18-L59 HydrophobicContact CB-CD1 4.35Å; F18-L59 HydrophobicContact CD1-CB 4.38Å; F18-L59 HydrophobicContact CD1-CD1 3.61Å; F18-L59 HydrophobicContact CD2-CB 3.53Å; F18-L59 HydrophobicContact CD2-CD1 4.26Å; F18-L59 HydrophobicContact CD2-CG 4.5Å; F18-L59 HydrophobicContact CE1-CD1 3.83Å; F18-L59 HydrophobicContact CE2-CB 3.89Å; F18-L59 HydrophobicContact CE2-CD1 4.44Å; F18-L59 HydrophobicContact CG-CB 3.78Å; F18-L59 HydrophobicContact CG-CD1 3.82Å; F18-L59 HydrophobicContact CG-CG 4.48Å; F18-L59 HydrophobicContact CZ-CB 4.47Å; F18-L59 HydrophobicContact CZ-CD1 4.24Å; H55-L59 WeakPolarHBondContact NE2-CD1 2.98Å; H55-L59 WeakPolarHBondContact O-CB 3.27Å; H55-L59 WeakPolarHBondContact O-CG 3.14Å; H55-L59 PolarHBondContact O-N 2.93Å; V56-L59 PolarHBondContact O-N 2.74Å; Q57-L59 PolarHBondContact O-N 3.3Å; L59-Q63 VanDerWaalsContact O-CB 3.28Å; L59-Q63 WeakPolarHBondContact O-CB 3.28Å; L59-Q63 PolarHBondContact O-N 3.15Å |
| 60 | N | 97.2 | Very high | 93.1 | Very high | 47 Ų | 47 | 81 Ų | 81 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.3 | -37 | 177.2 | -74.1 | -27.7 | 0 | 0 | 0 | 111.9 | F18 V56 Q63 G64 | F18-N60 WeakPolarHBondContact CB-OD1 3.48Å; F18-N60 PolarHBondContact N-OD1 2.86Å; F18-N60 PolarHBondContact O-ND2 3.43Å; V56-N60 WeakPolarHBondContact O-CB 3.4Å; V56-N60 PolarHBondContact O-N 3.04Å; V56-N60 PolarHBondContact O-ND2 2.97Å; N60-Q63 PolarHBondContact O-N 3.46Å; N60-G64 PolarHBondContact O-N 2.86Å |
| 61 | L | 96.3 | Very high | 92.2 | Very high | 110 Ų | 110 | 84.9 Ų | 84.9 | 58% | 0.576 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.5 | -50.4 | 174.6 | 178.5 | 62.2 | 0 | 0 | 0 | 111.6 | Q57 K58 Q63 G64 Q65 | Q57-L61 WeakPolarHBondContact O-CB 3.39Å; Q57-L61 PolarHBondContact O-N 2.88Å; K58-L61 PolarHBondContact O-N 3.26Å; L61-Q63 VanDerWaalsContact C-N 3.32Å; L61-Q63 PolarHBondContact O-N 3.41Å; L61-G64 PolarHBondContact O-N 3.02Å; L61-G64 VanDerWaalsContact O-N 3.17Å; L61-Q65 WeakPolarHBondContact O-CG 3.39Å; L61-Q65 PolarHBondContact O-N 2.8Å |
| 62 | L | 95.2 | Very high | 90.9 | Very high | 80 Ų | 80 | 88.5 Ų | 88.5 | 42% | 0.419 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 176.7 | -70.5 | 173.3 | 0 | 0 | 0 | 111.9 | K58 G64 Q65 V66 | K58-L62 HydrophobicContact CG-CD1 3.93Å; K58-L62 HydrophobicContact CG-CG 4.42Å; K58-L62 WeakPolarHBondContact O-CB 3.31Å; K58-L62 WeakPolarHBondContact O-CG 3.42Å; K58-L62 PolarHBondContact O-N 3.1Å; L62-G64 VanDerWaalsContact C-N 3.34Å; L62-Q65 PolarHBondContact O-N 2.91Å; L62-V66 WeakPolarHBondContact O-CG2 3.45Å; L62-V66 PolarHBondContact O-N 2.82Å |
| 63 | Q | 94.5 | Very high | 89.4 | Confident | 47 Ų | 47 | 91.6 Ų | 91.6 | 22% | 0.22 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 176 | -176.7 | 175.8 | -16.8 | 0 | 0 | 112.3 | R16 F18 L59 N60 L61 S67 | R16-Q63 VanDerWaalsContact CB-NE2 3.29Å; R16-Q63 PolarHBondContact O-NE2 3.01Å; R16-Q63 PolarHBondContact O-OE1 3.05Å; R16-Q63 VanDerWaalsContact O-OE1 3.07Å; F18-Q63 HydrophobicContact CE2-CB 4.48Å; L59-Q63 VanDerWaalsContact O-CB 3.28Å; L59-Q63 WeakPolarHBondContact O-CB 3.28Å; L59-Q63 PolarHBondContact O-N 3.15Å; N60-Q63 PolarHBondContact O-N 3.46Å; L61-Q63 VanDerWaalsContact C-N 3.32Å; L61-Q63 PolarHBondContact O-N 3.41Å; Q63-S67 WeakPolarHBondContact O-CB 3.3Å; Q63-S67 PolarHBondContact O-N 3.44Å |
| 64 | G | 91.8 | Very high | 87.9 | Confident | 38 Ų | 38 | 88.9 Ų | 88.9 | 39% | 0.392 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.9 | -52.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N60 L61 L62 V66 S67 E68 | N60-G64 PolarHBondContact O-N 2.86Å; L61-G64 PolarHBondContact O-N 3.02Å; L61-G64 VanDerWaalsContact O-N 3.17Å; L62-G64 VanDerWaalsContact C-N 3.34Å; G64-V66 PolarHBondContact O-N 2.85Å; G64-S67 WeakPolarHBondContact O-CB 3.34Å; G64-S67 PolarHBondContact O-N 3.46Å; G64-S67 VanDerWaalsContact O-N 3.08Å; G64-E68 PolarHBondContact O-N 2.87Å |
| 65 | Q | 92 | Very high | 86 | Confident | 90 Ų | 90 | 85.5 Ų | 85.5 | 42% | 0.421 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56.9 | -46.7 | 178.3 | -69.6 | 170.9 | -12.7 | 0 | 0 | 112.6 | L61 L62 S67 E68 L69 | L61-Q65 WeakPolarHBondContact O-CG 3.39Å; L61-Q65 PolarHBondContact O-N 2.8Å; L62-Q65 PolarHBondContact O-N 2.91Å; Q65-S67 VanDerWaalsContact C-N 3.3Å; Q65-S67 PolarHBondContact O-N 3.4Å; Q65-E68 PolarHBondContact O-N 3.49Å; Q65-L69 WeakPolarHBondContact O-CB 3.29Å; Q65-L69 VanDerWaalsContact O-CG 3.28Å; Q65-L69 WeakPolarHBondContact O-CG 3.38Å; Q65-L69 PolarHBondContact O-N 3.4Å |
| 66 | V | 86.4 | Confident | 84 | Confident | 100 Ų | 100 | 91.5 Ų | 91.5 | 61% | 0.606 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.1 | -36.2 | 177 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | L62 G64 S70 | L62-V66 WeakPolarHBondContact O-CG2 3.45Å; L62-V66 PolarHBondContact O-N 2.82Å; G64-V66 PolarHBondContact O-N 2.85Å; V66-S70 VanDerWaalsContact O-CB 3.23Å; V66-S70 WeakPolarHBondContact O-CB 3.48Å; V66-S70 PolarHBondContact O-N 3.18Å; V66-S70 VanDerWaalsContact O-N 3.07Å |
| 67 | S | 88.4 | Confident | 82 | Confident | 71 Ų | 71 | 93.5 Ų | 93.5 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.5 | -35.7 | 176 | -163.6 | 0 | 0 | 0 | 0 | 112.6 | Q63 G64 Q65 L71 | Q63-S67 WeakPolarHBondContact O-CB 3.3Å; Q63-S67 PolarHBondContact O-N 3.44Å; G64-S67 WeakPolarHBondContact O-CB 3.34Å; G64-S67 PolarHBondContact O-N 3.46Å; G64-S67 VanDerWaalsContact O-N 3.08Å; Q65-S67 VanDerWaalsContact C-N 3.3Å; Q65-S67 PolarHBondContact O-N 3.4Å; S67-L71 WeakPolarHBondContact O-CG 3.42Å; S67-L71 PolarHBondContact O-N 3.39Å |
| 68 | E | 84.6 | Confident | 79.9 | Confident | 120 Ų | 120 | 90.9 Ų | 90.9 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.8 | -47.8 | 177.7 | -173.8 | -179.6 | 169.1 | 0 | 0 | 111.3 | G64 Q65 S70 L71 R72 | G64-E68 PolarHBondContact O-N 2.87Å; Q65-E68 PolarHBondContact O-N 3.49Å; E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 2.85Å; E68-L71 WeakPolarHBondContact O-CB 3.41Å; E68-L71 PolarHBondContact O-N 2.88Å; E68-R72 PolarHBondContact O-N 3.16Å |
| 69 | L | 79.5 | Confident | 77.6 | Confident | 122 Ų | 122 | 88.5 Ų | 88.5 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.8 | -40 | 175.8 | -69 | 170.1 | 0 | 0 | 0 | 111.6 | Q65 L71 R72 S73 | Q65-L69 WeakPolarHBondContact O-CB 3.29Å; Q65-L69 VanDerWaalsContact O-CG 3.28Å; Q65-L69 WeakPolarHBondContact O-CG 3.38Å; Q65-L69 PolarHBondContact O-N 3.4Å; L69-L71 VanDerWaalsContact C-N 3.27Å; L69-L71 PolarHBondContact O-N 2.99Å; L69-R72 PolarHBondContact O-N 3.41Å; L69-S73 PolarHBondContact O-N 2.84Å; L69-S73 PolarHBondContact O-OG 3.44Å |
| 70 | S | 78.1 | Confident | 75.4 | Confident | 72 Ų | 72 | 93.6 Ų | 93.6 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -20.9 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 114.2 | V66 E68 S73 V74 | V66-S70 VanDerWaalsContact O-CB 3.23Å; V66-S70 WeakPolarHBondContact O-CB 3.48Å; V66-S70 PolarHBondContact O-N 3.18Å; V66-S70 VanDerWaalsContact O-N 3.07Å; E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 2.85Å; S70-S73 PolarHBondContact O-OG 2.9Å; S70-V74 WeakPolarHBondContact O-CG2 3.4Å |
| 71 | L | 75.6 | Confident | 73 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -82.2 | -46.9 | 170.6 | -70.6 | 166 | 0 | 0 | 0 | 109.7 | S67 E68 L69 S73 V74 D75 | S67-L71 WeakPolarHBondContact O-CG 3.42Å; S67-L71 PolarHBondContact O-N 3.39Å; E68-L71 WeakPolarHBondContact O-CB 3.41Å; E68-L71 PolarHBondContact O-N 2.88Å; L69-L71 VanDerWaalsContact C-N 3.27Å; L69-L71 PolarHBondContact O-N 2.99Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 3.49Å; L71-V74 WeakPolarHBondContact O-CB 3.48Å; L71-V74 PolarHBondContact O-N 3.5Å; L71-D75 PolarHBondContact O-N 2.91Å |
| 72 | R | 68.8 | Low | 70.8 | Confident | 156 Ų | 156 | 103.6 Ų | 103.6 | 59% | 0.589 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.9 | -26.9 | 179.7 | -65.5 | -49.7 | -166 | -177.3 | 6.6 | 114.5 | E68 L69 D75 R76 | E68-R72 PolarHBondContact O-N 3.16Å; L69-R72 PolarHBondContact O-N 3.41Å; R72-D75 WeakPolarHBondContact CD-OD2 3.48Å; R72-D75 IonicContact CZ-OD2 3.46Å; R72-D75 IonicContact NH1-OD2 3.83Å; R72-D75 PolarHBondContact NH1-OD2 3.35Å; R72-R76 WeakPolarHBondContact O-CB 3.33Å; R72-R76 PolarHBondContact O-N 3.5Å |
| 73 | S | 66.1 | Low | 68.3 | Low | 69 Ų | 69 | 108.4 Ų | 108.4 | 48% | 0.483 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.8 | -32.1 | 171.1 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | L69 S70 L71 A77 | L69-S73 PolarHBondContact O-N 2.84Å; L69-S73 PolarHBondContact O-OG 3.44Å; S70-S73 PolarHBondContact O-OG 2.9Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 3.49Å; S73-A77 PolarHBondContact O-N 3.44Å |
| 74 | V | 64.7 | Low | 65.8 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -76.1 | -45.5 | 177.1 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | S70 L71 R76 A77 A78 | S70-V74 WeakPolarHBondContact O-CG2 3.4Å; L71-V74 WeakPolarHBondContact O-CB 3.48Å; L71-V74 PolarHBondContact O-N 3.5Å; V74-R76 PolarHBondContact O-N 2.97Å; V74-A77 PolarHBondContact O-N 2.95Å; V74-A78 PolarHBondContact O-N 3.45Å |
| 75 | D | 58.8 | Low | 63.2 | Low | 84 Ų | 84 | 112.8 Ų | 112.8 | 45% | 0.449 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -51.7 | -41.1 | 174.2 | -67.8 | -13.4 | 0 | 0 | 0 | 111.7 | L71 R72 | L71-D75 PolarHBondContact O-N 2.91Å; R72-D75 WeakPolarHBondContact CD-OD2 3.48Å; R72-D75 IonicContact CZ-OD2 3.46Å; R72-D75 IonicContact NH1-OD2 3.83Å; R72-D75 PolarHBondContact NH1-OD2 3.35Å |
| 76 | R | 54.3 | Low | 61.7 | Low | 180 Ų | 180 | 114.1 Ų | 114.1 | 68% | 0.679 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.1 | -45.9 | -174.9 | -157.8 | 179.1 | -151.8 | 89.4 | 1.7 | 112.8 | R72 V74 A78 S79 | R72-R76 WeakPolarHBondContact O-CB 3.33Å; R72-R76 PolarHBondContact O-N 3.5Å; V74-R76 PolarHBondContact O-N 2.97Å; R76-A78 PolarHBondContact O-N 3.17Å; R76-S79 WeakPolarHBondContact O-CB 3.47Å; R76-S79 PolarHBondContact O-N 2.93Å |
| 77 | A | 56.3 | Low | 59.2 | Low | 62 Ų | 62 | 119 Ų | 119 | 51% | 0.512 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -62 | -33.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S73 V74 S79 E80 | S73-A77 PolarHBondContact O-N 3.44Å; V74-A77 PolarHBondContact O-N 2.95Å; A77-S79 PolarHBondContact O-N 3.25Å; A77-E80 PolarHBondContact O-N 3.02Å |
| 78 | A | 54.6 | Low | 57.1 | Low | 79 Ų | 79 | 124.6 Ų | 124.6 | 65% | 0.653 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -14.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V74 R76 | V74-A78 PolarHBondContact O-N 3.45Å; R76-A78 PolarHBondContact O-N 3.17Å |
| 79 | S | 49.6 | Very low | 54.6 | Low | 88 Ų | 88 | 123.8 Ų | 123.8 | 62% | 0.615 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -6.8 | -179 | -170.6 | 0 | 0 | 0 | 0 | 113.9 | R76 A77 | R76-S79 WeakPolarHBondContact O-CB 3.47Å; R76-S79 PolarHBondContact O-N 2.93Å; A77-S79 PolarHBondContact O-N 3.25Å |
| 80 | E | 50.7 | Low | 52.8 | Low | 143 Ų | 143 | 126.8 Ų | 126.8 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -99.6 | -10.2 | -172.4 | -68.9 | 174.6 | 167.6 | 0 | 0 | 113.1 | A77 | A77-E80 PolarHBondContact O-N 3.02Š|
| 81 | E | 47.7 | Very low | 50.6 | Low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -83.8 | -10.8 | 170.9 | -86 | -166.7 | 114 | 0 | 0 | 114.4 | H83 | E81-H83 PolarHBondContact O-N 3.35Š|
| 82 | E | 48.4 | Very low | 49 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -94.5 | 38.9 | -177.9 | -153 | -165.9 | 109.2 | 0 | 0 | 113.8 | | |
| 83 | H | 44.3 | Very low | 47.6 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | | | trans | -137.5 | 57.9 | 178.1 | -152.6 | 66.8 | 0 | 0 | 0 | 115.3 | E81 | E81-H83 PolarHBondContact O-N 3.35Š|
| 84 | A | 41.6 | Very low | 46.2 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -138.8 | 51.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 85 | G | 37.4 | Very low | 45 | Very low | 73 Ų | 73 | 141.9 Ų | 141.9 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | trans | 105.8 | 165.3 | 158 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 86 | P | 59.6 | Low | 43.8 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | -131.7 | 156.8 | -149.2 | 39.9 | -23.9 | 0 | 0 | 0 | 116.7 | | |
| 87 | Q | 35.1 | Very low | 42.8 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 94% | 0.944 | 77% | 0.769 | S | S | * | * | | | trans | -160.8 | 156 | 139 | -117.6 | 158.3 | 67.8 | 0 | 0 | 113 | | |
| 88 | Q | 43 | Very low | 42.1 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | -88.9 | 148.9 | -176.8 | -66 | -170.2 | 1.8 | 0 | 0 | 113 | | |
| 89 | A | 32 | Very low | 41.4 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -145.1 | 142.4 | 146 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 90 | E | 41.3 | Very low | 40.9 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -83.7 | 169.3 | -173.5 | -68.2 | -177.6 | 84.3 | 0 | 0 | 114.2 | | |
| 91 | N | 32.8 | Very low | 40.7 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | 83.7 | 81.1 | 147.6 | -146.6 | 5 | 0 | 0 | 0 | 118.6 | | |
| 92 | R | 41.8 | Very low | 40.6 | Very low | 238 Ų | 238 | 143.6 Ų | 143.6 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | | 54.2 | 82.2 | 122.9 | -166.4 | -170.3 | -176 | 167.2 | 1.3 | 117 | | |
| 93 | S | 39.3 | Very low | 41.7 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | trans | -129.1 | 115 | 142.7 | -169.5 | 0 | 0 | 0 | 0 | 110 | | |
| 94 | Q | 37.9 | Very low | 43 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | trans | 44.2 | 102.5 | 159.9 | -68.2 | 159.9 | 100.4 | 0 | 0 | 116.7 | A96 | Q94-A96 PolarHBondContact O-N 2.69Š|
| 95 | Q | 39.5 | Very low | 44.2 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -61.4 | 69.4 | 148.9 | -175.9 | -174.2 | -20.9 | 0 | 0 | 109.5 | L97 | Q95-L97 HydrophobicContact CG-CB 4.34Å; Q95-L97 PolarHBondContact O-N 2.77Å |
| 96 | A | 31.9 | Very low | 46 | Very low | 86 Ų | 86 | 145.3 Ų | 145.3 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | trans | -74.9 | 65.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q94 S98 | Q94-A96 PolarHBondContact O-N 2.69Å; A96-S98 PolarHBondContact O-N 3.09Å; A96-S98 VanDerWaalsContact O-N 3.1Å |
| 97 | L | 35 | Very low | 46.7 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 57% | 0.571 | 75% | 0.748 | S | S | * | * | | | trans | -49.1 | 119.4 | 166.4 | 176.5 | 67.1 | 0 | 0 | 0 | 106.5 | Q95 E99 | Q95-L97 HydrophobicContact CG-CB 4.34Å; Q95-L97 PolarHBondContact O-N 2.77Å; L97-E99 WeakPolarHBondContact CD2-OE1 3.37Å; L97-E99 PolarHBondContact O-N 2.92Å |
| 98 | S | 39.8 | Very low | 48.2 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | | | trans | -74.2 | 74.9 | 176.9 | 59.3 | 0 | 0 | 0 | 0 | 108.8 | A96 P100 | A96-S98 PolarHBondContact O-N 3.09Å; A96-S98 VanDerWaalsContact O-N 3.1Å; S98-P100 WeakPolarHBondContact O-CD 3.18Å; S98-P100 VanDerWaalsContact O-N 3.17Å |
| 99 | E | 40.1 | Very low | 48.9 | Very low | 128 Ų | 128 | 146 Ų | 146 | 60% | 0.598 | 73% | 0.733 | S | S | * | * | | | trans | -40.3 | 118.2 | 173.6 | -85.5 | -69.3 | 99.4 | 0 | 0 | 109.3 | L97 L101 | L97-E99 WeakPolarHBondContact CD2-OE1 3.37Å; L97-E99 PolarHBondContact O-N 2.92Å; E99-L101 PolarHBondContact O-N 2.86Å |
| 100 | P | 38.9 | Very low | 50.1 | Low | 117 Ų | 117 | 148.2 Ų | 148.2 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | | | trans | -66.8 | 78.4 | -174 | -25.8 | 36.8 | 0 | 0 | 0 | 113.5 | S98 E102 | S98-P100 WeakPolarHBondContact O-CD 3.18Å; S98-P100 VanDerWaalsContact O-N 3.17Å; P100-E102 PolarHBondContact O-N 2.88Å |
| 101 | L | 47.3 | Very low | 50.8 | Low | 163 Ų | 163 | 148.8 Ų | 148.8 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | | | trans | 23.1 | 82.6 | 176.7 | -174.3 | 68.9 | 0 | 0 | 0 | 113.2 | E99 S103 | E99-L101 PolarHBondContact O-N 2.86Å; L101-S103 PolarHBondContact O-N 3.22Å |
| 102 | E | 45.2 | Very low | 51.7 | Low | 150 Ų | 150 | 145.8 Ų | 145.8 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | | | trans | -34 | 108.2 | -175.2 | -73.9 | -169.9 | 94.4 | 0 | 0 | 112.6 | P100 R104 | P100-E102 PolarHBondContact O-N 2.88Å; E102-R104 PolarHBondContact O-N 2.92Å |
| 103 | S | 72.3 | Confident | 52 | Low | 59 Ų | 59 | 140.1 Ų | 140.1 | 41% | 0.413 | 73% | 0.728 | S | S | . | * | | | trans | -64.4 | 135.7 | -178.2 | 95.8 | 0 | 0 | 0 | 0 | 108.9 | L101 W105 L106 | L101-S103 PolarHBondContact O-N 3.22Å; S103-W105 PolarHBondContact O-N 3.24Å; S103-L106 PolarHBondContact O-N 3.31Å; S103-L106 VanDerWaalsContact OG-CD1 3.27Å; S103-L106 WeakPolarHBondContact OG-CD1 3.42Å |
| 104 | R | 72.2 | Confident | 52.6 | Low | 229 Ų | 229 | 144.5 Ų | 144.5 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -7 | -179.8 | -85.6 | 179.3 | 160.9 | 177.8 | -5.6 | 115.4 | E102 | E102-R104 PolarHBondContact O-N 2.92Š|
| 105 | W | 66.3 | Low | 52.7 | Low | 192 Ų | 192 | 144.1 Ų | 144.1 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -22.8 | 180 | -56.3 | 105.5 | 0 | 0 | 0 | 114.4 | S103 K107 Y108 | S103-W105 PolarHBondContact O-N 3.24Å; W105-K107 PolarHBondContact O-N 3.23Å; W105-Y108 PolarHBondContact O-N 2.97Å |
| 106 | L | 75.1 | Confident | 52.9 | Low | 92 Ų | 92 | 145 Ų | 145 | 48% | 0.482 | 75% | 0.745 | S | S | . | * | G | 310 helix | trans | -55.9 | -40.2 | -179.1 | -91.6 | 71.2 | 0 | 0 | 0 | 111.8 | S103 Y108 M109 D110 | S103-L106 PolarHBondContact O-N 3.31Å; S103-L106 VanDerWaalsContact OG-CD1 3.27Å; S103-L106 WeakPolarHBondContact OG-CD1 3.42Å; L106-Y108 PolarHBondContact O-N 3.29Å; L106-M109 PolarHBondContact O-N 3.37Å; L106-D110 PolarHBondContact O-N 2.84Å |
| 107 | K | 73.9 | Confident | 53.5 | Low | 180 Ų | 180 | 149 Ų | 149 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -54.1 | -14.7 | 175.2 | -176.3 | 164 | -176.6 | 165.6 | 0 | 115.2 | W105 | W105-K107 PolarHBondContact O-N 3.23Š|
| 108 | Y | 67.6 | Low | 53.8 | Low | 181 Ų | 181 | 151.5 Ų | 151.5 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -108.6 | -4.1 | 178.8 | -63.6 | -81.7 | 0 | 0 | 0 | 114.2 | W105 L106 | W105-Y108 PolarHBondContact O-N 2.97Å; L106-Y108 PolarHBondContact O-N 3.29Å |
| 109 | M | 56.2 | Low | 54.1 | Low | 163 Ų | 163 | 152.4 Ų | 152.4 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -36.2 | 179.5 | -63.5 | -170.1 | 66.7 | 0 | 0 | 112.5 | L106 K111 | L106-M109 PolarHBondContact O-N 3.37Å; M109-K111 VanDerWaalsContact C-N 3.27Å; M109-K111 PolarHBondContact O-N 3.27Å |
| 110 | D | 58.2 | Low | 53.9 | Low | 149 Ų | 149 | 157.1 Ų | 157.1 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -85.7 | 54.6 | -172.6 | -166.1 | 29.9 | 0 | 0 | 0 | 113.2 | L106 | L106-D110 PolarHBondContact O-N 2.84Š|
| 111 | K | 55.8 | Low | 53.7 | Low | 196 Ų | 196 | 154.4 Ų | 154.4 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | | | trans | -152.2 | 66.3 | -178.2 | -124.6 | 176.1 | -161.9 | -49.6 | 0 | 116.6 | M109 | M109-K111 VanDerWaalsContact C-N 3.27Å; M109-K111 PolarHBondContact O-N 3.27Å |
| 112 | G | 52 | Low | 53.1 | Low | 79 Ų | 79 | 158.5 Ų | 158.5 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | | | trans | 171.8 | 95.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 113 | C | 48.2 | Very low | 52.5 | Low | 118 Ų | 118 | 155.7 Ų | 155.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -164.4 | 24.8 | 150.3 | -156.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 114 | E | 50.5 | Low | 50.8 | Low | 190 Ų | 190 | 157.5 Ų | 157.5 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | -132.1 | 77.5 | -170.7 | -61.8 | -73.7 | 133.2 | 0 | 0 | 111.6 | | |
| 115 | D | 39.9 | Very low | 49.4 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | -179.7 | 98.2 | 142.8 | -145.7 | -14.3 | 0 | 0 | 0 | 111 | | |
| 116 | Q | 44.6 | Very low | 48.2 | Very low | 198 Ų | 198 | 153.3 Ų | 153.3 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -166.6 | 53.5 | 162.7 | -122.5 | -165.4 | 138.6 | 0 | 0 | 114.7 | | |
| 117 | E | 43.7 | Very low | 46.1 | Very low | 171 Ų | 171 | 155.1 Ų | 155.1 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -149.3 | 119.3 | 160.2 | -143 | -173.4 | 125 | 0 | 0 | 113 | | |
| 118 | L | 43.1 | Very low | 44.4 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | | 175.3 | 133.8 | 124.2 | -93 | 173.5 | 0 | 0 | 0 | 111.7 | | |
| 119 | D | 45 | Very low | 43 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 67% | 0.674 | 81% | 0.812 | S | S | * | * | | | trans | -90.5 | 138.7 | 178.6 | 164 | 63.3 | 0 | 0 | 0 | 113.9 | | |
| 120 | R | 36.7 | Very low | 41.8 | Very low | 228 Ų | 228 | 149 Ų | 149 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -160.2 | 122.4 | 138.2 | -148.9 | 135.6 | -63.3 | -135.9 | -0.4 | 113 | | |
| 121 | G | 34.1 | Very low | 40.7 | Very low | 59 Ų | 59 | 146.6 Ų | 146.6 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | | | trans | -104 | -163.6 | 178 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 122 | R | 33.9 | Very low | 39.6 | Very low | 250 Ų | 250 | 142.9 Ų | 142.9 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | | | trans | 81.3 | 133.1 | 178.8 | -163.2 | -178.5 | -65.2 | -85.2 | -1.4 | 114.4 | | |
| 123 | A | 32.6 | Very low | 38.7 | Very low | 91 Ų | 91 | 142.8 Ų | 142.8 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | cis | -149.7 | 166.8 | -6.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 124 | A | 37.5 | Very low | 37.9 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | | | trans | -87.6 | 162.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 125 | P | 43.1 | Very low | 36.9 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | | -122.2 | 165.4 | 128.9 | 36.5 | -31.8 | 0 | 0 | 0 | 113 | | |
| 126 | K | 41.1 | Very low | 37 | Very low | 205 Ų | 205 | 146.9 Ų | 146.9 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | -80.3 | 142.2 | -175.9 | -63.1 | 172.3 | 178.4 | 174.7 | 0 | 112.1 | | |
| 127 | T | 30.9 | Very low | 36.5 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | | | | -154.6 | 135 | 128.6 | -74 | 0 | 0 | 0 | 0 | 108.4 | | |
| 128 | Q | 38.3 | Very low | 36 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | trans | -144.5 | 126.5 | 175.3 | -87.7 | -71.7 | -18.7 | 0 | 0 | 105.2 | | |
| 129 | P | 38.2 | Very low | 35.9 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | | -146 | 143.8 | 107.8 | 36.4 | -21.6 | 0 | 0 | 0 | 115.5 | | |
| 130 | S | 30.9 | Very low | 35.4 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 72.2 | 142 | 151.5 | -155.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 131 | A | 33.9 | Very low | 35.6 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 60.6 | 131.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | A133 | A131-A133 PolarHBondContact O-N 3.03Š|
| 132 | S | 33.5 | Very low | 36 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -81.5 | 113.6 | -178.3 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 133 | A | 32.9 | Very low | 36.1 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 63% | 0.628 | 80% | 0.798 | S | S | * | * | | | trans | -58 | 141.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | A131 | A131-A133 PolarHBondContact O-N 3.03Š|
| 134 | E | 31.1 | Very low | 36.7 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | cis | 62.6 | 81.2 | 48.6 | -153.5 | 174.9 | 145.2 | 0 | 0 | 111.2 | P136 | E134-P136 WeakPolarHBondContact O-CD 3.35Š|
| 135 | W | 29.8 | Very low | 36.9 | Very low | 243 Ų | 243 | 136.1 Ų | 136.1 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 120.9 | 171.5 | -77.1 | 88.1 | 0 | 0 | 0 | 109.8 | | |
| 136 | P | 41.5 | Very low | 37 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 137.4 | 170.4 | -22.5 | 34.7 | 0 | 0 | 0 | 110.8 | E134 | E134-P136 WeakPolarHBondContact O-CD 3.35Š|
| 137 | G | 35.3 | Very low | 37.1 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 164.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 138 | L | 33.1 | Very low | 38.3 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | | | trans | -113.8 | 152.6 | 152.4 | -78.7 | 175.3 | 0 | 0 | 0 | 109.3 | C140 | L138-C140 PolarHBondContact O-N 3.17Š|
| 139 | P | 41.1 | Very low | 38.8 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 118.4 | -150.2 | 28.6 | -35.6 | 0 | 0 | 0 | 114.1 | | |
| 140 | C | 33.1 | Very low | 38.5 | Very low | 130 Ų | 130 | 152.8 Ų | 152.8 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -90 | 131.3 | 168.1 | -159.3 | 0 | 0 | 0 | 0 | 110.7 | L138 | L138-C140 PolarHBondContact O-N 3.17Š|
| 141 | S | 41.7 | Very low | 38.9 | Very low | 101 Ų | 101 | 153 Ų | 153 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -85 | 142.8 | -166 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | A143 | S141-A143 PolarHBondContact O-N 3.47Š|
| 142 | P | 42.7 | Very low | 39.5 | Very low | 119 Ų | 119 | 156.9 Ų | 156.9 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | -85.5 | 68.6 | -167.6 | 34.2 | -37.7 | 0 | 0 | 0 | 114.6 | R144 | P142-R144 VanDerWaalsContact C-N 3.29Å; P142-R144 PolarHBondContact O-N 3.01Å |
| 143 | A | 36.6 | Very low | 39.6 | Very low | 88 Ų | 88 | 156.7 Ų | 156.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -77.6 | 65 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S141 T145 | S141-A143 PolarHBondContact O-N 3.47Å; A143-T145 PolarHBondContact O-N 3.43Å |
| 144 | R | 44.2 | Very low | 39.9 | Very low | 221 Ų | 221 | 160.6 Ų | 160.6 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | | | trans | -69.3 | 108.2 | -176.5 | -68.7 | -177.4 | 68.7 | -159.6 | 5 | 113.4 | P142 R146 | P142-R144 VanDerWaalsContact C-N 3.29Å; P142-R144 PolarHBondContact O-N 3.01Å; R144-R146 PolarHBondContact O-N 3.24Å; R144-R146 VanDerWaalsContact O-N 3.17Å |
| 145 | T | 41.9 | Very low | 40.1 | Very low | 129 Ų | 129 | 155.4 Ų | 155.4 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | | | trans | -72.3 | 102.8 | 172.8 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | A143 K147 | A143-T145 PolarHBondContact O-N 3.43Å; T145-K147 PolarHBondContact O-N 3.07Å |
| 146 | R | 45.7 | Very low | 40.4 | Very low | 239 Ų | 239 | 152.7 Ų | 152.7 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | -71.6 | 92.8 | 173.4 | -78.4 | -173.1 | 175.8 | 179.4 | -0.3 | 111.4 | R144 R148 | R144-R146 PolarHBondContact O-N 3.24Å; R144-R146 VanDerWaalsContact O-N 3.17Å; R146-R148 PolarHBondContact O-N 3.02Å |
| 147 | K | 41.9 | Very low | 40.3 | Very low | 199 Ų | 199 | 151.3 Ų | 151.3 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 128 | 161.2 | -70 | -173.3 | 177.5 | -179.2 | 0 | 109.2 | T145 | T145-K147 PolarHBondContact O-N 3.07Š|
| 148 | R | 57.6 | Low | 40.3 | Very low | 248 Ų | 248 | 154 Ų | 154 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 130.8 | 171.3 | -80.7 | -168.8 | -89.2 | -174.9 | -6.6 | 109.6 | R146 | R146-R148 PolarHBondContact O-N 3.02Š|
| 149 | K | 47.6 | Very low | 40.3 | Very low | 182 Ų | 182 | 157.7 Ų | 157.7 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 128.5 | 178.3 | -171.6 | 174.9 | 178.5 | 179 | 0 | 109.8 | | |
| 150 | W | 31.4 | Very low | 39.9 | Very low | 230 Ų | 230 | 157.3 Ų | 157.3 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 120.1 | 168.9 | 173.7 | -84.8 | 0 | 0 | 0 | 108.9 | | |
| 151 | N | 40.6 | Very low | 40 | Very low | 115 Ų | 115 | 159.5 Ų | 159.5 | 62% | 0.615 | 82% | 0.819 | S | S | * | * | | | trans | -113.7 | 135.3 | 173.8 | -69.5 | -19.7 | 0 | 0 | 0 | 108.7 | | |
| 152 | Q | 45.2 | Very low | 39.5 | Very low | 179 Ų | 179 | 161.7 Ų | 161.7 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | | | trans | -81.2 | 141.7 | 170.8 | -60.3 | -179.9 | 71 | 0 | 0 | 108.8 | | |
| 153 | S | 36.2 | Very low | 39.1 | Very low | 116 Ų | 116 | 163.8 Ų | 163.8 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | -152.1 | 109.6 | 175.4 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 154 | T | 40.3 | Very low | 39.1 | Very low | 157 Ų | 157 | 166.5 Ų | 166.5 | 96% | 0.963 | 82% | 0.818 | S | S | * | * | | | trans | -90.2 | 126.8 | 167.1 | -57.2 | 0 | 0 | 0 | 0 | 108 | | |
| 155 | G | 34.7 | Very low | 38.3 | Very low | 74 Ų | 74 | 163.8 Ų | 163.8 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | -178.6 | 141.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 156 | Q | 36.2 | Very low | 38.2 | Very low | 186 Ų | 186 | 164.8 Ų | 164.8 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 160.9 | 179.5 | -73.9 | -75.9 | 15.5 | 0 | 0 | 112.1 | | |
| 157 | P | 39 | Very low | 37.4 | Very low | 97 Ų | 97 | 161.1 Ų | 161.1 | 63% | 0.63 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 148.2 | -176.3 | 34.6 | -34.5 | 0 | 0 | 0 | 113.4 | | |
| 158 | P | 35.9 | Very low | 37.1 | Very low | 127 Ų | 127 | 157 Ų | 157 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 151.1 | 165.6 | 32.8 | -33.7 | 0 | 0 | 0 | 111.4 | | |
| 159 | R | 32.2 | Very low | 36.1 | Very low | 247 Ų | 247 | 152.1 Ų | 152.1 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | | | trans | -94.5 | 179.5 | 173.6 | -76.1 | -175.9 | 173.3 | 174 | -2.3 | 112 | | |
| 160 | S | 34.4 | Very low | 35.6 | Very low | 119 Ų | 119 | 152 Ų | 152 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 161 | -164.5 | 45 | 0 | 0 | 0 | 0 | 116.4 | | |
| 161 | L | 33.5 | Very low | 35.5 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 156.6 | 174.3 | -72 | 167.5 | 0 | 0 | 0 | 113.1 | | |
| 162 | H | 32.6 | Very low | 35 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 128.7 | 180 | 159.3 | 97.7 | 0 | 0 | 0 | 111.8 | | |
| 163 | I | 33 | Very low | 34.3 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | | | trans | -130.2 | 147.8 | 151.7 | -68 | -174.5 | 0 | 0 | 0 | 106.4 | | |
| 164 | Q | 37.3 | Very low | 33.9 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -80.9 | 144.7 | -174 | -63.7 | 150 | 63.3 | 0 | 0 | 111.4 | | |
| 165 | D | 28 | Very low | 33.6 | Very low | 163 Ų | 163 | 148.7 Ų | 148.7 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | | | trans | -143.5 | 147 | 147.9 | -131.6 | -30.9 | 0 | 0 | 0 | 108.1 | | |
| 166 | L | 38.6 | Very low | 33.4 | Very low | 150 Ų | 150 | 153 Ų | 153 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -105 | 121.7 | 172.8 | -87.5 | 76.3 | 0 | 0 | 0 | 108.2 | | |
| 167 | D | 30.2 | Very low | 33.1 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | | -157.9 | 160.2 | 109 | -132.9 | -38.5 | 0 | 0 | 0 | 111.6 | | |
| 168 | S | 35.3 | Very low | 33.1 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -102.7 | 131 | -177.8 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 169 | V | 36.9 | Very low | 32.9 | Very low | 146 Ų | 146 | 152.8 Ų | 152.8 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | | | trans | -150.4 | 143.7 | 144.2 | 101.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 170 | E | 35.5 | Very low | 32.8 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | trans | -76.3 | 168.8 | 178.5 | -63 | 171.1 | 122.1 | 0 | 0 | 109 | | |
| 171 | D | 29.6 | Very low | 33 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | cis | -168.1 | 151.6 | 43.8 | -176.2 | -137.6 | 0 | 0 | 0 | 113 | | |
| 172 | N | 30.6 | Very low | 33.1 | Very low | 127 Ų | 127 | 147 Ų | 147 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | | | trans | 51.3 | 162.7 | 154.7 | -131.6 | -16.8 | 0 | 0 | 0 | 124.6 | | |
| 173 | F | 31.1 | Very low | 33.1 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 80% | 0.803 | 80% | 0.803 | S | S | * | * | | | trans | -76.5 | 170 | 166.3 | -59.1 | -101.2 | 0 | 0 | 0 | 109 | | |
| 174 | E | 26.9 | Very low | 33.3 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 73% | 0.729 | 81% | 0.807 | S | S | * | * | | | cis | -164.9 | 162.5 | 48.3 | -174.4 | 164.9 | 96.5 | 0 | 0 | 112.3 | Q176 | E174-Q176 PolarHBondContact OE1-NE2 3.34Š|
| 175 | C | 34.4 | Very low | 33.1 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -114.2 | 119.2 | 172.9 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 176 | Q | 30.8 | Very low | 33.4 | Very low | 164 Ų | 164 | 148 Ų | 148 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | | | trans | -142.2 | 147.2 | 167.1 | -91.9 | -173.3 | 86.1 | 0 | 0 | 113.3 | E174 | E174-Q176 PolarHBondContact OE1-NE2 3.34Š|
| 177 | D | 29.8 | Very low | 33.2 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | | | trans | -64.2 | 176.1 | -168.6 | -81.6 | -61.3 | 0 | 0 | 0 | 118.2 | | |
| 178 | S | 38 | Very low | 33.1 | Very low | 103 Ų | 103 | 148 Ų | 148 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | | | trans | 97 | 106.8 | 146 | -63.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 179 | T | 33.1 | Very low | 32.8 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | | | | 56.6 | 104.1 | 117.9 | -47.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 180 | G | 29.9 | Very low | 32.7 | Very low | 77 Ų | 77 | 144.6 Ų | 144.6 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -152.4 | 140.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 181 | L | 38.5 | Very low | 32.4 | Very low | 170 Ų | 170 | 142 Ų | 142 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | trans | -103.1 | 177.6 | 176.7 | -82.9 | 169.1 | 0 | 0 | 0 | 111.4 | | |
| 182 | L | 34.5 | Very low | 32.6 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | | | trans | 78.5 | 128.4 | -176.5 | -47.3 | 172.5 | 0 | 0 | 0 | 113.2 | | |
| 183 | G | 33.5 | Very low | 33 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | | | cis | 105.2 | 68.4 | -4.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 184 | T | 36.3 | Very low | 32.9 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 92% | 0.92 | 83% | 0.827 | S | S | * | * | | | trans | -142.5 | 137.8 | 162.7 | 26.7 | 0 | 0 | 0 | 0 | 111 | | |
| 185 | E | 34.1 | Very low | 33.1 | Very low | 181 Ų | 181 | 135 Ų | 135 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | | | trans | -109.4 | 127.8 | 179.8 | 173.3 | -167 | 103.1 | 0 | 0 | 109.4 | | |
| 186 | R | 33.4 | Very low | 33.1 | Very low | 238 Ų | 238 | 134 Ų | 134 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | | | trans | -171.8 | 98 | 151.7 | -108.4 | 156.5 | -174.5 | -89.2 | -2.9 | 115.4 | | |
| 187 | Q | 33.9 | Very low | 33.5 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 84% | 0.835 | S | S | * | * | | | trans | 3.6 | 133.9 | 131.4 | -164.4 | -174.3 | 83.6 | 0 | 0 | 119.4 | | |
| 188 | V | 29.1 | Very low | 33.8 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | | | trans | 149.7 | 139.2 | 133.5 | 164.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 189 | G | 29.8 | Very low | 33.7 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | | | trans | 88.4 | 93 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 190 | S | 33.1 | Very low | 33.9 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | | | | 66 | 99.2 | 66.7 | -171.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 191 | S | 30.6 | Very low | 34 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | | | | -170.4 | 158.9 | 116.5 | -78.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 192 | A | 33.8 | Very low | 34 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | -102.5 | 153.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 193 | L | 38.3 | Very low | 34 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 98% | 0.979 | 82% | 0.819 | S | S | * | * | | | | -163.1 | 149.8 | 128.8 | -100.6 | 164.5 | 0 | 0 | 0 | 108 | | |
| 194 | G | 28.2 | Very low | 34.1 | Very low | 78 Ų | 78 | 142.8 Ų | 142.8 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | -117.3 | 160.6 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 195 | A | 32.4 | Very low | 34.2 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | | | trans | -135.3 | 121.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 196 | A | 34.1 | Very low | 34.3 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -95.6 | 114 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 197 | T | 39.4 | Very low | 34.2 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -106.6 | 112 | 165.7 | 46.5 | 0 | 0 | 0 | 0 | 109.8 | I199 | T197-I199 PolarHBondContact O-N 3.12Š|
| 198 | H | 35.3 | Very low | 34.4 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | | | trans | -86.2 | 102.6 | -173.6 | 54.3 | -84.4 | 0 | 0 | 0 | 110.8 | | |
| 199 | I | 37 | Very low | 34.8 | Very low | 155 Ų | 155 | 142 Ų | 142 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | | | trans | -96.7 | 103.6 | 164.7 | -59 | -176.6 | 0 | 0 | 0 | 107.6 | T197 E201 | T197-I199 PolarHBondContact O-N 3.12Å; I199-E201 PolarHBondContact O-N 3.28Å |
| 200 | R | 36.3 | Very low | 35.2 | Very low | 217 Ų | 217 | 144.7 Ų | 144.7 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | | | trans | -64.1 | 105.9 | 171.1 | -91.8 | -176.6 | 165.6 | -128.1 | 1.8 | 109.1 | L202 | R200-L202 PolarHBondContact O-N 3.43Š|
| 201 | E | 32.3 | Very low | 35.2 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -61.8 | 105.3 | 159.4 | -73.4 | -153 | 118.9 | 0 | 0 | 109.2 | I199 G203 | I199-E201 PolarHBondContact O-N 3.28Å; E201-G203 VanDerWaalsContact C-N 3.29Å; E201-G203 PolarHBondContact O-N 3.32Å |
| 202 | L | 38.9 | Very low | 36 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | | | trans | -75.1 | 89.3 | 164.5 | -68.8 | 178.5 | 0 | 0 | 0 | 107.8 | R200 F204 | R200-L202 PolarHBondContact O-N 3.43Å; L202-F204 HydrophobicContact CB-CE2 4.28Å; L202-F204 WeakPolarHBondContact O-CD2 3.27Å; L202-F204 PolarHBondContact O-N 2.97Å |
| 203 | G | 33.3 | Very low | 35.9 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | -61.2 | 91.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E201 | E201-G203 VanDerWaalsContact C-N 3.29Å; E201-G203 PolarHBondContact O-N 3.32Å |
| 204 | F | 36.6 | Very low | 35.9 | Very low | 179 Ų | 179 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -65.6 | 135.3 | 172 | -71.6 | -86.8 | 0 | 0 | 0 | 109.9 | L202 R206 | L202-F204 HydrophobicContact CB-CE2 4.28Å; L202-F204 WeakPolarHBondContact O-CD2 3.27Å; L202-F204 PolarHBondContact O-N 2.97Å; F204-R206 PolarHBondContact O-N 3.25Å |
| 205 | P | 38.7 | Very low | 36.8 | Very low | 84 Ų | 84 | 150.6 Ų | 150.6 | 55% | 0.545 | 80% | 0.799 | S | S | . | * | | | trans | -60.1 | 127.6 | -176.6 | 21.3 | -31.9 | 0 | 0 | 0 | 111.6 | W207 | P205-W207 VanDerWaalsContact C-N 3.26Å; P205-W207 HydrophobicContact CG-CZ2 4.33Å; P205-W207 VanDerWaalsContact O-CD1 3.23Å; P205-W207 PolarHBondContact O-N 3.41Å |
| 206 | R | 35.4 | Very low | 36.8 | Very low | 220 Ų | 220 | 152 Ų | 152 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | | | trans | -74.3 | 71.6 | -175.9 | -166.3 | 178.7 | 97.6 | -166.3 | 11 | 111.7 | F204 K208 | F204-R206 PolarHBondContact O-N 3.25Å; R206-K208 PolarHBondContact O-N 3.26Å |
| 207 | W | 31.5 | Very low | 36.9 | Very low | 224 Ų | 224 | 156.5 Ų | 156.5 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -55.5 | 111.9 | 171.6 | -61.2 | 109.8 | 0 | 0 | 0 | 109.8 | P205 L209 | P205-W207 VanDerWaalsContact C-N 3.26Å; P205-W207 HydrophobicContact CG-CZ2 4.33Å; P205-W207 VanDerWaalsContact O-CD1 3.23Å; P205-W207 PolarHBondContact O-N 3.41Å; W207-L209 PolarHBondContact O-N 3.36Å |
| 208 | K | 37.4 | Very low | 36.9 | Very low | 180 Ų | 180 | 155.2 Ų | 155.2 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 120 | -178.9 | -64.2 | -177.9 | -177.3 | 178.3 | 0 | 109.2 | R206 | R206-K208 PolarHBondContact O-N 3.26Š|
| 209 | L | 38.8 | Very low | 37.1 | Very low | 159 Ų | 159 | 155.6 Ų | 155.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 131.2 | 164.9 | -69.7 | 168.9 | 0 | 0 | 0 | 108.9 | W207 S211 | W207-L209 PolarHBondContact O-N 3.36Å; L209-S211 PolarHBondContact O-N 3.18Å |
| 210 | P | 38.4 | Very low | 37.8 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 120.2 | 167.8 | -18.4 | 32.4 | 0 | 0 | 0 | 110.2 | | |
| 211 | S | 33.4 | Very low | 39.2 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 136.2 | 171 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | L209 | L209-S211 PolarHBondContact O-N 3.18Š|
| 212 | P | 45.5 | Very low | 40.8 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -93 | 106.6 | -172.9 | 33.9 | -33.3 | 0 | 0 | 0 | 113.3 | | |
| 213 | V | 33.4 | Very low | 41.2 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -149.7 | 114.5 | 145.4 | 173.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 214 | L | 38.2 | Very low | 42.4 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | | -170.5 | 138.3 | 123.4 | -101 | 175.1 | 0 | 0 | 0 | 108.4 | | |
| 215 | Q | 46.1 | Very low | 43.3 | Very low | 195 Ų | 195 | 146.6 Ų | 146.6 | 91% | 0.911 | 76% | 0.756 | S | S | * | * | | | trans | -77.2 | 124.7 | 178.4 | -71 | 178.3 | -14.7 | 0 | 0 | 110.1 | | |
| 216 | V | 33.9 | Very low | 44 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | | | trans | -124.3 | 137.9 | 162.8 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 217 | K | 35.3 | Very low | 44.7 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | | | trans | -52.6 | 139.5 | -175.6 | -71.5 | 175.7 | 179.2 | 176.2 | 0 | 111 | Q219 | K217-Q219 PolarHBondContact O-N 2.7Š|
| 218 | A | 39.2 | Very low | 45.4 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 88% | 0.884 | 76% | 0.757 | S | S | * | * | | | trans | -62.2 | 97.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 219 | Q | 40.3 | Very low | 45.7 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 134.8 | 167.2 | -70.2 | -170.4 | -15.5 | 0 | 0 | 108.7 | K217 S221 | K217-Q219 PolarHBondContact O-N 2.7Å; Q219-S221 PolarHBondContact O-N 2.73Å |
| 220 | S | 50.5 | Low | 46 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 133.6 | -180 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | K222 | S220-K222 PolarHBondContact O-N 3.22Š|
| 221 | S | 65.5 | Low | 45.9 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 51% | 0.51 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -47.5 | 139.8 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | Q219 W223 A224 | Q219-S221 PolarHBondContact O-N 2.73Å; S221-W223 PolarHBondContact O-N 3.02Å; S221-W223 PolarHBondContact OG-N 2.95Å; S221-A224 VanDerWaalsContact O-CB 3.29Å; S221-A224 WeakPolarHBondContact O-CB 3.32Å; S221-A224 PolarHBondContact O-N 2.84Å |
| 222 | K | 66.3 | Low | 46 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -12.8 | 176 | -164 | 168.8 | -178.2 | 174 | 0 | 113.1 | S220 | S220-K222 PolarHBondContact O-N 3.22Š|
| 223 | W | 48 | Very low | 45.6 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 63% | 0.625 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -10.6 | 174.4 | -62.7 | 98 | 0 | 0 | 0 | 115.4 | S221 R225 F226 L227 | S221-W223 PolarHBondContact O-N 3.02Å; S221-W223 PolarHBondContact OG-N 2.95Å; W223-R225 PolarHBondContact O-N 3.21Å; W223-R225 VanDerWaalsContact O-N 3.16Å; W223-F226 HydrophobicContact CE3-CD2 4.16Å; W223-F226 PolarHBondContact O-N 3.37Å; W223-L227 PolarHBondContact O-N 3.16Å |
| 224 | A | 58.4 | Low | 45.9 | Very low | 47 Ų | 47 | 135.6 Ų | 135.6 | 39% | 0.388 | 75% | 0.745 | S | S | . | * | G | 310 helix | trans | -58.7 | -30.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S221 F226 L227 | S221-A224 VanDerWaalsContact O-CB 3.29Å; S221-A224 WeakPolarHBondContact O-CB 3.32Å; S221-A224 PolarHBondContact O-N 2.84Å; A224-F226 PolarHBondContact O-N 2.92Å; A224-L227 PolarHBondContact O-N 2.94Å |
| 225 | R | 55.2 | Low | 45.8 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -70 | -7.2 | 174.4 | -70.9 | -175.7 | -83.8 | 107.7 | -14.4 | 114.9 | W223 | W223-R225 PolarHBondContact O-N 3.21Å; W223-R225 VanDerWaalsContact O-N 3.16Å |
| 226 | F | 53.2 | Low | 45.4 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 65% | 0.645 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -115 | 3.6 | 176.6 | -58.6 | -73.1 | 0 | 0 | 0 | 112.7 | W223 A224 L228 | W223-F226 HydrophobicContact CE3-CD2 4.16Å; W223-F226 PolarHBondContact O-N 3.37Å; A224-F226 PolarHBondContact O-N 2.92Å; F226-L228 PolarHBondContact O-N 2.99Å |
| 227 | L | 50.9 | Low | 45.7 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | | | trans | -89.1 | 93.7 | 166 | -63 | -179.9 | 0 | 0 | 0 | 107.6 | W223 A224 S229 | W223-L227 PolarHBondContact O-N 3.16Å; A224-L227 PolarHBondContact O-N 2.94Å; L227-S229 PolarHBondContact O-N 3.43Å; L227-S229 VanDerWaalsContact O-N 3.12Å |
| 228 | L | 46.5 | Very low | 45.7 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | | | trans | -56.7 | 117.7 | 159.4 | -70.5 | 172 | 0 | 0 | 0 | 107.2 | F226 | F226-L228 PolarHBondContact O-N 2.99Š|
| 229 | S | 43 | Very low | 45.5 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | | | trans | -56.2 | 149.2 | 167.8 | -56.7 | 0 | 0 | 0 | 0 | 109.2 | L227 G231 | L227-S229 PolarHBondContact O-N 3.43Å; L227-S229 VanDerWaalsContact O-N 3.12Å; S229-G231 PolarHBondContact O-N 2.77Å |
| 230 | P | 44.6 | Very low | 45.4 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | | | trans | -56.8 | 103.9 | 166.7 | -21.6 | 33.6 | 0 | 0 | 0 | 108.6 | N232 | P230-N232 PolarHBondContact O-N 3.09Š|
| 231 | G | 35.8 | Very low | 44.5 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 126.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | S229 S233 | S229-G231 PolarHBondContact O-N 2.77Å; G231-S233 PolarHBondContact O-N 3.14Å; G231-S233 VanDerWaalsContact O-N 3.16Å |
| 232 | N | 36 | Very low | 43 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 87% | 0.866 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 120.9 | 173 | -66.1 | -55 | 0 | 0 | 0 | 108.4 | P230 | P230-N232 PolarHBondContact O-N 3.09Š|
| 233 | S | 38.2 | Very low | 41.2 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 135.1 | 171.4 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | G231 H235 | G231-S233 PolarHBondContact O-N 3.14Å; G231-S233 VanDerWaalsContact O-N 3.16Å; S233-H235 PolarHBondContact O-N 3.49Å; S233-H235 VanDerWaalsContact O-N 3.14Å |
| 234 | P | 38 | Very low | 40.7 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 120.5 | 163.7 | 26.9 | -31.7 | 0 | 0 | 0 | 107.7 | V236 | P234-V236 PolarHBondContact O-N 3.4Å; P234-V236 VanDerWaalsContact O-N 3.09Å |
| 235 | H | 37.5 | Very low | 39.6 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | trans | -73.3 | 95.3 | 173.2 | 172.9 | -67.6 | 0 | 0 | 0 | 107.8 | S233 D237 | S233-H235 PolarHBondContact O-N 3.49Å; S233-H235 VanDerWaalsContact O-N 3.14Å; H235-D237 PolarHBondContact O-N 3.31Å |
| 236 | V | 37.1 | Very low | 38.5 | Very low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -67.7 | 128.3 | 164.3 | -73.8 | 0 | 0 | 0 | 0 | 108.6 | P234 E238 | P234-V236 PolarHBondContact O-N 3.4Å; P234-V236 VanDerWaalsContact O-N 3.09Å; V236-E238 PolarHBondContact O-N 3Å |
| 237 | D | 40.2 | Very low | 37.6 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -79.7 | 104.6 | -176.2 | 179.7 | 32.6 | 0 | 0 | 0 | 110.4 | H235 | H235-D237 PolarHBondContact O-N 3.31Š|
| 238 | E | 34.8 | Very low | 36.8 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | trans | -119.8 | 64.5 | 177.6 | -154.4 | 173.5 | 136 | 0 | 0 | 111.6 | V236 | V236-E238 PolarHBondContact O-N 3Š|
| 239 | N | 36.2 | Very low | 36.2 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | 32.6 | 95 | 144.3 | -165 | -4.3 | 0 | 0 | 0 | 116.8 | S241 | N239-S241 PolarHBondContact O-N 3.17Š|
| 240 | P | 37 | Very low | 35.7 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -65.8 | 133.6 | -176 | 26.9 | -34.4 | 0 | 0 | 0 | 112.9 | | |
| 241 | S | 32.3 | Very low | 35.2 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -63.6 | 144.7 | -174.1 | -81.3 | 0 | 0 | 0 | 0 | 114.3 | N239 F243 | N239-S241 PolarHBondContact O-N 3.17Å; S241-F243 PolarHBondContact O-N 3.17Å; S241-F243 VanDerWaalsContact O-N 3.14Å |
| 242 | R | 33.3 | Very low | 35.6 | Very low | 245 Ų | 245 | 147.5 Ų | 147.5 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | | | trans | -51.3 | 110.6 | -179.4 | -62.1 | 169.7 | -179.8 | 145.7 | -0.8 | 112.5 | | |
| 243 | F | 28.7 | Very low | 35.2 | Very low | 195 Ų | 195 | 145.9 Ų | 145.9 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -93.3 | 115.6 | 162.4 | -121 | -91.6 | 0 | 0 | 0 | 110.1 | S241 Q245 | S241-F243 PolarHBondContact O-N 3.17Å; S241-F243 VanDerWaalsContact O-N 3.14Å; F243-Q245 PolarHBondContact O-N 2.94Å |
| 244 | L | 38.4 | Very low | 35.1 | Very low | 165 Ų | 165 | 150 Ų | 150 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -82.7 | 97.6 | 178.1 | -72.5 | 171.9 | 0 | 0 | 0 | 110.8 | | |
| 245 | Q | 35.5 | Very low | 34.8 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | -134.6 | 122.3 | 154.8 | -83.2 | 179.6 | 16.4 | 0 | 0 | 108.8 | F243 | F243-Q245 PolarHBondContact O-N 2.94Š|
| 246 | G | 31.5 | Very low | 34.7 | Very low | 80 Ų | 80 | 149.2 Ų | 149.2 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -108.8 | 134.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 247 | T | 34.2 | Very low | 34.5 | Very low | 150 Ų | 150 | 152 Ų | 152 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | | | trans | -136.3 | 143.6 | 155.4 | -2.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 248 | R | 33.9 | Very low | 33.9 | Very low | 236 Ų | 236 | 149.2 Ų | 149.2 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | | | trans | -87.8 | 142.4 | -175.8 | -56.7 | 167.7 | 176.4 | -114.6 | 2.9 | 110.3 | | |
| 249 | L | 33.9 | Very low | 33.7 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | | | | -168.5 | 148.5 | 114.2 | -140.2 | 62.1 | 0 | 0 | 0 | 113.2 | | |
| 250 | A | 32.7 | Very low | 33.4 | Very low | 77 Ų | 77 | 147.5 Ų | 147.5 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | | | trans | 22.5 | 112.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 251 | D | 33.7 | Very low | 33.1 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | | | | 48.7 | 154 | 100.8 | -77.9 | -53.1 | 0 | 0 | 0 | 122 | | |
| 252 | P | 43.8 | Very low | 33 | Very low | 100 Ų | 100 | 146.9 Ų | 146.9 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | | | | -128.5 | -179.9 | -123.2 | 44 | -31.8 | 0 | 0 | 0 | 116.1 | | |
| 253 | T | 28.8 | Very low | 33 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | 30.4 | 123.1 | 150.8 | 53.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 254 | Q | 35.2 | Very low | 33.4 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | | -133.2 | 128.6 | 127.2 | -155.2 | 173.8 | -0.1 | 0 | 0 | 110.5 | | |
| 255 | A | 32.2 | Very low | 33.6 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | | | trans | -110 | 151.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 256 | E | 34.6 | Very low | 33.3 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -158.5 | 143.2 | 155.2 | -95.8 | -84.2 | 49.2 | 0 | 0 | 106.9 | | |
| 257 | Q | 33.2 | Very low | 33.4 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | -101.9 | 125.1 | -177.4 | -143.8 | 89 | 8.4 | 0 | 0 | 109.1 | | |
| 258 | G | 28.4 | Very low | 33.3 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -130.3 | 88.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 259 | T | 31.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -93.7 | 137.6 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 260 | L | 29.2 | Very low | 33.2 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | | 170.6 | 148.6 | 124.3 | -85.9 | 168.3 | 0 | 0 | 0 | 113.5 | | |
| 261 | D | 30.3 | Very low | 33.4 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | 46.8 | 103.9 | 157.2 | -73.2 | -75.9 | 0 | 0 | 0 | 125 | | |
| 262 | A | 30.8 | Very low | 33.3 | Very low | 84 Ų | 84 | 139 Ų | 139 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | | | | 53.6 | 113.8 | 108.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 263 | K | 33.1 | Very low | 33.1 | Very low | 210 Ų | 210 | 138.4 Ų | 138.4 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | | | trans | -161 | 134.5 | 130.1 | -116.2 | 166.2 | -174.5 | 172.6 | 0 | 113.8 | | |
| 264 | T | 36.7 | Very low | 34 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | -121.2 | 153.7 | 155.8 | -29.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 265 | P | 43.1 | Very low | 34 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | | | | -152.2 | 170.2 | 104.1 | 39.1 | -22.4 | 0 | 0 | 0 | 115.6 | | |
| 266 | G | 29.7 | Very low | 34 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | | | trans | 90.3 | 144.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 267 | E | 31.9 | Very low | 34 | Very low | 205 Ų | 205 | 133.7 Ų | 133.7 | 96% | 0.958 | 77% | 0.773 | S | S | * | * | | | cis | -164.6 | 141.6 | -16.4 | -134.7 | 167.8 | 123.1 | 0 | 0 | 108.8 | | |
| 268 | G | 31.9 | Very low | 33.9 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | | | trans | 164.8 | 105.1 | 178 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 269 | H | 35.1 | Very low | 34.3 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | -141.2 | 163.5 | -176.7 | -75.9 | 5.5 | 0 | 0 | 0 | 111.3 | | |
| 270 | F | 32.3 | Very low | 34.8 | Very low | 187 Ų | 187 | 138 Ų | 138 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | | | cis | -107 | -147.2 | -1.1 | -63.1 | -88 | 0 | 0 | 0 | 109.5 | | |
| 271 | S | 36.5 | Very low | 35 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | cis | -150.1 | 140.4 | 9.4 | -100.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 272 | R | 31.7 | Very low | 34.8 | Very low | 229 Ų | 229 | 137 Ų | 137 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | | 78.6 | 96.5 | 66.8 | -172.3 | 170.8 | -77.9 | -164.7 | -3.1 | 114.5 | | |
| 273 | A | 38.5 | Very low | 34.8 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | -87.9 | 174.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 274 | P | 48.6 | Very low | 35.6 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | | -129.9 | -147.2 | 55 | 32.6 | -8.4 | 0 | 0 | 0 | 111 | | |
| 275 | D | 34.4 | Very low | 35.1 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | cis | -162.7 | 169.5 | 10.8 | -143.1 | -30.6 | 0 | 0 | 0 | 114.3 | | |
| 276 | T | 31.9 | Very low | 34.2 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | trans | 18 | 132.8 | 147.9 | -63 | 0 | 0 | 0 | 0 | 121.1 | | |
| 277 | V | 34.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 136 Ų | 136 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | | | | -177.2 | 114.7 | 120 | 152.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 278 | Q | 32 | Very low | 34.8 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | trans | 31.3 | 133.6 | 146.1 | -52.7 | -165.3 | 59.9 | 0 | 0 | 125.3 | | |
| 279 | R | 37.2 | Very low | 34.8 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -91.8 | 144.4 | 147.3 | 166.5 | -162.3 | -174.6 | -163.9 | 12.2 | 109.7 | | |
| 280 | P | 42.3 | Very low | 35.5 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | | | trans | -107.6 | 162.8 | 153.7 | -1.6 | 22.6 | 0 | 0 | 0 | 113.3 | | |
| 281 | Q | 33.3 | Very low | 35.4 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 65% | 0.654 | 75% | 0.746 | S | S | * | * | | | trans | -135 | 167.8 | 163.7 | -71.1 | -134.2 | 125.5 | 0 | 0 | 110.1 | | |
| 282 | T | 26.4 | Very low | 35.2 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | 113.8 | 135.7 | 143.2 | -39.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 283 | T | 30 | Very low | 35.9 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | | | trans | -67.2 | -173.6 | 173.7 | 10.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 284 | P | 49 | Very low | 35.5 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | | | cis | -139.5 | -179.3 | -1.8 | 37.2 | -16.3 | 0 | 0 | 0 | 118.2 | | |
| 285 | A | 26.6 | Very low | 34.9 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | | | trans | 70.8 | 128.9 | 139.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 286 | T | 24.6 | Very low | 34.8 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | | | | 157.8 | 139.8 | 114.8 | -62.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 287 | T | 33.2 | Very low | 34.9 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | trans | -86.5 | 161.1 | -179 | -16.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 288 | P | 40.8 | Very low | 35.5 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | | -151.6 | 175.9 | 78.8 | 39.4 | -18.7 | 0 | 0 | 0 | 117.9 | | |
| 289 | Q | 32.6 | Very low | 35.5 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | -85.2 | 179 | 167.1 | -110.8 | -101.7 | -58.5 | 0 | 0 | 110.9 | | |
| 290 | P | 50.3 | Low | 35.3 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | | | cis | -119.9 | -155.7 | 37.2 | 42.2 | -25.8 | 0 | 0 | 0 | 113.1 | | |
| 291 | E | 29.7 | Very low | 36.1 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | cis | -152.7 | 177.6 | -1.8 | -143.6 | -61.2 | 79.1 | 0 | 0 | 108.6 | | |
| 292 | G | 32.1 | Very low | 36 | Very low | 55 Ų | 55 | 134.1 Ų | 134.1 | 57% | 0.567 | 75% | 0.752 | S | S | * | * | | | trans | -88 | -138.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 293 | P | 46.8 | Very low | 36.2 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | | | cis | -121.4 | -175 | -2.1 | 41.3 | -27.9 | 0 | 0 | 0 | 112.9 | | |
| 294 | G | 28.4 | Very low | 36.3 | Very low | 67 Ų | 67 | 135.3 Ų | 135.3 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | cis | 151.2 | -176.1 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 295 | R | 36.2 | Very low | 35.4 | Very low | 239 Ų | 239 | 133.6 Ų | 133.6 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | trans | 64 | 135 | 164 | -62.6 | 180 | 175.4 | -98.4 | -0.9 | 118.3 | | |
| 296 | K | 32.6 | Very low | 36 | Very low | 200 Ų | 200 | 136.2 Ų | 136.2 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | | | | -169.1 | 142.5 | 63.6 | 51.4 | -147 | 168.1 | -172.5 | 0 | 115 | | |
| 297 | T | 34.8 | Very low | 37 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | trans | -88 | 160.6 | 164.9 | -26.1 | 0 | 0 | 0 | 0 | 110.5 | E299 | T297-E299 WeakPolarHBondContact CB-OE1 3.3Å; T297-E299 WeakPolarHBondContact CG2-OE1 3.46Å |
| 298 | P | 47.7 | Very low | 37 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | | | | -147.3 | 169.2 | 104.3 | 31 | -11.4 | 0 | 0 | 0 | 115.1 | | |
| 299 | E | 30.5 | Very low | 36.6 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | | | cis | -164.4 | -153.4 | -35.2 | -135.9 | 73 | -90 | 0 | 0 | 109.2 | T297 | T297-E299 WeakPolarHBondContact CB-OE1 3.3Å; T297-E299 WeakPolarHBondContact CG2-OE1 3.46Å |
| 300 | Q | 33.8 | Very low | 36.9 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -152.3 | -175.7 | 178.7 | -93.4 | -112.2 | 4.7 | 0 | 0 | 108.5 | | |
| 301 | P | 59.4 | Low | 36.1 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 57% | 0.565 | 78% | 0.782 | S | S | * | * | | | cis | -140.5 | -156.3 | 9.1 | 31.7 | -4.6 | 0 | 0 | 0 | 115.5 | | |
| 302 | W | 30.5 | Very low | 36.6 | Very low | 243 Ų | 243 | 139.7 Ų | 139.7 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | | | trans | 86.4 | 147 | 160.6 | -61.8 | -12 | 0 | 0 | 0 | 118.6 | | |
| 303 | A | 31.2 | Very low | 37.2 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | cis | -162.2 | 177.5 | -17.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 304 | M | 32.3 | Very low | 36.9 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 95% | 0.946 | 80% | 0.798 | S | S | * | * | | | trans | -21.6 | 141.4 | 177.7 | -68.1 | 173.5 | -80.9 | 0 | 0 | 120.1 | | |
| 305 | G | 29 | Very low | 37.2 | Very low | 79 Ų | 79 | 145.2 Ų | 145.2 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | trans | 176.9 | 109.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 306 | T | 38.7 | Very low | 37.4 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -103.8 | 145.7 | 155.1 | 41.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 307 | P | 46.1 | Very low | 37.3 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | | | | -144.2 | 169.2 | 99.5 | 38.7 | -24 | 0 | 0 | 0 | 116.1 | | |
| 308 | Q | 34.4 | Very low | 37.4 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | | | trans | -41.6 | 140.8 | 165.4 | 165.1 | -169 | 61.2 | 0 | 0 | 116.5 | | |
| 309 | A | 31.8 | Very low | 36.9 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | | | trans | -161.9 | 150.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 310 | D | 38.6 | Very low | 37.3 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | | | trans | -74.2 | 154.4 | 179.8 | -68.3 | -88.1 | 0 | 0 | 0 | 114.2 | | |
| 311 | G | 32.5 | Very low | 37.7 | Very low | 74 Ų | 74 | 139.1 Ų | 139.1 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | trans | 179.8 | 55.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117 | P313 | G311-P313 WeakPolarHBondContact O-CD 3.43Š|
| 312 | R | 40.5 | Very low | 36.8 | Very low | 221 Ų | 221 | 140.8 Ų | 140.8 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | | | trans | -85.6 | 122.7 | 168.5 | -166.7 | -174.2 | -159.1 | -136.9 | 7.2 | 110.7 | | |
| 313 | P | 45.4 | Very low | 37.3 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | | | trans | -119.1 | 153.1 | 137 | -3.5 | 24.1 | 0 | 0 | 0 | 112.7 | G311 | G311-P313 WeakPolarHBondContact O-CD 3.43Š|
| 314 | L | 40.2 | Very low | 37.9 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | | | trans | -87.1 | 119.9 | 176.4 | -172.9 | 75.7 | 0 | 0 | 0 | 109.6 | | |
| 315 | A | 35.5 | Very low | 38.4 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | | | trans | -141.7 | 149.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 316 | Q | 40.1 | Very low | 39.1 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | | | trans | -84.8 | 115.9 | -166.1 | -66.4 | 161.2 | -45.9 | 0 | 0 | 112.5 | | |
| 317 | G | 30.7 | Very low | 39.8 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | trans | -92.8 | 116.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 318 | A | 36.8 | Very low | 39.4 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -67.4 | 133.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K320 | A318-K320 PolarHBondContact O-N 2.98Å; A318-K320 VanDerWaalsContact O-N 3.09Å |
| 319 | Q | 37 | Very low | 40.2 | Very low | 202 Ų | 202 | 140.1 Ų | 140.1 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | | | trans | -72.2 | 106.4 | 179.5 | -64.6 | -162.9 | 12.5 | 0 | 0 | 111 | | |
| 320 | K | 38.7 | Very low | 40.9 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | | | trans | -89.1 | 111.2 | 172.3 | -174.9 | 179.5 | 179.4 | -176.9 | 0 | 109.1 | A318 | A318-K320 PolarHBondContact O-N 2.98Å; A318-K320 VanDerWaalsContact O-N 3.09Å |
| 321 | A | 41.9 | Very low | 41.5 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 142.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 322 | P | 42 | Very low | 42.2 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 140.9 | 174.2 | 28.7 | -34.1 | 0 | 0 | 0 | 110.4 | | |
| 323 | A | 40.7 | Very low | 42.7 | Very low | 79 Ų | 79 | 137 Ų | 137 | 65% | 0.653 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 133.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | H325 | A323-H325 PolarHBondContact O-CD2 3.14Å; A323-H325 VanDerWaalsContact O-CD2 3.24Å; A323-H325 PolarHBondContact O-N 3.37Å |
| 324 | V | 42.7 | Very low | 42.6 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -75.2 | 106.6 | 170.6 | -74.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 325 | H | 44 | Very low | 43.1 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 73% | 0.731 | 81% | 0.81 | S | S | * | * | | | trans | -74.6 | 145.2 | 174.4 | -72 | -102.2 | 0 | 0 | 0 | 110.4 | A323 L327 | A323-H325 PolarHBondContact O-CD2 3.14Å; A323-H325 VanDerWaalsContact O-CD2 3.24Å; A323-H325 PolarHBondContact O-N 3.37Å; H325-L327 PolarHBondContact O-N 3.46Å; H325-L327 VanDerWaalsContact O-N 3.09Å |
| 326 | N | 42.4 | Very low | 44.1 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | trans | -71.1 | 104.1 | -178.4 | -62.4 | -72.3 | 0 | 0 | 0 | 110.8 | | |
| 327 | L | 53.9 | Low | 44.8 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -100.5 | 69.7 | 179.7 | -89.7 | 161.8 | 0 | 0 | 0 | 111.9 | H325 | H325-L327 PolarHBondContact O-N 3.46Å; H325-L327 VanDerWaalsContact O-N 3.09Å |
| 328 | F | 36.7 | Very low | 45.6 | Very low | 208 Ų | 208 | 151.1 Ų | 151.1 | 91% | 0.912 | 83% | 0.832 | S | S | * | * | | | trans | -150.6 | 59.9 | 164.3 | -77.5 | -61.7 | 0 | 0 | 0 | 111.4 | | |
| 329 | T | 51.5 | Low | 46.1 | Very low | 138 Ų | 138 | 153.8 Ų | 153.8 | 85% | 0.847 | 83% | 0.833 | S | S | * | * | | | trans | -137.1 | 57.1 | 164.4 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 330 | T | 47.5 | Very low | 46.5 | Very low | 108 Ų | 108 | 151.2 Ų | 151.2 | 66% | 0.663 | 83% | 0.827 | S | S | * | * | | | trans | -108.7 | 115.1 | 156.4 | -33 | 0 | 0 | 0 | 0 | 106 | E332 | T330-E332 HydrophobicContact CG2-CG 3.49Å; T330-E332 VanDerWaalsContact CG2-CG 3.49Å; T330-E332 PolarHBondContact O-N 3.29Å |
| 331 | G | 51.7 | Low | 47 | Very low | 82 Ų | 82 | 148.5 Ų | 148.5 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | | | trans | -85.5 | 97 | 164.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 332 | E | 46.5 | Very low | 47.3 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 69% | 0.692 | 83% | 0.833 | S | S | * | * | | | trans | -91.5 | 109.8 | 177.1 | -64.8 | -178 | 148.3 | 0 | 0 | 107.5 | T330 | T330-E332 HydrophobicContact CG2-CG 3.49Å; T330-E332 VanDerWaalsContact CG2-CG 3.49Å; T330-E332 PolarHBondContact O-N 3.29Å |
| 333 | D | 50.2 | Low | 47.6 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 83% | 0.829 | 84% | 0.836 | S | S | * | * | | | trans | -71.8 | 130.7 | 177.3 | -141.5 | 1.7 | 0 | 0 | 0 | 108.2 | | |
| 334 | F | 45.1 | Very low | 48.1 | Very low | 186 Ų | 186 | 159.3 Ų | 159.3 | 82% | 0.816 | 85% | 0.848 | S | S | * | * | | | trans | -100.2 | 106 | 172.7 | -85.7 | -95.6 | 0 | 0 | 0 | 107.4 | D336 | F334-D336 PolarHBondContact O-N 3.43Š|
| 335 | E | 50.6 | Low | 48.4 | Very low | 190 Ų | 190 | 160.3 Ų | 160.3 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | | | trans | -67.8 | 127.2 | 170.6 | -62.7 | -157.5 | 100 | 0 | 0 | 109.7 | | |
| 336 | D | 54.6 | Low | 48.8 | Very low | 168 Ų | 168 | 160.5 Ų | 160.5 | 90% | 0.898 | 85% | 0.854 | S | S | * | * | | | trans | -76.1 | 123.1 | 166.3 | -111.2 | -67.9 | 0 | 0 | 0 | 107.8 | F334 | F334-D336 PolarHBondContact O-N 3.43Š|
| 337 | D | 56 | Low | 49.3 | Very low | 149 Ų | 149 | 160.2 Ų | 160.2 | 80% | 0.797 | 85% | 0.852 | S | S | * | * | | | trans | -138.4 | 146.1 | 168.6 | -143.8 | -12.8 | 0 | 0 | 0 | 110.1 | | |
| 338 | L | 47.5 | Very low | 48.9 | Very low | 239 Ų | 239 | 161 Ų | 161 | 100% | 1.251 | 86% | 0.858 | S | S | * | * | | | trans | -75.8 | 0 | -149.6 | -69.5 | 109.2 | 0 | 0 | 0 | 117.7 | | |