| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.9 | Very low | 49 | Very low | 221 Ų | 221 | 143.5 Ų | 143.5 | 100% | 1.089 | 70% | 0.696 | S | S | * | * | 0 | -48.9 | 0 | -69.4 | -169.8 | -89.2 | 0 | 0 | 112.5 | Y3 E4 | M1-Y3 PolarHBondContact O-N 3.25Å; M1-E4 PolarHBondContact O-N 3.38Å | |||
| 2 | I | 53.5 | Low | 49.4 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 70% | 0.703 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -53.9 | -26.7 | -174 | -56.8 | 171.9 | 0 | 0 | 0 | 115.6 | ||
| 3 | Y | 45.6 | Very low | 50.3 | Low | 211 Ų | 211 | 141.5 Ų | 141.5 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -81.1 | -15 | -177.3 | -83.1 | -80 | 0 | 0 | 0 | 116.4 | M1 | M1-Y3 PolarHBondContact O-N 3.25Å |
| 4 | E | 48.4 | Very low | 52 | Low | 123 Ų | 123 | 139.2 Ų | 139.2 | 58% | 0.575 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -87 | -32.7 | 176.2 | -74.2 | -59.2 | 140.2 | 0 | 0 | 112.2 | M1 S6 K7 | M1-E4 PolarHBondContact O-N 3.38Å; E4-S6 VanDerWaalsContact C-N 3.27Å; E4-S6 PolarHBondContact O-N 3.47Å; E4-K7 PolarHBondContact O-N 2.99Å |
| 5 | E | 45 | Very low | 54.1 | Low | 143 Ų | 143 | 135.7 Ų | 135.7 | 67% | 0.668 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60.1 | -36.4 | -178.1 | -164.4 | 164.4 | -154 | 0 | 0 | 112.2 | K7 M8 | E5-K7 VanDerWaalsContact C-N 3.29Å; E5-K7 PolarHBondContact O-N 3.09Å; E5-M8 PolarHBondContact O-N 3.36Å |
| 6 | S | 49.1 | Very low | 56.2 | Low | 86 Ų | 86 | 131.7 Ų | 131.7 | 60% | 0.601 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.4 | -21.1 | 175.4 | -55 | 0 | 0 | 0 | 0 | 114.6 | E4 | E4-S6 VanDerWaalsContact C-N 3.27Å; E4-S6 PolarHBondContact O-N 3.47Å |
| 7 | K | 47.3 | Very low | 58.1 | Low | 147 Ų | 147 | 127.1 Ų | 127.1 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -80.2 | -39.6 | 177.1 | -90.6 | -177.6 | 176.4 | 173 | 0 | 112.5 | E4 E5 N9 L10 | E4-K7 PolarHBondContact O-N 2.99Å; E5-K7 VanDerWaalsContact C-N 3.29Å; E5-K7 PolarHBondContact O-N 3.09Å; K7-N9 PolarHBondContact O-N 3.47Å; K7-L10 PolarHBondContact O-N 2.88Å |
| 8 | M | 47.3 | Very low | 59.9 | Low | 136 Ų | 136 | 120.4 Ų | 120.4 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.6 | -13.7 | -178.4 | -63.5 | -161.7 | -64.7 | 0 | 0 | 113.6 | E5 Q12 | E5-M8 PolarHBondContact O-N 3.36Å; M8-Q12 PolarHBondContact O-NE2 3.37Å |
| 9 | N | 47.4 | Very low | 61.3 | Low | 103 Ų | 103 | 118.8 Ų | 118.8 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -84.9 | -36.1 | 178.6 | -155.2 | -29.4 | 0 | 0 | 0 | 112.6 | K7 E11 Q12 E13 | K7-N9 PolarHBondContact O-N 3.47Å; N9-E11 PolarHBondContact O-N 3.44Å; N9-Q12 WeakPolarHBondContact O-CA 3.33Å; N9-Q12 WeakPolarHBondContact O-CB 3.41Å; N9-Q12 PolarHBondContact O-N 2.96Å; N9-E13 PolarHBondContact O-N 2.91Å |
| 10 | L | 54.4 | Low | 62.5 | Low | 110 Ų | 110 | 114.2 Ų | 114.2 | 58% | 0.576 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.3 | -21.6 | -174.4 | -158.8 | 73 | 0 | 0 | 0 | 114 | K7 | K7-L10 PolarHBondContact O-N 2.88Å |
| 11 | E | 52.3 | Low | 63.6 | Low | 162 Ų | 162 | 115.3 Ų | 115.3 | 76% | 0.757 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -22.1 | 171.1 | -63.6 | -162.4 | 141.5 | 0 | 0 | 113.1 | N9 | N9-E11 PolarHBondContact O-N 3.44Š|
| 12 | Q | 53.5 | Low | 65.2 | Low | 143 Ų | 143 | 109.2 Ų | 109.2 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -26.6 | 173.8 | -58.2 | -176.9 | 18.8 | 0 | 0 | 111.5 | M8 N9 R14 | M8-Q12 PolarHBondContact O-NE2 3.37Å; N9-Q12 WeakPolarHBondContact O-CA 3.33Å; N9-Q12 WeakPolarHBondContact O-CB 3.41Å; N9-Q12 PolarHBondContact O-N 2.96Å; Q12-R14 PolarHBondContact O-N 3.5Å |
| 13 | E | 61.5 | Low | 66.8 | Low | 118 Ų | 118 | 103.9 Ų | 103.9 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 9.5 | 176.6 | -150.1 | -177.2 | -141.9 | 0 | 0 | 114.2 | N9 P28 | N9-E13 PolarHBondContact O-N 2.91Å; E13-P28 WeakPolarHBondContact O-CA 3.47Å |
| 14 | R | 74.2 | Confident | 68.7 | Low | 109 Ų | 109 | 98.8 Ų | 98.8 | 41% | 0.411 | 55% | 0.548 | S | S | . | . | trans | -132.2 | 64.6 | 175.2 | -68.1 | -178.9 | 131.4 | 83.7 | -2.5 | 112.9 | Q12 F16 R26 F27 P28 | Q12-R14 PolarHBondContact O-N 3.5Å; R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 PolarHBondContact O-N 3.14Å; R14-R26 HydrophobicContact CB-CB 3.87Å; R14-R26 PolarHBondContact NE-O 3.34Å; R14-F27 CarbonylContact C-O 3.51Å; R14-F27 WeakPolarHBondContact CA-O 3.41Å; R14-P28 HydrophobicContact CG-CG 4.17Å | ||
| 15 | P | 83.1 | Confident | 70.5 | Confident | 87 Ų | 87 | 97.9 Ų | 97.9 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | trans | -71.9 | -19.6 | -176.9 | 29.4 | -34.5 | 0 | 0 | 0 | 113.8 | V17 | P15-V17 PolarHBondContact O-N 3.49Š| ||
| 16 | F | 87.2 | Confident | 72.7 | Confident | 71 Ų | 71 | 97.9 Ų | 97.9 | 31% | 0.311 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 107.6 | -174.7 | -56.5 | -76.5 | 0 | 0 | 0 | 111.1 | R14 R26 F27 P28 T29 E30 L33 | R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 PolarHBondContact O-N 3.14Å; F16-R26 CarbonylContact O-C 3.57Å; F16-R26 WeakPolarHBondContact O-CA 3.38Å; F16-F27 HydrophobicContact CB-CB 4.39Å; F16-F27 PolarHBondContact N-O 2.98Å; F16-F27 PolarHBondContact O-N 2.67Å; F16-P28 WeakPolarHBondContact CD2-O 3.42Å; F16-P28 WeakPolarHBondContact CE2-O 3.45Å; F16-T29 VanDerWaalsContact CD2-CA 3.44Å; F16-E30 HydrophobicContact CD1-CB 3.89Å; F16-E30 WeakPolarHBondContact CD1-OE2 3.39Å; F16-E30 HydrophobicContact CE1-CB 3.86Å; F16-E30 HydrophobicContact CG-CB 4.38Å; F16-E30 HydrophobicContact CZ-CB 4.34Å; F16-L33 HydrophobicContact CB-CB 4.15Å; F16-L33 HydrophobicContact CB-CD2 3.86Å |
| 17 | V | 88.6 | Confident | 74.7 | Confident | 54 Ų | 54 | 95.2 Ų | 95.2 | 33% | 0.327 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.6 | -172.8 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | P15 S19 R26 L33 | P15-V17 PolarHBondContact O-N 3.49Å; V17-S19 PolarHBondContact O-N 3.43Å; V17-R26 HydrophobicContact CB-CG 4.43Å; V17-R26 HydrophobicContact CG1-CG 4.16Å; V17-R26 HydrophobicContact CG2-CG 3.94Å; V17-L33 WeakPolarHBondContact O-CD2 3.46Å |
| 18 | C | 90.9 | Very high | 76.6 | Confident | 7 Ų | 7 | 90.8 Ų | 90.8 | 5% | 0.047 | 50% | 0.502 | C | S | . | . | trans | -67.2 | 129.8 | 172.3 | -167.1 | 0 | 0 | 0 | 0 | 111.6 | C23 Q25 L33 H36 | C18-C23 HydrophobicContact CB-CB 4.33Å; C18-Q25 PolarHBondContact N-O 3.4Å; C18-L33 HydrophobicContact CB-CD1 3.95Å; C18-H36 WeakPolarHBondContact CB-NE2 3.18Å; C18-H36 PolarHBondContact SG-CD2 3.03Å; C18-H36 PolarHBondContact SG-NE2 2.91Å | ||
| 19 | S | 86.3 | Confident | 78.5 | Confident | 90 Ų | 90 | 87 Ų | 87 | 63% | 0.629 | 49% | 0.486 | S | S | * | . | trans | -98.4 | 5.4 | -176.2 | -28 | 0 | 0 | 0 | 0 | 112.8 | V17 R37 | V17-S19 PolarHBondContact O-N 3.43Å; S19-R37 PolarHBondContact OG-NH2 3.38Å | ||
| 20 | A | 85.4 | Confident | 80.5 | Confident | 25 Ų | 25 | 84.9 Ų | 84.9 | 21% | 0.207 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -75.3 | 136.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G22 C23 | A20-G22 PolarHBondContact O-N 2.94Å; A20-C23 HydrophobicContact CB-CB 4.1Å; A20-C23 PolarHBondContact O-N 3.1Å |
| 21 | P | 85.2 | Confident | 82.1 | Confident | 138 Ų | 138 | 84.4 Ų | 84.4 | 90% | 0.896 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 124.8 | 178.1 | -27.3 | 35.3 | 0 | 0 | 0 | 112.2 | C23 | P21-C23 VanDerWaalsContact C-N 3.34Š|
| 22 | G | 82.4 | Confident | 84 | Confident | 94 Ų | 94 | 81.6 Ų | 81.6 | 97% | 0.969 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -0.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A20 | A20-G22 PolarHBondContact O-N 2.94Š|
| 23 | C | 87.6 | Confident | 85.8 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 17% | 0.169 | 43% | 0.427 | C | S | . | . | trans | -105.7 | 134 | 173.2 | -165.2 | 0 | 0 | 0 | 0 | 111.7 | C18 A20 P21 H36 H40 | C18-C23 HydrophobicContact CB-CB 4.33Å; A20-C23 HydrophobicContact CB-CB 4.1Å; A20-C23 PolarHBondContact O-N 3.1Å; P21-C23 VanDerWaalsContact C-N 3.34Å; C23-H36 VanDerWaalsContact SG-CE1 3.57Å; C23-H36 PolarHBondContact SG-NE2 2.87Å; C23-H40 WeakPolarHBondContact CB-NE2 3.14Å; C23-H40 PolarHBondContact SG-NE2 3.39Å; C23-H40 VanDerWaalsContact SG-NE2 3.39Å | ||
| 24 | S | 84.9 | Confident | 87.1 | Confident | 104 Ų | 104 | 73.9 Ų | 73.9 | 73% | 0.727 | 42% | 0.423 | S | S | * | . | trans | -120.9 | 9.9 | -179.7 | 56 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 25 | Q | 88 | Confident | 87.7 | Confident | 104 Ų | 104 | 74.3 Ų | 74.3 | 49% | 0.486 | 43% | 0.432 | S | S | . | . | trans | -67.3 | 140.3 | -174.7 | -64.2 | -169.2 | 10.4 | 0 | 0 | 112.3 | C18 F27 H36 | C18-Q25 PolarHBondContact N-O 3.4Å; Q25-F27 HydrophobicContact CB-CE2 3.78Å; Q25-F27 HydrophobicContact CB-CZ 3.72Å; Q25-H36 VanDerWaalsContact CD-CE1 3.45Å; Q25-H36 PolarHBondContact OE1-CE1 3.07Å; Q25-H36 PolarHBondContact OE1-ND1 3.45Å | ||
| 26 | R | 90.3 | Very high | 88.1 | Confident | 142 Ų | 142 | 71 Ų | 71 | 54% | 0.536 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 141.8 | 179.7 | -53.8 | -165.7 | 175.8 | -160.5 | 1.5 | 111.9 | R14 F16 V17 | R14-R26 HydrophobicContact CB-CB 3.87Å; R14-R26 PolarHBondContact NE-O 3.34Å; F16-R26 CarbonylContact O-C 3.57Å; F16-R26 WeakPolarHBondContact O-CA 3.38Å; V17-R26 HydrophobicContact CB-CG 4.43Å; V17-R26 HydrophobicContact CG1-CG 4.16Å; V17-R26 HydrophobicContact CG2-CG 3.94Å |
| 27 | F | 90.4 | Very high | 88 | Confident | 30 Ų | 30 | 72.5 Ų | 72.5 | 13% | 0.132 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 146.7 | -169.7 | -60.4 | -78.4 | 0 | 0 | 0 | 111.9 | R14 F16 Q25 T29 H32 L33 H36 | R14-F27 CarbonylContact C-O 3.51Å; R14-F27 WeakPolarHBondContact CA-O 3.41Å; F16-F27 HydrophobicContact CB-CB 4.39Å; F16-F27 PolarHBondContact N-O 2.98Å; F16-F27 PolarHBondContact O-N 2.67Å; Q25-F27 HydrophobicContact CB-CE2 3.78Å; Q25-F27 HydrophobicContact CB-CZ 3.72Å; F27-T29 VanDerWaalsContact C-N 3.33Å; F27-H32 HydrophobicContact CB-CB 3.93Å; F27-H32 HydrophobicContact CD1-CB 3.68Å; F27-H32 HydrophobicContact CG-CB 4Å; F27-L33 HydrophobicContact CB-CB 4.37Å; F27-L33 HydrophobicContact CD2-CB 3.87Å; F27-L33 HydrophobicContact CD2-CD1 3.98Å; F27-L33 HydrophobicContact CE2-CD1 4.16Å; F27-L33 HydrophobicContact CG-CB 4.35Å; F27-H36 HydrophobicContact CE1-CB 4.26Å; F27-H36 HydrophobicContact CE2-CB 3.79Å; F27-H36 AromaticContact CE2-CD2 3.67Å; F27-H36 AromaticContact CE2-CG 3.58Å; F27-H36 HydrophobicContact CZ-CB 3.56Å; F27-H36 AromaticContact CZ-CD2 3.91Å; F27-H36 AromaticContact CZ-CG 3.38Å; F27-H36 AromaticContact CZ-ND1 3.52Å |
| 28 | P | 87.5 | Confident | 87.9 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -71.1 | -23.8 | 175.7 | -18.8 | 32.6 | 0 | 0 | 0 | 114.3 | E13 R14 F16 | E13-P28 WeakPolarHBondContact O-CA 3.47Å; R14-P28 HydrophobicContact CG-CG 4.17Å; F16-P28 WeakPolarHBondContact CD2-O 3.42Å; F16-P28 WeakPolarHBondContact CE2-O 3.45Å |
| 29 | T | 86.9 | Confident | 87.5 | Confident | 56 Ų | 56 | 81 Ų | 81 | 34% | 0.344 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -136.4 | 151.6 | 178.9 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | F16 F27 D31 H32 L33 | F16-T29 VanDerWaalsContact CD2-CA 3.44Å; F27-T29 VanDerWaalsContact C-N 3.33Å; T29-D31 VanDerWaalsContact C-N 3.27Å; T29-D31 PolarHBondContact O-N 3.07Å; T29-H32 PolarHBondContact O-N 2.9Å; T29-H32 PolarHBondContact OG1-ND1 2.98Å; T29-L33 PolarHBondContact O-N 3.32Å |
| 30 | E | 89.1 | Confident | 87.2 | Confident | 59 Ų | 59 | 79.9 Ų | 79.9 | 28% | 0.276 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60 | -34.6 | 177.2 | -175.7 | 61.1 | -138.4 | 0 | 0 | 111.8 | F16 H32 L33 M34 R37 | F16-E30 HydrophobicContact CD1-CB 3.89Å; F16-E30 WeakPolarHBondContact CD1-OE2 3.39Å; F16-E30 HydrophobicContact CE1-CB 3.86Å; F16-E30 HydrophobicContact CG-CB 4.38Å; F16-E30 HydrophobicContact CZ-CB 4.34Å; E30-H32 VanDerWaalsContact C-N 3.3Å; E30-H32 PolarHBondContact O-N 2.88Å; E30-L33 CarbonylContact O-C 3.45Å; E30-L33 WeakPolarHBondContact O-CA 3.35Å; E30-L33 WeakPolarHBondContact O-CB 3.35Å; E30-L33 PolarHBondContact O-N 3.28Å; E30-M34 HydrophobicContact CG-CE 4.3Å; E30-M34 HydrophobicContact CG-CG 4.07Å; E30-M34 HydrophobicContact CG-SD 4.37Å; E30-M34 WeakPolarHBondContact O-CG 3.5Å; E30-M34 PolarHBondContact O-N 3.05Å; E30-R37 IonicContact OE1-NH1 3.49Å; E30-R37 PolarHBondContact OE1-NH1 3.46Å |
| 31 | D | 89.4 | Confident | 86.7 | Confident | 100 Ų | 100 | 85.2 Ų | 85.2 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -55 | -43.9 | 177.3 | -62.4 | -29.1 | 0 | 0 | 0 | 112.8 | T29 L33 M34 I35 | T29-D31 VanDerWaalsContact C-N 3.27Å; T29-D31 PolarHBondContact O-N 3.07Å; D31-L33 VanDerWaalsContact C-N 3.32Å; D31-L33 PolarHBondContact O-N 3.16Å; D31-M34 PolarHBondContact O-N 3.31Å; D31-M34 WeakPolarHBondContact OD1-CE 3.31Å; D31-I35 WeakPolarHBondContact O-CD1 3.23Å; D31-I35 VanDerWaalsContact O-CG1 3.27Å; D31-I35 WeakPolarHBondContact O-CG1 3.3Å; D31-I35 PolarHBondContact O-N 3.21Å |
| 32 | H | 91.2 | Very high | 85.8 | Confident | 104 Ų | 104 | 84.9 Ų | 84.9 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.2 | -33.8 | 176.7 | -69 | 104.2 | 0 | 0 | 0 | 111.7 | F27 T29 E30 H36 | F27-H32 HydrophobicContact CB-CB 3.93Å; F27-H32 HydrophobicContact CD1-CB 3.68Å; F27-H32 HydrophobicContact CG-CB 4Å; T29-H32 PolarHBondContact O-N 2.9Å; T29-H32 PolarHBondContact OG1-ND1 2.98Å; E30-H32 VanDerWaalsContact C-N 3.3Å; E30-H32 PolarHBondContact O-N 2.88Å; H32-H36 WeakPolarHBondContact O-CB 3.49Å; H32-H36 PolarHBondContact O-N 2.85Å |
| 33 | L | 90.9 | Very high | 85 | Confident | 2 Ų | 2 | 84.6 Ų | 84.6 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 172.2 | 174.7 | 57.1 | 0 | 0 | 0 | 111.9 | F16 V17 C18 F27 T29 E30 D31 H36 R37 | F16-L33 HydrophobicContact CB-CB 4.15Å; F16-L33 HydrophobicContact CB-CD2 3.86Å; V17-L33 WeakPolarHBondContact O-CD2 3.46Å; C18-L33 HydrophobicContact CB-CD1 3.95Å; F27-L33 HydrophobicContact CB-CB 4.37Å; F27-L33 HydrophobicContact CD2-CB 3.87Å; F27-L33 HydrophobicContact CD2-CD1 3.98Å; F27-L33 HydrophobicContact CE2-CD1 4.16Å; F27-L33 HydrophobicContact CG-CB 4.35Å; T29-L33 PolarHBondContact O-N 3.32Å; E30-L33 CarbonylContact O-C 3.45Å; E30-L33 WeakPolarHBondContact O-CA 3.35Å; E30-L33 WeakPolarHBondContact O-CB 3.35Å; E30-L33 PolarHBondContact O-N 3.28Å; D31-L33 VanDerWaalsContact C-N 3.32Å; D31-L33 PolarHBondContact O-N 3.16Å; L33-H36 CarbonylContact O-C 3.59Å; L33-H36 PolarHBondContact O-N 3.1Å; L33-R37 HydrophobicContact CD1-CG 3.97Å; L33-R37 HydrophobicContact CG-CG 4.37Å; L33-R37 WeakPolarHBondContact O-CB 3.35Å; L33-R37 WeakPolarHBondContact O-CG 3.39Å; L33-R37 PolarHBondContact O-N 2.94Å |
| 34 | M | 89 | Confident | 83.2 | Confident | 97 Ų | 97 | 89.7 Ų | 89.7 | 48% | 0.478 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 176.5 | -71.4 | -168.6 | -69 | 0 | 0 | 111.5 | E30 D31 H36 R37 H38 | E30-M34 HydrophobicContact CG-CE 4.3Å; E30-M34 HydrophobicContact CG-CG 4.07Å; E30-M34 HydrophobicContact CG-SD 4.37Å; E30-M34 WeakPolarHBondContact O-CG 3.5Å; E30-M34 PolarHBondContact O-N 3.05Å; D31-M34 PolarHBondContact O-N 3.31Å; D31-M34 WeakPolarHBondContact OD1-CE 3.31Å; M34-H36 VanDerWaalsContact C-N 3.26Å; M34-H36 PolarHBondContact O-N 2.99Å; M34-R37 PolarHBondContact O-N 3.2Å; M34-H38 PolarHBondContact O-N 3.45Å |
| 35 | I | 88.2 | Confident | 81.7 | Confident | 117 Ų | 117 | 94 Ų | 94 | 60% | 0.6 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.7 | -40.3 | 174.5 | -66.2 | 163.3 | 0 | 0 | 0 | 110.7 | D31 K39 | D31-I35 WeakPolarHBondContact O-CD1 3.23Å; D31-I35 VanDerWaalsContact O-CG1 3.27Å; D31-I35 WeakPolarHBondContact O-CG1 3.3Å; D31-I35 PolarHBondContact O-N 3.21Å; I35-K39 PolarHBondContact O-N 2.86Å |
| 36 | H | 90.2 | Very high | 79.7 | Confident | 18 Ų | 18 | 96.8 Ų | 96.8 | 8% | 0.083 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -69.8 | -40.1 | 176.4 | 173.6 | 88.5 | 0 | 0 | 0 | 113.2 | C18 C23 Q25 F27 H32 L33 M34 H38 K39 H40 | C18-H36 WeakPolarHBondContact CB-NE2 3.18Å; C18-H36 PolarHBondContact SG-CD2 3.03Å; C18-H36 PolarHBondContact SG-NE2 2.91Å; C23-H36 VanDerWaalsContact SG-CE1 3.57Å; C23-H36 PolarHBondContact SG-NE2 2.87Å; Q25-H36 VanDerWaalsContact CD-CE1 3.45Å; Q25-H36 PolarHBondContact OE1-CE1 3.07Å; Q25-H36 PolarHBondContact OE1-ND1 3.45Å; F27-H36 HydrophobicContact CE1-CB 4.26Å; F27-H36 HydrophobicContact CE2-CB 3.79Å; F27-H36 AromaticContact CE2-CD2 3.67Å; F27-H36 AromaticContact CE2-CG 3.58Å; F27-H36 HydrophobicContact CZ-CB 3.56Å; F27-H36 AromaticContact CZ-CD2 3.91Å; F27-H36 AromaticContact CZ-CG 3.38Å; F27-H36 AromaticContact CZ-ND1 3.52Å; H32-H36 WeakPolarHBondContact O-CB 3.49Å; H32-H36 PolarHBondContact O-N 2.85Å; L33-H36 CarbonylContact O-C 3.59Å; L33-H36 PolarHBondContact O-N 3.1Å; M34-H36 VanDerWaalsContact C-N 3.26Å; M34-H36 PolarHBondContact O-N 2.99Å; H36-H38 VanDerWaalsContact C-N 3.32Å; H36-H38 PolarHBondContact O-N 2.99Å; H36-K39 WeakPolarHBondContact O-CB 3.42Å; H36-K39 PolarHBondContact O-N 2.99Å; H36-K39 VanDerWaalsContact O-N 3.14Å; H36-H40 AromaticContact CD2-CD2 3.93Å; H36-H40 AromaticContact CE1-NE2 3.68Å; H36-H40 AromaticContact NE2-CD2 3.58Å; H36-H40 AromaticContact NE2-NE2 3.19Å; H36-H40 PolarHBondContact NE2-NE2 3.42Å; H36-H40 VanDerWaalsContact NE2-NE2 3.19Å; H36-H40 PolarHBondContact O-N 3.3Å |
| 37 | R | 86.8 | Confident | 77.2 | Confident | 102 Ų | 102 | 95.4 Ų | 95.4 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 173.2 | -80.5 | 171.5 | 166.1 | 158.9 | -5.8 | 111 | S19 E30 L33 M34 K39 H40 E41 | S19-R37 PolarHBondContact OG-NH2 3.38Å; E30-R37 IonicContact OE1-NH1 3.49Å; E30-R37 PolarHBondContact OE1-NH1 3.46Å; L33-R37 HydrophobicContact CD1-CG 3.97Å; L33-R37 HydrophobicContact CG-CG 4.37Å; L33-R37 WeakPolarHBondContact O-CB 3.35Å; L33-R37 WeakPolarHBondContact O-CG 3.39Å; L33-R37 PolarHBondContact O-N 2.94Å; M34-R37 PolarHBondContact O-N 3.2Å; R37-K39 PolarHBondContact O-N 3.41Å; R37-H40 WeakPolarHBondContact O-CA 3.41Å; R37-H40 WeakPolarHBondContact O-CB 3.4Å; R37-H40 PolarHBondContact O-N 3.48Å; R37-E41 PolarHBondContact O-N 3.38Å; R37-E41 VanDerWaalsContact O-N 3.11Å |
| 38 | H | 85.2 | Confident | 74.8 | Confident | 99 Ų | 99 | 99.5 Ų | 99.5 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -27.5 | 176 | -163.7 | 58 | 0 | 0 | 0 | 112.7 | M34 H36 E41 M42 | M34-H38 PolarHBondContact O-N 3.45Å; H36-H38 VanDerWaalsContact C-N 3.32Å; H36-H38 PolarHBondContact O-N 2.99Å; H38-E41 IonicContact CE1-OE2 2.79Å; H38-E41 PolarHBondContact CE1-OE2 3.33Å; H38-E41 IonicContact CG-OE2 3.63Å; H38-E41 IonicContact ND1-OE2 3.53Å; H38-E41 PolarHBondContact ND1-OE2 3.31Å; H38-E41 WeakPolarHBondContact O-CB 3.43Å; H38-E41 PolarHBondContact O-N 3Å; H38-M42 WeakPolarHBondContact CE1-CE 3.45Å; H38-M42 WeakPolarHBondContact O-CB 3.47Å; H38-M42 WeakPolarHBondContact O-CG 3.4Å; H38-M42 PolarHBondContact O-N 3.28Å |
| 39 | K | 82.1 | Confident | 72.9 | Confident | 141 Ų | 141 | 103.6 Ų | 103.6 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.5 | -35 | 167.7 | -70.1 | -176.4 | 62.6 | 180 | 0 | 113 | I35 H36 R37 E41 T43 | I35-K39 PolarHBondContact O-N 2.86Å; H36-K39 WeakPolarHBondContact O-CB 3.42Å; H36-K39 PolarHBondContact O-N 2.99Å; H36-K39 VanDerWaalsContact O-N 3.14Å; R37-K39 PolarHBondContact O-N 3.41Å; K39-E41 VanDerWaalsContact C-N 3.3Å; K39-T43 WeakPolarHBondContact O-CB 3.37Å; K39-T43 PolarHBondContact O-N 3.34Å; K39-T43 PolarHBondContact O-OG1 2.88Å |
| 40 | H | 81.3 | Confident | 71 | Confident | 67 Ų | 67 | 110.8 Ų | 110.8 | 31% | 0.31 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.4 | -25.2 | 174.7 | -75.9 | -70.7 | 0 | 0 | 0 | 112.9 | C23 H36 R37 | C23-H40 WeakPolarHBondContact CB-NE2 3.14Å; C23-H40 PolarHBondContact SG-NE2 3.39Å; C23-H40 VanDerWaalsContact SG-NE2 3.39Å; H36-H40 AromaticContact CD2-CD2 3.93Å; H36-H40 AromaticContact CE1-NE2 3.68Å; H36-H40 AromaticContact NE2-CD2 3.58Å; H36-H40 AromaticContact NE2-NE2 3.19Å; H36-H40 PolarHBondContact NE2-NE2 3.42Å; H36-H40 VanDerWaalsContact NE2-NE2 3.19Å; H36-H40 PolarHBondContact O-N 3.3Å; R37-H40 WeakPolarHBondContact O-CA 3.41Å; R37-H40 WeakPolarHBondContact O-CB 3.4Å; R37-H40 PolarHBondContact O-N 3.48Å |
| 41 | E | 75.4 | Confident | 68.5 | Low | 137 Ų | 137 | 113.4 Ų | 113.4 | 64% | 0.64 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.1 | -44.6 | 172.4 | -176.1 | 173 | -146.3 | 0 | 0 | 111.7 | R37 H38 K39 T43 | R37-E41 PolarHBondContact O-N 3.38Å; R37-E41 VanDerWaalsContact O-N 3.11Å; H38-E41 IonicContact CE1-OE2 2.79Å; H38-E41 PolarHBondContact CE1-OE2 3.33Å; H38-E41 IonicContact CG-OE2 3.63Å; H38-E41 IonicContact ND1-OE2 3.53Å; H38-E41 PolarHBondContact ND1-OE2 3.31Å; H38-E41 WeakPolarHBondContact O-CB 3.43Å; H38-E41 PolarHBondContact O-N 3Å; K39-E41 VanDerWaalsContact C-N 3.3Å; E41-T43 VanDerWaalsContact C-N 3.31Å; E41-T43 PolarHBondContact O-N 3.19Å |
| 42 | M | 65.8 | Low | 65.9 | Low | 130 Ų | 130 | 115.8 Ų | 115.8 | 64% | 0.64 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -81.3 | -3.5 | 179 | -65.9 | -65.8 | 162.7 | 0 | 0 | 114.4 | H38 | H38-M42 WeakPolarHBondContact CE1-CE 3.45Å; H38-M42 WeakPolarHBondContact O-CB 3.47Å; H38-M42 WeakPolarHBondContact O-CG 3.4Å; H38-M42 PolarHBondContact O-N 3.28Å |
| 43 | T | 64.4 | Low | 63.7 | Low | 88 Ų | 88 | 117.9 Ų | 117.9 | 54% | 0.54 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -91 | 112.5 | 170.3 | -58.7 | 0 | 0 | 0 | 0 | 109 | K39 E41 K45 | K39-T43 WeakPolarHBondContact O-CB 3.37Å; K39-T43 PolarHBondContact O-N 3.34Å; K39-T43 PolarHBondContact O-OG1 2.88Å; E41-T43 VanDerWaalsContact C-N 3.31Å; E41-T43 PolarHBondContact O-N 3.19Å; T43-K45 PolarHBondContact O-N 3.05Å |
| 44 | L | 51.3 | Low | 61.6 | Low | 133 Ų | 133 | 125.2 Ų | 125.2 | 70% | 0.696 | 63% | 0.63 | S | S | * | * | trans | -53 | 123.6 | -179.9 | -65.1 | 176.1 | 0 | 0 | 0 | 111.5 | F46 | L44-F46 VanDerWaalsContact C-N 3.26Å; L44-F46 HydrophobicContact CB-CD2 4.1Å; L44-F46 HydrophobicContact CB-CE2 3.6Å; L44-F46 HydrophobicContact CB-CZ 4.05Å; L44-F46 HydrophobicContact CD1-CE2 4.11Å; L44-F46 HydrophobicContact CD1-CZ 3.94Å; L44-F46 WeakPolarHBondContact O-CD2 3.45Å; L44-F46 PolarHBondContact O-N 3.36Å | ||
| 45 | K | 53.3 | Low | 59.6 | Low | 193 Ų | 193 | 127.3 Ų | 127.3 | 84% | 0.839 | 64% | 0.642 | S | S | * | * | trans | -77.4 | 71.3 | -178.9 | -68.7 | 179.4 | -178.3 | 169.8 | 0 | 111.7 | T43 | T43-K45 PolarHBondContact O-N 3.05Š| ||
| 46 | F | 45.3 | Very low | 57.6 | Low | 164 Ų | 164 | 127 Ų | 127 | 72% | 0.719 | 65% | 0.65 | S | S | * | * | trans | -63.3 | 136.6 | 164.9 | -62.9 | -72.8 | 0 | 0 | 0 | 109.9 | L44 S48 | L44-F46 VanDerWaalsContact C-N 3.26Å; L44-F46 HydrophobicContact CB-CD2 4.1Å; L44-F46 HydrophobicContact CB-CE2 3.6Å; L44-F46 HydrophobicContact CB-CZ 4.05Å; L44-F46 HydrophobicContact CD1-CE2 4.11Å; L44-F46 HydrophobicContact CD1-CZ 3.94Å; L44-F46 WeakPolarHBondContact O-CD2 3.45Å; L44-F46 PolarHBondContact O-N 3.36Å; F46-S48 PolarHBondContact O-N 2.9Å | ||
| 47 | P | 38.4 | Very low | 55.4 | Low | 113 Ų | 113 | 133.4 Ų | 133.4 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | trans | -54.9 | 137.5 | 170.2 | -24.9 | 34.7 | 0 | 0 | 0 | 110.5 | I49 | P47-I49 PolarHBondContact O-N 3.45Š| ||
| 48 | S | 38.7 | Very low | 53.6 | Low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | trans | -68.6 | 96.6 | -178.6 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | F46 K50 | F46-S48 PolarHBondContact O-N 2.9Å; S48-K50 PolarHBondContact O-N 2.97Å | ||
| 49 | I | 48.3 | Very low | 52.2 | Low | 139 Ų | 139 | 137 Ų | 137 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | -68.6 | 117.3 | 170.4 | -41.9 | 176.7 | 0 | 0 | 0 | 107.1 | P47 T51 | P47-I49 PolarHBondContact O-N 3.45Å; I49-T51 HydrophobicContact CG2-CG2 4.26Å; I49-T51 PolarHBondContact O-N 3.11Å | ||
| 50 | K | 47.8 | Very low | 50.8 | Low | 207 Ų | 207 | 132.6 Ų | 132.6 | 90% | 0.9 | 70% | 0.701 | S | S | * | * | trans | -72.6 | 90.3 | 174.7 | -79.1 | -175.1 | 172 | -177.2 | 0 | 110.2 | S48 | S48-K50 PolarHBondContact O-N 2.97Š| ||
| 51 | T | 36.6 | Very low | 49.9 | Very low | 115 Ų | 115 | 134 Ų | 134 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | -140.8 | 151.7 | 170.9 | 46 | 0 | 0 | 0 | 0 | 110.3 | I49 | I49-T51 HydrophobicContact CG2-CG2 4.26Å; I49-T51 PolarHBondContact O-N 3.11Å | ||
| 52 | D | 34.5 | Very low | 49.3 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | trans | -61.1 | 155.8 | -160.7 | -88.8 | -82.5 | 0 | 0 | 0 | 118.4 | M54 | D52-M54 PolarHBondContact O-N 3.2Š| ||
| 53 | N | 44.4 | Very low | 49.2 | Very low | 148 Ų | 148 | 131 Ų | 131 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 36.5 | -168.2 | -170.5 | 58.1 | 0 | 0 | 0 | 114.9 | ||
| 54 | M | 46.5 | Very low | 49.5 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | 9.1 | -164.6 | -73.3 | -80.3 | 93.8 | 0 | 0 | 116.2 | D52 | D52-M54 PolarHBondContact O-N 3.2Š|
| 55 | L | 47.4 | Very low | 50.4 | Low | 142 Ų | 142 | 133.4 Ų | 133.4 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | -133.7 | 24.1 | -173.9 | -69.7 | 175.5 | 0 | 0 | 0 | 115.6 | D57 | L55-D57 PolarHBondContact O-N 2.97Š| ||
| 56 | S | 46.7 | Very low | 51.5 | Low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -20.9 | -174.1 | 46.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 57 | D | 43.9 | Very low | 52.6 | Low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 3.6 | -171.2 | -66.3 | -51.6 | 0 | 0 | 0 | 115.1 | L55 T59 | L55-D57 PolarHBondContact O-N 2.97Å; D57-T59 PolarHBondContact O-N 3.45Å |
| 58 | Q | 48.6 | Very low | 54 | Low | 153 Ų | 153 | 124.6 Ų | 124.6 | 72% | 0.715 | 67% | 0.665 | S | S | * | * | trans | -77.9 | 87.9 | 171.7 | -76.3 | -73.4 | 4 | 0 | 0 | 110.5 | P60 | Q58-P60 WeakPolarHBondContact O-CD 3.33Å; Q58-P60 VanDerWaalsContact O-N 3.12Å | ||
| 59 | T | 54.8 | Low | 55.5 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | trans | -56.8 | 115.5 | 162 | -62.4 | 0 | 0 | 0 | 0 | 107.5 | D57 T61 | D57-T59 PolarHBondContact O-N 3.45Å; T59-T61 PolarHBondContact O-N 3.04Å | ||
| 60 | P | 54 | Low | 56.6 | Low | 49 Ų | 49 | 119.5 Ų | 119.5 | 32% | 0.318 | 63% | 0.627 | S | S | . | * | trans | -62.4 | 129.9 | -173.4 | 24.3 | -33.2 | 0 | 0 | 0 | 109.8 | Q58 R64 F65 | Q58-P60 WeakPolarHBondContact O-CD 3.33Å; Q58-P60 VanDerWaalsContact O-N 3.12Å; P60-R64 HydrophobicContact CB-CB 4.36Å; P60-R64 HydrophobicContact CB-CG 4.48Å; P60-F65 HydrophobicContact CG-CB 4.37Å; P60-F65 HydrophobicContact CG-CD2 4.44Å | ||
| 61 | T | 62.6 | Low | 57.6 | Low | 95 Ų | 95 | 116.9 Ų | 116.9 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | trans | -47.1 | 139.2 | 174.8 | -16.8 | 0 | 0 | 0 | 0 | 109.2 | T59 T63 R64 F65 | T59-T61 PolarHBondContact O-N 3.04Å; T61-T63 PolarHBondContact O-N 3.46Å; T61-R64 WeakPolarHBondContact O-CA 3.48Å; T61-R64 WeakPolarHBondContact O-CB 3.31Å; T61-R64 PolarHBondContact O-N 3.2Å; T61-F65 PolarHBondContact O-N 3.05Å; T61-F65 VanDerWaalsContact O-N 3.12Å | ||
| 62 | P | 61.3 | Low | 59.3 | Low | 93 Ų | 93 | 116.6 Ų | 116.6 | 60% | 0.604 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -51.2 | -36.1 | -170.4 | -32.2 | 37 | 0 | 0 | 0 | 114.5 | R64 F65 L66 | P62-R64 PolarHBondContact O-N 3.3Å; P62-F65 PolarHBondContact O-N 3.14Å; P62-L66 WeakPolarHBondContact O-CB 3.44Å; P62-L66 WeakPolarHBondContact O-CG 3.39Å; P62-L66 PolarHBondContact O-N 2.95Å |
| 63 | T | 64.9 | Low | 60.8 | Low | 113 Ų | 113 | 110.8 Ų | 110.8 | 69% | 0.693 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.1 | -40.2 | 173.1 | -30.5 | 0 | 0 | 0 | 0 | 113.7 | T61 K67 | T61-T63 PolarHBondContact O-N 3.46Å; T63-K67 WeakPolarHBondContact O-CB 3.38Å; T63-K67 PolarHBondContact O-N 2.9Å |
| 64 | R | 71.1 | Confident | 61.9 | Low | 152 Ų | 152 | 109 Ų | 109 | 57% | 0.574 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.9 | -35.3 | 176.8 | -171.4 | 175.3 | -171.4 | -94.8 | -3.9 | 111.6 | P60 T61 P62 N68 | P60-R64 HydrophobicContact CB-CB 4.36Å; P60-R64 HydrophobicContact CB-CG 4.48Å; T61-R64 WeakPolarHBondContact O-CA 3.48Å; T61-R64 WeakPolarHBondContact O-CB 3.31Å; T61-R64 PolarHBondContact O-N 3.2Å; P62-R64 PolarHBondContact O-N 3.3Å; R64-N68 WeakPolarHBondContact O-CB 3.45Å; R64-N68 PolarHBondContact O-N 3.26Å; R64-N68 PolarHBondContact O-OD1 2.75Å; R64-N68 VanDerWaalsContact O-OD1 3.07Å |
| 65 | F | 69.1 | Low | 62.7 | Low | 118 Ų | 118 | 105.8 Ų | 105.8 | 52% | 0.518 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.3 | -49 | 172.6 | -178.5 | -96.4 | 0 | 0 | 0 | 111.1 | P60 T61 P62 K67 N68 C69 | P60-F65 HydrophobicContact CG-CB 4.37Å; P60-F65 HydrophobicContact CG-CD2 4.44Å; T61-F65 PolarHBondContact O-N 3.05Å; T61-F65 VanDerWaalsContact O-N 3.12Å; P62-F65 PolarHBondContact O-N 3.14Å; F65-K67 PolarHBondContact O-N 3.23Å; F65-N68 PolarHBondContact O-N 3.12Å; F65-C69 PolarHBondContact O-N 3Å; F65-C69 PolarHBondContact O-SG 3.48Å; F65-C69 VanDerWaalsContact O-SG 3.37Å |
| 66 | L | 75.9 | Confident | 63.6 | Low | 94 Ų | 94 | 102.5 Ų | 102.5 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59 | -45.8 | 176.8 | -72.5 | 167.6 | 0 | 0 | 0 | 112 | P62 N68 C69 E70 F75 | P62-L66 WeakPolarHBondContact O-CB 3.44Å; P62-L66 WeakPolarHBondContact O-CG 3.39Å; P62-L66 PolarHBondContact O-N 2.95Å; L66-N68 PolarHBondContact O-N 3.43Å; L66-C69 WeakPolarHBondContact O-CB 3.39Å; L66-C69 PolarHBondContact O-N 3.13Å; L66-C69 VanDerWaalsContact O-N 3.11Å; L66-E70 PolarHBondContact O-N 3.28Å; L66-F75 HydrophobicContact CD2-CZ 4.26Å |
| 67 | K | 68.3 | Low | 64.2 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.6 | -39.2 | 176 | -172.8 | 173.4 | -178.5 | 178.7 | 0 | 112.7 | T63 F65 C69 E70 E71 | T63-K67 WeakPolarHBondContact O-CB 3.38Å; T63-K67 PolarHBondContact O-N 2.9Å; F65-K67 PolarHBondContact O-N 3.23Å; K67-C69 VanDerWaalsContact C-N 3.3Å; K67-C69 PolarHBondContact O-N 2.88Å; K67-E70 WeakPolarHBondContact O-CB 3.46Å; K67-E70 PolarHBondContact O-N 2.89Å; K67-E71 VanDerWaalsContact O-CB 3.3Å; K67-E71 WeakPolarHBondContact O-CB 3.23Å; K67-E71 PolarHBondContact O-N 3.04Å |
| 68 | N | 69.1 | Low | 64.9 | Low | 61 Ų | 61 | 103.1 Ų | 103.1 | 33% | 0.326 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 174.3 | -72.1 | 13.6 | 0 | 0 | 0 | 111.8 | R64 F65 L66 V72 | R64-N68 WeakPolarHBondContact O-CB 3.45Å; R64-N68 PolarHBondContact O-N 3.26Å; R64-N68 PolarHBondContact O-OD1 2.75Å; R64-N68 VanDerWaalsContact O-OD1 3.07Å; F65-N68 PolarHBondContact O-N 3.12Å; L66-N68 PolarHBondContact O-N 3.43Å; N68-V72 PolarHBondContact O-N 2.85Å |
| 69 | C | 70.2 | Confident | 65.5 | Low | 15 Ų | 15 | 100.9 Ų | 100.9 | 10% | 0.101 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 174.3 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | F65 L66 K67 V72 G73 L74 F75 | F65-C69 PolarHBondContact O-N 3Å; F65-C69 PolarHBondContact O-SG 3.48Å; F65-C69 VanDerWaalsContact O-SG 3.37Å; L66-C69 WeakPolarHBondContact O-CB 3.39Å; L66-C69 PolarHBondContact O-N 3.13Å; L66-C69 VanDerWaalsContact O-N 3.11Å; K67-C69 VanDerWaalsContact C-N 3.3Å; K67-C69 PolarHBondContact O-N 2.88Å; C69-V72 WeakPolarHBondContact O-CG2 3.35Å; C69-V72 PolarHBondContact O-N 3.4Å; C69-G73 PolarHBondContact O-N 3.22Å; C69-L74 HydrophobicContact CB-CB 4.22Å; C69-L74 HydrophobicContact CB-CD1 4.17Å; C69-L74 WeakPolarHBondContact O-CB 3.34Å; C69-L74 PolarHBondContact O-N 3.37Å; C69-F75 HydrophobicContact CB-CE2 3.84Å; C69-F75 HydrophobicContact CB-CZ 4.44Å |
| 70 | E | 70.8 | Confident | 65.7 | Low | 134 Ų | 134 | 99.5 Ų | 99.5 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.7 | -45.2 | 171.7 | -174.9 | -178.7 | -157.4 | 0 | 0 | 111.2 | L66 K67 V72 G73 F75 | L66-E70 PolarHBondContact O-N 3.28Å; K67-E70 WeakPolarHBondContact O-CB 3.46Å; K67-E70 PolarHBondContact O-N 2.89Å; E70-V72 VanDerWaalsContact C-N 3.3Å; E70-V72 PolarHBondContact O-N 3.25Å; E70-G73 PolarHBondContact O-N 3.26Å; E70-F75 HydrophobicContact CB-CD2 4.42Å |
| 71 | E | 69.4 | Low | 66.2 | Low | 151 Ų | 151 | 100.8 Ų | 100.8 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68 | -21.6 | 179.2 | -169.7 | 167.4 | -165.3 | 0 | 0 | 114.1 | K67 | K67-E71 VanDerWaalsContact O-CB 3.3Å; K67-E71 WeakPolarHBondContact O-CB 3.23Å; K67-E71 PolarHBondContact O-N 3.04Å |
| 72 | V | 72.3 | Confident | 66.4 | Low | 109 Ų | 109 | 101.1 Ų | 101.1 | 66% | 0.661 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 11.7 | 169.4 | -55.6 | 0 | 0 | 0 | 0 | 113.8 | N68 C69 E70 L74 | N68-V72 PolarHBondContact O-N 2.85Å; C69-V72 WeakPolarHBondContact O-CG2 3.35Å; C69-V72 PolarHBondContact O-N 3.4Å; E70-V72 VanDerWaalsContact C-N 3.3Å; E70-V72 PolarHBondContact O-N 3.25Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 HydrophobicContact CG2-CB 4.33Å; V72-L74 HydrophobicContact CG2-CD1 4.25Å; V72-L74 HydrophobicContact CG2-CG 4.48Å; V72-L74 PolarHBondContact O-N 2.93Å |
| 73 | G | 65.6 | Low | 66.9 | Low | 29 Ų | 29 | 102.9 Ų | 102.9 | 30% | 0.299 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 15 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C69 E70 F75 S76 | C69-G73 PolarHBondContact O-N 3.22Å; E70-G73 PolarHBondContact O-N 3.26Å; G73-F75 PolarHBondContact O-N 2.96Å; G73-S76 PolarHBondContact O-N 3.5Å; G73-S76 PolarHBondContact O-OG 3.05Å |
| 74 | L | 66.9 | Low | 67.1 | Low | 110 Ų | 110 | 103.7 Ų | 103.7 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.5 | -171.3 | -124.5 | 169.6 | 0 | 0 | 0 | 114.4 | C69 V72 | C69-L74 HydrophobicContact CB-CB 4.22Å; C69-L74 HydrophobicContact CB-CD1 4.17Å; C69-L74 WeakPolarHBondContact O-CB 3.34Å; C69-L74 PolarHBondContact O-N 3.37Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 HydrophobicContact CG2-CB 4.33Å; V72-L74 HydrophobicContact CG2-CD1 4.25Å; V72-L74 HydrophobicContact CG2-CG 4.48Å; V72-L74 PolarHBondContact O-N 2.93Å |
| 75 | F | 63.4 | Low | 67.1 | Low | 88 Ų | 88 | 102.8 Ų | 102.8 | 39% | 0.386 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -16.5 | 176.8 | -62.4 | -76.7 | 0 | 0 | 0 | 113.6 | L66 C69 E70 G73 E77 L78 D79 | L66-F75 HydrophobicContact CD2-CZ 4.26Å; C69-F75 HydrophobicContact CB-CE2 3.84Å; C69-F75 HydrophobicContact CB-CZ 4.44Å; E70-F75 HydrophobicContact CB-CD2 4.42Å; G73-F75 PolarHBondContact O-N 2.96Å; F75-E77 VanDerWaalsContact C-N 3.26Å; F75-E77 PolarHBondContact O-N 3.02Å; F75-L78 HydrophobicContact CD1-CD1 4.06Å; F75-L78 WeakPolarHBondContact O-CB 3.32Å; F75-L78 PolarHBondContact O-N 2.87Å; F75-D79 PolarHBondContact O-N 3.03Å |
| 76 | S | 65.7 | Low | 67.2 | Low | 73 Ų | 73 | 104.3 Ų | 104.3 | 51% | 0.51 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -27 | -172.2 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | G73 C80 | G73-S76 PolarHBondContact O-N 3.5Å; G73-S76 PolarHBondContact O-OG 3.05Å; S76-C80 PolarHBondContact O-SG 3.19Å |
| 77 | E | 60.3 | Low | 67.1 | Low | 170 Ų | 170 | 106.7 Ų | 106.7 | 79% | 0.794 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.4 | -28.4 | 173.2 | -63.4 | -175.3 | 167.8 | 0 | 0 | 112.6 | F75 S81 | F75-E77 VanDerWaalsContact C-N 3.26Å; F75-E77 PolarHBondContact O-N 3.02Å; E77-S81 WeakPolarHBondContact O-CB 3.49Å; E77-S81 PolarHBondContact O-N 3.27Å; E77-S81 VanDerWaalsContact O-N 3.17Å |
| 78 | L | 58.9 | Low | 67.3 | Low | 104 Ų | 104 | 106.6 Ų | 106.6 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -74.5 | -43.1 | -178.7 | -66 | 171.4 | 0 | 0 | 0 | 111.4 | F75 S81 L82 | F75-L78 HydrophobicContact CD1-CD1 4.06Å; F75-L78 WeakPolarHBondContact O-CB 3.32Å; F75-L78 PolarHBondContact O-N 2.87Å; L78-S81 PolarHBondContact O-N 3.37Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 PolarHBondContact O-N 3.02Å |
| 79 | D | 60.6 | Low | 67.4 | Low | 107 Ų | 107 | 106.5 Ų | 106.5 | 57% | 0.572 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60 | -48.4 | 177.8 | -63.5 | -36.3 | 0 | 0 | 0 | 110.9 | F75 S81 L82 E83 | F75-D79 PolarHBondContact O-N 3.03Å; D79-S81 VanDerWaalsContact C-N 3.32Å; D79-S81 PolarHBondContact O-N 3.45Å; D79-L82 PolarHBondContact O-N 2.88Å; D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 PolarHBondContact O-N 2.93Å |
| 80 | C | 58.4 | Low | 67.5 | Low | 94 Ų | 94 | 112.5 Ų | 112.5 | 64% | 0.635 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.6 | -35.4 | 176.8 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | S76 H84 | S76-C80 PolarHBondContact O-SG 3.19Å; C80-H84 WeakPolarHBondContact O-CB 3.49Å; C80-H84 PolarHBondContact O-N 2.98Å |
| 81 | S | 65.3 | Low | 67.6 | Low | 76 Ų | 76 | 111.6 Ų | 111.6 | 53% | 0.531 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.7 | -47.1 | 177.4 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | E77 L78 D79 E85 | E77-S81 WeakPolarHBondContact O-CB 3.49Å; E77-S81 PolarHBondContact O-N 3.27Å; E77-S81 VanDerWaalsContact O-N 3.17Å; L78-S81 PolarHBondContact O-N 3.37Å; D79-S81 VanDerWaalsContact C-N 3.32Å; D79-S81 PolarHBondContact O-N 3.45Å; S81-E85 PolarHBondContact O-N 3.33Å; S81-E85 VanDerWaalsContact O-N 3.13Å |
| 82 | L | 67.9 | Low | 67.6 | Low | 102 Ų | 102 | 109.4 Ų | 109.4 | 53% | 0.534 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.6 | -45.4 | -175.9 | -159 | 89.5 | 0 | 0 | 0 | 111.9 | L78 D79 H84 E85 F86 | L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 PolarHBondContact O-N 3.02Å; D79-L82 PolarHBondContact O-N 2.88Å; L82-H84 VanDerWaalsContact C-N 3.31Å; L82-H84 PolarHBondContact O-N 3.12Å; L82-E85 PolarHBondContact O-N 2.93Å; L82-F86 HydrophobicContact CD2-CD2 4.45Å; L82-F86 HydrophobicContact CD2-CE2 4.09Å; L82-F86 HydrophobicContact CG-CD2 4.18Å; L82-F86 HydrophobicContact CG-CE2 4.07Å; L82-F86 WeakPolarHBondContact O-CD2 3.3Å; L82-F86 PolarHBondContact O-N 3.43Å |
| 83 | E | 70.1 | Confident | 67.5 | Low | 130 Ų | 130 | 108.8 Ų | 108.8 | 61% | 0.607 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.9 | -29.3 | -176.9 | -167.1 | 171.1 | -159.5 | 0 | 0 | 112.5 | D79 R87 | D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 PolarHBondContact O-N 2.93Å; E83-R87 PolarHBondContact O-N 2.97Å |
| 84 | H | 69.3 | Low | 67.5 | Low | 131 Ų | 131 | 110.6 Ų | 110.6 | 61% | 0.606 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.6 | -40.4 | 170.3 | 176.3 | -109.6 | 0 | 0 | 0 | 112.2 | C80 L82 R87 K88 | C80-H84 WeakPolarHBondContact O-CB 3.49Å; C80-H84 PolarHBondContact O-N 2.98Å; L82-H84 VanDerWaalsContact C-N 3.31Å; L82-H84 PolarHBondContact O-N 3.12Å; H84-R87 PolarHBondContact O-N 3.45Å; H84-K88 WeakPolarHBondContact O-CB 3.43Å; H84-K88 PolarHBondContact O-N 3.37Å |
| 85 | E | 70.9 | Confident | 67.7 | Low | 133 Ų | 133 | 108.6 Ų | 108.6 | 62% | 0.621 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66 | -42.8 | 178.8 | -170.3 | 163.9 | -134.4 | 0 | 0 | 112.3 | S81 L82 K88 A89 | S81-E85 PolarHBondContact O-N 3.33Å; S81-E85 VanDerWaalsContact O-N 3.13Å; L82-E85 PolarHBondContact O-N 2.93Å; E85-K88 PolarHBondContact O-N 2.65Å; E85-A89 PolarHBondContact O-N 3.04Å; E85-A89 VanDerWaalsContact O-N 3.08Å |
| 86 | F | 72 | Confident | 67.8 | Low | 149 Ų | 149 | 110.4 Ų | 110.4 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.1 | -45 | 173.1 | -89.5 | -74.6 | 0 | 0 | 0 | 112.9 | L82 K88 A89 Q90 | L82-F86 HydrophobicContact CD2-CD2 4.45Å; L82-F86 HydrophobicContact CD2-CE2 4.09Å; L82-F86 HydrophobicContact CG-CD2 4.18Å; L82-F86 HydrophobicContact CG-CE2 4.07Å; L82-F86 WeakPolarHBondContact O-CD2 3.3Å; L82-F86 PolarHBondContact O-N 3.43Å; F86-K88 PolarHBondContact O-N 3.03Å; F86-A89 PolarHBondContact O-N 3.4Å; F86-Q90 PolarHBondContact O-N 3.47Å; F86-Q90 VanDerWaalsContact O-N 3.15Å |
| 87 | R | 73 | Confident | 67.5 | Low | 144 Ų | 144 | 115 Ų | 115 | 54% | 0.543 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.6 | -45.1 | 179 | -169.4 | 179.5 | -54 | -153.4 | 0.9 | 111.8 | E83 H84 A89 Q90 E91 | E83-R87 PolarHBondContact O-N 2.97Å; H84-R87 PolarHBondContact O-N 3.45Å; R87-A89 VanDerWaalsContact C-N 3.34Å; R87-A89 PolarHBondContact O-N 3.26Å; R87-Q90 PolarHBondContact O-N 3.19Å; R87-E91 PolarHBondContact O-N 3.39Å |
| 88 | K | 72.3 | Confident | 67 | Low | 128 Ų | 128 | 112.2 Ų | 112.2 | 56% | 0.557 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.2 | -41.9 | 177.4 | -176.2 | -178.3 | 174.8 | -171.6 | 0 | 112.2 | H84 E85 F86 Q90 E91 E92 | H84-K88 WeakPolarHBondContact O-CB 3.43Å; H84-K88 PolarHBondContact O-N 3.37Å; E85-K88 PolarHBondContact O-N 2.65Å; F86-K88 PolarHBondContact O-N 3.03Å; K88-Q90 VanDerWaalsContact C-N 3.34Å; K88-Q90 PolarHBondContact O-N 2.93Å; K88-E91 PolarHBondContact O-N 2.9Å; K88-E92 PolarHBondContact O-N 3.09Å |
| 89 | A | 71.3 | Confident | 66.7 | Low | 59 Ų | 59 | 113.7 Ų | 113.7 | 49% | 0.488 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.7 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E85 F86 R87 E92 E93 | E85-A89 PolarHBondContact O-N 3.04Å; E85-A89 VanDerWaalsContact O-N 3.08Å; F86-A89 PolarHBondContact O-N 3.4Å; R87-A89 VanDerWaalsContact C-N 3.34Å; R87-A89 PolarHBondContact O-N 3.26Å; A89-E92 PolarHBondContact O-N 3.43Å; A89-E93 PolarHBondContact O-N 3.43Å; A89-E93 VanDerWaalsContact O-N 3.12Å |
| 90 | Q | 73.8 | Confident | 66.3 | Low | 141 Ų | 141 | 113.7 Ų | 113.7 | 66% | 0.659 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.8 | -40.8 | 177.6 | -170.6 | 176.9 | -0.8 | 0 | 0 | 112.4 | F86 R87 K88 E93 S94 | F86-Q90 PolarHBondContact O-N 3.47Å; F86-Q90 VanDerWaalsContact O-N 3.15Å; R87-Q90 PolarHBondContact O-N 3.19Å; K88-Q90 VanDerWaalsContact C-N 3.34Å; K88-Q90 PolarHBondContact O-N 2.93Å; Q90-E93 PolarHBondContact O-N 3.49Å; Q90-S94 PolarHBondContact O-N 3.46Å; Q90-S94 PolarHBondContact O-OG 3.01Å |
| 91 | E | 71.5 | Confident | 65.9 | Low | 116 Ų | 116 | 116.8 Ų | 116.8 | 54% | 0.542 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -37.1 | 175.4 | -73.2 | 174.7 | -173.2 | 0 | 0 | 112.2 | R87 K88 E93 S94 S95 | R87-E91 PolarHBondContact O-N 3.39Å; K88-E91 PolarHBondContact O-N 2.9Å; E91-E93 VanDerWaalsContact C-N 3.35Å; E91-S94 WeakPolarHBondContact CA-OG 3.36Å; E91-S94 PolarHBondContact O-OG 2.9Å; E91-S94 VanDerWaalsContact O-OG 3.09Å; E91-S95 WeakPolarHBondContact O-CB 3.38Å; E91-S95 PolarHBondContact O-N 3.19Å; E91-S95 PolarHBondContact O-OG 3.46Å |
| 92 | E | 70.9 | Confident | 65 | Low | 104 Ų | 104 | 120.9 Ų | 120.9 | 49% | 0.486 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.3 | -34.4 | 175.1 | -151.8 | -167.5 | 129.2 | 0 | 0 | 112.1 | K88 A89 K96 | K88-E92 PolarHBondContact O-N 3.09Å; A89-E92 PolarHBondContact O-N 3.43Å; E92-K96 WeakPolarHBondContact O-CD 3.45Å; E92-K96 VanDerWaalsContact O-CG 3.3Å; E92-K96 WeakPolarHBondContact O-CG 3.41Å; E92-K96 PolarHBondContact O-N 3.43Å; E92-K96 WeakPolarHBondContact OE1-CE 3.38Å; E92-K96 IonicContact OE1-NZ 2.73Å; E92-K96 PolarHBondContact OE1-NZ 3.17Å |
| 93 | E | 69.9 | Low | 63.8 | Low | 97 Ų | 97 | 123.8 Ų | 123.8 | 45% | 0.453 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.9 | -46.7 | 175.1 | -153.2 | -150.2 | 152.5 | 0 | 0 | 112.3 | A89 Q90 E91 S95 K96 R97 | A89-E93 PolarHBondContact O-N 3.43Å; A89-E93 VanDerWaalsContact O-N 3.12Å; Q90-E93 PolarHBondContact O-N 3.49Å; E91-E93 VanDerWaalsContact C-N 3.35Å; E93-S95 VanDerWaalsContact C-N 3.3Å; E93-S95 PolarHBondContact O-N 3.23Å; E93-K96 PolarHBondContact O-N 3.27Å; E93-R97 PolarHBondContact O-N 3.39Å; E93-R97 IonicContact OE1-CZ 3.85Å; E93-R97 IonicContact OE1-NE 2.58Å; E93-R97 PolarHBondContact OE1-NE 2.94Å; E93-R97 IonicContact OE1-NH2 2.86Å; E93-R97 PolarHBondContact OE1-NH2 3.38Å |
| 94 | S | 65.1 | Low | 62.4 | Low | 67 Ų | 67 | 122.3 Ų | 122.3 | 47% | 0.469 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.1 | -35.6 | 179.2 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | Q90 E91 K96 R97 N98 | Q90-S94 PolarHBondContact O-N 3.46Å; Q90-S94 PolarHBondContact O-OG 3.01Å; E91-S94 WeakPolarHBondContact CA-OG 3.36Å; E91-S94 PolarHBondContact O-OG 2.9Å; E91-S94 VanDerWaalsContact O-OG 3.09Å; S94-K96 PolarHBondContact O-N 3.24Å; S94-R97 PolarHBondContact O-N 3.28Å; S94-N98 PolarHBondContact O-N 3.25Å; S94-N98 VanDerWaalsContact O-N 3.1Å |
| 95 | S | 70.4 | Confident | 60.7 | Low | 67 Ų | 67 | 123.6 Ų | 123.6 | 47% | 0.469 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.3 | -39.9 | 176.6 | -61 | 0 | 0 | 0 | 0 | 112.2 | E91 E93 N98 I99 | E91-S95 WeakPolarHBondContact O-CB 3.38Å; E91-S95 PolarHBondContact O-N 3.19Å; E91-S95 PolarHBondContact O-OG 3.46Å; E93-S95 VanDerWaalsContact C-N 3.3Å; E93-S95 PolarHBondContact O-N 3.23Å; S95-N98 PolarHBondContact O-N 3.07Å; S95-I99 PolarHBondContact O-N 2.86Å |
| 96 | K | 65.4 | Low | 58.9 | Low | 126 Ų | 126 | 121.1 Ų | 121.1 | 55% | 0.548 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.5 | -37.1 | 176.5 | -70.2 | 163.8 | -172 | 166.6 | 0 | 112.3 | E92 E93 S94 | E92-K96 WeakPolarHBondContact O-CD 3.45Å; E92-K96 VanDerWaalsContact O-CG 3.3Å; E92-K96 WeakPolarHBondContact O-CG 3.41Å; E92-K96 PolarHBondContact O-N 3.43Å; E92-K96 WeakPolarHBondContact OE1-CE 3.38Å; E92-K96 IonicContact OE1-NZ 2.73Å; E92-K96 PolarHBondContact OE1-NZ 3.17Å; E93-K96 PolarHBondContact O-N 3.27Å; S94-K96 PolarHBondContact O-N 3.24Å |
| 97 | R | 59.2 | Low | 56.8 | Low | 171 Ų | 171 | 118 Ų | 118 | 65% | 0.645 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.9 | -32.8 | 176.1 | -66.3 | 179.8 | -177 | -150.7 | 6.9 | 112.7 | E93 S94 | E93-R97 PolarHBondContact O-N 3.39Å; E93-R97 IonicContact OE1-CZ 3.85Å; E93-R97 IonicContact OE1-NE 2.58Å; E93-R97 PolarHBondContact OE1-NE 2.94Å; E93-R97 IonicContact OE1-NH2 2.86Å; E93-R97 PolarHBondContact OE1-NH2 3.38Å; S94-R97 PolarHBondContact O-N 3.28Å |
| 98 | N | 50.8 | Low | 55 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65.5 | -53 | 178.5 | -173.8 | -44.5 | 0 | 0 | 0 | 112.1 | S94 S95 S100 M101 | S94-N98 PolarHBondContact O-N 3.25Å; S94-N98 VanDerWaalsContact O-N 3.1Å; S95-N98 PolarHBondContact O-N 3.07Å; N98-S100 PolarHBondContact O-N 3.49Å; N98-S100 VanDerWaalsContact O-N 3.15Å; N98-M101 PolarHBondContact O-N 2.73Å |
| 99 | I | 53.5 | Low | 53.2 | Low | 136 Ų | 136 | 116.9 Ų | 116.9 | 70% | 0.697 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -58.8 | -33.2 | -174.4 | -67.5 | 170 | 0 | 0 | 0 | 112.7 | S95 M101 | S95-I99 PolarHBondContact O-N 2.86Å; I99-M101 VanDerWaalsContact C-N 3.27Å; I99-M101 PolarHBondContact O-N 3.3Å |
| 100 | S | 50.9 | Low | 51.5 | Low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -18.8 | -177 | -159.3 | 0 | 0 | 0 | 0 | 114.6 | N98 | N98-S100 PolarHBondContact O-N 3.49Å; N98-S100 VanDerWaalsContact O-N 3.15Å |
| 101 | M | 50.1 | Low | 49.4 | Very low | 159 Ų | 159 | 117.5 Ų | 117.5 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -12.7 | -171.8 | -80 | -60.4 | -53 | 0 | 0 | 115.1 | N98 I99 | N98-M101 PolarHBondContact O-N 2.73Å; I99-M101 VanDerWaalsContact C-N 3.27Å; I99-M101 PolarHBondContact O-N 3.3Å |
| 102 | H | 45.8 | Very low | 48.2 | Very low | 162 Ų | 162 | 118.5 Ų | 118.5 | 75% | 0.75 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -104.9 | 14.2 | -158.9 | -135.9 | -62 | 0 | 0 | 0 | 116.3 | ||
| 103 | N | 43 | Very low | 46.2 | Very low | 163 Ų | 163 | 116.8 Ų | 116.8 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | trans | -141 | 57.5 | -167.6 | -150.9 | 21.7 | 0 | 0 | 0 | 114.9 | ||||
| 104 | A | 40.6 | Very low | 44.4 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -157 | 56.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 105 | V | 34.7 | Very low | 43 | Very low | 158 Ų | 158 | 122.9 Ų | 122.9 | 96% | 0.958 | 75% | 0.752 | S | S | * | * | trans | -144.6 | 128.6 | 161.9 | -176 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 106 | G | 32.8 | Very low | 41.1 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | 102.2 | 102.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 107 | G | 29.1 | Very low | 39.5 | Very low | 82 Ų | 82 | 128.8 Ų | 128.8 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 155.9 | 94 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 108 | A | 34 | Very low | 38.2 | Very low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -82.6 | 172.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 109 | M | 34.9 | Very low | 37.1 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | cis | -161.2 | 176.6 | 23.2 | 36.3 | -96.4 | 171.3 | 0 | 0 | 111.5 | ||||
| 110 | T | 34.8 | Very low | 36 | Very low | 145 Ų | 145 | 124 Ų | 124 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | 85.2 | 144.3 | 170.8 | 74.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 111 | G | 29.4 | Very low | 34.9 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -130.8 | -145.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 112 | P | 46.1 | Very low | 34.1 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | cis | -138.9 | 173.9 | 11.2 | 42.7 | -25.5 | 0 | 0 | 0 | 117.2 | ||||
| 113 | G | 30.1 | Very low | 34.2 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | 103.2 | 150.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 114 | T | 31.9 | Very low | 33.6 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | cis | -163.3 | 152 | -11.2 | 41.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 115 | H | 34.8 | Very low | 33.3 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | 62.2 | 122 | 172 | -51.7 | -73 | 0 | 0 | 0 | 116.4 | ||||
| 116 | Q | 31.8 | Very low | 33 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | cis | 75.4 | 104.2 | 12 | -140 | -87.6 | 96.5 | 0 | 0 | 116.6 | S118 | Q116-S118 PolarHBondContact OE1-OG 3.11Š| ||
| 117 | L | 32.1 | Very low | 33.1 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -153.3 | 161.4 | 142.9 | -112.5 | 176.1 | 0 | 0 | 0 | 109.9 | ||||
| 118 | S | 31.4 | Very low | 33.2 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -151.7 | 166.1 | -161.8 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | Q116 | Q116-S118 PolarHBondContact OE1-OG 3.11Š| ||
| 119 | S | 27.7 | Very low | 33.2 | Very low | 128 Ų | 128 | 133 Ų | 133 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -158.9 | 142.3 | 166 | -84.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 120 | A | 29.4 | Very low | 33.1 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -151.2 | 155.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 121 | R | 27.4 | Very low | 32.9 | Very low | 243 Ų | 243 | 131.3 Ų | 131.3 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | -158 | 134.2 | 153.9 | -143.2 | 163.2 | -79.4 | -123.3 | 0.3 | 112.8 | ||||
| 122 | L | 33.8 | Very low | 32.9 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -92.6 | 171.1 | 164.9 | -66.6 | 168.3 | 0 | 0 | 0 | 107.8 | ||||
| 123 | P | 47.8 | Very low | 32.1 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | -151.1 | -166.2 | 58.2 | 47.6 | -25.5 | 0 | 0 | 0 | 113.4 | |||||
| 124 | N | 31 | Very low | 32.1 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 65% | 0.652 | 78% | 0.779 | S | S | * | * | cis | -153.4 | 158.6 | -0.2 | -151.7 | 9.5 | 0 | 0 | 0 | 111.7 | ||||
| 125 | H | 33.8 | Very low | 32.2 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 67% | 0.667 | 78% | 0.783 | S | S | * | * | trans | 27.2 | 146.3 | 153.6 | 71.9 | 8.8 | 0 | 0 | 0 | 121 | ||||
| 126 | D | 28.7 | Very low | 32.4 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | -147.1 | -168.2 | 52.6 | -142.1 | -39.1 | 0 | 0 | 0 | 114.9 | |||||
| 127 | T | 35.6 | Very low | 32.6 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -121.9 | 138.4 | -141.9 | -39.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 128 | S | 30.1 | Very low | 33.6 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | 171.6 | 169.4 | 119.8 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 129 | V | 33.7 | Very low | 33.5 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -121.3 | 155.7 | -159.9 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 130 | V | 33.1 | Very low | 33.6 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 160.9 | 127.3 | 132.5 | 157 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 131 | I | 31.4 | Very low | 33.8 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | 65.1 | 98.5 | 155.4 | -69.5 | 167.1 | 0 | 0 | 0 | 121 | ||||
| 132 | Q | 30 | Very low | 34 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | 36.6 | 121.4 | 110.7 | -169.7 | 147 | 59.4 | 0 | 0 | 122.7 | |||||
| 133 | Q | 29.2 | Very low | 34 | Very low | 199 Ų | 199 | 133.2 Ų | 133.2 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | -153.4 | -172.6 | 129.6 | -154.5 | 134 | 19.6 | 0 | 0 | 111.1 | |||||
| 134 | A | 28.9 | Very low | 33.5 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -121.6 | 171.5 | -157.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 135 | M | 34 | Very low | 33.7 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -51.4 | 157.5 | 170.5 | -68.8 | -66.7 | -78.2 | 0 | 0 | 113.3 | ||||
| 136 | P | 40.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | cis | -144.3 | -165.2 | 42.5 | 42.8 | -21.9 | 0 | 0 | 0 | 117.7 | ||||
| 137 | S | 34.7 | Very low | 33.7 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -136.2 | 172.9 | -176.7 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 138 | P | 52.9 | Low | 33.7 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | cis | -123.3 | -176.1 | -12 | 32 | -12.6 | 0 | 0 | 0 | 112.8 | ||||
| 139 | Q | 30.7 | Very low | 33.8 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | 163.1 | 144.9 | 127.5 | -90.2 | 178.5 | 2.3 | 0 | 0 | 112.4 | |||||
| 140 | S | 29.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -133.5 | 122.8 | 170.3 | -55 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 141 | S | 33.6 | Very low | 34 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -124.1 | 130.2 | -178.2 | 48.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 142 | S | 31.6 | Very low | 34 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -73.8 | 135.6 | 178 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 143 | V | 34.4 | Very low | 34.1 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -92.5 | 119.4 | 175 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 144 | I | 36.7 | Very low | 34.2 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -105.1 | 119 | 168.8 | -62.7 | 173.9 | 0 | 0 | 0 | 107.6 | ||||
| 145 | T | 34.3 | Very low | 34.5 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 125.9 | -179.4 | -48.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 146 | Q | 32.9 | Very low | 35.1 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 148.2 | 177.8 | -60.1 | 178.6 | 19.1 | 0 | 0 | 111.6 | ||
| 147 | A | 31.7 | Very low | 35.2 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -96 | 143.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 148 | P | 34.4 | Very low | 35.7 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74 | 134.5 | -177.6 | 29.3 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 149 | S | 31.3 | Very low | 34.6 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 145.9 | 178.3 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 150 | T | 37 | Very low | 34.8 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -107 | 150.4 | 160.2 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 151 | N | 34.3 | Very low | 35 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -85.2 | 129.4 | -162 | 178.8 | 3.9 | 0 | 0 | 0 | 113.3 | ||||
| 152 | R | 33.2 | Very low | 35.1 | Very low | 243 Ų | 243 | 134.1 Ų | 134.1 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -139.8 | 142.5 | 153.5 | -85.1 | -165.5 | 168.9 | -125.5 | -3.5 | 111.2 | ||||
| 153 | Q | 30.9 | Very low | 35.1 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -99.9 | 134.6 | -172.2 | -67.9 | 168.7 | -63.1 | 0 | 0 | 113.1 | ||||
| 154 | I | 31.8 | Very low | 35 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | 52.6 | 118.7 | 134.9 | -52.1 | 169 | 0 | 0 | 0 | 118.8 | ||||
| 155 | G | 33.8 | Very low | 35.3 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | -178.5 | 123.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 156 | P | 48.5 | Very low | 35.4 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | trans | -88.8 | 156.1 | -174.4 | 34.2 | -35 | 0 | 0 | 0 | 114.6 | ||||
| 157 | V | 41.4 | Very low | 35.6 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -101.3 | 143.5 | -179.4 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 158 | P | 45.1 | Very low | 35.7 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | -149.5 | 129.4 | 125.1 | 33.5 | -15.1 | 0 | 0 | 0 | 116.5 | |||||
| 159 | G | 30.6 | Very low | 35.7 | Very low | 72 Ų | 72 | 140.6 Ų | 140.6 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | 78.7 | 169.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 160 | S | 33.3 | Very low | 35.6 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | cis | -166.4 | 167 | -16.8 | -159.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 161 | L | 33.4 | Very low | 35.3 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 72.6 | 145.7 | 163.2 | -55 | -175.5 | 0 | 0 | 0 | 120.9 | ||||
| 162 | S | 35.8 | Very low | 35.3 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -97.6 | 140.7 | 177.5 | -37.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 163 | S | 31.9 | Very low | 35.2 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | 169.4 | 162.5 | 155.1 | -85.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 164 | L | 32.7 | Very low | 36.1 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | cis | -168.5 | 159.8 | -28.8 | -172.7 | 138.8 | 0 | 0 | 0 | 104.7 | ||||
| 165 | L | 43 | Very low | 36 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -47.4 | 139.4 | 179.1 | -67.5 | 163.9 | 0 | 0 | 0 | 113.8 | ||||
| 166 | H | 36.4 | Very low | 36.6 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -154.9 | 126.5 | 143.4 | -104.2 | 86.3 | 0 | 0 | 0 | 111.1 | ||||
| 167 | L | 36.6 | Very low | 35.8 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -96.6 | 135.8 | 175.5 | -171.1 | 80.9 | 0 | 0 | 0 | 109.2 | ||||
| 168 | H | 34.1 | Very low | 35.4 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -133.4 | 98 | 170 | -168.7 | -77 | 0 | 0 | 0 | 113.2 | ||||
| 169 | N | 33.9 | Very low | 35 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -60.3 | 139.9 | 168.8 | 179.9 | -5.2 | 0 | 0 | 0 | 111.2 | ||||
| 170 | R | 29.7 | Very low | 35.6 | Very low | 228 Ų | 228 | 149.7 Ų | 149.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -141.9 | 139.8 | 170.5 | -140.4 | 174.6 | -171.7 | -163.5 | 2.1 | 113.1 | ||||
| 171 | Q | 31.1 | Very low | 35.5 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -128.3 | 124.3 | -158.3 | 178.5 | -173.9 | 7.2 | 0 | 0 | 112.7 | ||||
| 172 | R | 34 | Very low | 35.6 | Very low | 238 Ų | 238 | 147 Ų | 147 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -149.9 | 124.7 | 151.9 | -69.8 | -161.6 | -168.4 | -83.5 | 8.1 | 106.2 | ||||
| 173 | Q | 31.6 | Very low | 35.4 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | 73.5 | 129.4 | 64.5 | -67.4 | -71 | 10.1 | 0 | 0 | 113.4 | |||||
| 174 | P | 48.7 | Very low | 36.3 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | trans | -125 | -164.5 | -158.7 | 39 | -19.4 | 0 | 0 | 0 | 115.3 | ||||
| 175 | M | 30.1 | Very low | 36.3 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | trans | 81.6 | 159.1 | 171.3 | -49.8 | -52.2 | -74.5 | 0 | 0 | 116.1 | ||||
| 176 | P | 45.9 | Very low | 36.6 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -120.1 | -173.6 | 1.3 | 41.7 | -28 | 0 | 0 | 0 | 114.8 | ||||
| 177 | A | 31.7 | Very low | 36.4 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -109.1 | 164 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 178 | S | 33.1 | Very low | 36.3 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -145.6 | 147.8 | 167.9 | -72 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 179 | M | 37.4 | Very low | 36.8 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -129.8 | 179.7 | 177.9 | -69.7 | -83.1 | -75.7 | 0 | 0 | 107.9 | ||||
| 180 | P | 44 | Very low | 36.7 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | cis | -122.1 | -173.6 | -21.1 | 26.2 | -4.2 | 0 | 0 | 0 | 112 | ||||
| 181 | G | 31.3 | Very low | 36.8 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -153.2 | 144.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 182 | T | 34.1 | Very low | 36.9 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -109.6 | 144.8 | -170.1 | 50.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 183 | L | 32.2 | Very low | 36.7 | Very low | 156 Ų | 156 | 124.9 Ų | 124.9 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | 7.4 | 139.8 | 146.8 | -73.1 | 175.4 | 0 | 0 | 0 | 118.8 | ||||
| 184 | P | 50 | Low | 36.8 | Very low | 127 Ų | 127 | 123.8 Ų | 123.8 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | -141.2 | 176.1 | 63.4 | 39.1 | -21.7 | 0 | 0 | 0 | 118.2 | |||||
| 185 | N | 34.1 | Very low | 36.1 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 67% | 0.674 | 80% | 0.799 | S | S | * | * | trans | -98.6 | 142.9 | -175.7 | 168.6 | 45.3 | 0 | 0 | 0 | 112.7 | ||||
| 186 | P | 47.9 | Very low | 36.2 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -111.4 | 121.4 | 157 | 34.6 | -23.9 | 0 | 0 | 0 | 113.2 | ||||
| 187 | T | 32.7 | Very low | 36.4 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -65 | 142 | 176.7 | -54.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 188 | M | 35.9 | Very low | 36.5 | Very low | 175 Ų | 175 | 129.3 Ų | 129.3 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | trans | -138.8 | 144 | 148.9 | -84.2 | -60.5 | -77.5 | 0 | 0 | 110.8 | ||||
| 189 | P | 43.4 | Very low | 36.5 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -86 | 151.5 | -173.6 | 34.4 | -35.7 | 0 | 0 | 0 | 113.3 | ||||
| 190 | G | 31.5 | Very low | 36.6 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -102.8 | 144.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 191 | S | 31.6 | Very low | 36 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -116.9 | 110.5 | 171.3 | -67.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 192 | S | 33.5 | Very low | 36 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -94.5 | 140.7 | 172.5 | -166.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 193 | A | 31.2 | Very low | 35.9 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -76.1 | 137.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 194 | V | 32.6 | Very low | 36.1 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -121.9 | 148.6 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 195 | L | 34 | Very low | 35.2 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 155.3 | -170.6 | -59.1 | 154.4 | 0 | 0 | 0 | 113.1 | ||||
| 196 | M | 31.9 | Very low | 35.1 | Very low | 168 Ų | 168 | 140 Ų | 140 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | 162.9 | 165.3 | 113.6 | -83.1 | -49.4 | 177.5 | 0 | 0 | 112.9 | |||||
| 197 | P | 50.4 | Low | 34.6 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | -120 | 171.5 | -156.2 | 43.8 | -34.3 | 0 | 0 | 0 | 115.9 | ||||
| 198 | M | 34.5 | Very low | 34.8 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | -168.9 | 161.5 | 160.2 | -98 | 151.2 | -170.9 | 0 | 0 | 106.5 | ||||
| 199 | E | 32.9 | Very low | 35.1 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | cis | -173.4 | -164.3 | -30.1 | -120.6 | -176.4 | -134.4 | 0 | 0 | 105.3 | ||||
| 200 | R | 38.5 | Very low | 34.7 | Very low | 232 Ų | 232 | 141.4 Ų | 141.4 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | trans | -117.2 | 132.1 | -163.8 | 167.9 | -160.9 | 176.9 | 97.3 | -3.5 | 112.6 | ||||
| 201 | Q | 32.6 | Very low | 34.9 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | -158.7 | 176.4 | 150.5 | -112.4 | 177.7 | 15 | 0 | 0 | 114.5 | ||||
| 202 | M | 30.2 | Very low | 34.9 | Very low | 154 Ų | 154 | 147 Ų | 147 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | -100 | 165.1 | -162.8 | 59.1 | -90.5 | 153.1 | 0 | 0 | 115.3 | ||||
| 203 | S | 32.9 | Very low | 34.7 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -146.1 | 163.7 | 149.9 | -165.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 204 | V | 36.1 | Very low | 35.6 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | trans | -114.7 | 145.7 | -167.9 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 205 | N | 31.7 | Very low | 35.6 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 125.8 | 167.5 | -83.8 | -12.8 | 0 | 0 | 0 | 109.9 | ||
| 206 | S | 31.8 | Very low | 35.6 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 131.8 | 177.3 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 207 | S | 36.7 | Very low | 35.6 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 142.1 | 168.5 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 208 | I | 37.9 | Very low | 34.7 | Very low | 168 Ų | 168 | 146 Ų | 146 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | trans | -145.5 | 147.9 | 165.7 | -165.9 | 60.5 | 0 | 0 | 0 | 110.4 | ||||
| 209 | M | 40.7 | Very low | 35.5 | Very low | 186 Ų | 186 | 143 Ų | 143 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -111.4 | 155 | 179 | -66.2 | 179.5 | -80.1 | 0 | 0 | 110.3 | ||||
| 210 | G | 34.9 | Very low | 35.2 | Very low | 68 Ų | 68 | 139.9 Ų | 139.9 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | 163.1 | 100.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 211 | M | 35.7 | Very low | 34.7 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | trans | 61 | 121 | 135.1 | -46.2 | -52.7 | -95 | 0 | 0 | 123.2 | ||||
| 212 | Q | 31.8 | Very low | 34.6 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 42.2 | 125.9 | 126.6 | -55.8 | 169.2 | 0.2 | 0 | 0 | 118.5 | |||||
| 213 | G | 29.6 | Very low | 35.4 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | cis | 137.3 | -179.5 | 39.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 214 | P | 50.6 | Low | 35.3 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | cis | -133.3 | 165.6 | -0.7 | 43 | -26.5 | 0 | 0 | 0 | 117 | ||||
| 215 | N | 33.1 | Very low | 35.3 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | 34.5 | 128.3 | 143.5 | -137.9 | -76.2 | 0 | 0 | 0 | 123.4 | ||||
| 216 | L | 33.7 | Very low | 35.5 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | -170.8 | 130.3 | 114.6 | -100.8 | 172.4 | 0 | 0 | 0 | 115 | |||||
| 217 | S | 31.5 | Very low | 36 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | 38.7 | 127.9 | 155.7 | 53.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 218 | N | 31.8 | Very low | 36.5 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -87.4 | -174.4 | 166.6 | -137.3 | 12.6 | 0 | 0 | 0 | 110.3 | ||||
| 219 | P | 50.3 | Low | 36.9 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | cis | -144.6 | 175.2 | 9.6 | 44.8 | -25 | 0 | 0 | 0 | 119.9 | ||||
| 220 | C | 26.6 | Very low | 37.6 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | 75.7 | 100 | 143.8 | -157.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 221 | A | 29.4 | Very low | 39 | Very low | 100 Ų | 100 | 129 Ų | 129 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | -165.9 | 160.8 | 125.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 222 | S | 30.8 | Very low | 40.3 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -157.5 | 167 | 179.8 | -122.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 223 | P | 45.5 | Very low | 41.9 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | cis | -125.6 | 167.1 | 3.3 | 40.5 | -26.3 | 0 | 0 | 0 | 115.3 | ||||
| 224 | Q | 31.2 | Very low | 43.5 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -117.9 | 143.3 | 169.2 | -166.9 | 172.1 | 1.3 | 0 | 0 | 110.6 | ||||
| 225 | V | 36.3 | Very low | 44.2 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | -74.1 | 137.8 | -166.9 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 226 | Q | 35.1 | Very low | 45.5 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | trans | -94.3 | 148.9 | 175.6 | -76.7 | -73.2 | -8.9 | 0 | 0 | 112.7 | M228 | Q226-M228 PolarHBondContact O-N 2.92Š| ||
| 227 | P | 43.1 | Very low | 46.7 | Very low | 101 Ų | 101 | 130 Ų | 130 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | trans | -73.8 | 112.4 | -177.2 | -16.5 | 31.9 | 0 | 0 | 0 | 113.8 | H229 | P227-H229 PolarHBondContact O-N 3.48Š| ||
| 228 | M | 46.5 | Very low | 47.8 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 6.5 | -175.8 | -80.1 | -104.2 | 64.1 | 0 | 0 | 117.2 | Q226 E231 | Q226-M228 PolarHBondContact O-N 2.92Å; M228-E231 HydrophobicContact CE-CB 4.35Å; M228-E231 WeakPolarHBondContact CE-OE2 3.48Å |
| 229 | H | 46 | Very low | 48.9 | Very low | 169 Ų | 169 | 123.1 Ų | 123.1 | 78% | 0.782 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -13.7 | -162.4 | -142.4 | -46.6 | 0 | 0 | 0 | 115.8 | P227 | P227-H229 PolarHBondContact O-N 3.48Š|
| 230 | S | 57 | Low | 48.9 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -46.1 | 179.8 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | K233 | S230-K233 PolarHBondContact O-N 3.31Š|
| 231 | E | 63.2 | Low | 50.2 | Low | 81 Ų | 81 | 123 Ų | 123 | 38% | 0.379 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -65.4 | -43.2 | -171.3 | -161.6 | -157 | 129.8 | 0 | 0 | 112.7 | M228 K233 M234 R235 | M228-E231 HydrophobicContact CE-CB 4.35Å; M228-E231 WeakPolarHBondContact CE-OE2 3.48Å; E231-K233 PolarHBondContact O-N 2.82Å; E231-M234 WeakPolarHBondContact O-CB 3.4Å; E231-M234 PolarHBondContact O-N 2.92Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 WeakPolarHBondContact OE1-CD 3.43Å; E231-R235 IonicContact OE1-CZ 3.18Å; E231-R235 IonicContact OE1-NE 2.62Å; E231-R235 IonicContact OE1-NH1 2.64Å; E231-R235 PolarHBondContact OE1-NH1 3.22Å |
| 232 | A | 62.9 | Low | 51 | Low | 61 Ų | 61 | 125.9 Ų | 125.9 | 50% | 0.504 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -55.7 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | R235 L236 | A232-R235 PolarHBondContact O-N 2.94Å; A232-L236 WeakPolarHBondContact O-CB 3.36Å; A232-L236 PolarHBondContact O-N 3.48Å |
| 233 | K | 64.9 | Low | 51.5 | Low | 165 Ų | 165 | 127.9 Ų | 127.9 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.5 | -28.1 | 178.5 | -165.7 | 168.4 | 66.4 | -179.5 | 0 | 112.8 | S230 E231 K237 | S230-K233 PolarHBondContact O-N 3.31Å; E231-K233 PolarHBondContact O-N 2.82Å; K233-K237 PolarHBondContact O-N 3.38Å |
| 234 | M | 64.4 | Low | 51.3 | Low | 147 Ų | 147 | 128 Ų | 128 | 72% | 0.724 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -74.8 | -45.6 | 171.5 | -66.6 | -123 | -67.5 | 0 | 0 | 111.3 | E231 L236 K237 A238 | E231-M234 WeakPolarHBondContact O-CB 3.4Å; E231-M234 PolarHBondContact O-N 2.92Å; M234-L236 VanDerWaalsContact C-N 3.32Å; M234-L236 PolarHBondContact O-N 2.76Å; M234-K237 PolarHBondContact O-N 3.14Å; M234-K237 VanDerWaalsContact O-N 3.11Å; M234-A238 PolarHBondContact O-N 3.3Å |
| 235 | R | 65.9 | Low | 51.5 | Low | 176 Ų | 176 | 123.7 Ų | 123.7 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -59.2 | -42 | 177.2 | -69.4 | 179.6 | 119.4 | 157.7 | -8.9 | 111.8 | E231 A232 K237 A238 A239 | E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 WeakPolarHBondContact OE1-CD 3.43Å; E231-R235 IonicContact OE1-CZ 3.18Å; E231-R235 IonicContact OE1-NE 2.62Å; E231-R235 IonicContact OE1-NH1 2.64Å; E231-R235 PolarHBondContact OE1-NH1 3.22Å; A232-R235 PolarHBondContact O-N 2.94Å; R235-K237 VanDerWaalsContact C-N 3.35Å; R235-K237 PolarHBondContact O-N 3.27Å; R235-A238 PolarHBondContact O-N 2.88Å; R235-A239 PolarHBondContact O-N 3.49Å; R235-A239 VanDerWaalsContact O-N 3.16Å |
| 236 | L | 58.9 | Low | 51.6 | Low | 124 Ų | 124 | 121.6 Ų | 121.6 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62.9 | -39 | 175.1 | -153.9 | 82.1 | 0 | 0 | 0 | 112.5 | A232 M234 A239 L240 | A232-L236 WeakPolarHBondContact O-CB 3.36Å; A232-L236 PolarHBondContact O-N 3.48Å; M234-L236 VanDerWaalsContact C-N 3.32Å; M234-L236 PolarHBondContact O-N 2.76Å; L236-A239 PolarHBondContact O-N 3.2Å; L236-L240 VanDerWaalsContact O-CD1 3.25Å; L236-L240 WeakPolarHBondContact O-CD1 3.38Å; L236-L240 PolarHBondContact O-N 3.32Å |
| 237 | K | 58.7 | Low | 51.6 | Low | 163 Ų | 163 | 123.2 Ų | 123.2 | 71% | 0.709 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.8 | -35.2 | -179.9 | -168.7 | 168.1 | -177.4 | 178.2 | 0 | 112.7 | K233 M234 R235 T241 | K233-K237 PolarHBondContact O-N 3.38Å; M234-K237 PolarHBondContact O-N 3.14Å; M234-K237 VanDerWaalsContact O-N 3.11Å; R235-K237 VanDerWaalsContact C-N 3.35Å; R235-K237 PolarHBondContact O-N 3.27Å; K237-T241 PolarHBondContact O-OG1 3.42Å |
| 238 | A | 55 | Low | 51.3 | Low | 53 Ų | 53 | 123.8 Ų | 123.8 | 44% | 0.438 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -67.5 | -34.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M234 R235 T241 H242 | M234-A238 PolarHBondContact O-N 3.3Å; R235-A238 PolarHBondContact O-N 2.88Å; A238-T241 PolarHBondContact O-N 2.99Å; A238-T241 PolarHBondContact O-OG1 2.92Å; A238-H242 PolarHBondContact O-CD2 3.46Å |
| 239 | A | 55.4 | Low | 51.1 | Low | 63 Ų | 63 | 125.2 Ų | 125.2 | 52% | 0.521 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -64.3 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R235 L236 T241 | R235-A239 PolarHBondContact O-N 3.49Å; R235-A239 VanDerWaalsContact O-N 3.16Å; L236-A239 PolarHBondContact O-N 3.2Å; A239-T241 VanDerWaalsContact C-N 3.31Å; A239-T241 PolarHBondContact O-N 3.26Å |
| 240 | L | 49.3 | Very low | 50.8 | Low | 130 Ų | 130 | 120.1 Ų | 120.1 | 68% | 0.681 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -72.8 | -17.9 | 179.6 | -88.7 | 83.5 | 0 | 0 | 0 | 114.2 | L236 | L236-L240 VanDerWaalsContact O-CD1 3.25Å; L236-L240 WeakPolarHBondContact O-CD1 3.38Å; L236-L240 PolarHBondContact O-N 3.32Å |
| 241 | T | 54.5 | Low | 50 | Low | 101 Ų | 101 | 122.6 Ų | 122.6 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -2.5 | -176 | 40.2 | 0 | 0 | 0 | 0 | 115.4 | K237 A238 A239 | K237-T241 PolarHBondContact O-OG1 3.42Å; A238-T241 PolarHBondContact O-N 2.99Å; A238-T241 PolarHBondContact O-OG1 2.92Å; A239-T241 VanDerWaalsContact C-N 3.31Å; A239-T241 PolarHBondContact O-N 3.26Å |
| 242 | H | 45.3 | Very low | 49.3 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 4.6 | -174.6 | -81.4 | -69.7 | 0 | 0 | 0 | 116.1 | A238 | A238-H242 PolarHBondContact O-CD2 3.46Š|
| 243 | H | 41.5 | Very low | 48.9 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -86.7 | 123.5 | 170.1 | -76 | -84.1 | 0 | 0 | 0 | 111 | ||
| 244 | P | 41.4 | Very low | 48.3 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 152.4 | 177.5 | 29.1 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 245 | A | 36.8 | Very low | 48 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 153.8 | -168 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 246 | A | 36.9 | Very low | 47.4 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | trans | 63.6 | 112.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 247 | M | 35.5 | Very low | 46.9 | Very low | 195 Ų | 195 | 122.6 Ų | 122.6 | 96% | 0.961 | 72% | 0.716 | S | S | * | * | trans | -129.2 | 165.2 | 136.9 | -73.8 | -151 | 80.3 | 0 | 0 | 110.2 | ||||
| 248 | S | 37.8 | Very low | 46.5 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | -77.2 | 139.8 | -157.8 | -171.8 | 0 | 0 | 0 | 0 | 116 | G250 | S248-G250 PolarHBondContact O-N 3.2Š| ||
| 249 | N | 41.9 | Very low | 46.6 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | trans | -0.1 | 109.2 | 145.8 | -176.7 | 32.7 | 0 | 0 | 0 | 117.4 | ||||
| 250 | G | 38.8 | Very low | 46.4 | Very low | 63 Ų | 63 | 130.1 Ų | 130.1 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | trans | 169.7 | 127.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | S248 | S248-G250 PolarHBondContact O-N 3.2Š| ||
| 251 | N | 40.1 | Very low | 46.5 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 60.8 | 127.2 | 156.1 | -157.6 | 21.6 | 0 | 0 | 0 | 120.1 | N253 | N251-N253 PolarHBondContact ND2-ND2 3.4Š| ||
| 252 | M | 49.4 | Very low | 46.4 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | trans | -99.4 | 88.1 | 179.8 | -69.7 | -176.5 | 69.3 | 0 | 0 | 112.7 | ||||
| 253 | N | 54 | Low | 46.7 | Very low | 126 Ų | 126 | 131 Ų | 131 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | trans | -124.5 | 43.8 | -179.6 | -90.5 | -12.2 | 0 | 0 | 0 | 114.3 | N251 M255 | N251-N253 PolarHBondContact ND2-ND2 3.4Å; N253-M255 PolarHBondContact O-N 2.97Å | ||
| 254 | T | 53.2 | Low | 46.9 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -8.1 | -174.8 | -28.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 255 | M | 57.8 | Low | 46.8 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -17.2 | -176.8 | -174.3 | 156.4 | -83 | 0 | 0 | 114.4 | N253 M258 | N253-M255 PolarHBondContact O-N 2.97Å; M255-M258 VanDerWaalsContact O-CG 3.22Å; M255-M258 WeakPolarHBondContact O-CG 3.39Å |
| 256 | G | 53.3 | Low | 46.6 | Very low | 51 Ų | 51 | 139.3 Ų | 139.3 | 53% | 0.526 | 77% | 0.767 | S | S | . | * | S | Bend | trans | -73.2 | -45.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M258 M259 | G256-M258 VanDerWaalsContact C-N 3.27Å; G256-M258 PolarHBondContact O-N 2.92Å; G256-M259 WeakPolarHBondContact O-CB 3.38Å; G256-M259 PolarHBondContact O-N 3.04Å |
| 257 | H | 49 | Very low | 46.5 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 58% | 0.579 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -64.3 | -27.5 | -168.7 | -165.2 | 47.9 | 0 | 0 | 0 | 114.1 | M259 E260 | H257-M259 PolarHBondContact O-N 3.38Å; H257-E260 IonicContact ND1-OE2 3.63Å; H257-E260 PolarHBondContact ND1-OE2 3.23Å; H257-E260 PolarHBondContact O-N 3.35Å |
| 258 | M | 50.2 | Low | 46.4 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -69.6 | -17.1 | 174.3 | 57.1 | 172.9 | -81.2 | 0 | 0 | 114.1 | M255 G256 | M255-M258 VanDerWaalsContact O-CG 3.22Å; M255-M258 WeakPolarHBondContact O-CG 3.39Å; G256-M258 VanDerWaalsContact C-N 3.27Å; G256-M258 PolarHBondContact O-N 2.92Å |
| 259 | M | 56.7 | Low | 46.1 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -92.3 | -15 | -179.4 | -136.9 | 165.4 | -170.5 | 0 | 0 | 112.8 | G256 H257 | G256-M259 WeakPolarHBondContact O-CB 3.38Å; G256-M259 PolarHBondContact O-N 3.04Å; H257-M259 PolarHBondContact O-N 3.38Å |
| 260 | E | 52 | Low | 46.1 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -85.5 | -36.8 | -173.1 | -167.2 | 170.7 | -158.5 | 0 | 0 | 112.6 | H257 M262 G263 | H257-E260 IonicContact ND1-OE2 3.63Å; H257-E260 PolarHBondContact ND1-OE2 3.23Å; H257-E260 PolarHBondContact O-N 3.35Å; E260-M262 PolarHBondContact O-N 3.46Å; E260-M262 VanDerWaalsContact O-N 3.09Å; E260-G263 PolarHBondContact O-N 2.82Å |
| 261 | M | 50.9 | Low | 46 | Very low | 162 Ų | 162 | 145 Ų | 145 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -5.1 | -177.7 | -64.9 | -149.1 | -65.5 | 0 | 0 | 115.3 | ||
| 262 | M | 51.5 | Low | 45.6 | Very low | 179 Ų | 179 | 148 Ų | 148 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -7.5 | 172.6 | -72.3 | -82.9 | -79 | 0 | 0 | 112.9 | E260 | E260-M262 PolarHBondContact O-N 3.46Å; E260-M262 VanDerWaalsContact O-N 3.09Å |
| 263 | G | 52.4 | Low | 44.9 | Very low | 69 Ų | 69 | 147.1 Ų | 147.1 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -96.2 | -5.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117 | E260 | E260-G263 PolarHBondContact O-N 2.82Š|
| 264 | S | 45.5 | Very low | 44.1 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -143.6 | 86.9 | -171.7 | -167.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 265 | R | 38.9 | Very low | 43.3 | Very low | 252 Ų | 252 | 149 Ų | 149 | 95% | 0.951 | 76% | 0.763 | S | S | * | * | trans | -144.5 | 138.2 | 153.2 | -86.6 | -159.5 | 158.6 | -112.3 | -9.3 | 111.8 | ||||
| 266 | Q | 33.5 | Very low | 41.9 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | trans | 92 | 74.8 | 157.3 | -158.8 | 163.1 | -7.2 | 0 | 0 | 118.6 | ||||
| 267 | D | 33.2 | Very low | 41.1 | Very low | 142 Ų | 142 | 153.1 Ų | 153.1 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | -135.4 | 139.2 | 127.2 | -155.9 | -43.3 | 0 | 0 | 0 | 109.4 | |||||
| 268 | Q | 33.9 | Very low | 41.6 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -169.4 | 95.9 | 170.7 | -95 | -163.7 | 110.5 | 0 | 0 | 109.3 | ||||
| 269 | T | 31.2 | Very low | 41 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | -142.6 | 150.5 | 151 | 49.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 270 | P | 42.3 | Very low | 40 | Very low | 112 Ų | 112 | 152.2 Ų | 152.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -108.6 | 149.1 | -161.6 | 8.2 | 15.2 | 0 | 0 | 0 | 115.3 | ||||
| 271 | H | 36.1 | Very low | 39.3 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | 32 | 123.6 | 149.4 | -60.4 | -75.1 | 0 | 0 | 0 | 121.4 | ||||
| 272 | H | 32.8 | Very low | 38.6 | Very low | 202 Ų | 202 | 151.9 Ų | 151.9 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | -148.3 | 161.8 | 125.7 | -94.7 | -65.9 | 0 | 0 | 0 | 110.6 | |||||
| 273 | H | 35.3 | Very low | 37.8 | Very low | 157 Ų | 157 | 149 Ų | 149 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -158 | 125.9 | -162.2 | 177.9 | 75.4 | 0 | 0 | 0 | 111.1 | ||||
| 274 | M | 36.4 | Very low | 37 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 61% | 0.611 | 77% | 0.772 | S | S | * | * | trans | 161.6 | 144.2 | 132 | -85.3 | -84.3 | 66 | 0 | 0 | 116.3 | ||||
| 275 | H | 36.8 | Very low | 37.1 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 59.9 | 137.3 | 154.9 | -79.9 | 78.3 | 0 | 0 | 0 | 119.5 | ||||
| 276 | S | 28.1 | Very low | 37.8 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | cis | -150.6 | -154.4 | 30.4 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 277 | H | 37.4 | Very low | 37.7 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -134.3 | 176.7 | -161.2 | -107.5 | 40 | 0 | 0 | 0 | 111.5 | ||||
| 278 | P | 59.1 | Low | 38 | Very low | 88 Ų | 88 | 148.5 Ų | 148.5 | 57% | 0.571 | 76% | 0.762 | S | S | * | * | cis | -141.3 | -155.4 | -28.1 | 41.1 | -20.8 | 0 | 0 | 0 | 114 | ||||
| 279 | H | 37.6 | Very low | 38.5 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 108.9 | 141.1 | 165.7 | -57.7 | -51.4 | 0 | 0 | 0 | 116.2 | ||||
| 280 | Q | 34.9 | Very low | 38.6 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | cis | -158.6 | 173.8 | -13.8 | -107.5 | -60.3 | 5.5 | 0 | 0 | 111.6 | ||||
| 281 | H | 37.5 | Very low | 39.1 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | trans | -65.4 | 168.4 | 174.6 | -74.2 | 167.2 | 0 | 0 | 0 | 116.3 | ||||
| 282 | Q | 36.3 | Very low | 39.1 | Very low | 142 Ų | 142 | 148.7 Ų | 148.7 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | cis | -161.5 | -162.5 | -13.2 | -101.8 | 176.4 | 34.7 | 0 | 0 | 107 | ||||
| 283 | T | 35.7 | Very low | 39.2 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | cis | -157.4 | -154.8 | 15.9 | -27.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 284 | L | 33.8 | Very low | 39.2 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -142.8 | 179.5 | -174.3 | -110.3 | 81.1 | 0 | 0 | 0 | 109.6 | ||||
| 285 | P | 47.7 | Very low | 39 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | cis | -139.9 | -130.4 | -30.8 | 45.2 | -22.8 | 0 | 0 | 0 | 114 | ||||
| 286 | P | 54 | Low | 39.1 | Very low | 104 Ų | 104 | 148 Ų | 148 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | trans | -133.8 | 175.5 | -141.8 | 41.4 | -17.7 | 0 | 0 | 0 | 119.4 | ||||
| 287 | H | 32.3 | Very low | 40.1 | Very low | 198 Ų | 198 | 149.1 Ų | 149.1 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | -152.6 | 159.3 | 166.4 | -84.8 | -72.6 | 0 | 0 | 0 | 116.1 | ||||
| 288 | H | 38.9 | Very low | 39.9 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | trans | -114.5 | 165.8 | 171.8 | -92.2 | -40.3 | 0 | 0 | 0 | 109.2 | ||||
| 289 | P | 44.9 | Very low | 38.8 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 84% | 0.844 | 76% | 0.762 | S | S | * | * | -156 | -156.7 | 55.8 | 44.1 | -19.6 | 0 | 0 | 0 | 118.2 | |||||
| 290 | Y | 33.6 | Very low | 38.9 | Very low | 192 Ų | 192 | 149.3 Ų | 149.3 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -80.1 | 165.2 | -172.4 | -117.1 | -100.2 | 0 | 0 | 0 | 116.3 | ||||
| 291 | P | 52 | Low | 39.7 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | -147.4 | -174.6 | 101.2 | 37.9 | -19.3 | 0 | 0 | 0 | 116.9 | |||||
| 292 | H | 37 | Very low | 39.6 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -108.2 | 162 | -169 | -60.1 | -103.5 | 0 | 0 | 0 | 116 | ||||
| 293 | Q | 34.9 | Very low | 40.5 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | 155.4 | 152.2 | 108.6 | -82.2 | -147.8 | -6 | 0 | 0 | 117.8 | |||||
| 294 | H | 33.5 | Very low | 40.7 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 67% | 0.667 | 77% | 0.771 | S | S | * | * | trans | 53.8 | 141.4 | 154 | -77 | 95.7 | 0 | 0 | 0 | 120.5 | ||||
| 295 | Q | 33.9 | Very low | 41.4 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | cis | -175 | 160.1 | 48.3 | -168.6 | 64.6 | 52.4 | 0 | 0 | 111.1 | ||||
| 296 | H | 38.3 | Very low | 41.1 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | trans | -100.5 | 161.3 | 167.9 | -71.8 | -87.1 | 0 | 0 | 0 | 113.2 | ||||
| 297 | P | 48.4 | Very low | 40.4 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | -140.3 | -172.1 | 115.2 | 36.6 | -21.6 | 0 | 0 | 0 | 114.6 | |||||
| 298 | A | 34.3 | Very low | 40.6 | Very low | 77 Ų | 77 | 149.3 Ų | 149.3 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | -148 | -174.1 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 299 | H | 35.4 | Very low | 40.5 | Very low | 176 Ų | 176 | 150 Ų | 150 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | 81.6 | 133.2 | 173.9 | -43.9 | -75.3 | 0 | 0 | 0 | 116.3 | ||||
| 300 | H | 38.8 | Very low | 39.9 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | cis | 82.9 | 151.7 | 40 | -90.4 | 59.7 | 0 | 0 | 0 | 115.2 | ||||
| 301 | P | 52.6 | Low | 40.1 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | cis | -144.4 | 179.4 | 12 | 42.4 | -23 | 0 | 0 | 0 | 119.9 | ||||
| 302 | H | 34.5 | Very low | 40 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | trans | 76.8 | 161.5 | 144.2 | -119.4 | 36.6 | 0 | 0 | 0 | 121.9 | ||||
| 303 | P | 55.4 | Low | 40.2 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | cis | -127.4 | 149.7 | -9.3 | 11 | 14.4 | 0 | 0 | 0 | 118.6 | ||||
| 304 | Q | 40.2 | Very low | 40.3 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | 49.8 | 165.8 | 141.1 | -84.3 | -147.5 | -22.7 | 0 | 0 | 124.5 | ||||
| 305 | P | 49.3 | Very low | 40.4 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -124.4 | -179 | -7.7 | 32.8 | -13.4 | 0 | 0 | 0 | 115.2 | ||||
| 306 | H | 40.8 | Very low | 40.4 | Very low | 188 Ų | 188 | 149 Ų | 149 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | -120.9 | 153.4 | 176.8 | -73.5 | -84.6 | 0 | 0 | 0 | 113.3 | ||||
| 307 | H | 38.6 | Very low | 40.3 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -146.5 | 113.6 | 143.7 | -139.3 | 73.8 | 0 | 0 | 0 | 116 | ||||
| 308 | Q | 37.3 | Very low | 39.8 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 62% | 0.621 | 77% | 0.773 | S | S | * | * | trans | 6 | 137 | 151.2 | -51.6 | -171.3 | 98.3 | 0 | 0 | 122.4 | ||||
| 309 | Q | 37.5 | Very low | 39.9 | Very low | 199 Ų | 199 | 154.3 Ų | 154.3 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | -149.4 | 159.2 | 104.1 | -133 | 178.5 | 13.2 | 0 | 0 | 111.6 | |||||
| 310 | N | 32 | Very low | 40.2 | Very low | 127 Ų | 127 | 152 Ų | 152 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | trans | -100 | 135.5 | -164.1 | -74 | -36.3 | 0 | 0 | 0 | 114.9 | ||||
| 311 | H | 38.2 | Very low | 40 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -136.9 | 112.1 | 159.9 | -83.6 | -4.4 | 0 | 0 | 0 | 110.6 | ||||
| 312 | P | 48.6 | Very low | 39.1 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -88.7 | 118.9 | 167.7 | 32.3 | -28.7 | 0 | 0 | 0 | 110.7 | ||||
| 313 | H | 41.2 | Very low | 39.4 | Very low | 182 Ų | 182 | 151.9 Ų | 151.9 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -73.7 | 141.9 | 160.5 | -73.7 | -77.9 | 0 | 0 | 0 | 109.8 | ||||
| 314 | H | 38.2 | Very low | 38.8 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | trans | -137.7 | 157.5 | 158.4 | -114.9 | -93.2 | 0 | 0 | 0 | 112 | ||||
| 315 | H | 35.4 | Very low | 38.6 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -84.3 | 156 | -163.7 | -107.6 | 53.6 | 0 | 0 | 0 | 114.9 | ||||
| 316 | S | 33.8 | Very low | 38 | Very low | 78 Ų | 78 | 151.6 Ų | 151.6 | 55% | 0.545 | 78% | 0.783 | S | S | . | * | trans | 46 | 121.8 | 143.7 | -53.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 317 | H | 35.8 | Very low | 37.8 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | -178.1 | 125.6 | 86.7 | -97.3 | -76.4 | 0 | 0 | 0 | 111.6 | |||||
| 318 | S | 37 | Very low | 37.5 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 88% | 0.881 | 78% | 0.775 | S | S | * | * | trans | -86.4 | 118.2 | 169.6 | -60.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 319 | H | 37.5 | Very low | 37.3 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -110.8 | 122.2 | 165.8 | -150.4 | -65.9 | 0 | 0 | 0 | 110.8 | ||||
| 320 | L | 40.7 | Very low | 37.1 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 67% | 0.665 | 78% | 0.782 | S | S | * | * | trans | -79.9 | 142.1 | 173.2 | -71 | 160.8 | 0 | 0 | 0 | 109.6 | ||||
| 321 | H | 35.2 | Very low | 37.7 | Very low | 182 Ų | 182 | 145 Ų | 145 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -142.4 | 152.3 | 153.5 | -135.5 | 70.1 | 0 | 0 | 0 | 111.5 | ||||
| 322 | A | 34.5 | Very low | 37.6 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | trans | -106.2 | 144.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 323 | H | 39.8 | Very low | 37.6 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | trans | -73.1 | 129.2 | 170.8 | -62.8 | -70.9 | 0 | 0 | 0 | 111.1 | ||||
| 324 | P | 43.9 | Very low | 37.6 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -71.8 | 124.8 | 161.4 | -10.5 | 27.1 | 0 | 0 | 0 | 109.2 | ||||
| 325 | A | 34.8 | Very low | 37.2 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -87.1 | 113.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | H327 | A325-H327 PolarHBondContact O-CE1 2.99Å; A325-H327 PolarHBondContact O-ND1 3.18Å | ||
| 326 | H | 37.8 | Very low | 37.4 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -111.4 | 156.9 | 159.2 | -93.2 | -52 | 0 | 0 | 0 | 110.8 | ||||
| 327 | H | 35.4 | Very low | 37.5 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 63% | 0.634 | 79% | 0.791 | S | S | * | * | trans | -142.3 | 123.2 | -147.9 | 14 | -100.2 | 0 | 0 | 0 | 109.4 | A325 | A325-H327 PolarHBondContact O-CE1 2.99Å; A325-H327 PolarHBondContact O-ND1 3.18Å | ||
| 328 | Q | 33.1 | Very low | 37.2 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -144 | 97.4 | 174.3 | -80.4 | -71.5 | 84.5 | 0 | 0 | 109 | ||||
| 329 | T | 32.4 | Very low | 37 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | 175.6 | 149.4 | 129.7 | 37.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 330 | S | 34.4 | Very low | 36.9 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -117.6 | -171.4 | 169 | -153.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 331 | P | 44.7 | Very low | 36.5 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 61% | 0.61 | 79% | 0.791 | S | S | * | * | -116.1 | -163.3 | -53.2 | 17.2 | 4.3 | 0 | 0 | 0 | 111.6 | |||||
| 332 | H | 35.8 | Very low | 36.5 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | 100.9 | 128.7 | 160.5 | -57.7 | -72.7 | 0 | 0 | 0 | 118.8 | ||||
| 333 | P | 48.8 | Very low | 36.6 | Very low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 163.8 | 174.4 | 39.7 | -34.4 | 0 | 0 | 0 | 113.4 | ||
| 334 | P | 40 | Very low | 36.3 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 153.9 | 168.6 | 31.9 | -34.9 | 0 | 0 | 0 | 112.6 | ||
| 335 | L | 31.2 | Very low | 36.4 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 150.4 | 179.3 | -68.9 | 152 | 0 | 0 | 0 | 112.3 | ||
| 336 | H | 38.3 | Very low | 36.3 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -129.6 | 132 | 165.2 | -143.3 | -74.8 | 0 | 0 | 0 | 110 | G338 | H336-G338 PolarHBondContact O-N 2.95Š| ||
| 337 | T | 35.8 | Very low | 36.5 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -62.4 | 130.3 | -175.1 | -46.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 338 | G | 30.8 | Very low | 36.9 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | -76.1 | 142.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H336 | H336-G338 PolarHBondContact O-N 2.95Š| ||
| 339 | N | 33 | Very low | 37.5 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -128.4 | 151.7 | 160.9 | -116.2 | -20.1 | 0 | 0 | 0 | 108.8 | ||||
| 340 | Q | 34.2 | Very low | 37.8 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -72.9 | 131.7 | -154.4 | -60.9 | 171.3 | 46.9 | 0 | 0 | 114.2 | ||||
| 341 | A | 32.8 | Very low | 38.1 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -92.5 | 110.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 342 | Q | 34.2 | Very low | 38 | Very low | 175 Ų | 175 | 145.1 Ų | 145.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -78.8 | 128.2 | 170.5 | -81.8 | -85.2 | -35.7 | 0 | 0 | 110 | ||||
| 343 | V | 38 | Very low | 38 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | trans | -91.9 | 142.1 | 173.3 | -69.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 344 | S | 33.2 | Very low | 37.6 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -156.7 | 146.9 | 163.3 | -83.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 345 | P | 45.6 | Very low | 38 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | trans | -88.5 | 155.8 | -167 | 35.2 | -36.3 | 0 | 0 | 0 | 113.2 | ||||
| 346 | A | 33.4 | Very low | 38.6 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | -131 | 92.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q348 | A346-Q348 PolarHBondContact O-N 3.18Š| ||
| 347 | T | 40.3 | Very low | 39.1 | Very low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -70.1 | 124 | 168 | 47.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 348 | Q | 44 | Very low | 39.5 | Very low | 204 Ų | 204 | 143.8 Ų | 143.8 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | trans | -144.1 | 156 | 157.2 | -122.7 | 175.5 | 105.5 | 0 | 0 | 111.3 | A346 | A346-Q348 PolarHBondContact O-N 3.18Š| ||
| 349 | Q | 46.2 | Very low | 40.2 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -118.2 | 127.6 | -152.5 | 176.3 | -167.6 | 94 | 0 | 0 | 109.7 | ||||
| 350 | M | 39 | Very low | 40.7 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -139 | 145.5 | 169.8 | -80.7 | -74 | 101.5 | 0 | 0 | 109.6 | ||||
| 351 | Q | 40 | Very low | 41.2 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -86.6 | 158.5 | -173.5 | -68.8 | -173.3 | 16.4 | 0 | 0 | 112.7 | ||||
| 352 | P | 44.1 | Very low | 42 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -86.4 | 125.6 | -175.2 | 33 | -33.5 | 0 | 0 | 0 | 113 | ||||
| 353 | T | 35.2 | Very low | 42.8 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -139.8 | 114.6 | 171.3 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 354 | Q | 39.7 | Very low | 42.9 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | 55.7 | 126.1 | 162.6 | -57.7 | -67.9 | 30.5 | 0 | 0 | 120.1 | ||||
| 355 | T | 47.9 | Very low | 43.5 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | -75.3 | 122.4 | 172.5 | 42.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 356 | I | 44.2 | Very low | 43.8 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -109.1 | 124.7 | 161.7 | -64 | 174.7 | 0 | 0 | 0 | 107.4 | ||||
| 357 | Q | 48.4 | Very low | 44.7 | Very low | 172 Ų | 172 | 154.9 Ų | 154.9 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 143.4 | -177.5 | -61.4 | 176.2 | 39.6 | 0 | 0 | 111 | ||
| 358 | P | 46.1 | Very low | 45.4 | Very low | 113 Ų | 113 | 159.7 Ų | 159.7 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 130 | 168.8 | 28.4 | -33.1 | 0 | 0 | 0 | 109.5 | Q360 | P358-Q360 PolarHBondContact O-N 2.91Š|
| 359 | P | 43.7 | Very low | 46.1 | Very low | 126 Ų | 126 | 155.3 Ų | 155.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 132.3 | 179.8 | 25.9 | -33.2 | 0 | 0 | 0 | 111 | ||
| 360 | Q | 44.8 | Very low | 46.7 | Very low | 158 Ų | 158 | 154.1 Ų | 154.1 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 142.1 | 177.6 | -71.2 | -76.5 | -20.9 | 0 | 0 | 111.6 | P358 T362 | P358-Q360 PolarHBondContact O-N 2.91Å; Q360-T362 PolarHBondContact O-N 3.18Å |
| 361 | P | 45.3 | Very low | 47.8 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -73.6 | 75.2 | 173.3 | 32.4 | -35 | 0 | 0 | 0 | 110 | G363 | P361-G363 PolarHBondContact O-N 3.34Š| ||
| 362 | T | 48.3 | Very low | 49.2 | Very low | 124 Ų | 124 | 147 Ų | 147 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -58.4 | 125.4 | 174.1 | 46.4 | 0 | 0 | 0 | 0 | 109.3 | Q360 G364 | Q360-T362 PolarHBondContact O-N 3.18Å; T362-G364 PolarHBondContact O-N 3.44Å | ||
| 363 | G | 51.5 | Low | 51.3 | Low | 76 Ų | 76 | 145 Ų | 145 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | -57.6 | 100.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P361 R365 | P361-G363 PolarHBondContact O-N 3.34Å; G363-R365 VanDerWaalsContact C-N 3.26Å; G363-R365 PolarHBondContact O-N 3Å | ||
| 364 | G | 39.9 | Very low | 53.9 | Low | 75 Ų | 75 | 143.3 Ų | 143.3 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -67.9 | 77.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T362 R366 | T362-G364 PolarHBondContact O-N 3.44Å; G364-R366 PolarHBondContact O-N 3Å | ||
| 365 | R | 46.1 | Very low | 56.5 | Low | 236 Ų | 236 | 140.1 Ų | 140.1 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | trans | -39.2 | 110.6 | 165.9 | 177.9 | -170.6 | -171.1 | -147.9 | 6.1 | 107.6 | G363 R367 | G363-R365 VanDerWaalsContact C-N 3.26Å; G363-R365 PolarHBondContact O-N 3Å; R365-R367 PolarHBondContact O-N 3.2Å | ||
| 366 | R | 51.6 | Low | 58.7 | Low | 234 Ų | 234 | 136.6 Ų | 136.6 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | trans | -42.7 | 107.2 | -169.7 | -68 | -175.3 | -176.2 | -174.2 | 2.4 | 109.4 | G364 R368 | G364-R366 PolarHBondContact O-N 3Å; R366-R368 VanDerWaalsContact C-N 3.28Å; R366-R368 PolarHBondContact O-N 3.43Å | ||
| 367 | R | 52.6 | Low | 61 | Low | 237 Ų | 237 | 135.5 Ų | 135.5 | 89% | 0.894 | 70% | 0.702 | S | S | * | * | trans | -61.1 | 101.8 | 164 | -82.1 | -174.1 | 175.7 | 176.7 | -0.9 | 104.5 | R365 V369 | R365-R367 PolarHBondContact O-N 3.2Å; R367-V369 VanDerWaalsContact C-N 3.27Å; R367-V369 PolarHBondContact O-N 3.13Å | ||
| 368 | R | 54.4 | Low | 63.3 | Low | 238 Ų | 238 | 133.4 Ų | 133.4 | 90% | 0.898 | 69% | 0.687 | S | S | * | * | trans | -58 | 106.6 | 157.3 | -61.3 | -169.3 | -156.2 | -172.1 | 7.6 | 103.3 | R366 V370 | R366-R368 VanDerWaalsContact C-N 3.28Å; R366-R368 PolarHBondContact O-N 3.43Å; R368-V370 PolarHBondContact O-N 3.2Å | ||
| 369 | V | 58.1 | Low | 65.7 | Low | 111 Ų | 111 | 135.9 Ų | 135.9 | 67% | 0.673 | 68% | 0.681 | S | S | * | * | trans | -54.8 | 127.4 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 105.4 | R367 D371 E372 | R367-V369 VanDerWaalsContact C-N 3.27Å; R367-V369 PolarHBondContact O-N 3.13Å; V369-D371 PolarHBondContact O-N 3.05Å; V369-E372 HydrophobicContact CG1-CG 4.07Å | ||
| 370 | V | 59.8 | Low | 68.2 | Low | 137 Ų | 137 | 132.9 Ų | 132.9 | 83% | 0.83 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -51.5 | 138.1 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 107.8 | R368 E372 | R368-V370 PolarHBondContact O-N 3.2Å; V370-E372 PolarHBondContact O-N 3.41Å |
| 371 | D | 61.4 | Low | 70.7 | Confident | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | -40.8 | 91.2 | -159.1 | -152 | 9.8 | 0 | 0 | 0 | 114 | V369 D373 | V369-D371 PolarHBondContact O-N 3.05Å; D371-D373 VanDerWaalsContact C-N 3.33Å; D371-D373 PolarHBondContact O-N 3.32Å | ||
| 372 | E | 69.3 | Low | 73.2 | Confident | 68 Ų | 68 | 129.7 Ų | 129.7 | 32% | 0.318 | 63% | 0.63 | S | S | . | * | trans | -68.9 | 97.5 | 170.5 | -97.1 | -104.8 | 167.3 | 0 | 0 | 106.4 | V369 V370 R377 K380 | V369-E372 HydrophobicContact CG1-CG 4.07Å; V370-E372 PolarHBondContact O-N 3.41Å; E372-R377 PolarHBondContact O-NH2 2.75Å; E372-K380 IonicContact OE1-NZ 3.43Å; E372-K380 PolarHBondContact OE1-NZ 3.49Å; E372-K380 IonicContact OE2-NZ 2.65Å; E372-K380 PolarHBondContact OE2-NZ 3.42Å | ||
| 373 | D | 88.4 | Confident | 75.6 | Confident | 84 Ų | 84 | 128.4 Ų | 128.4 | 45% | 0.449 | 62% | 0.616 | S | S | . | * | trans | -27.1 | 122.6 | 175.6 | 162.4 | 35.4 | 0 | 0 | 0 | 111.5 | D371 D375 E376 R377 | D371-D373 VanDerWaalsContact C-N 3.33Å; D371-D373 PolarHBondContact O-N 3.32Å; D373-D375 PolarHBondContact O-N 3.06Å; D373-D375 VanDerWaalsContact O-N 3.11Å; D373-D375 PolarHBondContact OD1-N 3.08Å; D373-E376 HydrophobicContact CB-CB 4.24Å; D373-E376 PolarHBondContact O-N 2.7Å; D373-E376 VanDerWaalsContact O-N 3.14Å; D373-E376 PolarHBondContact OD2-N 3.31Å; D373-R377 PolarHBondContact O-N 3.27Å | ||
| 374 | P | 91.3 | Very high | 77.8 | Confident | 92 Ų | 92 | 132.7 Ų | 132.7 | 60% | 0.597 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -48.5 | -36.6 | 177.1 | -29.9 | 36.4 | 0 | 0 | 0 | 113.8 | R378 | P374-R378 VanDerWaalsContact O-CB 3.25Å; P374-R378 WeakPolarHBondContact O-CB 3.39Å; P374-R378 PolarHBondContact O-N 2.97Å |
| 375 | D | 92.8 | Very high | 80.6 | Confident | 107 Ų | 107 | 133.4 Ų | 133.4 | 57% | 0.572 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.4 | -39.5 | 179.8 | -91.1 | -36.2 | 0 | 0 | 0 | 113.1 | D373 R377 R378 R379 | D373-D375 PolarHBondContact O-N 3.06Å; D373-D375 VanDerWaalsContact O-N 3.11Å; D373-D375 PolarHBondContact OD1-N 3.08Å; D375-R377 VanDerWaalsContact C-N 3.35Å; D375-R378 CarbonylContact O-C 3.58Å; D375-R378 WeakPolarHBondContact O-CB 3.41Å; D375-R378 PolarHBondContact O-N 3.34Å; D375-R379 WeakPolarHBondContact O-CB 3.33Å; D375-R379 PolarHBondContact O-N 3.5Å |
| 376 | E | 94.2 | Very high | 83.1 | Confident | 61 Ų | 61 | 129.5 Ų | 129.5 | 29% | 0.285 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.7 | -39.6 | 168.7 | 175.6 | 152.8 | -111.7 | 0 | 0 | 112.1 | D373 R378 R379 K380 | D373-E376 HydrophobicContact CB-CB 4.24Å; D373-E376 PolarHBondContact O-N 2.7Å; D373-E376 VanDerWaalsContact O-N 3.14Å; D373-E376 PolarHBondContact OD2-N 3.31Å; E376-R378 VanDerWaalsContact C-N 3.27Å; E376-R378 PolarHBondContact O-N 3.31Å; E376-R379 WeakPolarHBondContact O-CB 3.36Å; E376-R379 PolarHBondContact O-N 3.05Å; E376-R379 IonicContact OE1-CZ 2.66Å; E376-R379 IonicContact OE1-NE 3.65Å; E376-R379 IonicContact OE1-NH2 3.77Å; E376-R379 PolarHBondContact OE1-NH2 3.35Å; E376-K380 HydrophobicContact CG-CD 3.81Å; E376-K380 HydrophobicContact CG-CG 4.21Å; E376-K380 VanDerWaalsContact CG-NZ 3.28Å; E376-K380 WeakPolarHBondContact O-CB 3.37Å; E376-K380 WeakPolarHBondContact O-CG 3.37Å; E376-K380 PolarHBondContact O-N 3.03Å; E376-K380 IonicContact OE1-NZ 2.69Å; E376-K380 WeakPolarHBondContact OE2-CE 3.15Å; E376-K380 IonicContact OE2-NZ 2.76Å; E376-K380 PolarHBondContact OE2-NZ 2.95Å |
| 377 | R | 93.6 | Very high | 85.3 | Confident | 139 Ų | 139 | 120 Ų | 120 | 53% | 0.525 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.3 | -40.7 | 174.3 | -165.9 | -179.3 | -52.9 | 173.2 | 10.9 | 111.1 | E372 D373 D375 K380 F381 | E372-R377 PolarHBondContact O-NH2 2.75Å; D373-R377 PolarHBondContact O-N 3.27Å; D375-R377 VanDerWaalsContact C-N 3.35Å; R377-K380 PolarHBondContact O-N 3.4Å; R377-F381 PolarHBondContact O-N 3.01Å |
| 378 | R | 95.9 | Very high | 87.5 | Confident | 128 Ų | 128 | 110.8 Ų | 110.8 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.6 | -173.5 | 170.6 | 179.1 | -93 | -4.1 | 111.8 | P374 D375 E376 F381 L382 | P374-R378 VanDerWaalsContact O-CB 3.25Å; P374-R378 WeakPolarHBondContact O-CB 3.39Å; P374-R378 PolarHBondContact O-N 2.97Å; D375-R378 CarbonylContact O-C 3.58Å; D375-R378 WeakPolarHBondContact O-CB 3.41Å; D375-R378 PolarHBondContact O-N 3.34Å; E376-R378 VanDerWaalsContact C-N 3.27Å; E376-R378 PolarHBondContact O-N 3.31Å; R378-F381 PolarHBondContact O-N 3Å; R378-L382 HydrophobicContact CG-CD1 4.18Å; R378-L382 WeakPolarHBondContact O-CB 3.21Å; R378-L382 WeakPolarHBondContact O-CG 3.39Å; R378-L382 PolarHBondContact O-N 3.28Å |
| 379 | R | 96.8 | Very high | 89.6 | Confident | 165 Ų | 165 | 101.2 Ų | 101.2 | 62% | 0.623 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.1 | -50.3 | 172.3 | -174.6 | 173.6 | 81 | 139.1 | -2.8 | 111.3 | D375 E376 F381 L382 E383 | D375-R379 WeakPolarHBondContact O-CB 3.33Å; D375-R379 PolarHBondContact O-N 3.5Å; E376-R379 WeakPolarHBondContact O-CB 3.36Å; E376-R379 PolarHBondContact O-N 3.05Å; E376-R379 IonicContact OE1-CZ 2.66Å; E376-R379 IonicContact OE1-NE 3.65Å; E376-R379 IonicContact OE1-NH2 3.77Å; E376-R379 PolarHBondContact OE1-NH2 3.35Å; R379-F381 VanDerWaalsContact C-N 3.28Å; R379-F381 PolarHBondContact O-N 2.98Å; R379-L382 PolarHBondContact O-N 3.33Å; R379-E383 PolarHBondContact O-N 3.48Å |
| 380 | K | 96.8 | Very high | 91.6 | Very high | 62 Ų | 62 | 99.9 Ų | 99.9 | 27% | 0.27 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -30 | 176.8 | -70 | 167.1 | -179.5 | 157.7 | 0 | 112.3 | E372 E376 R377 R384 | E372-K380 IonicContact OE1-NZ 3.43Å; E372-K380 PolarHBondContact OE1-NZ 3.49Å; E372-K380 IonicContact OE2-NZ 2.65Å; E372-K380 PolarHBondContact OE2-NZ 3.42Å; E376-K380 HydrophobicContact CG-CD 3.81Å; E376-K380 HydrophobicContact CG-CG 4.21Å; E376-K380 VanDerWaalsContact CG-NZ 3.28Å; E376-K380 WeakPolarHBondContact O-CB 3.37Å; E376-K380 WeakPolarHBondContact O-CG 3.37Å; E376-K380 PolarHBondContact O-N 3.03Å; E376-K380 IonicContact OE1-NZ 2.69Å; E376-K380 WeakPolarHBondContact OE2-CE 3.15Å; E376-K380 IonicContact OE2-NZ 2.76Å; E376-K380 PolarHBondContact OE2-NZ 2.95Å; R377-K380 PolarHBondContact O-N 3.4Å; K380-R384 VanDerWaalsContact C-NH1 3.27Å; K380-R384 WeakPolarHBondContact O-CG 3.37Å; K380-R384 PolarHBondContact O-NH1 3.46Å |
| 381 | F | 96.9 | Very high | 93.4 | Very high | 132 Ų | 132 | 101 Ų | 101 | 58% | 0.579 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.8 | -49.5 | 172.4 | 178.2 | -95.5 | 0 | 0 | 0 | 112.1 | R377 R378 R379 E383 R384 N385 | R377-F381 PolarHBondContact O-N 3.01Å; R378-F381 PolarHBondContact O-N 3Å; R379-F381 VanDerWaalsContact C-N 3.28Å; R379-F381 PolarHBondContact O-N 2.98Å; F381-E383 VanDerWaalsContact C-N 3.27Å; F381-E383 PolarHBondContact O-N 3.13Å; F381-R384 PolarHBondContact O-N 2.89Å; F381-N385 PolarHBondContact O-N 3.4Å |
| 382 | L | 98.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 98.6 Ų | 98.6 | 41% | 0.408 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.8 | -38.1 | -179.8 | -72.7 | 170.5 | 0 | 0 | 0 | 112 | R378 R379 N385 R386 | R378-L382 HydrophobicContact CG-CD1 4.18Å; R378-L382 WeakPolarHBondContact O-CB 3.21Å; R378-L382 WeakPolarHBondContact O-CG 3.39Å; R378-L382 PolarHBondContact O-N 3.28Å; R379-L382 PolarHBondContact O-N 3.33Å; L382-N385 WeakPolarHBondContact O-CB 3.46Å; L382-N385 PolarHBondContact O-N 2.96Å; L382-R386 PolarHBondContact O-N 2.77Å |
| 383 | E | 98 | Very high | 96.6 | Very high | 97 Ų | 97 | 104.7 Ų | 104.7 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.9 | -36.2 | 179.1 | -163 | 49.7 | -133.8 | 0 | 0 | 112.8 | R379 F381 N385 R386 A387 | R379-E383 PolarHBondContact O-N 3.48Å; F381-E383 VanDerWaalsContact C-N 3.27Å; F381-E383 PolarHBondContact O-N 3.13Å; E383-N385 VanDerWaalsContact C-N 3.3Å; E383-N385 PolarHBondContact O-N 3.28Å; E383-R386 PolarHBondContact O-N 2.72Å; E383-R386 WeakPolarHBondContact OE1-CD 3.44Å; E383-R386 IonicContact OE1-NE 2.64Å; E383-R386 IonicContact OE2-CZ 2.97Å; E383-R386 IonicContact OE2-NE 3.34Å; E383-R386 PolarHBondContact OE2-NE 3.39Å; E383-R386 IonicContact OE2-NH2 3.55Å; E383-A387 WeakPolarHBondContact O-CB 3.42Å; E383-A387 PolarHBondContact O-N 3.23Å |
| 384 | R | 98.3 | Very high | 97.1 | Very high | 166 Ų | 166 | 105.6 Ų | 105.6 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.1 | -37.7 | 169.4 | -69.5 | -179.8 | -164.5 | 105.9 | -12.4 | 111.6 | K380 F381 A388 | K380-R384 VanDerWaalsContact C-NH1 3.27Å; K380-R384 WeakPolarHBondContact O-CG 3.37Å; K380-R384 PolarHBondContact O-NH1 3.46Å; F381-R384 PolarHBondContact O-N 2.89Å; R384-A388 WeakPolarHBondContact O-CB 3.33Å; R384-A388 PolarHBondContact O-N 3.36Å |
| 385 | N | 98.4 | Very high | 97.5 | Very high | 91 Ų | 91 | 109.2 Ų | 109.2 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 175.1 | -176 | -84.5 | 0 | 0 | 0 | 111.6 | F381 L382 E383 A387 A388 A389 | F381-N385 PolarHBondContact O-N 3.4Å; L382-N385 WeakPolarHBondContact O-CB 3.46Å; L382-N385 PolarHBondContact O-N 2.96Å; E383-N385 VanDerWaalsContact C-N 3.3Å; E383-N385 PolarHBondContact O-N 3.28Å; N385-A387 PolarHBondContact O-N 3.31Å; N385-A388 PolarHBondContact O-N 2.85Å; N385-A388 VanDerWaalsContact O-N 3.16Å; N385-A389 WeakPolarHBondContact O-CB 3.14Å; N385-A389 PolarHBondContact O-N 3.02Å |
| 386 | R | 98.8 | Very high | 97.7 | Very high | 153 Ų | 153 | 112.7 Ų | 112.7 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -55.1 | -51 | 173.6 | -168.6 | -167.2 | -52.3 | -80.8 | -0.5 | 111.1 | L382 E383 A388 A389 T390 | L382-R386 PolarHBondContact O-N 2.77Å; E383-R386 PolarHBondContact O-N 2.72Å; E383-R386 WeakPolarHBondContact OE1-CD 3.44Å; E383-R386 IonicContact OE1-NE 2.64Å; E383-R386 IonicContact OE2-CZ 2.97Å; E383-R386 IonicContact OE2-NE 3.34Å; E383-R386 PolarHBondContact OE2-NE 3.39Å; E383-R386 IonicContact OE2-NH2 3.55Å; R386-A388 VanDerWaalsContact C-N 3.33Å; R386-A388 PolarHBondContact O-N 3.03Å; R386-A389 PolarHBondContact O-N 3.42Å; R386-T390 PolarHBondContact O-N 3.48Å; R386-T390 PolarHBondContact O-OG1 3.09Å |
| 387 | A | 98.5 | Very high | 98 | Very high | 36 Ų | 36 | 116 Ų | 116 | 30% | 0.298 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E383 N385 R391 | E383-A387 WeakPolarHBondContact O-CB 3.42Å; E383-A387 PolarHBondContact O-N 3.23Å; N385-A387 PolarHBondContact O-N 3.31Å; A387-R391 WeakPolarHBondContact O-CG 3.33Å; A387-R391 PolarHBondContact O-N 3.15Å; A387-R391 PolarHBondContact O-NH1 3.31Å |
| 388 | A | 98.5 | Very high | 98.2 | Very high | 43 Ų | 43 | 113.5 Ų | 113.5 | 36% | 0.355 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R384 N385 R386 R391 C392 | R384-A388 WeakPolarHBondContact O-CB 3.33Å; R384-A388 PolarHBondContact O-N 3.36Å; N385-A388 PolarHBondContact O-N 2.85Å; N385-A388 VanDerWaalsContact O-N 3.16Å; R386-A388 VanDerWaalsContact C-N 3.33Å; R386-A388 PolarHBondContact O-N 3.03Å; A388-R391 PolarHBondContact O-N 3.48Å; A388-C392 WeakPolarHBondContact O-CB 3.46Å; A388-C392 PolarHBondContact O-N 3.46Å |
| 389 | A | 98.6 | Very high | 98.3 | Very high | 36 Ų | 36 | 114.8 Ų | 114.8 | 30% | 0.298 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N385 R386 C392 R393 | N385-A389 WeakPolarHBondContact O-CB 3.14Å; N385-A389 PolarHBondContact O-N 3.02Å; R386-A389 PolarHBondContact O-N 3.42Å; A389-C392 PolarHBondContact O-N 3.21Å; A389-R393 WeakPolarHBondContact O-CB 3.48Å; A389-R393 WeakPolarHBondContact O-CG 3.27Å; A389-R393 PolarHBondContact O-N 3.2Å |
| 390 | T | 98.7 | Very high | 98.4 | Very high | 83 Ų | 83 | 109.4 Ų | 109.4 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 173.4 | -62 | 0 | 0 | 0 | 0 | 111.7 | R386 C392 R393 Q394 | R386-T390 PolarHBondContact O-N 3.48Å; R386-T390 PolarHBondContact O-OG1 3.09Å; T390-C392 PolarHBondContact O-N 3Å; T390-R393 PolarHBondContact O-N 2.9Å; T390-Q394 WeakPolarHBondContact O-CB 3.37Å; T390-Q394 PolarHBondContact O-N 2.97Å |
| 391 | R | 98.7 | Very high | 98.5 | Very high | 162 Ų | 162 | 111.7 Ų | 111.7 | 61% | 0.611 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -38.3 | 175 | -72.9 | -171.3 | -59.3 | -88.2 | 0.8 | 112.8 | A387 A388 Q394 K395 | A387-R391 WeakPolarHBondContact O-CG 3.33Å; A387-R391 PolarHBondContact O-N 3.15Å; A387-R391 PolarHBondContact O-NH1 3.31Å; A388-R391 PolarHBondContact O-N 3.48Å; R391-Q394 PolarHBondContact O-N 3.12Å; R391-K395 WeakPolarHBondContact O-CB 3.47Å; R391-K395 PolarHBondContact O-N 3.02Å |
| 392 | C | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 108.9 Ų | 108.9 | 60% | 0.595 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -49.6 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | A388 A389 T390 Q394 K395 R396 | A388-C392 WeakPolarHBondContact O-CB 3.46Å; A388-C392 PolarHBondContact O-N 3.46Å; A389-C392 PolarHBondContact O-N 3.21Å; T390-C392 PolarHBondContact O-N 3Å; C392-Q394 PolarHBondContact O-N 3.01Å; C392-K395 PolarHBondContact O-N 2.91Å; C392-R396 PolarHBondContact O-N 3.46Å |
| 393 | R | 98.8 | Very high | 98.6 | Very high | 195 Ų | 195 | 109.3 Ų | 109.3 | 74% | 0.736 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.2 | -42.6 | 175.7 | -70.5 | 173.3 | -179.3 | -169 | -0.7 | 111.9 | A389 T390 R396 K397 | A389-R393 WeakPolarHBondContact O-CB 3.48Å; A389-R393 WeakPolarHBondContact O-CG 3.27Å; A389-R393 PolarHBondContact O-N 3.2Å; T390-R393 PolarHBondContact O-N 2.9Å; R393-R396 PolarHBondContact O-N 3.1Å; R393-K397 PolarHBondContact O-N 3.37Å |
| 394 | Q | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 109.6 Ų | 109.6 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 176.9 | -168.7 | 64.1 | -95.1 | 0 | 0 | 111.8 | T390 R391 C392 R396 K397 V398 | T390-Q394 WeakPolarHBondContact O-CB 3.37Å; T390-Q394 PolarHBondContact O-N 2.97Å; R391-Q394 PolarHBondContact O-N 3.12Å; C392-Q394 PolarHBondContact O-N 3.01Å; Q394-R396 VanDerWaalsContact C-N 3.31Å; Q394-R396 PolarHBondContact O-N 2.58Å; Q394-K397 PolarHBondContact O-N 3.15Å; Q394-V398 WeakPolarHBondContact O-CG2 3.4Å; Q394-V398 PolarHBondContact O-N 3.44Å |
| 395 | K | 98.8 | Very high | 98.7 | Very high | 168 Ų | 168 | 107.2 Ų | 107.2 | 73% | 0.73 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.1 | -40.4 | 175 | -173.6 | 177 | 179.3 | -178.6 | 0 | 111.6 | R391 C392 W399 | R391-K395 WeakPolarHBondContact O-CB 3.47Å; R391-K395 PolarHBondContact O-N 3.02Å; C392-K395 PolarHBondContact O-N 2.91Å; K395-W399 VanDerWaalsContact O-CB 3.3Å; K395-W399 WeakPolarHBondContact O-CB 3.34Å; K395-W399 PolarHBondContact O-N 2.86Å |
| 396 | R | 98.8 | Very high | 98.7 | Very high | 180 Ų | 180 | 108.6 Ų | 108.6 | 68% | 0.679 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | 174.4 | -173.6 | 172.6 | 177.5 | 166.2 | -0.8 | 112 | C392 R393 Q394 W399 V400 | C392-R396 PolarHBondContact O-N 3.46Å; R393-R396 PolarHBondContact O-N 3.1Å; Q394-R396 VanDerWaalsContact C-N 3.31Å; Q394-R396 PolarHBondContact O-N 2.58Å; R396-W399 PolarHBondContact O-N 3.02Å; R396-V400 HydrophobicContact CG-CG2 4.48Å; R396-V400 WeakPolarHBondContact O-CG2 3.42Å; R396-V400 PolarHBondContact O-N 3.29Å |
| 397 | K | 98.8 | Very high | 98.7 | Very high | 129 Ų | 129 | 103.8 Ų | 103.8 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.4 | -52.8 | 175.2 | 179.6 | 178.8 | -72.5 | -155.2 | 0 | 111.5 | R393 Q394 W399 V400 M401 | R393-K397 PolarHBondContact O-N 3.37Å; Q394-K397 PolarHBondContact O-N 3.15Å; K397-W399 VanDerWaalsContact C-N 3.28Å; K397-W399 PolarHBondContact O-N 3.35Å; K397-V400 PolarHBondContact O-N 3.28Å; K397-M401 HydrophobicContact CD-SD 4.21Å; K397-M401 HydrophobicContact CG-CG 4.37Å; K397-M401 HydrophobicContact CG-SD 3.82Å; K397-M401 WeakPolarHBondContact O-CG 3.45Å; K397-M401 PolarHBondContact O-N 3.4Å |
| 398 | V | 98.7 | Very high | 98.7 | Very high | 87 Ų | 87 | 108.3 Ų | 108.3 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 179.5 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | Q394 S402 | Q394-V398 WeakPolarHBondContact O-CG2 3.4Å; Q394-V398 PolarHBondContact O-N 3.44Å; V398-S402 VanDerWaalsContact O-CB 3.31Å; V398-S402 WeakPolarHBondContact O-CB 3.33Å; V398-S402 PolarHBondContact O-N 3.19Å |
| 399 | W | 98.6 | Very high | 98.7 | Very high | 156 Ų | 156 | 110.4 Ų | 110.4 | 59% | 0.591 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.1 | -45.1 | 175.2 | 178.7 | 60.1 | 0 | 0 | 0 | 112.6 | K395 R396 K397 S402 L403 | K395-W399 VanDerWaalsContact O-CB 3.3Å; K395-W399 WeakPolarHBondContact O-CB 3.34Å; K395-W399 PolarHBondContact O-N 2.86Å; R396-W399 PolarHBondContact O-N 3.02Å; K397-W399 VanDerWaalsContact C-N 3.28Å; K397-W399 PolarHBondContact O-N 3.35Å; W399-S402 PolarHBondContact O-N 3.1Å; W399-L403 HydrophobicContact CD2-CD1 4.18Å; W399-L403 HydrophobicContact CH2-CD1 4.25Å; W399-L403 HydrophobicContact CZ2-CD1 3.8Å; W399-L403 WeakPolarHBondContact O-CG 3.32Å; W399-L403 PolarHBondContact O-N 2.62Å; W399-L403 VanDerWaalsContact O-N 3.1Å |
| 400 | V | 98.8 | Very high | 98.7 | Very high | 51 Ų | 51 | 113.6 Ų | 113.6 | 31% | 0.309 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.8 | -49.8 | 175.8 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | R396 K397 S402 L403 E404 | R396-V400 HydrophobicContact CG-CG2 4.48Å; R396-V400 WeakPolarHBondContact O-CG2 3.42Å; R396-V400 PolarHBondContact O-N 3.29Å; K397-V400 PolarHBondContact O-N 3.28Å; V400-S402 PolarHBondContact O-N 3.21Å; V400-L403 WeakPolarHBondContact O-CA 3.49Å; V400-L403 WeakPolarHBondContact O-CB 3.37Å; V400-L403 PolarHBondContact O-N 3.25Å; V400-E404 HydrophobicContact CG1-CG 4.28Å; V400-E404 VanDerWaalsContact CG1-OE1 3.31Å; V400-E404 WeakPolarHBondContact CG1-OE1 3.35Å; V400-E404 WeakPolarHBondContact O-CG 3.49Å; V400-E404 PolarHBondContact O-N 2.92Å |
| 401 | M | 98.6 | Very high | 98.7 | Very high | 110 Ų | 110 | 114.2 Ų | 114.2 | 54% | 0.542 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58 | -33.9 | 175.9 | -68 | 175.8 | 68.8 | 0 | 0 | 113 | K397 L403 E404 K405 | K397-M401 HydrophobicContact CD-SD 4.21Å; K397-M401 HydrophobicContact CG-CG 4.37Å; K397-M401 HydrophobicContact CG-SD 3.82Å; K397-M401 WeakPolarHBondContact O-CG 3.45Å; K397-M401 PolarHBondContact O-N 3.4Å; M401-L403 VanDerWaalsContact C-N 3.34Å; M401-E404 VanDerWaalsContact CA-OE2 3.29Å; M401-E404 WeakPolarHBondContact CA-OE2 3.48Å; M401-K405 VanDerWaalsContact O-CB 3.32Å; M401-K405 WeakPolarHBondContact O-CB 3.25Å; M401-K405 PolarHBondContact O-N 2.97Å |
| 402 | S | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 111.7 Ų | 111.7 | 51% | 0.51 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -74.7 | -21.5 | 175.5 | -173.6 | 0 | 0 | 0 | 0 | 113.7 | V398 W399 V400 K406 | V398-S402 VanDerWaalsContact O-CB 3.31Å; V398-S402 WeakPolarHBondContact O-CB 3.33Å; V398-S402 PolarHBondContact O-N 3.19Å; W399-S402 PolarHBondContact O-N 3.1Å; V400-S402 PolarHBondContact O-N 3.21Å; S402-K406 WeakPolarHBondContact O-CB 3.45Å; S402-K406 PolarHBondContact O-N 3.4Å |
| 403 | L | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 110.4 Ų | 110.4 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -83.2 | -42.1 | 172.2 | -68.6 | 175.2 | 0 | 0 | 0 | 110.8 | W399 V400 M401 K406 A407 | W399-L403 HydrophobicContact CD2-CD1 4.18Å; W399-L403 HydrophobicContact CH2-CD1 4.25Å; W399-L403 HydrophobicContact CZ2-CD1 3.8Å; W399-L403 WeakPolarHBondContact O-CG 3.32Å; W399-L403 PolarHBondContact O-N 2.62Å; W399-L403 VanDerWaalsContact O-N 3.1Å; V400-L403 WeakPolarHBondContact O-CA 3.49Å; V400-L403 WeakPolarHBondContact O-CB 3.37Å; V400-L403 PolarHBondContact O-N 3.25Å; M401-L403 VanDerWaalsContact C-N 3.34Å; L403-K406 PolarHBondContact O-N 2.64Å; L403-A407 PolarHBondContact O-N 2.97Å |
| 404 | E | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 105.3 Ų | 105.3 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.2 | -55.6 | 174 | -69.3 | 164.1 | 160.6 | 0 | 0 | 110.2 | V400 M401 K406 A407 E408 | V400-E404 HydrophobicContact CG1-CG 4.28Å; V400-E404 VanDerWaalsContact CG1-OE1 3.31Å; V400-E404 WeakPolarHBondContact CG1-OE1 3.35Å; V400-E404 WeakPolarHBondContact O-CG 3.49Å; V400-E404 PolarHBondContact O-N 2.92Å; M401-E404 VanDerWaalsContact CA-OE2 3.29Å; M401-E404 WeakPolarHBondContact CA-OE2 3.48Å; E404-K406 VanDerWaalsContact C-N 3.26Å; E404-K406 PolarHBondContact O-N 3.2Å; E404-A407 WeakPolarHBondContact O-CB 3.41Å; E404-A407 PolarHBondContact O-N 2.91Å; E404-E408 WeakPolarHBondContact O-CG 3.47Å; E404-E408 PolarHBondContact O-N 3.01Å |
| 405 | K | 98.8 | Very high | 98.7 | Very high | 116 Ų | 116 | 105.7 Ų | 105.7 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.1 | -35.8 | 175.6 | -173.9 | 173.6 | -171.9 | -71.3 | 0 | 113.4 | M401 E408 E409 | M401-K405 VanDerWaalsContact O-CB 3.32Å; M401-K405 WeakPolarHBondContact O-CB 3.25Å; M401-K405 PolarHBondContact O-N 2.97Å; K405-E408 PolarHBondContact O-N 3.39Å; K405-E409 IonicContact NZ-OE1 3.54Å; K405-E409 PolarHBondContact NZ-OE1 2.97Å; K405-E409 VanDerWaalsContact O-CG 3.29Å; K405-E409 WeakPolarHBondContact O-CG 3.49Å; K405-E409 PolarHBondContact O-N 3.36Å |
| 406 | K | 98.7 | Very high | 98.7 | Very high | 119 Ų | 119 | 102.5 Ų | 102.5 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.2 | -31.7 | 177.6 | -175.2 | 167.1 | -178.4 | 173.2 | 0 | 112.3 | S402 L403 E404 L410 | S402-K406 WeakPolarHBondContact O-CB 3.45Å; S402-K406 PolarHBondContact O-N 3.4Å; L403-K406 PolarHBondContact O-N 2.64Å; E404-K406 VanDerWaalsContact C-N 3.26Å; E404-K406 PolarHBondContact O-N 3.2Å; K406-L410 HydrophobicContact CG-CD1 4.12Å; K406-L410 HydrophobicContact CG-CG 4.48Å; K406-L410 WeakPolarHBondContact O-CB 3.49Å; K406-L410 VanDerWaalsContact O-CG 3.25Å; K406-L410 WeakPolarHBondContact O-CG 3.44Å; K406-L410 PolarHBondContact O-N 2.99Å |
| 407 | A | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 98.8 Ų | 98.8 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | L403 E404 L410 T411 | L403-A407 PolarHBondContact O-N 2.97Å; E404-A407 WeakPolarHBondContact O-CB 3.41Å; E404-A407 PolarHBondContact O-N 2.91Å; A407-L410 PolarHBondContact O-N 3.2Å; A407-T411 WeakPolarHBondContact O-CB 3.36Å; A407-T411 PolarHBondContact O-N 2.98Å; A407-T411 PolarHBondContact O-OG1 3.3Å |
| 408 | E | 98.8 | Very high | 98.7 | Very high | 130 Ų | 130 | 98.3 Ų | 98.3 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -50.7 | 172.3 | -66.1 | 167.4 | 173.5 | 0 | 0 | 111.6 | E404 K405 L410 T411 Q412 | E404-E408 WeakPolarHBondContact O-CG 3.47Å; E404-E408 PolarHBondContact O-N 3.01Å; K405-E408 PolarHBondContact O-N 3.39Å; E408-L410 PolarHBondContact O-N 3.27Å; E408-T411 PolarHBondContact O-N 2.89Å; E408-T411 VanDerWaalsContact O-N 3.13Å; E408-Q412 WeakPolarHBondContact O-CB 3.29Å; E408-Q412 PolarHBondContact O-N 2.86Å |
| 409 | E | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 98.7 Ų | 98.7 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 176.5 | -74.9 | 167.8 | 178.3 | 0 | 0 | 112.7 | K405 T413 | K405-E409 IonicContact NZ-OE1 3.54Å; K405-E409 PolarHBondContact NZ-OE1 2.97Å; K405-E409 VanDerWaalsContact O-CG 3.29Å; K405-E409 WeakPolarHBondContact O-CG 3.49Å; K405-E409 PolarHBondContact O-N 3.36Å; E409-T413 WeakPolarHBondContact O-CB 3.3Å; E409-T413 WeakPolarHBondContact O-CG2 3.34Å; E409-T413 PolarHBondContact O-N 2.91Å; E409-T413 PolarHBondContact O-OG1 3.4Å |
| 410 | L | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 96 Ų | 96 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.6 | -32.7 | 176.9 | -72.4 | 171.7 | 0 | 0 | 0 | 112.3 | K406 A407 E408 T413 N414 | K406-L410 HydrophobicContact CG-CD1 4.12Å; K406-L410 HydrophobicContact CG-CG 4.48Å; K406-L410 WeakPolarHBondContact O-CB 3.49Å; K406-L410 VanDerWaalsContact O-CG 3.25Å; K406-L410 WeakPolarHBondContact O-CG 3.44Å; K406-L410 PolarHBondContact O-N 2.99Å; A407-L410 PolarHBondContact O-N 3.2Å; E408-L410 PolarHBondContact O-N 3.27Å; L410-T413 WeakPolarHBondContact CA-OG1 3.47Å; L410-T413 PolarHBondContact O-OG1 3.34Å; L410-N414 WeakPolarHBondContact O-CB 3.31Å; L410-N414 PolarHBondContact O-N 3.32Å |
| 411 | T | 98.7 | Very high | 98.7 | Very high | 96 Ų | 96 | 97.2 Ų | 97.2 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.8 | -44.1 | 174.9 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | A407 E408 N414 M415 | A407-T411 WeakPolarHBondContact O-CB 3.36Å; A407-T411 PolarHBondContact O-N 2.98Å; A407-T411 PolarHBondContact O-OG1 3.3Å; E408-T411 PolarHBondContact O-N 2.89Å; E408-T411 VanDerWaalsContact O-N 3.13Å; T411-N414 PolarHBondContact O-N 3.46Å; T411-M415 WeakPolarHBondContact O-CB 3.35Å; T411-M415 PolarHBondContact O-N 3.27Å |
| 412 | Q | 98.8 | Very high | 98.7 | Very high | 110 Ų | 110 | 94.7 Ų | 94.7 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 177.4 | -173.9 | -178.1 | 17.8 | 0 | 0 | 111.7 | E408 M415 Q416 | E408-Q412 WeakPolarHBondContact O-CB 3.29Å; E408-Q412 PolarHBondContact O-N 2.86Å; Q412-M415 PolarHBondContact O-N 3.46Å; Q412-Q416 WeakPolarHBondContact O-CG 3.29Å; Q412-Q416 PolarHBondContact O-N 2.88Å |
| 413 | T | 98.6 | Very high | 98.7 | Very high | 61 Ų | 61 | 97.2 Ų | 97.2 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.6 | -36.3 | 179.2 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | E409 L410 Q416 L417 | E409-T413 WeakPolarHBondContact O-CB 3.3Å; E409-T413 WeakPolarHBondContact O-CG2 3.34Å; E409-T413 PolarHBondContact O-N 2.91Å; E409-T413 PolarHBondContact O-OG1 3.4Å; L410-T413 WeakPolarHBondContact CA-OG1 3.47Å; L410-T413 PolarHBondContact O-OG1 3.34Å; T413-Q416 PolarHBondContact O-N 3.47Å; T413-L417 WeakPolarHBondContact O-CG 3.32Å; T413-L417 PolarHBondContact O-N 3.17Å |
| 414 | N | 98.7 | Very high | 98.7 | Very high | 88 Ų | 88 | 97.2 Ų | 97.2 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 171.9 | -169.5 | -18.5 | 0 | 0 | 0 | 111.3 | L410 T411 Q416 L417 Q418 | L410-N414 WeakPolarHBondContact O-CB 3.31Å; L410-N414 PolarHBondContact O-N 3.32Å; T411-N414 PolarHBondContact O-N 3.46Å; N414-Q416 VanDerWaalsContact C-N 3.34Å; N414-Q416 PolarHBondContact O-N 3.3Å; N414-L417 PolarHBondContact O-N 2.92Å; N414-Q418 WeakPolarHBondContact O-CG 3.41Å; N414-Q418 PolarHBondContact O-N 2.93Å; N414-Q418 PolarHBondContact OD1-NE2 3.28Å |
| 415 | M | 98.8 | Very high | 98.7 | Very high | 111 Ų | 111 | 99.1 Ų | 99.1 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 175.1 | -177.5 | 169.4 | 58.8 | 0 | 0 | 112.7 | T411 Q412 Q418 N419 | T411-M415 WeakPolarHBondContact O-CB 3.35Å; T411-M415 PolarHBondContact O-N 3.27Å; Q412-M415 PolarHBondContact O-N 3.46Å; M415-Q418 PolarHBondContact O-N 2.88Å; M415-N419 VanDerWaalsContact O-CG 3.24Å; M415-N419 PolarHBondContact O-N 2.97Å; M415-N419 PolarHBondContact O-ND2 3.36Å |
| 416 | Q | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 97.9 Ų | 97.9 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 173.7 | -74 | 167 | -13.4 | 0 | 0 | 111.9 | Q412 T413 N414 Q418 N419 E420 | Q412-Q416 WeakPolarHBondContact O-CG 3.29Å; Q412-Q416 PolarHBondContact O-N 2.88Å; T413-Q416 PolarHBondContact O-N 3.47Å; N414-Q416 VanDerWaalsContact C-N 3.34Å; N414-Q416 PolarHBondContact O-N 3.3Å; Q416-Q418 PolarHBondContact O-N 2.98Å; Q416-N419 WeakPolarHBondContact O-CB 3.3Å; Q416-N419 PolarHBondContact O-N 3.49Å; Q416-E420 PolarHBondContact O-N 2.94Å |
| 417 | L | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 97.3 Ų | 97.3 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 178 | -68.9 | 168.6 | 0 | 0 | 0 | 112.5 | T413 N414 E420 V421 | T413-L417 WeakPolarHBondContact O-CG 3.32Å; T413-L417 PolarHBondContact O-N 3.17Å; N414-L417 PolarHBondContact O-N 2.92Å; L417-E420 PolarHBondContact O-N 3.27Å; L417-V421 WeakPolarHBondContact O-CB 3.32Å; L417-V421 VanDerWaalsContact O-CG2 3.3Å; L417-V421 WeakPolarHBondContact O-CG2 3.48Å; L417-V421 PolarHBondContact O-N 3.45Å |
| 418 | Q | 98.7 | Very high | 98.7 | Very high | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 172.7 | -73.8 | -179.4 | 35.9 | 0 | 0 | 111.9 | N414 M415 Q416 V421 S422 | N414-Q418 WeakPolarHBondContact O-CG 3.41Å; N414-Q418 PolarHBondContact O-N 2.93Å; N414-Q418 PolarHBondContact OD1-NE2 3.28Å; M415-Q418 PolarHBondContact O-N 2.88Å; Q416-Q418 PolarHBondContact O-N 2.98Å; Q418-V421 PolarHBondContact O-N 3.18Å; Q418-S422 WeakPolarHBondContact O-CB 3.39Å; Q418-S422 PolarHBondContact O-N 3.4Å |
| 419 | N | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 94.6 Ų | 94.6 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 175.3 | -70.2 | -22.2 | 0 | 0 | 0 | 111.6 | M415 Q416 S422 M423 | M415-N419 VanDerWaalsContact O-CG 3.24Å; M415-N419 PolarHBondContact O-N 2.97Å; M415-N419 PolarHBondContact O-ND2 3.36Å; Q416-N419 WeakPolarHBondContact O-CB 3.3Å; Q416-N419 PolarHBondContact O-N 3.49Å; N419-S422 WeakPolarHBondContact O-CB 3.38Å; N419-S422 PolarHBondContact O-N 3.18Å; N419-M423 WeakPolarHBondContact O-CG 3.31Å; N419-M423 PolarHBondContact O-N 2.83Å |
| 420 | E | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 97 Ų | 97 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 174.9 | -171.9 | 178.9 | 174.9 | 0 | 0 | 112 | Q416 L417 S422 M423 L424 | Q416-E420 PolarHBondContact O-N 2.94Å; L417-E420 PolarHBondContact O-N 3.27Å; E420-S422 PolarHBondContact O-N 3.16Å; E420-M423 PolarHBondContact O-N 2.81Å; E420-L424 HydrophobicContact CG-CD1 4.08Å; E420-L424 WeakPolarHBondContact O-CG 3.32Å; E420-L424 PolarHBondContact O-N 2.94Å |
| 421 | V | 98.7 | Very high | 98.5 | Very high | 76 Ų | 76 | 96.4 Ų | 96.4 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -34.8 | 174.3 | 167.9 | 0 | 0 | 0 | 0 | 111.8 | L417 Q418 K425 | L417-V421 WeakPolarHBondContact O-CB 3.32Å; L417-V421 VanDerWaalsContact O-CG2 3.3Å; L417-V421 WeakPolarHBondContact O-CG2 3.48Å; L417-V421 PolarHBondContact O-N 3.45Å; Q418-V421 PolarHBondContact O-N 3.18Å; V421-K425 HydrophobicContact CG1-CD 4.2Å; V421-K425 VanDerWaalsContact O-CB 3.32Å; V421-K425 WeakPolarHBondContact O-CB 3.41Å; V421-K425 VanDerWaalsContact O-CG 3.23Å; V421-K425 WeakPolarHBondContact O-CG 3.45Å; V421-K425 PolarHBondContact O-N 2.95Å |
| 422 | S | 98.7 | Very high | 98.4 | Very high | 58 Ų | 58 | 98.8 Ų | 98.8 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -46.9 | 175.1 | -167.1 | 0 | 0 | 0 | 0 | 111.9 | Q418 N419 E420 K425 N426 | Q418-S422 WeakPolarHBondContact O-CB 3.39Å; Q418-S422 PolarHBondContact O-N 3.4Å; N419-S422 WeakPolarHBondContact O-CB 3.38Å; N419-S422 PolarHBondContact O-N 3.18Å; E420-S422 PolarHBondContact O-N 3.16Å; S422-K425 PolarHBondContact O-N 3.05Å; S422-N426 PolarHBondContact O-N 3.44Å; S422-N426 PolarHBondContact O-ND2 2.93Å |
| 423 | M | 98.6 | Very high | 98.3 | Very high | 125 Ų | 125 | 98.6 Ų | 98.6 | 62% | 0.616 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60 | -48.5 | 176.3 | -69.4 | -173.3 | -62.7 | 0 | 0 | 111.8 | N419 E420 K425 N426 E427 | N419-M423 WeakPolarHBondContact O-CG 3.31Å; N419-M423 PolarHBondContact O-N 2.83Å; E420-M423 PolarHBondContact O-N 2.81Å; M423-K425 VanDerWaalsContact C-N 3.35Å; M423-K425 PolarHBondContact O-N 3.32Å; M423-N426 PolarHBondContact O-N 3.45Å; M423-N426 VanDerWaalsContact O-N 3.12Å; M423-E427 PolarHBondContact O-N 3.44Å |
| 424 | L | 98.8 | Very high | 98.2 | Very high | 88 Ų | 88 | 100.2 Ų | 100.2 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 178.7 | -67.5 | 171.3 | 0 | 0 | 0 | 112.3 | E420 E427 V428 | E420-L424 HydrophobicContact CG-CD1 4.08Å; E420-L424 WeakPolarHBondContact O-CG 3.32Å; E420-L424 PolarHBondContact O-N 2.94Å; L424-E427 PolarHBondContact O-N 3.2Å; L424-V428 WeakPolarHBondContact O-CB 3.32Å; L424-V428 VanDerWaalsContact O-CG2 3.31Å; L424-V428 WeakPolarHBondContact O-CG2 3.35Å; L424-V428 PolarHBondContact O-N 2.97Å |
| 425 | K | 98.4 | Very high | 97.9 | Very high | 143 Ų | 143 | 102.2 Ų | 102.2 | 62% | 0.622 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 171.4 | -82.7 | 176 | 176.2 | -178.3 | 0 | 112 | V421 S422 M423 V428 A429 | V421-K425 HydrophobicContact CG1-CD 4.2Å; V421-K425 VanDerWaalsContact O-CB 3.32Å; V421-K425 WeakPolarHBondContact O-CB 3.41Å; V421-K425 VanDerWaalsContact O-CG 3.23Å; V421-K425 WeakPolarHBondContact O-CG 3.45Å; V421-K425 PolarHBondContact O-N 2.95Å; S422-K425 PolarHBondContact O-N 3.05Å; M423-K425 VanDerWaalsContact C-N 3.35Å; M423-K425 PolarHBondContact O-N 3.32Å; K425-V428 PolarHBondContact O-N 3.43Å; K425-A429 WeakPolarHBondContact O-CB 3.49Å; K425-A429 PolarHBondContact O-N 3.46Å |
| 426 | N | 98.5 | Very high | 97.6 | Very high | 91 Ų | 91 | 102 Ų | 102 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.9 | -35.5 | 179.4 | -67.3 | -16.9 | 0 | 0 | 0 | 111.9 | S422 M423 A429 Q430 | S422-N426 PolarHBondContact O-N 3.44Å; S422-N426 PolarHBondContact O-ND2 2.93Å; M423-N426 PolarHBondContact O-N 3.45Å; M423-N426 VanDerWaalsContact O-N 3.12Å; N426-A429 PolarHBondContact O-N 2.64Å; N426-Q430 WeakPolarHBondContact O-CG 3.35Å; N426-Q430 PolarHBondContact O-N 3.46Å; N426-Q430 PolarHBondContact O-NE2 2.74Å |
| 427 | E | 98.4 | Very high | 97.3 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -48.9 | 172.1 | -173.7 | 178.8 | -179 | 0 | 0 | 111.3 | M423 L424 A429 Q430 L431 | M423-E427 PolarHBondContact O-N 3.44Å; L424-E427 PolarHBondContact O-N 3.2Å; E427-A429 PolarHBondContact O-N 2.95Å; E427-Q430 PolarHBondContact O-N 2.99Å; E427-Q430 VanDerWaalsContact O-N 3.13Å; E427-L431 HydrophobicContact CG-CD1 4.1Å; E427-L431 HydrophobicContact CG-CG 4.47Å; E427-L431 WeakPolarHBondContact O-CG 3.41Å; E427-L431 PolarHBondContact O-N 2.84Å |
| 428 | V | 98.4 | Very high | 96.7 | Very high | 73 Ų | 73 | 101.9 Ų | 101.9 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.7 | -35.2 | 175.4 | 168.9 | 0 | 0 | 0 | 0 | 111.9 | L424 K425 K432 | L424-V428 WeakPolarHBondContact O-CB 3.32Å; L424-V428 VanDerWaalsContact O-CG2 3.31Å; L424-V428 WeakPolarHBondContact O-CG2 3.35Å; L424-V428 PolarHBondContact O-N 2.97Å; K425-V428 PolarHBondContact O-N 3.43Å; V428-K432 HydrophobicContact CG1-CD 4.09Å; V428-K432 WeakPolarHBondContact O-CB 3.44Å; V428-K432 VanDerWaalsContact O-CG 3.23Å; V428-K432 WeakPolarHBondContact O-CG 3.25Å; V428-K432 PolarHBondContact O-N 3.4Å |
| 429 | A | 98.1 | Very high | 96 | Very high | 53 Ų | 53 | 102.2 Ų | 102.2 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.9 | -45.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | K425 N426 E427 K432 Q433 | K425-A429 WeakPolarHBondContact O-CB 3.49Å; K425-A429 PolarHBondContact O-N 3.46Å; N426-A429 PolarHBondContact O-N 2.64Å; E427-A429 PolarHBondContact O-N 2.95Å; A429-K432 PolarHBondContact O-N 3.11Å; A429-Q433 WeakPolarHBondContact O-CB 3.46Å; A429-Q433 PolarHBondContact O-N 3.37Å |
| 430 | Q | 98 | Very high | 95 | Very high | 136 Ų | 136 | 103.6 Ų | 103.6 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 176.3 | -75.5 | 167.1 | 90.8 | 0 | 0 | 112.3 | N426 E427 Q433 L434 | N426-Q430 WeakPolarHBondContact O-CG 3.35Å; N426-Q430 PolarHBondContact O-N 3.46Å; N426-Q430 PolarHBondContact O-NE2 2.74Å; E427-Q430 PolarHBondContact O-N 2.99Å; E427-Q430 VanDerWaalsContact O-N 3.13Å; Q430-Q433 PolarHBondContact O-N 2.8Å; Q430-L434 WeakPolarHBondContact O-CB 3.44Å; Q430-L434 PolarHBondContact O-N 2.79Å |
| 431 | L | 97.7 | Very high | 94.3 | Very high | 92 Ų | 92 | 100.3 Ų | 100.3 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 177.2 | -68.8 | 172.7 | 0 | 0 | 0 | 111.8 | E427 L434 L435 | E427-L431 HydrophobicContact CG-CD1 4.1Å; E427-L431 HydrophobicContact CG-CG 4.47Å; E427-L431 WeakPolarHBondContact O-CG 3.41Å; E427-L431 PolarHBondContact O-N 2.84Å; L431-L434 PolarHBondContact O-N 3.28Å; L431-L435 WeakPolarHBondContact O-CB 3.43Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.33Å; L431-L435 PolarHBondContact O-N 3.26Å |
| 432 | K | 96.2 | Very high | 93 | Very high | 145 Ų | 145 | 101.2 Ų | 101.2 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 172.9 | -77.2 | 173.7 | 179.5 | -180 | 0 | 112.3 | V428 A429 L435 L436 | V428-K432 HydrophobicContact CG1-CD 4.09Å; V428-K432 WeakPolarHBondContact O-CB 3.44Å; V428-K432 VanDerWaalsContact O-CG 3.23Å; V428-K432 WeakPolarHBondContact O-CG 3.25Å; V428-K432 PolarHBondContact O-N 3.4Å; A429-K432 PolarHBondContact O-N 3.11Å; K432-L435 PolarHBondContact O-N 3.24Å; K432-L436 WeakPolarHBondContact O-CB 3.46Å; K432-L436 PolarHBondContact O-N 3.37Å |
| 433 | Q | 96.9 | Very high | 91.7 | Very high | 107 Ų | 107 | 104 Ų | 104 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.1 | -178.6 | 56.2 | 66.2 | 0 | 0 | 111.3 | A429 Q430 L436 T437 | A429-Q433 WeakPolarHBondContact O-CB 3.46Å; A429-Q433 PolarHBondContact O-N 3.37Å; Q430-Q433 PolarHBondContact O-N 2.8Å; Q433-L436 PolarHBondContact O-N 2.86Å; Q433-T437 PolarHBondContact NE2-OG1 3.41Å; Q433-T437 VanDerWaalsContact NE2-OG1 3.14Å; Q433-T437 PolarHBondContact O-N 2.87Å; Q433-T437 PolarHBondContact O-OG1 3.18Å |
| 434 | L | 95.6 | Very high | 90.2 | Very high | 95 Ų | 95 | 101.4 Ų | 101.4 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 177.2 | -175.7 | 64.4 | 0 | 0 | 0 | 111.5 | Q430 L431 L436 T437 H438 | Q430-L434 WeakPolarHBondContact O-CB 3.44Å; Q430-L434 PolarHBondContact O-N 2.79Å; L431-L434 PolarHBondContact O-N 3.28Å; L434-L436 VanDerWaalsContact C-N 3.3Å; L434-L436 PolarHBondContact O-N 3.31Å; L434-T437 PolarHBondContact O-N 3.35Å; L434-H438 PolarHBondContact O-CD2 2.92Å; L434-H438 VanDerWaalsContact O-CD2 3.3Å; L434-H438 PolarHBondContact O-N 2.97Å |
| 435 | L | 92.8 | Very high | 88.6 | Confident | 130 Ų | 130 | 99.8 Ų | 99.8 | 68% | 0.681 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.5 | -38.2 | 174.4 | -71.9 | 169.8 | 0 | 0 | 0 | 112.3 | L431 K432 H438 K439 | L431-L435 WeakPolarHBondContact O-CB 3.43Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.33Å; L431-L435 PolarHBondContact O-N 3.26Å; K432-L435 PolarHBondContact O-N 3.24Å; L435-H438 PolarHBondContact O-N 2.84Å; L435-K439 PolarHBondContact O-N 2.84Å |
| 436 | L | 92.9 | Very high | 86.9 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69 | -40.1 | 176.5 | -174.5 | 61.2 | 0 | 0 | 0 | 112 | K432 Q433 L434 H438 K439 | K432-L436 WeakPolarHBondContact O-CB 3.46Å; K432-L436 PolarHBondContact O-N 3.37Å; Q433-L436 PolarHBondContact O-N 2.86Å; L434-L436 VanDerWaalsContact C-N 3.3Å; L434-L436 PolarHBondContact O-N 3.31Å; L436-H438 VanDerWaalsContact C-N 3.31Å; L436-H438 PolarHBondContact O-N 3.47Å; L436-K439 HydrophobicContact CD1-CD 4.22Å; L436-K439 WeakPolarHBondContact O-CB 3.34Å; L436-K439 PolarHBondContact O-N 2.99Å |
| 437 | T | 91.6 | Very high | 85.2 | Confident | 98 Ų | 98 | 100.7 Ų | 100.7 | 60% | 0.601 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.5 | -34.8 | 174.8 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | Q433 L434 | Q433-T437 PolarHBondContact NE2-OG1 3.41Å; Q433-T437 VanDerWaalsContact NE2-OG1 3.14Å; Q433-T437 PolarHBondContact O-N 2.87Å; Q433-T437 PolarHBondContact O-OG1 3.18Å; L434-T437 PolarHBondContact O-N 3.35Å |
| 438 | H | 86.4 | Confident | 83.6 | Confident | 103 Ų | 103 | 104 Ų | 104 | 48% | 0.477 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -0.9 | 176.9 | -75.7 | -72.4 | 0 | 0 | 0 | 114.9 | L434 L435 L436 D440 C441 | L434-H438 PolarHBondContact O-CD2 2.92Å; L434-H438 VanDerWaalsContact O-CD2 3.3Å; L434-H438 PolarHBondContact O-N 2.97Å; L435-H438 PolarHBondContact O-N 2.84Å; L436-H438 VanDerWaalsContact C-N 3.31Å; L436-H438 PolarHBondContact O-N 3.47Å; H438-D440 VanDerWaalsContact C-N 3.25Å; H438-D440 PolarHBondContact O-N 3.2Å; H438-D440 VanDerWaalsContact O-N 3.16Å; H438-C441 WeakPolarHBondContact O-CB 3.25Å; H438-C441 PolarHBondContact O-N 2.77Å; H438-C441 VanDerWaalsContact O-N 3.07Å |
| 439 | K | 83.4 | Confident | 81.9 | Confident | 124 Ų | 124 | 108.3 Ų | 108.3 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.2 | -45.3 | -177.5 | 173.4 | -174.9 | 158.3 | -76.9 | 0 | 113.4 | L435 L436 | L435-K439 PolarHBondContact O-N 2.84Å; L436-K439 HydrophobicContact CD1-CD 4.22Å; L436-K439 WeakPolarHBondContact O-CB 3.34Å; L436-K439 PolarHBondContact O-N 2.99Å |
| 440 | D | 78.9 | Confident | 80.1 | Confident | 124 Ų | 124 | 110.4 Ų | 110.4 | 66% | 0.663 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 26.8 | -174 | -55.7 | -58.1 | 0 | 0 | 0 | 111.8 | H438 | H438-D440 VanDerWaalsContact C-N 3.25Å; H438-D440 PolarHBondContact O-N 3.2Å; H438-D440 VanDerWaalsContact O-N 3.16Å |
| 441 | C | 83.3 | Confident | 78.1 | Confident | 31 Ų | 31 | 111.7 Ų | 111.7 | 21% | 0.209 | 58% | 0.578 | C | S | . | * | trans | -65 | 133.2 | 178 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | H438 I443 T444 A445 | H438-C441 WeakPolarHBondContact O-CB 3.25Å; H438-C441 PolarHBondContact O-N 2.77Å; H438-C441 VanDerWaalsContact O-N 3.07Å; C441-I443 VanDerWaalsContact C-N 3.27Å; C441-I443 PolarHBondContact O-N 2.75Å; C441-T444 WeakPolarHBondContact O-CA 3.49Å; C441-T444 WeakPolarHBondContact O-CB 3.36Å; C441-T444 PolarHBondContact O-N 2.93Å; C441-A445 PolarHBondContact O-N 2.85Å | ||
| 442 | P | 71.6 | Confident | 76.1 | Confident | 95 Ų | 95 | 110 Ų | 110 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.1 | -30.2 | -176 | 22.6 | -33.6 | 0 | 0 | 0 | 113.8 | A445 M446 | P442-A445 PolarHBondContact O-N 3.44Å; P442-M446 WeakPolarHBondContact O-CG 3.33Å; P442-M446 PolarHBondContact O-N 3.49Å |
| 443 | I | 71.7 | Confident | 73.9 | Confident | 118 Ų | 118 | 114 Ų | 114 | 61% | 0.605 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.7 | -41.1 | 174.2 | -64 | 175.9 | 0 | 0 | 0 | 110.5 | C441 M446 Q447 | C441-I443 VanDerWaalsContact C-N 3.27Å; C441-I443 PolarHBondContact O-N 2.75Å; I443-M446 PolarHBondContact O-N 3.43Å; I443-Q447 WeakPolarHBondContact O-CB 3.22Å; I443-Q447 WeakPolarHBondContact O-CG 3.4Å; I443-Q447 PolarHBondContact O-N 2.99Å |
| 444 | T | 66.9 | Low | 71.5 | Confident | 69 Ų | 69 | 117.3 Ų | 117.3 | 42% | 0.423 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.5 | -37 | 177 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | C441 K448 | C441-T444 WeakPolarHBondContact O-CA 3.49Å; C441-T444 WeakPolarHBondContact O-CB 3.36Å; C441-T444 PolarHBondContact O-N 2.93Å; T444-K448 WeakPolarHBondContact O-CB 3.35Å; T444-K448 PolarHBondContact O-N 2.85Å |
| 445 | A | 64.4 | Low | 69.2 | Low | 55 Ų | 55 | 117.3 Ų | 117.3 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.3 | -50.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C441 P442 Q447 K448 E449 | C441-A445 PolarHBondContact O-N 2.85Å; P442-A445 PolarHBondContact O-N 3.44Å; A445-Q447 VanDerWaalsContact C-N 3.33Å; A445-Q447 PolarHBondContact O-N 2.88Å; A445-K448 WeakPolarHBondContact O-CB 3.44Å; A445-K448 PolarHBondContact O-N 3.4Å; A445-K448 VanDerWaalsContact O-N 3.1Å; A445-E449 PolarHBondContact O-N 3.16Å |
| 446 | M | 63 | Low | 67.1 | Low | 135 Ų | 135 | 117.2 Ų | 117.2 | 67% | 0.665 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65 | -32.5 | 178.3 | -70.3 | -170.4 | 78 | 0 | 0 | 113.2 | P442 I443 E449 S450 | P442-M446 WeakPolarHBondContact O-CG 3.33Å; P442-M446 PolarHBondContact O-N 3.49Å; I443-M446 PolarHBondContact O-N 3.43Å; M446-E449 PolarHBondContact O-N 2.87Å; M446-S450 WeakPolarHBondContact O-CB 3.39Å; M446-S450 PolarHBondContact O-N 2.66Å; M446-S450 PolarHBondContact O-OG 3.19Å |
| 447 | Q | 64 | Low | 64.9 | Low | 118 Ų | 118 | 120.2 Ų | 120.2 | 55% | 0.551 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.7 | -41.2 | 170.9 | -79.6 | -177.1 | -39.4 | 0 | 0 | 112 | I443 A445 E449 S450 Q451 | I443-Q447 WeakPolarHBondContact O-CB 3.22Å; I443-Q447 WeakPolarHBondContact O-CG 3.4Å; I443-Q447 PolarHBondContact O-N 2.99Å; A445-Q447 VanDerWaalsContact C-N 3.33Å; A445-Q447 PolarHBondContact O-N 2.88Å; Q447-E449 VanDerWaalsContact C-N 3.32Å; Q447-E449 PolarHBondContact O-N 3.14Å; Q447-S450 WeakPolarHBondContact CA-OG 3.44Å; Q447-S450 PolarHBondContact O-OG 3.11Å; Q447-Q451 WeakPolarHBondContact O-CB 3.4Å; Q447-Q451 PolarHBondContact O-N 2.95Å |
| 448 | K | 64.6 | Low | 62.8 | Low | 177 Ų | 177 | 120.7 Ų | 120.7 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.5 | -32.2 | 177 | -170.1 | 177.9 | 179.5 | -176 | 0 | 112.7 | T444 A445 | T444-K448 WeakPolarHBondContact O-CB 3.35Å; T444-K448 PolarHBondContact O-N 2.85Å; A445-K448 WeakPolarHBondContact O-CB 3.44Å; A445-K448 PolarHBondContact O-N 3.4Å; A445-K448 VanDerWaalsContact O-N 3.1Å |
| 449 | E | 62.6 | Low | 60.5 | Low | 162 Ų | 162 | 121.4 Ų | 121.4 | 76% | 0.757 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -80.1 | -35.5 | 177.2 | -168.3 | 163.6 | -157.7 | 0 | 0 | 112.6 | A445 M446 Q447 G452 | A445-E449 PolarHBondContact O-N 3.16Å; M446-E449 PolarHBondContact O-N 2.87Å; Q447-E449 VanDerWaalsContact C-N 3.32Å; Q447-E449 PolarHBondContact O-N 3.14Å; E449-G452 PolarHBondContact O-N 2.81Å |
| 450 | S | 60.2 | Low | 59.2 | Low | 98 Ų | 98 | 121.1 Ų | 121.1 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -77.9 | -19 | 174.2 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | M446 Q447 G452 | M446-S450 WeakPolarHBondContact O-CB 3.39Å; M446-S450 PolarHBondContact O-N 2.66Å; M446-S450 PolarHBondContact O-OG 3.19Å; Q447-S450 WeakPolarHBondContact CA-OG 3.44Å; Q447-S450 PolarHBondContact O-OG 3.11Å; S450-G452 PolarHBondContact O-N 2.69Å |
| 451 | Q | 55.6 | Low | 57.8 | Low | 163 Ų | 163 | 121.4 Ų | 121.4 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 38.7 | 165.3 | -70.3 | -167.3 | -20.4 | 0 | 0 | 112.9 | Q447 | Q447-Q451 WeakPolarHBondContact O-CB 3.4Å; Q447-Q451 PolarHBondContact O-N 2.95Å |
| 452 | G | 56.4 | Low | 55.7 | Low | 55 Ų | 55 | 124.6 Ų | 124.6 | 57% | 0.567 | 71% | 0.713 | S | S | * | * | trans | -57.1 | 139.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E449 S450 | E449-G452 PolarHBondContact O-N 2.81Å; S450-G452 PolarHBondContact O-N 2.69Å | ||
| 453 | Y | 49.5 | Very low | 54.3 | Low | 229 Ų | 229 | 124.7 Ų | 124.7 | 90% | 0.898 | 72% | 0.716 | S | S | * | * | trans | 72.9 | 57.7 | 168.6 | -102.4 | -87.9 | 0 | 0 | 0 | 119.3 | ||||
| 454 | L | 47.3 | Very low | 53.5 | Low | 178 Ų | 178 | 125.2 Ų | 125.2 | 93% | 0.932 | 73% | 0.727 | S | S | * | * | trans | -136.2 | 61.8 | 142.3 | -77.9 | -175.3 | 0 | 0 | 0 | 111.9 | ||||
| 455 | S | 45.7 | Very low | 52.3 | Low | 95 Ų | 95 | 128.2 Ų | 128.2 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | trans | -100.5 | 121.4 | 166.2 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | E457 | S455-E457 PolarHBondContact O-N 2.76Š| ||
| 456 | P | 49.8 | Very low | 51.4 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -79.3 | 51.6 | -177.2 | 34 | -36.7 | 0 | 0 | 0 | 112.9 | S458 | P456-S458 VanDerWaalsContact C-N 3.34Å; P456-S458 PolarHBondContact O-N 2.65Å; P456-S458 VanDerWaalsContact O-N 3.09Å | ||
| 457 | E | 46.3 | Very low | 50.6 | Low | 171 Ų | 171 | 130.1 Ų | 130.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -85.5 | 71.1 | 179.8 | -167.8 | 65.9 | -169.3 | 0 | 0 | 110.7 | S455 | S455-E457 PolarHBondContact O-N 2.76Š| ||
| 458 | S | 46.8 | Very low | 49 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -159.6 | 89.5 | 164.4 | 37.8 | 0 | 0 | 0 | 0 | 112.5 | P456 | P456-S458 VanDerWaalsContact C-N 3.34Å; P456-S458 PolarHBondContact O-N 2.65Å; P456-S458 VanDerWaalsContact O-N 3.09Å | ||
| 459 | S | 39.2 | Very low | 48.4 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -148.9 | 144.4 | 159.5 | -79.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 460 | P | 54.5 | Low | 47.3 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 160.2 | -166.8 | 28.5 | -35.9 | 0 | 0 | 0 | 113.5 | A462 | P460-A462 PolarHBondContact O-N 3.41Š|
| 461 | P | 50.9 | Low | 46.5 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 131.3 | -178.6 | 23.8 | -34.7 | 0 | 0 | 0 | 112 | ||
| 462 | A | 38.3 | Very low | 45.8 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | P460 | P460-A462 PolarHBondContact O-N 3.41Š|
| 463 | S | 42.2 | Very low | 45.1 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 145.7 | 167.9 | -161.9 | 0 | 0 | 0 | 0 | 110.2 | V465 | S463-V465 PolarHBondContact O-N 3.22Š|
| 464 | P | 56.3 | Low | 44.8 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 120.1 | -178.2 | 26.9 | -34.8 | 0 | 0 | 0 | 111.8 | ||
| 465 | V | 41.1 | Very low | 44.4 | Very low | 133 Ų | 133 | 129 Ų | 129 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -114.3 | 154.6 | 172.8 | -86 | 0 | 0 | 0 | 0 | 111 | S463 | S463-V465 PolarHBondContact O-N 3.22Š| ||
| 466 | P | 45.2 | Very low | 44 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -84.4 | 162.3 | -149.1 | -13 | 30.1 | 0 | 0 | 0 | 114.9 | C468 | P466-C468 PolarHBondContact O-N 3.41Š| ||
| 467 | A | 46.2 | Very low | 43.8 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -63.7 | 100.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 468 | C | 30.9 | Very low | 43.5 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -96.5 | 110.7 | 172.4 | -169.6 | 0 | 0 | 0 | 0 | 109.9 | P466 Q470 | P466-C468 PolarHBondContact O-N 3.41Å; C468-Q470 PolarHBondContact O-N 3.09Å | ||
| 469 | S | 51.3 | Low | 43.3 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -75.3 | 118.5 | 178.4 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 470 | Q | 39 | Very low | 43.1 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | -156 | 96.8 | 157.6 | -120.2 | 169.3 | 108.4 | 0 | 0 | 112.6 | C468 | C468-Q470 PolarHBondContact O-N 3.09Š| ||
| 471 | Q | 44 | Very low | 42.1 | Very low | 190 Ų | 190 | 131.9 Ų | 131.9 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -82.8 | 119.5 | 151.2 | -72.5 | 177.1 | -66.9 | 0 | 0 | 107.6 | ||||
| 472 | Q | 40.6 | Very low | 41.3 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -115.3 | 124.1 | 155.3 | -73.8 | -155.8 | -23.9 | 0 | 0 | 108.8 | I474 | Q472-I474 PolarHBondContact O-N 3.45Š| ||
| 473 | V | 42.3 | Very low | 41 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | -88.1 | 101.6 | -171.2 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | Q475 | V473-Q475 HydrophobicContact CG1-CG 3.83Å; V473-Q475 PolarHBondContact O-N 2.96Å; V473-Q475 VanDerWaalsContact O-N 3.14Å | ||
| 474 | I | 42.4 | Very low | 40.6 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | -78.9 | 93.7 | 166.6 | -59.1 | 179.7 | 0 | 0 | 0 | 108 | Q472 H476 | Q472-I474 PolarHBondContact O-N 3.45Å; I474-H476 PolarHBondContact O-N 3.18Å; I474-H476 VanDerWaalsContact O-N 3.1Å; I474-H476 PolarHBondContact O-ND1 3.34Å | ||
| 475 | Q | 39.2 | Very low | 39.6 | Very low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -67.8 | 103.7 | 177.1 | -63.6 | -175.8 | 13 | 0 | 0 | 110.3 | V473 | V473-Q475 HydrophobicContact CG1-CG 3.83Å; V473-Q475 PolarHBondContact O-N 2.96Å; V473-Q475 VanDerWaalsContact O-N 3.14Å | ||
| 476 | H | 38.2 | Very low | 39.2 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | trans | -93.7 | 109.6 | 167.1 | 49.6 | -82.5 | 0 | 0 | 0 | 108.9 | I474 T478 | I474-H476 PolarHBondContact O-N 3.18Å; I474-H476 VanDerWaalsContact O-N 3.1Å; I474-H476 PolarHBondContact O-ND1 3.34Å; H476-T478 PolarHBondContact O-N 3.38Å | ||
| 477 | N | 45.1 | Very low | 38.6 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -74.2 | 75.7 | 174 | -85.6 | -11.7 | 0 | 0 | 0 | 110.7 | ||||
| 478 | T | 38.8 | Very low | 37.9 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 56% | 0.564 | 77% | 0.77 | S | S | * | * | trans | -90 | 109.5 | 168 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | H476 T480 | H476-T478 PolarHBondContact O-N 3.38Å; T478-T480 PolarHBondContact O-N 3.43Å | ||
| 479 | I | 43 | Very low | 38.1 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -73.4 | 96.2 | 170 | -61 | 174.4 | 0 | 0 | 0 | 107.7 | T481 | I479-T481 PolarHBondContact O-N 3.47Š| ||
| 480 | T | 35 | Very low | 37.2 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | trans | -83.6 | 98.1 | 179.5 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | T478 S482 | T478-T480 PolarHBondContact O-N 3.43Å; T480-S482 PolarHBondContact O-N 3.05Å | ||
| 481 | T | 34.3 | Very low | 36.8 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -73.4 | 101.2 | 164.6 | 50 | 0 | 0 | 0 | 0 | 109.6 | I479 | I479-T481 PolarHBondContact O-N 3.47Š| ||
| 482 | S | 33.1 | Very low | 36.2 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -86.2 | 112 | -180 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | T480 | T480-S482 PolarHBondContact O-N 3.05Š| ||
| 483 | S | 33.6 | Very low | 35.9 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -97.6 | 109.6 | 165.2 | -61.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 484 | S | 32.2 | Very low | 35.3 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -81.4 | 122.7 | 173.4 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 485 | V | 35.8 | Very low | 34.8 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -100.1 | 128.5 | 161.6 | -69.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 486 | S | 32.3 | Very low | 34.4 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -118.5 | 97.6 | 180 | -63.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 487 | E | 32.3 | Very low | 34 | Very low | 182 Ų | 182 | 128.3 Ų | 128.3 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -85 | 115.2 | 167.7 | -66.8 | -158.9 | 133.9 | 0 | 0 | 109.9 | ||||
| 488 | V | 33.3 | Very low | 33.3 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -91.5 | 107.2 | 166.4 | 158.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 489 | V | 35.2 | Very low | 33.1 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -101.1 | 98.2 | 167.9 | -178.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 490 | G | 31.3 | Very low | 32.7 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -70.9 | 125.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 491 | S | 30.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -101.2 | 128.7 | 172.9 | -177.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 492 | S | 31.5 | Very low | 32.6 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -162.3 | 115.9 | 161.8 | -81.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 493 | T | 35.1 | Very low | 32.7 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 50.4 | 111.3 | 140.6 | 61.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 494 | L | 29.9 | Very low | 33 | Very low | 179 Ų | 179 | 137.2 Ų | 137.2 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | -137.3 | 153.1 | 126.9 | -167.3 | 57.9 | 0 | 0 | 0 | 109.1 | |||||
| 495 | S | 30.7 | Very low | 33.2 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -113.7 | 178.2 | -168.7 | -51.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 496 | Q | 30.8 | Very low | 34 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 79.5 | 140.5 | 175.8 | -50.4 | 174.2 | 45.4 | 0 | 0 | 113.2 | ||||
| 497 | L | 31.3 | Very low | 34.4 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | cis | -149.8 | 143.2 | 4.5 | -123 | 154.5 | 0 | 0 | 0 | 109 | T499 | L497-T499 HydrophobicContact CD2-CG2 4.06Š| ||
| 498 | T | 30.7 | Very low | 34.8 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -148.4 | 125.5 | 172.2 | -51.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 499 | T | 34.6 | Very low | 34.9 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 64% | 0.644 | 80% | 0.798 | S | S | * | * | trans | -134.4 | 109.7 | -173.8 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | L497 | L497-T499 HydrophobicContact CD2-CG2 4.06Š| ||
| 500 | H | 33.9 | Very low | 34.9 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | 66.4 | 149.9 | 146.3 | -73.5 | -87.8 | 0 | 0 | 0 | 122.5 | ||||
| 501 | R | 30.6 | Very low | 35.1 | Very low | 221 Ų | 221 | 146.9 Ų | 146.9 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | 77.4 | 137.5 | 170 | -47.7 | -161.4 | 77.9 | 166.7 | 4.9 | 114.8 | ||||
| 502 | T | 37.1 | Very low | 35.4 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | cis | -146.1 | 148.3 | 0.7 | -17.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 503 | D | 35.1 | Very low | 35.6 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -145.1 | 178.5 | 164.2 | -150.4 | -32.5 | 0 | 0 | 0 | 107.8 | ||||
| 504 | L | 38.8 | Very low | 35.6 | Very low | 149 Ų | 149 | 153.1 Ų | 153.1 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | 80.9 | 138.1 | -163.3 | -51.1 | 168.3 | 0 | 0 | 0 | 113 | ||||
| 505 | N | 36 | Very low | 36 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | cis | -143.1 | 158.6 | 11 | -119.7 | -12.8 | 0 | 0 | 0 | 112.3 | ||||
| 506 | P | 52.7 | Low | 36.4 | Very low | 102 Ų | 102 | 155.8 Ų | 155.8 | 66% | 0.662 | 81% | 0.811 | S | S | * | * | trans | -92.6 | 157.5 | 179.4 | 37.4 | -34 | 0 | 0 | 0 | 113.9 | L508 | P506-L508 PolarHBondContact O-N 3.44Š| ||
| 507 | I | 40.4 | Very low | 36.9 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | 12.5 | 99.4 | 149.2 | -45.8 | 174.3 | 0 | 0 | 0 | 116.8 | ||||
| 508 | L | 41.7 | Very low | 37.4 | Very low | 237 Ų | 237 | 155.5 Ų | 155.5 | 100% | 1.241 | 82% | 0.818 | S | S | * | * | -161.8 | 0 | 112.9 | -109.5 | 169.4 | 0 | 0 | 0 | 111.2 | P506 | P506-L508 PolarHBondContact O-N 3.44Š|
Retrieved 508 of 508 residues in 1727.1 ms
(Link to these results)