| 1 | R | 63.4 | Low | 80.3 | Confident | 297 Ų | 297 | 127.5 Ų | 127.5 | 100% | 1.121 | 62% | 0.618 | S | S | * | * | | | | 0 | 108.2 | 0 | -168.5 | 180 | -162.1 | 160.2 | 3.9 | 105.6 | | |
| 2 | M | 65.1 | Low | 81.3 | Confident | 186 Ų | 186 | 123.4 Ų | 123.4 | 92% | 0.916 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 140.7 | 172.4 | -70.3 | 168.3 | 67.1 | 0 | 0 | 107.9 | | |
| 3 | M | 70.4 | Confident | 82.4 | Confident | 106 Ų | 106 | 123.8 Ų | 123.8 | 52% | 0.522 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -78.6 | 156.6 | 171.8 | -67.6 | -174.6 | 60.4 | 0 | 0 | 109.4 | E7 L11 | M3-E7 WeakPolarHBondContact CA-OE2 3.46Å; M3-E7 HydrophobicContact CB-CB 4.4Å; M3-E7 HydrophobicContact CE-CB 3.54Å; M3-E7 HydrophobicContact CE-CG 4.49Å; M3-L11 HydrophobicContact CE-CD1 3.66Å; M3-L11 HydrophobicContact SD-CD1 4.44Å |
| 4 | S | 83.1 | Confident | 83.4 | Confident | 62 Ų | 62 | 123.9 Ų | 123.9 | 43% | 0.434 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 144.5 | 169.3 | -169.3 | 0 | 0 | 0 | 0 | 109.2 | K6 E7 E8 | S4-K6 PolarHBondContact O-N 2.74Å; S4-K6 VanDerWaalsContact O-N 3.08Å; S4-E7 PolarHBondContact N-OE2 2.81Å; S4-E7 WeakPolarHBondContact O-CA 3.21Å; S4-E7 WeakPolarHBondContact O-CB 3.08Å; S4-E7 PolarHBondContact O-N 3.34Å; S4-E8 PolarHBondContact O-N 3.45Å; S4-E8 VanDerWaalsContact O-N 3.14Å |
| 5 | S | 78.7 | Confident | 84.2 | Confident | 72 Ų | 72 | 123.3 Ų | 123.3 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -55.3 | -31 | 176.4 | 63 | 0 | 0 | 0 | 0 | 112.3 | E7 E8 E9 | S5-E7 PolarHBondContact O-N 3.43Å; S5-E8 PolarHBondContact O-N 2.98Å; S5-E9 WeakPolarHBondContact O-CB 3.1Å; S5-E9 VanDerWaalsContact O-CG 3.25Å; S5-E9 WeakPolarHBondContact O-CG 3.48Å; S5-E9 PolarHBondContact O-N 3.15Å |
| 6 | K | 80.6 | Confident | 85 | Confident | 148 Ų | 148 | 124.1 Ų | 124.1 | 64% | 0.643 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.1 | -31 | 175.4 | -61.5 | -176.4 | 177.8 | -176.1 | 0 | 113.6 | S4 T10 | S4-K6 PolarHBondContact O-N 2.74Å; S4-K6 VanDerWaalsContact O-N 3.08Å; K6-T10 WeakPolarHBondContact O-CG2 3.41Å; K6-T10 PolarHBondContact O-N 3.44Å; K6-T10 VanDerWaalsContact O-N 3.16Å; K6-T10 PolarHBondContact O-OG1 3.21Å |
| 7 | E | 82.4 | Confident | 85.7 | Confident | 95 Ų | 95 | 120.9 Ų | 120.9 | 44% | 0.444 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.2 | -37.3 | 174.2 | -61.5 | 170.2 | 144.3 | 0 | 0 | 110 | M3 S4 S5 T10 L11 | M3-E7 WeakPolarHBondContact CA-OE2 3.46Å; M3-E7 HydrophobicContact CB-CB 4.4Å; M3-E7 HydrophobicContact CE-CB 3.54Å; M3-E7 HydrophobicContact CE-CG 4.49Å; S4-E7 PolarHBondContact N-OE2 2.81Å; S4-E7 WeakPolarHBondContact O-CA 3.21Å; S4-E7 WeakPolarHBondContact O-CB 3.08Å; S4-E7 PolarHBondContact O-N 3.34Å; S5-E7 PolarHBondContact O-N 3.43Å; E7-T10 WeakPolarHBondContact CA-OG1 3.36Å; E7-T10 PolarHBondContact O-OG1 2.85Å; E7-L11 WeakPolarHBondContact O-CG 3.3Å; E7-L11 PolarHBondContact O-N 3.23Å |
| 8 | E | 86.6 | Confident | 86.3 | Confident | 134 Ų | 134 | 122.3 Ų | 122.3 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.8 | -43.4 | 175.3 | -170.1 | 168.7 | -164.4 | 0 | 0 | 112.2 | S4 S5 T10 L11 S12 | S4-E8 PolarHBondContact O-N 3.45Å; S4-E8 VanDerWaalsContact O-N 3.14Å; S5-E8 PolarHBondContact O-N 2.98Å; E8-T10 PolarHBondContact O-N 3.29Å; E8-L11 PolarHBondContact O-N 2.94Å; E8-S12 VanDerWaalsContact O-CB 3.31Å; E8-S12 WeakPolarHBondContact O-CB 3.25Å; E8-S12 PolarHBondContact O-N 3.13Å |
| 9 | E | 89.4 | Confident | 86.9 | Confident | 127 Ų | 127 | 119.9 Ų | 119.9 | 59% | 0.593 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.4 | -43.9 | 172.7 | -76.6 | 165.2 | 178.5 | 0 | 0 | 112.1 | S5 S12 F13 | S5-E9 WeakPolarHBondContact O-CB 3.1Å; S5-E9 VanDerWaalsContact O-CG 3.25Å; S5-E9 WeakPolarHBondContact O-CG 3.48Å; S5-E9 PolarHBondContact O-N 3.15Å; E9-S12 PolarHBondContact O-N 3.14Å; E9-F13 PolarHBondContact O-N 3.43Å |
| 10 | T | 91.1 | Very high | 87.4 | Confident | 76 Ų | 76 | 116.9 Ų | 116.9 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70 | -39.1 | 179 | 45.7 | 0 | 0 | 0 | 0 | 112.5 | K6 E7 E8 F13 F14 | K6-T10 WeakPolarHBondContact O-CG2 3.41Å; K6-T10 PolarHBondContact O-N 3.44Å; K6-T10 VanDerWaalsContact O-N 3.16Å; K6-T10 PolarHBondContact O-OG1 3.21Å; E7-T10 WeakPolarHBondContact CA-OG1 3.36Å; E7-T10 PolarHBondContact O-OG1 2.85Å; E8-T10 PolarHBondContact O-N 3.29Å; T10-F13 PolarHBondContact O-N 3.01Å; T10-F14 WeakPolarHBondContact O-CD2 3.32Å; T10-F14 PolarHBondContact O-N 2.8Å |
| 11 | L | 92.9 | Very high | 87.9 | Confident | 100 Ų | 100 | 113.5 Ų | 113.5 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 172.5 | -72.3 | 174.5 | 0 | 0 | 0 | 112.3 | M3 E7 E8 F13 F14 Q15 | M3-L11 HydrophobicContact CE-CD1 3.66Å; M3-L11 HydrophobicContact SD-CD1 4.44Å; E7-L11 WeakPolarHBondContact O-CG 3.3Å; E7-L11 PolarHBondContact O-N 3.23Å; E8-L11 PolarHBondContact O-N 2.94Å; L11-F13 VanDerWaalsContact C-N 3.32Å; L11-F13 PolarHBondContact O-N 2.74Å; L11-F14 PolarHBondContact O-N 3.43Å; L11-Q15 PolarHBondContact O-N 2.81Å |
| 12 | S | 92 | Very high | 89.5 | Confident | 78 Ų | 78 | 104.2 Ų | 104.2 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.3 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | E8 E9 Q15 Y16 | E8-S12 VanDerWaalsContact O-CB 3.31Å; E8-S12 WeakPolarHBondContact O-CB 3.25Å; E8-S12 PolarHBondContact O-N 3.13Å; E9-S12 PolarHBondContact O-N 3.14Å; S12-Q15 PolarHBondContact O-N 3.43Å; S12-Y16 WeakPolarHBondContact O-CB 3.4Å; S12-Y16 PolarHBondContact O-N 3.32Å |
| 13 | F | 95.4 | Very high | 91 | Very high | 128 Ų | 128 | 100.8 Ų | 100.8 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 173.7 | 177.2 | -98.2 | 0 | 0 | 0 | 112.7 | E9 T10 L11 Y16 V17 | E9-F13 PolarHBondContact O-N 3.43Å; T10-F13 PolarHBondContact O-N 3.01Å; L11-F13 VanDerWaalsContact C-N 3.32Å; L11-F13 PolarHBondContact O-N 2.74Å; F13-Y16 PolarHBondContact O-N 2.92Å; F13-V17 HydrophobicContact CD1-CG2 4.43Å; F13-V17 HydrophobicContact CE1-CG2 3.97Å; F13-V17 HydrophobicContact CE2-CG2 4.2Å; F13-V17 HydrophobicContact CZ-CG2 3.84Å; F13-V17 WeakPolarHBondContact O-CG2 3.25Å; F13-V17 PolarHBondContact O-N 2.97Å |
| 14 | F | 96.1 | Very high | 92.2 | Very high | 125 Ų | 125 | 98.7 Ų | 98.7 | 55% | 0.548 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 177 | -72.9 | -60.6 | 0 | 0 | 0 | 112 | T10 L11 Y16 V17 E18 | T10-F14 WeakPolarHBondContact O-CD2 3.32Å; T10-F14 PolarHBondContact O-N 2.8Å; L11-F14 PolarHBondContact O-N 3.43Å; F14-Y16 VanDerWaalsContact C-N 3.35Å; F14-Y16 PolarHBondContact O-N 2.95Å; F14-V17 PolarHBondContact O-N 3.06Å; F14-E18 PolarHBondContact O-N 3.01Å |
| 15 | Q | 95.4 | Very high | 92.9 | Very high | 116 Ų | 116 | 102.4 Ų | 102.4 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 176.3 | -174.9 | 175.2 | -28.9 | 0 | 0 | 111.9 | L11 S12 V17 E18 E19 | L11-Q15 PolarHBondContact O-N 2.81Å; S12-Q15 PolarHBondContact O-N 3.43Å; Q15-V17 VanDerWaalsContact C-N 3.31Å; Q15-V17 PolarHBondContact O-N 2.8Å; Q15-E18 PolarHBondContact O-N 3.09Å; Q15-E19 HydrophobicContact CG-CG 4.35Å; Q15-E19 PolarHBondContact NE2-OE1 3.4Å; Q15-E19 WeakPolarHBondContact O-CB 3.21Å; Q15-E19 WeakPolarHBondContact O-CG 3.41Å; Q15-E19 PolarHBondContact O-N 2.94Å |
| 16 | Y | 96.6 | Very high | 93.7 | Very high | 135 Ų | 135 | 103 Ų | 103 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 174.1 | 173.1 | -94.8 | 0 | 0 | 0 | 112.5 | S12 F13 F14 N20 | S12-Y16 WeakPolarHBondContact O-CB 3.4Å; S12-Y16 PolarHBondContact O-N 3.32Å; F13-Y16 PolarHBondContact O-N 2.92Å; F14-Y16 VanDerWaalsContact C-N 3.35Å; F14-Y16 PolarHBondContact O-N 2.95Å; Y16-N20 VanDerWaalsContact CE1-ND2 3.29Å; Y16-N20 WeakPolarHBondContact CE1-ND2 3.43Å; Y16-N20 WeakPolarHBondContact O-CB 3.05Å; Y16-N20 PolarHBondContact O-N 2.95Å; Y16-N20 PolarHBondContact OH-ND2 3.26Å; Y16-N20 VanDerWaalsContact OH-ND2 3.14Å |
| 17 | V | 97.3 | Very high | 94.3 | Very high | 71 Ų | 71 | 99 Ų | 99 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -46.4 | 176.4 | 171 | 0 | 0 | 0 | 0 | 111.4 | F13 F14 Q15 N20 G21 | F13-V17 HydrophobicContact CD1-CG2 4.43Å; F13-V17 HydrophobicContact CE1-CG2 3.97Å; F13-V17 HydrophobicContact CE2-CG2 4.2Å; F13-V17 HydrophobicContact CZ-CG2 3.84Å; F13-V17 WeakPolarHBondContact O-CG2 3.25Å; F13-V17 PolarHBondContact O-N 2.97Å; F14-V17 PolarHBondContact O-N 3.06Å; Q15-V17 VanDerWaalsContact C-N 3.31Å; Q15-V17 PolarHBondContact O-N 2.8Å; V17-N20 PolarHBondContact O-N 3.34Å; V17-G21 PolarHBondContact O-N 2.6Å |
| 18 | E | 96.7 | Very high | 94.9 | Very high | 145 Ų | 145 | 99.1 Ų | 99.1 | 68% | 0.678 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.9 | -47.1 | 176.5 | -73.1 | -173.2 | 173.5 | 0 | 0 | 111.9 | F14 Q15 N20 G21 L22 | F14-E18 PolarHBondContact O-N 3.01Å; Q15-E18 PolarHBondContact O-N 3.09Å; E18-N20 PolarHBondContact O-N 3.21Å; E18-G21 PolarHBondContact O-N 3.47Å; E18-L22 WeakPolarHBondContact O-CB 3.39Å; E18-L22 PolarHBondContact O-N 2.76Å |
| 19 | E | 97.2 | Very high | 95.1 | Very high | 78 Ų | 78 | 96.6 Ų | 96.6 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 177.4 | -74.9 | -174.3 | -160.6 | 0 | 0 | 112.6 | Q15 L22 R23 | Q15-E19 HydrophobicContact CG-CG 4.35Å; Q15-E19 PolarHBondContact NE2-OE1 3.4Å; Q15-E19 WeakPolarHBondContact O-CB 3.21Å; Q15-E19 WeakPolarHBondContact O-CG 3.41Å; Q15-E19 PolarHBondContact O-N 2.94Å; E19-L22 PolarHBondContact O-N 3.41Å; E19-R23 WeakPolarHBondContact O-CB 3.48Å; E19-R23 VanDerWaalsContact O-CG 3.29Å; E19-R23 WeakPolarHBondContact O-CG 3.33Å; E19-R23 PolarHBondContact O-N 2.9Å; E19-R23 IonicContact OE2-CZ 3.44Å; E19-R23 IonicContact OE2-NH1 3.4Å; E19-R23 PolarHBondContact OE2-NH1 3.14Å; E19-R23 IonicContact OE2-NH2 3.6Å; E19-R23 PolarHBondContact OE2-NH2 2.67Å |
| 20 | N | 97.4 | Very high | 95.1 | Very high | 59 Ų | 59 | 93 Ų | 93 | 32% | 0.316 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 175.2 | -90.5 | -6.7 | 0 | 0 | 0 | 112.2 | Y16 V17 E18 L22 R23 A24 | Y16-N20 VanDerWaalsContact CE1-ND2 3.29Å; Y16-N20 WeakPolarHBondContact CE1-ND2 3.43Å; Y16-N20 WeakPolarHBondContact O-CB 3.05Å; Y16-N20 PolarHBondContact O-N 2.95Å; Y16-N20 PolarHBondContact OH-ND2 3.26Å; Y16-N20 VanDerWaalsContact OH-ND2 3.14Å; V17-N20 PolarHBondContact O-N 3.34Å; E18-N20 PolarHBondContact O-N 3.21Å; N20-L22 VanDerWaalsContact C-N 3.33Å; N20-L22 PolarHBondContact O-N 3.28Å; N20-R23 PolarHBondContact O-N 3.11Å; N20-R23 PolarHBondContact OD1-NE 3.19Å; N20-R23 VanDerWaalsContact OD1-NE 3.08Å; N20-R23 PolarHBondContact OD1-NH2 2.68Å; N20-A24 WeakPolarHBondContact O-CB 3.45Å; N20-A24 PolarHBondContact O-N 3.02Å |
| 21 | G | 97.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 95.6 Ų | 95.6 | 46% | 0.464 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V17 E18 A24 Y25 | V17-G21 PolarHBondContact O-N 2.6Å; E18-G21 PolarHBondContact O-N 3.47Å; G21-A24 PolarHBondContact O-N 2.65Å; G21-Y25 WeakPolarHBondContact O-CB 3.4Å; G21-Y25 PolarHBondContact O-N 3.08Å |
| 22 | L | 97.6 | Very high | 94.5 | Very high | 103 Ų | 103 | 95 Ų | 95 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 178.1 | -172.4 | 60.8 | 0 | 0 | 0 | 112.5 | E18 E19 N20 Y25 N26 | E18-L22 WeakPolarHBondContact O-CB 3.39Å; E18-L22 PolarHBondContact O-N 2.76Å; E19-L22 PolarHBondContact O-N 3.41Å; N20-L22 VanDerWaalsContact C-N 3.33Å; N20-L22 PolarHBondContact O-N 3.28Å; L22-Y25 PolarHBondContact O-N 2.9Å; L22-N26 WeakPolarHBondContact O-CB 3.39Å; L22-N26 VanDerWaalsContact O-CG 3.29Å; L22-N26 PolarHBondContact O-N 3.48Å; L22-N26 PolarHBondContact O-ND2 3.33Å; L22-N26 VanDerWaalsContact O-ND2 3.12Å |
| 23 | R | 96.3 | Very high | 94.1 | Very high | 113 Ų | 113 | 97.5 Ų | 97.5 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 173.4 | -78.5 | -175.9 | -78.6 | -97.6 | 2.2 | 111.9 | E19 N20 S27 | E19-R23 WeakPolarHBondContact O-CB 3.48Å; E19-R23 VanDerWaalsContact O-CG 3.29Å; E19-R23 WeakPolarHBondContact O-CG 3.33Å; E19-R23 PolarHBondContact O-N 2.9Å; E19-R23 IonicContact OE2-CZ 3.44Å; E19-R23 IonicContact OE2-NH1 3.4Å; E19-R23 PolarHBondContact OE2-NH1 3.14Å; E19-R23 IonicContact OE2-NH2 3.6Å; E19-R23 PolarHBondContact OE2-NH2 2.67Å; N20-R23 PolarHBondContact O-N 3.11Å; N20-R23 PolarHBondContact OD1-NE 3.19Å; N20-R23 VanDerWaalsContact OD1-NE 3.08Å; N20-R23 PolarHBondContact OD1-NH2 2.68Å; R23-S27 WeakPolarHBondContact O-CB 3.4Å; R23-S27 PolarHBondContact O-N 3.1Å; R23-S27 VanDerWaalsContact O-N 3.14Å; R23-S27 PolarHBondContact O-OG 3.06Å |
| 24 | A | 96.7 | Very high | 93.4 | Very high | 62 Ų | 62 | 95.1 Ų | 95.1 | 51% | 0.512 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N20 G21 S27 L28 | N20-A24 WeakPolarHBondContact O-CB 3.45Å; N20-A24 PolarHBondContact O-N 3.02Å; G21-A24 PolarHBondContact O-N 2.65Å; A24-S27 WeakPolarHBondContact O-CB 3.29Å; A24-S27 PolarHBondContact O-N 3.28Å; A24-L28 PolarHBondContact O-N 3.25Å |
| 25 | Y | 96.6 | Very high | 92.8 | Very high | 140 Ų | 140 | 95.1 Ų | 95.1 | 55% | 0.549 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 177.4 | 176.2 | -107.8 | 0 | 0 | 0 | 112.6 | G21 L22 S27 L28 L29 | G21-Y25 WeakPolarHBondContact O-CB 3.4Å; G21-Y25 PolarHBondContact O-N 3.08Å; L22-Y25 PolarHBondContact O-N 2.9Å; Y25-S27 VanDerWaalsContact C-N 3.29Å; Y25-S27 PolarHBondContact O-N 3.04Å; Y25-L28 PolarHBondContact O-N 3.36Å; Y25-L29 HydrophobicContact CD1-CD1 4.07Å; Y25-L29 HydrophobicContact CE1-CD1 3.43Å; Y25-L29 VanDerWaalsContact CE1-CD1 3.43Å; Y25-L29 HydrophobicContact CE1-CG 4.47Å; Y25-L29 HydrophobicContact CE2-CD1 4.38Å; Y25-L29 PolarHBondContact O-N 3.44Å |
| 26 | N | 95.4 | Very high | 92 | Very high | 84 Ų | 84 | 92.8 Ų | 92.8 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 177.6 | -74.8 | -32.5 | 0 | 0 | 0 | 112.3 | L22 L29 A30 | L22-N26 WeakPolarHBondContact O-CB 3.39Å; L22-N26 VanDerWaalsContact O-CG 3.29Å; L22-N26 PolarHBondContact O-N 3.48Å; L22-N26 PolarHBondContact O-ND2 3.33Å; L22-N26 VanDerWaalsContact O-ND2 3.12Å; N26-L29 WeakPolarHBondContact O-CB 3.4Å; N26-L29 PolarHBondContact O-N 2.85Å; N26-A30 PolarHBondContact O-N 3.03Å |
| 27 | S | 93.2 | Very high | 91.5 | Very high | 66 Ų | 66 | 93.4 Ų | 93.4 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.5 | -60 | 0 | 0 | 0 | 0 | 111.8 | R23 A24 Y25 A30 Q31 | R23-S27 WeakPolarHBondContact O-CB 3.4Å; R23-S27 PolarHBondContact O-N 3.1Å; R23-S27 VanDerWaalsContact O-N 3.14Å; R23-S27 PolarHBondContact O-OG 3.06Å; A24-S27 WeakPolarHBondContact O-CB 3.29Å; A24-S27 PolarHBondContact O-N 3.28Å; Y25-S27 VanDerWaalsContact C-N 3.29Å; Y25-S27 PolarHBondContact O-N 3.04Å; S27-A30 PolarHBondContact O-N 3.33Å; S27-Q31 WeakPolarHBondContact O-CG 3.37Å; S27-Q31 PolarHBondContact O-N 3.16Å |
| 28 | L | 94.3 | Very high | 90.8 | Very high | 96 Ų | 96 | 94.5 Ų | 94.5 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 174.1 | -177.8 | 61.7 | 0 | 0 | 0 | 112 | A24 Y25 Q31 N32 | A24-L28 PolarHBondContact O-N 3.25Å; Y25-L28 PolarHBondContact O-N 3.36Å; L28-Q31 PolarHBondContact O-N 3.47Å; L28-N32 WeakPolarHBondContact CD1-ND2 3.41Å; L28-N32 PolarHBondContact O-N 2.97Å; L28-N32 PolarHBondContact O-ND2 3.14Å |
| 29 | L | 92.8 | Very high | 90.4 | Very high | 81 Ų | 81 | 92.8 Ų | 92.8 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 174.2 | -103 | 168.7 | 0 | 0 | 0 | 112 | Y25 N26 N32 L33 | Y25-L29 HydrophobicContact CD1-CD1 4.07Å; Y25-L29 HydrophobicContact CE1-CD1 3.43Å; Y25-L29 VanDerWaalsContact CE1-CD1 3.43Å; Y25-L29 HydrophobicContact CE1-CG 4.47Å; Y25-L29 HydrophobicContact CE2-CD1 4.38Å; Y25-L29 PolarHBondContact O-N 3.44Å; N26-L29 WeakPolarHBondContact O-CB 3.4Å; N26-L29 PolarHBondContact O-N 2.85Å; L29-N32 PolarHBondContact O-N 2.83Å; L29-L33 PolarHBondContact O-N 3.5Å |
| 30 | A | 88.1 | Confident | 89.9 | Confident | 52 Ų | 52 | 96.3 Ų | 96.3 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N26 S27 N32 L33 D34 | N26-A30 PolarHBondContact O-N 3.03Å; S27-A30 PolarHBondContact O-N 3.33Å; A30-N32 VanDerWaalsContact C-N 3.35Å; A30-N32 PolarHBondContact O-N 3.29Å; A30-L33 PolarHBondContact O-N 2.87Å; A30-L33 VanDerWaalsContact O-N 3.17Å; A30-D34 PolarHBondContact O-N 3.08Å |
| 31 | Q | 88 | Confident | 89.6 | Confident | 130 Ų | 130 | 97.6 Ų | 97.6 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59 | -41.3 | 176.8 | -73.4 | 175.6 | 3.8 | 0 | 0 | 112.8 | S27 L28 H35 | S27-Q31 WeakPolarHBondContact O-CG 3.37Å; S27-Q31 PolarHBondContact O-N 3.16Å; L28-Q31 PolarHBondContact O-N 3.47Å; Q31-H35 VanDerWaalsContact O-CB 3.23Å; Q31-H35 WeakPolarHBondContact O-CB 3.38Å; Q31-H35 PolarHBondContact O-N 2.78Å |
| 32 | N | 83.8 | Confident | 89.2 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 176.2 | -84 | -83.2 | 0 | 0 | 0 | 112.3 | L28 L29 A30 H35 T36 | L28-N32 WeakPolarHBondContact CD1-ND2 3.41Å; L28-N32 PolarHBondContact O-N 2.97Å; L28-N32 PolarHBondContact O-ND2 3.14Å; L29-N32 PolarHBondContact O-N 2.83Å; A30-N32 VanDerWaalsContact C-N 3.35Å; A30-N32 PolarHBondContact O-N 3.29Å; N32-H35 PolarHBondContact O-N 3.35Å; N32-T36 WeakPolarHBondContact O-CB 3.42Å; N32-T36 PolarHBondContact O-N 3.15Å; N32-T36 PolarHBondContact O-OG1 3.14Å |
| 33 | L | 83.2 | Confident | 88.8 | Confident | 130 Ų | 130 | 102.3 Ų | 102.3 | 68% | 0.681 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.1 | -45.7 | 178 | -141.8 | 73.9 | 0 | 0 | 0 | 111.4 | L29 A30 R37 | L29-L33 PolarHBondContact O-N 3.5Å; A30-L33 PolarHBondContact O-N 2.87Å; A30-L33 VanDerWaalsContact O-N 3.17Å; L33-R37 WeakPolarHBondContact O-CB 3.31Å; L33-R37 PolarHBondContact O-N 2.94Å |
| 34 | D | 80.6 | Confident | 88.6 | Confident | 78 Ų | 78 | 103.2 Ų | 103.2 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.4 | -34.9 | 176.5 | -82.7 | -35.4 | 0 | 0 | 0 | 112.7 | A30 R37 N38 | A30-D34 PolarHBondContact O-N 3.08Å; D34-R37 PolarHBondContact O-N 3.06Å; D34-R37 IonicContact OD1-NH1 3.88Å; D34-N38 VanDerWaalsContact O-CB 3.23Å; D34-N38 WeakPolarHBondContact O-CB 3.35Å; D34-N38 PolarHBondContact O-N 3.37Å; D34-N38 PolarHBondContact O-ND2 3.27Å; D34-N38 VanDerWaalsContact O-ND2 3.13Å |
| 35 | H | 83.4 | Confident | 88.4 | Confident | 126 Ų | 126 | 104.7 Ų | 104.7 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.7 | -51.4 | 171.7 | -172.8 | 84.2 | 0 | 0 | 0 | 110.9 | Q31 N32 R37 N38 E39 | Q31-H35 VanDerWaalsContact O-CB 3.23Å; Q31-H35 WeakPolarHBondContact O-CB 3.38Å; Q31-H35 PolarHBondContact O-N 2.78Å; N32-H35 PolarHBondContact O-N 3.35Å; H35-R37 PolarHBondContact O-N 2.91Å; H35-N38 PolarHBondContact O-N 3.48Å; H35-N38 VanDerWaalsContact O-N 3.14Å; H35-E39 WeakPolarHBondContact O-CB 3.43Å; H35-E39 PolarHBondContact O-N 3.32Å |
| 36 | T | 79.8 | Confident | 88.1 | Confident | 66 Ų | 66 | 103.7 Ų | 103.7 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -29.6 | 178 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | N32 R40 | N32-T36 WeakPolarHBondContact O-CB 3.42Å; N32-T36 PolarHBondContact O-N 3.15Å; N32-T36 PolarHBondContact O-OG1 3.14Å; T36-R40 PolarHBondContact O-NE 3.47Å; T36-R40 PolarHBondContact O-NH2 2.98Å |
| 37 | R | 84.6 | Confident | 87.9 | Confident | 148 Ų | 148 | 104.2 Ų | 104.2 | 56% | 0.558 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75 | -45.6 | 173.7 | -178.1 | -176.6 | -177.4 | -175.5 | 0.8 | 111.8 | L33 D34 H35 R40 N41 | L33-R37 WeakPolarHBondContact O-CB 3.31Å; L33-R37 PolarHBondContact O-N 2.94Å; D34-R37 PolarHBondContact O-N 3.06Å; D34-R37 IonicContact OD1-NH1 3.88Å; H35-R37 PolarHBondContact O-N 2.91Å; R37-R40 PolarHBondContact O-N 3.45Å; R37-N41 PolarHBondContact O-N 3.02Å; R37-N41 PolarHBondContact O-ND2 3.44Å |
| 38 | N | 84.1 | Confident | 88 | Confident | 94 Ų | 94 | 107 Ų | 107 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.8 | -33.2 | -176.4 | -70.8 | -26.5 | 0 | 0 | 0 | 112.3 | D34 H35 N41 R42 | D34-N38 VanDerWaalsContact O-CB 3.23Å; D34-N38 WeakPolarHBondContact O-CB 3.35Å; D34-N38 PolarHBondContact O-N 3.37Å; D34-N38 PolarHBondContact O-ND2 3.27Å; D34-N38 VanDerWaalsContact O-ND2 3.13Å; H35-N38 PolarHBondContact O-N 3.48Å; H35-N38 VanDerWaalsContact O-N 3.14Å; N38-N41 PolarHBondContact O-N 2.93Å; N38-R42 VanDerWaalsContact O-CB 3.31Å; N38-R42 WeakPolarHBondContact O-CB 3.48Å; N38-R42 PolarHBondContact O-N 2.92Å |
| 39 | E | 86.9 | Confident | 87.9 | Confident | 110 Ų | 110 | 106.8 Ų | 106.8 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 169.9 | -172.7 | -176 | -152.3 | 0 | 0 | 111.6 | H35 N41 R42 T43 | H35-E39 WeakPolarHBondContact O-CB 3.43Å; H35-E39 PolarHBondContact O-N 3.32Å; E39-N41 VanDerWaalsContact C-N 3.32Å; E39-N41 PolarHBondContact O-N 3.4Å; E39-R42 WeakPolarHBondContact O-CB 3.47Å; E39-R42 PolarHBondContact O-N 2.89Å; E39-R42 VanDerWaalsContact O-N 3.09Å; E39-T43 PolarHBondContact O-N 3.45Å; E39-T43 PolarHBondContact O-OG1 3.45Å |
| 40 | R | 87.6 | Confident | 88 | Confident | 152 Ų | 152 | 105.9 Ų | 105.9 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -36.8 | 175.8 | -76.9 | 178.8 | -73.8 | 152 | -6.1 | 112.9 | T36 R37 T43 F44 | T36-R40 PolarHBondContact O-NE 3.47Å; T36-R40 PolarHBondContact O-NH2 2.98Å; R37-R40 PolarHBondContact O-N 3.45Å; R40-T43 PolarHBondContact O-OG1 2.89Å; R40-F44 WeakPolarHBondContact O-CB 3.5Å; R40-F44 PolarHBondContact O-N 3.39Å; R40-F44 VanDerWaalsContact O-N 3.13Å |
| 41 | N | 90 | Very high | 88.2 | Confident | 86 Ų | 86 | 108.9 Ų | 108.9 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 171.8 | -70.6 | -28.9 | 0 | 0 | 0 | 111.9 | R37 N38 E39 L45 | R37-N41 PolarHBondContact O-N 3.02Å; R37-N41 PolarHBondContact O-ND2 3.44Å; N38-N41 PolarHBondContact O-N 2.93Å; E39-N41 VanDerWaalsContact C-N 3.32Å; E39-N41 PolarHBondContact O-N 3.4Å; N41-L45 WeakPolarHBondContact O-CB 3.2Å; N41-L45 PolarHBondContact O-N 3.18Å |
| 42 | R | 89.9 | Confident | 88.5 | Confident | 176 Ų | 176 | 108.6 Ų | 108.6 | 66% | 0.664 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -44.2 | 179.1 | -176.4 | 177.5 | 179.8 | -87.8 | 2 | 112 | N38 E39 L45 Q46 | N38-R42 VanDerWaalsContact O-CB 3.31Å; N38-R42 WeakPolarHBondContact O-CB 3.48Å; N38-R42 PolarHBondContact O-N 2.92Å; E39-R42 WeakPolarHBondContact O-CB 3.47Å; E39-R42 PolarHBondContact O-N 2.89Å; E39-R42 VanDerWaalsContact O-N 3.09Å; R42-L45 PolarHBondContact O-N 3.33Å; R42-Q46 WeakPolarHBondContact O-CB 3.41Å; R42-Q46 PolarHBondContact O-N 2.94Å |
| 43 | T | 90.4 | Very high | 88.8 | Confident | 70 Ų | 70 | 109.7 Ų | 109.7 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 177 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | E39 R40 L45 Q46 E47 | E39-T43 PolarHBondContact O-N 3.45Å; E39-T43 PolarHBondContact O-OG1 3.45Å; R40-T43 PolarHBondContact O-OG1 2.89Å; T43-L45 PolarHBondContact O-N 2.91Å; T43-Q46 PolarHBondContact O-N 2.95Å; T43-E47 WeakPolarHBondContact O-CB 3.38Å; T43-E47 PolarHBondContact O-N 3.28Å |
| 44 | F | 91.8 | Very high | 89.2 | Confident | 133 Ų | 133 | 109.2 Ų | 109.2 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.2 | -44.2 | 172.3 | 175.8 | -104.5 | 0 | 0 | 0 | 112.6 | R40 E47 K48 | R40-F44 WeakPolarHBondContact O-CB 3.5Å; R40-F44 PolarHBondContact O-N 3.39Å; R40-F44 VanDerWaalsContact O-N 3.13Å; F44-E47 PolarHBondContact O-N 3.3Å; F44-K48 WeakPolarHBondContact O-CB 3.29Å; F44-K48 PolarHBondContact O-N 3.25Å |
| 45 | L | 91 | Very high | 89.7 | Confident | 93 Ų | 93 | 111.6 Ų | 111.6 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.7 | -36.6 | 177.8 | -174.5 | 59.9 | 0 | 0 | 0 | 112.1 | N41 R42 T43 K48 N49 | N41-L45 WeakPolarHBondContact O-CB 3.2Å; N41-L45 PolarHBondContact O-N 3.18Å; R42-L45 PolarHBondContact O-N 3.33Å; T43-L45 PolarHBondContact O-N 2.91Å; L45-K48 HydrophobicContact CD1-CD 4.45Å; L45-K48 PolarHBondContact O-N 2.91Å; L45-N49 WeakPolarHBondContact O-CB 3.35Å; L45-N49 VanDerWaalsContact O-CG 3.22Å; L45-N49 PolarHBondContact O-N 3.17Å; L45-N49 PolarHBondContact O-ND2 3.25Å |
| 46 | Q | 90.8 | Very high | 89.9 | Confident | 118 Ų | 118 | 109.3 Ų | 109.3 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 172.7 | -174.9 | 176.1 | -0.7 | 0 | 0 | 111.6 | R42 T43 N49 E50 | R42-Q46 WeakPolarHBondContact O-CB 3.41Å; R42-Q46 PolarHBondContact O-N 2.94Å; T43-Q46 PolarHBondContact O-N 2.95Å; Q46-N49 PolarHBondContact O-N 3.41Å; Q46-E50 WeakPolarHBondContact O-CB 3.41Å; Q46-E50 PolarHBondContact O-N 3.44Å |
| 47 | E | 91.8 | Very high | 90.2 | Very high | 95 Ų | 95 | 110.7 Ų | 110.7 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 176.8 | -160.3 | -142.4 | -169.3 | 0 | 0 | 111.8 | T43 F44 E50 K51 | T43-E47 WeakPolarHBondContact O-CB 3.38Å; T43-E47 PolarHBondContact O-N 3.28Å; F44-E47 PolarHBondContact O-N 3.3Å; E47-E50 PolarHBondContact O-N 3.49Å; E47-K51 WeakPolarHBondContact O-CB 3.34Å; E47-K51 WeakPolarHBondContact O-CG 3.49Å; E47-K51 PolarHBondContact O-N 3.43Å; E47-K51 WeakPolarHBondContact OE1-CE 3.37Å; E47-K51 IonicContact OE1-NZ 3.78Å; E47-K51 PolarHBondContact OE1-NZ 3.49Å; E47-K51 IonicContact OE2-NZ 2.69Å; E47-K51 PolarHBondContact OE2-NZ 2.9Å |
| 48 | K | 94.9 | Very high | 90.4 | Very high | 126 Ų | 126 | 106 Ų | 106 | 55% | 0.548 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 172.8 | -177.8 | -179.8 | 177.8 | -178.1 | 0 | 111.9 | F44 L45 K51 K52 | F44-K48 WeakPolarHBondContact O-CB 3.29Å; F44-K48 PolarHBondContact O-N 3.25Å; L45-K48 HydrophobicContact CD1-CD 4.45Å; L45-K48 PolarHBondContact O-N 2.91Å; K48-K51 PolarHBondContact O-N 2.91Å; K48-K52 PolarHBondContact O-N 2.71Å |
| 49 | N | 93.2 | Very high | 90.5 | Very high | 90 Ų | 90 | 106.6 Ų | 106.6 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.3 | -36.6 | 178.1 | -72.5 | -19.5 | 0 | 0 | 0 | 112.2 | L45 Q46 K52 R53 | L45-N49 WeakPolarHBondContact O-CB 3.35Å; L45-N49 VanDerWaalsContact O-CG 3.22Å; L45-N49 PolarHBondContact O-N 3.17Å; L45-N49 PolarHBondContact O-ND2 3.25Å; Q46-N49 PolarHBondContact O-N 3.41Å; N49-K52 WeakPolarHBondContact O-CB 3.5Å; N49-K52 PolarHBondContact O-N 3.39Å; N49-R53 WeakPolarHBondContact O-CB 3.43Å; N49-R53 PolarHBondContact O-N 3.38Å |
| 50 | E | 94.1 | Very high | 90.3 | Very high | 62 Ų | 62 | 107.2 Ų | 107.2 | 29% | 0.29 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 174.2 | 175.2 | 58.6 | -169 | 0 | 0 | 112.1 | Q46 E47 R53 K54 | Q46-E50 WeakPolarHBondContact O-CB 3.41Å; Q46-E50 PolarHBondContact O-N 3.44Å; E47-E50 PolarHBondContact O-N 3.49Å; E50-R53 PolarHBondContact O-N 2.69Å; E50-R53 IonicContact OE1-CZ 2.76Å; E50-R53 IonicContact OE1-NE 2.69Å; E50-R53 IonicContact OE1-NH2 3.92Å; E50-R53 PolarHBondContact OE1-NH2 3.49Å; E50-R53 IonicContact OE2-CZ 3.44Å; E50-R53 IonicContact OE2-NE 3.82Å; E50-R53 PolarHBondContact OE2-NE 2.94Å; E50-R53 IonicContact OE2-NH2 3.55Å; E50-R53 PolarHBondContact OE2-NH2 2.84Å; E50-R53 VanDerWaalsContact OE2-NH2 3.15Å; E50-K54 HydrophobicContact CG-CD 4.42Å; E50-K54 WeakPolarHBondContact O-CB 3.23Å; E50-K54 PolarHBondContact O-N 3.08Å; E50-K54 WeakPolarHBondContact OE1-CE 3.42Å; E50-K54 IonicContact OE1-NZ 3.55Å; E50-K54 PolarHBondContact OE1-NZ 2.75Å |
| 51 | K | 93.3 | Very high | 89.9 | Confident | 115 Ų | 115 | 102.4 Ų | 102.4 | 50% | 0.5 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 170.8 | -74.7 | 167.7 | 179.3 | 169.5 | 0 | 111.4 | E47 K48 K54 Q55 | E47-K51 WeakPolarHBondContact O-CB 3.34Å; E47-K51 WeakPolarHBondContact O-CG 3.49Å; E47-K51 PolarHBondContact O-N 3.43Å; E47-K51 WeakPolarHBondContact OE1-CE 3.37Å; E47-K51 IonicContact OE1-NZ 3.78Å; E47-K51 PolarHBondContact OE1-NZ 3.49Å; E47-K51 IonicContact OE2-NZ 2.69Å; E47-K51 PolarHBondContact OE2-NZ 2.9Å; K48-K51 PolarHBondContact O-N 2.91Å; K51-K54 PolarHBondContact O-N 2.99Å; K51-Q55 PolarHBondContact O-N 3.26Å |
| 52 | K | 92.8 | Very high | 89.5 | Confident | 124 Ų | 124 | 102.8 Ų | 102.8 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 172.4 | -173.3 | -159.8 | 168.6 | -162.5 | 0 | 111.2 | K48 N49 K54 Q55 E56 | K48-K52 PolarHBondContact O-N 2.71Å; N49-K52 WeakPolarHBondContact O-CB 3.5Å; N49-K52 PolarHBondContact O-N 3.39Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.25Å; K52-Q55 PolarHBondContact O-N 3.39Å; K52-Q55 VanDerWaalsContact O-N 3.16Å; K52-E56 IonicContact NZ-OE2 2.68Å; K52-E56 WeakPolarHBondContact O-CB 3.31Å; K52-E56 PolarHBondContact O-N 2.95Å |
| 53 | R | 90.5 | Very high | 88.9 | Confident | 111 Ų | 111 | 100.8 Ų | 100.8 | 42% | 0.419 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 179.9 | -167.5 | -174.8 | 69.2 | 71.1 | 8.5 | 111.1 | N49 E50 E56 E57 | N49-R53 WeakPolarHBondContact O-CB 3.43Å; N49-R53 PolarHBondContact O-N 3.38Å; E50-R53 PolarHBondContact O-N 2.69Å; E50-R53 IonicContact OE1-CZ 2.76Å; E50-R53 IonicContact OE1-NE 2.69Å; E50-R53 IonicContact OE1-NH2 3.92Å; E50-R53 PolarHBondContact OE1-NH2 3.49Å; E50-R53 IonicContact OE2-CZ 3.44Å; E50-R53 IonicContact OE2-NE 3.82Å; E50-R53 PolarHBondContact OE2-NE 2.94Å; E50-R53 IonicContact OE2-NH2 3.55Å; E50-R53 PolarHBondContact OE2-NH2 2.84Å; E50-R53 VanDerWaalsContact OE2-NH2 3.15Å; R53-E56 PolarHBondContact O-N 3.07Å; R53-E57 IonicContact CZ-OE2 2.76Å; R53-E57 IonicContact NH1-OE2 3.13Å; R53-E57 PolarHBondContact NH1-OE2 3.44Å; R53-E57 IonicContact NH2-OE2 2.76Å; R53-E57 VanDerWaalsContact O-CB 3.24Å; R53-E57 WeakPolarHBondContact O-CB 3.34Å; R53-E57 PolarHBondContact O-N 3.14Å |
| 54 | K | 91.6 | Very high | 88 | Confident | 120 Ų | 120 | 101.2 Ų | 101.2 | 52% | 0.522 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 175.7 | -79.7 | 169.2 | 163.1 | 135.7 | 0 | 113.6 | E50 K51 K52 E57 A58 | E50-K54 HydrophobicContact CG-CD 4.42Å; E50-K54 WeakPolarHBondContact O-CB 3.23Å; E50-K54 PolarHBondContact O-N 3.08Å; E50-K54 WeakPolarHBondContact OE1-CE 3.42Å; E50-K54 IonicContact OE1-NZ 3.55Å; E50-K54 PolarHBondContact OE1-NZ 2.75Å; K51-K54 PolarHBondContact O-N 2.99Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.25Å; K54-E57 PolarHBondContact O-N 3.39Å; K54-A58 WeakPolarHBondContact O-CB 3.34Å; K54-A58 PolarHBondContact O-N 2.76Å |
| 55 | Q | 90.5 | Very high | 86.7 | Confident | 128 Ų | 128 | 100.3 Ų | 100.3 | 60% | 0.598 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.5 | -43.9 | 173.5 | -173.5 | -177.6 | 3.4 | 0 | 0 | 111.6 | K51 K52 E57 A58 I59 | K51-Q55 PolarHBondContact O-N 3.26Å; K52-Q55 PolarHBondContact O-N 3.39Å; K52-Q55 VanDerWaalsContact O-N 3.16Å; Q55-E57 VanDerWaalsContact C-N 3.32Å; Q55-E57 PolarHBondContact O-N 2.84Å; Q55-A58 PolarHBondContact O-N 3.38Å; Q55-I59 HydrophobicContact CG-CD1 4.03Å; Q55-I59 VanDerWaalsContact O-CG1 3.26Å; Q55-I59 WeakPolarHBondContact O-CG1 3.23Å; Q55-I59 PolarHBondContact O-N 3.06Å |
| 56 | E | 88.6 | Confident | 85.2 | Confident | 78 Ų | 78 | 99.4 Ų | 99.4 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -32.2 | 177.5 | -161.4 | -170 | 103.3 | 0 | 0 | 112.1 | K52 R53 R60 | K52-E56 IonicContact NZ-OE2 2.68Å; K52-E56 WeakPolarHBondContact O-CB 3.31Å; K52-E56 PolarHBondContact O-N 2.95Å; R53-E56 PolarHBondContact O-N 3.07Å; E56-R60 WeakPolarHBondContact O-CB 3.14Å; E56-R60 WeakPolarHBondContact O-CG 3.38Å; E56-R60 PolarHBondContact O-N 2.82Å; E56-R60 VanDerWaalsContact O-N 3.08Å; E56-R60 PolarHBondContact O-NE 3.39Å; E56-R60 IonicContact OE1-CZ 3.15Å; E56-R60 IonicContact OE1-NH1 2.83Å; E56-R60 PolarHBondContact OE1-NH1 2.97Å; E56-R60 IonicContact OE1-NH2 3.37Å; E56-R60 PolarHBondContact OE1-NH2 3.49Å |
| 57 | E | 86.7 | Confident | 83.7 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.3 | -44.4 | 171.9 | -167.3 | 170.2 | 173.8 | 0 | 0 | 111.7 | R53 K54 Q55 R60 S61 | R53-E57 IonicContact CZ-OE2 2.76Å; R53-E57 IonicContact NH1-OE2 3.13Å; R53-E57 PolarHBondContact NH1-OE2 3.44Å; R53-E57 IonicContact NH2-OE2 2.76Å; R53-E57 VanDerWaalsContact O-CB 3.24Å; R53-E57 WeakPolarHBondContact O-CB 3.34Å; R53-E57 PolarHBondContact O-N 3.14Å; K54-E57 PolarHBondContact O-N 3.39Å; Q55-E57 VanDerWaalsContact C-N 3.32Å; Q55-E57 PolarHBondContact O-N 2.84Å; E57-R60 CarbonylContact O-C 3.6Å; E57-R60 WeakPolarHBondContact O-CB 3.48Å; E57-R60 PolarHBondContact O-N 2.98Å; E57-S61 PolarHBondContact O-N 3.12Å |
| 58 | A | 87.5 | Confident | 82.1 | Confident | 48 Ų | 48 | 104.9 Ų | 104.9 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K54 Q55 R60 S61 V62 | K54-A58 WeakPolarHBondContact O-CB 3.34Å; K54-A58 PolarHBondContact O-N 2.76Å; Q55-A58 PolarHBondContact O-N 3.38Å; A58-R60 VanDerWaalsContact C-N 3.3Å; A58-R60 PolarHBondContact O-N 2.93Å; A58-S61 PolarHBondContact O-N 2.86Å; A58-S61 PolarHBondContact O-OG 2.84Å; A58-S61 VanDerWaalsContact O-OG 3.04Å; A58-V62 WeakPolarHBondContact O-CG2 3.4Å; A58-V62 PolarHBondContact O-N 3.49Å |
| 59 | I | 86.3 | Confident | 80.3 | Confident | 108 Ų | 108 | 103.2 Ų | 103.2 | 55% | 0.554 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.2 | -36.7 | 172.7 | -69.3 | 164.8 | 0 | 0 | 0 | 110.4 | Q55 K63 | Q55-I59 HydrophobicContact CG-CD1 4.03Å; Q55-I59 VanDerWaalsContact O-CG1 3.26Å; Q55-I59 WeakPolarHBondContact O-CG1 3.23Å; Q55-I59 PolarHBondContact O-N 3.06Å; I59-K63 WeakPolarHBondContact O-CB 3.48Å; I59-K63 PolarHBondContact O-N 3.43Å; I59-K63 VanDerWaalsContact O-N 3.09Å |
| 60 | R | 83.3 | Confident | 78.4 | Confident | 122 Ų | 122 | 101.7 Ų | 101.7 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 173.1 | -81.4 | -179.7 | -69.7 | -128 | -8.8 | 112.7 | E56 E57 A58 K63 T64 | E56-R60 WeakPolarHBondContact O-CB 3.14Å; E56-R60 WeakPolarHBondContact O-CG 3.38Å; E56-R60 PolarHBondContact O-N 2.82Å; E56-R60 VanDerWaalsContact O-N 3.08Å; E56-R60 PolarHBondContact O-NE 3.39Å; E56-R60 IonicContact OE1-CZ 3.15Å; E56-R60 IonicContact OE1-NH1 2.83Å; E56-R60 PolarHBondContact OE1-NH1 2.97Å; E56-R60 IonicContact OE1-NH2 3.37Å; E56-R60 PolarHBondContact OE1-NH2 3.49Å; E57-R60 CarbonylContact O-C 3.6Å; E57-R60 WeakPolarHBondContact O-CB 3.48Å; E57-R60 PolarHBondContact O-N 2.98Å; A58-R60 VanDerWaalsContact C-N 3.3Å; A58-R60 PolarHBondContact O-N 2.93Å; R60-K63 PolarHBondContact O-N 3.05Å; R60-T64 WeakPolarHBondContact O-CB 3.48Å; R60-T64 PolarHBondContact O-N 2.72Å; R60-T64 PolarHBondContact O-OG1 2.97Å |
| 61 | S | 79.6 | Confident | 76.3 | Confident | 51 Ų | 51 | 106.3 Ų | 106.3 | 36% | 0.357 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 178.9 | 69.8 | 0 | 0 | 0 | 0 | 111 | E57 A58 K63 T64 E65 | E57-S61 PolarHBondContact O-N 3.12Å; A58-S61 PolarHBondContact O-N 2.86Å; A58-S61 PolarHBondContact O-OG 2.84Å; A58-S61 VanDerWaalsContact O-OG 3.04Å; S61-K63 VanDerWaalsContact C-N 3.29Å; S61-K63 PolarHBondContact O-N 3.43Å; S61-T64 PolarHBondContact O-N 2.98Å; S61-E65 WeakPolarHBondContact O-CB 3.13Å; S61-E65 WeakPolarHBondContact O-CG 3.38Å; S61-E65 PolarHBondContact O-N 3.17Å |
| 62 | V | 80.3 | Confident | 74.1 | Confident | 94 Ų | 94 | 108.1 Ų | 108.1 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.3 | -40.7 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | A58 S66 | A58-V62 WeakPolarHBondContact O-CG2 3.4Å; A58-V62 PolarHBondContact O-N 3.49Å; V62-S66 WeakPolarHBondContact O-CB 3.48Å; V62-S66 PolarHBondContact O-N 3.39Å; V62-S66 PolarHBondContact O-OG 3.02Å |
| 63 | K | 77.2 | Confident | 72.1 | Confident | 134 Ų | 134 | 108.3 Ų | 108.3 | 58% | 0.583 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.6 | -40.1 | 175.1 | -173.3 | 173.6 | -179.6 | 179 | 0 | 112.4 | I59 R60 S61 S66 F67 | I59-K63 WeakPolarHBondContact O-CB 3.48Å; I59-K63 PolarHBondContact O-N 3.43Å; I59-K63 VanDerWaalsContact O-N 3.09Å; R60-K63 PolarHBondContact O-N 3.05Å; S61-K63 VanDerWaalsContact C-N 3.29Å; S61-K63 PolarHBondContact O-N 3.43Å; K63-S66 WeakPolarHBondContact CA-OG 3.29Å; K63-S66 PolarHBondContact O-N 3.32Å; K63-S66 PolarHBondContact O-OG 3.23Å; K63-F67 HydrophobicContact CG-CD2 4.4Å; K63-F67 WeakPolarHBondContact O-CD2 3.44Å; K63-F67 PolarHBondContact O-N 3.47Å; K63-F67 VanDerWaalsContact O-N 3.15Å |
| 64 | T | 72.4 | Confident | 70.2 | Confident | 79 Ų | 79 | 107.6 Ų | 107.6 | 49% | 0.485 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.9 | -38 | 178.3 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | R60 S61 F67 R68 | R60-T64 WeakPolarHBondContact O-CB 3.48Å; R60-T64 PolarHBondContact O-N 2.72Å; R60-T64 PolarHBondContact O-OG1 2.97Å; S61-T64 PolarHBondContact O-N 2.98Å; T64-F67 PolarHBondContact O-N 2.69Å; T64-R68 PolarHBondContact O-N 2.75Å |
| 65 | E | 63.9 | Low | 68.3 | Low | 115 Ų | 115 | 107.5 Ų | 107.5 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.4 | -44 | 172.4 | -73 | 167.6 | 179.7 | 0 | 0 | 110.7 | S61 F67 R68 T69 | S61-E65 WeakPolarHBondContact O-CB 3.13Å; S61-E65 WeakPolarHBondContact O-CG 3.38Å; S61-E65 PolarHBondContact O-N 3.17Å; E65-F67 PolarHBondContact O-N 2.83Å; E65-R68 PolarHBondContact O-N 2.89Å; E65-T69 WeakPolarHBondContact O-CB 3.48Å; E65-T69 PolarHBondContact O-N 2.9Å; E65-T69 PolarHBondContact O-OG1 3.03Å |
| 66 | S | 60.2 | Low | 66.2 | Low | 73 Ų | 73 | 111 Ų | 111 | 51% | 0.51 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.9 | -25.9 | 175.8 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | V62 K63 G70 | V62-S66 WeakPolarHBondContact O-CB 3.48Å; V62-S66 PolarHBondContact O-N 3.39Å; V62-S66 PolarHBondContact O-OG 3.02Å; K63-S66 WeakPolarHBondContact CA-OG 3.29Å; K63-S66 PolarHBondContact O-N 3.32Å; K63-S66 PolarHBondContact O-OG 3.23Å; S66-G70 PolarHBondContact O-N 3.41Å |
| 67 | F | 58.7 | Low | 64.3 | Low | 146 Ų | 146 | 110.3 Ų | 110.3 | 64% | 0.64 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.4 | -46.6 | 171.4 | -95.8 | -99.3 | 0 | 0 | 0 | 111.6 | K63 T64 E65 T69 G70 | K63-F67 HydrophobicContact CG-CD2 4.4Å; K63-F67 WeakPolarHBondContact O-CD2 3.44Å; K63-F67 PolarHBondContact O-N 3.47Å; K63-F67 VanDerWaalsContact O-N 3.15Å; T64-F67 PolarHBondContact O-N 2.69Å; E65-F67 PolarHBondContact O-N 2.83Å; F67-T69 PolarHBondContact O-N 3.32Å; F67-G70 WeakPolarHBondContact O-CA 3.44Å; F67-G70 PolarHBondContact O-N 3.15Å |
| 68 | R | 59.7 | Low | 62.5 | Low | 182 Ų | 182 | 115.3 Ų | 115.3 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.4 | -37.8 | 178.1 | -74.1 | 178.8 | 175.1 | -88.2 | -0.2 | 113.2 | T64 E65 G70 | T64-R68 PolarHBondContact O-N 2.75Å; E65-R68 PolarHBondContact O-N 2.89Å; R68-G70 PolarHBondContact O-N 3.26Å |
| 69 | T | 55.5 | Low | 60.5 | Low | 91 Ų | 91 | 122.4 Ų | 122.4 | 56% | 0.558 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -13.3 | 174.5 | -47.3 | 0 | 0 | 0 | 0 | 112.3 | E65 F67 | E65-T69 WeakPolarHBondContact O-CB 3.48Å; E65-T69 PolarHBondContact O-N 2.9Å; E65-T69 PolarHBondContact O-OG1 3.03Å; F67-T69 PolarHBondContact O-N 3.32Å |
| 70 | G | 53.1 | Low | 58.6 | Low | 58 Ų | 58 | 125.3 Ų | 125.3 | 60% | 0.598 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -14.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S66 F67 R68 | S66-G70 PolarHBondContact O-N 3.41Å; F67-G70 WeakPolarHBondContact O-CA 3.44Å; F67-G70 PolarHBondContact O-N 3.15Å; R68-G70 PolarHBondContact O-N 3.26Å |
| 71 | E | 50.7 | Low | 56.8 | Low | 160 Ų | 160 | 130.8 Ų | 130.8 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -88.7 | -18.6 | -178.4 | -66.8 | 179.5 | 125.8 | 0 | 0 | 113.1 | | |
| 72 | D | 47.4 | Very low | 55 | Low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -111.9 | 12.9 | -168.2 | -143.1 | 12.5 | 0 | 0 | 0 | 114.1 | | |
| 73 | I | 50.6 | Low | 53.2 | Low | 127 Ų | 127 | 135.6 Ų | 135.6 | 65% | 0.651 | 72% | 0.717 | S | S | * | * | | | trans | -127.9 | 64.3 | 173.9 | -47.5 | -177.7 | 0 | 0 | 0 | 109.7 | T75 | I73-T75 VanDerWaalsContact C-N 3.31Å; I73-T75 PolarHBondContact O-N 3.09Å |
| 74 | A | 51.4 | Low | 51.5 | Low | 97 Ų | 97 | 134.7 Ų | 134.7 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | | | trans | -89.6 | 20.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 75 | T | 51.9 | Low | 49.8 | Very low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -133.2 | 117.9 | 176.7 | 53.2 | 0 | 0 | 0 | 0 | 113 | I73 | I73-T75 VanDerWaalsContact C-N 3.31Å; I73-T75 PolarHBondContact O-N 3.09Å |
| 76 | E | 44.4 | Very low | 48.6 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 94% | 0.944 | 76% | 0.76 | S | S | * | * | | | trans | 57.3 | 110.5 | 151.1 | -163.7 | 173.6 | -167.1 | 0 | 0 | 119.8 | | |
| 77 | G | 49.8 | Very low | 47.6 | Very low | 62 Ų | 62 | 144.4 Ų | 144.4 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | | | trans | 137.9 | 110.3 | 141.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 78 | K | 49.5 | Very low | 46.7 | Very low | 202 Ų | 202 | 142.9 Ų | 142.9 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | | | trans | 64.7 | 94.6 | 145.4 | -58.2 | 159.9 | -170.4 | 167.4 | 0 | 116.6 | L80 | K78-L80 PolarHBondContact O-N 2.87Å; K78-L80 VanDerWaalsContact O-N 3.14Å |
| 79 | H | 45 | Very low | 45.3 | Very low | 196 Ų | 196 | 141.6 Ų | 141.6 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | | | trans | -48.7 | 114 | 161.7 | -110.8 | 60 | 0 | 0 | 0 | 111.8 | | |
| 80 | L | 45.5 | Very low | 44.7 | Very low | 169 Ų | 169 | 143 Ų | 143 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | | | trans | -94.6 | 115.2 | 161 | -75.3 | 178.5 | 0 | 0 | 0 | 109.4 | K78 M82 | K78-L80 PolarHBondContact O-N 2.87Å; K78-L80 VanDerWaalsContact O-N 3.14Å; L80-M82 PolarHBondContact O-N 2.95Å |
| 81 | R | 45.5 | Very low | 43.7 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -68.7 | 119.8 | -172.3 | -170.2 | -177.2 | -165.5 | -173.5 | 5.6 | 111 | G83 | R81-G83 PolarHBondContact O-N 3.14Å; R81-G83 VanDerWaalsContact O-N 3.14Å |
| 82 | M | 43.2 | Very low | 42.9 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | -56.8 | 117 | 167.1 | -81 | -65 | -65.9 | 0 | 0 | 110.1 | L80 S84 | L80-M82 PolarHBondContact O-N 2.95Å; M82-S84 PolarHBondContact O-N 3.37Å |
| 83 | G | 42 | Very low | 42.2 | Very low | 68 Ų | 68 | 148.7 Ų | 148.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -85.8 | 94.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R81 | R81-G83 PolarHBondContact O-N 3.14Å; R81-G83 VanDerWaalsContact O-N 3.14Å |
| 84 | S | 41 | Very low | 41.2 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -82.2 | 107.5 | 161.5 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | M82 | M82-S84 PolarHBondContact O-N 3.37Š|
| 85 | I | 37.3 | Very low | 41 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 122.3 | 175.8 | 49 | 172.3 | 0 | 0 | 0 | 111.4 | | |
| 86 | T | 38.4 | Very low | 40.1 | Very low | 135 Ų | 135 | 152.6 Ų | 152.6 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 150.9 | 174.6 | -57 | 0 | 0 | 0 | 0 | 109.9 | | |
| 87 | M | 38.4 | Very low | 40.5 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 150.4 | -178.9 | -69.7 | -63.5 | -58.9 | 0 | 0 | 114.2 | | |
| 88 | P | 40.6 | Very low | 39.7 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -104.5 | 174.2 | 152.8 | 36.1 | -27.9 | 0 | 0 | 0 | 113 | | |
| 89 | E | 29.8 | Very low | 38.9 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | trans | -112.1 | 152.7 | -158.2 | -175.7 | -176.2 | 142.1 | 0 | 0 | 113.9 | Q91 | E89-Q91 PolarHBondContact OE1-NE2 2.8Š|
| 90 | P | 42.4 | Very low | 38.3 | Very low | 120 Ų | 120 | 147 Ų | 147 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -106.1 | 124.6 | 179.5 | 36.6 | -28.8 | 0 | 0 | 0 | 115.2 | | |
| 91 | Q | 32.3 | Very low | 37.5 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | trans | -135 | 115.7 | 162.4 | -61 | -177.2 | 14.3 | 0 | 0 | 107.2 | E89 | E89-Q91 PolarHBondContact OE1-NE2 2.8Š|
| 92 | E | 34.2 | Very low | 37.2 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | | | | 99.3 | 96.3 | 78.8 | -167.6 | -150 | -175.7 | 0 | 0 | 112.3 | | |
| 93 | R | 33.7 | Very low | 36.6 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | | | trans | 176.6 | 161.9 | 136.2 | -95.2 | 153.9 | -163 | 75 | 14.9 | 113.7 | | |
| 94 | M | 28.9 | Very low | 36.3 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 80% | 0.798 | 72% | 0.724 | S | S | * | * | | | trans | -135.6 | 174.5 | -178.6 | -94.3 | -81.9 | -169.2 | 0 | 0 | 107.1 | L96 | M94-L96 HydrophobicContact SD-CD1 4.29Š|
| 95 | P | 46.2 | Very low | 35.9 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | | | cis | -141 | -169.2 | 22.3 | 41 | -19 | 0 | 0 | 0 | 118.1 | | |
| 96 | L | 34.7 | Very low | 35.8 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | trans | -61.7 | -177.6 | 177.6 | -108.2 | 72.6 | 0 | 0 | 0 | 116.7 | M94 | M94-L96 HydrophobicContact SD-CD1 4.29Š|
| 97 | P | 51.9 | Low | 35.6 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 66% | 0.656 | 72% | 0.718 | S | S | * | * | | | cis | -145.6 | -176 | 28.9 | 44.1 | -23.5 | 0 | 0 | 0 | 121.1 | | |
| 98 | H | 33 | Very low | 35.5 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 75% | 0.745 | 73% | 0.725 | S | S | * | * | | | trans | 86.1 | 162.2 | 161.2 | -76.4 | 18.9 | 0 | 0 | 0 | 119.7 | | |
| 99 | L | 32.9 | Very low | 35.3 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | | | cis | -177.9 | 173.5 | -32.1 | -96.5 | -156.2 | 0 | 0 | 0 | 108.6 | | |
| 100 | H | 32.6 | Very low | 36 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | | | cis | -174.9 | 122.4 | -14.4 | 166.5 | -98 | 0 | 0 | 0 | 114.9 | | |
| 101 | T | 28.8 | Very low | 35.6 | Very low | 46 Ų | 46 | 136.1 Ų | 136.1 | 28% | 0.282 | 74% | 0.737 | S | S | . | * | | | trans | 68.6 | 111.4 | 144.3 | -59.6 | 0 | 0 | 0 | 0 | 124.9 | P508 P509 | T101-P508 WeakPolarHBondContact CA-O 3.47Å; T101-P508 HydrophobicContact CG2-CG 3.84Å; T101-P508 PolarHBondContact N-O 2.8Å; T101-P508 WeakPolarHBondContact OG1-CD 3.37Å; T101-P508 WeakPolarHBondContact OG1-CG 3.43Å; T101-P509 CarbonylContact C-O 3.57Å |
| 102 | I | 39.5 | Very low | 35.8 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 57% | 0.574 | 74% | 0.738 | S | S | * | * | | | | -168.4 | 177 | 123.9 | -107.4 | 173.3 | 0 | 0 | 0 | 111.8 | P508 P509 | I102-P508 WeakPolarHBondContact O-CB 3.33Å; I102-P509 CarbonylContact C-O 3.55Å; I102-P509 PolarHBondContact N-O 3.07Å; I102-P509 WeakPolarHBondContact O-CD 3.26Å; I102-P509 WeakPolarHBondContact O-CG 3.37Å |
| 103 | A | 30.6 | Very low | 36.1 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 61% | 0.612 | 75% | 0.745 | S | S | * | * | | | trans | -130.5 | -172.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 104 | C | 34.9 | Very low | 36.2 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 95% | 0.946 | 74% | 0.74 | S | S | * | * | | | trans | 86.3 | 147.4 | 160.9 | -60.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 105 | G | 32.6 | Very low | 37 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | trans | 136.3 | 128.2 | 144.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 106 | Q | 35.4 | Very low | 36.7 | Very low | 189 Ų | 189 | 132.9 Ų | 132.9 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | | | trans | 43.6 | 121.8 | 142.7 | -98.4 | 66.4 | -13.3 | 0 | 0 | 124.1 | | |
| 107 | G | 34.2 | Very low | 37.1 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | | 78.5 | 106.4 | 104.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 108 | F | 35.9 | Very low | 36.5 | Very low | 221 Ų | 221 | 134.3 Ų | 134.3 | 97% | 0.969 | 76% | 0.761 | S | S | * | * | | | trans | -85.1 | 143 | 161.7 | -80.2 | -92.9 | 0 | 0 | 0 | 112.1 | | |
| 109 | S | 35.8 | Very low | 36.6 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -143.5 | 154.9 | 164.7 | -170.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 110 | V | 44.3 | Very low | 36.7 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | trans | -109.1 | 128 | -170.3 | 178 | 0 | 0 | 0 | 0 | 111 | | |
| 111 | R | 34.9 | Very low | 37 | Very low | 214 Ų | 214 | 124.5 Ų | 124.5 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | -151.6 | 131.8 | 158 | -161.4 | 174 | -177.6 | 96.6 | -2 | 111.2 | | |
| 112 | S | 37.1 | Very low | 37.3 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | -123.8 | 123.4 | 175.1 | 46.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 113 | Q | 40.7 | Very low | 37.4 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 77% | 0.771 | 81% | 0.807 | S | S | * | * | | | trans | -151.9 | 131.5 | 164.9 | -72.9 | -168.8 | -15.9 | 0 | 0 | 109.2 | | |
| 114 | S | 34.1 | Very low | 37.9 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 82% | 0.816 | S | S | * | * | | | trans | -165.3 | 149.6 | 135 | -164.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 115 | L | 46.2 | Very low | 38.2 | Very low | 163 Ų | 163 | 137 Ų | 137 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | -115.8 | 149.9 | 171.8 | -67.4 | 169.3 | 0 | 0 | 0 | 107.9 | | |
| 116 | H | 39.8 | Very low | 38.6 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | -133.2 | 120.9 | 169.8 | -66 | 99.7 | 0 | 0 | 0 | 109.9 | | |
| 117 | S | 43 | Very low | 38.6 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -98.3 | 138.9 | 171.5 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 118 | V | 39.4 | Very low | 38.7 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | | | trans | -157.4 | 140.2 | 144.9 | -96.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 119 | G | 35.8 | Very low | 39.1 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | 166 | 79.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 120 | G | 35.8 | Very low | 39.3 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | trans | -76 | 155.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 121 | G | 37.2 | Very low | 39.2 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | -160.3 | 133.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 122 | N | 36.6 | Very low | 39.8 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | | | trans | -178.9 | 147.5 | 164.4 | 51.3 | -28.3 | 0 | 0 | 0 | 107.9 | | |
| 123 | D | 41 | Very low | 40.2 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | cis | -158.1 | 161.4 | -21.3 | -93.6 | -32.6 | 0 | 0 | 0 | 107.7 | | |
| 124 | E | 41.9 | Very low | 40.8 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | | | trans | 31.9 | 113.8 | 159.9 | -52.9 | -55.8 | 89 | 0 | 0 | 121.5 | | |
| 125 | E | 40 | Very low | 41.7 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | | -174.5 | 154.7 | 104.3 | -119.3 | -161.9 | 118.7 | 0 | 0 | 114.7 | | |
| 126 | V | 42.2 | Very low | 42.2 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | | | trans | 34 | 101.6 | 164.2 | -163.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 127 | G | 35.1 | Very low | 43.1 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | | | trans | 164.8 | 96.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 128 | S | 35.3 | Very low | 43.7 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | | | trans | -150.1 | 158.7 | 174.2 | -94.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 129 | P | 45.7 | Very low | 44.7 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | cis | -137.4 | 172.5 | 26 | 43.5 | -26.8 | 0 | 0 | 0 | 117.8 | | |
| 130 | T | 38.4 | Very low | 46 | Very low | 131 Ų | 131 | 141 Ų | 141 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 17.7 | 137.6 | 148 | 62.9 | 0 | 0 | 0 | 0 | 122 | | |
| 131 | S | 42.7 | Very low | 47.7 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | | -161 | 161.5 | 112.3 | -163.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 132 | R | 47.7 | Very low | 48.8 | Very low | 233 Ų | 233 | 148.5 Ų | 148.5 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -128.1 | 98.7 | -164.4 | -173.3 | -174.7 | -173.5 | -160.2 | 5.6 | 111.9 | | |
| 133 | K | 46.3 | Very low | 50.1 | Low | 211 Ų | 211 | 147.6 Ų | 147.6 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | 27.3 | 97.7 | 163 | -66.1 | 179.5 | 179.6 | 174.9 | 0 | 117.3 | | |
| 134 | Q | 53.6 | Low | 50.7 | Low | 186 Ų | 186 | 145.4 Ų | 145.4 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 156.9 | 155.6 | -80.5 | -168.5 | -2.3 | 0 | 0 | 111.8 | | |
| 135 | P | 51.2 | Low | 51.4 | Low | 109 Ų | 109 | 140.9 Ų | 140.9 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 155.1 | 172.6 | 32.2 | -35.6 | 0 | 0 | 0 | 112.2 | | |
| 136 | P | 58.4 | Low | 52.3 | Low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 146.5 | -178.8 | 29 | -35.2 | 0 | 0 | 0 | 112.8 | | |
| 137 | P | 57.7 | Low | 52.9 | Low | 123 Ų | 123 | 142.5 Ų | 142.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 160.2 | -178.6 | 30.8 | -35.9 | 0 | 0 | 0 | 113.3 | | |
| 138 | K | 55.3 | Low | 53.9 | Low | 195 Ų | 195 | 145.1 Ų | 145.1 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 142.1 | 174.1 | -63.1 | 175.1 | -178.8 | 174.4 | 0 | 110.5 | | |
| 139 | P | 61.2 | Low | 54.1 | Low | 127 Ų | 127 | 147.3 Ų | 147.3 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 137.3 | 175.2 | 26.9 | -33.8 | 0 | 0 | 0 | 111.7 | | |
| 140 | R | 62.7 | Low | 53.9 | Low | 171 Ų | 171 | 147.3 Ų | 147.3 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 150.7 | 167.8 | -76 | 166.2 | 86.3 | 155.5 | -1.1 | 109.3 | E566 | R140-E566 IonicContact CZ-OE2 3.26Å; R140-E566 VanDerWaalsContact CZ-OE2 3.26Å; R140-E566 IonicContact NH1-OE2 2.67Å; R140-E566 PolarHBondContact NH1-OE2 3.13Å; R140-E566 IonicContact NH2-OE1 3.14Å; R140-E566 PolarHBondContact NH2-OE1 3.28Å; R140-E566 VanDerWaalsContact NH2-OE1 3.14Å; R140-E566 IonicContact NH2-OE2 2.9Å; R140-E566 PolarHBondContact NH2-OE2 2.69Å |
| 141 | R | 72.4 | Confident | 54.1 | Low | 189 Ų | 189 | 146 Ų | 146 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 139.5 | 177.2 | 178.1 | 177.4 | 177.7 | 157.4 | -0.5 | 109.6 | T145 | R141-T145 PolarHBondContact NE-OG1 2.89Š|
| 142 | D | 59 | Low | 53.9 | Low | 125 Ų | 125 | 148.4 Ų | 148.4 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 134.8 | -176.8 | -90.5 | -55 | 0 | 0 | 0 | 113.7 | A144 T145 | D142-A144 PolarHBondContact O-N 3.36Å; D142-A144 VanDerWaalsContact O-N 3.11Å; D142-T145 PolarHBondContact O-N 3.14Å; D142-T145 PolarHBondContact O-OG1 2.89Å |
| 143 | P | 65.2 | Low | 53.5 | Low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -17.9 | 177.7 | -24.2 | 34.4 | 0 | 0 | 0 | 114.9 | T145 | P143-T145 PolarHBondContact O-N 3.25Š|
| 144 | A | 52.6 | Low | 52.9 | Low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -11.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D142 K146 | D142-A144 PolarHBondContact O-N 3.36Å; D142-A144 VanDerWaalsContact O-N 3.11Å; A144-K146 VanDerWaalsContact C-N 3.28Å; A144-K146 PolarHBondContact O-N 3.13Å |
| 145 | T | 57.1 | Low | 51.8 | Low | 78 Ų | 78 | 134.4 Ų | 134.4 | 48% | 0.479 | 75% | 0.754 | S | S | . | * | | | trans | -78.1 | 69.7 | 174.1 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | R141 D142 P143 | R141-T145 PolarHBondContact NE-OG1 2.89Å; D142-T145 PolarHBondContact O-N 3.14Å; D142-T145 PolarHBondContact O-OG1 2.89Å; P143-T145 PolarHBondContact O-N 3.25Å |
| 146 | K | 57.9 | Low | 51.2 | Low | 198 Ų | 198 | 138 Ų | 138 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 132.9 | 158.8 | -79.2 | -166.4 | 174.1 | -174.8 | 0 | 109.9 | A144 | A144-K146 VanDerWaalsContact C-N 3.28Å; A144-K146 PolarHBondContact O-N 3.13Å |
| 147 | L | 55.9 | Low | 49.7 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 148.9 | 175.7 | -63.3 | 169.4 | 0 | 0 | 0 | 109.9 | | |
| 148 | S | 56.6 | Low | 48.6 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142.9 | -179 | -45.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 149 | M | 39.3 | Very low | 47.6 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 84% | 0.837 | 76% | 0.76 | S | S | * | * | | | trans | -145.7 | 115 | 165.3 | 59.6 | -162.2 | -57.8 | 0 | 0 | 112.7 | | |
| 150 | S | 40.5 | Very low | 46.1 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | 45.7 | 109.8 | 138.3 | -48.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 151 | S | 42.6 | Very low | 44.6 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | | 49.2 | 130.4 | 123.4 | 64.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 152 | E | 39.5 | Very low | 42.5 | Very low | 181 Ų | 181 | 129.2 Ų | 129.2 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | | 139.6 | 114.8 | 110.8 | -162 | 152.1 | -173.3 | 0 | 0 | 116.9 | | |
| 153 | A | 37.7 | Very low | 40.9 | Very low | 86 Ų | 86 | 135 Ų | 135 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | 70.9 | 162.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 154 | V | 35.4 | Very low | 39.1 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | | | trans | 80.1 | 100.7 | 162.7 | -165.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 155 | D | 30.4 | Very low | 37.9 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | 39.4 | 139 | 132.6 | -55.8 | -39.2 | 0 | 0 | 0 | 120.7 | | |
| 156 | H | 37 | Very low | 36.6 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | | | | -141.4 | 163.5 | 54.6 | -80.3 | 57.5 | 0 | 0 | 0 | 115.4 | | |
| 157 | S | 28.8 | Very low | 35.4 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | | | trans | -93.2 | 155.6 | -170.6 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 158 | A | 33.5 | Very low | 34.1 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | | | trans | -133.6 | 124.9 | 144.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 159 | M | 34 | Very low | 32.9 | Very low | 163 Ų | 163 | 137 Ų | 137 | 80% | 0.803 | 79% | 0.79 | S | S | * | * | | | trans | -90.2 | 137.7 | -170.8 | -67.8 | 165.7 | 57.1 | 0 | 0 | 112.2 | | |
| 160 | S | 31 | Very low | 32.8 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -145.5 | 97.3 | 146.8 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 161 | T | 31.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | trans | -69.2 | 140.5 | 171.3 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 162 | C | 27.5 | Very low | 32.1 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 91% | 0.905 | 78% | 0.78 | S | S | * | * | | | trans | -149 | 149.7 | 142 | -121.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 163 | R | 25.7 | Very low | 32.1 | Very low | 246 Ų | 246 | 139.1 Ų | 139.1 | 93% | 0.928 | 77% | 0.765 | S | S | * | * | | | trans | -74.2 | 150.4 | -175.9 | -57.7 | 173.7 | -173 | -85.7 | 0.8 | 109.7 | | |
| 164 | G | 27.4 | Very low | 31.9 | Very low | 79 Ų | 79 | 143.1 Ų | 143.1 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | | | trans | -86.5 | 168.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 165 | E | 27.3 | Very low | 32 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | | | trans | -141.5 | 175.4 | 170.4 | -132.6 | 160.1 | -162.2 | 0 | 0 | 110.7 | | |
| 166 | R | 30.5 | Very low | 32.2 | Very low | 222 Ų | 222 | 147.8 Ų | 147.8 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -108.4 | -177.4 | -176.7 | -64.7 | 175.8 | -68.3 | -109.4 | -6.6 | 110 | | |
| 167 | C | 31.3 | Very low | 32.3 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | 72.1 | 144.1 | 166.3 | -66.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 168 | D | 28.9 | Very low | 32.7 | Very low | 144 Ų | 144 | 148.8 Ų | 148.8 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | cis | -141.8 | 171.3 | -7.2 | -86.5 | -41.9 | 0 | 0 | 0 | 107.7 | | |
| 169 | G | 32.5 | Very low | 33.1 | Very low | 56 Ų | 56 | 148.6 Ų | 148.6 | 58% | 0.577 | 76% | 0.763 | S | S | * | * | | | cis | 151.8 | 172.8 | 0.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 170 | Y | 35.9 | Very low | 33.2 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | | | trans | 66.4 | 120.1 | 169.9 | -69.3 | -102.1 | 0 | 0 | 0 | 115.8 | | |
| 171 | K | 33.4 | Very low | 33.4 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | | | | 67.6 | 140 | 78 | -71.7 | -174.4 | 175.3 | 176.4 | 0 | 112.4 | | |
| 172 | F | 35 | Very low | 33.5 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | | | cis | -157.4 | 161.9 | 21.7 | -135.6 | -169.2 | 0 | 0 | 0 | 114 | | |
| 173 | I | 38.7 | Very low | 33.8 | Very low | 101 Ų | 101 | 154.3 Ų | 154.3 | 52% | 0.518 | 76% | 0.762 | S | S | . | * | | | trans | 15.4 | 142 | 158.7 | 34.1 | 172.7 | 0 | 0 | 0 | 121.2 | | |
| 174 | Y | 34.3 | Very low | 34.4 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | | -147.7 | 126 | 60.6 | -103.5 | -87.2 | 0 | 0 | 0 | 116.2 | K176 | Y174-K176 HydrophobicContact CD1-CG 4.12Å; Y174-K176 HydrophobicContact CE1-CG 4.11Å |
| 175 | M | 37.8 | Very low | 34.8 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | | | trans | -131 | 105.1 | 153 | -88.4 | -73.2 | 108.7 | 0 | 0 | 107.6 | L177 | M175-L177 PolarHBondContact O-N 3.41Š|
| 176 | K | 33.4 | Very low | 35.5 | Very low | 172 Ų | 172 | 147 Ų | 147 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | -76.4 | 89.1 | 173.4 | -96.4 | -174.9 | 174.7 | -179.8 | 0 | 109.2 | Y174 | Y174-K176 HydrophobicContact CD1-CG 4.12Å; Y174-K176 HydrophobicContact CE1-CG 4.11Å |
| 177 | L | 40.7 | Very low | 35.9 | Very low | 167 Ų | 167 | 142 Ų | 142 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | | | trans | -80.6 | 135.4 | 154.5 | -152.9 | 78.1 | 0 | 0 | 0 | 107.7 | M175 | M175-L177 PolarHBondContact O-N 3.41Š|
| 178 | L | 35.8 | Very low | 36.2 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | | | trans | -124.7 | 153.4 | 171.2 | -80.6 | 176.8 | 0 | 0 | 0 | 109.7 | | |
| 179 | P | 43.3 | Very low | 36.5 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -88 | 148.2 | -149.6 | 32.8 | -36.5 | 0 | 0 | 0 | 114.1 | | |
| 180 | L | 35.8 | Very low | 36.7 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 123.8 | 150.6 | -91.2 | 76.4 | 0 | 0 | 0 | 108.2 | | |
| 181 | I | 35 | Very low | 36.4 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 129.9 | 169.1 | -65.9 | 173.1 | 0 | 0 | 0 | 108.2 | Y183 | I181-Y183 HydrophobicContact CG2-CD2 4.15Å; I181-Y183 HydrophobicContact CG2-CE2 4.09Å |
| 182 | T | 33.2 | Very low | 36.3 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 118.7 | 176 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 183 | Y | 32.9 | Very low | 36.5 | Very low | 218 Ų | 218 | 144.5 Ų | 144.5 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | trans | -110.5 | 122.5 | 152.2 | -85 | -81.8 | 0 | 0 | 0 | 108.2 | I181 | I181-Y183 HydrophobicContact CG2-CD2 4.15Å; I181-Y183 HydrophobicContact CG2-CE2 4.09Å |
| 184 | G | 38.6 | Very low | 36.2 | Very low | 69 Ų | 69 | 147.4 Ų | 147.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -90.7 | 131.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 185 | T | 36.3 | Very low | 36.1 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | -129.7 | 144.4 | 151.9 | 50.6 | 0 | 0 | 0 | 0 | 108.7 | T187 | T185-T187 PolarHBondContact O-N 3.01Š|
| 186 | N | 41.3 | Very low | 35.7 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 92% | 0.92 | 77% | 0.77 | S | S | * | * | | | trans | -75.8 | 119.2 | 177.2 | -76.7 | -76.3 | 0 | 0 | 0 | 109.8 | | |
| 187 | T | 39.6 | Very low | 35.7 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | | | trans | -124.1 | 113.6 | 164.4 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | T185 L189 | T185-T187 PolarHBondContact O-N 3.01Å; T187-L189 PolarHBondContact O-N 3.34Å |
| 188 | M | 38.6 | Very low | 35.2 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | | | trans | -69.2 | 120.8 | 170.9 | 179.2 | -153.2 | -115.3 | 0 | 0 | 108.5 | I190 | M188-I190 HydrophobicContact CG-CG1 4.4Å; M188-I190 HydrophobicContact SD-CD1 4.26Å; M188-I190 HydrophobicContact SD-CG1 3.79Å |
| 189 | L | 35.3 | Very low | 35 | Very low | 167 Ų | 167 | 143 Ų | 143 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | -102.6 | 115.8 | 165.9 | -82.9 | 177 | 0 | 0 | 0 | 110.8 | T187 | T187-L189 PolarHBondContact O-N 3.34Š|
| 190 | I | 35.3 | Very low | 34.5 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 54% | 0.544 | 78% | 0.775 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 130.5 | -177.7 | -68 | 163.9 | 0 | 0 | 0 | 109.7 | M188 Y192 | M188-I190 HydrophobicContact CG-CG1 4.4Å; M188-I190 HydrophobicContact SD-CD1 4.26Å; M188-I190 HydrophobicContact SD-CG1 3.79Å; I190-Y192 HydrophobicContact CB-CE2 4.45Å; I190-Y192 HydrophobicContact CG2-CD2 4.38Å; I190-Y192 HydrophobicContact CG2-CE2 4.11Å; I190-Y192 PolarHBondContact O-N 3.02Å |
| 191 | S | 30.6 | Very low | 34.1 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 117 | 167.7 | -64 | 0 | 0 | 0 | 0 | 110.6 | | |
| 192 | Y | 30.6 | Very low | 33.7 | Very low | 200 Ų | 200 | 141 Ų | 141 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 122.3 | 165 | -79.5 | -82.7 | 0 | 0 | 0 | 110.1 | I190 | I190-Y192 HydrophobicContact CB-CE2 4.45Å; I190-Y192 HydrophobicContact CG2-CD2 4.38Å; I190-Y192 HydrophobicContact CG2-CE2 4.11Å; I190-Y192 PolarHBondContact O-N 3.02Å |
| 193 | P | 40.2 | Very low | 33.7 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 137.6 | -175.2 | 31.1 | -34.5 | 0 | 0 | 0 | 111.9 | | |
| 194 | N | 31.6 | Very low | 33.6 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 124 | 161.1 | -107.7 | -88.8 | 0 | 0 | 0 | 109.6 | | |
| 195 | K | 32.5 | Very low | 33.1 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | | | trans | -118.4 | 125.1 | 162.3 | -74 | -171.5 | 175.5 | -173.1 | 0 | 106.1 | | |
| 196 | S | 29.7 | Very low | 33.4 | Very low | 81 Ų | 81 | 143 Ų | 143 | 57% | 0.566 | 79% | 0.79 | S | S | * | * | | | | 67.2 | 144.4 | 59.5 | 81.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 197 | E | 33.8 | Very low | 33.1 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | cis | -105.6 | -152.9 | -7.3 | -62.7 | 76.4 | -129.9 | 0 | 0 | 110 | | |
| 198 | Q | 28.7 | Very low | 32.5 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | cis | -148.7 | 110.2 | -1.3 | -175.4 | 167.1 | 22.4 | 0 | 0 | 113.5 | | |
| 199 | E | 32.7 | Very low | 32.3 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | | 51.8 | 131.6 | 119.4 | -154 | -157.6 | 165.8 | 0 | 0 | 122.8 | | |
| 200 | K | 31.4 | Very low | 31.8 | Very low | 211 Ų | 211 | 135 Ų | 135 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | | | | -154.6 | 132.5 | 125.1 | -118.1 | 169 | -173.2 | 173.3 | 0 | 112 | | |
| 201 | G | 27.6 | Very low | 32.3 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | -75.9 | 164.5 | -162.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 202 | G | 26.4 | Very low | 32.9 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | | | trans | -172.7 | 65 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 203 | A | 33.1 | Very low | 33.8 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | | | trans | -72.9 | 138.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 204 | C | 31.6 | Very low | 34.1 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | trans | -140.1 | 149.1 | 163.4 | -87.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 205 | Q | 29.1 | Very low | 35.3 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -81.1 | 141.3 | -163.1 | -62.3 | 166.5 | -3.2 | 0 | 0 | 112.4 | Q207 | Q205-Q207 HydrophobicContact CB-CB 4.27Š|
| 206 | I | 41.3 | Very low | 36.6 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 93% | 0.928 | 76% | 0.761 | S | S | * | * | | | trans | -87.2 | 103.4 | 155.1 | -61.5 | 178.6 | 0 | 0 | 0 | 106.2 | | |
| 207 | Q | 34.6 | Very low | 38.3 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | -139.3 | 132.7 | -178.6 | -178.4 | 66 | 62.1 | 0 | 0 | 109.1 | Q205 | Q205-Q207 HydrophobicContact CB-CB 4.27Š|
| 208 | G | 28.4 | Very low | 39.7 | Very low | 62 Ų | 62 | 136.5 Ų | 136.5 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | | | trans | 92.5 | 83.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 209 | C | 32.7 | Very low | 41.6 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | | | trans | -60.6 | 150.5 | 135.7 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | E211 | C209-E211 PolarHBondContact SG-OE1 3.41Š|
| 210 | N | 26.8 | Very low | 43.4 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | | | trans | -139.6 | 106.1 | 175.3 | -177.7 | -102.6 | 0 | 0 | 0 | 109.3 | D212 | N210-D212 PolarHBondContact O-N 2.81Š|
| 211 | E | 45.6 | Very low | 45.2 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 57.3 | -176.2 | -69.9 | 72.9 | -165.7 | 0 | 0 | 113 | C209 | C209-E211 PolarHBondContact SG-OE1 3.41Š|
| 212 | D | 42.1 | Very low | 47.5 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 54% | 0.535 | 78% | 0.778 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -141.8 | 26.3 | 163.5 | -124.8 | -28.4 | 0 | 0 | 0 | 113.8 | N210 R214 | N210-D212 PolarHBondContact O-N 2.81Å; D212-R214 PolarHBondContact O-N 3.42Å; D212-R214 IonicContact OD1-CZ 3.65Å; D212-R214 IonicContact OD1-NE 2.81Å; D212-R214 PolarHBondContact OD1-NE 3.06Å; D212-R214 IonicContact OD1-NH2 3.56Å |
| 213 | C | 49.4 | Very low | 49.7 | Very low | 117 Ų | 117 | 142 Ų | 142 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -69 | 56.5 | 168.8 | -76.5 | 0 | 0 | 0 | 0 | 112.7 | R215 | C213-R215 PolarHBondContact O-N 3.12Š|
| 214 | R | 46.6 | Very low | 51.2 | Low | 199 Ų | 199 | 141.5 Ų | 141.5 | 75% | 0.751 | 75% | 0.745 | S | S | * | * | | | trans | -59.5 | 108 | 172.2 | -63.7 | -175.7 | -172.6 | -130 | -2.5 | 108.8 | D212 V216 | D212-R214 PolarHBondContact O-N 3.42Å; D212-R214 IonicContact OD1-CZ 3.65Å; D212-R214 IonicContact OD1-NE 2.81Å; D212-R214 PolarHBondContact OD1-NE 3.06Å; D212-R214 IonicContact OD1-NH2 3.56Å; R214-V216 VanDerWaalsContact C-N 3.26Å; R214-V216 PolarHBondContact O-N 2.83Å |
| 215 | R | 57.5 | Low | 53.3 | Low | 242 Ų | 242 | 141 Ų | 141 | 91% | 0.913 | 74% | 0.74 | S | S | * | * | | | trans | -66.3 | 85.4 | 173.9 | -72.5 | -179.9 | 172.9 | 136.3 | -2.8 | 109.7 | C213 P217 | C213-R215 PolarHBondContact O-N 3.12Å; R215-P217 WeakPolarHBondContact O-CD 3.24Å |
| 216 | V | 59.1 | Low | 55 | Low | 123 Ų | 123 | 139.5 Ų | 139.5 | 75% | 0.745 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 118.9 | 166.2 | -178.2 | 0 | 0 | 0 | 0 | 106.8 | R214 | R214-V216 VanDerWaalsContact C-N 3.26Å; R214-V216 PolarHBondContact O-N 2.83Å |
| 217 | P | 65.8 | Low | 56.4 | Low | 102 Ų | 102 | 134 Ų | 134 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 144.4 | 177.7 | 26.2 | -33.6 | 0 | 0 | 0 | 109.1 | R215 | R215-P217 WeakPolarHBondContact O-CD 3.24Š|
| 218 | P | 62.5 | Low | 57.8 | Low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 134.2 | -179.2 | 23.3 | -33.4 | 0 | 0 | 0 | 109.8 | K220 | P218-K220 PolarHBondContact O-N 3.49Š|
| 219 | P | 68.4 | Low | 59.2 | Low | 123 Ų | 123 | 137.5 Ų | 137.5 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 129.7 | -172.9 | 22.8 | -33.2 | 0 | 0 | 0 | 110.3 | | |
| 220 | K | 70.9 | Confident | 60.4 | Low | 196 Ų | 196 | 138.4 Ų | 138.4 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 134.7 | -176.9 | -68.6 | -175.7 | 178.4 | -178.6 | 0 | 110.2 | P218 K222 | P218-K220 PolarHBondContact O-N 3.49Å; K220-K222 PolarHBondContact O-N 3.47Å; K220-K222 VanDerWaalsContact O-N 3.1Å |
| 221 | P | 69.5 | Low | 61.6 | Low | 131 Ų | 131 | 137.9 Ų | 137.9 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 118.9 | 178.3 | -27.5 | 35.1 | 0 | 0 | 0 | 111.4 | R223 | P221-R223 PolarHBondContact O-N 3.28Š|
| 222 | K | 75.1 | Confident | 62.1 | Low | 208 Ų | 208 | 136.2 Ų | 136.2 | 90% | 0.904 | 73% | 0.729 | S | S | * | * | | | trans | -71.7 | 101 | -178.5 | -170 | 172.8 | -177.1 | 176.9 | 0 | 109.4 | K220 N224 | K220-K222 PolarHBondContact O-N 3.47Å; K220-K222 VanDerWaalsContact O-N 3.1Å; K222-N224 PolarHBondContact O-N 2.76Å |
| 223 | R | 73.6 | Confident | 62.4 | Low | 130 Ų | 130 | 141 Ų | 141 | 49% | 0.491 | 75% | 0.746 | S | S | . | * | | | trans | -50.2 | 135.1 | 174.9 | 179.8 | 177.2 | 169.9 | 93.5 | 1.3 | 110.5 | P221 T227 Q228 L229 | P221-R223 PolarHBondContact O-N 3.28Å; R223-T227 WeakPolarHBondContact CG-OG1 3.44Å; R223-T227 PolarHBondContact NE-O 2.76Å; R223-T227 PolarHBondContact NE-OG1 3.02Å; R223-T227 VanDerWaalsContact NE-OG1 3.15Å; R223-T227 PolarHBondContact NH2-O 3.39Å; R223-T227 PolarHBondContact NH2-OG1 2.9Å; R223-Q228 PolarHBondContact NH2-O 2.82Å; R223-L229 VanDerWaalsContact NH1-CD1 3.27Å; R223-L229 VanDerWaalsContact NH2-CG 3.33Å |
| 224 | N | 65.6 | Low | 62.5 | Low | 92 Ų | 92 | 140.3 Ų | 140.3 | 49% | 0.492 | 73% | 0.734 | S | S | . | * | | | trans | -67.6 | 129.1 | 178.4 | -178.1 | -26.8 | 0 | 0 | 0 | 109.4 | K222 N226 T227 | K222-N224 PolarHBondContact O-N 2.76Å; N224-N226 PolarHBondContact O-N 3.18Å; N224-N226 WeakPolarHBondContact OD1-CB 3.4Å; N224-N226 PolarHBondContact OD1-N 3.34Å; N224-T227 HydrophobicContact CB-CG2 4.38Å; N224-T227 PolarHBondContact O-N 3.04Å; N224-T227 PolarHBondContact O-OG1 3.36Å |
| 225 | P | 74.1 | Confident | 62.5 | Low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -24.4 | 179.6 | 23.6 | -35.1 | 0 | 0 | 0 | 113.6 | T227 | P225-T227 VanDerWaalsContact C-N 3.25Å; P225-T227 PolarHBondContact O-N 2.81Å |
| 226 | N | 64.9 | Low | 62.3 | Low | 140 Ų | 140 | 132.8 Ų | 132.8 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -2.6 | 179.2 | -58 | 14.9 | 0 | 0 | 0 | 113.1 | N224 Q228 | N224-N226 PolarHBondContact O-N 3.18Å; N224-N226 WeakPolarHBondContact OD1-CB 3.4Å; N224-N226 PolarHBondContact OD1-N 3.34Å; N226-Q228 PolarHBondContact O-N 3.47Å |
| 227 | T | 70.4 | Confident | 61.7 | Low | 64 Ų | 64 | 137.1 Ų | 137.1 | 39% | 0.393 | 73% | 0.732 | S | S | . | * | | | trans | -86.2 | 109.8 | 170 | 52 | 0 | 0 | 0 | 0 | 109.7 | R223 N224 P225 | R223-T227 WeakPolarHBondContact CG-OG1 3.44Å; R223-T227 PolarHBondContact NE-O 2.76Å; R223-T227 PolarHBondContact NE-OG1 3.02Å; R223-T227 VanDerWaalsContact NE-OG1 3.15Å; R223-T227 PolarHBondContact NH2-O 3.39Å; R223-T227 PolarHBondContact NH2-OG1 2.9Å; N224-T227 HydrophobicContact CB-CG2 4.38Å; N224-T227 PolarHBondContact O-N 3.04Å; N224-T227 PolarHBondContact O-OG1 3.36Å; P225-T227 VanDerWaalsContact C-N 3.25Å; P225-T227 PolarHBondContact O-N 2.81Å |
| 228 | Q | 65.3 | Low | 60.8 | Low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | | | trans | -74.3 | 153.8 | 161.8 | -64.2 | 178.9 | -2.1 | 0 | 0 | 109.3 | R223 N226 | R223-Q228 PolarHBondContact NH2-O 2.82Å; N226-Q228 PolarHBondContact O-N 3.47Å |
| 229 | L | 57.4 | Low | 59.6 | Low | 116 Ų | 116 | 145.8 Ų | 145.8 | 61% | 0.607 | 75% | 0.747 | S | S | * | * | | | trans | -134.1 | 119.3 | 170 | -112.9 | 175.4 | 0 | 0 | 0 | 105.2 | R223 V231 | R223-L229 VanDerWaalsContact NH1-CD1 3.27Å; R223-L229 VanDerWaalsContact NH2-CG 3.33Å; L229-V231 HydrophobicContact CB-CG2 4.22Å; L229-V231 PolarHBondContact O-N 3.49Å |
| 230 | S | 57.2 | Low | 58 | Low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | -77.4 | 76.8 | 179.2 | -50.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 231 | V | 53.4 | Low | 56.5 | Low | 116 Ų | 116 | 145.2 Ų | 145.2 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | | | trans | -131.7 | 58.7 | 174.7 | -68.6 | 0 | 0 | 0 | 0 | 110.4 | L229 F233 | L229-V231 HydrophobicContact CB-CG2 4.22Å; L229-V231 PolarHBondContact O-N 3.49Å; V231-F233 PolarHBondContact O-N 3.16Å |
| 232 | S | 55.5 | Low | 54.7 | Low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | | | trans | -80.7 | 104.3 | 158.9 | 49.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 233 | F | 49 | Very low | 52.6 | Low | 201 Ų | 201 | 138.7 Ų | 138.7 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | | | trans | -128.1 | 156.8 | 151 | -158.6 | -96.9 | 0 | 0 | 0 | 108.9 | V231 | V231-F233 PolarHBondContact O-N 3.16Š|
| 234 | D | 49.7 | Very low | 50.9 | Low | 102 Ų | 102 | 138.1 Ų | 138.1 | 55% | 0.545 | 76% | 0.759 | S | S | . | * | | | trans | -80 | 131.9 | -160.5 | -179.6 | 36.5 | 0 | 0 | 0 | 114 | S236 | D234-S236 VanDerWaalsContact C-N 3.34Å; D234-S236 WeakPolarHBondContact OD1-CB 3.49Å; D234-S236 PolarHBondContact OD1-N 3.02Å; D234-S236 VanDerWaalsContact OD1-N 3.08Å; D234-S236 PolarHBondContact OD1-OG 3.4Å; D234-S236 VanDerWaalsContact OD2-CB 3.25Å; D234-S236 WeakPolarHBondContact OD2-CB 3.49Å; D234-S236 PolarHBondContact OD2-N 3.29Å |
| 235 | E | 48.3 | Very low | 49.3 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -90.8 | 4.4 | 177.3 | -160.2 | 90.6 | -147.1 | 0 | 0 | 111.5 | | |
| 236 | S | 52.3 | Low | 47.3 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | | | trans | -90.4 | -11.2 | -165.5 | -48.8 | 0 | 0 | 0 | 0 | 116.4 | D234 I238 | D234-S236 VanDerWaalsContact C-N 3.34Å; D234-S236 WeakPolarHBondContact OD1-CB 3.49Å; D234-S236 PolarHBondContact OD1-N 3.02Å; D234-S236 VanDerWaalsContact OD1-N 3.08Å; D234-S236 PolarHBondContact OD1-OG 3.4Å; D234-S236 VanDerWaalsContact OD2-CB 3.25Å; D234-S236 WeakPolarHBondContact OD2-CB 3.49Å; D234-S236 PolarHBondContact OD2-N 3.29Å; S236-I238 PolarHBondContact O-N 3.45Å |
| 237 | Y | 46.5 | Very low | 46 | Very low | 214 Ų | 214 | 137.2 Ų | 137.2 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -72.5 | -19.8 | -167.9 | -170.3 | -109.8 | 0 | 0 | 0 | 115.9 | | |
| 238 | I | 46.6 | Very low | 44.6 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -124.4 | 73.3 | -172.8 | -42.4 | -177.7 | 0 | 0 | 0 | 112.8 | S236 | S236-I238 PolarHBondContact O-N 3.45Š|
| 239 | R | 37.3 | Very low | 43.1 | Very low | 246 Ų | 246 | 135.1 Ų | 135.1 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | | | trans | -134.1 | 130.2 | 152.9 | -147.9 | 168.5 | -159.5 | -111.2 | -1.5 | 111.9 | | |
| 240 | S | 35.5 | Very low | 42 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -70.9 | 159 | -157 | -44.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 241 | H | 39.1 | Very low | 40.7 | Very low | 200 Ų | 200 | 140 Ų | 140 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | | | trans | -38.7 | 137.1 | 170.1 | -49.6 | -87.5 | 0 | 0 | 0 | 114.4 | | |
| 242 | G | 31.5 | Very low | 39.5 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | | | trans | -171.7 | 94.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 243 | S | 32.3 | Very low | 38.4 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | | | trans | 73 | 152.9 | 166.2 | -151.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 244 | S | 36.1 | Very low | 37.4 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -101.1 | 148.9 | -173.3 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 245 | G | 32.3 | Very low | 36.3 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -169.9 | 68.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 246 | V | 33.1 | Very low | 35.5 | Very low | 140 Ų | 140 | 139 Ų | 139 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | 36.8 | 114.7 | 148.6 | -172.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 247 | C | 36.6 | Very low | 34.6 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -88.8 | 149.9 | 151 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 248 | P | 42.5 | Very low | 34.4 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | | | | -156 | 169.1 | 95.3 | 41.5 | -23.5 | 0 | 0 | 0 | 117.5 | | |
| 249 | S | 32.5 | Very low | 33.5 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | trans | 26.5 | 154.2 | 135.9 | -61.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 250 | K | 34.7 | Very low | 33.1 | Very low | 187 Ų | 187 | 128 Ų | 128 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | cis | -173.2 | 151.3 | -9 | -104.3 | 166.5 | -169.3 | 177.6 | 0 | 109.7 | | |
| 251 | H | 29.6 | Very low | 32.9 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | | | trans | 43.7 | 131.2 | 136.3 | -167.5 | -82.7 | 0 | 0 | 0 | 123 | | |
| 252 | L | 29.1 | Very low | 32.4 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | -159.8 | 163.5 | 147 | -133.3 | 73.1 | 0 | 0 | 0 | 115.1 | | |
| 253 | H | 31.5 | Very low | 32.9 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | trans | -45 | 147.8 | -173.4 | -54.4 | -54.4 | 0 | 0 | 0 | 117.8 | | |
| 254 | H | 27.8 | Very low | 32.9 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | cis | 97.6 | 115.7 | 34.5 | 174.2 | 84.7 | 0 | 0 | 0 | 115.2 | | |
| 255 | T | 27.6 | Very low | 33.6 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | -149.6 | 121.1 | 165.3 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 256 | T | 30.5 | Very low | 34.2 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | trans | 57.7 | 120.5 | 144.4 | 57.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 257 | S | 34 | Very low | 34.1 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | | | trans | -90.3 | -178.4 | 156.8 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 258 | P | 41.4 | Very low | 33.8 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | | | | -128.6 | 155.4 | 75.5 | 10.8 | 13 | 0 | 0 | 0 | 113.1 | | |
| 259 | C | 28.9 | Very low | 33.4 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 75% | 0.75 | 74% | 0.736 | S | S | * | * | | | cis | 97.9 | 149.4 | 40.4 | -156.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 260 | E | 29.7 | Very low | 33.4 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | | | trans | 83.2 | 138.6 | -170.5 | -56.9 | -75.5 | 29 | 0 | 0 | 115.6 | | |
| 261 | R | 29.4 | Very low | 33.4 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 75% | 0.751 | 74% | 0.742 | S | S | * | * | | | cis | -157.1 | 161.4 | -14.2 | -172.5 | 171.1 | -77.1 | -159.3 | 0.8 | 110.7 | | |
| 262 | N | 29.5 | Very low | 34.4 | Very low | 144 Ų | 144 | 132 Ų | 132 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | trans | -137.7 | 157.4 | 163.4 | -119.3 | -56.2 | 0 | 0 | 0 | 108 | | |
| 263 | P | 41.6 | Very low | 34.7 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | | | | -156.7 | 148.9 | 62.4 | 39.7 | -17.1 | 0 | 0 | 0 | 120.6 | | |
| 264 | S | 32.4 | Very low | 34.9 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | trans | 70.1 | -178.9 | 138.7 | -50.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 265 | P | 50.8 | Low | 35.5 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | | | | -132.1 | -158.6 | -85.6 | 45.4 | -27.8 | 0 | 0 | 0 | 111.3 | | |
| 266 | P | 45.4 | Very low | 35.9 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | | | cis | -121.3 | -159.1 | -8.2 | 30.2 | -4.6 | 0 | 0 | 0 | 110.8 | | |
| 267 | Q | 30.1 | Very low | 36.5 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | cis | -143.8 | 167.7 | 10 | -67.3 | 176.3 | -136.2 | 0 | 0 | 111.3 | | |
| 268 | S | 31.8 | Very low | 37.6 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | | | trans | 62.4 | 139.1 | 150.6 | -66 | 0 | 0 | 0 | 0 | 119.9 | | |
| 269 | D | 32.4 | Very low | 37.7 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | cis | -158.6 | 147.2 | -18.9 | -98.9 | -43.8 | 0 | 0 | 0 | 108.3 | | |
| 270 | E | 33.9 | Very low | 39.1 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | | | trans | 48.6 | 155.7 | 168.6 | -133 | 72.3 | 114.5 | 0 | 0 | 120.7 | | |
| 271 | S | 34.2 | Very low | 40.5 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | -149.2 | -163.5 | -175.7 | -66.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 272 | P | 50.1 | Low | 41.4 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | | -124.7 | 163.2 | -72.3 | 36.8 | -24.3 | 0 | 0 | 0 | 113.3 | | |
| 273 | T | 35 | Very low | 42.7 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | | | trans | -142.6 | 131.5 | 149.9 | 48.7 | 0 | 0 | 0 | 0 | 108 | | |
| 274 | D | 36.5 | Very low | 44 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | cis | 96 | 138.5 | 28.8 | -159.2 | 31.3 | 0 | 0 | 0 | 113.7 | | |
| 275 | D | 40.1 | Very low | 45.1 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | | | trans | 36.6 | 146.3 | -170.4 | -104.4 | -25.6 | 0 | 0 | 0 | 122.8 | | |
| 276 | C | 35.5 | Very low | 45.1 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | | | trans | -139.3 | 71.5 | 177.1 | -74.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 277 | E | 44.1 | Very low | 44.9 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | -90.1 | 147.5 | 176.4 | -78.5 | -64.3 | 167.2 | 0 | 0 | 113.2 | E279 | E277-E279 PolarHBondContact O-N 2.95Š|
| 278 | D | 57.6 | Low | 45.2 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | trans | -95.7 | 66.1 | -166.3 | -167.4 | 35.8 | 0 | 0 | 0 | 112.1 | P280 | D278-P280 WeakPolarHBondContact O-CD 3.41Š|
| 279 | E | 43.3 | Very low | 45.7 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -79.7 | 119.3 | -179.8 | -167.5 | 80.2 | -116.9 | 0 | 0 | 111.3 | E277 V281 | E277-E279 PolarHBondContact O-N 2.95Å; E279-V281 PolarHBondContact O-N 3.31Å |
| 280 | P | 58 | Low | 46.1 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 57% | 0.571 | 78% | 0.776 | S | S | * | * | | | trans | -71.7 | 120.4 | -179 | 28.7 | -33.8 | 0 | 0 | 0 | 111.2 | D278 Y282 | D278-P280 WeakPolarHBondContact O-CD 3.41Å; P280-Y282 WeakPolarHBondContact O-CD2 3.42Å; P280-Y282 PolarHBondContact O-N 2.91Å |
| 281 | V | 59.3 | Low | 46 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | | | trans | -52.7 | 102.5 | -174.2 | -177.9 | 0 | 0 | 0 | 0 | 112.9 | E279 I283 | E279-V281 PolarHBondContact O-N 3.31Å; V281-I283 PolarHBondContact O-N 2.84Å |
| 282 | Y | 47.5 | Very low | 46.3 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -68.4 | 123.3 | 159.4 | -73.4 | -89.5 | 0 | 0 | 0 | 108.5 | P280 E284 | P280-Y282 WeakPolarHBondContact O-CD2 3.42Å; P280-Y282 PolarHBondContact O-N 2.91Å; Y282-E284 PolarHBondContact O-N 2.98Å |
| 283 | I | 56.8 | Low | 45.5 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | trans | -80 | 108.6 | 177.5 | -62.1 | 177.6 | 0 | 0 | 0 | 108.6 | V281 M285 | V281-I283 PolarHBondContact O-N 2.84Å; I283-M285 PolarHBondContact O-N 3.35Å; I283-M285 VanDerWaalsContact O-N 3.17Å |
| 284 | E | 68.7 | Low | 45.4 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | -65 | 104.5 | 177.4 | -175.1 | -179.1 | 170.6 | 0 | 0 | 111.3 | Y282 G286 | Y282-E284 PolarHBondContact O-N 2.98Å; E284-G286 VanDerWaalsContact C-N 3.27Å; E284-G286 PolarHBondContact O-N 2.9Å |
| 285 | M | 56 | Low | 45.5 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | trans | -89.1 | 66.1 | 168.1 | -69.1 | -61.4 | -55.3 | 0 | 0 | 109.6 | I283 G287 | I283-M285 PolarHBondContact O-N 3.35Å; I283-M285 VanDerWaalsContact O-N 3.17Å; M285-G287 PolarHBondContact O-N 3.46Å |
| 286 | G | 50 | Low | 45.2 | Very low | 57 Ų | 57 | 143.1 Ų | 143.1 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | | | trans | -69.9 | 120.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E284 | E284-G286 VanDerWaalsContact C-N 3.27Å; E284-G286 PolarHBondContact O-N 2.9Å |
| 287 | G | 41.7 | Very low | 45 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | trans | -78.9 | 153.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M285 D289 | M285-G287 PolarHBondContact O-N 3.46Å; G287-D289 PolarHBondContact O-N 3.36Å |
| 288 | I | 37.3 | Very low | 44.6 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | -88.5 | 102.4 | 180 | -57.7 | 174 | 0 | 0 | 0 | 109.7 | I290 | I288-I290 HydrophobicContact CG2-CG1 3.99Š|
| 289 | D | 42.3 | Very low | 43.5 | Very low | 167 Ų | 167 | 145 Ų | 145 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | | | trans | -76.1 | 127.1 | 163.9 | -82.2 | -42.1 | 0 | 0 | 0 | 110.3 | G287 | G287-D289 PolarHBondContact O-N 3.36Š|
| 290 | I | 40.4 | Very low | 43.3 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -106.3 | 122.4 | -177.9 | -62.1 | 179 | 0 | 0 | 0 | 111.3 | I288 | I288-I290 HydrophobicContact CG2-CG1 3.99Š|
| 291 | G | 32 | Very low | 42.8 | Very low | 64 Ų | 64 | 148.4 Ų | 148.4 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | | | trans | 165.3 | 158.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 292 | P | 41.3 | Very low | 42.4 | Very low | 116 Ų | 116 | 151.3 Ų | 151.3 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | S | Bend | cis | -129.2 | 131.2 | -7.8 | 36.1 | -19.6 | 0 | 0 | 0 | 114.2 | | |
| 293 | R | 32.3 | Very low | 42.4 | Very low | 246 Ų | 246 | 147.9 Ų | 147.9 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | | | trans | -172.9 | 128.1 | 144 | -110.8 | 170.4 | -174.5 | 93.1 | -1.6 | 113.6 | | |
| 294 | E | 33 | Very low | 42.1 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -74.8 | 171.2 | 153.7 | -63.8 | -171.4 | 145 | 0 | 0 | 110.5 | | |
| 295 | P | 39.1 | Very low | 41.3 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | | | cis | -129.9 | 153.6 | 0.1 | 20.4 | 3.4 | 0 | 0 | 0 | 116.6 | | |
| 296 | L | 32.5 | Very low | 41.3 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | 51 | 111.6 | 142.9 | -58 | 169.3 | 0 | 0 | 0 | 120.1 | | |
| 297 | K | 31.6 | Very low | 41.7 | Very low | 186 Ų | 186 | 144.7 Ų | 144.7 | 81% | 0.809 | 79% | 0.789 | S | S | * | * | | | | 175.9 | 126.6 | 108.8 | -95.1 | 169 | -176.7 | -179.4 | 0 | 115.2 | | |
| 298 | I | 35 | Very low | 42.2 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 67% | 0.667 | 79% | 0.793 | S | S | * | * | | | | 55.9 | 119.3 | 128.5 | -56.1 | 171.9 | 0 | 0 | 0 | 119.7 | | |
| 299 | E | 35.6 | Very low | 43.4 | Very low | 178 Ų | 178 | 152.8 Ų | 152.8 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | 62.9 | 152.5 | 161.5 | -67.7 | 166.7 | 147.3 | 0 | 0 | 116.2 | | |
| 300 | D | 40 | Very low | 44.4 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | cis | -145.3 | -178.1 | 13.5 | -156.3 | 1.3 | 0 | 0 | 0 | 112.8 | | |
| 301 | E | 46.6 | Very low | 45 | Very low | 171 Ų | 171 | 153 Ų | 153 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | trans | -42 | 135.5 | -172.7 | -64.3 | -177.6 | 101.3 | 0 | 0 | 118.9 | | |
| 302 | E | 49.9 | Very low | 46.1 | Very low | 193 Ų | 193 | 158.7 Ų | 158.7 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | | | trans | -116 | 117.6 | 154.9 | -179 | 163.5 | -161.2 | 0 | 0 | 111.2 | | |
| 303 | P | 47.9 | Very low | 46.2 | Very low | 125 Ų | 125 | 162.4 Ų | 162.4 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -98.3 | 95.3 | -174.8 | 35.2 | -32.7 | 0 | 0 | 0 | 113.3 | | |
| 304 | G | 50.2 | Low | 46.7 | Very low | 63 Ų | 63 | 157 Ų | 157 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | | | trans | -149.8 | -39.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | S306 | G304-S306 PolarHBondContact O-N 2.95Š|
| 305 | E | 51.7 | Low | 47.4 | Very low | 203 Ų | 203 | 152.8 Ų | 152.8 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | | | trans | -92.2 | 104.1 | -165.7 | -61.1 | -172.1 | -172.9 | 0 | 0 | 113.2 | | |
| 306 | S | 56.8 | Low | 47.3 | Very low | 103 Ų | 103 | 155.5 Ų | 155.5 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | trans | -157.7 | 11.4 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 116.5 | G304 | G304-S306 PolarHBondContact O-N 2.95Š|
| 307 | V | 57.5 | Low | 47.8 | Very low | 117 Ų | 117 | 154.3 Ų | 154.3 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -123.1 | 3.1 | -167.5 | -170 | 0 | 0 | 0 | 0 | 114.2 | | |
| 308 | Y | 53.7 | Low | 48.1 | Very low | 213 Ų | 213 | 153 Ų | 153 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -135.7 | 16.3 | -175.9 | -84.9 | -72.4 | 0 | 0 | 0 | 117.5 | | |
| 309 | E | 61.3 | Low | 48.1 | Very low | 183 Ų | 183 | 154.6 Ų | 154.6 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -81.3 | -24.1 | 176.4 | -72.1 | -161.4 | 109.4 | 0 | 0 | 115.6 | M311 | E309-M311 PolarHBondContact O-N 3.46Š|
| 310 | E | 63.4 | Low | 48.1 | Very low | 190 Ų | 190 | 154.2 Ų | 154.2 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -74.2 | -21.7 | -166.2 | -164.8 | 174.4 | -173.3 | 0 | 0 | 114.5 | K312 | E310-K312 PolarHBondContact O-N 3.49Š|
| 311 | M | 53.4 | Low | 48.1 | Very low | 144 Ų | 144 | 158.8 Ų | 158.8 | 71% | 0.709 | 81% | 0.808 | S | S | * | * | | | trans | -81.3 | 40 | -175.5 | -67.3 | -56.9 | -54.1 | 0 | 0 | 114.2 | E309 Y313 | E309-M311 PolarHBondContact O-N 3.46Å; M311-Y313 HydrophobicContact CE-CE2 4.49Å; M311-Y313 PolarHBondContact O-N 3.37Å |
| 312 | K | 55.9 | Low | 47.4 | Very low | 185 Ų | 185 | 160.4 Ų | 160.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -84.4 | 99 | 178.4 | -172.4 | 170.2 | -176.5 | 170.6 | 0 | 111.9 | E310 | E310-K312 PolarHBondContact O-N 3.49Š|
| 313 | Y | 43.1 | Very low | 46.7 | Very low | 194 Ų | 194 | 158.1 Ų | 158.1 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | | | trans | -65.7 | 137.6 | 161.3 | -71.7 | -92.2 | 0 | 0 | 0 | 110.1 | M311 A315 | M311-Y313 HydrophobicContact CE-CE2 4.49Å; M311-Y313 PolarHBondContact O-N 3.37Å; Y313-A315 PolarHBondContact O-N 2.93Å |
| 314 | P | 42.9 | Very low | 46.4 | Very low | 131 Ų | 131 | 157.8 Ų | 157.8 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -67.6 | 92.7 | 165 | -20.2 | 33.9 | 0 | 0 | 0 | 110.5 | | |
| 315 | A | 46.3 | Very low | 46.4 | Very low | 93 Ų | 93 | 160.1 Ų | 160.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -77.6 | 164.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y313 | Y313-A315 PolarHBondContact O-N 2.93Š|
| 316 | L | 38.6 | Very low | 45.7 | Very low | 163 Ų | 163 | 156.6 Ų | 156.6 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -80.1 | 177.8 | -166.7 | -74 | 162.4 | 0 | 0 | 0 | 114.4 | | |
| 317 | D | 42.3 | Very low | 44.5 | Very low | 137 Ų | 137 | 155.1 Ų | 155.1 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | | | trans | -42.3 | 149.1 | 177.8 | -53.3 | -102.6 | 0 | 0 | 0 | 115.9 | | |
| 318 | D | 38.8 | Very low | 43.4 | Very low | 157 Ų | 157 | 155.6 Ų | 155.6 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | | | | -166.8 | 176.4 | 116.9 | -103.1 | -29.5 | 0 | 0 | 0 | 111.2 | | |
| 319 | M | 33.8 | Very low | 42.3 | Very low | 165 Ų | 165 | 157 Ų | 157 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | 78.4 | 49 | 175.7 | -50.9 | -49.1 | -54.5 | 0 | 0 | 118 | | |
| 320 | E | 36.5 | Very low | 41.4 | Very low | 170 Ų | 170 | 153.8 Ų | 153.8 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | | 2.8 | 124.8 | 129.9 | -174.9 | -178.7 | -164.7 | 0 | 0 | 117.7 | | |
| 321 | Y | 39.8 | Very low | 40 | Very low | 234 Ų | 234 | 148.7 Ų | 148.7 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | | | trans | -124.1 | 122 | 154.5 | -119 | -93.7 | 0 | 0 | 0 | 110.1 | | |
| 322 | R | 31.7 | Very low | 39.4 | Very low | 205 Ų | 205 | 147.9 Ų | 147.9 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | | | trans | -30 | 129.4 | -169.8 | -65.1 | 179.3 | 174.3 | -83.3 | 1.4 | 117.3 | | |
| 323 | T | 35.8 | Very low | 38.3 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | | | | -146.4 | 108.3 | 125.8 | -68.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 324 | D | 40.6 | Very low | 38 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 63% | 0.631 | 80% | 0.8 | S | S | * | * | | | trans | -115.3 | 136.5 | 175.9 | -176.9 | 44.8 | 0 | 0 | 0 | 106.7 | V326 | D324-V326 PolarHBondContact OD1-N 2.68Š|
| 325 | P | 50.7 | Low | 37.7 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | | | | -139.6 | 127 | 87.4 | 30.3 | -11.5 | 0 | 0 | 0 | 116.2 | | |
| 326 | V | 37.6 | Very low | 37.2 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | | | trans | 67.6 | 123.6 | 130.7 | -180 | 0 | 0 | 0 | 0 | 118.4 | D324 | D324-V326 PolarHBondContact OD1-N 2.68Š|
| 327 | G | 31.9 | Very low | 37.3 | Very low | 72 Ų | 72 | 138.8 Ų | 138.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 166.2 | 58.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | R329 | G327-R329 PolarHBondContact O-N 2.69Š|
| 328 | C | 32.9 | Very low | 37 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 86% | 0.858 | 80% | 0.8 | S | S | * | * | | | trans | -56.8 | 126.5 | 179 | -51.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 329 | R | 31.1 | Very low | 37 | Very low | 243 Ų | 243 | 141.3 Ų | 141.3 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | trans | -159.9 | 132 | 139.9 | -111.8 | 151.8 | -161.4 | -76 | -3.5 | 115.3 | G327 | G327-R329 PolarHBondContact O-N 2.69Š|
| 330 | S | 42.2 | Very low | 37.7 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -72.6 | 162.9 | 163.1 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 331 | A | 35.3 | Very low | 38.1 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 68.5 | 137.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | P333 | A331-P333 WeakPolarHBondContact O-CD 3.13Š|
| 332 | C | 40.6 | Very low | 38.3 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | | | trans | -73.6 | 135.7 | 172.8 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 333 | P | 32.5 | Very low | 38.7 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | trans | -126.5 | 113.5 | 162.2 | 31.6 | -14.1 | 0 | 0 | 0 | 110.7 | A331 P335 | A331-P333 WeakPolarHBondContact O-CD 3.13Å; P333-P335 WeakPolarHBondContact O-CD 3.32Å |
| 334 | T | 35.5 | Very low | 38.5 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | trans | -87 | 116.4 | 165.8 | -57.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 335 | P | 36.7 | Very low | 38.3 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | | | trans | -95.5 | 104.7 | 170.4 | 33.9 | -25.6 | 0 | 0 | 0 | 109.9 | P333 | P333-P335 WeakPolarHBondContact O-CD 3.32Š|
| 336 | A | 35.8 | Very low | 37.2 | Very low | 91 Ų | 91 | 128.3 Ų | 128.3 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -104.1 | 129.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 337 | P | 42.6 | Very low | 36.9 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | -100.6 | 123.3 | 173.2 | 4.1 | 16.7 | 0 | 0 | 0 | 112.8 | | |
| 338 | Y | 34 | Very low | 36.9 | Very low | 235 Ų | 235 | 129.7 Ų | 129.7 | 92% | 0.922 | 76% | 0.758 | S | S | * | * | | | trans | 69.7 | 161.2 | 157.4 | -69.8 | -82.2 | 0 | 0 | 0 | 120.2 | | |
| 339 | D | 39.6 | Very low | 37.7 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 60% | 0.604 | 75% | 0.754 | S | S | * | * | | | trans | -168.3 | 151.5 | -146.1 | 168.1 | 60.5 | 0 | 0 | 0 | 108.1 | E341 | D339-E341 PolarHBondContact OD1-N 3.28Å; D339-E341 WeakPolarHBondContact OD2-CB 3.46Å; D339-E341 WeakPolarHBondContact OD2-CG 3.43Å; D339-E341 PolarHBondContact OD2-N 3.34Å |
| 340 | P | 48.3 | Very low | 38.1 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | | | | -144.6 | 106.7 | 112.9 | 33.3 | -15.5 | 0 | 0 | 0 | 115.1 | | |
| 341 | E | 45.3 | Very low | 37.8 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 51% | 0.505 | 75% | 0.749 | S | S | . | * | | | | 40.5 | 136.5 | 109 | -91 | -87.6 | 131 | 0 | 0 | 119.2 | D339 L343 | D339-E341 PolarHBondContact OD1-N 3.28Å; D339-E341 WeakPolarHBondContact OD2-CB 3.46Å; D339-E341 WeakPolarHBondContact OD2-CG 3.43Å; D339-E341 PolarHBondContact OD2-N 3.34Å; E341-L343 VanDerWaalsContact CD-N 3.28Å; E341-L343 PolarHBondContact OE1-N 3.48Å; E341-L343 WeakPolarHBondContact OE2-CA 3.15Å; E341-L343 WeakPolarHBondContact OE2-CD2 3.43Å; E341-L343 WeakPolarHBondContact OE2-CG 3.39Å; E341-L343 PolarHBondContact OE2-N 2.9Å |
| 342 | P | 44.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | | -135.7 | 147.3 | 80.7 | 38 | -26.4 | 0 | 0 | 0 | 117.7 | | |
| 343 | L | 38.8 | Very low | 38.8 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 45% | 0.45 | 75% | 0.75 | S | S | . | * | | | trans | -38 | 139.4 | -178.6 | -63.1 | 176.9 | 0 | 0 | 0 | 117 | E341 R345 | E341-L343 VanDerWaalsContact CD-N 3.28Å; E341-L343 PolarHBondContact OE1-N 3.48Å; E341-L343 WeakPolarHBondContact OE2-CA 3.15Å; E341-L343 WeakPolarHBondContact OE2-CD2 3.43Å; E341-L343 WeakPolarHBondContact OE2-CG 3.39Å; E341-L343 PolarHBondContact OE2-N 2.9Å; L343-R345 HydrophobicContact CD2-CG 4.43Å |
| 344 | S | 32 | Very low | 39.4 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | | -169.8 | 92.4 | 103.5 | -80.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 345 | R | 35.7 | Very low | 39.9 | Very low | 198 Ų | 198 | 134 Ų | 134 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | | 27.3 | 129.2 | 126.3 | -52.6 | 175.7 | -171.4 | -141 | -3.9 | 116.9 | L343 | L343-R345 HydrophobicContact CD2-CG 4.43Š|
| 346 | C | 28.6 | Very low | 40.3 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | | | | -162 | 125.4 | 61.5 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 347 | S | 30.2 | Very low | 41.6 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | | | | 77.9 | 83.8 | 55.1 | -54.9 | 0 | 0 | 0 | 0 | 116 | | |
| 348 | T | 33.7 | Very low | 42.5 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | | | | 173.2 | 144 | 115 | 32.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 349 | P | 48.5 | Very low | 43.8 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | | | trans | -104.9 | 146.6 | 174 | 37.3 | -31.1 | 0 | 0 | 0 | 113.3 | | |
| 350 | R | 39.8 | Very low | 44.5 | Very low | 235 Ų | 235 | 130.4 Ų | 130.4 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | | | trans | -159.3 | 119.9 | 162.1 | -120.6 | 171.7 | -178 | 136.2 | 0.8 | 114.4 | | |
| 351 | N | 35.5 | Very low | 45.1 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | | | trans | 54.1 | 107 | 155.9 | -65.9 | -28.7 | 0 | 0 | 0 | 121.8 | | |
| 352 | I | 41.6 | Very low | 45.6 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | | | | 70.8 | 130.1 | 130 | -61.8 | 173 | 0 | 0 | 0 | 117 | | |
| 353 | P | 54.9 | Low | 46.3 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | -92.9 | 143.9 | -158.1 | 35.8 | -35.6 | 0 | 0 | 0 | 114.5 | | |
| 354 | L | 45.3 | Very low | 47.2 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | | | trans | -144.3 | 100 | 156.7 | -158.4 | 71.7 | 0 | 0 | 0 | 111.4 | D356 | L354-D356 PolarHBondContact O-N 3.42Š|
| 355 | C | 47.4 | Very low | 48.4 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | | | trans | 43.5 | 68 | 157.5 | -58.2 | 0 | 0 | 0 | 0 | 117.9 | I357 | C355-I357 PolarHBondContact O-N 2.72Š|
| 356 | D | 44.6 | Very low | 49.4 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | | | trans | -74.7 | 89.7 | 164.2 | -160.2 | 6.7 | 0 | 0 | 0 | 109.7 | L354 | L354-D356 PolarHBondContact O-N 3.42Š|
| 357 | I | 62.2 | Low | 50.7 | Low | 133 Ų | 133 | 132.9 Ų | 132.9 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 122.4 | -178.8 | -60.3 | 173.3 | 0 | 0 | 0 | 107.9 | C355 A359 | C355-I357 PolarHBondContact O-N 2.72Å; I357-A359 PolarHBondContact O-N 2.89Å |
| 358 | P | 62.6 | Low | 52.2 | Low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 128.7 | 177.5 | 24.4 | -33.6 | 0 | 0 | 0 | 109.6 | | |
| 359 | A | 61.4 | Low | 53.6 | Low | 72 Ų | 72 | 136.8 Ų | 136.8 | 60% | 0.595 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 134.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I357 F361 P362 | I357-A359 PolarHBondContact O-N 2.89Å; A359-F361 PolarHBondContact O-N 3.12Å; A359-P362 WeakPolarHBondContact O-CD 3.39Å |
| 360 | P | 52.8 | Low | 54.4 | Low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -64.1 | -11.3 | -159.3 | 22.8 | -34.8 | 0 | 0 | 0 | 115.5 | | |
| 361 | F | 62 | Low | 55.4 | Low | 147 Ų | 147 | 133.2 Ų | 133.2 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | | | trans | -140.6 | 82.1 | 175.8 | -64.5 | -65.5 | 0 | 0 | 0 | 111.4 | A359 N363 L364 | A359-F361 PolarHBondContact O-N 3.12Å; F361-N363 PolarHBondContact O-N 2.76Å; F361-L364 HydrophobicContact CB-CD1 4.07Å; F361-L364 HydrophobicContact CB-CG 4.09Å; F361-L364 HydrophobicContact CD1-CD1 3.46Å; F361-L364 VanDerWaalsContact CD1-CD1 3.46Å; F361-L364 HydrophobicContact CD1-CD2 4.15Å; F361-L364 HydrophobicContact CD1-CG 3.8Å; F361-L364 HydrophobicContact CE1-CD1 4Å; F361-L364 HydrophobicContact CG-CD1 3.75Å; F361-L364 HydrophobicContact CG-CG 4.18Å |
| 362 | P | 56 | Low | 56.4 | Low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -72.7 | 95.5 | 169.9 | 31.1 | -29.9 | 0 | 0 | 0 | 108.9 | A359 | A359-P362 WeakPolarHBondContact O-CD 3.39Š|
| 363 | N | 59.4 | Low | 57.4 | Low | 120 Ų | 120 | 132.9 Ų | 132.9 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | | | trans | 62.5 | 69.5 | 172.4 | -59.8 | -42 | 0 | 0 | 0 | 117.2 | F361 L365 T366 | F361-N363 PolarHBondContact O-N 2.76Å; N363-L365 PolarHBondContact O-N 2.89Å; N363-T366 HydrophobicContact CB-CG2 4.12Å; N363-T366 PolarHBondContact O-OG1 3.16Å |
| 364 | L | 58.1 | Low | 57.7 | Low | 129 Ų | 129 | 135.2 Ų | 135.2 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 8.5 | 163.9 | -76.3 | 178.1 | 0 | 0 | 0 | 115.2 | F361 | F361-L364 HydrophobicContact CB-CD1 4.07Å; F361-L364 HydrophobicContact CB-CG 4.09Å; F361-L364 HydrophobicContact CD1-CD1 3.46Å; F361-L364 VanDerWaalsContact CD1-CD1 3.46Å; F361-L364 HydrophobicContact CD1-CD2 4.15Å; F361-L364 HydrophobicContact CD1-CG 3.8Å; F361-L364 HydrophobicContact CE1-CD1 4Å; F361-L364 HydrophobicContact CG-CD1 3.75Å; F361-L364 HydrophobicContact CG-CG 4.18Å |
| 365 | L | 57.1 | Low | 58.4 | Low | 144 Ų | 144 | 132.6 Ų | 132.6 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | -1.6 | -174.7 | -69.4 | 176.2 | 0 | 0 | 0 | 114.9 | N363 | N363-L365 PolarHBondContact O-N 2.89Š|
| 366 | T | 55.7 | Low | 58.6 | Low | 103 Ų | 103 | 133.6 Ų | 133.6 | 63% | 0.632 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -71.5 | -32.1 | 169.9 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | N363 R368 | N363-T366 HydrophobicContact CB-CG2 4.12Å; N363-T366 PolarHBondContact O-OG1 3.16Å; T366-R368 VanDerWaalsContact C-N 3.27Å; T366-R368 PolarHBondContact O-N 3.14Å; T366-R368 VanDerWaalsContact O-N 3.15Å |
| 367 | H | 56.1 | Low | 58.7 | Low | 173 Ų | 173 | 129.6 Ų | 129.6 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | | | trans | -87.2 | 56.7 | 173.5 | -67.4 | -70.2 | 0 | 0 | 0 | 112.7 | | |
| 368 | R | 60.6 | Low | 58 | Low | 209 Ų | 209 | 129.2 Ų | 129.2 | 79% | 0.789 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 126 | 149.7 | -76.1 | -175.9 | 174.6 | 173.4 | -0.7 | 106.9 | T366 | T366-R368 VanDerWaalsContact C-N 3.27Å; T366-R368 PolarHBondContact O-N 3.14Å; T366-R368 VanDerWaalsContact O-N 3.15Å |
| 369 | P | 63.1 | Low | 57 | Low | 103 Ų | 103 | 128.8 Ų | 128.8 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 143.2 | 166.9 | 27.5 | -33.4 | 0 | 0 | 0 | 108.2 | L371 | P369-L371 PolarHBondContact O-N 3.46Å; P369-L371 VanDerWaalsContact O-N 3.13Å |
| 370 | P | 65.3 | Low | 56.1 | Low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 124.5 | 171 | 25.1 | -32.6 | 0 | 0 | 0 | 107.8 | L372 | P370-L372 PolarHBondContact O-N 3.23Š|
| 371 | L | 62 | Low | 55.2 | Low | 156 Ų | 156 | 134.7 Ų | 134.7 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 140.1 | 173.8 | -66.9 | 175.7 | 0 | 0 | 0 | 108.2 | P369 V373 | P369-L371 PolarHBondContact O-N 3.46Å; P369-L371 VanDerWaalsContact O-N 3.13Å; L371-V373 PolarHBondContact O-N 3.03Å |
| 372 | L | 57.2 | Low | 54.3 | Low | 152 Ų | 152 | 131.4 Ų | 131.4 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | -65.5 | 87.8 | 177.3 | -74.5 | 168.6 | 0 | 0 | 0 | 109.5 | P370 F374 | P370-L372 PolarHBondContact O-N 3.23Å; L372-F374 HydrophobicContact CB-CE2 4.26Å; L372-F374 VanDerWaalsContact O-CD2 3.3Å; L372-F374 WeakPolarHBondContact O-CD2 3.48Å; L372-F374 PolarHBondContact O-N 3.33Å |
| 373 | V | 61 | Low | 54.1 | Low | 132 Ų | 132 | 130.9 Ų | 130.9 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | | | trans | -67.8 | 91.1 | 164.1 | 179.4 | 0 | 0 | 0 | 0 | 106 | L371 | L371-V373 PolarHBondContact O-N 3.03Š|
| 374 | F | 62.8 | Low | 52.8 | Low | 169 Ų | 169 | 131.9 Ų | 131.9 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | trans | -53.8 | 136.3 | 165.1 | -71.9 | -92 | 0 | 0 | 0 | 108.1 | L372 | L372-F374 HydrophobicContact CB-CE2 4.26Å; L372-F374 VanDerWaalsContact O-CD2 3.3Å; L372-F374 WeakPolarHBondContact O-CD2 3.48Å; L372-F374 PolarHBondContact O-N 3.33Å |
| 375 | P | 59.8 | Low | 52.1 | Low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | trans | -56.6 | 138.8 | 169 | 26.5 | -33.7 | 0 | 0 | 0 | 108 | A377 | P375-A377 PolarHBondContact O-N 3.44Š|
| 376 | P | 51.5 | Low | 51.6 | Low | 125 Ų | 125 | 131.7 Ų | 131.7 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | trans | -60 | 113.8 | -176.6 | 24 | -33.2 | 0 | 0 | 0 | 109.3 | | |
| 377 | A | 46.8 | Very low | 51 | Low | 84 Ų | 84 | 135.2 Ų | 135.2 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 136.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | P375 A379 | P375-A377 PolarHBondContact O-N 3.44Å; A377-A379 PolarHBondContact O-N 2.87Å; A377-A379 VanDerWaalsContact O-N 3.14Å |
| 378 | P | 47.2 | Very low | 50.3 | Low | 125 Ų | 125 | 131.8 Ų | 131.8 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 124.4 | 175.6 | -27.8 | 35.5 | 0 | 0 | 0 | 110.3 | Q380 | P378-Q380 PolarHBondContact O-N 3.19Š|
| 379 | A | 41.1 | Very low | 49.7 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 136.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A377 C381 | A377-A379 PolarHBondContact O-N 2.87Å; A377-A379 VanDerWaalsContact O-N 3.14Å; A379-C381 PolarHBondContact O-N 3.38Å |
| 380 | Q | 42.4 | Very low | 48.7 | Very low | 177 Ų | 177 | 128.2 Ų | 128.2 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 130.9 | 178.5 | -63.9 | -156.7 | -10.2 | 0 | 0 | 110.6 | P378 | P378-Q380 PolarHBondContact O-N 3.19Š|
| 381 | C | 35 | Very low | 47.9 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 91% | 0.905 | 76% | 0.758 | S | S | * | * | | | trans | -99.6 | 103.6 | 154.6 | -159.2 | 0 | 0 | 0 | 0 | 107.7 | A379 | A379-C381 PolarHBondContact O-N 3.38Š|
| 382 | S | 42.1 | Very low | 47.3 | Very low | 78 Ų | 78 | 125.8 Ų | 125.8 | 55% | 0.545 | 76% | 0.755 | S | S | . | * | | | trans | -95.8 | -178.9 | 167.8 | -43.1 | 0 | 0 | 0 | 0 | 109 | | |
| 383 | P | 52.2 | Low | 46.7 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | | | | -126.8 | -165.1 | -63.8 | 34 | -16.4 | 0 | 0 | 0 | 111.2 | | |
| 384 | N | 30.8 | Very low | 45.7 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | trans | 87.2 | 162.8 | 165.2 | -46.7 | -24 | 0 | 0 | 0 | 117.6 | | |
| 385 | S | 45.2 | Very low | 44.6 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | | | trans | 60.4 | 117.7 | -164.3 | 16.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 386 | D | 45.9 | Very low | 43.6 | Very low | 153 Ų | 153 | 122.4 Ų | 122.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | cis | 58.9 | 86.9 | 28 | -156.8 | 22.4 | 0 | 0 | 0 | 113.3 | | |
| 387 | E | 43.2 | Very low | 43.1 | Very low | 178 Ų | 178 | 125.3 Ų | 125.3 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | -158.7 | 90.2 | 151.7 | -173.1 | 67.9 | -154.5 | 0 | 0 | 107.1 | | |
| 388 | S | 40.9 | Very low | 42.8 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | -97.4 | 146.5 | 155.2 | -141.3 | 0 | 0 | 0 | 0 | 105.8 | | |
| 389 | P | 48.9 | Very low | 42.5 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 61% | 0.61 | 75% | 0.752 | S | S | * | * | | | | -161.8 | -166.2 | 63.7 | 41.7 | -18.3 | 0 | 0 | 0 | 117.4 | | |
| 390 | L | 41.3 | Very low | 42.2 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | 70.7 | 106.4 | 155.6 | -63 | -175.2 | 0 | 0 | 0 | 118.4 | | |
| 391 | T | 49.5 | Very low | 42.3 | Very low | 111 Ų | 111 | 130 Ų | 130 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | | | | 75.7 | 154.4 | 74.8 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 392 | P | 49.1 | Very low | 42.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | cis | -99 | 159.6 | 24.9 | 41.3 | -36.6 | 0 | 0 | 0 | 113.9 | | |
| 393 | L | 44.1 | Very low | 41.8 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | | | cis | 71.2 | 148 | 40.5 | -150.7 | 76.9 | 0 | 0 | 0 | 112.8 | | |
| 394 | D | 40.6 | Very low | 41 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | 74.5 | 146 | 176.7 | -68.3 | 0.2 | 0 | 0 | 0 | 118.5 | | |
| 395 | V | 38.8 | Very low | 41.9 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | | | cis | -154.2 | 133.1 | -24.7 | 114.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 396 | A | 39.4 | Very low | 41.1 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | | | trans | 47.7 | 169.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 397 | K | 39.8 | Very low | 40.3 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | 69.2 | 108.4 | 153.6 | -77.2 | -176.3 | 174.5 | -179.6 | 0 | 121.5 | | |
| 398 | L | 40.5 | Very low | 39.8 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 64% | 0.644 | 73% | 0.734 | S | S | * | * | | | | 51.2 | 123 | 118.1 | -59.9 | 175.1 | 0 | 0 | 0 | 119.9 | M400 | L398-M400 HydrophobicContact CB-CG 4.33Å; L398-M400 HydrophobicContact CD1-CG 4.38Å; L398-M400 HydrophobicContact CD1-SD 4.03Å; L398-M400 PolarHBondContact O-N 3Å |
| 399 | P | 42 | Very low | 39.6 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | | | trans | -71.9 | 103.5 | 149.1 | 31.3 | -30.1 | 0 | 0 | 0 | 109.4 | | |
| 400 | M | 35.2 | Very low | 39.5 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | trans | -112 | 142.7 | 163.7 | -83.3 | -176.5 | 64.3 | 0 | 0 | 109.6 | L398 | L398-M400 HydrophobicContact CB-CG 4.33Å; L398-M400 HydrophobicContact CD1-CG 4.38Å; L398-M400 HydrophobicContact CD1-SD 4.03Å; L398-M400 PolarHBondContact O-N 3Å |
| 401 | L | 43.4 | Very low | 39.2 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 74% | 0.741 | S | S | * | * | | | trans | -130.7 | 106.2 | -166.9 | -171.3 | 164.1 | 0 | 0 | 0 | 110.4 | | |
| 402 | E | 33.6 | Very low | 38.6 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | | | trans | -154.1 | 148.6 | 171.1 | -89 | -170.8 | 106.8 | 0 | 0 | 106.5 | | |
| 403 | N | 34.2 | Very low | 38 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | | | cis | -159.2 | 144 | 11.6 | -122.5 | -29.8 | 0 | 0 | 0 | 113.5 | | |
| 404 | Q | 35.7 | Very low | 37.3 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | 62.8 | 166.7 | 148.1 | -60.4 | -39.1 | -51.7 | 0 | 0 | 121.4 | | |
| 405 | P | 49 | Very low | 37 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 62% | 0.623 | 75% | 0.747 | S | S | * | * | | | cis | -137.8 | 150 | -39.8 | 33.7 | -17.7 | 0 | 0 | 0 | 115.2 | | |
| 406 | Y | 27.7 | Very low | 37.2 | Very low | 217 Ų | 217 | 135.1 Ų | 135.1 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | | | | -176.1 | 145.7 | 115.3 | -126.2 | -111.6 | 0 | 0 | 0 | 115.5 | | |
| 407 | S | 30 | Very low | 37.7 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | | | trans | 49.5 | 107 | 157.5 | 50.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 408 | K | 31.7 | Very low | 38.1 | Very low | 204 Ų | 204 | 133.5 Ų | 133.5 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | | | | 40.7 | 139 | 118.8 | -55.8 | 168.9 | -175.5 | 178.2 | 0 | 119.4 | | |
| 409 | S | 37.9 | Very low | 37.7 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | cis | 169.9 | 174.9 | -5.4 | 51.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 410 | P | 47 | Very low | 37 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | | | cis | -138.6 | -178.1 | -5.3 | 36.5 | -14 | 0 | 0 | 0 | 118.1 | | |
| 411 | T | 34.2 | Very low | 36.7 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | | | trans | 81.5 | 106.4 | 147.5 | 29.2 | 0 | 0 | 0 | 0 | 126.1 | | |
| 412 | S | 37 | Very low | 36.3 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | | 51.5 | 144.5 | 129.9 | 55.5 | 0 | 0 | 0 | 0 | 124.2 | | |
| 413 | S | 36.6 | Very low | 36.1 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | | | cis | -173.3 | 158.9 | -5.8 | 51 | 0 | 0 | 0 | 0 | 114.8 | | |
| 414 | N | 28.7 | Very low | 36.1 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | 74.8 | 116 | 154.2 | -78.3 | 26.9 | 0 | 0 | 0 | 124.5 | | |
| 415 | E | 34.5 | Very low | 35.9 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | | | | 49.8 | 155.9 | 118.3 | -81.1 | -134.8 | 117.6 | 0 | 0 | 124.4 | | |
| 416 | P | 43.9 | Very low | 35.3 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | | | cis | -138.8 | -133 | -27.8 | 40.6 | -18.2 | 0 | 0 | 0 | 114.5 | | |
| 417 | P | 49.9 | Very low | 35.4 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -122.6 | -149.8 | -137 | 39 | -12.5 | 0 | 0 | 0 | 111.4 | | |
| 418 | P | 46.9 | Very low | 35.5 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | | | cis | -134.9 | -155.4 | -7.1 | 44.4 | -24.9 | 0 | 0 | 0 | 114.2 | | |
| 419 | S | 32.1 | Very low | 35.3 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -136.6 | 168.2 | 165 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 420 | A | 28.8 | Very low | 35.6 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | | | trans | -112.1 | 136.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 421 | H | 28.8 | Very low | 34.6 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | trans | -154.7 | 159.8 | -172.3 | -142.1 | 16.2 | 0 | 0 | 0 | 111.9 | | |
| 422 | I | 33.4 | Very low | 34.7 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | | | trans | 79.1 | 117.5 | 148.7 | -74.8 | 166.1 | 0 | 0 | 0 | 121.7 | | |
| 423 | R | 29.7 | Very low | 34.4 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | | | trans | 60.4 | 162.6 | 140.6 | -66.7 | 178.3 | 72 | -157.9 | 6.1 | 123 | E425 | R423-E425 IonicContact CZ-OE1 2.65Å; R423-E425 IonicContact CZ-OE2 3.92Å; R423-E425 IonicContact NE-OE2 3.96Å; R423-E425 IonicContact NH1-OE1 2.69Å; R423-E425 IonicContact NH2-OE1 2.68Å; R423-E425 PolarHBondContact NH2-OE1 3.01Å; R423-E425 IonicContact NH2-OE2 2.75Å; R423-E425 PolarHBondContact NH2-OE2 3.24Å |
| 424 | R | 35.1 | Very low | 34.2 | Very low | 227 Ų | 227 | 137.1 Ų | 137.1 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | | | trans | -119.5 | 145.6 | 171.6 | -58.4 | 171.3 | 172 | 87 | -1 | 107.6 | | |
| 425 | E | 30.3 | Very low | 34.4 | Very low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | trans | 174.6 | 144.2 | 157.2 | -94.3 | 131 | 53.4 | 0 | 0 | 106 | R423 | R423-E425 IonicContact CZ-OE1 2.65Å; R423-E425 IonicContact CZ-OE2 3.92Å; R423-E425 IonicContact NE-OE2 3.96Å; R423-E425 IonicContact NH1-OE1 2.69Å; R423-E425 IonicContact NH2-OE1 2.68Å; R423-E425 PolarHBondContact NH2-OE1 3.01Å; R423-E425 IonicContact NH2-OE2 2.75Å; R423-E425 PolarHBondContact NH2-OE2 3.24Å |
| 426 | L | 36.1 | Very low | 34.3 | Very low | 154 Ų | 154 | 131 Ų | 131 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | cis | -157.6 | 160.5 | -12.4 | -109.6 | 172.7 | 0 | 0 | 0 | 107.3 | | |
| 427 | T | 31.1 | Very low | 33.9 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | 158.1 | 132.7 | 144.1 | -72.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 428 | A | 32 | Very low | 33.1 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | trans | 61.6 | 141.6 | 158 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 429 | T | 27.5 | Very low | 32.5 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | -77 | 176.3 | 163 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 430 | P | 43.3 | Very low | 32.7 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | cis | -142 | 162.5 | 15.1 | 44.6 | -26.1 | 0 | 0 | 0 | 118.8 | | |
| 431 | T | 27.3 | Very low | 33.3 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | | 44.7 | 120.2 | 128.4 | -50 | 0 | 0 | 0 | 0 | 123 | | |
| 432 | L | 35.6 | Very low | 34.1 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | 94.7 | 140.8 | 145.6 | -83.5 | 172.1 | 0 | 0 | 0 | 124.3 | | |
| 433 | T | 31.2 | Very low | 34.3 | Very low | 116 Ų | 116 | 138 Ų | 138 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | | | trans | 78.7 | 115.9 | 152.4 | 44.8 | 0 | 0 | 0 | 0 | 123.9 | | |
| 434 | V | 32.1 | Very low | 35 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | | 83.4 | 122.6 | 129.5 | 173.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 435 | S | 33 | Very low | 34.8 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | 55.9 | 111.2 | 153 | -159.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 436 | G | 31.8 | Very low | 35.1 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | trans | -146.1 | 131 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 437 | R | 36.3 | Very low | 34.9 | Very low | 249 Ų | 249 | 128.7 Ų | 128.7 | 94% | 0.94 | 81% | 0.81 | S | S | * | * | | | | -178.7 | 151.1 | 124.5 | -96.3 | 176.5 | 95.6 | 178.5 | 6.3 | 112.8 | | |
| 438 | S | 32.1 | Very low | 34.9 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | 75.2 | 102.1 | 164.4 | 74.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 439 | S | 34 | Very low | 34.9 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | trans | -147.2 | 159.6 | 138.9 | 57.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 440 | A | 37.3 | Very low | 35 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | -113.2 | 157.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 441 | P | 41.7 | Very low | 34.4 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -77.4 | 158.5 | 179.1 | 31.9 | -35.7 | 0 | 0 | 0 | 113.7 | | |
| 442 | P | 44.7 | Very low | 34.5 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | trans | -94.8 | 171.9 | -169.9 | 37.9 | -37.5 | 0 | 0 | 0 | 115.5 | | |
| 443 | L | 37.9 | Very low | 34.3 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -106.2 | 148.4 | 173 | -59.4 | 174.5 | 0 | 0 | 0 | 111.8 | | |
| 444 | P | 44 | Very low | 34.3 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -90.6 | 160.3 | 171.4 | 35.9 | -33.9 | 0 | 0 | 0 | 113.4 | | |
| 445 | C | 31.3 | Very low | 34.2 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 90% | 0.899 | 80% | 0.795 | S | S | * | * | | | trans | -121.9 | 155.6 | -175 | -73.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 446 | A | 37.9 | Very low | 34 | Very low | 99 Ų | 99 | 133 Ų | 133 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -41.2 | 155.5 | -175 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 447 | L | 31.9 | Very low | 34 | Very low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | trans | -149.1 | 117.9 | 159.6 | -107.6 | 168.4 | 0 | 0 | 0 | 114.5 | | |
| 448 | Y | 30.3 | Very low | 33.9 | Very low | 199 Ų | 199 | 133.7 Ų | 133.7 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | 41 | 127 | 145.5 | -99 | -137.4 | 0 | 0 | 0 | 126.9 | | |
| 449 | K | 32.9 | Very low | 34.2 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 73% | 0.726 | 77% | 0.771 | S | S | * | * | | | | 70.7 | 119.6 | 128.5 | -86.7 | -162.7 | 177.1 | -174.1 | 0 | 125.3 | | |
| 450 | S | 28.4 | Very low | 34.5 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | | 83.8 | 110.5 | 118.6 | -66.8 | 0 | 0 | 0 | 0 | 124.7 | | |
| 451 | S | 31.7 | Very low | 34.5 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | | 80.8 | 124.8 | 122.8 | -54.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 452 | S | 28.8 | Very low | 34 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | 62.8 | 146.9 | 149.1 | 38.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 453 | S | 31.4 | Very low | 33.4 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | cis | -167.3 | 160.9 | -4 | 46.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 454 | S | 30.6 | Very low | 33.7 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 81.6 | 138.2 | 151.3 | -161.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 455 | S | 29.4 | Very low | 33.2 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | | | trans | 67.4 | 107.3 | 143.7 | 48.1 | 0 | 0 | 0 | 0 | 123.9 | | |
| 456 | Y | 29.1 | Very low | 33.7 | Very low | 214 Ų | 214 | 130.6 Ų | 130.6 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | | 89.1 | 141.9 | 129 | -92.7 | -112.5 | 0 | 0 | 0 | 123.4 | | |
| 457 | Q | 33.4 | Very low | 33.7 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | | | trans | 69.5 | 110 | 163.3 | -68.4 | -54.9 | -68.2 | 0 | 0 | 122.3 | | |
| 458 | R | 32.9 | Very low | 34.2 | Very low | 200 Ų | 200 | 129.8 Ų | 129.8 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | | 73.9 | 103.2 | 116 | -170.9 | 175.9 | -75.1 | -100 | 1.5 | 120.3 | | |
| 459 | S | 37.8 | Very low | 34.4 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | | | trans | 49.5 | 119.9 | 135.3 | -49.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 460 | H | 41.1 | Very low | 34.9 | Very low | 179 Ų | 179 | 123.9 Ų | 123.9 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | | 167.8 | 158.8 | 103 | -86.8 | -70.8 | 0 | 0 | 0 | 112.1 | | |
| 461 | S | 36.6 | Very low | 35.4 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | 79.7 | 147.9 | 162.2 | 81.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 462 | A | 32.8 | Very low | 35.6 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | | | trans | 69.4 | 131.8 | 148.7 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 463 | C | 32.2 | Very low | 36.3 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | 27.6 | 119.4 | 155.1 | 56.4 | 0 | 0 | 0 | 0 | 122.2 | S465 | C463-S465 PolarHBondContact O-N 3.32Š|
| 464 | P | 43.7 | Very low | 36.6 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | trans | -81.6 | 103.3 | 162.7 | 32.9 | -31 | 0 | 0 | 0 | 111.5 | | |
| 465 | S | 33.2 | Very low | 37.3 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -83.6 | 135.5 | 160.2 | -171.2 | 0 | 0 | 0 | 0 | 109.4 | C463 V467 | C463-S465 PolarHBondContact O-N 3.32Å; S465-V467 PolarHBondContact O-N 3.15Å |
| 466 | P | 42.1 | Very low | 37.9 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -75.8 | 111.5 | -168 | 28.7 | -34.9 | 0 | 0 | 0 | 113.1 | | |
| 467 | V | 37.6 | Very low | 38.5 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | trans | -95.3 | 124.4 | 171.2 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | S465 M469 | S465-V467 PolarHBondContact O-N 3.15Å; V467-M469 PolarHBondContact O-N 2.89Å |
| 468 | S | 41.6 | Very low | 38.9 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | -82.2 | 103.3 | -178.4 | 163.8 | 0 | 0 | 0 | 0 | 113 | | |
| 469 | M | 35.9 | Very low | 39 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | | | trans | -163 | 140.4 | 156 | -141.2 | 70 | 67.8 | 0 | 0 | 107.8 | V467 | V467-M469 PolarHBondContact O-N 2.89Š|
| 470 | G | 41.8 | Very low | 39.2 | Very low | 63 Ų | 63 | 143.9 Ų | 143.9 | 65% | 0.649 | 83% | 0.826 | S | S | * | * | | | cis | 156.1 | 135.1 | -5.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 471 | R | 39.8 | Very low | 39 | Very low | 245 Ų | 245 | 141.4 Ų | 141.4 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | | | trans | 57.6 | 86.1 | 167.8 | -52.6 | -179.8 | -172.2 | -150.9 | -0.5 | 116.4 | L473 | R471-L473 PolarHBondContact O-N 3.5Š|
| 472 | C | 35.4 | Very low | 39.1 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 91% | 0.905 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 116.1 | 160.3 | 46.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 473 | L | 44.3 | Very low | 39.6 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 146.7 | 163.4 | -72.8 | 176.7 | 0 | 0 | 0 | 109.5 | R471 P475 | R471-L473 PolarHBondContact O-N 3.5Å; L473-P475 WeakPolarHBondContact O-CD 3.47Å |
| 474 | T | 38.2 | Very low | 39.7 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 80% | 0.798 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 124.4 | -172.4 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | L476 | T474-L476 PolarHBondContact O-N 2.95Š|
| 475 | P | 44.4 | Very low | 39.3 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | | | trans | -86.2 | 97.4 | 170.7 | 32.9 | -31 | 0 | 0 | 0 | 111 | L473 | L473-P475 WeakPolarHBondContact O-CD 3.47Š|
| 476 | L | 41.3 | Very low | 39.3 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | | | trans | -135.3 | 87.7 | 166.4 | -77.5 | -178.9 | 0 | 0 | 0 | 111 | T474 | T474-L476 PolarHBondContact O-N 2.95Š|
| 477 | S | 41.8 | Very low | 39.3 | Very low | 124 Ų | 124 | 148 Ų | 148 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | | | trans | -173.1 | 155.5 | 146.8 | -86.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 478 | L | 42.7 | Very low | 39.5 | Very low | 171 Ų | 171 | 148 Ų | 148 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | | | trans | -66.9 | 153.9 | -173.8 | -101.3 | 59 | 0 | 0 | 0 | 114.4 | | |
| 479 | M | 35.6 | Very low | 39.7 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | -54.9 | 146.3 | 158.2 | -65.3 | -87 | 91.2 | 0 | 0 | 111.3 | | |
| 480 | R | 41.6 | Very low | 39.6 | Very low | 247 Ų | 247 | 148.5 Ų | 148.5 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | | | trans | -139.1 | 140.8 | 158.9 | -163.3 | 169.8 | -176.6 | 117.5 | 0.6 | 110.2 | | |
| 481 | T | 35.9 | Very low | 39.7 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 160.9 | -174.8 | 38.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 482 | P | 40.2 | Very low | 39.3 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69 | 162.8 | -177.8 | 28.3 | -36.4 | 0 | 0 | 0 | 114.1 | | |
| 483 | P | 42.6 | Very low | 39.2 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 158.8 | -174.1 | 36.1 | -36.6 | 0 | 0 | 0 | 114.3 | | |
| 484 | F | 34.4 | Very low | 39 | Very low | 206 Ų | 206 | 141.6 Ų | 141.6 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | | | trans | -153.6 | 171.5 | 160.3 | -126 | -88.3 | 0 | 0 | 0 | 110.6 | | |
| 485 | D | 35.4 | Very low | 39.7 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | | | trans | -79.3 | 175.7 | -157 | -81.6 | -65.3 | 0 | 0 | 0 | 119.9 | | |
| 486 | A | 32.3 | Very low | 39.4 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | | | trans | -67.6 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 487 | P | 42.4 | Very low | 39.1 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | | | cis | -141.1 | -172.9 | 20.5 | 42.3 | -20.4 | 0 | 0 | 0 | 118.9 | | |
| 488 | M | 42.3 | Very low | 38.5 | Very low | 139 Ų | 139 | 141 Ų | 141 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | | | trans | -83.6 | 161 | -172.6 | -71.6 | -76.4 | -65.7 | 0 | 0 | 115.2 | F490 | M488-F490 HydrophobicContact CE-CE1 4.41Å; M488-F490 HydrophobicContact CE-CE2 4.49Å; M488-F490 HydrophobicContact CE-CZ 4.4Å |
| 489 | P | 44.7 | Very low | 38 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | | -142.5 | 177.4 | 98.7 | 35.3 | -18 | 0 | 0 | 0 | 117.2 | | |
| 490 | F | 33.5 | Very low | 37.7 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -80.5 | -175.8 | -174.7 | -69.8 | -86 | 0 | 0 | 0 | 114 | M488 | M488-F490 HydrophobicContact CE-CE1 4.41Å; M488-F490 HydrophobicContact CE-CE2 4.49Å; M488-F490 HydrophobicContact CE-CZ 4.4Å |
| 491 | P | 45.5 | Very low | 37.2 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | cis | -144.7 | 170 | 11.3 | 43.6 | -24.4 | 0 | 0 | 0 | 120.2 | | |
| 492 | G | 30.4 | Very low | 37.6 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | 85.6 | 117 | 132.3 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 493 | G | 32.6 | Very low | 37.2 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | 163.9 | 96.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 494 | L | 40.8 | Very low | 36.7 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | -117.2 | 167.8 | 170.5 | -84.7 | 173.3 | 0 | 0 | 0 | 108.5 | | |
| 495 | P | 52.4 | Low | 36.8 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | | | cis | -149 | 175.3 | 28.9 | 44.8 | -25.7 | 0 | 0 | 0 | 119.2 | | |
| 496 | R | 38.2 | Very low | 36.6 | Very low | 228 Ų | 228 | 126.4 Ų | 126.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | 63.8 | 139.1 | 156.6 | -70.1 | 161.3 | 173.5 | 169.5 | -3.1 | 117.6 | | |
| 497 | S | 34.9 | Very low | 36.8 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | cis | -172.4 | 167.2 | -8.9 | -95.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 498 | A | 30.5 | Very low | 36.7 | Very low | 85 Ų | 85 | 124.2 Ų | 124.2 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | cis | -178.2 | 159.4 | -29.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 499 | S | 32.4 | Very low | 37.2 | Very low | 126 Ų | 126 | 122 Ų | 122 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | | | trans | 72.2 | 134.6 | 162.3 | -149.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 500 | A | 29.8 | Very low | 36.5 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | | | cis | -159.2 | 174.6 | -13.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 501 | T | 30.1 | Very low | 36.3 | Very low | 135 Ų | 135 | 122.7 Ų | 122.7 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | | | trans | -132.1 | -166.7 | -173.4 | 47.5 | 0 | 0 | 0 | 0 | 110 | | |
| 502 | P | 44.3 | Very low | 35.5 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | cis | -128.6 | -149.8 | -49.2 | 33.9 | -13.8 | 0 | 0 | 0 | 113.3 | | |
| 503 | H | 31.9 | Very low | 35.5 | Very low | 192 Ų | 192 | 123.6 Ų | 123.6 | 89% | 0.889 | 77% | 0.768 | S | S | * | * | | | trans | -74.4 | 164.3 | -172.9 | -32.9 | -63.4 | 0 | 0 | 0 | 118.1 | | |
| 504 | G | 32 | Very low | 35.3 | Very low | 67 Ų | 67 | 123 Ų | 123 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | | 126.9 | 117.3 | 102.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 505 | K | 37.1 | Very low | 35.1 | Very low | 222 Ų | 222 | 127.2 Ų | 127.2 | 97% | 0.965 | 77% | 0.766 | S | S | * | * | | | trans | 61.9 | 139.4 | 140.5 | -56.9 | -176 | -180 | -178.5 | 0 | 122.8 | | |
| 506 | G | 30.2 | Very low | 34.1 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | 161.7 | 133.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 507 | S | 36.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -163.3 | 137.2 | 173.5 | 59 | 0 | 0 | 0 | 0 | 113 | | |
| 508 | P | 40.3 | Very low | 33.8 | Very low | 56 Ų | 56 | 127.1 Ų | 127.1 | 36% | 0.364 | 78% | 0.779 | S | S | . | * | | | | -148 | 167.5 | 126.9 | 16.9 | 8.5 | 0 | 0 | 0 | 116.7 | T101 I102 | T101-P508 WeakPolarHBondContact CA-O 3.47Å; T101-P508 HydrophobicContact CG2-CG 3.84Å; T101-P508 PolarHBondContact N-O 2.8Å; T101-P508 WeakPolarHBondContact OG1-CD 3.37Å; T101-P508 WeakPolarHBondContact OG1-CG 3.43Å; I102-P508 WeakPolarHBondContact O-CB 3.33Å |
| 509 | P | 52.6 | Low | 34 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 60% | 0.597 | 78% | 0.781 | S | S | * | * | | | trans | -108.1 | 178.6 | -170.1 | 40.8 | -45.2 | 0 | 0 | 0 | 119.8 | T101 I102 | T101-P509 CarbonylContact C-O 3.57Å; I102-P509 CarbonylContact C-O 3.55Å; I102-P509 PolarHBondContact N-O 3.07Å; I102-P509 WeakPolarHBondContact O-CD 3.26Å; I102-P509 WeakPolarHBondContact O-CG 3.37Å |
| 510 | Q | 30.2 | Very low | 34.2 | Very low | 145 Ų | 145 | 130 Ų | 130 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | -152.1 | 143.4 | 149.1 | -163 | 171.6 | -4.1 | 0 | 0 | 113.6 | | |
| 511 | E | 28.4 | Very low | 34.4 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | 42.4 | 129.5 | 159.5 | -76.5 | 165.3 | -130.7 | 0 | 0 | 126.6 | | |
| 512 | G | 29.1 | Very low | 34.8 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | | | trans | 80.7 | 149.7 | 140.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 513 | V | 30.5 | Very low | 34.3 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | cis | -143.7 | 141.6 | -18.6 | -173.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 514 | G | 29.6 | Very low | 34.3 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -86.3 | 170.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 515 | R | 36.4 | Very low | 34.8 | Very low | 258 Ų | 258 | 136.4 Ų | 136.4 | 97% | 0.974 | 79% | 0.793 | S | S | * | * | | | trans | -155.1 | 149.2 | 144.2 | -104 | 163.3 | -160.3 | -110.4 | 1.6 | 109.7 | | |
| 516 | L | 31.7 | Very low | 35 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 95% | 0.948 | 78% | 0.783 | S | S | * | * | | | trans | -90.6 | 133.3 | -169.9 | -72.9 | 156.5 | 0 | 0 | 0 | 112.1 | | |
| 517 | H | 33.7 | Very low | 35.3 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -90 | 102.1 | 170 | -173.3 | -77.7 | 0 | 0 | 0 | 110.2 | | |
| 518 | G | 32 | Very low | 35.6 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | | | trans | -90.3 | 123.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 519 | S | 34.8 | Very low | 35.9 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -154.4 | 156.4 | 151.8 | -163.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 520 | M | 35.8 | Very low | 35.4 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -68.2 | 139.5 | -163.3 | -60.2 | 165.7 | 65.1 | 0 | 0 | 113.3 | | |
| 521 | Q | 35.9 | Very low | 36 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | -133.6 | 125.6 | 164.4 | -63.1 | -169.9 | 18.4 | 0 | 0 | 109.8 | | |
| 522 | N | 38.3 | Very low | 37.2 | Very low | 139 Ų | 139 | 140 Ų | 140 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | -77.2 | 145.3 | -173.4 | -70.3 | -34.2 | 0 | 0 | 0 | 112.4 | S524 | N522-S524 PolarHBondContact O-N 2.86Å; N522-S524 PolarHBondContact O-OG 3.32Å |
| 523 | V | 33.6 | Very low | 38.7 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | -62.9 | 105 | -174.1 | -76.2 | 0 | 0 | 0 | 0 | 113.1 | T525 | V523-T525 PolarHBondContact O-N 2.84Š|
| 524 | S | 30.3 | Very low | 40.4 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -94.4 | 81.3 | 176.2 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | N522 G526 | N522-S524 PolarHBondContact O-N 2.86Å; N522-S524 PolarHBondContact O-OG 3.32Å; S524-G526 VanDerWaalsContact C-N 3.27Å; S524-G526 PolarHBondContact O-N 3.26Å |
| 525 | T | 44.1 | Very low | 42.5 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 92% | 0.92 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 76.9 | 173.6 | 22.1 | 0 | 0 | 0 | 0 | 111.6 | V523 | V523-T525 PolarHBondContact O-N 2.84Š|
| 526 | G | 40.8 | Very low | 44 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.2 | 18.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S524 S528 | S524-G526 VanDerWaalsContact C-N 3.27Å; S524-G526 PolarHBondContact O-N 3.26Å; G526-S528 PolarHBondContact O-N 3.49Å |
| 527 | R | 36 | Very low | 46.2 | Very low | 230 Ų | 230 | 127.8 Ų | 127.8 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | | | trans | -72.8 | 114.2 | -178.6 | -165.9 | 176.8 | -167 | -89.2 | 6 | 111 | R529 | R527-R529 PolarHBondContact O-N 3.09Š|
| 528 | S | 44.3 | Very low | 48.1 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | | | trans | -29.9 | 120 | 169.4 | 177.7 | 0 | 0 | 0 | 0 | 113.2 | G526 | G526-S528 PolarHBondContact O-N 3.49Š|
| 529 | R | 46 | Very low | 49.8 | Very low | 223 Ų | 223 | 123.7 Ų | 123.7 | 84% | 0.842 | 69% | 0.693 | S | S | * | * | | | trans | -104.4 | 141.6 | 164.8 | -79 | -173.9 | 162.2 | -156.6 | -5.5 | 108.7 | R527 | R527-R529 PolarHBondContact O-N 3.09Š|
| 530 | T | 41.4 | Very low | 51.4 | Low | 119 Ų | 119 | 123.4 Ų | 123.4 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 150 | 167.2 | 39.9 | 0 | 0 | 0 | 0 | 111 | T532 | T530-T532 PolarHBondContact O-N 3.19Å; T530-T532 VanDerWaalsContact O-N 3.1Å |
| 531 | P | 44.1 | Very low | 53.3 | Low | 133 Ų | 133 | 121 Ų | 121 | 86% | 0.864 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 117.2 | -179.7 | 24.3 | -34.1 | 0 | 0 | 0 | 110.7 | | |
| 532 | T | 52.4 | Low | 54.7 | Low | 70 Ų | 70 | 119 Ų | 119 | 43% | 0.429 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -80.6 | 169.5 | 173.8 | 40.9 | 0 | 0 | 0 | 0 | 111 | T530 D536 | T530-T532 PolarHBondContact O-N 3.19Å; T530-T532 VanDerWaalsContact O-N 3.1Å; T532-D536 WeakPolarHBondContact CB-OD2 3.34Å |
| 533 | S | 60.4 | Low | 55.7 | Low | 61 Ų | 61 | 116 Ų | 116 | 43% | 0.427 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 147.1 | 178 | -176 | 0 | 0 | 0 | 0 | 110.4 | L535 D536 E537 | S533-L535 PolarHBondContact O-N 2.91Å; S533-L535 PolarHBondContact OG-N 2.95Å; S533-D536 WeakPolarHBondContact CB-OD2 3.36Å; S533-D536 PolarHBondContact N-OD2 3.08Å; S533-D536 WeakPolarHBondContact O-CB 3.42Å; S533-D536 PolarHBondContact O-N 2.76Å; S533-E537 PolarHBondContact O-N 3.25Å |
| 534 | P | 66.6 | Low | 57.1 | Low | 96 Ų | 96 | 113.2 Ų | 113.2 | 62% | 0.623 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -53.7 | -25.2 | 170.3 | -27 | 35.5 | 0 | 0 | 0 | 113.5 | E537 L538 | P534-E537 PolarHBondContact O-N 3.03Å; P534-L538 PolarHBondContact O-N 3.37Å |
| 535 | L | 73.8 | Confident | 58.4 | Low | 121 Ų | 121 | 110.3 Ų | 110.3 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.9 | -29.8 | 175.3 | -154.6 | 71.3 | 0 | 0 | 0 | 112.9 | S533 T539 | S533-L535 PolarHBondContact O-N 2.91Å; S533-L535 PolarHBondContact OG-N 2.95Å; L535-T539 WeakPolarHBondContact O-CB 3.42Å; L535-T539 PolarHBondContact O-N 2.75Å; L535-T539 PolarHBondContact O-OG1 3.46Å |
| 536 | D | 68.6 | Low | 59 | Low | 69 Ų | 69 | 112.6 Ų | 112.6 | 37% | 0.369 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.7 | -37.4 | 174.8 | -60.8 | -48.8 | 0 | 0 | 0 | 110.7 | T532 S533 T539 N540 | T532-D536 WeakPolarHBondContact CB-OD2 3.34Å; S533-D536 WeakPolarHBondContact CB-OD2 3.36Å; S533-D536 PolarHBondContact N-OD2 3.08Å; S533-D536 WeakPolarHBondContact O-CB 3.42Å; S533-D536 PolarHBondContact O-N 2.76Å; D536-T539 PolarHBondContact O-N 3.46Å; D536-N540 PolarHBondContact O-N 2.88Å; D536-N540 PolarHBondContact O-ND2 3.3Å |
| 537 | E | 76.7 | Confident | 59.7 | Low | 128 Ų | 128 | 114.8 Ų | 114.8 | 60% | 0.598 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.7 | -45.9 | 176.8 | -61.7 | -174.7 | 175.7 | 0 | 0 | 111.1 | S533 P534 T539 N540 L541 | S533-E537 PolarHBondContact O-N 3.25Å; P534-E537 PolarHBondContact O-N 3.03Å; E537-T539 PolarHBondContact O-N 2.86Å; E537-N540 PolarHBondContact O-N 3.47Å; E537-L541 WeakPolarHBondContact O-CB 3.45Å; E537-L541 PolarHBondContact O-N 3.02Å |
| 538 | L | 73.2 | Confident | 60.4 | Low | 87 Ų | 87 | 111.9 Ų | 111.9 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.7 | -41.2 | 172.6 | -66.3 | 175.6 | 0 | 0 | 0 | 112.2 | P534 N540 L541 F542 | P534-L538 PolarHBondContact O-N 3.37Å; L538-N540 VanDerWaalsContact C-N 3.35Å; L538-N540 PolarHBondContact O-N 3.47Å; L538-L541 WeakPolarHBondContact O-CB 3.49Å; L538-L541 PolarHBondContact O-N 2.89Å; L538-L541 VanDerWaalsContact O-N 3.14Å; L538-F542 HydrophobicContact CB-CD2 4.47Å; L538-F542 HydrophobicContact CB-CE2 4.36Å; L538-F542 WeakPolarHBondContact O-CD2 3.02Å; L538-F542 PolarHBondContact O-N 3.03Å |
| 539 | T | 68.7 | Low | 61 | Low | 81 Ų | 81 | 115.1 Ų | 115.1 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.2 | -39.4 | 178.2 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | L535 D536 E537 T543 | L535-T539 WeakPolarHBondContact O-CB 3.42Å; L535-T539 PolarHBondContact O-N 2.75Å; L535-T539 PolarHBondContact O-OG1 3.46Å; D536-T539 PolarHBondContact O-N 3.46Å; E537-T539 PolarHBondContact O-N 2.86Å; T539-T543 WeakPolarHBondContact O-CG2 3.49Å; T539-T543 PolarHBondContact O-N 3.41Å; T539-T543 VanDerWaalsContact O-N 3.16Å; T539-T543 PolarHBondContact O-OG1 3.1Å |
| 540 | N | 68.5 | Low | 61 | Low | 100 Ų | 100 | 113.7 Ų | 113.7 | 54% | 0.535 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.5 | -36.4 | 172 | -76.2 | -74.4 | 0 | 0 | 0 | 111.9 | D536 E537 L538 T543 T544 | D536-N540 PolarHBondContact O-N 2.88Å; D536-N540 PolarHBondContact O-ND2 3.3Å; E537-N540 PolarHBondContact O-N 3.47Å; L538-N540 VanDerWaalsContact C-N 3.35Å; L538-N540 PolarHBondContact O-N 3.47Å; N540-T543 WeakPolarHBondContact CA-OG1 3.5Å; N540-T543 PolarHBondContact O-OG1 3.48Å; N540-T543 VanDerWaalsContact O-OG1 3.12Å; N540-T544 WeakPolarHBondContact O-CB 3.39Å; N540-T544 PolarHBondContact O-N 3.28Å; N540-T544 PolarHBondContact O-OG1 3.14Å |
| 541 | L | 75 | Confident | 61.4 | Low | 115 Ų | 115 | 117 Ų | 117 | 60% | 0.602 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.8 | -45.4 | 177.4 | -168.9 | 66.7 | 0 | 0 | 0 | 112.1 | E537 L538 T543 T544 G545 | E537-L541 WeakPolarHBondContact O-CB 3.45Å; E537-L541 PolarHBondContact O-N 3.02Å; L538-L541 WeakPolarHBondContact O-CB 3.49Å; L538-L541 PolarHBondContact O-N 2.89Å; L538-L541 VanDerWaalsContact O-N 3.14Å; L541-T543 VanDerWaalsContact C-N 3.35Å; L541-T543 PolarHBondContact O-N 3.19Å; L541-T544 PolarHBondContact O-N 3.3Å; L541-G545 WeakPolarHBondContact O-CA 3.16Å; L541-G545 PolarHBondContact O-N 3.29Å |
| 542 | F | 65.1 | Low | 61.2 | Low | 148 Ų | 148 | 117 Ų | 117 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.1 | -25.6 | 178.4 | -73.2 | -61.8 | 0 | 0 | 0 | 114 | L538 | L538-F542 HydrophobicContact CB-CD2 4.47Å; L538-F542 HydrophobicContact CB-CE2 4.36Å; L538-F542 WeakPolarHBondContact O-CD2 3.02Å; L538-F542 PolarHBondContact O-N 3.03Å |
| 543 | T | 60.4 | Low | 60.7 | Low | 77 Ų | 77 | 118.7 Ų | 118.7 | 47% | 0.472 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -81.6 | -41.1 | 172.7 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | T539 N540 L541 | T539-T543 WeakPolarHBondContact O-CG2 3.49Å; T539-T543 PolarHBondContact O-N 3.41Å; T539-T543 VanDerWaalsContact O-N 3.16Å; T539-T543 PolarHBondContact O-OG1 3.1Å; N540-T543 WeakPolarHBondContact CA-OG1 3.5Å; N540-T543 PolarHBondContact O-OG1 3.48Å; N540-T543 VanDerWaalsContact O-OG1 3.12Å; L541-T543 VanDerWaalsContact C-N 3.35Å; L541-T543 PolarHBondContact O-N 3.19Å |
| 544 | T | 63.5 | Low | 59.6 | Low | 79 Ų | 79 | 122 Ų | 122 | 49% | 0.485 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -72.2 | -34.1 | 178 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | N540 L541 R546 N547 | N540-T544 WeakPolarHBondContact O-CB 3.39Å; N540-T544 PolarHBondContact O-N 3.28Å; N540-T544 PolarHBondContact O-OG1 3.14Å; L541-T544 PolarHBondContact O-N 3.3Å; T544-R546 PolarHBondContact O-N 3.14Å; T544-R546 VanDerWaalsContact O-N 3.12Å; T544-N547 VanDerWaalsContact O-CB 3.29Å; T544-N547 WeakPolarHBondContact O-CB 3.39Å; T544-N547 VanDerWaalsContact O-CG 3.23Å; T544-N547 PolarHBondContact O-N 3.38Å; T544-N547 PolarHBondContact O-ND2 3.35Å |
| 545 | G | 57.3 | Low | 58.2 | Low | 50 Ų | 50 | 121 Ų | 121 | 52% | 0.515 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -61.3 | -22.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L541 N547 | L541-G545 WeakPolarHBondContact O-CA 3.16Å; L541-G545 PolarHBondContact O-N 3.29Å; G545-N547 PolarHBondContact O-N 3.26Å |
| 546 | R | 56.3 | Low | 56.8 | Low | 198 Ų | 198 | 127.5 Ų | 127.5 | 75% | 0.747 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -70.8 | -13.1 | 176.2 | -63 | -166 | -177.7 | 103.6 | -0.8 | 113.7 | T544 | T544-R546 PolarHBondContact O-N 3.14Å; T544-R546 VanDerWaalsContact O-N 3.12Å |
| 547 | N | 55.2 | Low | 55.2 | Low | 121 Ų | 121 | 134 Ų | 134 | 65% | 0.647 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -83.5 | -20 | -170.9 | -57.1 | -11.2 | 0 | 0 | 0 | 113.1 | T544 G545 L549 | T544-N547 VanDerWaalsContact O-CB 3.29Å; T544-N547 WeakPolarHBondContact O-CB 3.39Å; T544-N547 VanDerWaalsContact O-CG 3.23Å; T544-N547 PolarHBondContact O-N 3.38Å; T544-N547 PolarHBondContact O-ND2 3.35Å; G545-N547 PolarHBondContact O-N 3.26Å; N547-L549 PolarHBondContact O-N 2.8Å |
| 548 | M | 51.9 | Low | 53 | Low | 168 Ų | 168 | 134 Ų | 134 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -12.1 | -167.8 | -73 | -62.6 | -64.4 | 0 | 0 | 115.5 | | |
| 549 | L | 56.3 | Low | 51.3 | Low | 174 Ų | 174 | 137.8 Ų | 137.8 | 91% | 0.911 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 15.1 | -168.7 | -143.8 | 73.3 | 0 | 0 | 0 | 115.1 | N547 | N547-L549 PolarHBondContact O-N 2.8Š|
| 550 | K | 45.9 | Very low | 49.4 | Very low | 193 Ų | 193 | 141 Ų | 141 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -133.1 | 58.4 | -175.2 | -156.3 | 176.9 | 178.6 | 178.7 | 0 | 116 | | |
| 551 | K | 50 | Low | 48 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | 52.3 | 147.1 | 138.5 | -135.1 | -170 | 177.3 | 179.2 | 0 | 121.3 | | |
| 552 | N | 40.5 | Very low | 45.8 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 80.4 | 120.7 | 169.2 | -46.2 | -23.3 | 0 | 0 | 0 | 114.1 | | |
| 553 | A | 41.4 | Very low | 44.3 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | cis | 83.7 | 100.2 | 39.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 554 | S | 37.3 | Very low | 43.5 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | | | trans | -147.5 | 144.8 | 161.4 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 555 | G | 36.9 | Very low | 42.2 | Very low | 75 Ų | 75 | 147.1 Ų | 147.1 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 161.5 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 556 | R | 43.4 | Very low | 41 | Very low | 258 Ų | 258 | 150.9 Ų | 150.9 | 97% | 0.974 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 149.1 | 164.7 | -63.4 | 179 | 177.8 | 179.9 | -1.7 | 109.9 | | |
| 557 | K | 35.3 | Very low | 39.9 | Very low | 206 Ų | 206 | 146.6 Ų | 146.6 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 143.1 | 169.9 | -90.4 | -168.5 | 171.9 | -171.8 | 0 | 111.4 | | |
| 558 | S | 32.1 | Very low | 38.9 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | -147.1 | -179.2 | 154.4 | -80 | 0 | 0 | 0 | 0 | 108.6 | | |
| 559 | K | 37.1 | Very low | 37.9 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | | | trans | -132.8 | 142.6 | -135.5 | 178.3 | -175.2 | 166.1 | -167.7 | 0 | 114.9 | | |
| 560 | E | 29.1 | Very low | 36.6 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | trans | 61.6 | 175.2 | 163.5 | -77.8 | 168.2 | -165.9 | 0 | 0 | 117.3 | | |
| 561 | P | 38.2 | Very low | 35.7 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | | -125.4 | -175 | -69.2 | 37.4 | -21.5 | 0 | 0 | 0 | 112 | | |
| 562 | G | 28 | Very low | 34.9 | Very low | 78 Ų | 78 | 144.5 Ų | 144.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -158.9 | 150.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 563 | E | 34.9 | Very low | 34.3 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | -116.2 | 151.6 | -167.5 | -58.8 | -177.5 | 150 | 0 | 0 | 114.5 | | |
| 564 | S | 42.8 | Very low | 33.7 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | 68.6 | 177.2 | 152.8 | 78.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 565 | K | 35.5 | Very low | 33.2 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | | | trans | 104.7 | 144.4 | 166.2 | -68.9 | 176.1 | -172.5 | 176.4 | 0 | 116.5 | | |
| 566 | E | 32 | Very low | 32.8 | Very low | 128 Ų | 128 | 150 Ų | 150 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | | | cis | -177.7 | 157.2 | -3 | 159.6 | 176.1 | -162.8 | 0 | 0 | 110.1 | R140 | R140-E566 IonicContact CZ-OE2 3.26Å; R140-E566 VanDerWaalsContact CZ-OE2 3.26Å; R140-E566 IonicContact NH1-OE2 2.67Å; R140-E566 PolarHBondContact NH1-OE2 3.13Å; R140-E566 IonicContact NH2-OE1 3.14Å; R140-E566 PolarHBondContact NH2-OE1 3.28Å; R140-E566 VanDerWaalsContact NH2-OE1 3.14Å; R140-E566 IonicContact NH2-OE2 2.9Å; R140-E566 PolarHBondContact NH2-OE2 2.69Å |
| 567 | S | 34.7 | Very low | 31.9 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | trans | 151 | 155.8 | 159.8 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 568 | K | 33 | Very low | 31.5 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | | | cis | -158.3 | 162.5 | -2.8 | -129.5 | 175.9 | 169.2 | -109 | 0 | 112.8 | | |
| 569 | D | 30.9 | Very low | 31.3 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 58% | 0.583 | 73% | 0.728 | S | S | * | * | | | trans | 35.7 | 115.9 | 147.9 | -64.7 | -35.8 | 0 | 0 | 0 | 123.5 | | |
| 570 | R | 29.3 | Very low | 31.6 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | | | | 75 | 131 | 125.2 | -80.4 | -177.4 | 171.8 | -95.7 | 2.9 | 124.9 | | |
| 571 | D | 27.4 | Very low | 31.4 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | | | trans | 77.4 | 129.4 | 135.4 | -61.2 | -28.7 | 0 | 0 | 0 | 122.1 | | |
| 572 | K | 32.6 | Very low | 31 | Very low | 192 Ų | 192 | 139 Ų | 139 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | | | trans | 96.2 | 133.6 | 158.4 | -66 | -174.4 | 177.8 | -178.6 | 0 | 121.8 | | |
| 573 | L | 28.8 | Very low | 30.9 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | | | trans | 70.7 | 130.7 | 145.9 | -99.5 | 69.9 | 0 | 0 | 0 | 121.4 | | |
| 574 | I | 29.1 | Very low | 30.8 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | | | | 44.9 | 133.4 | 128.4 | -69 | 175.6 | 0 | 0 | 0 | 117.2 | | |
| 575 | D | 26.4 | Very low | 30 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 66% | 0.658 | 71% | 0.71 | S | S | * | * | | | cis | 166.8 | 168.2 | 2.1 | -175.9 | 4.8 | 0 | 0 | 0 | 103.6 | | |
| 576 | H | 28 | Very low | 29.9 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | | | trans | 64.7 | 115.8 | 166.5 | -80.3 | 47.8 | 0 | 0 | 0 | 117.9 | | |
| 577 | Q | 24.7 | Very low | 29.8 | Very low | 149 Ų | 149 | 144 Ų | 144 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | | | | 70.4 | 108.4 | 86.9 | -69.9 | -80 | 20.1 | 0 | 0 | 115 | | |
| 578 | H | 27.8 | Very low | 29.7 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.815 | 72% | 0.717 | S | S | * | * | | | | 176.1 | 118.3 | 115.6 | -104.5 | -78.3 | 0 | 0 | 0 | 114.7 | | |
| 579 | E | 27.5 | Very low | 29.6 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | | | trans | -67.7 | 155 | 136.5 | -103.9 | -84.4 | 137.1 | 0 | 0 | 107.5 | L581 | E579-L581 PolarHBondContact OE2-N 2.96Å; E579-L581 VanDerWaalsContact OE2-N 3.09Å |
| 580 | P | 42.1 | Very low | 29.6 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | | | | -157.9 | 155.3 | 67.1 | 41.9 | -20.3 | 0 | 0 | 0 | 121.1 | | |
| 581 | L | 26 | Very low | 29.7 | Very low | 118 Ų | 118 | 147 Ų | 147 | 62% | 0.618 | 73% | 0.727 | S | S | * | * | | | trans | 49.9 | 121.4 | 132.5 | -64 | 170.2 | 0 | 0 | 0 | 122.9 | E579 K583 | E579-L581 PolarHBondContact OE2-N 2.96Å; E579-L581 VanDerWaalsContact OE2-N 3.09Å; L581-K583 HydrophobicContact CD2-CG 4.47Å |
| 582 | S | 28.6 | Very low | 29.9 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | | | | -151.1 | 125.5 | 118 | 57 | 0 | 0 | 0 | 0 | 107.5 | | |
| 583 | K | 26.7 | Very low | 29.7 | Very low | 170 Ų | 170 | 144 Ų | 144 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | | | | 53 | 127.6 | 56.4 | -64.5 | -175.6 | 178.8 | 178.8 | 0 | 111.2 | L581 | L581-K583 HydrophobicContact CD2-CG 4.47Š|
| 584 | Q | 32.5 | Very low | 30 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | cis | -161.9 | 154.5 | 44.3 | -158.6 | -170.7 | -48.3 | 0 | 0 | 112.9 | | |
| 585 | D | 27.1 | Very low | 30 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | | | trans | 47.8 | 153.4 | 149.3 | -79.5 | -29.2 | 0 | 0 | 0 | 123.8 | | |
| 586 | S | 31.6 | Very low | 30.5 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | cis | -177.1 | 172.6 | -28.4 | -113 | 0 | 0 | 0 | 0 | 112.2 | | |
| 587 | K | 31.3 | Very low | 30.5 | Very low | 189 Ų | 189 | 145.2 Ų | 145.2 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | trans | 87 | 80.2 | 146.8 | -150 | 166.8 | -169.5 | 169.8 | 0 | 121.6 | | |
| 588 | E | 32.8 | Very low | 30.9 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | | | | 43.3 | 136.2 | 111.8 | -142.4 | -152.7 | 154.9 | 0 | 0 | 122.3 | | |
| 589 | R | 31.3 | Very low | 30.9 | Very low | 206 Ų | 206 | 142.2 Ų | 142.2 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | | | trans | 89.1 | 151.1 | 157.7 | -56.2 | -167.2 | 179.5 | 143.6 | 23 | 119.5 | | |
| 590 | A | 30.7 | Very low | 31.2 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | | | cis | -173.8 | 167.9 | -29.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 591 | R | 31.5 | Very low | 30.7 | Very low | 240 Ų | 240 | 145.8 Ų | 145.8 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | | | trans | 80.6 | 119.3 | 157.4 | -61.2 | -176.2 | -179.5 | 179.3 | -0.5 | 120.2 | | |
| 592 | N | 31.1 | Very low | 31 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 92% | 0.92 | 75% | 0.75 | S | S | * | * | | | trans | -41.3 | 155.3 | 155.7 | -31.6 | -16.6 | 0 | 0 | 0 | 114.7 | | |
| 593 | G | 27.1 | Very low | 31.2 | Very low | 77 Ų | 77 | 150.5 Ų | 150.5 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | -171.2 | 138.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 594 | L | 36.9 | Very low | 31.4 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | trans | -87.3 | 177.4 | 166.7 | -64.1 | 166.7 | 0 | 0 | 0 | 108.3 | | |
| 595 | D | 27.7 | Very low | 31.2 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | | | cis | -158.9 | -173.2 | 24.7 | -144.4 | -46.5 | 0 | 0 | 0 | 112.1 | | |
| 596 | S | 36.6 | Very low | 31.4 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -103.3 | 159.2 | -175.1 | -180 | 0 | 0 | 0 | 0 | 113.8 | | |
| 597 | K | 29.3 | Very low | 31.3 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | | | trans | -177.5 | 138 | 135.8 | -106.6 | 177.2 | -177.5 | -172.4 | 0 | 117 | | |
| 598 | Q | 33.7 | Very low | 31.2 | Very low | 140 Ų | 140 | 152 Ų | 152 | 65% | 0.654 | 77% | 0.774 | S | S | * | * | | | trans | 46 | 154.2 | 132 | -75.6 | 173.8 | -90.7 | 0 | 0 | 121.6 | | |
| 599 | D | 27.8 | Very low | 31.1 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | | | cis | -148.5 | 173.9 | 5.1 | -138.8 | -41.6 | 0 | 0 | 0 | 114.5 | | |
| 600 | S | 33.1 | Very low | 31.2 | Very low | 94 Ų | 94 | 155 Ų | 155 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | | | trans | -73.6 | 172.6 | -178.3 | 60.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 601 | R | 31.8 | Very low | 31.1 | Very low | 228 Ų | 228 | 154.6 Ų | 154.6 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | 167 | 150.4 | 143.9 | -94.7 | -176.7 | -160.4 | -176.6 | 5.3 | 110.4 | | |
| 602 | D | 31.7 | Very low | 31.5 | Very low | 118 Ų | 118 | 149 Ų | 149 | 63% | 0.631 | 79% | 0.786 | S | S | * | * | | | cis | -156.8 | 170.5 | -12.3 | -137.3 | -29.6 | 0 | 0 | 0 | 112.6 | | |
| 603 | R | 34.1 | Very low | 31.6 | Very low | 213 Ų | 213 | 147.9 Ų | 147.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -24.1 | 153.2 | 174.6 | -57.6 | 138.7 | -179.7 | -139.3 | -5.6 | 121.1 | | |
| 604 | V | 30.9 | Very low | 31.9 | Very low | 136 Ų | 136 | 153.6 Ų | 153.6 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | | 170.6 | 144.4 | 100.2 | 159.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 605 | G | 28.3 | Very low | 31.6 | Very low | 69 Ų | 69 | 151.7 Ų | 151.7 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | -127.1 | 171.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 606 | R | 30.3 | Very low | 31.8 | Very low | 250 Ų | 250 | 150.8 Ų | 150.8 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | | | trans | -142.1 | 145 | 168.8 | -74.5 | -165.6 | 176.3 | -141.6 | -0.9 | 111.9 | | |
| 607 | K | 29.3 | Very low | 31.5 | Very low | 213 Ų | 213 | 158 Ų | 158 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | | | trans | -87.6 | 153 | 167.3 | -63.7 | 177.4 | 178.9 | 177.5 | 0 | 110.1 | | |
| 608 | S | 30.1 | Very low | 31.6 | Very low | 116 Ų | 116 | 157.4 Ų | 157.4 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -147.8 | 145.1 | 149.6 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 609 | Q | 30.1 | Very low | 31.5 | Very low | 170 Ų | 170 | 159.9 Ų | 159.9 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -82.7 | 158.3 | 173.3 | -63.2 | 156.4 | -37.7 | 0 | 0 | 110.3 | | |
| 610 | Y | 32.6 | Very low | 31.6 | Very low | 233 Ų | 233 | 164.2 Ų | 164.2 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | | | | -166.2 | 166.7 | 124.7 | -90.3 | -55.6 | 0 | 0 | 0 | 110.7 | | |
| 611 | G | 28.5 | Very low | 31.5 | Very low | 70 Ų | 70 | 168.2 Ų | 168.2 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | | | trans | -83.8 | -171.8 | -160.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 612 | P | 41.4 | Very low | 31.7 | Very low | 121 Ų | 121 | 164.8 Ų | 164.8 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | trans | -106.4 | 163.1 | -147 | 39.3 | -37.1 | 0 | 0 | 0 | 116.2 | | |
| 613 | V | 31.6 | Very low | 31.6 | Very low | 149 Ų | 149 | 166.3 Ų | 166.3 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | | | trans | -126.2 | 134.6 | 162.1 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 614 | K | 34.4 | Very low | 31.6 | Very low | 198 Ų | 198 | 166.4 Ų | 166.4 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | | | trans | -92.7 | 146.8 | -176.9 | -56.6 | 174.5 | -177.3 | 178.1 | 0 | 111.1 | | |
| 615 | S | 29.5 | Very low | 31.5 | Very low | 123 Ų | 123 | 170.9 Ų | 170.9 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | | | trans | -156.6 | 115.9 | 152.5 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 616 | T | 32.5 | Very low | 31.7 | Very low | 128 Ų | 128 | 171.8 Ų | 171.8 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | | | trans | -86.5 | 149.2 | 173.5 | 36.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 617 | R | 31.1 | Very low | 32 | Very low | 250 Ų | 250 | 165.5 Ų | 165.5 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | | | trans | -143.7 | 113.5 | 162.5 | -164.8 | 175.3 | -175.1 | -153.8 | -1.2 | 111.3 | | |
| 618 | E | 31.8 | Very low | 32 | Very low | 163 Ų | 163 | 164.3 Ų | 164.3 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | | | trans | -86.6 | 165.3 | -169.6 | -65.4 | 164.3 | 131.6 | 0 | 0 | 113.3 | | |
| 619 | K | 30.3 | Very low | 32.4 | Very low | 192 Ų | 192 | 164.5 Ų | 164.5 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | -76.9 | 135.5 | 178.3 | -60.9 | 169.4 | -176.9 | 170.1 | 0 | 110 | | |
| 620 | W | 29.5 | Very low | 32.5 | Very low | 214 Ų | 214 | 164.5 Ų | 164.5 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | -114.3 | 99.7 | 161.6 | -79.3 | 92.7 | 0 | 0 | 0 | 109.9 | H622 | W620-H622 AromaticContact CE3-CD2 3.69Å; W620-H622 AromaticContact CE3-NE2 3.47Å; W620-H622 AromaticContact CZ3-NE2 3.45Å; W620-H622 WeakPolarHBondContact CZ3-NE2 3.43Å |
| 621 | Q | 32.4 | Very low | 32.3 | Very low | 179 Ų | 179 | 163.1 Ų | 163.1 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | | | trans | -102.2 | 127.6 | 159.1 | -67.6 | -176 | -1.8 | 0 | 0 | 107.1 | | |
| 622 | H | 34.5 | Very low | 32.5 | Very low | 155 Ų | 155 | 167.1 Ų | 167.1 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | | | trans | -106.5 | 130.9 | 178.6 | -108.9 | -79.6 | 0 | 0 | 0 | 111.5 | W620 | W620-H622 AromaticContact CE3-CD2 3.69Å; W620-H622 AromaticContact CE3-NE2 3.47Å; W620-H622 AromaticContact CZ3-NE2 3.45Å; W620-H622 WeakPolarHBondContact CZ3-NE2 3.43Å |
| 623 | N | 31.2 | Very low | 32.3 | Very low | 151 Ų | 151 | 166 Ų | 166 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | | | trans | -62.5 | 132.9 | 179.2 | -102.2 | -76.2 | 0 | 0 | 0 | 112.7 | | |
| 624 | F | 32.5 | Very low | 32.5 | Very low | 214 Ų | 214 | 167.3 Ų | 167.3 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | | | trans | -99.1 | 100.4 | 154.8 | -93.1 | -85.2 | 0 | 0 | 0 | 108.5 | | |
| 625 | R | 30 | Very low | 32.3 | Very low | 230 Ų | 230 | 163.3 Ų | 163.3 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -89.8 | 106.4 | 180 | -174.2 | 175.6 | 178.5 | -177 | -0.1 | 109.7 | | |
| 626 | A | 32.7 | Very low | 33.2 | Very low | 89 Ų | 89 | 162.2 Ų | 162.2 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | -77.4 | 133.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 627 | T | 36.4 | Very low | 33.1 | Very low | 118 Ų | 118 | 166 Ų | 166 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | | | trans | -103.3 | 99.6 | 177.6 | -52.5 | 0 | 0 | 0 | 0 | 109.8 | I629 | T627-I629 HydrophobicContact CG2-CG1 4.14Š|
| 628 | F | 29.6 | Very low | 33.3 | Very low | 188 Ų | 188 | 161.3 Ų | 161.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -73 | 130.9 | 161.4 | -95.7 | -98.4 | 0 | 0 | 0 | 109.2 | | |
| 629 | I | 37.2 | Very low | 33.3 | Very low | 119 Ų | 119 | 162.8 Ų | 162.8 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | | | trans | -111.6 | 109.8 | 165.9 | -61.2 | -177.4 | 0 | 0 | 0 | 107.3 | T627 Y631 | T627-I629 HydrophobicContact CG2-CG1 4.14Å; I629-Y631 HydrophobicContact CG2-CD2 3.88Å; I629-Y631 HydrophobicContact CG2-CE2 3.58Å |
| 630 | H | 33.1 | Very low | 33.4 | Very low | 170 Ų | 170 | 159.9 Ų | 159.9 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | | | trans | -78.9 | 124.8 | 166.9 | -112.2 | 90.8 | 0 | 0 | 0 | 108.7 | | |
| 631 | Y | 28.3 | Very low | 34.4 | Very low | 204 Ų | 204 | 155.3 Ų | 155.3 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -102.4 | 127.6 | 161.5 | -80.4 | -83.2 | 0 | 0 | 0 | 108.3 | I629 | I629-Y631 HydrophobicContact CG2-CD2 3.88Å; I629-Y631 HydrophobicContact CG2-CE2 3.58Å |
| 632 | N | 32.9 | Very low | 34.1 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -132.9 | 149.2 | 170.4 | -163.2 | 5.5 | 0 | 0 | 0 | 108.1 | | |
| 633 | T | 37.8 | Very low | 34.1 | Very low | 99 Ų | 99 | 152.6 Ų | 152.6 | 61% | 0.607 | 77% | 0.774 | S | S | * | * | | | trans | -128.9 | 162.6 | -164.7 | 49 | 0 | 0 | 0 | 0 | 113.5 | | |
| 634 | H | 34.7 | Very low | 34 | Very low | 175 Ų | 175 | 155.4 Ų | 155.4 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | 72.4 | 151.7 | -177.9 | -45.2 | -81.9 | 0 | 0 | 0 | 113.8 | | |
| 635 | S | 29.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | cis | -143.2 | 166.6 | 11.4 | -148.4 | 0 | 0 | 0 | 0 | 112 | | |
| 636 | P | 49.2 | Very low | 34.1 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | trans | -109.9 | 177.8 | -168.5 | 37.4 | -27.5 | 0 | 0 | 0 | 117.2 | | |
| 637 | Y | 30.3 | Very low | 34.2 | Very low | 207 Ų | 207 | 152.2 Ų | 152.2 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | trans | 106.5 | 118.9 | 164.4 | -72.3 | -83.8 | 0 | 0 | 0 | 120.3 | | |
| 638 | L | 36.1 | Very low | 34.5 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | | | trans | 59.1 | 129.2 | 150.1 | -59.3 | 165 | 0 | 0 | 0 | 118 | | |
| 639 | K | 31.7 | Very low | 34.7 | Very low | 194 Ų | 194 | 148.9 Ų | 148.9 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | cis | -163.3 | 175.9 | 47.1 | -132 | 162.9 | -176.1 | 172 | 0 | 111.8 | | |
| 640 | T | 31.8 | Very low | 34.5 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | | | trans | -134.8 | -178.5 | 178.8 | 66.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 641 | P | 50.3 | Low | 34.7 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | cis | -133.6 | -156.9 | -7.4 | 42.7 | -24.5 | 0 | 0 | 0 | 113.8 | | |
| 642 | S | 26.9 | Very low | 35 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 97.8 | 132.4 | 159.4 | -169.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 643 | K | 33.2 | Very low | 34.9 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | cis | -162.9 | 145.7 | -9.3 | -106.3 | 172.3 | -160.5 | 168.7 | 0 | 112.2 | | |
| 644 | Y | 29.9 | Very low | 35.3 | Very low | 210 Ų | 210 | 148 Ų | 148 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | 79.8 | 134.3 | 145.7 | -95.5 | -105.7 | 0 | 0 | 0 | 126 | | |
| 645 | S | 30.5 | Very low | 35.3 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | 76.8 | 142.9 | 152.5 | 83.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 646 | R | 34.4 | Very low | 36 | Very low | 246 Ų | 246 | 145.9 Ų | 145.9 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | | | cis | -155.3 | 148.4 | -15.1 | -140.7 | 178.7 | -177.5 | -135.7 | 3.5 | 109.9 | | |
| 647 | S | 35.3 | Very low | 35.4 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | | | trans | -103.7 | 165.1 | -173.8 | -31 | 0 | 0 | 0 | 0 | 114.6 | | |
| 648 | P | 42 | Very low | 35.7 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | -106.2 | 167.3 | 140.4 | 35.9 | -29.1 | 0 | 0 | 0 | 111.6 | | |
| 649 | S | 34.4 | Very low | 35.8 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | | | trans | -144.1 | 158.9 | -161.1 | 55.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 650 | M | 32.3 | Very low | 36.4 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 89% | 0.892 | 81% | 0.81 | S | S | * | * | | | trans | -135.4 | 156.8 | 160.1 | -86.8 | -71 | 101.3 | 0 | 0 | 110 | | |
| 651 | P | 37.5 | Very low | 36.5 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | | | trans | -101.6 | 151.1 | -147.4 | 36.9 | -36.6 | 0 | 0 | 0 | 116.2 | | |
| 652 | N | 33.9 | Very low | 35.9 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | | | trans | -121.4 | 138.4 | 154.7 | -103.3 | 1.7 | 0 | 0 | 0 | 108.4 | | |
| 653 | N | 31.8 | Very low | 36.2 | Very low | 159 Ų | 159 | 155.8 Ų | 155.8 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | | | trans | -110.5 | 119.7 | -175.8 | -173 | 26 | 0 | 0 | 0 | 111.2 | | |
| 654 | P | 46 | Very low | 36.3 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 137.9 | 176.8 | 34.2 | -31.8 | 0 | 0 | 0 | 112.5 | | |
| 655 | S | 33.9 | Very low | 37.4 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 145.7 | 169.6 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 656 | P | 44 | Very low | 37.4 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -83 | 147.2 | -167.8 | 32.5 | -36.3 | 0 | 0 | 0 | 113.9 | | |
| 657 | L | 37.4 | Very low | 37.5 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 94% | 0.942 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 139.4 | 160.1 | -137.2 | 73.2 | 0 | 0 | 0 | 109.1 | | |
| 658 | G | 35.5 | Very low | 37.5 | Very low | 76 Ų | 76 | 144.8 Ų | 144.8 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 152 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 659 | T | 39.1 | Very low | 37.3 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 146.3 | 175 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 660 | P | 44.4 | Very low | 37.3 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 140.3 | 174.9 | 31.7 | -34.6 | 0 | 0 | 0 | 111.8 | | |
| 661 | Q | 34.3 | Very low | 37.7 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | | | trans | -117 | 130.5 | 172.8 | -167.7 | 165.5 | -1.7 | 0 | 0 | 112.6 | | |
| 662 | R | 36.8 | Very low | 37.7 | Very low | 237 Ų | 237 | 147.4 Ų | 147.4 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | | | trans | -73.6 | 130.7 | -173.3 | 178.2 | -170.9 | -167.9 | -125 | 9.3 | 113.4 | | |
| 663 | R | 33.7 | Very low | 37.8 | Very low | 254 Ų | 254 | 143.9 Ų | 143.9 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | | | trans | -149.1 | 168.8 | 146.3 | -108.2 | 176.6 | -166.9 | -142.9 | 1.3 | 110.6 | | |
| 664 | A | 34.4 | Very low | 38.1 | Very low | 93 Ų | 93 | 141.8 Ų | 141.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -122.1 | -155.5 | -156.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 665 | P | 53.6 | Low | 37.8 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | | | trans | -102.3 | 179.6 | -130.6 | 43.1 | -33.1 | 0 | 0 | 0 | 114.6 | | |
| 666 | V | 31.7 | Very low | 38.2 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | | | trans | -166.6 | 162.4 | 135.8 | 132.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 667 | T | 35.9 | Very low | 38.1 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 64% | 0.638 | 82% | 0.815 | S | S | * | * | | | trans | -71.2 | 176.2 | 178.6 | 40 | 0 | 0 | 0 | 0 | 113 | | |
| 668 | H | 34.8 | Very low | 38.4 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | | | cis | -148.6 | 172.4 | 35 | -95.8 | -84.6 | 0 | 0 | 0 | 114.9 | | |
| 669 | Q | 37 | Very low | 38.9 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | -64.5 | 154.6 | 167.8 | -57.4 | 160.3 | -34.9 | 0 | 0 | 112.6 | | |
| 670 | S | 35.6 | Very low | 39.1 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | | | | -160.4 | 135.8 | 121.6 | -154.9 | 0 | 0 | 0 | 0 | 114 | | |
| 671 | Q | 39.7 | Very low | 38.9 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 49.8 | 101.8 | 143.1 | -71.5 | 170.6 | 5 | 0 | 0 | 122.4 | | |
| 672 | T | 37.7 | Very low | 39.8 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | | 48.8 | 124.3 | 118.4 | 58.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 673 | A | 36.5 | Very low | 40.1 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | | -165.7 | 144.4 | 119.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 674 | S | 37.9 | Very low | 40.5 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | 40.1 | 131.5 | 148.1 | -58.1 | 0 | 0 | 0 | 0 | 125 | | |
| 675 | A | 39.6 | Very low | 40.8 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | | | trans | 62.5 | 130.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 676 | L | 41.6 | Very low | 40.1 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | | | cis | 66 | 81.3 | 31.6 | -58 | 177.4 | 0 | 0 | 0 | 116.2 | | |
| 677 | A | 42.8 | Very low | 40.6 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | | | | -153.7 | 143.8 | 128 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 678 | E | 42.7 | Very low | 40.9 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | | | cis | 66.6 | 135.4 | 38.7 | -61.1 | -152.7 | 136.3 | 0 | 0 | 112.8 | | |
| 679 | I | 46.7 | Very low | 41.3 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 71% | 0.708 | 83% | 0.834 | S | S | * | * | | | cis | -155.7 | 174.9 | -2.6 | -129 | 169.6 | 0 | 0 | 0 | 112.2 | | |
| 680 | S | 43.8 | Very low | 41.6 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | | | trans | -19.7 | 153.2 | 163.6 | -163.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 681 | G | 40.6 | Very low | 42 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 84% | 0.844 | S | S | * | * | | | trans | 147.5 | 101.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 682 | K | 52.3 | Low | 42.2 | Very low | 209 Ų | 209 | 131.2 Ų | 131.2 | 91% | 0.909 | 85% | 0.85 | S | S | * | * | | | cis | 66.3 | 77.9 | 38.5 | -112 | -160.8 | -173.8 | -171 | 0 | 114.2 | | |
| 683 | A | 44.5 | Very low | 42.6 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 100% | 1.488 | 85% | 0.852 | S | S | * | * | | | trans | -155.5 | 0 | 132.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |