| 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 | 39.5 | Very low | 44.9 | Very low | 253 Ų | 253 | 107 Ų | 107 | 100% | 1.246 | 68% | 0.676 | S | S | * | * | 0 | 148.6 | 0 | -64.1 | -167.5 | -69.8 | 0 | 0 | 108.3 | |||||
| 2 | G | 32.3 | Very low | 47.7 | Very low | 65 Ų | 65 | 106.7 Ų | 106.7 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | trans | -147.5 | 153.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | E4 | G2-E4 PolarHBondContact O-N 2.8Š| ||
| 3 | A | 33.6 | Very low | 50.1 | Low | 100 Ų | 100 | 102.9 Ų | 102.9 | 83% | 0.826 | 64% | 0.644 | S | S | * | * | trans | -78.8 | 88.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 4 | E | 43.9 | Very low | 51.9 | Low | 118 Ų | 118 | 102.1 Ų | 102.1 | 55% | 0.551 | 63% | 0.632 | S | S | * | * | trans | -108 | 27.8 | 169.1 | 55.2 | -179.6 | -145.4 | 0 | 0 | 112.2 | G2 R62 | G2-E4 PolarHBondContact O-N 2.8Å; E4-R62 IonicContact OE1-NH2 3.75Å; E4-R62 PolarHBondContact OE1-NH2 2.82Å; E4-R62 IonicContact OE2-CZ 3.53Å; E4-R62 IonicContact OE2-NH1 3.83Å; E4-R62 IonicContact OE2-NH2 3.76Å; E4-R62 PolarHBondContact OE2-NH2 3.37Å | ||
| 5 | S | 40.5 | Very low | 52.8 | Low | 107 Ų | 107 | 108.5 Ų | 108.5 | 75% | 0.748 | 65% | 0.652 | S | S | * | * | trans | -121.8 | 18.5 | -173.1 | 63.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 6 | S | 38.4 | Very low | 54.5 | Low | 105 Ų | 105 | 111.8 Ų | 111.8 | 73% | 0.734 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -134.1 | 117.9 | -176.4 | -69.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 7 | A | 37.7 | Very low | 56.3 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | trans | 61.5 | 53.2 | 157 | 0 | 0 | 0 | 0 | 0 | 119.6 | R9 | A7-R9 PolarHBondContact O-N 2.97Å; A7-R9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | A | 43.3 | Very low | 57.8 | Low | 69 Ų | 69 | 106.2 Ų | 106.2 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | trans | -80.5 | 67 | 149.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G10 | A8-G10 PolarHBondContact O-N 3.28Š| ||
| 9 | R | 50.5 | Low | 59.5 | Low | 211 Ų | 211 | 103 Ų | 103 | 80% | 0.796 | 61% | 0.605 | S | S | * | * | trans | -80.8 | 109.4 | 177.1 | -81.6 | -174.2 | 173.8 | 175 | -1 | 110.3 | A7 Q33 | A7-R9 PolarHBondContact O-N 2.97Å; A7-R9 VanDerWaalsContact O-N 3.15Å; R9-Q33 PolarHBondContact O-NE2 3.44Å | ||
| 10 | G | 63.8 | Low | 61 | Low | 44 Ų | 44 | 101.8 Ų | 101.8 | 45% | 0.454 | 60% | 0.599 | S | S | . | * | trans | 90.2 | 102.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A8 Q33 | A8-G10 PolarHBondContact O-N 3.28Å; G10-Q33 WeakPolarHBondContact O-CG 3.1Å | ||
| 11 | C | 71 | Confident | 62.2 | Low | 19 Ų | 19 | 97.6 Ų | 97.6 | 13% | 0.128 | 57% | 0.574 | C | S | . | * | P | Polyproline II helix | trans | -96.3 | 148.2 | 145 | 50 | 0 | 0 | 0 | 0 | 107.5 | A30 V31 L32 | C11-A30 HydrophobicContact CB-CB 4.4Å; C11-V31 CarbonylContact C-O 3.25Å; C11-V31 WeakPolarHBondContact CA-O 3.36Å; C11-L32 HydrophobicContact CB-CD2 4.25Å |
| 12 | T | 77.4 | Confident | 64.3 | Low | 103 Ų | 103 | 89.3 Ų | 89.3 | 63% | 0.632 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 116.3 | 171.7 | -54.6 | 0 | 0 | 0 | 0 | 107.8 | A30 V31 | T12-A30 CarbonylContact O-C 3.35Å; T12-A30 VanDerWaalsContact O-CA 3.22Å; T12-A30 WeakPolarHBondContact O-CA 3.38Å; T12-A30 WeakPolarHBondContact O-CB 3.49Å; T12-V31 PolarHBondContact N-O 3.09Å; T12-V31 PolarHBondContact O-N 3.25Å |
| 13 | L | 79.3 | Confident | 66.6 | Low | 58 Ų | 58 | 87.8 Ų | 87.8 | 30% | 0.304 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 141.9 | 170.7 | -57 | -176.8 | 0 | 0 | 0 | 109.4 | A30 V40 | L13-A30 HydrophobicContact CD2-CB 4.08Å; L13-V40 HydrophobicContact CD2-CB 3.76Å; L13-V40 HydrophobicContact CD2-CG1 3.98Å; L13-V40 HydrophobicContact CD2-CG2 3.76Å |
| 14 | L | 76 | Confident | 69 | Low | 92 Ų | 92 | 84.9 Ų | 84.9 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 149.6 | 163.2 | -56.3 | -177.5 | 0 | 0 | 0 | 108.9 | E16 S29 V31 | L14-E16 VanDerWaalsContact C-N 3.29Å; L14-E16 PolarHBondContact O-N 2.89Å; L14-S29 PolarHBondContact N-O 2.67Å; L14-V31 HydrophobicContact CD2-CG2 4.48Å |
| 15 | E | 65.1 | Low | 71.2 | Confident | 198 Ų | 198 | 79.4 Ų | 79.4 | 93% | 0.925 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -20.3 | -161.5 | -62.5 | -170 | 145 | 0 | 0 | 115 | ||
| 16 | E | 80.6 | Confident | 73.6 | Confident | 161 Ų | 161 | 75.8 Ų | 75.8 | 75% | 0.752 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131.7 | -178.5 | -62.8 | -169.2 | 156.5 | 0 | 0 | 112.3 | L14 | L14-E16 VanDerWaalsContact C-N 3.29Å; L14-E16 PolarHBondContact O-N 2.89Å |
| 17 | P | 83.8 | Confident | 76.3 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 139.1 | 171.6 | 30 | -32.9 | 0 | 0 | 0 | 110.9 | T26 Y28 | P17-T26 HydrophobicContact CB-CG2 3.54Å; P17-Y28 HydrophobicContact CB-CD1 4.09Å; P17-Y28 HydrophobicContact CB-CE1 3.65Å; P17-Y28 HydrophobicContact CB-CE2 4.5Å; P17-Y28 HydrophobicContact CG-CE1 4.35Å |
| 18 | L | 83.9 | Confident | 78.9 | Confident | 53 Ų | 53 | 69.2 Ų | 69.2 | 28% | 0.277 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -50 | 176.8 | -59.8 | 178.5 | 0 | 0 | 0 | 111.5 | M27 L91 | L18-M27 HydrophobicContact CD1-CE 4.11Å; L18-M27 HydrophobicContact CD1-CG 4.28Å; L18-M27 HydrophobicContact CD1-SD 4.32Å; L18-M27 PolarHBondContact N-O 3.35Å; L18-L91 HydrophobicContact CB-CD1 4.49Å |
| 19 | L | 89.6 | Confident | 81.2 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 154.9 | -175.1 | -172.7 | 56.1 | 0 | 0 | 0 | 109.6 | L21 M27 P88 L91 | L19-L21 HydrophobicContact CD2-CD2 4Å; L19-L21 HydrophobicContact CG-CD2 4.38Å; L19-M27 PolarHBondContact O-N 2.88Å; L19-P88 HydrophobicContact CB-CG 4.11Å; L19-P88 HydrophobicContact CD2-CB 3.88Å; L19-P88 HydrophobicContact CD2-CG 3.99Å; L19-L91 HydrophobicContact CB-CD1 4.44Å |
| 20 | T | 89.9 | Confident | 83.2 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.1 | 159.6 | -60.5 | 0 | 0 | 0 | 0 | 107.8 | P25 T26 | T20-P25 WeakPolarHBondContact CA-O 3.49Å; T20-T26 WeakPolarHBondContact OG1-CG2 3.49Å; T20-T26 PolarHBondContact OG1-OG1 3.01Å |
| 21 | L | 86.8 | Confident | 84.4 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | trans | -71.8 | 154.7 | -175.5 | -58.4 | -178.9 | 0 | 0 | 0 | 111.1 | L19 S23 G24 P25 F41 F132 | L19-L21 HydrophobicContact CD2-CD2 4Å; L19-L21 HydrophobicContact CG-CD2 4.38Å; L21-S23 PolarHBondContact O-N 3.31Å; L21-G24 PolarHBondContact O-N 3.29Å; L21-P25 HydrophobicContact CB-CG 4.33Å; L21-P25 HydrophobicContact CD1-CG 4.13Å; L21-P25 HydrophobicContact CG-CG 4.49Å; L21-P25 PolarHBondContact N-O 3.06Å; L21-F41 HydrophobicContact CD1-CD1 4.24Å; L21-F41 HydrophobicContact CD1-CE1 4.05Å; L21-F132 HydrophobicContact CD1-CE1 4.23Å; L21-F132 HydrophobicContact CD1-CZ 3.75Å; L21-F132 HydrophobicContact CD2-CE1 4.31Å; L21-F132 HydrophobicContact CD2-CZ 4.4Å | ||
| 22 | P | 83.1 | Confident | 85.3 | Confident | 79 Ų | 79 | 58.4 Ų | 58.4 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.4 | 173.7 | -27.5 | 36.3 | 0 | 0 | 0 | 114.1 | G24 | P22-G24 PolarHBondContact O-N 3.43Š|
| 23 | S | 79.7 | Confident | 85.7 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -2.1 | 175.4 | 70.2 | 0 | 0 | 0 | 0 | 114.8 | L21 P25 E145 | L21-S23 PolarHBondContact O-N 3.31Å; S23-P25 WeakPolarHBondContact OG-CD 3.36Å; S23-E145 WeakPolarHBondContact CB-OE1 3.41Å; S23-E145 PolarHBondContact OG-OE1 3.04Å |
| 24 | G | 85.2 | Confident | 85.9 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 105.2 | -17.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | L21 P22 | L21-G24 PolarHBondContact O-N 3.29Å; P22-G24 PolarHBondContact O-N 3.43Å |
| 25 | P | 89.3 | Confident | 86.4 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.019 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 146.3 | 177 | 30.6 | -33.2 | 0 | 0 | 0 | 112.7 | T20 L21 S23 F41 V42 | T20-P25 WeakPolarHBondContact CA-O 3.49Å; L21-P25 HydrophobicContact CB-CG 4.33Å; L21-P25 HydrophobicContact CD1-CG 4.13Å; L21-P25 HydrophobicContact CG-CG 4.49Å; L21-P25 PolarHBondContact N-O 3.06Å; S23-P25 WeakPolarHBondContact OG-CD 3.36Å; P25-F41 HydrophobicContact CB-CB 4.36Å; P25-V42 WeakPolarHBondContact CA-O 3.44Å |
| 26 | T | 92.3 | Very high | 87.5 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129.2 | 170.9 | -53.7 | 0 | 0 | 0 | 0 | 109.9 | P17 T20 Y28 V42 | P17-T26 HydrophobicContact CB-CG2 3.54Å; T20-T26 WeakPolarHBondContact OG1-CG2 3.49Å; T20-T26 PolarHBondContact OG1-OG1 3.01Å; T26-Y28 HydrophobicContact CG2-CD2 4.35Å; T26-Y28 HydrophobicContact CG2-CE2 3.58Å; T26-V42 PolarHBondContact N-O 3.27Å; T26-V42 VanDerWaalsContact N-O 3.09Å; T26-V42 PolarHBondContact O-N 3.38Å |
| 27 | M | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 135.3 | -175.7 | -172.1 | -175.9 | 174.7 | 0 | 0 | 111.1 | L18 L19 V40 F41 V86 P88 F132 | L18-M27 HydrophobicContact CD1-CE 4.11Å; L18-M27 HydrophobicContact CD1-CG 4.28Å; L18-M27 HydrophobicContact CD1-SD 4.32Å; L18-M27 PolarHBondContact N-O 3.35Å; L19-M27 PolarHBondContact O-N 2.88Å; M27-V40 CarbonylContact C-O 3.55Å; M27-V40 WeakPolarHBondContact CA-O 3.31Å; M27-F41 HydrophobicContact CB-CD1 4.1Å; M27-F41 HydrophobicContact CB-CE1 4.11Å; M27-F41 HydrophobicContact CE-CE1 4.24Å; M27-F41 HydrophobicContact CE-CZ 3.86Å; M27-F41 HydrophobicContact CG-CD1 4.01Å; M27-F41 HydrophobicContact CG-CE1 3.69Å; M27-F41 HydrophobicContact CG-CZ 4.1Å; M27-F41 HydrophobicContact SD-CD1 4.47Å; M27-F41 HydrophobicContact SD-CE1 3.59Å; M27-F41 VanDerWaalsContact SD-CE1 3.59Å; M27-F41 HydrophobicContact SD-CZ 3.85Å; M27-V86 HydrophobicContact CE-CG2 3.78Å; M27-V86 WeakPolarHBondContact CE-O 3.32Å; M27-P88 HydrophobicContact SD-CG 3.64Å; M27-F132 HydrophobicContact CE-CD1 4.06Å; M27-F132 HydrophobicContact CE-CE1 4.38Å; M27-F132 HydrophobicContact SD-CD1 4.05Å; M27-F132 HydrophobicContact SD-CE1 3.82Å |
| 28 | Y | 92.5 | Very high | 88.6 | Confident | 53 Ų | 53 | 49 Ų | 49 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 144.5 | 178.6 | -62.5 | -99.8 | 0 | 0 | 0 | 110.2 | P17 T26 S39 V40 V42 | P17-Y28 HydrophobicContact CB-CD1 4.09Å; P17-Y28 HydrophobicContact CB-CE1 3.65Å; P17-Y28 HydrophobicContact CB-CE2 4.5Å; P17-Y28 HydrophobicContact CG-CE1 4.35Å; T26-Y28 HydrophobicContact CG2-CD2 4.35Å; T26-Y28 HydrophobicContact CG2-CE2 3.58Å; Y28-S39 WeakPolarHBondContact O-CA 3.25Å; Y28-V40 PolarHBondContact N-O 3.41Å; Y28-V40 PolarHBondContact O-N 3.33Å; Y28-V42 HydrophobicContact CD2-CB 4.36Å; Y28-V42 HydrophobicContact CD2-CG2 3.63Å; Y28-V42 HydrophobicContact CE2-CB 4Å; Y28-V42 HydrophobicContact CE2-CG2 3.61Å |
| 29 | S | 92 | Very high | 89.1 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 143.9 | 158.5 | -71.7 | 0 | 0 | 0 | 0 | 109.5 | L14 H85 | L14-S29 PolarHBondContact N-O 2.67Å; S29-H85 PolarHBondContact OG-NE2 2.93Å |
| 30 | A | 91.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 165.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C11 T12 L13 A38 V40 | C11-A30 HydrophobicContact CB-CB 4.4Å; T12-A30 CarbonylContact O-C 3.35Å; T12-A30 VanDerWaalsContact O-CA 3.22Å; T12-A30 WeakPolarHBondContact O-CA 3.38Å; T12-A30 WeakPolarHBondContact O-CB 3.49Å; L13-A30 HydrophobicContact CD2-CB 4.08Å; A30-A38 PolarHBondContact N-O 3.1Å; A30-A38 PolarHBondContact O-N 3.31Å; A30-A38 VanDerWaalsContact O-O 3.08Å; A30-V40 HydrophobicContact CB-CG2 3.56Å |
| 31 | V | 90.9 | Very high | 89.5 | Confident | 52 Ų | 52 | 41 Ų | 41 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.5 | 173.5 | -171 | 0 | 0 | 0 | 0 | 109.4 | C11 T12 L14 | C11-V31 CarbonylContact C-O 3.25Å; C11-V31 WeakPolarHBondContact CA-O 3.36Å; T12-V31 PolarHBondContact N-O 3.09Å; T12-V31 PolarHBondContact O-N 3.25Å; L14-V31 HydrophobicContact CD2-CG2 4.48Å |
| 32 | L | 89.6 | Confident | 89.8 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | trans | -78.8 | 165.2 | 175.9 | -57.5 | 179 | 0 | 0 | 0 | 111.1 | C11 D34 G35 K36 A38 L70 V82 | C11-L32 HydrophobicContact CB-CD2 4.25Å; L32-D34 VanDerWaalsContact CB-OD1 3.31Å; L32-D34 WeakPolarHBondContact CB-OD1 3.37Å; L32-D34 PolarHBondContact O-N 2.6Å; L32-D34 VanDerWaalsContact O-N 3.11Å; L32-G35 PolarHBondContact O-N 3.49Å; L32-K36 HydrophobicContact CD1-CB 4.26Å; L32-K36 PolarHBondContact N-O 3.17Å; L32-A38 HydrophobicContact CD1-CB 4.26Å; L32-A38 HydrophobicContact CD2-CB 3.71Å; L32-A38 HydrophobicContact CG-CB 3.81Å; L32-L70 HydrophobicContact CD1-CD1 3.82Å; L32-L70 HydrophobicContact CD2-CD1 4.42Å; L32-V82 HydrophobicContact CD2-CG1 4.08Å | ||
| 33 | Q | 84.8 | Confident | 90.2 | Very high | 159 Ų | 159 | 38.6 Ų | 38.6 | 74% | 0.743 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.4 | 178.9 | -62.2 | -157.9 | -52.8 | 0 | 0 | 114.2 | R9 G10 G35 | R9-Q33 PolarHBondContact O-NE2 3.44Å; G10-Q33 WeakPolarHBondContact O-CG 3.1Å; Q33-G35 VanDerWaalsContact C-N 3.26Å; Q33-G35 PolarHBondContact O-N 3.32Å |
| 34 | D | 84.2 | Confident | 90.7 | Very high | 95 Ų | 95 | 43.7 Ų | 43.7 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 13.5 | 178.1 | 70.2 | -10 | 0 | 0 | 0 | 113.3 | L32 K36 | L32-D34 VanDerWaalsContact CB-OD1 3.31Å; L32-D34 WeakPolarHBondContact CB-OD1 3.37Å; L32-D34 PolarHBondContact O-N 2.6Å; L32-D34 VanDerWaalsContact O-N 3.11Å; D34-K36 PolarHBondContact O-N 3.33Å; D34-K36 WeakPolarHBondContact OD1-CB 3.14Å; D34-K36 PolarHBondContact OD1-N 3.41Å; D34-K36 WeakPolarHBondContact OD2-CD 2.92Å; D34-K36 IonicContact OD2-NZ 2.71Å; D34-K36 PolarHBondContact OD2-NZ 3.18Å |
| 35 | G | 85.6 | Confident | 90.7 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 58% | 0.577 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 76.5 | -0.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L32 Q33 | L32-G35 PolarHBondContact O-N 3.49Å; Q33-G35 VanDerWaalsContact C-N 3.26Å; Q33-G35 PolarHBondContact O-N 3.32Å |
| 36 | K | 89.3 | Confident | 90.6 | Very high | 117 Ų | 117 | 54.1 Ų | 54.1 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | trans | -75.6 | 143.2 | 178.6 | -66.3 | -177.3 | -175.7 | 64.4 | 0 | 111.5 | L32 D34 | L32-K36 HydrophobicContact CD1-CB 4.26Å; L32-K36 PolarHBondContact N-O 3.17Å; D34-K36 PolarHBondContact O-N 3.33Å; D34-K36 WeakPolarHBondContact OD1-CB 3.14Å; D34-K36 PolarHBondContact OD1-N 3.41Å; D34-K36 WeakPolarHBondContact OD2-CD 2.92Å; D34-K36 IonicContact OD2-NZ 2.71Å; D34-K36 PolarHBondContact OD2-NZ 3.18Å | ||
| 37 | P | 92.4 | Very high | 90.3 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 150.4 | 171.9 | 31.3 | -34.9 | 0 | 0 | 0 | 111 | H85 E135 | P37-H85 HydrophobicContact CB-CB 3.91Å; P37-H85 HydrophobicContact CG-CB 4.18Å; P37-E135 WeakPolarHBondContact CG-OE1 3.4Å |
| 38 | A | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 165 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | A30 L32 L70 V82 T83 | A30-A38 PolarHBondContact N-O 3.1Å; A30-A38 PolarHBondContact O-N 3.31Å; A30-A38 VanDerWaalsContact O-O 3.08Å; L32-A38 HydrophobicContact CD1-CB 4.26Å; L32-A38 HydrophobicContact CD2-CB 3.71Å; L32-A38 HydrophobicContact CG-CB 3.81Å; A38-L70 HydrophobicContact CB-CD1 4.17Å; A38-V82 HydrophobicContact CB-CG1 4.11Å; A38-T83 WeakPolarHBondContact CB-O 3.36Å |
| 39 | S | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.7 | 169.3 | -59.4 | 0 | 0 | 0 | 0 | 110 | Y28 T83 H85 V86 | Y28-S39 WeakPolarHBondContact O-CA 3.25Å; S39-T83 PolarHBondContact N-O 3.18Å; S39-T83 PolarHBondContact O-N 2.9Å; S39-T83 PolarHBondContact O-OG1 3.19Å; S39-H85 PolarHBondContact OG-CD2 2.9Å; S39-V86 PolarHBondContact OG-N 3.09Å; S39-V86 PolarHBondContact OG-O 2.91Å |
| 40 | V | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.2 | -179.5 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | L13 M27 Y28 A30 V42 H80 L81 V82 | L13-V40 HydrophobicContact CD2-CB 3.76Å; L13-V40 HydrophobicContact CD2-CG1 3.98Å; L13-V40 HydrophobicContact CD2-CG2 3.76Å; M27-V40 CarbonylContact C-O 3.55Å; M27-V40 WeakPolarHBondContact CA-O 3.31Å; Y28-V40 PolarHBondContact N-O 3.41Å; Y28-V40 PolarHBondContact O-N 3.33Å; A30-V40 HydrophobicContact CB-CG2 3.56Å; V40-V42 HydrophobicContact CG1-CG2 4.08Å; V40-H80 HydrophobicContact CG1-CB 3.79Å; V40-L81 WeakPolarHBondContact CA-O 3.29Å; V40-V82 HydrophobicContact CG2-CG1 4.15Å; V40-V82 HydrophobicContact CG2-CG2 4.14Å |
| 41 | F | 93.9 | Very high | 89.6 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 4% | 0.039 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 113.2 | 171 | -58.5 | -91.9 | 0 | 0 | 0 | 108.1 | L21 P25 M27 H43 L67 L81 T83 F132 | L21-F41 HydrophobicContact CD1-CD1 4.24Å; L21-F41 HydrophobicContact CD1-CE1 4.05Å; P25-F41 HydrophobicContact CB-CB 4.36Å; M27-F41 HydrophobicContact CB-CD1 4.1Å; M27-F41 HydrophobicContact CB-CE1 4.11Å; M27-F41 HydrophobicContact CE-CE1 4.24Å; M27-F41 HydrophobicContact CE-CZ 3.86Å; M27-F41 HydrophobicContact CG-CD1 4.01Å; M27-F41 HydrophobicContact CG-CE1 3.69Å; M27-F41 HydrophobicContact CG-CZ 4.1Å; M27-F41 HydrophobicContact SD-CD1 4.47Å; M27-F41 HydrophobicContact SD-CE1 3.59Å; M27-F41 VanDerWaalsContact SD-CE1 3.59Å; M27-F41 HydrophobicContact SD-CZ 3.85Å; F41-H43 PolarHBondContact O-CD2 2.77Å; F41-L67 HydrophobicContact CE2-CD2 3.94Å; F41-L67 HydrophobicContact CZ-CD2 4.06Å; F41-L81 HydrophobicContact CB-CB 4.31Å; F41-L81 PolarHBondContact N-O 2.99Å; F41-L81 PolarHBondContact O-N 2.96Å; F41-T83 HydrophobicContact CD2-CG2 4.06Å; F41-T83 HydrophobicContact CE2-CG2 3.83Å; F41-F132 AromaticContact CE1-CE1 3.7Å; F41-F132 HydrophobicContact CE1-CE1 3.7Å; F41-F132 AromaticContact CE1-CZ 3.88Å; F41-F132 HydrophobicContact CE1-CZ 3.88Å; F41-F132 HydrophobicContact CZ-CD1 4.23Å; F41-F132 AromaticContact CZ-CE1 3.83Å; F41-F132 HydrophobicContact CZ-CE1 3.83Å; F41-F132 HydrophobicContact CZ-CZ 4.09Å |
| 42 | V | 92.8 | Very high | 89.6 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 107.3 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | P25 T26 Y28 V40 | P25-V42 WeakPolarHBondContact CA-O 3.44Å; T26-V42 PolarHBondContact N-O 3.27Å; T26-V42 VanDerWaalsContact N-O 3.09Å; T26-V42 PolarHBondContact O-N 3.38Å; Y28-V42 HydrophobicContact CD2-CB 4.36Å; Y28-V42 HydrophobicContact CD2-CG2 3.63Å; Y28-V42 HydrophobicContact CE2-CB 4Å; Y28-V42 HydrophobicContact CE2-CG2 3.61Å; V40-V42 HydrophobicContact CG1-CG2 4.08Å |
| 43 | H | 92 | Very high | 89.6 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 150.2 | 173.5 | -61 | -108.2 | 0 | 0 | 0 | 110.3 | F41 V51 G78 I79 | F41-H43 PolarHBondContact O-CD2 2.77Å; H43-V51 HydrophobicContact CB-CG2 3.53Å; H43-G78 CarbonylContact O-C 3.58Å; H43-G78 WeakPolarHBondContact O-CA 3.43Å; H43-I79 PolarHBondContact N-O 2.86Å; H43-I79 PolarHBondContact O-N 2.89Å |
| 44 | K | 90.1 | Very high | 90 | Very high | 139 Ų | 139 | 62.5 Ų | 62.5 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | trans | -66.2 | 150.8 | 168.4 | -64.3 | 170.3 | -173.4 | 167.8 | 0 | 110.3 | D46 N47 | K44-D46 WeakPolarHBondContact CB-OD1 3.48Å; K44-D46 PolarHBondContact O-N 2.82Å; K44-N47 PolarHBondContact O-N 2.9Å; K44-N47 VanDerWaalsContact O-N 3.09Å | ||
| 45 | R | 85.3 | Confident | 90.5 | Very high | 137 Ų | 137 | 58.3 Ų | 58.3 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -64.1 | -24.8 | -174.9 | -61.4 | -171.6 | -172.2 | 130 | -7.4 | 114.5 | N47 E48 D76 | R45-N47 PolarHBondContact O-N 3.15Å; R45-E48 PolarHBondContact O-N 3.01Å; R45-D76 IonicContact NH2-OD1 3.65Å |
| 46 | D | 86.3 | Confident | 90.9 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 67% | 0.674 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -65.7 | -14.5 | 174.1 | 58 | -10.3 | 0 | 0 | 0 | 113.8 | K44 | K44-D46 WeakPolarHBondContact CB-OD1 3.48Å; K44-D46 PolarHBondContact O-N 2.82Å |
| 47 | N | 86.4 | Confident | 91.2 | Very high | 42 Ų | 42 | 58.5 Ų | 58.5 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -99.3 | 18.6 | 179.6 | -73.1 | -90.8 | 0 | 0 | 0 | 113.5 | K44 R45 E49 K50 V51 | K44-N47 PolarHBondContact O-N 2.9Å; K44-N47 VanDerWaalsContact O-N 3.09Å; R45-N47 PolarHBondContact O-N 3.15Å; N47-E49 PolarHBondContact O-N 3.43Å; N47-K50 WeakPolarHBondContact O-CB 3.48Å; N47-K50 PolarHBondContact O-N 3.26Å; N47-V51 WeakPolarHBondContact O-CG2 3.37Å; N47-V51 PolarHBondContact O-N 3.17Å |
| 48 | E | 87.9 | Confident | 91.3 | Very high | 104 Ų | 104 | 56.4 Ų | 56.4 | 49% | 0.486 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -52.4 | -45.7 | -174.9 | -177.7 | 163.8 | -175.8 | 0 | 0 | 114.2 | R45 K50 V51 N52 I79 | R45-E48 PolarHBondContact O-N 3.01Å; E48-K50 VanDerWaalsContact C-N 3.35Å; E48-K50 PolarHBondContact O-N 3.16Å; E48-V51 PolarHBondContact O-N 2.96Å; E48-N52 WeakPolarHBondContact CG-ND2 3.37Å; E48-N52 WeakPolarHBondContact O-CB 3.21Å; E48-N52 PolarHBondContact O-N 3.08Å; E48-N52 PolarHBondContact O-ND2 2.83Å; E48-I79 VanDerWaalsContact CA-CD1 3.42Å; E48-I79 HydrophobicContact CB-CD1 3.56Å; E48-I79 HydrophobicContact CG-CD1 3.95Å |
| 49 | E | 87.3 | Confident | 91.3 | Very high | 170 Ų | 170 | 60 Ų | 60 | 79% | 0.794 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60 | -44.4 | 177.7 | -172.6 | -177 | -178.6 | 0 | 0 | 111.9 | N47 N52 K53 | N47-E49 PolarHBondContact O-N 3.43Å; E49-N52 PolarHBondContact O-N 3.38Å; E49-K53 WeakPolarHBondContact O-CB 3.42Å; E49-K53 PolarHBondContact O-N 2.85Å |
| 50 | K | 87.4 | Confident | 91.2 | Very high | 76 Ų | 76 | 64.7 Ų | 64.7 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 177.3 | -64.3 | -175.5 | -175.4 | 172.8 | 0 | 111 | N47 E48 N52 K53 T54 | N47-K50 WeakPolarHBondContact O-CB 3.48Å; N47-K50 PolarHBondContact O-N 3.26Å; E48-K50 VanDerWaalsContact C-N 3.35Å; E48-K50 PolarHBondContact O-N 3.16Å; K50-N52 PolarHBondContact O-N 3.48Å; K50-K53 WeakPolarHBondContact O-CB 3.5Å; K50-K53 PolarHBondContact O-N 2.78Å; K50-T54 WeakPolarHBondContact O-CB 3.45Å; K50-T54 PolarHBondContact O-N 3.23Å; K50-T54 PolarHBondContact O-OG1 2.93Å |
| 51 | V | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 178.3 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | H43 N47 E48 K53 T54 A55 I79 L81 | H43-V51 HydrophobicContact CB-CG2 3.53Å; N47-V51 WeakPolarHBondContact O-CG2 3.37Å; N47-V51 PolarHBondContact O-N 3.17Å; E48-V51 PolarHBondContact O-N 2.96Å; V51-K53 VanDerWaalsContact C-N 3.34Å; V51-T54 PolarHBondContact O-N 3.17Å; V51-A55 VanDerWaalsContact O-CB 3.29Å; V51-A55 WeakPolarHBondContact O-CB 3.45Å; V51-A55 PolarHBondContact O-N 2.95Å; V51-I79 HydrophobicContact CB-CG2 4.29Å; V51-I79 HydrophobicContact CG1-CG2 3.79Å; V51-I79 HydrophobicContact CG2-CB 4.48Å; V51-I79 HydrophobicContact CG2-CG2 4.48Å; V51-L81 HydrophobicContact CG1-CB 4.25Å |
| 52 | N | 91 | Very high | 91.2 | Very high | 80 Ų | 80 | 73 Ų | 73 | 43% | 0.428 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 176.3 | -76.2 | -31.8 | 0 | 0 | 0 | 111.9 | E48 E49 K50 K56 | E48-N52 WeakPolarHBondContact CG-ND2 3.37Å; E48-N52 WeakPolarHBondContact O-CB 3.21Å; E48-N52 PolarHBondContact O-N 3.08Å; E48-N52 PolarHBondContact O-ND2 2.83Å; E49-N52 PolarHBondContact O-N 3.38Å; K50-N52 PolarHBondContact O-N 3.48Å; N52-K56 VanDerWaalsContact O-CB 3.31Å; N52-K56 WeakPolarHBondContact O-CB 3.3Å; N52-K56 PolarHBondContact O-N 3.02Å |
| 53 | K | 90.4 | Very high | 91.4 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -50.3 | 171.1 | -171 | -170.9 | 179.7 | -145.4 | 0 | 111.7 | E49 K50 V51 A55 K56 H57 E145 V147 | E49-K53 WeakPolarHBondContact O-CB 3.42Å; E49-K53 PolarHBondContact O-N 2.85Å; K50-K53 WeakPolarHBondContact O-CB 3.5Å; K50-K53 PolarHBondContact O-N 2.78Å; V51-K53 VanDerWaalsContact C-N 3.34Å; K53-A55 PolarHBondContact O-N 3.01Å; K53-K56 WeakPolarHBondContact O-CB 3.35Å; K53-K56 PolarHBondContact O-N 3.11Å; K53-K56 VanDerWaalsContact O-N 3.17Å; K53-H57 PolarHBondContact O-N 3.31Å; K53-E145 PolarHBondContact NZ-O 2.86Å; K53-V147 VanDerWaalsContact CE-O 3.3Å; K53-V147 WeakPolarHBondContact CE-O 3.45Å; K53-V147 PolarHBondContact NZ-O 3.26Å |
| 54 | T | 93.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 77.6 Ų | 77.6 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56 | -47.9 | 175.3 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | K50 V51 K56 H57 L58 L81 M144 E145 | K50-T54 WeakPolarHBondContact O-CB 3.45Å; K50-T54 PolarHBondContact O-N 3.23Å; K50-T54 PolarHBondContact O-OG1 2.93Å; V51-T54 PolarHBondContact O-N 3.17Å; T54-K56 PolarHBondContact O-N 3Å; T54-H57 PolarHBondContact O-N 3.26Å; T54-L58 HydrophobicContact CG2-CD1 3.77Å; T54-L58 HydrophobicContact CG2-CG 4.39Å; T54-L58 VanDerWaalsContact O-CG 3.27Å; T54-L58 WeakPolarHBondContact O-CG 3.4Å; T54-L58 PolarHBondContact O-N 3.41Å; T54-L81 HydrophobicContact CG2-CD2 3.66Å; T54-M144 HydrophobicContact CG2-CB 4.1Å; T54-E145 VanDerWaalsContact OG1-CA 3.23Å; T54-E145 WeakPolarHBondContact OG1-CA 3.34Å; T54-E145 WeakPolarHBondContact OG1-CB 3.17Å; T54-E145 PolarHBondContact OG1-N 2.87Å; T54-E145 PolarHBondContact OG1-OE2 3.03Å |
| 55 | A | 94.2 | Very high | 91.9 | Very high | 6 Ų | 6 | 71.3 Ų | 71.3 | 5% | 0.05 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V51 K53 K59 F69 L81 | V51-A55 VanDerWaalsContact O-CB 3.29Å; V51-A55 WeakPolarHBondContact O-CB 3.45Å; V51-A55 PolarHBondContact O-N 2.95Å; K53-A55 PolarHBondContact O-N 3.01Å; A55-K59 WeakPolarHBondContact O-CB 3.5Å; A55-K59 WeakPolarHBondContact O-CG 3.2Å; A55-K59 PolarHBondContact O-N 2.91Å; A55-K59 VanDerWaalsContact O-N 3.11Å; A55-F69 HydrophobicContact CB-CD2 4.23Å; A55-F69 HydrophobicContact CB-CE2 3.68Å; A55-L81 HydrophobicContact CB-CD1 4.35Å |
| 56 | K | 94.2 | Very high | 92.5 | Very high | 148 Ų | 148 | 65 Ų | 65 | 64% | 0.643 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 173.9 | -176.8 | -176.6 | 178.8 | -175.4 | 0 | 111.4 | N52 K53 T54 T60 | N52-K56 VanDerWaalsContact O-CB 3.31Å; N52-K56 WeakPolarHBondContact O-CB 3.3Å; N52-K56 PolarHBondContact O-N 3.02Å; K53-K56 WeakPolarHBondContact O-CB 3.35Å; K53-K56 PolarHBondContact O-N 3.11Å; K53-K56 VanDerWaalsContact O-N 3.17Å; T54-K56 PolarHBondContact O-N 3Å; K56-T60 WeakPolarHBondContact O-CG2 3.26Å; K56-T60 PolarHBondContact O-N 2.94Å; K56-T60 PolarHBondContact O-OG1 2.8Å |
| 57 | H | 94.9 | Very high | 93 | Very high | 29 Ų | 29 | 59.5 Ų | 59.5 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.5 | -53.4 | 176.2 | -70.8 | 157.3 | 0 | 0 | 0 | 112.2 | K53 T54 K59 T60 L61 M144 V147 | K53-H57 PolarHBondContact O-N 3.31Å; T54-H57 PolarHBondContact O-N 3.26Å; H57-K59 PolarHBondContact O-N 2.97Å; H57-T60 PolarHBondContact O-N 3.17Å; H57-T60 PolarHBondContact O-OG1 3.32Å; H57-L61 HydrophobicContact CB-CD1 4.29Å; H57-L61 WeakPolarHBondContact O-CB 3.45Å; H57-L61 PolarHBondContact O-N 2.77Å; H57-M144 HydrophobicContact CB-CB 3.78Å; H57-M144 HydrophobicContact CB-CG 4.37Å; H57-M144 PolarHBondContact ND1-O 3.08Å; H57-V147 PolarHBondContact CE1-O 3.32Å |
| 58 | L | 94.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -28.4 | -179.4 | -60.9 | 163 | 0 | 0 | 0 | 113.1 | T54 L67 F69 L81 M144 | T54-L58 HydrophobicContact CG2-CD1 3.77Å; T54-L58 HydrophobicContact CG2-CG 4.39Å; T54-L58 VanDerWaalsContact O-CG 3.27Å; T54-L58 WeakPolarHBondContact O-CG 3.4Å; T54-L58 PolarHBondContact O-N 3.41Å; L58-L67 HydrophobicContact CD2-CB 4.19Å; L58-L67 WeakPolarHBondContact CD2-O 3.44Å; L58-F69 HydrophobicContact CB-CB 3.72Å; L58-F69 HydrophobicContact CB-CD2 4.45Å; L58-F69 HydrophobicContact CB-CG 4.5Å; L58-F69 HydrophobicContact CD1-CD2 4.45Å; L58-L81 HydrophobicContact CD1-CD1 4.36Å; L58-L81 HydrophobicContact CD1-CD2 4.18Å; L58-M144 HydrophobicContact CD2-CB 4.41Å; L58-M144 HydrophobicContact CD2-CE 4.21Å; L58-M144 HydrophobicContact CD2-CG 3.43Å; L58-M144 VanDerWaalsContact CD2-CG 3.43Å; L58-M144 HydrophobicContact CG-CB 4.33Å; L58-M144 HydrophobicContact CG-CG 3.82Å |
| 59 | K | 93.9 | Very high | 93.8 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.1 | -33.5 | 173.8 | -77.4 | 176.1 | 179.7 | -174.8 | 0 | 113.9 | A55 H57 R62 F69 | A55-K59 WeakPolarHBondContact O-CB 3.5Å; A55-K59 WeakPolarHBondContact O-CG 3.2Å; A55-K59 PolarHBondContact O-N 2.91Å; A55-K59 VanDerWaalsContact O-N 3.11Å; H57-K59 PolarHBondContact O-N 2.97Å; K59-R62 PolarHBondContact O-NE 3.48Å; K59-F69 HydrophobicContact CD-CD1 4.5Å; K59-F69 HydrophobicContact CD-CE1 4.26Å; K59-F69 HydrophobicContact CD-CZ 4.49Å; K59-F69 HydrophobicContact CG-CD1 3.84Å; K59-F69 HydrophobicContact CG-CE1 4.11Å; K59-F69 HydrophobicContact CG-CG 4.11Å |
| 60 | T | 94.4 | Very high | 94.1 | Very high | 99 Ų | 99 | 55 Ų | 55 | 61% | 0.607 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -96.1 | -38.3 | -173.2 | 51.1 | 0 | 0 | 0 | 0 | 113 | K56 H57 R62 | K56-T60 WeakPolarHBondContact O-CG2 3.26Å; K56-T60 PolarHBondContact O-N 2.94Å; K56-T60 PolarHBondContact O-OG1 2.8Å; H57-T60 PolarHBondContact O-N 3.17Å; H57-T60 PolarHBondContact O-OG1 3.32Å; T60-R62 PolarHBondContact O-N 3.16Å |
| 61 | L | 94.5 | Very high | 94.3 | Very high | 22 Ų | 22 | 52.4 Ų | 52.4 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | trans | -88.7 | 75 | 179.2 | -61.8 | 171.5 | 0 | 0 | 0 | 110.3 | H57 L66 F114 L115 V147 | H57-L61 HydrophobicContact CB-CD1 4.29Å; H57-L61 WeakPolarHBondContact O-CB 3.45Å; H57-L61 PolarHBondContact O-N 2.77Å; L61-L66 HydrophobicContact CB-CD1 3.9Å; L61-L66 VanDerWaalsContact O-CD1 3.29Å; L61-L66 WeakPolarHBondContact O-CD1 3.42Å; L61-F114 HydrophobicContact CB-CE1 4.41Å; L61-F114 HydrophobicContact CD2-CE1 4.38Å; L61-L115 HydrophobicContact CD1-CD1 3.67Å; L61-L115 HydrophobicContact CD2-CD1 4.35Å; L61-V147 HydrophobicContact CD1-CG1 4.36Å | ||
| 62 | R | 93.6 | Very high | 94.3 | Very high | 160 Ų | 160 | 54.5 Ų | 54.5 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | trans | -88 | 109.2 | -179.6 | -58.8 | -171.4 | -175.8 | -156.2 | 0.3 | 111.1 | E4 K59 T60 | E4-R62 IonicContact OE1-NH2 3.75Å; E4-R62 PolarHBondContact OE1-NH2 2.82Å; E4-R62 IonicContact OE2-CZ 3.53Å; E4-R62 IonicContact OE2-NH1 3.83Å; E4-R62 IonicContact OE2-NH2 3.76Å; E4-R62 PolarHBondContact OE2-NH2 3.37Å; K59-R62 PolarHBondContact O-NE 3.48Å; T60-R62 PolarHBondContact O-N 3.16Å | ||
| 63 | H | 95.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 20% | 0.199 | 26% | 0.257 | C | S | . | . | trans | -148.8 | 145.2 | 177.1 | 174.9 | -100.7 | 0 | 0 | 0 | 110.1 | C65 L66 F114 | H63-C65 VanDerWaalsContact C-N 3.27Å; H63-C65 PolarHBondContact ND1-N 3.29Å; H63-C65 PolarHBondContact O-N 3.02Å; H63-C65 VanDerWaalsContact O-N 3.16Å; H63-L66 HydrophobicContact CB-CB 4.44Å; H63-L66 HydrophobicContact CB-CD1 3.82Å; H63-L66 HydrophobicContact CB-CG 3.91Å; H63-L66 PolarHBondContact O-N 2.78Å; H63-F114 HydrophobicContact CB-CD1 3.76Å; H63-F114 HydrophobicContact CB-CD2 4.14Å; H63-F114 HydrophobicContact CB-CE1 3.78Å; H63-F114 HydrophobicContact CB-CE2 4.15Å; H63-F114 HydrophobicContact CB-CG 3.96Å; H63-F114 HydrophobicContact CB-CZ 3.97Å; H63-F114 AromaticContact CD2-CD2 3.71Å; H63-F114 AromaticContact CD2-CG 3.72Å; H63-F114 AromaticContact CG-CG 3.82Å | ||
| 64 | P | 95.1 | Very high | 94 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.7 | -172 | -27.8 | 36.7 | 0 | 0 | 0 | 115.5 | K140 | P64-K140 WeakPolarHBondContact O-CD 3.4Å; P64-K140 VanDerWaalsContact O-CE 3.3Å; P64-K140 WeakPolarHBondContact O-CE 3.49Å; P64-K140 PolarHBondContact O-NZ 2.72Å |
| 65 | C | 97.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 11.4 | -178.3 | -44.5 | 0 | 0 | 0 | 0 | 113.1 | H63 D107 A111 K140 L141 | H63-C65 VanDerWaalsContact C-N 3.27Å; H63-C65 PolarHBondContact ND1-N 3.29Å; H63-C65 PolarHBondContact O-N 3.02Å; H63-C65 VanDerWaalsContact O-N 3.16Å; C65-D107 HydrophobicContact CB-CB 4.15Å; C65-D107 WeakPolarHBondContact CB-O 3.39Å; C65-A111 HydrophobicContact CB-CB 4.01Å; C65-A111 WeakPolarHBondContact O-CB 3.47Å; C65-K140 WeakPolarHBondContact O-CA 3.33Å; C65-L141 PolarHBondContact O-N 3.04Å |
| 66 | L | 97.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -99.1 | 148 | 163.2 | -61.3 | 178.1 | 0 | 0 | 0 | 108.4 | L61 H63 R68 A111 F114 L141 M144 | L61-L66 HydrophobicContact CB-CD1 3.9Å; L61-L66 VanDerWaalsContact O-CD1 3.29Å; L61-L66 WeakPolarHBondContact O-CD1 3.42Å; H63-L66 HydrophobicContact CB-CB 4.44Å; H63-L66 HydrophobicContact CB-CD1 3.82Å; H63-L66 HydrophobicContact CB-CG 3.91Å; H63-L66 PolarHBondContact O-N 2.78Å; L66-R68 PolarHBondContact O-N 3.38Å; L66-A111 HydrophobicContact CD2-CB 3.82Å; L66-A111 HydrophobicContact CG-CB 4.49Å; L66-F114 HydrophobicContact CD1-CD1 3.91Å; L66-F114 HydrophobicContact CD1-CE1 3.77Å; L66-L141 HydrophobicContact CD2-CB 4.1Å; L66-L141 HydrophobicContact CD2-CD2 4.22Å; L66-M144 HydrophobicContact CB-CE 4.25Å; L66-M144 HydrophobicContact CD2-CE 3.7Å; L66-M144 HydrophobicContact CG-CE 4.41Å |
| 67 | L | 96.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 129.2 | 178.3 | -176.4 | 59.1 | 0 | 0 | 0 | 111 | F41 L58 T83 E84 V86 F132 K140 L141 | F41-L67 HydrophobicContact CE2-CD2 3.94Å; F41-L67 HydrophobicContact CZ-CD2 4.06Å; L58-L67 HydrophobicContact CD2-CB 4.19Å; L58-L67 WeakPolarHBondContact CD2-O 3.44Å; L67-T83 HydrophobicContact CD1-CG2 4.44Å; L67-T83 HydrophobicContact CD2-CG2 3.95Å; L67-T83 HydrophobicContact CG-CG2 3.98Å; L67-E84 HydrophobicContact CD1-CG 4.31Å; L67-V86 HydrophobicContact CD1-CB 4.44Å; L67-V86 HydrophobicContact CD1-CG1 3.78Å; L67-V86 HydrophobicContact CD1-CG2 3.75Å; L67-F132 HydrophobicContact CD2-CD2 4.32Å; L67-K140 HydrophobicContact CB-CB 4.37Å; L67-K140 HydrophobicContact CD1-CB 4.39Å; L67-L141 PolarHBondContact N-O 3.1Å |
| 68 | R | 95.5 | Very high | 91 | Very high | 133 Ų | 133 | 58.6 Ų | 58.6 | 50% | 0.502 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 119.5 | -175.8 | -170 | 171.5 | 54.9 | 91.8 | 0.9 | 112.8 | L66 L70 T83 E84 | L66-R68 PolarHBondContact O-N 3.38Å; R68-L70 VanDerWaalsContact NH1-CD2 3.3Å; R68-T83 CarbonylContact O-C 3.48Å; R68-T83 VanDerWaalsContact O-CA 3.24Å; R68-T83 WeakPolarHBondContact O-CA 3.49Å; R68-T83 WeakPolarHBondContact O-CB 3.27Å; R68-E84 HydrophobicContact CB-CB 4.25Å; R68-E84 HydrophobicContact CB-CG 3.94Å; R68-E84 VanDerWaalsContact CB-OE1 3.3Å; R68-E84 WeakPolarHBondContact CB-OE1 3.38Å; R68-E84 WeakPolarHBondContact CB-OE2 3.32Å; R68-E84 IonicContact CZ-OE2 2.67Å; R68-E84 PolarHBondContact N-OE1 3.47Å; R68-E84 IonicContact NE-OE2 3.68Å; R68-E84 PolarHBondContact NE-OE2 3.44Å; R68-E84 IonicContact NH2-OE2 3.88Å; R68-E84 PolarHBondContact NH2-OE2 3.38Å; R68-E84 VanDerWaalsContact NH2-OE2 3.16Å; R68-E84 PolarHBondContact O-N 2.85Å |
| 69 | F | 95.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 58.2 Ų | 58.2 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 142.1 | 170 | -179.1 | -88.4 | 0 | 0 | 0 | 112.5 | A55 L58 K59 S71 C72 L81 | A55-F69 HydrophobicContact CB-CD2 4.23Å; A55-F69 HydrophobicContact CB-CE2 3.68Å; L58-F69 HydrophobicContact CB-CB 3.72Å; L58-F69 HydrophobicContact CB-CD2 4.45Å; L58-F69 HydrophobicContact CB-CG 4.5Å; L58-F69 HydrophobicContact CD1-CD2 4.45Å; K59-F69 HydrophobicContact CD-CD1 4.5Å; K59-F69 HydrophobicContact CD-CE1 4.26Å; K59-F69 HydrophobicContact CD-CZ 4.49Å; K59-F69 HydrophobicContact CG-CD1 3.84Å; K59-F69 HydrophobicContact CG-CE1 4.11Å; K59-F69 HydrophobicContact CG-CG 4.11Å; F69-S71 WeakPolarHBondContact CE2-O 3.33Å; F69-C72 HydrophobicContact CE2-CB 4.05Å; F69-C72 HydrophobicContact CZ-CB 4.12Å; F69-L81 HydrophobicContact CD2-CD1 3.72Å; F69-L81 HydrophobicContact CE2-CD1 3.65Å |
| 70 | L | 94.2 | Very high | 90.8 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 30% | 0.298 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -55.7 | 166.6 | -59.8 | -177.3 | 0 | 0 | 0 | 111.7 | L32 A38 R68 V82 T83 | L32-L70 HydrophobicContact CD1-CD1 3.82Å; L32-L70 HydrophobicContact CD2-CD1 4.42Å; A38-L70 HydrophobicContact CB-CD1 4.17Å; R68-L70 VanDerWaalsContact NH1-CD2 3.3Å; L70-V82 HydrophobicContact CB-CB 4.46Å; L70-V82 HydrophobicContact CB-CG1 4.29Å; L70-V82 WeakPolarHBondContact CB-O 3.47Å; L70-V82 HydrophobicContact CD1-CG1 4.28Å; L70-V82 PolarHBondContact N-O 2.94Å; L70-T83 VanDerWaalsContact CD1-O 3.24Å; L70-T83 WeakPolarHBondContact CD1-O 3.23Å |
| 71 | S | 92.1 | Very high | 90.8 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 168.6 | -179.3 | 71.4 | 0 | 0 | 0 | 0 | 112.4 | F69 V82 | F69-S71 WeakPolarHBondContact CE2-O 3.33Å; S71-V82 PolarHBondContact N-O 3.21Å; S71-V82 PolarHBondContact O-N 2.93Å; S71-V82 WeakPolarHBondContact OG-CB 3.46Å; S71-V82 WeakPolarHBondContact OG-CG2 3.39Å |
| 72 | C | 91.2 | Very high | 90.8 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.7 | 168.6 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | F69 H80 | F69-C72 HydrophobicContact CE2-CB 4.05Å; F69-C72 HydrophobicContact CZ-CB 4.12Å; C72-H80 WeakPolarHBondContact CA-O 3.48Å |
| 73 | S | 88.8 | Confident | 90.9 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 145.1 | 178.8 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | Q75 H80 | S73-Q75 PolarHBondContact OG-NE2 3.31Å; S73-H80 PolarHBondContact N-O 2.81Å; S73-H80 PolarHBondContact O-N 3.47Å |
| 74 | V | 86.3 | Confident | 90.8 | Very high | 89 Ų | 89 | 41.3 Ų | 41.3 | 54% | 0.539 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 133.2 | 169.4 | -173 | 0 | 0 | 0 | 0 | 108.4 | I79 | V74-I79 HydrophobicContact CG2-CG1 4.32Å; V74-I79 HydrophobicContact CG2-CG2 4.38Å |
| 75 | Q | 81.9 | Confident | 90.8 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 30% | 0.304 | 21% | 0.214 | S | C | . | . | trans | -136.2 | 177.3 | -178.4 | -57.4 | -171.2 | 22.4 | 0 | 0 | 110.7 | S73 G77 G78 H80 | S73-Q75 PolarHBondContact OG-NE2 3.31Å; Q75-G77 PolarHBondContact O-N 3.09Å; Q75-G78 PolarHBondContact N-O 3.07Å; Q75-G78 PolarHBondContact O-N 3.32Å; Q75-H80 PolarHBondContact NE2-ND1 3.08Å; Q75-H80 PolarHBondContact OE1-CE1 2.83Å; Q75-H80 PolarHBondContact OE1-ND1 2.99Å | ||
| 76 | D | 68.2 | Low | 90.8 | Very high | 169 Ų | 169 | 38.4 Ų | 38.4 | 90% | 0.904 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -76.9 | 69.2 | -176.5 | -80 | -44.7 | 0 | 0 | 0 | 113.3 | R45 | R45-D76 IonicContact NH2-OD1 3.65Š|
| 77 | G | 76.1 | Confident | 90.7 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 60% | 0.598 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 170.2 | -32.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q75 | Q75-G77 PolarHBondContact O-N 3.09Š|
| 78 | G | 87.4 | Confident | 90.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -176.9 | -159.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H43 Q75 | H43-G78 CarbonylContact O-C 3.58Å; H43-G78 WeakPolarHBondContact O-CA 3.43Å; Q75-G78 PolarHBondContact N-O 3.07Å; Q75-G78 PolarHBondContact O-N 3.32Å |
| 79 | I | 91.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.4 | 176.1 | -48.4 | 176.9 | 0 | 0 | 0 | 107.1 | H43 E48 V51 V74 | H43-I79 PolarHBondContact N-O 2.86Å; H43-I79 PolarHBondContact O-N 2.89Å; E48-I79 VanDerWaalsContact CA-CD1 3.42Å; E48-I79 HydrophobicContact CB-CD1 3.56Å; E48-I79 HydrophobicContact CG-CD1 3.95Å; V51-I79 HydrophobicContact CB-CG2 4.29Å; V51-I79 HydrophobicContact CG1-CG2 3.79Å; V51-I79 HydrophobicContact CG2-CB 4.48Å; V51-I79 HydrophobicContact CG2-CG2 4.48Å; V74-I79 HydrophobicContact CG2-CG1 4.32Å; V74-I79 HydrophobicContact CG2-CG2 4.38Å |
| 80 | H | 92.8 | Very high | 90.6 | Very high | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.065 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 103.5 | -173 | -65.4 | -168.1 | 0 | 0 | 0 | 108.6 | V40 C72 S73 Q75 | V40-H80 HydrophobicContact CG1-CB 3.79Å; C72-H80 WeakPolarHBondContact CA-O 3.48Å; S73-H80 PolarHBondContact N-O 2.81Å; S73-H80 PolarHBondContact O-N 3.47Å; Q75-H80 PolarHBondContact NE2-ND1 3.08Å; Q75-H80 PolarHBondContact OE1-CE1 2.83Å; Q75-H80 PolarHBondContact OE1-ND1 2.99Å |
| 81 | L | 93.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 115.5 | 171.4 | 174.3 | 64.7 | 0 | 0 | 0 | 108.4 | V40 F41 V51 T54 A55 L58 F69 | V40-L81 WeakPolarHBondContact CA-O 3.29Å; F41-L81 HydrophobicContact CB-CB 4.31Å; F41-L81 PolarHBondContact N-O 2.99Å; F41-L81 PolarHBondContact O-N 2.96Å; V51-L81 HydrophobicContact CG1-CB 4.25Å; T54-L81 HydrophobicContact CG2-CD2 3.66Å; A55-L81 HydrophobicContact CB-CD1 4.35Å; L58-L81 HydrophobicContact CD1-CD1 4.36Å; L58-L81 HydrophobicContact CD1-CD2 4.18Å; F69-L81 HydrophobicContact CD2-CD1 3.72Å; F69-L81 HydrophobicContact CE2-CD1 3.65Å |
| 82 | V | 94.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.4 | -174.2 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | L32 A38 V40 L70 S71 | L32-V82 HydrophobicContact CD2-CG1 4.08Å; A38-V82 HydrophobicContact CB-CG1 4.11Å; V40-V82 HydrophobicContact CG2-CG1 4.15Å; V40-V82 HydrophobicContact CG2-CG2 4.14Å; L70-V82 HydrophobicContact CB-CB 4.46Å; L70-V82 HydrophobicContact CB-CG1 4.29Å; L70-V82 WeakPolarHBondContact CB-O 3.47Å; L70-V82 HydrophobicContact CD1-CG1 4.28Å; L70-V82 PolarHBondContact N-O 2.94Å; S71-V82 PolarHBondContact N-O 3.21Å; S71-V82 PolarHBondContact O-N 2.93Å; S71-V82 WeakPolarHBondContact OG-CB 3.46Å; S71-V82 WeakPolarHBondContact OG-CG2 3.39Å |
| 83 | T | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 173.4 | -178.8 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | A38 S39 F41 L67 R68 L70 | A38-T83 WeakPolarHBondContact CB-O 3.36Å; S39-T83 PolarHBondContact N-O 3.18Å; S39-T83 PolarHBondContact O-N 2.9Å; S39-T83 PolarHBondContact O-OG1 3.19Å; F41-T83 HydrophobicContact CD2-CG2 4.06Å; F41-T83 HydrophobicContact CE2-CG2 3.83Å; L67-T83 HydrophobicContact CD1-CG2 4.44Å; L67-T83 HydrophobicContact CD2-CG2 3.95Å; L67-T83 HydrophobicContact CG-CG2 3.98Å; R68-T83 CarbonylContact O-C 3.48Å; R68-T83 VanDerWaalsContact O-CA 3.24Å; R68-T83 WeakPolarHBondContact O-CA 3.49Å; R68-T83 WeakPolarHBondContact O-CB 3.27Å; L70-T83 VanDerWaalsContact CD1-O 3.24Å; L70-T83 WeakPolarHBondContact CD1-O 3.23Å |
| 84 | E | 94.9 | Very high | 90.8 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 154.3 | 163.5 | 73.4 | -168.3 | 158.7 | 0 | 0 | 111.9 | L67 R68 V86 K140 | L67-E84 HydrophobicContact CD1-CG 4.31Å; R68-E84 HydrophobicContact CB-CB 4.25Å; R68-E84 HydrophobicContact CB-CG 3.94Å; R68-E84 VanDerWaalsContact CB-OE1 3.3Å; R68-E84 WeakPolarHBondContact CB-OE1 3.38Å; R68-E84 WeakPolarHBondContact CB-OE2 3.32Å; R68-E84 IonicContact CZ-OE2 2.67Å; R68-E84 PolarHBondContact N-OE1 3.47Å; R68-E84 IonicContact NE-OE2 3.68Å; R68-E84 PolarHBondContact NE-OE2 3.44Å; R68-E84 IonicContact NH2-OE2 3.88Å; R68-E84 PolarHBondContact NH2-OE2 3.38Å; R68-E84 VanDerWaalsContact NH2-OE2 3.16Å; R68-E84 PolarHBondContact O-N 2.85Å; E84-V86 HydrophobicContact CG-CG1 4.02Å; E84-V86 PolarHBondContact O-N 3.08Å; E84-K140 IonicContact OE1-NZ 1.78Å; E84-K140 PolarHBondContact OE1-NZ 2.83Å; E84-K140 IonicContact OE2-NZ 3.19Å |
| 85 | H | 95.6 | Very high | 91 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 19% | 0.194 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -67.8 | 121.4 | -179.2 | -169.7 | -135.8 | 0 | 0 | 0 | 110.7 | S29 P37 S39 E135 | S29-H85 PolarHBondContact OG-NE2 2.93Å; P37-H85 HydrophobicContact CB-CB 3.91Å; P37-H85 HydrophobicContact CG-CB 4.18Å; S39-H85 PolarHBondContact OG-CD2 2.9Å; H85-E135 HydrophobicContact CB-CG 4.38Å; H85-E135 IonicContact CE1-OE1 2.87Å; H85-E135 IonicContact CG-OE1 2.91Å; H85-E135 IonicContact ND1-OE1 2.75Å; H85-E135 PolarHBondContact ND1-OE1 2.77Å |
| 86 | V | 96.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 157.4 | 178.2 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | M27 S39 L67 E84 F132 V133 K140 | M27-V86 HydrophobicContact CE-CG2 3.78Å; M27-V86 WeakPolarHBondContact CE-O 3.32Å; S39-V86 PolarHBondContact OG-N 3.09Å; S39-V86 PolarHBondContact OG-O 2.91Å; L67-V86 HydrophobicContact CD1-CB 4.44Å; L67-V86 HydrophobicContact CD1-CG1 3.78Å; L67-V86 HydrophobicContact CD1-CG2 3.75Å; E84-V86 HydrophobicContact CG-CG1 4.02Å; E84-V86 PolarHBondContact O-N 3.08Å; V86-F132 HydrophobicContact CB-CB 3.79Å; V86-F132 HydrophobicContact CG1-CB 4.42Å; V86-F132 HydrophobicContact CG2-CB 3.62Å; V86-F132 HydrophobicContact CG2-CD1 4.12Å; V86-F132 HydrophobicContact CG2-CG 4.02Å; V86-V133 CarbonylContact C-O 3.54Å; V86-V133 WeakPolarHBondContact CA-O 3.46Å; V86-V133 WeakPolarHBondContact CB-O 3.43Å; V86-K140 HydrophobicContact CG1-CG 4.16Å |
| 87 | Q | 95.2 | Very high | 92.7 | Very high | 87 Ų | 87 | 36.8 Ų | 36.8 | 41% | 0.407 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 149.9 | 170.3 | -61.6 | -178.6 | -89 | 0 | 0 | 110.2 | L92 F132 V133 | Q87-L92 HydrophobicContact CB-CD1 3.94Å; Q87-L92 HydrophobicContact CB-CG 4.45Å; Q87-F132 CarbonylContact O-C 3.56Å; Q87-F132 VanDerWaalsContact O-CA 3.22Å; Q87-F132 WeakPolarHBondContact O-CA 3.29Å; Q87-F132 WeakPolarHBondContact O-CB 3.5Å; Q87-V133 PolarHBondContact N-O 3.31Å; Q87-V133 PolarHBondContact O-N 3.39Å |
| 88 | P | 95.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 136.5 | 172 | -18.8 | 29.4 | 0 | 0 | 0 | 111.5 | L19 M27 E90 L91 F132 | L19-P88 HydrophobicContact CB-CG 4.11Å; L19-P88 HydrophobicContact CD2-CB 3.88Å; L19-P88 HydrophobicContact CD2-CG 3.99Å; M27-P88 HydrophobicContact SD-CG 3.64Å; P88-E90 VanDerWaalsContact C-N 3.27Å; P88-E90 PolarHBondContact O-N 3.46Å; P88-L91 HydrophobicContact CB-CD1 4.43Å; P88-L91 HydrophobicContact CB-CG 4.25Å; P88-L91 HydrophobicContact CG-CD1 3.99Å; P88-L91 HydrophobicContact CG-CG 4.34Å; P88-L91 PolarHBondContact O-N 3.07Å; P88-F132 HydrophobicContact CB-CD1 4.5Å |
| 89 | L | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -57.4 | -41.2 | 178.6 | 173.9 | 59.6 | 0 | 0 | 0 | 112.2 | L91 L92 L93 L96 L128 V131 V133 W139 | L89-L91 PolarHBondContact O-N 2.87Å; L89-L91 VanDerWaalsContact O-N 3.11Å; L89-L92 PolarHBondContact O-N 2.93Å; L89-L93 HydrophobicContact CD1-CD2 3.72Å; L89-L93 HydrophobicContact CD1-CG 4.33Å; L89-L93 HydrophobicContact CD2-CD2 4.36Å; L89-L93 HydrophobicContact CG-CD2 3.89Å; L89-L93 HydrophobicContact CG-CG 4.27Å; L89-L93 PolarHBondContact O-N 3.24Å; L89-L96 HydrophobicContact CD1-CD1 3.67Å; L89-L128 HydrophobicContact CD2-CD2 3.92Å; L89-V131 HydrophobicContact CB-CB 4.2Å; L89-V131 HydrophobicContact CB-CG1 4.25Å; L89-V131 VanDerWaalsContact CB-O 3.23Å; L89-V131 WeakPolarHBondContact CB-O 3.29Å; L89-V131 HydrophobicContact CD2-CB 3.92Å; L89-V131 HydrophobicContact CD2-CG1 3.86Å; L89-V131 PolarHBondContact N-O 2.75Å; L89-V133 HydrophobicContact CB-CG2 4.47Å; L89-V133 HydrophobicContact CD1-CG2 4Å; L89-W139 HydrophobicContact CD1-CD2 4.27Å; L89-W139 HydrophobicContact CD1-CH2 3.84Å; L89-W139 HydrophobicContact CD1-CZ2 3.33Å; L89-W139 HydrophobicContact CD1-CZ3 4.48Å; L89-W139 HydrophobicContact CD2-CD2 4.25Å; L89-W139 HydrophobicContact CD2-CE3 3.9Å; L89-W139 HydrophobicContact CD2-CH2 3.57Å; L89-W139 HydrophobicContact CD2-CZ2 3.94Å; L89-W139 HydrophobicContact CD2-CZ3 3.55Å; L89-W139 HydrophobicContact CG-CH2 4.35Å; L89-W139 HydrophobicContact CG-CZ2 4.29Å |
| 90 | E | 93 | Very high | 93.9 | Very high | 81 Ų | 81 | 37.1 Ų | 37.1 | 38% | 0.379 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -58.1 | -26 | -177.7 | -63.5 | 176.6 | 166.3 | 0 | 0 | 113.6 | P88 L92 L128 S129 | P88-E90 VanDerWaalsContact C-N 3.27Å; P88-E90 PolarHBondContact O-N 3.46Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L128 HydrophobicContact CG-CB 3.86Å; E90-S129 WeakPolarHBondContact OE1-CA 3.12Å; E90-S129 VanDerWaalsContact OE1-CB 3.31Å; E90-S129 WeakPolarHBondContact OE1-CB 3.21Å; E90-S129 PolarHBondContact OE1-N 2.87Å |
| 91 | L | 93.3 | Very high | 94.1 | Very high | 92 Ų | 92 | 36.6 Ų | 36.6 | 48% | 0.482 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -84.6 | -7 | 176.7 | -59.9 | -175.8 | 0 | 0 | 0 | 113.6 | L18 L19 P88 L89 | L18-L91 HydrophobicContact CB-CD1 4.49Å; L19-L91 HydrophobicContact CB-CD1 4.44Å; P88-L91 HydrophobicContact CB-CD1 4.43Å; P88-L91 HydrophobicContact CB-CG 4.25Å; P88-L91 HydrophobicContact CG-CD1 3.99Å; P88-L91 HydrophobicContact CG-CG 4.34Å; P88-L91 PolarHBondContact O-N 3.07Å; L89-L91 PolarHBondContact O-N 2.87Å; L89-L91 VanDerWaalsContact O-N 3.11Å |
| 92 | L | 94.4 | Very high | 94.1 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -14.8 | -173.4 | -65.1 | 179.5 | 0 | 0 | 0 | 114.2 | Q87 L89 E90 D94 S95 L96 V133 | Q87-L92 HydrophobicContact CB-CD1 3.94Å; Q87-L92 HydrophobicContact CB-CG 4.45Å; L89-L92 PolarHBondContact O-N 2.93Å; E90-L92 VanDerWaalsContact C-N 3.34Å; L92-D94 VanDerWaalsContact C-N 3.29Å; L92-D94 PolarHBondContact O-N 3.16Å; L92-D94 VanDerWaalsContact O-N 3.17Å; L92-S95 WeakPolarHBondContact O-CA 3.11Å; L92-S95 PolarHBondContact O-N 3.05Å; L92-S95 PolarHBondContact O-OG 2.85Å; L92-L96 HydrophobicContact CB-CD1 4.28Å; L92-L96 HydrophobicContact CB-CG 4.21Å; L92-L96 PolarHBondContact O-N 3.13Å; L92-L96 VanDerWaalsContact O-N 3.11Å; L92-V133 HydrophobicContact CD1-CB 3.73Å; L92-V133 HydrophobicContact CD1-CG1 4.25Å; L92-V133 HydrophobicContact CD1-CG2 3.8Å |
| 93 | L | 93.3 | Very high | 94.2 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -42 | -173.8 | -72 | 173.7 | 0 | 0 | 0 | 113.9 | L89 S95 L128 L202 L205 | L89-L93 HydrophobicContact CD1-CD2 3.72Å; L89-L93 HydrophobicContact CD1-CG 4.33Å; L89-L93 HydrophobicContact CD2-CD2 4.36Å; L89-L93 HydrophobicContact CG-CD2 3.89Å; L89-L93 HydrophobicContact CG-CG 4.27Å; L89-L93 PolarHBondContact O-N 3.24Å; L93-S95 PolarHBondContact O-N 2.68Å; L93-L128 HydrophobicContact CD1-CD1 4.29Å; L93-L202 HydrophobicContact CD2-CD2 3.65Å; L93-L205 HydrophobicContact CB-CD1 4.33Å; L93-L205 HydrophobicContact CD2-CD1 4.1Å |
| 94 | D | 90.3 | Very high | 94.3 | Very high | 172 Ų | 172 | 36.3 Ų | 36.3 | 92% | 0.92 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -7.8 | 178.4 | -68.2 | -16.7 | 0 | 0 | 0 | 114.2 | L92 | L92-D94 VanDerWaalsContact C-N 3.29Å; L92-D94 PolarHBondContact O-N 3.16Å; L92-D94 VanDerWaalsContact O-N 3.17Å |
| 95 | S | 90.6 | Very high | 94.4 | Very high | 86 Ų | 86 | 35.2 Ų | 35.2 | 60% | 0.601 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | -16.8 | -174.2 | 70.1 | 0 | 0 | 0 | 0 | 115 | L92 L93 | L92-S95 WeakPolarHBondContact O-CA 3.11Å; L92-S95 PolarHBondContact O-N 3.05Å; L92-S95 PolarHBondContact O-OG 2.85Å; L93-S95 PolarHBondContact O-N 2.68Å |
| 96 | L | 93 | Very high | 94.5 | Very high | 25 Ų | 25 | 35 Ų | 35 | 13% | 0.131 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -75.8 | 143.3 | 178.3 | -70.1 | 172.1 | 0 | 0 | 0 | 110.8 | L89 L92 E100 I101 W139 | L89-L96 HydrophobicContact CD1-CD1 3.67Å; L92-L96 HydrophobicContact CB-CD1 4.28Å; L92-L96 HydrophobicContact CB-CG 4.21Å; L92-L96 PolarHBondContact O-N 3.13Å; L92-L96 VanDerWaalsContact O-N 3.11Å; L96-E100 HydrophobicContact CB-CB 4.32Å; L96-E100 HydrophobicContact CD2-CB 4.11Å; L96-I101 HydrophobicContact CB-CD1 4.36Å; L96-I101 HydrophobicContact CB-CG1 3.92Å; L96-I101 HydrophobicContact CD1-CG1 4.35Å; L96-W139 HydrophobicContact CD1-CZ2 3.99Å |
| 97 | S | 92.4 | Very high | 94.6 | Very high | 21 Ų | 21 | 35 Ų | 35 | 15% | 0.147 | 19% | 0.188 | C | C | . | . | trans | -74.6 | 156.4 | 170.9 | 96.3 | 0 | 0 | 0 | 0 | 111.5 | E99 E100 I101 | S97-E99 VanDerWaalsContact CB-OE2 3.26Å; S97-E99 WeakPolarHBondContact CB-OE2 3.48Å; S97-E99 PolarHBondContact O-N 2.91Å; S97-E99 PolarHBondContact OG-N 3.5Å; S97-E99 PolarHBondContact OG-OE2 3.39Å; S97-E100 PolarHBondContact N-OE2 3.18Å; S97-E100 WeakPolarHBondContact O-CA 3.19Å; S97-E100 WeakPolarHBondContact O-CB 3.04Å; S97-E100 PolarHBondContact O-N 2.67Å; S97-E100 PolarHBondContact OG-N 3.42Å; S97-I101 PolarHBondContact O-N 2.87Å | ||
| 98 | P | 93.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 30.8 Ų | 30.8 | 25% | 0.247 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.7 | -32.3 | 175.8 | -29.4 | 38.6 | 0 | 0 | 0 | 114 | C102 L206 Y209 | P98-C102 VanDerWaalsContact O-CB 3.32Å; P98-C102 WeakPolarHBondContact O-CB 3.05Å; P98-C102 PolarHBondContact O-N 3.14Å; P98-L206 HydrophobicContact CB-CD2 3.73Å; P98-L206 WeakPolarHBondContact O-CD2 3.2Å; P98-Y209 VanDerWaalsContact CB-CB 3.45Å; P98-Y209 HydrophobicContact CB-CD1 3.68Å; P98-Y209 HydrophobicContact CB-CD2 4.36Å; P98-Y209 HydrophobicContact CB-CG 3.57Å; P98-Y209 HydrophobicContact CG-CG 4.26Å |
| 99 | E | 93.2 | Very high | 94.9 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 2% | 0.023 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 172.1 | -59.8 | 88 | 162.9 | 0 | 0 | 112.6 | S97 S103 Y209 F250 P283 L286 | S97-E99 VanDerWaalsContact CB-OE2 3.26Å; S97-E99 WeakPolarHBondContact CB-OE2 3.48Å; S97-E99 PolarHBondContact O-N 2.91Å; S97-E99 PolarHBondContact OG-N 3.5Å; S97-E99 PolarHBondContact OG-OE2 3.39Å; E99-S103 VanDerWaalsContact O-CB 3.29Å; E99-S103 WeakPolarHBondContact O-CB 3.43Å; E99-S103 PolarHBondContact O-N 3.15Å; E99-Y209 HydrophobicContact CG-CE1 4.16Å; E99-Y209 HydrophobicContact CG-CE2 3.89Å; E99-Y209 WeakPolarHBondContact CG-OH 3.45Å; E99-Y209 WeakPolarHBondContact OE1-CE2 3.44Å; E99-F250 HydrophobicContact CB-CB 4.2Å; E99-F250 HydrophobicContact CB-CD1 3.79Å; E99-F250 HydrophobicContact CB-CE1 4.39Å; E99-F250 HydrophobicContact CB-CG 4.08Å; E99-F250 HydrophobicContact CG-CB 4.36Å; E99-P283 WeakPolarHBondContact OE1-CD 3.33Å; E99-P283 VanDerWaalsContact OE1-CG 3.28Å; E99-P283 WeakPolarHBondContact OE1-CG 3.42Å; E99-L286 HydrophobicContact CB-CD1 4.46Å; E99-L286 HydrophobicContact CB-CD2 3.53Å; E99-L286 HydrophobicContact CG-CD2 3.68Å |
| 100 | E | 94.3 | Very high | 94.9 | Very high | 24 Ų | 24 | 32.8 Ų | 32.8 | 11% | 0.112 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.3 | -38.7 | 177.3 | -57 | -167 | 100.8 | 0 | 0 | 111.8 | L96 S97 S103 G104 L286 R290 | L96-E100 HydrophobicContact CB-CB 4.32Å; L96-E100 HydrophobicContact CD2-CB 4.11Å; S97-E100 PolarHBondContact N-OE2 3.18Å; S97-E100 WeakPolarHBondContact O-CA 3.19Å; S97-E100 WeakPolarHBondContact O-CB 3.04Å; S97-E100 PolarHBondContact O-N 2.67Å; S97-E100 PolarHBondContact OG-N 3.42Å; E100-S103 PolarHBondContact O-N 2.99Å; E100-G104 WeakPolarHBondContact O-CA 3.4Å; E100-G104 PolarHBondContact O-N 3.29Å; E100-L286 HydrophobicContact CG-CD1 3.32Å; E100-R290 VanDerWaalsContact OE1-CD 3.23Å; E100-R290 WeakPolarHBondContact OE1-CD 3.31Å; E100-R290 WeakPolarHBondContact OE1-CG 3.3Å; E100-R290 IonicContact OE1-CZ 3.92Å; E100-R290 IonicContact OE1-NE 3.65Å; E100-R290 IonicContact OE1-NH1 3.23Å; E100-R290 PolarHBondContact OE1-NH1 3.34Å |
| 101 | I | 95.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 172.9 | -64 | 171.8 | 0 | 0 | 0 | 109.8 | L96 S97 G104 I105 W139 L202 L205 L206 | L96-I101 HydrophobicContact CB-CD1 4.36Å; L96-I101 HydrophobicContact CB-CG1 3.92Å; L96-I101 HydrophobicContact CD1-CG1 4.35Å; S97-I101 PolarHBondContact O-N 2.87Å; I101-G104 PolarHBondContact O-N 2.85Å; I101-I105 HydrophobicContact CG2-CD1 3.99Å; I101-I105 WeakPolarHBondContact O-CD1 3.22Å; I101-I105 VanDerWaalsContact O-CG1 3.26Å; I101-I105 WeakPolarHBondContact O-CG1 3.38Å; I101-I105 PolarHBondContact O-N 2.84Å; I101-W139 HydrophobicContact CB-CZ2 4.49Å; I101-W139 HydrophobicContact CG1-CZ2 4.43Å; I101-W139 HydrophobicContact CG2-CH2 4.23Å; I101-L202 HydrophobicContact CG2-CB 4.37Å; I101-L202 HydrophobicContact CG2-CD2 4.38Å; I101-L205 HydrophobicContact CD1-CB 3.99Å; I101-L205 HydrophobicContact CD1-CD1 4.16Å; I101-L206 HydrophobicContact CB-CD2 3.93Å; I101-L206 HydrophobicContact CG2-CD1 4.39Å; I101-L206 HydrophobicContact CG2-CD2 3.84Å; I101-L206 HydrophobicContact CG2-CG 4.32Å |
| 102 | C | 95.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | P98 G104 Y106 F245 N248 | P98-C102 VanDerWaalsContact O-CB 3.32Å; P98-C102 WeakPolarHBondContact O-CB 3.05Å; P98-C102 PolarHBondContact O-N 3.14Å; C102-G104 VanDerWaalsContact C-N 3.31Å; C102-G104 PolarHBondContact O-N 3.33Å; C102-Y106 PolarHBondContact O-N 3.19Å; C102-Y106 VanDerWaalsContact O-N 3.13Å; C102-F245 HydrophobicContact CB-CZ 4.46Å; C102-N248 PolarHBondContact SG-ND2 3.03Å |
| 103 | S | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.5 | -34.8 | 175.8 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | E99 E100 Y106 D107 | E99-S103 VanDerWaalsContact O-CB 3.29Å; E99-S103 WeakPolarHBondContact O-CB 3.43Å; E99-S103 PolarHBondContact O-N 3.15Å; E100-S103 PolarHBondContact O-N 2.99Å; S103-Y106 WeakPolarHBondContact O-CB 3.39Å; S103-Y106 PolarHBondContact O-N 2.99Å; S103-D107 PolarHBondContact O-N 3.03Å |
| 104 | G | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.4 | -43.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | E100 I101 C102 Y106 D107 V108 W139 | E100-G104 WeakPolarHBondContact O-CA 3.4Å; E100-G104 PolarHBondContact O-N 3.29Å; I101-G104 PolarHBondContact O-N 2.85Å; C102-G104 VanDerWaalsContact C-N 3.31Å; C102-G104 PolarHBondContact O-N 3.33Å; G104-Y106 PolarHBondContact O-N 3.14Å; G104-D107 PolarHBondContact O-N 2.89Å; G104-D107 VanDerWaalsContact O-N 3.15Å; G104-V108 PolarHBondContact O-N 3.39Å; G104-W139 VanDerWaalsContact C-CD2 3.46Å |
| 105 | I | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56 | -41.2 | 169.3 | -67.4 | 162.8 | 0 | 0 | 0 | 110.1 | I101 V108 L109 W139 F195 V199 L202 F245 F246 | I101-I105 HydrophobicContact CG2-CD1 3.99Å; I101-I105 WeakPolarHBondContact O-CD1 3.22Å; I101-I105 VanDerWaalsContact O-CG1 3.26Å; I101-I105 WeakPolarHBondContact O-CG1 3.38Å; I101-I105 PolarHBondContact O-N 2.84Å; I105-V108 PolarHBondContact O-N 2.95Å; I105-L109 VanDerWaalsContact O-CB 3.29Å; I105-L109 WeakPolarHBondContact O-CB 3.46Å; I105-L109 PolarHBondContact O-N 3.49Å; I105-W139 HydrophobicContact CG1-CH2 4.37Å; I105-W139 HydrophobicContact CG1-CZ3 4.06Å; I105-F195 HydrophobicContact CG2-CE2 4.35Å; I105-F195 HydrophobicContact CG2-CZ 3.77Å; I105-V199 HydrophobicContact CD1-CG1 4.45Å; I105-V199 HydrophobicContact CG1-CG2 4.45Å; I105-V199 HydrophobicContact CG2-CG2 3.64Å; I105-L202 HydrophobicContact CD1-CB 4.14Å; I105-L202 HydrophobicContact CD1-CD1 3.95Å; I105-L202 HydrophobicContact CG1-CD1 3.77Å; I105-F245 HydrophobicContact CD1-CE1 4.5Å; I105-F245 HydrophobicContact CD1-CZ 4.39Å; I105-F246 HydrophobicContact CB-CE1 4.35Å; I105-F246 HydrophobicContact CG2-CE1 3.89Å; I105-F246 HydrophobicContact CG2-CZ 3.84Å |
| 106 | Y | 97.6 | Very high | 96.5 | Very high | 38 Ų | 38 | 12.6 Ų | 12.6 | 15% | 0.149 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.4 | -35 | 177.1 | -170 | -102.8 | 0 | 0 | 0 | 113.3 | C102 S103 G104 L109 Q110 L241 F246 L251 | C102-Y106 PolarHBondContact O-N 3.19Å; C102-Y106 VanDerWaalsContact O-N 3.13Å; S103-Y106 WeakPolarHBondContact O-CB 3.39Å; S103-Y106 PolarHBondContact O-N 2.99Å; G104-Y106 PolarHBondContact O-N 3.14Å; Y106-L109 HydrophobicContact CD2-CD2 4.44Å; Y106-L109 PolarHBondContact O-N 2.97Å; Y106-Q110 HydrophobicContact CD1-CG 4.43Å; Y106-Q110 HydrophobicContact CE1-CG 4.14Å; Y106-Q110 WeakPolarHBondContact O-CG 3.41Å; Y106-Q110 PolarHBondContact O-N 2.8Å; Y106-Q110 PolarHBondContact O-NE2 3.17Å; Y106-L241 HydrophobicContact CD2-CD2 4.45Å; Y106-L241 HydrophobicContact CE2-CD2 3.77Å; Y106-F246 HydrophobicContact CD2-CB 3.93Å; Y106-F246 AromaticContact CD2-CD1 3.63Å; Y106-F246 HydrophobicContact CD2-CD1 3.63Å; Y106-F246 HydrophobicContact CD2-CD2 4.04Å; Y106-F246 HydrophobicContact CD2-CE1 4.08Å; Y106-F246 HydrophobicContact CD2-CE2 4.47Å; Y106-F246 AromaticContact CD2-CG 3.6Å; Y106-F246 HydrophobicContact CD2-CG 3.6Å; Y106-F246 HydrophobicContact CD2-CZ 4.49Å; Y106-F246 HydrophobicContact CE2-CB 4.23Å; Y106-F246 HydrophobicContact CE2-CG 4.25Å; Y106-F246 HydrophobicContact CG-CD1 4.1Å; Y106-F246 HydrophobicContact CG-CE1 4.47Å; Y106-F246 HydrophobicContact CG-CG 4.48Å; Y106-L251 HydrophobicContact CD1-CD1 4.42Å; Y106-L251 HydrophobicContact CD1-CD2 3.72Å; Y106-L251 HydrophobicContact CD2-CD1 4.49Å; Y106-L251 HydrophobicContact CE1-CD2 4.46Å; Y106-L251 HydrophobicContact CG-CD1 4.05Å; Y106-L251 HydrophobicContact CG-CD2 4.12Å |
| 107 | D | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 174.1 | -73.6 | -28.9 | 0 | 0 | 0 | 112 | C65 S103 G104 Q110 A111 H138 W139 K258 | C65-D107 HydrophobicContact CB-CB 4.15Å; C65-D107 WeakPolarHBondContact CB-O 3.39Å; S103-D107 PolarHBondContact O-N 3.03Å; G104-D107 PolarHBondContact O-N 2.89Å; G104-D107 VanDerWaalsContact O-N 3.15Å; D107-Q110 VanDerWaalsContact CA-NE2 3.35Å; D107-Q110 PolarHBondContact O-N 3.04Å; D107-Q110 PolarHBondContact OD1-NE2 3.21Å; D107-A111 PolarHBondContact O-N 3.45Å; D107-H138 IonicContact OD1-ND1 3.79Å; D107-H138 IonicContact OD2-CE1 2.99Å; D107-H138 IonicContact OD2-CG 3.89Å; D107-H138 IonicContact OD2-ND1 2.63Å; D107-H138 PolarHBondContact OD2-ND1 3.15Å; D107-W139 HydrophobicContact CB-CB 4.29Å; D107-K258 IonicContact OD1-NZ 3.66Å |
| 108 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.8 | -38 | 171.7 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | G104 I105 Q110 A111 L112 V131 W139 L141 F195 M198 | G104-V108 PolarHBondContact O-N 3.39Å; I105-V108 PolarHBondContact O-N 2.95Å; V108-Q110 PolarHBondContact O-N 3.02Å; V108-A111 WeakPolarHBondContact O-CB 3.31Å; V108-A111 PolarHBondContact O-N 2.69Å; V108-A111 VanDerWaalsContact O-N 3.16Å; V108-L112 HydrophobicContact CG1-CD1 4.05Å; V108-L112 HydrophobicContact CG1-CG 4.4Å; V108-L112 WeakPolarHBondContact O-CG 3.24Å; V108-L112 PolarHBondContact O-N 3.41Å; V108-V131 HydrophobicContact CG2-CG1 3.92Å; V108-V131 HydrophobicContact CG2-CG2 3.93Å; V108-W139 HydrophobicContact CG2-CB 4.04Å; V108-W139 HydrophobicContact CG2-CE3 3.97Å; V108-L141 HydrophobicContact CG1-CD1 4.49Å; V108-F195 HydrophobicContact CB-CE2 4.26Å; V108-F195 HydrophobicContact CG1-CD2 4.06Å; V108-F195 HydrophobicContact CG1-CE2 3.99Å; V108-M198 HydrophobicContact CG1-CE 4.13Å |
| 109 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 174.8 | -175.9 | 61 | 0 | 0 | 0 | 111.7 | I105 Y106 A111 L112 V113 F195 L237 L240 L241 F246 | I105-L109 VanDerWaalsContact O-CB 3.29Å; I105-L109 WeakPolarHBondContact O-CB 3.46Å; I105-L109 PolarHBondContact O-N 3.49Å; Y106-L109 HydrophobicContact CD2-CD2 4.44Å; Y106-L109 PolarHBondContact O-N 2.97Å; L109-A111 PolarHBondContact O-N 3.11Å; L109-L112 PolarHBondContact O-N 2.97Å; L109-V113 WeakPolarHBondContact O-CB 3.43Å; L109-V113 VanDerWaalsContact O-CG2 3.31Å; L109-V113 WeakPolarHBondContact O-CG2 3.48Å; L109-V113 PolarHBondContact O-N 2.82Å; L109-F195 HydrophobicContact CB-CE2 4.29Å; L109-F195 HydrophobicContact CB-CZ 3.86Å; L109-F195 HydrophobicContact CD1-CE1 3.86Å; L109-F195 HydrophobicContact CD1-CZ 3.9Å; L109-F195 HydrophobicContact CG-CZ 4.38Å; L109-L237 HydrophobicContact CD1-CB 3.8Å; L109-L237 HydrophobicContact CD1-CD1 4.38Å; L109-L237 HydrophobicContact CD1-CD2 4.03Å; L109-L237 HydrophobicContact CD1-CG 4.28Å; L109-L240 HydrophobicContact CD1-CB 4.41Å; L109-L240 HydrophobicContact CD1-CD2 4.36Å; L109-L240 HydrophobicContact CD2-CB 4.19Å; L109-L240 HydrophobicContact CD2-CD2 4.28Å; L109-L240 HydrophobicContact CD2-CG 4.43Å; L109-L241 HydrophobicContact CD2-CD2 3.81Å; L109-L241 HydrophobicContact CD2-CG 4.28Å; L109-L241 HydrophobicContact CG-CD2 3.83Å; L109-L241 HydrophobicContact CG-CG 4.39Å; L109-F246 HydrophobicContact CD2-CD2 4.35Å; L109-F246 HydrophobicContact CD2-CE2 3.59Å; L109-F246 HydrophobicContact CD2-CZ 3.86Å |
| 110 | Q | 97.9 | Very high | 97 | Very high | 44 Ų | 44 | 28.2 Ų | 28.2 | 21% | 0.206 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 173.1 | -72.6 | 162.9 | 94.1 | 0 | 0 | 111.9 | Y106 D107 V108 V113 F114 L241 | Y106-Q110 HydrophobicContact CD1-CG 4.43Å; Y106-Q110 HydrophobicContact CE1-CG 4.14Å; Y106-Q110 WeakPolarHBondContact O-CG 3.41Å; Y106-Q110 PolarHBondContact O-N 2.8Å; Y106-Q110 PolarHBondContact O-NE2 3.17Å; D107-Q110 VanDerWaalsContact CA-NE2 3.35Å; D107-Q110 PolarHBondContact O-N 3.04Å; D107-Q110 PolarHBondContact OD1-NE2 3.21Å; V108-Q110 PolarHBondContact O-N 3.02Å; Q110-V113 PolarHBondContact O-N 2.98Å; Q110-F114 WeakPolarHBondContact O-CB 3.32Å; Q110-F114 PolarHBondContact O-N 3.25Å; Q110-L241 HydrophobicContact CG-CD2 4.32Å |
| 111 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C65 L66 D107 V108 L109 F114 L115 L141 | C65-A111 HydrophobicContact CB-CB 4.01Å; C65-A111 WeakPolarHBondContact O-CB 3.47Å; L66-A111 HydrophobicContact CD2-CB 3.82Å; L66-A111 HydrophobicContact CG-CB 4.49Å; D107-A111 PolarHBondContact O-N 3.45Å; V108-A111 WeakPolarHBondContact O-CB 3.31Å; V108-A111 PolarHBondContact O-N 2.69Å; V108-A111 VanDerWaalsContact O-N 3.16Å; L109-A111 PolarHBondContact O-N 3.11Å; A111-F114 PolarHBondContact O-N 3.2Å; A111-L115 WeakPolarHBondContact O-CB 3.24Å; A111-L115 PolarHBondContact O-N 2.82Å; A111-L141 HydrophobicContact CB-CB 4.26Å; A111-L141 HydrophobicContact CB-CD2 4.45Å |
| 112 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.8 | -40.5 | 179.3 | -65 | 170 | 0 | 0 | 0 | 112.1 | V108 L109 F114 L115 H116 H123 V126 L141 F195 L237 | V108-L112 HydrophobicContact CG1-CD1 4.05Å; V108-L112 HydrophobicContact CG1-CG 4.4Å; V108-L112 WeakPolarHBondContact O-CG 3.24Å; V108-L112 PolarHBondContact O-N 3.41Å; L109-L112 PolarHBondContact O-N 2.97Å; L112-F114 VanDerWaalsContact C-N 3.29Å; L112-F114 PolarHBondContact O-N 2.92Å; L112-L115 PolarHBondContact O-N 3.49Å; L112-L115 VanDerWaalsContact O-N 3.1Å; L112-H116 WeakPolarHBondContact O-CB 3.41Å; L112-H116 PolarHBondContact O-N 2.88Å; L112-H123 HydrophobicContact CD2-CB 4.08Å; L112-V126 HydrophobicContact CD1-CG1 3.95Å; L112-V126 HydrophobicContact CD1-CG2 3.96Å; L112-V126 HydrophobicContact CD2-CG2 3.68Å; L112-V126 HydrophobicContact CG-CG2 4.48Å; L112-L141 HydrophobicContact CD2-CD2 3.59Å; L112-L141 HydrophobicContact CG-CD2 4.21Å; L112-F195 HydrophobicContact CD1-CB 3.98Å; L112-F195 HydrophobicContact CD1-CD2 3.6Å; L112-F195 HydrophobicContact CD1-CE2 4.4Å; L112-F195 HydrophobicContact CD1-CG 4Å; L112-L237 HydrophobicContact CB-CD1 3.4Å; L112-L237 HydrophobicContact CD1-CD1 3.73Å; L112-L237 HydrophobicContact CG-CD1 4.19Å |
| 113 | V | 98.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 27 Ų | 27 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.3 | -42.4 | 172.6 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | L109 Q110 E117 L237 L241 | L109-V113 WeakPolarHBondContact O-CB 3.43Å; L109-V113 VanDerWaalsContact O-CG2 3.31Å; L109-V113 WeakPolarHBondContact O-CG2 3.48Å; L109-V113 PolarHBondContact O-N 2.82Å; Q110-V113 PolarHBondContact O-N 2.98Å; V113-E117 HydrophobicContact CG1-CG 4.23Å; V113-E117 VanDerWaalsContact O-CB 3.31Å; V113-E117 WeakPolarHBondContact O-CB 3.1Å; V113-E117 WeakPolarHBondContact O-CG 3.44Å; V113-E117 PolarHBondContact O-N 2.85Å; V113-L237 HydrophobicContact CG2-CB 3.72Å; V113-L241 HydrophobicContact CG1-CD1 4.29Å; V113-L241 HydrophobicContact CG2-CD1 4.21Å; V113-L241 HydrophobicContact CG2-CG 4.48Å |
| 114 | F | 98.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 27.1 Ų | 27.1 | 15% | 0.154 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 172.1 | 168.5 | -90.8 | 0 | 0 | 0 | 112.3 | L61 H63 L66 Q110 A111 L112 R118 G119 | L61-F114 HydrophobicContact CB-CE1 4.41Å; L61-F114 HydrophobicContact CD2-CE1 4.38Å; H63-F114 HydrophobicContact CB-CD1 3.76Å; H63-F114 HydrophobicContact CB-CD2 4.14Å; H63-F114 HydrophobicContact CB-CE1 3.78Å; H63-F114 HydrophobicContact CB-CE2 4.15Å; H63-F114 HydrophobicContact CB-CG 3.96Å; H63-F114 HydrophobicContact CB-CZ 3.97Å; H63-F114 AromaticContact CD2-CD2 3.71Å; H63-F114 AromaticContact CD2-CG 3.72Å; H63-F114 AromaticContact CG-CG 3.82Å; L66-F114 HydrophobicContact CD1-CD1 3.91Å; L66-F114 HydrophobicContact CD1-CE1 3.77Å; Q110-F114 WeakPolarHBondContact O-CB 3.32Å; Q110-F114 PolarHBondContact O-N 3.25Å; A111-F114 PolarHBondContact O-N 3.2Å; L112-F114 VanDerWaalsContact C-N 3.29Å; L112-F114 PolarHBondContact O-N 2.92Å; F114-R118 HydrophobicContact CD2-CB 4.42Å; F114-R118 HydrophobicContact CD2-CG 4.48Å; F114-R118 HydrophobicContact CE2-CB 4.49Å; F114-R118 WeakPolarHBondContact O-CB 3.42Å; F114-R118 PolarHBondContact O-N 2.88Å; F114-G119 PolarHBondContact O-N 2.87Å |
| 115 | L | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | -178.6 | -169.3 | 69.8 | 0 | 0 | 0 | 112.3 | L61 A111 L112 G119 K120 S121 H123 | L61-L115 HydrophobicContact CD1-CD1 3.67Å; L61-L115 HydrophobicContact CD2-CD1 4.35Å; A111-L115 WeakPolarHBondContact O-CB 3.24Å; A111-L115 PolarHBondContact O-N 2.82Å; L112-L115 PolarHBondContact O-N 3.49Å; L112-L115 VanDerWaalsContact O-N 3.1Å; L115-G119 CarbonylContact O-C 3.5Å; L115-G119 VanDerWaalsContact O-C 3.25Å; L115-G119 WeakPolarHBondContact O-CA 3.41Å; L115-G119 PolarHBondContact O-N 2.98Å; L115-G119 VanDerWaalsContact O-N 3.16Å; L115-K120 PolarHBondContact O-N 3.11Å; L115-S121 WeakPolarHBondContact CG-O 3.18Å; L115-S121 PolarHBondContact O-N 3.46Å; L115-H123 HydrophobicContact CD2-CB 3.82Å |
| 116 | H | 97.5 | Very high | 97 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -74.3 | -54 | 179.2 | -63.1 | 169.5 | 0 | 0 | 0 | 112.1 | L112 K120 S121 F150 H188 D191 | L112-H116 WeakPolarHBondContact O-CB 3.41Å; L112-H116 PolarHBondContact O-N 2.88Å; H116-K120 WeakPolarHBondContact O-CD 3.09Å; H116-K120 PolarHBondContact O-N 3.22Å; H116-S121 PolarHBondContact CD2-O 3.01Å; H116-F150 HydrophobicContact CB-CZ 4.16Å; H116-H188 HydrophobicContact CB-CB 4.46Å; H116-D191 IonicContact CD2-OD2 3.99Å; H116-D191 IonicContact CE1-OD2 3.86Å; H116-D191 WeakPolarHBondContact NE2-CB 3.34Å; H116-D191 IonicContact NE2-OD2 3.15Å; H116-D191 PolarHBondContact NE2-OD2 3.45Å |
| 117 | E | 96.1 | Very high | 96.9 | Very high | 92 Ų | 92 | 25.8 Ų | 25.8 | 43% | 0.43 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -77.2 | -43.5 | -170.1 | -65.3 | -172.1 | 170.5 | 0 | 0 | 112.2 | V113 K120 S238 | V113-E117 HydrophobicContact CG1-CG 4.23Å; V113-E117 VanDerWaalsContact O-CB 3.31Å; V113-E117 WeakPolarHBondContact O-CB 3.1Å; V113-E117 WeakPolarHBondContact O-CG 3.44Å; V113-E117 PolarHBondContact O-N 2.85Å; E117-K120 WeakPolarHBondContact O-CE 3.38Å; E117-K120 PolarHBondContact O-NZ 3.19Å; E117-S238 WeakPolarHBondContact OE1-CB 3.49Å; E117-S238 PolarHBondContact OE1-OG 3.39Å |
| 118 | R | 95.4 | Very high | 96.8 | Very high | 204 Ų | 204 | 27.6 Ų | 27.6 | 77% | 0.77 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -39.8 | -178.8 | -53.1 | -171.5 | -173.2 | -173.9 | 1.5 | 112.5 | F114 | F114-R118 HydrophobicContact CD2-CB 4.42Å; F114-R118 HydrophobicContact CD2-CG 4.48Å; F114-R118 HydrophobicContact CE2-CB 4.49Å; F114-R118 WeakPolarHBondContact O-CB 3.42Å; F114-R118 PolarHBondContact O-N 2.88Å |
| 119 | G | 93.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 6% | 0.062 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -28.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F114 L115 S121 K149 | F114-G119 PolarHBondContact O-N 2.87Å; L115-G119 CarbonylContact O-C 3.5Å; L115-G119 VanDerWaalsContact O-C 3.25Å; L115-G119 WeakPolarHBondContact O-CA 3.41Å; L115-G119 PolarHBondContact O-N 2.98Å; L115-G119 VanDerWaalsContact O-N 3.16Å; G119-S121 PolarHBondContact O-N 2.88Å; G119-S121 PolarHBondContact O-OG 3.27Å; G119-K149 PolarHBondContact O-NZ 3.5Å |
| 120 | K | 95.6 | Very high | 96.5 | Very high | 116 Ų | 116 | 28.3 Ų | 28.3 | 50% | 0.504 | 13% | 0.128 | S | C | . | . | trans | 51.4 | 41.9 | -168.9 | -56.6 | -52.2 | -173.8 | -155 | 0 | 112.2 | L115 H116 E117 K149 F150 | L115-K120 PolarHBondContact O-N 3.11Å; H116-K120 WeakPolarHBondContact O-CD 3.09Å; H116-K120 PolarHBondContact O-N 3.22Å; E117-K120 WeakPolarHBondContact O-CE 3.38Å; E117-K120 PolarHBondContact O-NZ 3.19Å; K120-K149 WeakPolarHBondContact O-CA 3.42Å; K120-F150 HydrophobicContact CB-CD2 4.25Å; K120-F150 HydrophobicContact CB-CE2 4.48Å; K120-F150 HydrophobicContact CD-CE2 4.22Å; K120-F150 PolarHBondContact O-N 3.44Å | ||
| 121 | S | 96.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 3% | 0.028 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 146.9 | -172.1 | -79.8 | 0 | 0 | 0 | 0 | 111 | L115 H116 G119 C148 F150 | L115-S121 WeakPolarHBondContact CG-O 3.18Å; L115-S121 PolarHBondContact O-N 3.46Å; H116-S121 PolarHBondContact CD2-O 3.01Å; G119-S121 PolarHBondContact O-N 2.88Å; G119-S121 PolarHBondContact O-OG 3.27Å; S121-C148 CarbonylContact C-O 3.47Å; S121-C148 WeakPolarHBondContact CA-O 3.23Å; S121-C148 WeakPolarHBondContact CB-O 3.41Å; S121-C148 PolarHBondContact OG-O 2.79Å; S121-F150 WeakPolarHBondContact O-CE1 3.45Å |
| 122 | S | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 151.9 | 168.4 | -58.1 | 0 | 0 | 0 | 0 | 109.9 | N124 V147 C148 F150 A187 R190 D191 | S122-N124 WeakPolarHBondContact CB-OD1 3.2Å; S122-V147 VanDerWaalsContact O-CA 3.32Å; S122-V147 WeakPolarHBondContact O-CA 3.22Å; S122-C148 PolarHBondContact N-O 3.11Å; S122-C148 PolarHBondContact O-N 3.07Å; S122-F150 WeakPolarHBondContact OG-CD1 3.36Å; S122-A187 PolarHBondContact OG-O 2.9Å; S122-R190 PolarHBondContact OG-NH2 2.61Å; S122-D191 WeakPolarHBondContact CA-OD2 3.35Å |
| 123 | H | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -84.6 | -36.9 | 170.8 | -174.5 | -110.2 | 0 | 0 | 0 | 111.9 | L112 L115 N125 V126 G142 T146 D191 | L112-H123 HydrophobicContact CD2-CB 4.08Å; L115-H123 HydrophobicContact CD2-CB 3.82Å; H123-N125 PolarHBondContact CE1-O 3.41Å; H123-N125 PolarHBondContact ND1-O 3.2Å; H123-N125 PolarHBondContact O-N 2.99Å; H123-N125 VanDerWaalsContact O-N 3.08Å; H123-V126 HydrophobicContact CB-CG2 3.95Å; H123-V126 PolarHBondContact ND1-N 3.39Å; H123-G142 PolarHBondContact NE2-O 2.84Å; H123-G142 VanDerWaalsContact NE2-O 3.12Å; H123-T146 CarbonylContact O-C 3.52Å; H123-T146 WeakPolarHBondContact O-CB 3.16Å; H123-T146 PolarHBondContact O-OG1 3.31Å; H123-D191 PolarHBondContact N-OD1 3.3Å; H123-D191 PolarHBondContact N-OD2 3.38Å | ||
| 124 | N | 95.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 64.5 | -2.1 | 178.1 | -48.5 | -60.8 | 0 | 0 | 0 | 116.1 | S122 T146 C148 L158 I161 R165 R190 D191 | S122-N124 WeakPolarHBondContact CB-OD1 3.2Å; N124-T146 PolarHBondContact ND2-O 2.89Å; N124-C148 PolarHBondContact ND2-SG 3.1Å; N124-L158 HydrophobicContact CB-CD2 4.44Å; N124-I161 HydrophobicContact CB-CD1 3.85Å; N124-R165 PolarHBondContact O-NE 3.16Å; N124-R165 PolarHBondContact O-NH2 3.33Å; N124-R190 PolarHBondContact OD1-NE 2.63Å; N124-D191 PolarHBondContact N-OD1 2.74Å |
| 125 | N | 94.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | trans | -146 | 49.2 | 178.9 | -170.4 | 31.2 | 0 | 0 | 0 | 113.2 | H123 C127 S130 T146 A164 R165 E166 | H123-N125 PolarHBondContact CE1-O 3.41Å; H123-N125 PolarHBondContact ND1-O 3.2Å; H123-N125 PolarHBondContact O-N 2.99Å; H123-N125 VanDerWaalsContact O-N 3.08Å; N125-C127 PolarHBondContact O-N 3.12Å; N125-C127 VanDerWaalsContact O-N 3.16Å; N125-S130 WeakPolarHBondContact O-CB 3.39Å; N125-S130 PolarHBondContact O-OG 2.81Å; N125-T146 HydrophobicContact CB-CG2 3.95Å; N125-T146 WeakPolarHBondContact CB-OG1 3.47Å; N125-A164 PolarHBondContact ND2-O 3.16Å; N125-R165 HydrophobicContact CB-CG 4.25Å; N125-R165 WeakPolarHBondContact OD1-CA 3.49Å; N125-E166 PolarHBondContact OD1-N 3.34Å | ||
| 126 | V | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -75.5 | 104.7 | 178.1 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | L112 H123 D191 S194 F195 M198 | L112-V126 HydrophobicContact CD1-CG1 3.95Å; L112-V126 HydrophobicContact CD1-CG2 3.96Å; L112-V126 HydrophobicContact CD2-CG2 3.68Å; L112-V126 HydrophobicContact CG-CG2 4.48Å; H123-V126 HydrophobicContact CB-CG2 3.95Å; H123-V126 PolarHBondContact ND1-N 3.39Å; V126-D191 HydrophobicContact CG2-CB 4.2Å; V126-S194 CarbonylContact O-C 3.57Å; V126-S194 WeakPolarHBondContact O-CB 3.12Å; V126-F195 HydrophobicContact CG1-CB 4.06Å; V126-F195 HydrophobicContact CG1-CD2 4.23Å; V126-M198 HydrophobicContact CG1-CE 4.45Å; V126-M198 HydrophobicContact CG1-SD 4.08Å | ||
| 127 | C | 95.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -152 | 170.2 | -177.7 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | N125 S129 S130 E166 C169 | N125-C127 PolarHBondContact O-N 3.12Å; N125-C127 VanDerWaalsContact O-N 3.16Å; C127-S129 PolarHBondContact O-N 3.1Å; C127-S129 PolarHBondContact SG-OG 3.26Å; C127-S130 PolarHBondContact N-OG 3.33Å; C127-S130 VanDerWaalsContact N-OG 3.11Å; C127-S130 WeakPolarHBondContact O-CB 3.48Å; C127-S130 PolarHBondContact O-N 3.33Å; C127-S130 PolarHBondContact O-OG 2.92Å; C127-E166 HydrophobicContact CB-CB 3.67Å; C127-E166 HydrophobicContact CB-CG 3.93Å; C127-C169 HydrophobicContact CB-CB 4.43Å |
| 128 | L | 95.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 21% | 0.209 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -58 | -45.7 | -177 | -62.9 | 174.8 | 0 | 0 | 0 | 112.8 | L89 E90 L93 S130 V131 M198 L202 | L89-L128 HydrophobicContact CD2-CD2 3.92Å; E90-L128 HydrophobicContact CG-CB 3.86Å; L93-L128 HydrophobicContact CD1-CD1 4.29Å; L128-S130 PolarHBondContact O-N 3.16Å; L128-S130 VanDerWaalsContact O-N 3.14Å; L128-V131 PolarHBondContact O-N 3.13Å; L128-M198 HydrophobicContact CD2-CG 3.79Å; L128-M198 HydrophobicContact CG-CG 4.26Å; L128-L202 HydrophobicContact CD2-CD1 4.06Å; L128-L202 HydrophobicContact CD2-CD2 3.92Å; L128-L202 HydrophobicContact CD2-CG 4.04Å |
| 129 | S | 94.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 22 Ų | 22 | 8% | 0.084 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -64.4 | -14.2 | 176.1 | 68.6 | 0 | 0 | 0 | 0 | 115 | E90 C127 | E90-S129 WeakPolarHBondContact OE1-CA 3.12Å; E90-S129 VanDerWaalsContact OE1-CB 3.31Å; E90-S129 WeakPolarHBondContact OE1-CB 3.21Å; E90-S129 PolarHBondContact OE1-N 2.87Å; C127-S129 PolarHBondContact O-N 3.1Å; C127-S129 PolarHBondContact SG-OG 3.26Å |
| 130 | S | 95.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -85.4 | -6.2 | 172.4 | 78 | 0 | 0 | 0 | 0 | 113.7 | N125 C127 L128 F132 G142 | N125-S130 WeakPolarHBondContact O-CB 3.39Å; N125-S130 PolarHBondContact O-OG 2.81Å; C127-S130 PolarHBondContact N-OG 3.33Å; C127-S130 VanDerWaalsContact N-OG 3.11Å; C127-S130 WeakPolarHBondContact O-CB 3.48Å; C127-S130 PolarHBondContact O-N 3.33Å; C127-S130 PolarHBondContact O-OG 2.92Å; L128-S130 PolarHBondContact O-N 3.16Å; L128-S130 VanDerWaalsContact O-N 3.14Å; S130-F132 WeakPolarHBondContact O-CE2 3.5Å; S130-G142 PolarHBondContact O-N 3.4Å |
| 131 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 136.3 | -175.8 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | L89 V108 L128 W139 L141 M198 | L89-V131 HydrophobicContact CB-CB 4.2Å; L89-V131 HydrophobicContact CB-CG1 4.25Å; L89-V131 VanDerWaalsContact CB-O 3.23Å; L89-V131 WeakPolarHBondContact CB-O 3.29Å; L89-V131 HydrophobicContact CD2-CB 3.92Å; L89-V131 HydrophobicContact CD2-CG1 3.86Å; L89-V131 PolarHBondContact N-O 2.75Å; V108-V131 HydrophobicContact CG2-CG1 3.92Å; V108-V131 HydrophobicContact CG2-CG2 3.93Å; L128-V131 PolarHBondContact O-N 3.13Å; V131-W139 HydrophobicContact CG1-CB 3.92Å; V131-W139 HydrophobicContact CG1-CD2 3.91Å; V131-W139 HydrophobicContact CG1-CE3 3.71Å; V131-W139 HydrophobicContact CG1-CG 4.04Å; V131-L141 HydrophobicContact CG2-CD1 4.4Å; V131-M198 HydrophobicContact CG2-SD 4Å |
| 132 | F | 97.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 2% | 0.018 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 156.5 | -179.9 | -52.7 | -93 | 0 | 0 | 0 | 110.1 | L21 M27 F41 L67 V86 Q87 P88 S130 W139 K140 | L21-F132 HydrophobicContact CD1-CE1 4.23Å; L21-F132 HydrophobicContact CD1-CZ 3.75Å; L21-F132 HydrophobicContact CD2-CE1 4.31Å; L21-F132 HydrophobicContact CD2-CZ 4.4Å; M27-F132 HydrophobicContact CE-CD1 4.06Å; M27-F132 HydrophobicContact CE-CE1 4.38Å; M27-F132 HydrophobicContact SD-CD1 4.05Å; M27-F132 HydrophobicContact SD-CE1 3.82Å; F41-F132 AromaticContact CE1-CE1 3.7Å; F41-F132 HydrophobicContact CE1-CE1 3.7Å; F41-F132 AromaticContact CE1-CZ 3.88Å; F41-F132 HydrophobicContact CE1-CZ 3.88Å; F41-F132 HydrophobicContact CZ-CD1 4.23Å; F41-F132 AromaticContact CZ-CE1 3.83Å; F41-F132 HydrophobicContact CZ-CE1 3.83Å; F41-F132 HydrophobicContact CZ-CZ 4.09Å; L67-F132 HydrophobicContact CD2-CD2 4.32Å; V86-F132 HydrophobicContact CB-CB 3.79Å; V86-F132 HydrophobicContact CG1-CB 4.42Å; V86-F132 HydrophobicContact CG2-CB 3.62Å; V86-F132 HydrophobicContact CG2-CD1 4.12Å; V86-F132 HydrophobicContact CG2-CG 4.02Å; Q87-F132 CarbonylContact O-C 3.56Å; Q87-F132 VanDerWaalsContact O-CA 3.22Å; Q87-F132 WeakPolarHBondContact O-CA 3.29Å; Q87-F132 WeakPolarHBondContact O-CB 3.5Å; P88-F132 HydrophobicContact CB-CD1 4.5Å; S130-F132 WeakPolarHBondContact O-CE2 3.5Å; F132-W139 CarbonylContact O-C 3.55Å; F132-W139 WeakPolarHBondContact O-CA 3.29Å; F132-K140 HydrophobicContact CB-CB 4.49Å; F132-K140 PolarHBondContact N-O 3.08Å; F132-K140 PolarHBondContact O-N 3.43Å |
| 133 | V | 97.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.2 | -179.7 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | V86 Q87 L89 L92 | V86-V133 CarbonylContact C-O 3.54Å; V86-V133 WeakPolarHBondContact CA-O 3.46Å; V86-V133 WeakPolarHBondContact CB-O 3.43Å; Q87-V133 PolarHBondContact N-O 3.31Å; Q87-V133 PolarHBondContact O-N 3.39Å; L89-V133 HydrophobicContact CB-CG2 4.47Å; L89-V133 HydrophobicContact CD1-CG2 4Å; L92-V133 HydrophobicContact CD1-CB 3.73Å; L92-V133 HydrophobicContact CD1-CG1 4.25Å; L92-V133 HydrophobicContact CD1-CG2 3.8Å |
| 134 | S | 95.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 17.6 Ų | 17.6 | 8% | 0.084 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 167.9 | 174.5 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | D136 G137 H138 K140 | S134-D136 WeakPolarHBondContact CB-OD1 3.04Å; S134-D136 PolarHBondContact O-N 3.37Å; S134-D136 VanDerWaalsContact O-N 3.1Å; S134-D136 PolarHBondContact OG-OD1 3.23Å; S134-G137 VanDerWaalsContact O-CA 3.3Å; S134-G137 WeakPolarHBondContact O-CA 3.06Å; S134-G137 PolarHBondContact O-N 2.81Å; S134-H138 PolarHBondContact N-O 3.27Å; S134-H138 PolarHBondContact OG-O 3.18Å; S134-H138 VanDerWaalsContact OG-O 3.13Å; S134-K140 VanDerWaalsContact OG-CE 3.27Å; S134-K140 WeakPolarHBondContact OG-CE 2.99Å |
| 135 | E | 90.6 | Very high | 95.2 | Very high | 140 Ų | 140 | 18.6 Ų | 18.6 | 65% | 0.654 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.4 | -178.1 | -56.1 | -173.5 | 146.6 | 0 | 0 | 114.5 | P37 H85 G137 | P37-E135 WeakPolarHBondContact CG-OE1 3.4Å; H85-E135 HydrophobicContact CB-CG 4.38Å; H85-E135 IonicContact CE1-OE1 2.87Å; H85-E135 IonicContact CG-OE1 2.91Å; H85-E135 IonicContact ND1-OE1 2.75Å; H85-E135 PolarHBondContact ND1-OE1 2.77Å; E135-G137 VanDerWaalsContact C-N 3.32Å |
| 136 | D | 89.1 | Confident | 95.2 | Very high | 77 Ų | 77 | 18.2 Ų | 18.2 | 41% | 0.412 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 13.8 | 173.5 | 66.5 | -14.4 | 0 | 0 | 0 | 113.5 | S134 H138 R290 | S134-D136 WeakPolarHBondContact CB-OD1 3.04Å; S134-D136 PolarHBondContact O-N 3.37Å; S134-D136 VanDerWaalsContact O-N 3.1Å; S134-D136 PolarHBondContact OG-OD1 3.23Å; D136-H138 VanDerWaalsContact C-N 3.29Å; D136-H138 PolarHBondContact O-N 2.77Å; D136-H138 IonicContact OD1-CD2 3.68Å; D136-H138 IonicContact OD2-CD2 3.15Å; D136-H138 PolarHBondContact OD2-CD2 2.71Å; D136-R290 VanDerWaalsContact O-CZ 3.29Å; D136-R290 PolarHBondContact O-NE 3.13Å; D136-R290 PolarHBondContact O-NH2 2.89Å |
| 137 | G | 92.9 | Very high | 95.1 | Very high | 8 Ų | 8 | 18.2 Ų | 18.2 | 8% | 0.082 | 10% | 0.098 | C | C | . | . | trans | 69.9 | 10.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S134 E135 R290 | S134-G137 VanDerWaalsContact O-CA 3.3Å; S134-G137 WeakPolarHBondContact O-CA 3.06Å; S134-G137 PolarHBondContact O-N 2.81Å; E135-G137 VanDerWaalsContact C-N 3.32Å; G137-R290 VanDerWaalsContact C-CZ 3.43Å; G137-R290 VanDerWaalsContact O-CZ 3.29Å; G137-R290 PolarHBondContact O-NH1 2.98Å; G137-R290 PolarHBondContact O-NH2 3.19Å | ||
| 138 | H | 95.4 | Very high | 95.1 | Very high | 20 Ų | 20 | 18.2 Ų | 18.2 | 9% | 0.093 | 10% | 0.098 | C | C | . | . | trans | -75.9 | 139.5 | 175.6 | -76.4 | -59.4 | 0 | 0 | 0 | 110.8 | D107 S134 D136 K294 | D107-H138 IonicContact OD1-ND1 3.79Å; D107-H138 IonicContact OD2-CE1 2.99Å; D107-H138 IonicContact OD2-CG 3.89Å; D107-H138 IonicContact OD2-ND1 2.63Å; D107-H138 PolarHBondContact OD2-ND1 3.15Å; S134-H138 PolarHBondContact N-O 3.27Å; S134-H138 PolarHBondContact OG-O 3.18Å; S134-H138 VanDerWaalsContact OG-O 3.13Å; D136-H138 VanDerWaalsContact C-N 3.29Å; D136-H138 PolarHBondContact O-N 2.77Å; D136-H138 IonicContact OD1-CD2 3.68Å; D136-H138 IonicContact OD2-CD2 3.15Å; D136-H138 PolarHBondContact OD2-CD2 2.71Å; H138-K294 PolarHBondContact NE2-NZ 3.1Å; H138-K294 VanDerWaalsContact NE2-NZ 3.16Å | ||
| 139 | W | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 136 | 178.1 | -73.2 | 19.6 | 0 | 0 | 0 | 110.6 | L89 L96 I101 G104 I105 D107 V108 V131 F132 L202 | L89-W139 HydrophobicContact CD1-CD2 4.27Å; L89-W139 HydrophobicContact CD1-CH2 3.84Å; L89-W139 HydrophobicContact CD1-CZ2 3.33Å; L89-W139 HydrophobicContact CD1-CZ3 4.48Å; L89-W139 HydrophobicContact CD2-CD2 4.25Å; L89-W139 HydrophobicContact CD2-CE3 3.9Å; L89-W139 HydrophobicContact CD2-CH2 3.57Å; L89-W139 HydrophobicContact CD2-CZ2 3.94Å; L89-W139 HydrophobicContact CD2-CZ3 3.55Å; L89-W139 HydrophobicContact CG-CH2 4.35Å; L89-W139 HydrophobicContact CG-CZ2 4.29Å; L96-W139 HydrophobicContact CD1-CZ2 3.99Å; I101-W139 HydrophobicContact CB-CZ2 4.49Å; I101-W139 HydrophobicContact CG1-CZ2 4.43Å; I101-W139 HydrophobicContact CG2-CH2 4.23Å; G104-W139 VanDerWaalsContact C-CD2 3.46Å; I105-W139 HydrophobicContact CG1-CH2 4.37Å; I105-W139 HydrophobicContact CG1-CZ3 4.06Å; D107-W139 HydrophobicContact CB-CB 4.29Å; V108-W139 HydrophobicContact CG2-CB 4.04Å; V108-W139 HydrophobicContact CG2-CE3 3.97Å; V131-W139 HydrophobicContact CG1-CB 3.92Å; V131-W139 HydrophobicContact CG1-CD2 3.91Å; V131-W139 HydrophobicContact CG1-CE3 3.71Å; V131-W139 HydrophobicContact CG1-CG 4.04Å; F132-W139 CarbonylContact O-C 3.55Å; F132-W139 WeakPolarHBondContact O-CA 3.29Å; W139-L202 HydrophobicContact CH2-CD1 3.89Å; W139-L202 HydrophobicContact CZ3-CD1 3.91Å |
| 140 | K | 98.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 20.4 Ų | 20.4 | 8% | 0.078 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.4 | -175.8 | -54 | -54.1 | -172.6 | 113.9 | 0 | 109 | P64 C65 L67 E84 V86 F132 S134 | P64-K140 WeakPolarHBondContact O-CD 3.4Å; P64-K140 VanDerWaalsContact O-CE 3.3Å; P64-K140 WeakPolarHBondContact O-CE 3.49Å; P64-K140 PolarHBondContact O-NZ 2.72Å; C65-K140 WeakPolarHBondContact O-CA 3.33Å; L67-K140 HydrophobicContact CB-CB 4.37Å; L67-K140 HydrophobicContact CD1-CB 4.39Å; E84-K140 IonicContact OE1-NZ 1.78Å; E84-K140 PolarHBondContact OE1-NZ 2.83Å; E84-K140 IonicContact OE2-NZ 3.19Å; V86-K140 HydrophobicContact CG1-CG 4.16Å; F132-K140 HydrophobicContact CB-CB 4.49Å; F132-K140 PolarHBondContact N-O 3.08Å; F132-K140 PolarHBondContact O-N 3.43Å; S134-K140 VanDerWaalsContact OG-CE 3.27Å; S134-K140 WeakPolarHBondContact OG-CE 2.99Å |
| 141 | L | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 124.4 | 169.1 | -173.7 | 68.1 | 0 | 0 | 0 | 109.3 | C65 L66 L67 V108 A111 L112 V131 M144 | C65-L141 PolarHBondContact O-N 3.04Å; L66-L141 HydrophobicContact CD2-CB 4.1Å; L66-L141 HydrophobicContact CD2-CD2 4.22Å; L67-L141 PolarHBondContact N-O 3.1Å; V108-L141 HydrophobicContact CG1-CD1 4.49Å; A111-L141 HydrophobicContact CB-CB 4.26Å; A111-L141 HydrophobicContact CB-CD2 4.45Å; L112-L141 HydrophobicContact CD2-CD2 3.59Å; L112-L141 HydrophobicContact CG-CD2 4.21Å; V131-L141 HydrophobicContact CG2-CD1 4.4Å; L141-M144 WeakPolarHBondContact O-CE 3.31Å |
| 142 | G | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | trans | -101.5 | -130.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H123 S130 M144 | H123-G142 PolarHBondContact NE2-O 2.84Å; H123-G142 VanDerWaalsContact NE2-O 3.12Å; S130-G142 PolarHBondContact O-N 3.4Å; G142-M144 VanDerWaalsContact C-N 3.26Å; G142-M144 WeakPolarHBondContact O-CE 3.35Å; G142-M144 PolarHBondContact O-N 3.17Å | ||
| 143 | G | 92.5 | Very high | 94.6 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | trans | 63.1 | 15.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | E145 T146 | G143-E145 PolarHBondContact O-N 3.36Å; G143-T146 PolarHBondContact O-N 3.01Å; G143-T146 VanDerWaalsContact O-N 3.16Å; G143-T146 PolarHBondContact O-OG1 3.16Å; G143-T146 VanDerWaalsContact O-OG1 3.13Å | ||
| 144 | M | 93.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -1.9 | -167.4 | -51.2 | -64 | 163.7 | 0 | 0 | 115.5 | T54 H57 L58 L66 L141 G142 T146 V147 | T54-M144 HydrophobicContact CG2-CB 4.1Å; H57-M144 HydrophobicContact CB-CB 3.78Å; H57-M144 HydrophobicContact CB-CG 4.37Å; H57-M144 PolarHBondContact ND1-O 3.08Å; L58-M144 HydrophobicContact CD2-CB 4.41Å; L58-M144 HydrophobicContact CD2-CE 4.21Å; L58-M144 HydrophobicContact CD2-CG 3.43Å; L58-M144 VanDerWaalsContact CD2-CG 3.43Å; L58-M144 HydrophobicContact CG-CB 4.33Å; L58-M144 HydrophobicContact CG-CG 3.82Å; L66-M144 HydrophobicContact CB-CE 4.25Å; L66-M144 HydrophobicContact CD2-CE 3.7Å; L66-M144 HydrophobicContact CG-CE 4.41Å; L141-M144 WeakPolarHBondContact O-CE 3.31Å; G142-M144 VanDerWaalsContact C-N 3.26Å; G142-M144 WeakPolarHBondContact O-CE 3.35Å; G142-M144 PolarHBondContact O-N 3.17Å; M144-T146 VanDerWaalsContact C-N 3.31Å; M144-V147 HydrophobicContact CB-CG2 4.31Å; M144-V147 HydrophobicContact SD-CG2 3.78Å |
| 145 | E | 91.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 31.8 Ų | 31.8 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -38.7 | 168.4 | 53.3 | -90.9 | -147.5 | 0 | 0 | 112.1 | S23 K53 T54 G143 | S23-E145 WeakPolarHBondContact CB-OE1 3.41Å; S23-E145 PolarHBondContact OG-OE1 3.04Å; K53-E145 PolarHBondContact NZ-O 2.86Å; T54-E145 VanDerWaalsContact OG1-CA 3.23Å; T54-E145 WeakPolarHBondContact OG1-CA 3.34Å; T54-E145 WeakPolarHBondContact OG1-CB 3.17Å; T54-E145 PolarHBondContact OG1-N 2.87Å; T54-E145 PolarHBondContact OG1-OE2 3.03Å; G143-E145 PolarHBondContact O-N 3.36Å |
| 146 | T | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -83.9 | -10.3 | -177 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | H123 N124 N125 G143 M144 I161 A164 R165 | H123-T146 CarbonylContact O-C 3.52Å; H123-T146 WeakPolarHBondContact O-CB 3.16Å; H123-T146 PolarHBondContact O-OG1 3.31Å; N124-T146 PolarHBondContact ND2-O 2.89Å; N125-T146 HydrophobicContact CB-CG2 3.95Å; N125-T146 WeakPolarHBondContact CB-OG1 3.47Å; G143-T146 PolarHBondContact O-N 3.01Å; G143-T146 VanDerWaalsContact O-N 3.16Å; G143-T146 PolarHBondContact O-OG1 3.16Å; G143-T146 VanDerWaalsContact O-OG1 3.13Å; M144-T146 VanDerWaalsContact C-N 3.31Å; T146-I161 HydrophobicContact CG2-CB 4.21Å; T146-I161 HydrophobicContact CG2-CD1 4.01Å; T146-A164 HydrophobicContact CG2-CB 4.05Å; T146-R165 HydrophobicContact CG2-CG 4.25Å |
| 147 | V | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -64.4 | 144.6 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | K53 H57 L61 S122 M144 | K53-V147 VanDerWaalsContact CE-O 3.3Å; K53-V147 WeakPolarHBondContact CE-O 3.45Å; K53-V147 PolarHBondContact NZ-O 3.26Å; H57-V147 PolarHBondContact CE1-O 3.32Å; L61-V147 HydrophobicContact CD1-CG1 4.36Å; S122-V147 VanDerWaalsContact O-CA 3.32Å; S122-V147 WeakPolarHBondContact O-CA 3.22Å; M144-V147 HydrophobicContact CB-CG2 4.31Å; M144-V147 HydrophobicContact SD-CG2 3.78Å | ||
| 148 | C | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 169.7 | 170.8 | 65.8 | 0 | 0 | 0 | 0 | 110.1 | S121 S122 N124 E152 A153 F157 | S121-C148 CarbonylContact C-O 3.47Å; S121-C148 WeakPolarHBondContact CA-O 3.23Å; S121-C148 WeakPolarHBondContact CB-O 3.41Å; S121-C148 PolarHBondContact OG-O 2.79Å; S122-C148 PolarHBondContact N-O 3.11Å; S122-C148 PolarHBondContact O-N 3.07Å; N124-C148 PolarHBondContact ND2-SG 3.1Å; C148-E152 HydrophobicContact CB-CB 4.04Å; C148-A153 WeakPolarHBondContact SG-CB 3.41Å; C148-F157 HydrophobicContact CB-CD1 4.24Å; C148-F157 HydrophobicContact CB-CE1 3.64Å; C148-F157 HydrophobicContact CB-CE2 4.34Å; C148-F157 HydrophobicContact CB-CZ 3.71Å; C148-F157 VanDerWaalsContact SG-CE1 3.51Å |
| 149 | K | 95.5 | Very high | 94.4 | Very high | 85 Ų | 85 | 33.9 Ų | 33.9 | 37% | 0.37 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 156.1 | 163.8 | -64.1 | -72.8 | 165 | -173.3 | 0 | 110.7 | G119 K120 S151 E152 A153 | G119-K149 PolarHBondContact O-NZ 3.5Å; K120-K149 WeakPolarHBondContact O-CA 3.42Å; K149-S151 VanDerWaalsContact C-N 3.26Å; K149-S151 PolarHBondContact O-N 3.33Å; K149-E152 HydrophobicContact CB-CB 4.21Å; K149-E152 VanDerWaalsContact CB-CD 3.48Å; K149-E152 HydrophobicContact CB-CG 3.85Å; K149-E152 HydrophobicContact CG-CG 4.41Å; K149-E152 WeakPolarHBondContact CG-OE1 3.4Å; K149-E152 PolarHBondContact N-OE2 3.37Å; K149-E152 PolarHBondContact O-N 2.87Å; K149-E152 VanDerWaalsContact O-N 3.07Å; K149-A153 PolarHBondContact O-N 2.92Å |
| 150 | F | 95.7 | Very high | 94.1 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 6% | 0.057 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -53.2 | -44.9 | 174 | -68 | -23.5 | 0 | 0 | 0 | 112.1 | H116 K120 S121 S122 E152 A153 I181 A187 | H116-F150 HydrophobicContact CB-CZ 4.16Å; K120-F150 HydrophobicContact CB-CD2 4.25Å; K120-F150 HydrophobicContact CB-CE2 4.48Å; K120-F150 HydrophobicContact CD-CE2 4.22Å; K120-F150 PolarHBondContact O-N 3.44Å; S121-F150 WeakPolarHBondContact O-CE1 3.45Å; S122-F150 WeakPolarHBondContact OG-CD1 3.36Å; F150-E152 VanDerWaalsContact C-N 3.31Å; F150-E152 PolarHBondContact O-N 2.79Å; F150-A153 WeakPolarHBondContact O-CB 3.48Å; F150-A153 PolarHBondContact O-N 2.61Å; F150-I181 WeakPolarHBondContact O-CD1 3.3Å; F150-A187 HydrophobicContact CB-CB 3.56Å; F150-A187 HydrophobicContact CD1-CB 3.48Å; F150-A187 VanDerWaalsContact CD1-CB 3.48Å; F150-A187 HydrophobicContact CD2-CB 3.88Å; F150-A187 HydrophobicContact CE1-CB 4.03Å; F150-A187 HydrophobicContact CE2-CB 4.39Å; F150-A187 HydrophobicContact CG-CB 3.39Å; F150-A187 HydrophobicContact CZ-CB 4.45Å |
| 151 | S | 93.9 | Very high | 93.7 | Very high | 80 Ų | 80 | 36.9 Ų | 36.9 | 56% | 0.559 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -70.7 | -15.5 | 177.6 | 58.7 | 0 | 0 | 0 | 0 | 115.7 | K149 I181 | K149-S151 VanDerWaalsContact C-N 3.26Å; K149-S151 PolarHBondContact O-N 3.33Å; S151-I181 WeakPolarHBondContact O-CD1 3.47Å |
| 152 | E | 93.7 | Very high | 93.3 | Very high | 102 Ų | 102 | 43 Ų | 43 | 48% | 0.477 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -91.7 | -8 | 179.1 | -70.3 | 163.7 | -174.5 | 0 | 0 | 112.1 | C148 K149 F150 T154 | C148-E152 HydrophobicContact CB-CB 4.04Å; K149-E152 HydrophobicContact CB-CB 4.21Å; K149-E152 VanDerWaalsContact CB-CD 3.48Å; K149-E152 HydrophobicContact CB-CG 3.85Å; K149-E152 HydrophobicContact CG-CG 4.41Å; K149-E152 WeakPolarHBondContact CG-OE1 3.4Å; K149-E152 PolarHBondContact N-OE2 3.37Å; K149-E152 PolarHBondContact O-N 2.87Å; K149-E152 VanDerWaalsContact O-N 3.07Å; F150-E152 VanDerWaalsContact C-N 3.31Å; F150-E152 PolarHBondContact O-N 2.79Å; E152-T154 PolarHBondContact O-N 2.86Å |
| 153 | A | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -88.3 | 51.1 | -163.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C148 K149 F150 R190 | C148-A153 WeakPolarHBondContact SG-CB 3.41Å; K149-A153 PolarHBondContact O-N 2.92Å; F150-A153 WeakPolarHBondContact O-CB 3.48Å; F150-A153 PolarHBondContact O-N 2.61Å; A153-R190 VanDerWaalsContact CB-NH1 3.3Å; A153-R190 PolarHBondContact O-NH1 2.82Å; A153-R190 VanDerWaalsContact O-NH1 3.14Å | ||
| 154 | T | 93.7 | Very high | 92.6 | Very high | 44 Ų | 44 | 47 Ų | 47 | 27% | 0.27 | 26% | 0.257 | S | S | . | . | trans | -73.3 | 165.2 | -177 | 79 | 0 | 0 | 0 | 0 | 112.2 | E152 E156 F157 L158 I181 | E152-T154 PolarHBondContact O-N 2.86Å; T154-E156 VanDerWaalsContact C-N 3.26Å; T154-E156 WeakPolarHBondContact CB-OE2 3.38Å; T154-E156 PolarHBondContact O-N 3.42Å; T154-E156 PolarHBondContact OG1-N 3.3Å; T154-E156 PolarHBondContact OG1-OE2 2.98Å; T154-F157 WeakPolarHBondContact O-CB 3.47Å; T154-F157 PolarHBondContact O-N 2.91Å; T154-F157 PolarHBondContact OG1-N 3Å; T154-L158 WeakPolarHBondContact O-CG 3.12Å; T154-L158 PolarHBondContact O-N 3.14Å; T154-I181 HydrophobicContact CG2-CD1 4.34Å | ||
| 155 | P | 92.3 | Very high | 92.4 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 27% | 0.266 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.9 | -39.4 | 175.5 | -24.5 | 35.3 | 0 | 0 | 0 | 113.2 | L158 D159 F179 | P155-L158 PolarHBondContact O-N 3.01Å; P155-D159 PolarHBondContact O-N 3.43Å; P155-F179 HydrophobicContact CG-CD1 4.11Å; P155-F179 VanDerWaalsContact CG-O 3.26Å; P155-F179 WeakPolarHBondContact CG-O 3.3Å |
| 156 | E | 92.8 | Very high | 92.4 | Very high | 134 Ų | 134 | 50.1 Ų | 50.1 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.1 | -37.7 | 179 | -51.4 | 75.4 | -165.1 | 0 | 0 | 111.5 | T154 S160 | T154-E156 VanDerWaalsContact C-N 3.26Å; T154-E156 WeakPolarHBondContact CB-OE2 3.38Å; T154-E156 PolarHBondContact O-N 3.42Å; T154-E156 PolarHBondContact OG1-N 3.3Å; T154-E156 PolarHBondContact OG1-OE2 2.98Å; E156-S160 PolarHBondContact O-N 3.27Å; E156-S160 VanDerWaalsContact O-N 3.1Å |
| 157 | F | 93.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 172 | 173.1 | -101.4 | 0 | 0 | 0 | 111.1 | C148 T154 D159 S160 I161 | C148-F157 HydrophobicContact CB-CD1 4.24Å; C148-F157 HydrophobicContact CB-CE1 3.64Å; C148-F157 HydrophobicContact CB-CE2 4.34Å; C148-F157 HydrophobicContact CB-CZ 3.71Å; C148-F157 VanDerWaalsContact SG-CE1 3.51Å; T154-F157 WeakPolarHBondContact O-CB 3.47Å; T154-F157 PolarHBondContact O-N 2.91Å; T154-F157 PolarHBondContact OG1-N 3Å; F157-D159 VanDerWaalsContact C-N 3.32Å; F157-D159 PolarHBondContact O-N 2.98Å; F157-S160 WeakPolarHBondContact O-CB 3.34Å; F157-S160 PolarHBondContact O-N 2.62Å; F157-S160 VanDerWaalsContact O-N 3.17Å; F157-S160 PolarHBondContact O-OG 3.16Å; F157-I161 HydrophobicContact CD1-CD1 4.47Å; F157-I161 HydrophobicContact CE1-CD1 3.7Å; F157-I161 HydrophobicContact CE1-CG1 4.24Å; F157-I161 HydrophobicContact CE1-CG2 4.46Å; F157-I161 HydrophobicContact CE2-CG2 3.89Å; F157-I161 HydrophobicContact CZ-CD1 3.98Å; F157-I161 HydrophobicContact CZ-CG1 4.39Å; F157-I161 HydrophobicContact CZ-CG2 3.79Å; F157-I161 WeakPolarHBondContact O-CG1 3.35Å; F157-I161 PolarHBondContact O-N 2.77Å |
| 158 | L | 93 | Very high | 91.8 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.8 | -35.5 | -178.2 | -66.4 | 168.1 | 0 | 0 | 0 | 112.7 | N124 T154 P155 I161 Q162 E174 F179 | N124-L158 HydrophobicContact CB-CD2 4.44Å; T154-L158 WeakPolarHBondContact O-CG 3.12Å; T154-L158 PolarHBondContact O-N 3.14Å; P155-L158 PolarHBondContact O-N 3.01Å; L158-I161 HydrophobicContact CD2-CD1 4.43Å; L158-I161 WeakPolarHBondContact O-CG1 3.5Å; L158-Q162 PolarHBondContact O-N 2.72Å; L158-Q162 VanDerWaalsContact O-N 3.16Å; L158-E174 HydrophobicContact CD1-CG 4.43Å; L158-F179 HydrophobicContact CD1-CD1 4.45Å; L158-F179 HydrophobicContact CD1-CE1 3.64Å; L158-F179 HydrophobicContact CD1-CZ 4.37Å |
| 159 | D | 91.7 | Very high | 91.5 | Very high | 110 Ų | 110 | 57.9 Ų | 57.9 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.6 | -46.8 | 171.6 | -171.6 | 69 | 0 | 0 | 0 | 111.2 | P155 F157 I161 Q162 | P155-D159 PolarHBondContact O-N 3.43Å; F157-D159 VanDerWaalsContact C-N 3.32Å; F157-D159 PolarHBondContact O-N 2.98Å; D159-I161 PolarHBondContact O-N 3.39Å; D159-I161 VanDerWaalsContact O-N 3.08Å; D159-Q162 VanDerWaalsContact O-CB 3.25Å; D159-Q162 WeakPolarHBondContact O-CB 3.42Å; D159-Q162 PolarHBondContact O-N 2.97Å |
| 160 | S | 91.1 | Very high | 91.4 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 49% | 0.49 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.7 | -27.2 | 179.3 | 81 | 0 | 0 | 0 | 0 | 114 | E156 F157 | E156-S160 PolarHBondContact O-N 3.27Å; E156-S160 VanDerWaalsContact O-N 3.1Å; F157-S160 WeakPolarHBondContact O-CB 3.34Å; F157-S160 PolarHBondContact O-N 2.62Å; F157-S160 VanDerWaalsContact O-N 3.17Å; F157-S160 PolarHBondContact O-OG 3.16Å |
| 161 | I | 91.4 | Very high | 91.3 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -1.4 | 176.8 | 63.4 | 159.2 | 0 | 0 | 0 | 114.2 | N124 T146 F157 L158 D159 S163 A164 R165 | N124-I161 HydrophobicContact CB-CD1 3.85Å; T146-I161 HydrophobicContact CG2-CB 4.21Å; T146-I161 HydrophobicContact CG2-CD1 4.01Å; F157-I161 HydrophobicContact CD1-CD1 4.47Å; F157-I161 HydrophobicContact CE1-CD1 3.7Å; F157-I161 HydrophobicContact CE1-CG1 4.24Å; F157-I161 HydrophobicContact CE1-CG2 4.46Å; F157-I161 HydrophobicContact CE2-CG2 3.89Å; F157-I161 HydrophobicContact CZ-CD1 3.98Å; F157-I161 HydrophobicContact CZ-CG1 4.39Å; F157-I161 HydrophobicContact CZ-CG2 3.79Å; F157-I161 WeakPolarHBondContact O-CG1 3.35Å; F157-I161 PolarHBondContact O-N 2.77Å; L158-I161 HydrophobicContact CD2-CD1 4.43Å; L158-I161 WeakPolarHBondContact O-CG1 3.5Å; D159-I161 PolarHBondContact O-N 3.39Å; D159-I161 VanDerWaalsContact O-N 3.08Å; I161-S163 PolarHBondContact O-N 3.11Å; I161-S163 VanDerWaalsContact O-N 3.17Å; I161-A164 PolarHBondContact O-N 2.99Å; I161-R165 HydrophobicContact CD1-CG 4.34Å; I161-R165 WeakPolarHBondContact O-CG 3.25Å |
| 162 | Q | 89.6 | Confident | 91.2 | Very high | 129 Ų | 129 | 52.5 Ų | 52.5 | 60% | 0.603 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -53.8 | -40.6 | -176.8 | -172.3 | -172.4 | 79.5 | 0 | 0 | 112.2 | L158 D159 A164 R165 | L158-Q162 PolarHBondContact O-N 2.72Å; L158-Q162 VanDerWaalsContact O-N 3.16Å; D159-Q162 VanDerWaalsContact O-CB 3.25Å; D159-Q162 WeakPolarHBondContact O-CB 3.42Å; D159-Q162 PolarHBondContact O-N 2.97Å; Q162-A164 PolarHBondContact O-N 3.38Å; Q162-A164 VanDerWaalsContact O-N 3.08Å; Q162-R165 PolarHBondContact O-N 2.88Å; Q162-R165 VanDerWaalsContact O-N 3.09Å |
| 163 | S | 87.3 | Confident | 91.1 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 63% | 0.629 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -61.1 | -13.3 | 176.6 | 59.4 | 0 | 0 | 0 | 0 | 115.9 | I161 | I161-S163 PolarHBondContact O-N 3.11Å; I161-S163 VanDerWaalsContact O-N 3.17Å |
| 164 | A | 85.9 | Confident | 91 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -109.4 | -1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | N125 T146 I161 Q162 | N125-A164 PolarHBondContact ND2-O 3.16Å; T146-A164 HydrophobicContact CG2-CB 4.05Å; I161-A164 PolarHBondContact O-N 2.99Å; Q162-A164 PolarHBondContact O-N 3.38Å; Q162-A164 VanDerWaalsContact O-N 3.08Å |
| 165 | R | 90.6 | Very high | 90.7 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -99.3 | 140.8 | -174.6 | -67.6 | 171.3 | 78.1 | -166.8 | 5.3 | 111.8 | N124 N125 T146 I161 Q162 A167 E174 | N124-R165 PolarHBondContact O-NE 3.16Å; N124-R165 PolarHBondContact O-NH2 3.33Å; N125-R165 HydrophobicContact CB-CG 4.25Å; N125-R165 WeakPolarHBondContact OD1-CA 3.49Å; T146-R165 HydrophobicContact CG2-CG 4.25Å; I161-R165 HydrophobicContact CD1-CG 4.34Å; I161-R165 WeakPolarHBondContact O-CG 3.25Å; Q162-R165 PolarHBondContact O-N 2.88Å; Q162-R165 VanDerWaalsContact O-N 3.09Å; R165-A167 PolarHBondContact O-N 3.06Å; R165-E174 IonicContact CZ-OE1 2.8Å; R165-E174 IonicContact CZ-OE2 3.6Å; R165-E174 VanDerWaalsContact CZ-OE2 3.23Å; R165-E174 IonicContact NH1-OE2 3.88Å; R165-E174 PolarHBondContact NH1-OE2 3.43Å; R165-E174 VanDerWaalsContact NH2-CD 3.27Å; R165-E174 IonicContact NH2-OE1 3.67Å; R165-E174 PolarHBondContact NH2-OE1 2.85Å; R165-E174 IonicContact NH2-OE2 2.73Å; R165-E174 PolarHBondContact NH2-OE2 3.49Å |
| 166 | E | 89.4 | Confident | 90.5 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 29% | 0.29 | 32% | 0.323 | S | S | . | . | trans | -71.6 | 114.4 | 170.3 | 174.2 | 40.5 | -121.9 | 0 | 0 | 109.9 | N125 C127 S168 C169 | N125-E166 PolarHBondContact OD1-N 3.34Å; C127-E166 HydrophobicContact CB-CB 3.67Å; C127-E166 HydrophobicContact CB-CG 3.93Å; E166-S168 VanDerWaalsContact C-N 3.28Å; E166-S168 WeakPolarHBondContact CG-OG 3.43Å; E166-S168 PolarHBondContact O-N 2.99Å; E166-S168 WeakPolarHBondContact OE1-CB 3.45Å; E166-S168 PolarHBondContact OE1-N 3.46Å; E166-S168 PolarHBondContact OE1-OG 2.97Å; E166-C169 HydrophobicContact CB-CB 4.42Å; E166-C169 HydrophobicContact CG-CB 4.37Å; E166-C169 PolarHBondContact O-N 3.49Å | ||
| 167 | A | 90 | Very high | 90.1 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 63% | 0.628 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -61.8 | -32.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R165 C169 V170 | R165-A167 PolarHBondContact O-N 3.06Å; A167-C169 PolarHBondContact O-N 3.15Å; A167-V170 PolarHBondContact O-N 2.92Å |
| 168 | S | 88.5 | Confident | 89.6 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 56% | 0.559 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -69.5 | -19 | 176.1 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | E166 | E166-S168 VanDerWaalsContact C-N 3.28Å; E166-S168 WeakPolarHBondContact CG-OG 3.43Å; E166-S168 PolarHBondContact O-N 2.99Å; E166-S168 WeakPolarHBondContact OE1-CB 3.45Å; E166-S168 PolarHBondContact OE1-N 3.46Å; E166-S168 PolarHBondContact OE1-OG 2.97Å |
| 169 | C | 89.6 | Confident | 89.3 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 5% | 0.054 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -98.2 | 1.8 | 178.1 | -63.3 | 0 | 0 | 0 | 0 | 113.7 | C127 E166 A167 P171 S194 | C127-C169 HydrophobicContact CB-CB 4.43Å; E166-C169 HydrophobicContact CB-CB 4.42Å; E166-C169 HydrophobicContact CG-CB 4.37Å; E166-C169 PolarHBondContact O-N 3.49Å; A167-C169 PolarHBondContact O-N 3.15Å; C169-P171 WeakPolarHBondContact O-CD 3.5Å; C169-S194 PolarHBondContact O-OG 3.36Å |
| 170 | V | 92.6 | Very high | 89.2 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 17% | 0.17 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -74.7 | 120.6 | 179.7 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | A167 E174 Q175 | A167-V170 PolarHBondContact O-N 2.92Å; V170-E174 HydrophobicContact CG1-CB 4.32Å; V170-Q175 PolarHBondContact O-NE2 3.49Å |
| 171 | P | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -59.4 | 146.4 | -178.6 | -23.2 | 33 | 0 | 0 | 0 | 114.1 | C169 E173 E174 R190 Y193 | C169-P171 WeakPolarHBondContact O-CD 3.5Å; P171-E173 VanDerWaalsContact C-N 3.3Å; P171-E173 HydrophobicContact CB-CG 4.49Å; P171-E173 VanDerWaalsContact CB-OE1 3.29Å; P171-E173 WeakPolarHBondContact CB-OE1 3.23Å; P171-E173 WeakPolarHBondContact CB-OE2 3.47Å; P171-E173 PolarHBondContact O-N 2.88Å; P171-E174 WeakPolarHBondContact CD-OE1 3.47Å; P171-E174 PolarHBondContact O-N 2.82Å; P171-R190 HydrophobicContact CG-CB 3.87Å; P171-R190 HydrophobicContact CG-CG 4.08Å; P171-Y193 HydrophobicContact CB-CD1 4.06Å; P171-Y193 HydrophobicContact CB-CG 4.17Å; P171-Y193 HydrophobicContact CG-CD1 4.13Å; P171-Y193 HydrophobicContact CG-CG 4.39Å | ||
| 172 | P | 92.8 | Very high | 89.2 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 25% | 0.247 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -66.2 | -28.2 | -174.8 | 26.9 | -35.7 | 0 | 0 | 0 | 113.5 | E174 Q175 Y193 | P172-E174 VanDerWaalsContact C-N 3.27Å; P172-E174 PolarHBondContact O-N 3.25Å; P172-Q175 WeakPolarHBondContact O-CB 3.43Å; P172-Q175 PolarHBondContact O-N 3.49Å; P172-Q175 VanDerWaalsContact O-N 3.15Å; P172-Y193 HydrophobicContact CG-CE2 4.18Å |
| 173 | E | 92.2 | Very high | 89.4 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -65.6 | -28.5 | 178.6 | 67.2 | -84.8 | -161.7 | 0 | 0 | 113.2 | P171 Q175 V176 F179 P231 R234 | P171-E173 VanDerWaalsContact C-N 3.3Å; P171-E173 HydrophobicContact CB-CG 4.49Å; P171-E173 VanDerWaalsContact CB-OE1 3.29Å; P171-E173 WeakPolarHBondContact CB-OE1 3.23Å; P171-E173 WeakPolarHBondContact CB-OE2 3.47Å; P171-E173 PolarHBondContact O-N 2.88Å; E173-Q175 PolarHBondContact O-N 2.98Å; E173-V176 PolarHBondContact O-N 3.01Å; E173-F179 HydrophobicContact CB-CD2 4.37Å; E173-F179 HydrophobicContact CB-CE2 4.32Å; E173-F179 HydrophobicContact CG-CD2 4.26Å; E173-F179 HydrophobicContact CG-CE2 3.75Å; E173-F179 WeakPolarHBondContact O-CD2 3.27Å; E173-P231 HydrophobicContact CB-CG 4.16Å; E173-P231 HydrophobicContact CG-CB 4.26Å; E173-P231 HydrophobicContact CG-CG 3.99Å; E173-R234 VanDerWaalsContact CD-NH1 3.34Å; E173-R234 IonicContact OE1-CZ 3.84Å; E173-R234 IonicContact OE1-NH1 3.23Å; E173-R234 PolarHBondContact OE1-NH1 3.38Å; E173-R234 IonicContact OE1-NH2 2.69Å; E173-R234 IonicContact OE2-CZ 2.68Å; E173-R234 IonicContact OE2-NH1 2.91Å; E173-R234 PolarHBondContact OE2-NH1 2.85Å; E173-R234 IonicContact OE2-NH2 2.64Å; E173-R234 PolarHBondContact OE2-NH2 3.46Å |
| 174 | E | 90.9 | Very high | 89.5 | Confident | 34 Ų | 34 | 61.8 Ų | 61.8 | 16% | 0.159 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -73.9 | -15.9 | 176.8 | -62.1 | -175.1 | -143 | 0 | 0 | 112.4 | L158 R165 V170 P171 P172 V176 F179 R190 | L158-E174 HydrophobicContact CD1-CG 4.43Å; R165-E174 IonicContact CZ-OE1 2.8Å; R165-E174 IonicContact CZ-OE2 3.6Å; R165-E174 VanDerWaalsContact CZ-OE2 3.23Å; R165-E174 IonicContact NH1-OE2 3.88Å; R165-E174 PolarHBondContact NH1-OE2 3.43Å; R165-E174 VanDerWaalsContact NH2-CD 3.27Å; R165-E174 IonicContact NH2-OE1 3.67Å; R165-E174 PolarHBondContact NH2-OE1 2.85Å; R165-E174 IonicContact NH2-OE2 2.73Å; R165-E174 PolarHBondContact NH2-OE2 3.49Å; V170-E174 HydrophobicContact CG1-CB 4.32Å; P171-E174 WeakPolarHBondContact CD-OE1 3.47Å; P171-E174 PolarHBondContact O-N 2.82Å; P172-E174 VanDerWaalsContact C-N 3.27Å; P172-E174 PolarHBondContact O-N 3.25Å; E174-V176 VanDerWaalsContact C-N 3.32Å; E174-F179 HydrophobicContact CG-CE1 4.28Å; E174-F179 HydrophobicContact CG-CE2 4.31Å; E174-F179 HydrophobicContact CG-CZ 4.1Å; E174-R190 WeakPolarHBondContact OE1-CD 3.29Å; E174-R190 WeakPolarHBondContact OE1-CG 3.31Å |
| 175 | Q | 87.1 | Confident | 89.7 | Confident | 140 Ų | 140 | 66.5 Ų | 66.5 | 65% | 0.654 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -88.3 | -0.7 | 179.5 | -51.5 | -179.3 | 22.1 | 0 | 0 | 112.4 | V170 P172 E173 | V170-Q175 PolarHBondContact O-NE2 3.49Å; P172-Q175 WeakPolarHBondContact O-CB 3.43Å; P172-Q175 PolarHBondContact O-N 3.49Å; P172-Q175 VanDerWaalsContact O-N 3.15Å; E173-Q175 PolarHBondContact O-N 2.98Å |
| 176 | V | 87.9 | Confident | 89.8 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -92.6 | 130.6 | -178.8 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | E173 E174 G178 F179 | E173-V176 PolarHBondContact O-N 3.01Å; E174-V176 VanDerWaalsContact C-N 3.32Å; V176-G178 PolarHBondContact O-N 3.38Å; V176-F179 PolarHBondContact O-N 3.26Å; V176-F179 VanDerWaalsContact O-N 3.16Å |
| 177 | E | 85 | Confident | 90 | Very high | 199 Ų | 199 | 64.2 Ų | 64.2 | 93% | 0.93 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 128.4 | 175.3 | -69.1 | -171.8 | 170.3 | 0 | 0 | 111.5 | ||
| 178 | G | 82.6 | Confident | 90.3 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 66% | 0.66 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 11.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | V176 Q180 | V176-G178 PolarHBondContact O-N 3.38Å; G178-Q180 PolarHBondContact O-N 3.18Å; G178-Q180 PolarHBondContact O-NE2 3.13Å |
| 179 | F | 86.9 | Confident | 90.7 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | trans | -40.8 | 137.9 | 170.1 | 173.9 | -100.1 | 0 | 0 | 0 | 112.3 | P155 L158 E173 E174 V176 L182 | P155-F179 HydrophobicContact CG-CD1 4.11Å; P155-F179 VanDerWaalsContact CG-O 3.26Å; P155-F179 WeakPolarHBondContact CG-O 3.3Å; L158-F179 HydrophobicContact CD1-CD1 4.45Å; L158-F179 HydrophobicContact CD1-CE1 3.64Å; L158-F179 HydrophobicContact CD1-CZ 4.37Å; E173-F179 HydrophobicContact CB-CD2 4.37Å; E173-F179 HydrophobicContact CB-CE2 4.32Å; E173-F179 HydrophobicContact CG-CD2 4.26Å; E173-F179 HydrophobicContact CG-CE2 3.75Å; E173-F179 WeakPolarHBondContact O-CD2 3.27Å; E174-F179 HydrophobicContact CG-CE1 4.28Å; E174-F179 HydrophobicContact CG-CE2 4.31Å; E174-F179 HydrophobicContact CG-CZ 4.1Å; V176-F179 PolarHBondContact O-N 3.26Å; V176-F179 VanDerWaalsContact O-N 3.16Å; F179-L182 HydrophobicContact CE2-CD2 4.28Å; F179-L182 HydrophobicContact CE2-CG 4.39Å; F179-L182 HydrophobicContact CZ-CG 4.32Å | ||
| 180 | Q | 88.5 | Confident | 90.9 | Very high | 134 Ų | 134 | 57.3 Ų | 57.3 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | trans | -122.7 | 159.1 | -179.5 | -64 | -58.1 | -62 | 0 | 0 | 110.1 | G178 L182 | G178-Q180 PolarHBondContact O-N 3.18Å; G178-Q180 PolarHBondContact O-NE2 3.13Å; Q180-L182 PolarHBondContact O-N 3.1Å | ||
| 181 | I | 91.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 56 Ų | 56 | 33% | 0.333 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 129.5 | 173.5 | -166.1 | 168.1 | 0 | 0 | 0 | 110.9 | F150 S151 T154 | F150-I181 WeakPolarHBondContact O-CD1 3.3Å; S151-I181 WeakPolarHBondContact O-CD1 3.47Å; T154-I181 HydrophobicContact CG2-CD1 4.34Å |
| 182 | L | 92.1 | Very high | 91.3 | Very high | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 146.5 | 178.9 | -66.8 | 176.8 | 0 | 0 | 0 | 110.4 | F179 Q180 A189 R190 P231 | F179-L182 HydrophobicContact CE2-CD2 4.28Å; F179-L182 HydrophobicContact CE2-CG 4.39Å; F179-L182 HydrophobicContact CZ-CG 4.32Å; Q180-L182 PolarHBondContact O-N 3.1Å; L182-A189 HydrophobicContact CD1-CB 4.11Å; L182-R190 HydrophobicContact CD1-CG 4.08Å; L182-P231 HydrophobicContact CD1-CB 4.16Å; L182-P231 HydrophobicContact CD2-CB 4.04Å; L182-P231 HydrophobicContact CD2-CG 3.87Å |
| 183 | P | 92.4 | Very high | 91.6 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 43% | 0.429 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 143.7 | 172.4 | -25.3 | 34.6 | 0 | 0 | 0 | 112.1 | N185 H186 A187 | P183-N185 WeakPolarHBondContact CB-OD1 3.3Å; P183-N185 PolarHBondContact O-N 3.07Å; P183-H186 CarbonylContact O-C 3.6Å; P183-H186 WeakPolarHBondContact O-CA 3.45Å; P183-H186 PolarHBondContact O-N 3.21Å; P183-A187 PolarHBondContact O-N 2.92Å |
| 184 | D | 89 | Confident | 91.8 | Very high | 110 Ų | 110 | 55.7 Ų | 55.7 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -32.8 | -178.5 | -97 | 33 | 0 | 0 | 0 | 114.3 | H186 | D184-H186 VanDerWaalsContact C-N 3.3Å; D184-H186 PolarHBondContact O-N 2.58Å |
| 185 | N | 90.6 | Very high | 92.1 | Very high | 109 Ų | 109 | 54 Ų | 54 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.3 | 179.3 | 74.7 | -64.2 | 0 | 0 | 0 | 114.5 | P183 H188 | P183-N185 WeakPolarHBondContact CB-OD1 3.3Å; P183-N185 PolarHBondContact O-N 3.07Å; N185-H188 PolarHBondContact O-CE1 3.11Å; N185-H188 VanDerWaalsContact O-CE1 3.26Å |
| 186 | H | 94.1 | Very high | 92.6 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 18% | 0.181 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 3.9 | 173.2 | -65.1 | -81.8 | 0 | 0 | 0 | 112.9 | P183 D184 H188 A189 L232 | P183-H186 CarbonylContact O-C 3.6Å; P183-H186 WeakPolarHBondContact O-CA 3.45Å; P183-H186 PolarHBondContact O-N 3.21Å; D184-H186 VanDerWaalsContact C-N 3.3Å; D184-H186 PolarHBondContact O-N 2.58Å; H186-H188 PolarHBondContact O-N 3.21Å; H186-H188 VanDerWaalsContact O-N 3.08Å; H186-A189 WeakPolarHBondContact O-CB 3.39Å; H186-A189 PolarHBondContact O-N 2.75Å; H186-L232 HydrophobicContact CB-CD2 4.01Å; H186-L232 PolarHBondContact CE1-O 3.31Å; H186-L232 PolarHBondContact ND1-O 3.24Å |
| 187 | A | 93 | Very high | 93.1 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -13.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S122 F150 P183 A189 | S122-A187 PolarHBondContact OG-O 2.9Å; F150-A187 HydrophobicContact CB-CB 3.56Å; F150-A187 HydrophobicContact CD1-CB 3.48Å; F150-A187 VanDerWaalsContact CD1-CB 3.48Å; F150-A187 HydrophobicContact CD2-CB 3.88Å; F150-A187 HydrophobicContact CE1-CB 4.03Å; F150-A187 HydrophobicContact CE2-CB 4.39Å; F150-A187 HydrophobicContact CG-CB 3.39Å; F150-A187 HydrophobicContact CZ-CB 4.45Å; P183-A187 PolarHBondContact O-N 2.92Å; A187-A189 VanDerWaalsContact C-N 3.27Å |
| 188 | H | 95.4 | Very high | 93.6 | Very high | 18 Ų | 18 | 35 Ų | 35 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.1 | 167.1 | 61.1 | -96.5 | 0 | 0 | 0 | 113.8 | H116 N185 H186 R190 D191 C192 R234 | H116-H188 HydrophobicContact CB-CB 4.46Å; N185-H188 PolarHBondContact O-CE1 3.11Å; N185-H188 VanDerWaalsContact O-CE1 3.26Å; H186-H188 PolarHBondContact O-N 3.21Å; H186-H188 VanDerWaalsContact O-N 3.08Å; H188-R190 VanDerWaalsContact C-N 3.27Å; H188-R190 PolarHBondContact O-N 2.89Å; H188-R190 VanDerWaalsContact O-N 3.17Å; H188-D191 PolarHBondContact O-N 3.13Å; H188-D191 VanDerWaalsContact O-N 3.13Å; H188-C192 PolarHBondContact O-N 2.9Å; H188-R234 PolarHBondContact NE2-O 3.18Å; H188-R234 VanDerWaalsContact NE2-O 3.07Å |
| 189 | A | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -29.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L182 H186 A187 Y193 P231 R234 | L182-A189 HydrophobicContact CD1-CB 4.11Å; H186-A189 WeakPolarHBondContact O-CB 3.39Å; H186-A189 PolarHBondContact O-N 2.75Å; A187-A189 VanDerWaalsContact C-N 3.27Å; A189-Y193 PolarHBondContact O-N 3.34Å; A189-Y193 VanDerWaalsContact O-N 3.15Å; A189-P231 HydrophobicContact CB-CB 3.8Å; A189-P231 VanDerWaalsContact CB-O 3.29Å; A189-P231 WeakPolarHBondContact CB-O 3.42Å; A189-R234 HydrophobicContact CB-CB 4.11Å; A189-R234 HydrophobicContact CB-CG 4.47Å; A189-R234 VanDerWaalsContact O-CD 3.23Å; A189-R234 WeakPolarHBondContact O-CD 3.47Å; A189-R234 PolarHBondContact O-NH1 3.48Å |
| 190 | R | 94.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -50.7 | 174.8 | -65.9 | 177.6 | -65.9 | -137.8 | -6 | 111.5 | S122 N124 A153 P171 E174 L182 H188 C192 Y193 S194 | S122-R190 PolarHBondContact OG-NH2 2.61Å; N124-R190 PolarHBondContact OD1-NE 2.63Å; A153-R190 VanDerWaalsContact CB-NH1 3.3Å; A153-R190 PolarHBondContact O-NH1 2.82Å; A153-R190 VanDerWaalsContact O-NH1 3.14Å; P171-R190 HydrophobicContact CG-CB 3.87Å; P171-R190 HydrophobicContact CG-CG 4.08Å; E174-R190 WeakPolarHBondContact OE1-CD 3.29Å; E174-R190 WeakPolarHBondContact OE1-CG 3.31Å; L182-R190 HydrophobicContact CD1-CG 4.08Å; H188-R190 VanDerWaalsContact C-N 3.27Å; H188-R190 PolarHBondContact O-N 2.89Å; H188-R190 VanDerWaalsContact O-N 3.17Å; R190-C192 VanDerWaalsContact C-N 3.3Å; R190-C192 PolarHBondContact O-N 2.8Å; R190-Y193 WeakPolarHBondContact O-CB 3.15Å; R190-Y193 PolarHBondContact O-N 3.1Å; R190-Y193 VanDerWaalsContact O-N 3.15Å; R190-S194 PolarHBondContact O-N 2.93Å; R190-S194 PolarHBondContact O-OG 3.47Å; R190-S194 VanDerWaalsContact O-OG 3.13Å |
| 191 | D | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.2 | -32.3 | 178 | -65.5 | -29.4 | 0 | 0 | 0 | 111.6 | H116 S122 H123 N124 V126 H188 Y193 F195 | H116-D191 IonicContact CD2-OD2 3.99Å; H116-D191 IonicContact CE1-OD2 3.86Å; H116-D191 WeakPolarHBondContact NE2-CB 3.34Å; H116-D191 IonicContact NE2-OD2 3.15Å; H116-D191 PolarHBondContact NE2-OD2 3.45Å; S122-D191 WeakPolarHBondContact CA-OD2 3.35Å; H123-D191 PolarHBondContact N-OD1 3.3Å; H123-D191 PolarHBondContact N-OD2 3.38Å; N124-D191 PolarHBondContact N-OD1 2.74Å; V126-D191 HydrophobicContact CG2-CB 4.2Å; H188-D191 PolarHBondContact O-N 3.13Å; H188-D191 VanDerWaalsContact O-N 3.13Å; D191-Y193 VanDerWaalsContact C-N 3.32Å; D191-Y193 PolarHBondContact O-N 3.04Å; D191-F195 WeakPolarHBondContact O-CB 3.45Å; D191-F195 PolarHBondContact O-N 2.99Å |
| 192 | C | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 170.7 | -76.4 | 0 | 0 | 0 | 0 | 112 | H188 R190 G196 L226 R234 P235 L237 | H188-C192 PolarHBondContact O-N 2.9Å; R190-C192 VanDerWaalsContact C-N 3.3Å; R190-C192 PolarHBondContact O-N 2.8Å; C192-G196 PolarHBondContact O-N 3.36Å; C192-L226 HydrophobicContact CB-CG 4.15Å; C192-L226 WeakPolarHBondContact O-CB 3.31Å; C192-L226 WeakPolarHBondContact O-CG 3.5Å; C192-R234 HydrophobicContact CB-CB 4.41Å; C192-P235 PolarHBondContact SG-O 3.31Å; C192-L237 HydrophobicContact CB-CD2 4.41Å; C192-L237 VanDerWaalsContact SG-CG 3.6Å |
| 193 | Y | 97.5 | Very high | 95.1 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 19% | 0.188 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.9 | -52.9 | 177.5 | -173.8 | -87.4 | 0 | 0 | 0 | 111.1 | P171 P172 A189 R190 D191 F195 G196 T197 L226 L227 | P171-Y193 HydrophobicContact CB-CD1 4.06Å; P171-Y193 HydrophobicContact CB-CG 4.17Å; P171-Y193 HydrophobicContact CG-CD1 4.13Å; P171-Y193 HydrophobicContact CG-CG 4.39Å; P172-Y193 HydrophobicContact CG-CE2 4.18Å; A189-Y193 PolarHBondContact O-N 3.34Å; A189-Y193 VanDerWaalsContact O-N 3.15Å; R190-Y193 WeakPolarHBondContact O-CB 3.15Å; R190-Y193 PolarHBondContact O-N 3.1Å; R190-Y193 VanDerWaalsContact O-N 3.15Å; D191-Y193 VanDerWaalsContact C-N 3.32Å; D191-Y193 PolarHBondContact O-N 3.04Å; Y193-F195 VanDerWaalsContact C-N 3.33Å; Y193-F195 PolarHBondContact O-N 3.16Å; Y193-G196 CarbonylContact O-C 3.59Å; Y193-G196 WeakPolarHBondContact O-CA 3.33Å; Y193-G196 PolarHBondContact O-N 2.89Å; Y193-T197 PolarHBondContact O-N 3.49Å; Y193-T197 PolarHBondContact O-OG1 3.15Å; Y193-L226 WeakPolarHBondContact CA-O 3.45Å; Y193-L227 HydrophobicContact CD2-CD2 4.02Å; Y193-L227 HydrophobicContact CE2-CB 4.42Å; Y193-L227 HydrophobicContact CE2-CD2 3.85Å; Y193-L227 HydrophobicContact CG-CD2 4.43Å |
| 194 | S | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.2 | -43.6 | 179.2 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | V126 C169 R190 T197 M198 | V126-S194 CarbonylContact O-C 3.57Å; V126-S194 WeakPolarHBondContact O-CB 3.12Å; C169-S194 PolarHBondContact O-OG 3.36Å; R190-S194 PolarHBondContact O-N 2.93Å; R190-S194 PolarHBondContact O-OG 3.47Å; R190-S194 VanDerWaalsContact O-OG 3.13Å; S194-T197 PolarHBondContact O-N 3.48Å; S194-M198 WeakPolarHBondContact O-CB 3.46Å; S194-M198 PolarHBondContact O-N 2.9Å |
| 195 | F | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 172.7 | -179.8 | -96.5 | 0 | 0 | 0 | 112 | I105 V108 L109 L112 V126 D191 Y193 T197 M198 V199 L226 L237 L240 | I105-F195 HydrophobicContact CG2-CE2 4.35Å; I105-F195 HydrophobicContact CG2-CZ 3.77Å; V108-F195 HydrophobicContact CB-CE2 4.26Å; V108-F195 HydrophobicContact CG1-CD2 4.06Å; V108-F195 HydrophobicContact CG1-CE2 3.99Å; L109-F195 HydrophobicContact CB-CE2 4.29Å; L109-F195 HydrophobicContact CB-CZ 3.86Å; L109-F195 HydrophobicContact CD1-CE1 3.86Å; L109-F195 HydrophobicContact CD1-CZ 3.9Å; L109-F195 HydrophobicContact CG-CZ 4.38Å; L112-F195 HydrophobicContact CD1-CB 3.98Å; L112-F195 HydrophobicContact CD1-CD2 3.6Å; L112-F195 HydrophobicContact CD1-CE2 4.4Å; L112-F195 HydrophobicContact CD1-CG 4Å; V126-F195 HydrophobicContact CG1-CB 4.06Å; V126-F195 HydrophobicContact CG1-CD2 4.23Å; D191-F195 WeakPolarHBondContact O-CB 3.45Å; D191-F195 PolarHBondContact O-N 2.99Å; Y193-F195 VanDerWaalsContact C-N 3.33Å; Y193-F195 PolarHBondContact O-N 3.16Å; F195-T197 PolarHBondContact O-N 3.41Å; F195-M198 HydrophobicContact CD2-CE 3.8Å; F195-M198 HydrophobicContact CE2-CE 3.92Å; F195-M198 PolarHBondContact O-N 3.34Å; F195-V199 HydrophobicContact CD1-CG2 4.1Å; F195-V199 HydrophobicContact CD2-CG2 4.45Å; F195-V199 HydrophobicContact CE1-CG2 3.67Å; F195-V199 HydrophobicContact CE2-CG2 4.06Å; F195-V199 HydrophobicContact CG-CG2 4.47Å; F195-V199 HydrophobicContact CZ-CG2 3.65Å; F195-V199 WeakPolarHBondContact O-CG2 3.34Å; F195-V199 PolarHBondContact O-N 2.9Å; F195-L226 HydrophobicContact CD1-CD2 3.78Å; F195-L226 HydrophobicContact CE1-CD2 4.34Å; F195-L237 HydrophobicContact CD1-CD2 3.86Å; F195-L237 HydrophobicContact CE1-CD2 4.42Å; F195-L237 HydrophobicContact CG-CD2 4.42Å; F195-L240 HydrophobicContact CE1-CD2 3.91Å |
| 196 | G | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57 | -46.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C192 Y193 V199 E200 | C192-G196 PolarHBondContact O-N 3.36Å; Y193-G196 CarbonylContact O-C 3.59Å; Y193-G196 WeakPolarHBondContact O-CA 3.33Å; Y193-G196 PolarHBondContact O-N 2.89Å; G196-V199 PolarHBondContact O-N 3.45Å; G196-E200 WeakPolarHBondContact O-CB 3.5Å; G196-E200 PolarHBondContact O-N 2.97Å |
| 197 | T | 97 | Very high | 94.2 | Very high | 30 Ų | 30 | 22.7 Ų | 22.7 | 18% | 0.184 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.8 | -49.8 | 0 | 0 | 0 | 0 | 111.3 | Y193 S194 F195 V199 E200 A201 | Y193-T197 PolarHBondContact O-N 3.49Å; Y193-T197 PolarHBondContact O-OG1 3.15Å; S194-T197 PolarHBondContact O-N 3.48Å; F195-T197 PolarHBondContact O-N 3.41Å; T197-V199 VanDerWaalsContact C-N 3.34Å; T197-V199 PolarHBondContact O-N 2.85Å; T197-E200 PolarHBondContact O-N 3.03Å; T197-A201 PolarHBondContact O-N 3.45Å |
| 198 | M | 96.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 177.4 | -171 | -166.7 | 74.1 | 0 | 0 | 112 | V108 V126 L128 V131 S194 F195 L202 | V108-M198 HydrophobicContact CG1-CE 4.13Å; V126-M198 HydrophobicContact CG1-CE 4.45Å; V126-M198 HydrophobicContact CG1-SD 4.08Å; L128-M198 HydrophobicContact CD2-CG 3.79Å; L128-M198 HydrophobicContact CG-CG 4.26Å; V131-M198 HydrophobicContact CG2-SD 4Å; S194-M198 WeakPolarHBondContact O-CB 3.46Å; S194-M198 PolarHBondContact O-N 2.9Å; F195-M198 HydrophobicContact CD2-CE 3.8Å; F195-M198 HydrophobicContact CE2-CE 3.92Å; F195-M198 PolarHBondContact O-N 3.34Å; M198-L202 WeakPolarHBondContact O-CG 3.47Å; M198-L202 PolarHBondContact O-N 2.9Å |
| 199 | V | 96.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.3 | -40.2 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | I105 F195 G196 T197 A201 L202 V203 L218 L222 | I105-V199 HydrophobicContact CD1-CG1 4.45Å; I105-V199 HydrophobicContact CG1-CG2 4.45Å; I105-V199 HydrophobicContact CG2-CG2 3.64Å; F195-V199 HydrophobicContact CD1-CG2 4.1Å; F195-V199 HydrophobicContact CD2-CG2 4.45Å; F195-V199 HydrophobicContact CE1-CG2 3.67Å; F195-V199 HydrophobicContact CE2-CG2 4.06Å; F195-V199 HydrophobicContact CG-CG2 4.47Å; F195-V199 HydrophobicContact CZ-CG2 3.65Å; F195-V199 WeakPolarHBondContact O-CG2 3.34Å; F195-V199 PolarHBondContact O-N 2.9Å; G196-V199 PolarHBondContact O-N 3.45Å; T197-V199 VanDerWaalsContact C-N 3.34Å; T197-V199 PolarHBondContact O-N 2.85Å; V199-A201 VanDerWaalsContact C-N 3.25Å; V199-A201 PolarHBondContact O-N 3.3Å; V199-L202 WeakPolarHBondContact O-CA 3.39Å; V199-L202 PolarHBondContact O-N 3.01Å; V199-V203 HydrophobicContact CG1-CG2 4.35Å; V199-V203 WeakPolarHBondContact O-CG2 3.31Å; V199-V203 PolarHBondContact O-N 3.05Å; V199-L218 HydrophobicContact CG1-CD2 3.93Å; V199-L222 HydrophobicContact CB-CD1 4.1Å; V199-L222 HydrophobicContact CG1-CD1 3.79Å |
| 200 | E | 94.3 | Very high | 92.2 | Very high | 69 Ų | 69 | 34.3 Ų | 34.3 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.6 | -34.9 | 175.7 | -174.7 | 162.8 | -116.9 | 0 | 0 | 112.1 | G196 T197 L202 P204 Q223 L227 | G196-E200 WeakPolarHBondContact O-CB 3.5Å; G196-E200 PolarHBondContact O-N 2.97Å; T197-E200 PolarHBondContact O-N 3.03Å; E200-L202 VanDerWaalsContact C-N 3.31Å; E200-L202 PolarHBondContact O-N 3.1Å; E200-P204 VanDerWaalsContact O-CD 3.31Å; E200-P204 WeakPolarHBondContact O-CD 3.48Å; E200-Q223 PolarHBondContact OE1-NE2 2.91Å; E200-Q223 PolarHBondContact OE2-NE2 2.92Å; E200-L227 HydrophobicContact CB-CD1 4.44Å; E200-L227 WeakPolarHBondContact OE2-CD1 3.45Å |
| 201 | A | 94.3 | Very high | 91.8 | Very high | 58 Ų | 58 | 37.1 Ų | 37.1 | 48% | 0.479 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.4 | -24.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T197 V199 | T197-A201 PolarHBondContact O-N 3.45Å; V199-A201 VanDerWaalsContact C-N 3.25Å; V199-A201 PolarHBondContact O-N 3.3Å |
| 202 | L | 95 | Very high | 91.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -92.2 | -25.4 | 180 | -69.8 | 168.8 | 0 | 0 | 0 | 113.6 | L93 I101 I105 L128 W139 M198 V199 E200 P204 L205 | L93-L202 HydrophobicContact CD2-CD2 3.65Å; I101-L202 HydrophobicContact CG2-CB 4.37Å; I101-L202 HydrophobicContact CG2-CD2 4.38Å; I105-L202 HydrophobicContact CD1-CB 4.14Å; I105-L202 HydrophobicContact CD1-CD1 3.95Å; I105-L202 HydrophobicContact CG1-CD1 3.77Å; L128-L202 HydrophobicContact CD2-CD1 4.06Å; L128-L202 HydrophobicContact CD2-CD2 3.92Å; L128-L202 HydrophobicContact CD2-CG 4.04Å; W139-L202 HydrophobicContact CH2-CD1 3.89Å; W139-L202 HydrophobicContact CZ3-CD1 3.91Å; M198-L202 WeakPolarHBondContact O-CG 3.47Å; M198-L202 PolarHBondContact O-N 2.9Å; V199-L202 WeakPolarHBondContact O-CA 3.39Å; V199-L202 PolarHBondContact O-N 3.01Å; E200-L202 VanDerWaalsContact C-N 3.31Å; E200-L202 PolarHBondContact O-N 3.1Å; L202-P204 VanDerWaalsContact C-CD 3.44Å; L202-P204 VanDerWaalsContact C-N 3.33Å; L202-L205 HydrophobicContact CD2-CD1 4.02Å; L202-L205 WeakPolarHBondContact O-CB 3.43Å; L202-L205 PolarHBondContact O-N 2.59Å |
| 203 | V | 92.3 | Very high | 91 | Very high | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.097 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -51.3 | -40.3 | 178.6 | 163.2 | 0 | 0 | 0 | 0 | 113.9 | V199 L205 L206 S215 L218 | V199-V203 HydrophobicContact CG1-CG2 4.35Å; V199-V203 WeakPolarHBondContact O-CG2 3.31Å; V199-V203 PolarHBondContact O-N 3.05Å; V203-L205 PolarHBondContact O-N 3.44Å; V203-L206 WeakPolarHBondContact O-CB 3.49Å; V203-L206 PolarHBondContact O-N 2.99Å; V203-S215 WeakPolarHBondContact CG1-OG 3.26Å; V203-L218 HydrophobicContact CG2-CD2 3.91Å |
| 204 | P | 91 | Very high | 90.6 | Very high | 88 Ų | 88 | 51.8 Ų | 51.8 | 57% | 0.571 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -60.4 | -25 | 175.8 | -26.9 | 36.4 | 0 | 0 | 0 | 115 | E200 L202 L206 | E200-P204 VanDerWaalsContact O-CD 3.31Å; E200-P204 WeakPolarHBondContact O-CD 3.48Å; L202-P204 VanDerWaalsContact C-CD 3.44Å; L202-P204 VanDerWaalsContact C-N 3.33Å; P204-L206 PolarHBondContact O-N 2.96Å |
| 205 | L | 90.9 | Very high | 90.3 | Very high | 77 Ų | 77 | 52.3 Ų | 52.3 | 40% | 0.403 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -78.3 | -2.5 | 177.2 | -54.4 | 179.7 | 0 | 0 | 0 | 112.9 | L93 I101 L202 V203 | L93-L205 HydrophobicContact CB-CD1 4.33Å; L93-L205 HydrophobicContact CD2-CD1 4.1Å; I101-L205 HydrophobicContact CD1-CB 3.99Å; I101-L205 HydrophobicContact CD1-CD1 4.16Å; L202-L205 HydrophobicContact CD2-CD1 4.02Å; L202-L205 WeakPolarHBondContact O-CB 3.43Å; L202-L205 PolarHBondContact O-N 2.59Å; V203-L205 PolarHBondContact O-N 3.44Å |
| 206 | L | 89.4 | Confident | 90 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -114.7 | -1.1 | -173.7 | -58 | 177.9 | 0 | 0 | 0 | 113.5 | P98 I101 V203 P204 D208 Y209 V210 F245 | P98-L206 HydrophobicContact CB-CD2 3.73Å; P98-L206 WeakPolarHBondContact O-CD2 3.2Å; I101-L206 HydrophobicContact CB-CD2 3.93Å; I101-L206 HydrophobicContact CG2-CD1 4.39Å; I101-L206 HydrophobicContact CG2-CD2 3.84Å; I101-L206 HydrophobicContact CG2-CG 4.32Å; V203-L206 WeakPolarHBondContact O-CB 3.49Å; V203-L206 PolarHBondContact O-N 2.99Å; P204-L206 PolarHBondContact O-N 2.96Å; L206-D208 PolarHBondContact O-N 3.06Å; L206-D208 VanDerWaalsContact O-N 3.13Å; L206-Y209 PolarHBondContact O-N 3.2Å; L206-Y209 VanDerWaalsContact O-N 3.16Å; L206-V210 HydrophobicContact CB-CB 4.5Å; L206-V210 HydrophobicContact CB-CG2 3.99Å; L206-V210 PolarHBondContact O-N 2.98Å; L206-F245 HydrophobicContact CD1-CE2 3.72Å; L206-F245 HydrophobicContact CD1-CZ 3.48Å; L206-F245 VanDerWaalsContact CD1-CZ 3.48Å |
| 207 | S | 75.9 | Confident | 89.7 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 42% | 0.42 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.1 | -170.9 | 57 | 0 | 0 | 0 | 0 | 114.9 | ||
| 208 | D | 78.6 | Confident | 89.6 | Confident | 161 Ų | 161 | 54.8 Ų | 54.8 | 86% | 0.861 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -5.5 | -171.3 | -65.4 | 19.2 | 0 | 0 | 0 | 112 | L206 | L206-D208 PolarHBondContact O-N 3.06Å; L206-D208 VanDerWaalsContact O-N 3.13Å |
| 209 | Y | 81.3 | Confident | 89.4 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 35% | 0.349 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -48.3 | 180 | 174.6 | -101.7 | 0 | 0 | 0 | 112.4 | P98 E99 L206 | P98-Y209 VanDerWaalsContact CB-CB 3.45Å; P98-Y209 HydrophobicContact CB-CD1 3.68Å; P98-Y209 HydrophobicContact CB-CD2 4.36Å; P98-Y209 HydrophobicContact CB-CG 3.57Å; P98-Y209 HydrophobicContact CG-CG 4.26Å; E99-Y209 HydrophobicContact CG-CE1 4.16Å; E99-Y209 HydrophobicContact CG-CE2 3.89Å; E99-Y209 WeakPolarHBondContact CG-OH 3.45Å; E99-Y209 WeakPolarHBondContact OE1-CE2 3.44Å; L206-Y209 PolarHBondContact O-N 3.2Å; L206-Y209 VanDerWaalsContact O-N 3.16Å |
| 210 | V | 82.9 | Confident | 89.3 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 9% | 0.085 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -83.6 | 129.8 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | L206 Q212 L214 F245 | L206-V210 HydrophobicContact CB-CB 4.5Å; L206-V210 HydrophobicContact CB-CG2 3.99Å; L206-V210 PolarHBondContact O-N 2.98Å; V210-Q212 PolarHBondContact O-N 3.04Å; V210-L214 HydrophobicContact CG1-CB 3.55Å; V210-F245 HydrophobicContact CG1-CD2 4.22Å; V210-F245 HydrophobicContact CG1-CE2 4.43Å; V210-F245 HydrophobicContact CG2-CD2 4.47Å; V210-F245 HydrophobicContact CG2-CE2 4.05Å |
| 211 | S | 87.3 | Confident | 89.4 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 42% | 0.42 | 34% | 0.342 | S | S | . | . | trans | -57.6 | 143.9 | 177.7 | 74.8 | 0 | 0 | 0 | 0 | 111 | E213 L214 S215 | S211-E213 PolarHBondContact O-N 3.35Å; S211-L214 PolarHBondContact O-N 3.17Å; S211-L214 WeakPolarHBondContact OG-CG 3.36Å; S211-L214 PolarHBondContact OG-N 3.11Å; S211-S215 PolarHBondContact O-N 3.32Å | ||
| 212 | Q | 87.7 | Confident | 89.4 | Confident | 124 Ų | 124 | 59 Ų | 59 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -53.6 | -35.6 | -178.4 | -171.7 | 65.1 | 52.3 | 0 | 0 | 111.8 | V210 S215 D216 | V210-Q212 PolarHBondContact O-N 3.04Å; Q212-S215 PolarHBondContact O-N 2.96Å; Q212-D216 PolarHBondContact NE2-OD1 2.73Å; Q212-D216 WeakPolarHBondContact O-CB 3.44Å; Q212-D216 PolarHBondContact O-N 3.46Å |
| 213 | E | 89.6 | Confident | 89.4 | Confident | 166 Ų | 166 | 63.5 Ų | 63.5 | 78% | 0.776 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 175.8 | -176.3 | 173 | -163.4 | 0 | 0 | 113.4 | S211 G217 | S211-E213 PolarHBondContact O-N 3.35Å; E213-G217 PolarHBondContact O-N 3.34Å |
| 214 | L | 89.9 | Confident | 89.5 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73 | -36.8 | 176.3 | -72.9 | 173.1 | 0 | 0 | 0 | 112 | V210 S211 G217 L218 S244 | V210-L214 HydrophobicContact CG1-CB 3.55Å; S211-L214 PolarHBondContact O-N 3.17Å; S211-L214 WeakPolarHBondContact OG-CG 3.36Å; S211-L214 PolarHBondContact OG-N 3.11Å; L214-G217 PolarHBondContact O-N 2.85Å; L214-L218 PolarHBondContact O-N 3.01Å; L214-S244 WeakPolarHBondContact CD2-OG 3.43Å |
| 215 | S | 90.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.7 | -48.3 | 175.5 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | V203 S211 Q212 G217 L218 T219 | V203-S215 WeakPolarHBondContact CG1-OG 3.26Å; S211-S215 PolarHBondContact O-N 3.32Å; Q212-S215 PolarHBondContact O-N 2.96Å; S215-G217 VanDerWaalsContact C-N 3.3Å; S215-G217 PolarHBondContact O-N 3.36Å; S215-L218 PolarHBondContact O-N 2.82Å; S215-T219 WeakPolarHBondContact O-CB 3.46Å; S215-T219 PolarHBondContact O-N 2.88Å; S215-T219 PolarHBondContact O-OG1 2.78Å |
| 216 | D | 90.8 | Very high | 90 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 31% | 0.31 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.4 | -44.1 | 168.9 | -95.9 | 43.3 | 0 | 0 | 0 | 111.8 | Q212 T219 K220 | Q212-D216 PolarHBondContact NE2-OD1 2.73Å; Q212-D216 WeakPolarHBondContact O-CB 3.44Å; Q212-D216 PolarHBondContact O-N 3.46Å; D216-T219 PolarHBondContact O-N 3.27Å; D216-K220 WeakPolarHBondContact O-CB 3.38Å; D216-K220 VanDerWaalsContact O-CD 3.26Å; D216-K220 WeakPolarHBondContact O-CD 3.36Å; D216-K220 WeakPolarHBondContact O-CG 3.34Å; D216-K220 PolarHBondContact O-N 3.47Å; D216-K220 IonicContact OD2-NZ 3.73Å; D216-K220 PolarHBondContact OD2-NZ 2.93Å |
| 217 | G | 92.7 | Very high | 90.3 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 25% | 0.247 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E213 L214 S215 T221 | E213-G217 PolarHBondContact O-N 3.34Å; L214-G217 PolarHBondContact O-N 2.85Å; S215-G217 VanDerWaalsContact C-N 3.3Å; S215-G217 PolarHBondContact O-N 3.36Å; G217-T221 WeakPolarHBondContact O-CB 3.47Å; G217-T221 PolarHBondContact O-N 3.49Å; G217-T221 PolarHBondContact O-OG1 2.94Å |
| 218 | L | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -51.3 | 171.3 | 177.6 | 63.7 | 0 | 0 | 0 | 110.6 | V199 V203 L214 S215 K220 T221 L222 F245 | V199-L218 HydrophobicContact CG1-CD2 3.93Å; V203-L218 HydrophobicContact CG2-CD2 3.91Å; L214-L218 PolarHBondContact O-N 3.01Å; S215-L218 PolarHBondContact O-N 2.82Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 3.07Å; L218-T221 CarbonylContact O-C 3.55Å; L218-T221 WeakPolarHBondContact O-CA 3.35Å; L218-T221 WeakPolarHBondContact O-CB 3.43Å; L218-T221 PolarHBondContact O-N 3.32Å; L218-L222 HydrophobicContact CD1-CD1 4.43Å; L218-L222 HydrophobicContact CD1-CD2 4.28Å; L218-L222 HydrophobicContact CD1-CG 4.12Å; L218-L222 HydrophobicContact CG-CD1 4.13Å; L218-L222 HydrophobicContact CG-CG 4.22Å; L218-L222 WeakPolarHBondContact O-CG 3.24Å; L218-L222 PolarHBondContact O-N 3.32Å; L218-F245 HydrophobicContact CB-CD2 4.38Å; L218-F245 HydrophobicContact CD2-CD1 4.01Å; L218-F245 HydrophobicContact CD2-CD2 3.64Å; L218-F245 HydrophobicContact CD2-CE1 3.99Å; L218-F245 HydrophobicContact CD2-CE2 3.6Å; L218-F245 HydrophobicContact CD2-CG 3.83Å; L218-F245 HydrophobicContact CD2-CZ 3.78Å |
| 219 | T | 93.7 | Very high | 91.9 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.7 | -41.9 | -178.2 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | S215 D216 L222 Q223 | S215-T219 WeakPolarHBondContact O-CB 3.46Å; S215-T219 PolarHBondContact O-N 2.88Å; S215-T219 PolarHBondContact O-OG1 2.78Å; D216-T219 PolarHBondContact O-N 3.27Å; T219-L222 PolarHBondContact O-N 2.75Å; T219-Q223 HydrophobicContact CG2-CG 4.46Å; T219-Q223 WeakPolarHBondContact O-CB 3.22Å; T219-Q223 WeakPolarHBondContact O-CG 3.34Å; T219-Q223 PolarHBondContact O-N 3.27Å |
| 220 | K | 94.4 | Very high | 92.5 | Very high | 127 Ų | 127 | 55.1 Ų | 55.1 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 174.1 | -70.4 | 158.4 | -162.9 | 164.7 | 0 | 112.1 | D216 L218 A224 | D216-K220 WeakPolarHBondContact O-CB 3.38Å; D216-K220 VanDerWaalsContact O-CD 3.26Å; D216-K220 WeakPolarHBondContact O-CD 3.36Å; D216-K220 WeakPolarHBondContact O-CG 3.34Å; D216-K220 PolarHBondContact O-N 3.47Å; D216-K220 IonicContact OD2-NZ 3.73Å; D216-K220 PolarHBondContact OD2-NZ 2.93Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 3.07Å; K220-A224 VanDerWaalsContact O-CB 3.25Å; K220-A224 WeakPolarHBondContact O-CB 3.41Å; K220-A224 PolarHBondContact O-N 3.28Å |
| 221 | T | 94.9 | Very high | 93 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 173.8 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | G217 L218 G225 L240 H243 | G217-T221 WeakPolarHBondContact O-CB 3.47Å; G217-T221 PolarHBondContact O-N 3.49Å; G217-T221 PolarHBondContact O-OG1 2.94Å; L218-T221 CarbonylContact O-C 3.55Å; L218-T221 WeakPolarHBondContact O-CA 3.35Å; L218-T221 WeakPolarHBondContact O-CB 3.43Å; L218-T221 PolarHBondContact O-N 3.32Å; T221-G225 PolarHBondContact O-N 3.13Å; T221-L240 HydrophobicContact CG2-CD1 3.65Å; T221-H243 PolarHBondContact OG1-NE2 3.35Å |
| 222 | L | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -64.1 | -53.1 | 176.1 | -65 | 178.9 | 0 | 0 | 0 | 110.7 | V199 L218 T219 A224 G225 L226 L227 | V199-L222 HydrophobicContact CB-CD1 4.1Å; V199-L222 HydrophobicContact CG1-CD1 3.79Å; L218-L222 HydrophobicContact CD1-CD1 4.43Å; L218-L222 HydrophobicContact CD1-CD2 4.28Å; L218-L222 HydrophobicContact CD1-CG 4.12Å; L218-L222 HydrophobicContact CG-CD1 4.13Å; L218-L222 HydrophobicContact CG-CG 4.22Å; L218-L222 WeakPolarHBondContact O-CG 3.24Å; L218-L222 PolarHBondContact O-N 3.32Å; T219-L222 PolarHBondContact O-N 2.75Å; L222-A224 PolarHBondContact O-N 3.16Å; L222-G225 CarbonylContact O-C 3.44Å; L222-G225 PolarHBondContact O-N 2.73Å; L222-L226 HydrophobicContact CD2-CB 4.38Å; L222-L226 HydrophobicContact CD2-CD2 3.77Å; L222-L226 PolarHBondContact O-N 2.95Å; L222-L227 HydrophobicContact CB-CD1 4.15Å; L222-L227 PolarHBondContact O-N 2.82Å |
| 223 | Q | 94.8 | Very high | 93.7 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -64.6 | -36.7 | -177.1 | -72.6 | -69.7 | -15.6 | 0 | 0 | 113.4 | E200 T219 L227 | E200-Q223 PolarHBondContact OE1-NE2 2.91Å; E200-Q223 PolarHBondContact OE2-NE2 2.92Å; T219-Q223 HydrophobicContact CG2-CG 4.46Å; T219-Q223 WeakPolarHBondContact O-CB 3.22Å; T219-Q223 WeakPolarHBondContact O-CG 3.34Å; T219-Q223 PolarHBondContact O-N 3.27Å; Q223-L227 HydrophobicContact CG-CD1 4.45Å |
| 224 | A | 94.4 | Very high | 94 | Very high | 71 Ų | 71 | 45.1 Ų | 45.1 | 59% | 0.587 | 27% | 0.268 | S | S | * | . | I | π-helix | trans | -76.8 | -32.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | K220 L222 N228 | K220-A224 VanDerWaalsContact O-CB 3.25Å; K220-A224 WeakPolarHBondContact O-CB 3.41Å; K220-A224 PolarHBondContact O-N 3.28Å; L222-A224 PolarHBondContact O-N 3.16Å; A224-N228 PolarHBondContact O-ND2 3Å; A224-N228 VanDerWaalsContact O-ND2 3.1Å |
| 225 | G | 95.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 44 Ų | 44 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -107.9 | -76.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T221 L222 N228 R234 | T221-G225 PolarHBondContact O-N 3.13Å; L222-G225 CarbonylContact O-C 3.44Å; L222-G225 PolarHBondContact O-N 2.73Å; G225-N228 WeakPolarHBondContact O-CB 3.48Å; G225-R234 WeakPolarHBondContact O-CG 3.44Å |
| 226 | L | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -70.9 | -39.1 | -169.3 | -89.4 | 60.4 | 0 | 0 | 0 | 113.4 | C192 Y193 F195 L222 N228 R234 P235 L237 L240 | C192-L226 HydrophobicContact CB-CG 4.15Å; C192-L226 WeakPolarHBondContact O-CB 3.31Å; C192-L226 WeakPolarHBondContact O-CG 3.5Å; Y193-L226 WeakPolarHBondContact CA-O 3.45Å; F195-L226 HydrophobicContact CD1-CD2 3.78Å; F195-L226 HydrophobicContact CE1-CD2 4.34Å; L222-L226 HydrophobicContact CD2-CB 4.38Å; L222-L226 HydrophobicContact CD2-CD2 3.77Å; L222-L226 PolarHBondContact O-N 2.95Å; L226-N228 VanDerWaalsContact C-N 3.31Å; L226-R234 VanDerWaalsContact O-CD 3.25Å; L226-R234 WeakPolarHBondContact O-CD 3.25Å; L226-R234 PolarHBondContact O-NE 3.35Å; L226-P235 HydrophobicContact CD1-CG 4.15Å; L226-L237 HydrophobicContact CD2-CD2 3.79Å; L226-L237 HydrophobicContact CG-CD2 4.24Å; L226-L240 HydrophobicContact CD2-CD2 4.19Å |
| 227 | L | 96.4 | Very high | 94.8 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 6.9 | -178.3 | -68.5 | 170.1 | 0 | 0 | 0 | 113.2 | Y193 E200 L222 Q223 S229 | Y193-L227 HydrophobicContact CD2-CD2 4.02Å; Y193-L227 HydrophobicContact CE2-CB 4.42Å; Y193-L227 HydrophobicContact CE2-CD2 3.85Å; Y193-L227 HydrophobicContact CG-CD2 4.43Å; E200-L227 HydrophobicContact CB-CD1 4.44Å; E200-L227 WeakPolarHBondContact OE2-CD1 3.45Å; L222-L227 HydrophobicContact CB-CD1 4.15Å; L222-L227 PolarHBondContact O-N 2.82Å; Q223-L227 HydrophobicContact CG-CD1 4.45Å; L227-S229 PolarHBondContact O-N 3.4Å |
| 228 | N | 95.4 | Very high | 95 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | trans | -60.6 | 134.3 | -179.1 | -164.9 | -44 | 0 | 0 | 0 | 111.2 | A224 G225 L226 D230 R234 | A224-N228 PolarHBondContact O-ND2 3Å; A224-N228 VanDerWaalsContact O-ND2 3.1Å; G225-N228 WeakPolarHBondContact O-CB 3.48Å; L226-N228 VanDerWaalsContact C-N 3.31Å; N228-D230 PolarHBondContact O-N 2.92Å; N228-D230 PolarHBondContact OD1-N 2.96Å; N228-D230 VanDerWaalsContact OD1-N 3.1Å; N228-R234 HydrophobicContact CB-CG 4.35Å; N228-R234 VanDerWaalsContact O-CZ 3.28Å; N228-R234 PolarHBondContact O-NE 3.3Å; N228-R234 PolarHBondContact O-NH2 2.83Å | ||
| 229 | S | 92.4 | Very high | 95 | Very high | 95 Ų | 95 | 47.1 Ų | 47.1 | 66% | 0.664 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -63.4 | -24.9 | -179.1 | -49.7 | 0 | 0 | 0 | 0 | 113.6 | L227 P231 | L227-S229 PolarHBondContact O-N 3.4Å; S229-P231 WeakPolarHBondContact O-CD 3.38Å |
| 230 | D | 93.6 | Very high | 95.1 | Very high | 74 Ų | 74 | 45.3 Ų | 45.3 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | trans | -88.6 | 114.6 | 172.4 | 177.4 | 10.5 | 0 | 0 | 0 | 110.5 | N228 L232 A233 | N228-D230 PolarHBondContact O-N 2.92Å; N228-D230 PolarHBondContact OD1-N 2.96Å; N228-D230 VanDerWaalsContact OD1-N 3.1Å; D230-L232 PolarHBondContact O-N 3.03Å; D230-L232 WeakPolarHBondContact OD1-CB 3.37Å; D230-L232 PolarHBondContact OD1-N 2.99Å; D230-A233 HydrophobicContact CB-CB 4.01Å; D230-A233 WeakPolarHBondContact O-CB 3.32Å; D230-A233 PolarHBondContact O-N 2.97Å; D230-A233 VanDerWaalsContact O-N 3.13Å | ||
| 231 | P | 94.5 | Very high | 95.1 | Very high | 16 Ų | 16 | 41 Ų | 41 | 10% | 0.104 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -62.7 | -25.1 | 176.3 | 27.4 | -35.8 | 0 | 0 | 0 | 113.2 | E173 L182 A189 S229 A233 R234 | E173-P231 HydrophobicContact CB-CG 4.16Å; E173-P231 HydrophobicContact CG-CB 4.26Å; E173-P231 HydrophobicContact CG-CG 3.99Å; L182-P231 HydrophobicContact CD1-CB 4.16Å; L182-P231 HydrophobicContact CD2-CB 4.04Å; L182-P231 HydrophobicContact CD2-CG 3.87Å; A189-P231 HydrophobicContact CB-CB 3.8Å; A189-P231 VanDerWaalsContact CB-O 3.29Å; A189-P231 WeakPolarHBondContact CB-O 3.42Å; S229-P231 WeakPolarHBondContact O-CD 3.38Å; P231-A233 VanDerWaalsContact C-N 3.3Å; P231-R234 PolarHBondContact O-N 3.31Å |
| 232 | L | 94.5 | Very high | 94.9 | Very high | 86 Ų | 86 | 44.1 Ų | 44.1 | 45% | 0.45 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -73.7 | -24.5 | 177.6 | -55 | -179.3 | 0 | 0 | 0 | 112.1 | H186 D230 R234 | H186-L232 HydrophobicContact CB-CD2 4.01Å; H186-L232 PolarHBondContact CE1-O 3.31Å; H186-L232 PolarHBondContact ND1-O 3.24Å; D230-L232 PolarHBondContact O-N 3.03Å; D230-L232 WeakPolarHBondContact OD1-CB 3.37Å; D230-L232 PolarHBondContact OD1-N 2.99Å; L232-R234 VanDerWaalsContact C-N 3.35Å |
| 233 | A | 94.7 | Very high | 94.8 | Very high | 48 Ų | 48 | 45.6 Ų | 45.6 | 40% | 0.397 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -79.9 | -12.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D230 P231 P235 | D230-A233 HydrophobicContact CB-CB 4.01Å; D230-A233 WeakPolarHBondContact O-CB 3.32Å; D230-A233 PolarHBondContact O-N 2.97Å; D230-A233 VanDerWaalsContact O-N 3.13Å; P231-A233 VanDerWaalsContact C-N 3.3Å; A233-P235 WeakPolarHBondContact O-CD 3.31Å |
| 234 | R | 96.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 118.7 | -175.6 | -59.4 | -172.6 | -167.5 | 133.3 | 15.7 | 111.8 | E173 H188 A189 C192 G225 L226 N228 P231 L232 | E173-R234 VanDerWaalsContact CD-NH1 3.34Å; E173-R234 IonicContact OE1-CZ 3.84Å; E173-R234 IonicContact OE1-NH1 3.23Å; E173-R234 PolarHBondContact OE1-NH1 3.38Å; E173-R234 IonicContact OE1-NH2 2.69Å; E173-R234 IonicContact OE2-CZ 2.68Å; E173-R234 IonicContact OE2-NH1 2.91Å; E173-R234 PolarHBondContact OE2-NH1 2.85Å; E173-R234 IonicContact OE2-NH2 2.64Å; E173-R234 PolarHBondContact OE2-NH2 3.46Å; H188-R234 PolarHBondContact NE2-O 3.18Å; H188-R234 VanDerWaalsContact NE2-O 3.07Å; A189-R234 HydrophobicContact CB-CB 4.11Å; A189-R234 HydrophobicContact CB-CG 4.47Å; A189-R234 VanDerWaalsContact O-CD 3.23Å; A189-R234 WeakPolarHBondContact O-CD 3.47Å; A189-R234 PolarHBondContact O-NH1 3.48Å; C192-R234 HydrophobicContact CB-CB 4.41Å; G225-R234 WeakPolarHBondContact O-CG 3.44Å; L226-R234 VanDerWaalsContact O-CD 3.25Å; L226-R234 WeakPolarHBondContact O-CD 3.25Å; L226-R234 PolarHBondContact O-NE 3.35Å; N228-R234 HydrophobicContact CB-CG 4.35Å; N228-R234 VanDerWaalsContact O-CZ 3.28Å; N228-R234 PolarHBondContact O-NE 3.3Å; N228-R234 PolarHBondContact O-NH2 2.83Å; P231-R234 PolarHBondContact O-N 3.31Å; L232-R234 VanDerWaalsContact C-N 3.35Å |
| 235 | P | 95.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 41 Ų | 41 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 158.5 | 178.3 | 30.9 | -35.6 | 0 | 0 | 0 | 111.5 | C192 L226 A233 | C192-P235 PolarHBondContact SG-O 3.31Å; L226-P235 HydrophobicContact CD1-CG 4.15Å; A233-P235 WeakPolarHBondContact O-CD 3.31Å |
| 236 | P | 95.9 | Very high | 94.5 | Very high | 62 Ų | 62 | 40.9 Ų | 40.9 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -66.7 | 142.5 | 171.5 | 29.9 | -35.2 | 0 | 0 | 0 | 110.6 | S238 S239 | P236-S238 PolarHBondContact O-N 3.25Å; P236-S239 PolarHBondContact O-N 2.65Å; P236-S239 PolarHBondContact O-OG 3.21Å; P236-S239 VanDerWaalsContact O-OG 3.06Å |
| 237 | L | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -55.5 | -24.9 | -175.6 | -74.1 | 179.2 | 0 | 0 | 0 | 114.8 | L109 L112 V113 C192 F195 L226 S239 L240 | L109-L237 HydrophobicContact CD1-CB 3.8Å; L109-L237 HydrophobicContact CD1-CD1 4.38Å; L109-L237 HydrophobicContact CD1-CD2 4.03Å; L109-L237 HydrophobicContact CD1-CG 4.28Å; L112-L237 HydrophobicContact CB-CD1 3.4Å; L112-L237 HydrophobicContact CD1-CD1 3.73Å; L112-L237 HydrophobicContact CG-CD1 4.19Å; V113-L237 HydrophobicContact CG2-CB 3.72Å; C192-L237 HydrophobicContact CB-CD2 4.41Å; C192-L237 VanDerWaalsContact SG-CG 3.6Å; F195-L237 HydrophobicContact CD1-CD2 3.86Å; F195-L237 HydrophobicContact CE1-CD2 4.42Å; F195-L237 HydrophobicContact CG-CD2 4.42Å; L226-L237 HydrophobicContact CD2-CD2 3.79Å; L226-L237 HydrophobicContact CG-CD2 4.24Å; L237-S239 PolarHBondContact O-N 2.78Å; L237-L240 WeakPolarHBondContact O-CB 3.28Å; L237-L240 PolarHBondContact O-N 3.18Å |
| 238 | S | 96.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -63.8 | -18.4 | 176.5 | 43.4 | 0 | 0 | 0 | 0 | 113.8 | E117 P236 L240 | E117-S238 WeakPolarHBondContact OE1-CB 3.49Å; E117-S238 PolarHBondContact OE1-OG 3.39Å; P236-S238 PolarHBondContact O-N 3.25Å; S238-L240 VanDerWaalsContact C-N 3.26Å; S238-L240 PolarHBondContact O-N 2.99Å |
| 239 | S | 94.4 | Very high | 94 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -66.2 | -29.2 | 169.6 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | P236 L237 | P236-S239 PolarHBondContact O-N 2.65Å; P236-S239 PolarHBondContact O-OG 3.21Å; P236-S239 VanDerWaalsContact O-OG 3.06Å; L237-S239 PolarHBondContact O-N 2.78Å |
| 240 | L | 95.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -82.2 | -20 | -176 | -159.5 | 74.1 | 0 | 0 | 0 | 112.8 | L109 F195 T221 L226 L237 S238 N242 H243 F246 | L109-L240 HydrophobicContact CD1-CB 4.41Å; L109-L240 HydrophobicContact CD1-CD2 4.36Å; L109-L240 HydrophobicContact CD2-CB 4.19Å; L109-L240 HydrophobicContact CD2-CD2 4.28Å; L109-L240 HydrophobicContact CD2-CG 4.43Å; F195-L240 HydrophobicContact CE1-CD2 3.91Å; T221-L240 HydrophobicContact CG2-CD1 3.65Å; L226-L240 HydrophobicContact CD2-CD2 4.19Å; L237-L240 WeakPolarHBondContact O-CB 3.28Å; L237-L240 PolarHBondContact O-N 3.18Å; S238-L240 VanDerWaalsContact C-N 3.26Å; S238-L240 PolarHBondContact O-N 2.99Å; L240-N242 PolarHBondContact O-N 3.19Å; L240-H243 HydrophobicContact CD1-CB 4.15Å; L240-H243 HydrophobicContact CG-CB 4.4Å; L240-H243 VanDerWaalsContact O-CB 3.24Å; L240-H243 WeakPolarHBondContact O-CB 3.48Å; L240-H243 PolarHBondContact O-N 3.02Å; L240-F246 HydrophobicContact CD2-CE2 4.3Å; L240-F246 HydrophobicContact CG-CE2 4.15Å; L240-F246 WeakPolarHBondContact O-CD2 3.44Å |
| 241 | L | 93.8 | Very high | 94.2 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -55.9 | -24 | 178.3 | -72 | 171.3 | 0 | 0 | 0 | 113.8 | Y106 L109 Q110 V113 | Y106-L241 HydrophobicContact CD2-CD2 4.45Å; Y106-L241 HydrophobicContact CE2-CD2 3.77Å; L109-L241 HydrophobicContact CD2-CD2 3.81Å; L109-L241 HydrophobicContact CD2-CG 4.28Å; L109-L241 HydrophobicContact CG-CD2 3.83Å; L109-L241 HydrophobicContact CG-CG 4.39Å; Q110-L241 HydrophobicContact CG-CD2 4.32Å; V113-L241 HydrophobicContact CG1-CD1 4.29Å; V113-L241 HydrophobicContact CG2-CD1 4.21Å; V113-L241 HydrophobicContact CG2-CG 4.48Å |
| 242 | N | 91.3 | Very high | 94.2 | Very high | 117 Ų | 117 | 42 Ų | 42 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -99.5 | 2.2 | 179.6 | -72.4 | -59.7 | 0 | 0 | 0 | 114.3 | L240 R247 | L240-N242 PolarHBondContact O-N 3.19Å; N242-R247 PolarHBondContact OD1-NH2 3.05Å |
| 243 | H | 93.8 | Very high | 94.3 | Very high | 31 Ų | 31 | 38 Ų | 38 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | trans | -63.1 | 144.4 | -177.7 | -167.2 | -101.8 | 0 | 0 | 0 | 111.9 | T221 L240 F245 F246 | T221-H243 PolarHBondContact OG1-NE2 3.35Å; L240-H243 HydrophobicContact CD1-CB 4.15Å; L240-H243 HydrophobicContact CG-CB 4.4Å; L240-H243 VanDerWaalsContact O-CB 3.24Å; L240-H243 WeakPolarHBondContact O-CB 3.48Å; L240-H243 PolarHBondContact O-N 3.02Å; H243-F245 WeakPolarHBondContact ND1-CB 3.41Å; H243-F245 PolarHBondContact ND1-N 3.05Å; H243-F245 PolarHBondContact O-N 2.92Å; H243-F245 VanDerWaalsContact O-N 3.15Å; H243-F246 HydrophobicContact CB-CD2 4.31Å; H243-F246 PolarHBondContact O-N 3.22Å | ||
| 244 | S | 92.7 | Very high | 94.2 | Very high | 61 Ų | 61 | 35.7 Ų | 35.7 | 43% | 0.427 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -57.8 | -31 | -175.1 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | L214 F246 R247 | L214-S244 WeakPolarHBondContact CD2-OG 3.43Å; S244-F246 PolarHBondContact O-N 2.98Å; S244-R247 WeakPolarHBondContact O-CB 3.33Å; S244-R247 PolarHBondContact O-N 3.4Å |
| 245 | F | 92.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -52.8 | -33.2 | 173.5 | 177.3 | -97.2 | 0 | 0 | 0 | 114 | C102 I105 L206 V210 L218 H243 R247 | C102-F245 HydrophobicContact CB-CZ 4.46Å; I105-F245 HydrophobicContact CD1-CE1 4.5Å; I105-F245 HydrophobicContact CD1-CZ 4.39Å; L206-F245 HydrophobicContact CD1-CE2 3.72Å; L206-F245 HydrophobicContact CD1-CZ 3.48Å; L206-F245 VanDerWaalsContact CD1-CZ 3.48Å; V210-F245 HydrophobicContact CG1-CD2 4.22Å; V210-F245 HydrophobicContact CG1-CE2 4.43Å; V210-F245 HydrophobicContact CG2-CD2 4.47Å; V210-F245 HydrophobicContact CG2-CE2 4.05Å; L218-F245 HydrophobicContact CB-CD2 4.38Å; L218-F245 HydrophobicContact CD2-CD1 4.01Å; L218-F245 HydrophobicContact CD2-CD2 3.64Å; L218-F245 HydrophobicContact CD2-CE1 3.99Å; L218-F245 HydrophobicContact CD2-CE2 3.6Å; L218-F245 HydrophobicContact CD2-CG 3.83Å; L218-F245 HydrophobicContact CD2-CZ 3.78Å; H243-F245 WeakPolarHBondContact ND1-CB 3.41Å; H243-F245 PolarHBondContact ND1-N 3.05Å; H243-F245 PolarHBondContact O-N 2.92Å; H243-F245 VanDerWaalsContact O-N 3.15Å; F245-R247 VanDerWaalsContact C-N 3.32Å |
| 246 | F | 93.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -90.3 | 9.2 | 178.3 | -58.7 | -62.8 | 0 | 0 | 0 | 113.6 | I105 Y106 L109 L240 H243 S244 L251 | I105-F246 HydrophobicContact CB-CE1 4.35Å; I105-F246 HydrophobicContact CG2-CE1 3.89Å; I105-F246 HydrophobicContact CG2-CZ 3.84Å; Y106-F246 HydrophobicContact CD2-CB 3.93Å; Y106-F246 AromaticContact CD2-CD1 3.63Å; Y106-F246 HydrophobicContact CD2-CD1 3.63Å; Y106-F246 HydrophobicContact CD2-CD2 4.04Å; Y106-F246 HydrophobicContact CD2-CE1 4.08Å; Y106-F246 HydrophobicContact CD2-CE2 4.47Å; Y106-F246 AromaticContact CD2-CG 3.6Å; Y106-F246 HydrophobicContact CD2-CG 3.6Å; Y106-F246 HydrophobicContact CD2-CZ 4.49Å; Y106-F246 HydrophobicContact CE2-CB 4.23Å; Y106-F246 HydrophobicContact CE2-CG 4.25Å; Y106-F246 HydrophobicContact CG-CD1 4.1Å; Y106-F246 HydrophobicContact CG-CE1 4.47Å; Y106-F246 HydrophobicContact CG-CG 4.48Å; L109-F246 HydrophobicContact CD2-CD2 4.35Å; L109-F246 HydrophobicContact CD2-CE2 3.59Å; L109-F246 HydrophobicContact CD2-CZ 3.86Å; L240-F246 HydrophobicContact CD2-CE2 4.3Å; L240-F246 HydrophobicContact CG-CE2 4.15Å; L240-F246 WeakPolarHBondContact O-CD2 3.44Å; H243-F246 HydrophobicContact CB-CD2 4.31Å; H243-F246 PolarHBondContact O-N 3.22Å; S244-F246 PolarHBondContact O-N 2.98Å; F246-L251 HydrophobicContact CB-CD1 4.09Å; F246-L251 HydrophobicContact CD1-CD1 3.99Å |
| 247 | R | 91.4 | Very high | 94.1 | Very high | 137 Ų | 137 | 35.1 Ų | 35.1 | 52% | 0.517 | 19% | 0.185 | S | C | . | . | trans | -100.8 | 74.2 | 176.7 | -56.1 | -60.6 | 178.1 | 171.4 | -5.6 | 109.8 | N242 S244 F245 E252 | N242-R247 PolarHBondContact OD1-NH2 3.05Å; S244-R247 WeakPolarHBondContact O-CB 3.33Å; S244-R247 PolarHBondContact O-N 3.4Å; F245-R247 VanDerWaalsContact C-N 3.32Å; R247-E252 IonicContact NH1-OE1 2.71Å | ||
| 248 | N | 91.6 | Very high | 94 | Very high | 20 Ų | 20 | 39.9 Ų | 39.9 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -128.6 | 156.3 | 175.1 | 64.1 | 69 | 0 | 0 | 0 | 110.8 | C102 F250 L251 E252 | C102-N248 PolarHBondContact SG-ND2 3.03Å; N248-F250 VanDerWaalsContact C-N 3.31Å; N248-F250 PolarHBondContact O-N 3.45Å; N248-F250 PolarHBondContact OD1-N 3.44Å; N248-L251 PolarHBondContact O-N 2.93Å; N248-L251 WeakPolarHBondContact OD1-CB 3.39Å; N248-L251 PolarHBondContact OD1-N 3.21Å; N248-E252 PolarHBondContact O-N 3.45Å |
| 249 | D | 93.9 | Very high | 93.9 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.7 | -39.9 | -173.6 | -73.1 | -46.3 | 0 | 0 | 0 | 113.1 | E252 I253 R278 L282 | D249-E252 PolarHBondContact O-N 2.88Å; D249-I253 HydrophobicContact CB-CD1 4.42Å; D249-I253 VanDerWaalsContact O-CB 3.29Å; D249-I253 WeakPolarHBondContact O-CB 3.44Å; D249-I253 WeakPolarHBondContact O-CD1 3.4Å; D249-I253 WeakPolarHBondContact O-CG1 3.23Å; D249-I253 PolarHBondContact O-N 3.12Å; D249-R278 HydrophobicContact CB-CB 4.35Å; D249-R278 IonicContact OD1-CZ 2.77Å; D249-R278 IonicContact OD1-NE 2.75Å; D249-R278 PolarHBondContact OD1-NE 2.95Å; D249-R278 IonicContact OD1-NH2 2.58Å; D249-R278 PolarHBondContact OD1-NH2 3.02Å; D249-L282 HydrophobicContact CB-CD2 4.48Å |
| 250 | F | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -50.1 | 179.8 | -179.5 | -115.4 | 0 | 0 | 0 | 112.1 | E99 N248 E252 L254 L282 L286 R290 L291 | E99-F250 HydrophobicContact CB-CB 4.2Å; E99-F250 HydrophobicContact CB-CD1 3.79Å; E99-F250 HydrophobicContact CB-CE1 4.39Å; E99-F250 HydrophobicContact CB-CG 4.08Å; E99-F250 HydrophobicContact CG-CB 4.36Å; N248-F250 VanDerWaalsContact C-N 3.31Å; N248-F250 PolarHBondContact O-N 3.45Å; N248-F250 PolarHBondContact OD1-N 3.44Å; F250-E252 PolarHBondContact O-N 3.32Å; F250-L254 HydrophobicContact CD1-CD1 4.09Å; F250-L254 HydrophobicContact CD2-CD1 4.44Å; F250-L254 HydrophobicContact CE1-CD1 3.62Å; F250-L254 HydrophobicContact CE2-CD1 3.99Å; F250-L254 HydrophobicContact CE2-CG 4.25Å; F250-L254 HydrophobicContact CG-CD1 4.49Å; F250-L254 HydrophobicContact CZ-CD1 3.56Å; F250-L254 HydrophobicContact CZ-CG 4.31Å; F250-L254 WeakPolarHBondContact O-CB 3.48Å; F250-L254 VanDerWaalsContact O-CG 3.31Å; F250-L254 WeakPolarHBondContact O-CG 3.33Å; F250-L254 PolarHBondContact O-N 3.14Å; F250-L282 HydrophobicContact CB-CD1 4.31Å; F250-L282 HydrophobicContact CB-CD2 4.16Å; F250-L282 HydrophobicContact CD2-CD1 4.31Å; F250-L286 HydrophobicContact CD2-CD1 4.42Å; F250-L286 HydrophobicContact CD2-CD2 3.72Å; F250-L286 HydrophobicContact CD2-CG 4.05Å; F250-L286 HydrophobicContact CE1-CD1 4.25Å; F250-L286 HydrophobicContact CE2-CD1 3.82Å; F250-L286 HydrophobicContact CE2-CD2 3.96Å; F250-L286 HydrophobicContact CE2-CG 3.77Å; F250-L286 HydrophobicContact CG-CD2 4.02Å; F250-L286 HydrophobicContact CZ-CD1 3.71Å; F250-L286 HydrophobicContact CZ-CD2 4.44Å; F250-L286 HydrophobicContact CZ-CG 4.2Å; F250-R290 HydrophobicContact CE2-CB 3.72Å; F250-R290 HydrophobicContact CE2-CG 4.35Å; F250-R290 HydrophobicContact CZ-CB 3.72Å; F250-R290 HydrophobicContact CZ-CG 3.96Å; F250-L291 HydrophobicContact CD2-CD1 4.33Å; F250-L291 HydrophobicContact CD2-CD2 3.93Å; F250-L291 HydrophobicContact CD2-CG 4.22Å; F250-L291 HydrophobicContact CE2-CD2 3.73Å; F250-L291 HydrophobicContact CE2-CG 4.02Å |
| 251 | L | 94.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | 176.8 | -92.1 | 178.6 | 0 | 0 | 0 | 112.6 | Y106 F246 N248 L254 N255 | Y106-L251 HydrophobicContact CD1-CD1 4.42Å; Y106-L251 HydrophobicContact CD1-CD2 3.72Å; Y106-L251 HydrophobicContact CD2-CD1 4.49Å; Y106-L251 HydrophobicContact CE1-CD2 4.46Å; Y106-L251 HydrophobicContact CG-CD1 4.05Å; Y106-L251 HydrophobicContact CG-CD2 4.12Å; F246-L251 HydrophobicContact CB-CD1 4.09Å; F246-L251 HydrophobicContact CD1-CD1 3.99Å; N248-L251 PolarHBondContact O-N 2.93Å; N248-L251 WeakPolarHBondContact OD1-CB 3.39Å; N248-L251 PolarHBondContact OD1-N 3.21Å; L251-L254 PolarHBondContact O-N 3.5Å; L251-N255 VanDerWaalsContact O-CB 3.25Å; L251-N255 WeakPolarHBondContact O-CB 3.42Å; L251-N255 PolarHBondContact O-N 2.8Å; L251-N255 PolarHBondContact O-ND2 2.93Å; L251-N255 VanDerWaalsContact O-ND2 3.09Å |
| 252 | E | 94.4 | Very high | 94.1 | Very high | 66 Ų | 66 | 47.1 Ų | 47.1 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.9 | -40 | 179.7 | -71.2 | -168.3 | 173.1 | 0 | 0 | 112.6 | R247 N248 D249 F250 N255 F256 R278 | R247-E252 IonicContact NH1-OE1 2.71Å; N248-E252 PolarHBondContact O-N 3.45Å; D249-E252 PolarHBondContact O-N 2.88Å; F250-E252 PolarHBondContact O-N 3.32Å; E252-N255 PolarHBondContact O-N 3.39Å; E252-F256 VanDerWaalsContact O-CB 3.32Å; E252-F256 WeakPolarHBondContact O-CB 3.28Å; E252-F256 PolarHBondContact O-N 3.04Å; E252-R278 IonicContact OE2-CZ 2.72Å; E252-R278 IonicContact OE2-NH1 2.7Å; E252-R278 IonicContact OE2-NH2 3.74Å; E252-R278 PolarHBondContact OE2-NH2 3.19Å |
| 253 | I | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -48.8 | 171.5 | -70.1 | 163.6 | 0 | 0 | 0 | 110.1 | D249 N255 F256 L257 F271 L275 R278 V279 L282 L291 | D249-I253 HydrophobicContact CB-CD1 4.42Å; D249-I253 VanDerWaalsContact O-CB 3.29Å; D249-I253 WeakPolarHBondContact O-CB 3.44Å; D249-I253 WeakPolarHBondContact O-CD1 3.4Å; D249-I253 WeakPolarHBondContact O-CG1 3.23Å; D249-I253 PolarHBondContact O-N 3.12Å; I253-N255 PolarHBondContact O-N 2.93Å; I253-F256 PolarHBondContact O-N 2.71Å; I253-L257 HydrophobicContact CG2-CD1 3.88Å; I253-L257 HydrophobicContact CG2-CG 4.5Å; I253-L257 WeakPolarHBondContact O-CB 3.29Å; I253-L257 VanDerWaalsContact O-CG 3.3Å; I253-L257 WeakPolarHBondContact O-CG 3.32Å; I253-L257 PolarHBondContact O-N 2.91Å; I253-F271 HydrophobicContact CG1-CE2 4.27Å; I253-F271 HydrophobicContact CG1-CZ 4.41Å; I253-F271 HydrophobicContact CG2-CZ 4.31Å; I253-L275 HydrophobicContact CD1-CD1 3.92Å; I253-L275 HydrophobicContact CG1-CD1 3.79Å; I253-L275 HydrophobicContact CG2-CD1 4.15Å; I253-R278 HydrophobicContact CD1-CB 3.96Å; I253-V279 HydrophobicContact CD1-CG2 3.73Å; I253-L282 HydrophobicContact CD1-CD1 4.32Å; I253-L291 HydrophobicContact CG2-CD1 4.46Å; I253-L291 HydrophobicContact CG2-CD2 3.99Å |
| 254 | L | 94.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 177.7 | -76.3 | -178.1 | 0 | 0 | 0 | 112.2 | F250 L251 L257 K258 L291 K294 | F250-L254 HydrophobicContact CD1-CD1 4.09Å; F250-L254 HydrophobicContact CD2-CD1 4.44Å; F250-L254 HydrophobicContact CE1-CD1 3.62Å; F250-L254 HydrophobicContact CE2-CD1 3.99Å; F250-L254 HydrophobicContact CE2-CG 4.25Å; F250-L254 HydrophobicContact CG-CD1 4.49Å; F250-L254 HydrophobicContact CZ-CD1 3.56Å; F250-L254 HydrophobicContact CZ-CG 4.31Å; F250-L254 WeakPolarHBondContact O-CB 3.48Å; F250-L254 VanDerWaalsContact O-CG 3.31Å; F250-L254 WeakPolarHBondContact O-CG 3.33Å; F250-L254 PolarHBondContact O-N 3.14Å; L251-L254 PolarHBondContact O-N 3.5Å; L254-L257 PolarHBondContact O-N 2.85Å; L254-K258 WeakPolarHBondContact O-CB 3.42Å; L254-K258 WeakPolarHBondContact O-CG 3.38Å; L254-K258 PolarHBondContact O-N 3.01Å; L254-L291 HydrophobicContact CD2-CD2 3.8Å; L254-L291 HydrophobicContact CG-CD2 4.2Å; L254-K294 HydrophobicContact CD2-CD 3.45Å; L254-K294 VanDerWaalsContact CD2-CD 3.45Å |
| 255 | N | 93.6 | Very high | 94.7 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.23 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -74.4 | -30.5 | -177.8 | -69.5 | -30.2 | 0 | 0 | 0 | 112.6 | L251 E252 I253 K258 S259 | L251-N255 VanDerWaalsContact O-CB 3.25Å; L251-N255 WeakPolarHBondContact O-CB 3.42Å; L251-N255 PolarHBondContact O-N 2.8Å; L251-N255 PolarHBondContact O-ND2 2.93Å; L251-N255 VanDerWaalsContact O-ND2 3.09Å; E252-N255 PolarHBondContact O-N 3.39Å; I253-N255 PolarHBondContact O-N 2.93Å; N255-K258 PolarHBondContact OD1-NZ 2.99Å; N255-S259 PolarHBondContact O-N 3.09Å; N255-S259 PolarHBondContact O-OG 2.98Å |
| 256 | F | 96.5 | Very high | 95 | Very high | 27 Ų | 27 | 56.1 Ų | 56.1 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.8 | -49.4 | 169.3 | -165.3 | -80.4 | 0 | 0 | 0 | 110.9 | E252 I253 K258 S259 L260 K263 E267 F271 | E252-F256 VanDerWaalsContact O-CB 3.32Å; E252-F256 WeakPolarHBondContact O-CB 3.28Å; E252-F256 PolarHBondContact O-N 3.04Å; I253-F256 PolarHBondContact O-N 2.71Å; F256-K258 PolarHBondContact O-N 3.3Å; F256-S259 CarbonylContact O-C 3.36Å; F256-S259 PolarHBondContact O-N 3.47Å; F256-S259 PolarHBondContact O-OG 3.32Å; F256-L260 HydrophobicContact CD1-CD1 4.31Å; F256-L260 HydrophobicContact CE1-CD1 3.78Å; F256-L260 PolarHBondContact O-N 2.89Å; F256-K263 HydrophobicContact CD2-CD 4.29Å; F256-K263 HydrophobicContact CD2-CG 4.47Å; F256-K263 HydrophobicContact CE1-CG 4.15Å; F256-K263 HydrophobicContact CE2-CD 3.73Å; F256-K263 HydrophobicContact CE2-CG 3.93Å; F256-K263 HydrophobicContact CZ-CB 4.12Å; F256-K263 HydrophobicContact CZ-CD 4.02Å; F256-K263 HydrophobicContact CZ-CG 3.74Å; F256-E267 HydrophobicContact CE2-CB 4.33Å; F256-E267 HydrophobicContact CZ-CB 4.31Å; F256-F271 HydrophobicContact CB-CD2 4.04Å; F256-F271 HydrophobicContact CB-CE2 3.59Å; F256-F271 HydrophobicContact CB-CZ 3.9Å; F256-F271 HydrophobicContact CD1-CB 4.22Å; F256-F271 AromaticContact CD1-CD1 3.45Å; F256-F271 HydrophobicContact CD1-CD1 3.45Å; F256-F271 VanDerWaalsContact CD1-CD1 3.45Å; F256-F271 AromaticContact CD1-CD2 3.7Å; F256-F271 HydrophobicContact CD1-CD2 3.7Å; F256-F271 AromaticContact CD1-CE1 3.55Å; F256-F271 HydrophobicContact CD1-CE1 3.55Å; F256-F271 AromaticContact CD1-CE2 3.8Å; F256-F271 HydrophobicContact CD1-CE2 3.8Å; F256-F271 AromaticContact CD1-CG 3.51Å; F256-F271 HydrophobicContact CD1-CG 3.51Å; F256-F271 AromaticContact CD1-CZ 3.72Å; F256-F271 HydrophobicContact CD1-CZ 3.72Å; F256-F271 HydrophobicContact CD2-CB 4.33Å; F256-F271 AromaticContact CD2-CD2 3.76Å; F256-F271 HydrophobicContact CD2-CD2 3.76Å; F256-F271 HydrophobicContact CD2-CE2 4.23Å; F256-F271 HydrophobicContact CD2-CG 4.07Å; F256-F271 HydrophobicContact CE1-CB 3.68Å; F256-F271 AromaticContact CE1-CD1 3.43Å; F256-F271 HydrophobicContact CE1-CD1 3.43Å; F256-F271 VanDerWaalsContact CE1-CD1 3.43Å; F256-F271 HydrophobicContact CE1-CD2 4.07Å; F256-F271 HydrophobicContact CE1-CE1 4Å; F256-F271 AromaticContact CE1-CG 3.45Å; F256-F271 HydrophobicContact CE1-CG 3.45Å; F256-F271 VanDerWaalsContact CE1-CG 3.45Å; F256-F271 HydrophobicContact CE2-CB 3.81Å; F256-F271 HydrophobicContact CE2-CD2 4.12Å; F256-F271 HydrophobicContact CE2-CG 4.02Å; F256-F271 HydrophobicContact CG-CD1 4.18Å; F256-F271 AromaticContact CG-CD2 3.54Å; F256-F271 HydrophobicContact CG-CD2 3.54Å; F256-F271 HydrophobicContact CG-CE1 4.23Å; F256-F271 AromaticContact CG-CE2 3.61Å; F256-F271 HydrophobicContact CG-CE2 3.61Å; F256-F271 AromaticContact CG-CG 3.84Å; F256-F271 HydrophobicContact CG-CG 3.84Å; F256-F271 AromaticContact CG-CZ 3.95Å; F256-F271 HydrophobicContact CG-CZ 3.95Å; F256-F271 HydrophobicContact CZ-CB 3.46Å; F256-F271 VanDerWaalsContact CZ-CB 3.46Å; F256-F271 HydrophobicContact CZ-CD1 4.15Å; F256-F271 HydrophobicContact CZ-CD2 4.28Å; F256-F271 AromaticContact CZ-CG 3.72Å; F256-F271 HydrophobicContact CZ-CG 3.72Å |
| 257 | L | 95.6 | Very high | 95.2 | Very high | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.131 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 177.8 | -67.5 | 172.1 | 0 | 0 | 0 | 112.4 | I253 L254 S259 L260 F271 F272 K294 L295 V300 | I253-L257 HydrophobicContact CG2-CD1 3.88Å; I253-L257 HydrophobicContact CG2-CG 4.5Å; I253-L257 WeakPolarHBondContact O-CB 3.29Å; I253-L257 VanDerWaalsContact O-CG 3.3Å; I253-L257 WeakPolarHBondContact O-CG 3.32Å; I253-L257 PolarHBondContact O-N 2.91Å; L254-L257 PolarHBondContact O-N 2.85Å; L257-S259 PolarHBondContact O-N 3.35Å; L257-L260 PolarHBondContact O-N 3.31Å; L257-F271 HydrophobicContact CD2-CE1 4.22Å; L257-F271 HydrophobicContact CG-CZ 4.43Å; L257-F272 HydrophobicContact CD2-CZ 4.48Å; L257-K294 HydrophobicContact CD1-CB 4.13Å; L257-L295 HydrophobicContact CD1-CD2 3.78Å; L257-L295 HydrophobicContact CD1-CG 4.2Å; L257-L295 HydrophobicContact CD2-CD2 4.21Å; L257-V300 HydrophobicContact CD2-CG2 4.16Å |
| 258 | K | 92.6 | Very high | 95.4 | Very high | 101 Ų | 101 | 54 Ų | 54 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.8 | -24.3 | 171.8 | -78.7 | 172.4 | -178.5 | 176.8 | 0 | 113.2 | D107 L254 N255 F256 | D107-K258 IonicContact OD1-NZ 3.66Å; L254-K258 WeakPolarHBondContact O-CB 3.42Å; L254-K258 WeakPolarHBondContact O-CG 3.38Å; L254-K258 PolarHBondContact O-N 3.01Å; N255-K258 PolarHBondContact OD1-NZ 2.99Å; F256-K258 PolarHBondContact O-N 3.3Å |
| 259 | S | 94.5 | Very high | 95.7 | Very high | 34 Ų | 34 | 56 Ų | 56 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 11.4 | -175.8 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | N255 F256 L257 T261 L262 | N255-S259 PolarHBondContact O-N 3.09Å; N255-S259 PolarHBondContact O-OG 2.98Å; F256-S259 CarbonylContact O-C 3.36Å; F256-S259 PolarHBondContact O-N 3.47Å; F256-S259 PolarHBondContact O-OG 3.32Å; L257-S259 PolarHBondContact O-N 3.35Å; S259-T261 VanDerWaalsContact C-N 3.26Å; S259-T261 PolarHBondContact O-N 2.91Å; S259-T261 VanDerWaalsContact O-N 3.08Å; S259-L262 WeakPolarHBondContact O-CA 3.47Å; S259-L262 WeakPolarHBondContact O-CB 3.5Å; S259-L262 PolarHBondContact O-N 3.19Å |
| 260 | L | 95.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -54.4 | -34.4 | -170 | -179.3 | 62.9 | 0 | 0 | 0 | 114.5 | F256 L257 L262 K263 K268 F272 L299 V300 | F256-L260 HydrophobicContact CD1-CD1 4.31Å; F256-L260 HydrophobicContact CE1-CD1 3.78Å; F256-L260 PolarHBondContact O-N 2.89Å; L257-L260 PolarHBondContact O-N 3.31Å; L260-L262 PolarHBondContact O-N 2.94Å; L260-K263 PolarHBondContact O-N 3.32Å; L260-K268 HydrophobicContact CD1-CG 3.96Å; L260-K268 WeakPolarHBondContact O-CE 3.16Å; L260-F272 HydrophobicContact CD1-CE2 3.91Å; L260-F272 HydrophobicContact CD1-CZ 4.12Å; L260-F272 HydrophobicContact CD2-CZ 4.39Å; L260-L299 HydrophobicContact CD2-CB 4.06Å; L260-V300 HydrophobicContact CD2-CG2 4.1Å |
| 261 | T | 95 | Very high | 96 | Very high | 102 Ų | 102 | 60.5 Ų | 60.5 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -74.3 | -11.5 | 177.9 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | S259 L299 | S259-T261 VanDerWaalsContact C-N 3.26Å; S259-T261 PolarHBondContact O-N 2.91Å; S259-T261 VanDerWaalsContact O-N 3.08Å; T261-L299 HydrophobicContact CG2-CD1 3.84Å; T261-L299 HydrophobicContact CG2-CD2 4.26Å |
| 262 | L | 96.9 | Very high | 96.1 | Very high | 147 Ų | 147 | 60.5 Ų | 60.5 | 77% | 0.77 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -101.5 | -0.5 | 177.9 | -53.9 | 178.7 | 0 | 0 | 0 | 112.6 | S259 L260 | S259-L262 WeakPolarHBondContact O-CA 3.47Å; S259-L262 WeakPolarHBondContact O-CB 3.5Å; S259-L262 PolarHBondContact O-N 3.19Å; L260-L262 PolarHBondContact O-N 2.94Å |
| 263 | K | 97.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 62.9 Ų | 62.9 | 26% | 0.261 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -92.6 | 143.8 | -176.4 | -68.7 | -67.1 | -175.5 | -176.3 | 0 | 112.1 | F256 L260 E267 K268 | F256-K263 HydrophobicContact CD2-CD 4.29Å; F256-K263 HydrophobicContact CD2-CG 4.47Å; F256-K263 HydrophobicContact CE1-CG 4.15Å; F256-K263 HydrophobicContact CE2-CD 3.73Å; F256-K263 HydrophobicContact CE2-CG 3.93Å; F256-K263 HydrophobicContact CZ-CB 4.12Å; F256-K263 HydrophobicContact CZ-CD 4.02Å; F256-K263 HydrophobicContact CZ-CG 3.74Å; L260-K263 PolarHBondContact O-N 3.32Å; K263-E267 WeakPolarHBondContact CA-OE2 3.17Å; K263-E267 HydrophobicContact CB-CB 4.33Å; K263-E267 HydrophobicContact CD-CB 4.18Å; K263-E267 HydrophobicContact CD-CG 4.44Å; K263-E267 VanDerWaalsContact CD-OE1 3.3Å; K263-E267 WeakPolarHBondContact CD-OE1 3.43Å; K263-E267 WeakPolarHBondContact CD-OE2 3.31Å; K263-E267 IonicContact NZ-OE1 2.72Å; K263-E267 PolarHBondContact NZ-OE1 3.5Å; K263-E267 IonicContact NZ-OE2 3.61Å; K263-K268 HydrophobicContact CB-CD 4.49Å; K263-K268 HydrophobicContact CB-CG 3.94Å; K263-K268 VanDerWaalsContact O-CE 3.31Å; K263-K268 WeakPolarHBondContact O-CE 3.47Å |
| 264 | T | 97.6 | Very high | 96.1 | Very high | 69 Ų | 69 | 67 Ų | 67 | 42% | 0.423 | 33% | 0.33 | S | S | . | . | trans | -71.6 | 161.9 | 175.1 | 85.1 | 0 | 0 | 0 | 0 | 111.2 | E266 E267 K268 | T264-E266 WeakPolarHBondContact CB-OE2 3.4Å; T264-E266 PolarHBondContact O-N 2.88Å; T264-E266 PolarHBondContact OG1-N 3.4Å; T264-E266 PolarHBondContact OG1-OE2 2.92Å; T264-E267 PolarHBondContact N-OE2 2.97Å; T264-E267 PolarHBondContact O-N 3.29Å; T264-E267 PolarHBondContact OG1-N 3.38Å; T264-K268 WeakPolarHBondContact O-CB 3.42Å; T264-K268 WeakPolarHBondContact O-CD 3.26Å; T264-K268 VanDerWaalsContact O-CG 3.23Å; T264-K268 WeakPolarHBondContact O-CG 3.35Å; T264-K268 PolarHBondContact O-N 3.41Å | ||
| 265 | E | 96.8 | Very high | 96.2 | Very high | 144 Ų | 144 | 67 Ų | 67 | 67% | 0.673 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.9 | -32.9 | 177.2 | -64.4 | -173 | 178.2 | 0 | 0 | 111.6 | N269 | E265-N269 VanDerWaalsContact O-CB 3.26Å; E265-N269 WeakPolarHBondContact O-CB 3.46Å; E265-N269 VanDerWaalsContact O-CG 3.32Å; E265-N269 PolarHBondContact O-N 3.4Å; E265-N269 PolarHBondContact O-ND2 2.92Å |
| 266 | E | 97.1 | Very high | 96.2 | Very high | 135 Ų | 135 | 65.9 Ų | 65.9 | 63% | 0.631 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.1 | -48.7 | 174.9 | -55.1 | 78.3 | -172.6 | 0 | 0 | 111.5 | T264 K268 N269 E270 | T264-E266 WeakPolarHBondContact CB-OE2 3.4Å; T264-E266 PolarHBondContact O-N 2.88Å; T264-E266 PolarHBondContact OG1-N 3.4Å; T264-E266 PolarHBondContact OG1-OE2 2.92Å; E266-K268 VanDerWaalsContact C-N 3.29Å; E266-K268 PolarHBondContact O-N 3.02Å; E266-N269 PolarHBondContact O-N 3.13Å; E266-E270 WeakPolarHBondContact O-CB 3.32Å; E266-E270 PolarHBondContact O-N 3.27Å |
| 267 | E | 97.3 | Very high | 96.1 | Very high | 69 Ų | 69 | 68.5 Ų | 68.5 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 176.6 | -69.5 | -174.7 | 100 | 0 | 0 | 111.7 | F256 K263 T264 F271 | F256-E267 HydrophobicContact CE2-CB 4.33Å; F256-E267 HydrophobicContact CZ-CB 4.31Å; K263-E267 WeakPolarHBondContact CA-OE2 3.17Å; K263-E267 HydrophobicContact CB-CB 4.33Å; K263-E267 HydrophobicContact CD-CB 4.18Å; K263-E267 HydrophobicContact CD-CG 4.44Å; K263-E267 VanDerWaalsContact CD-OE1 3.3Å; K263-E267 WeakPolarHBondContact CD-OE1 3.43Å; K263-E267 WeakPolarHBondContact CD-OE2 3.31Å; K263-E267 IonicContact NZ-OE1 2.72Å; K263-E267 PolarHBondContact NZ-OE1 3.5Å; K263-E267 IonicContact NZ-OE2 3.61Å; T264-E267 PolarHBondContact N-OE2 2.97Å; T264-E267 PolarHBondContact O-N 3.29Å; T264-E267 PolarHBondContact OG1-N 3.38Å; E267-F271 VanDerWaalsContact O-CB 3.23Å; E267-F271 WeakPolarHBondContact O-CB 3.35Å; E267-F271 PolarHBondContact O-N 2.89Å |
| 268 | K | 97.4 | Very high | 96 | Very high | 32 Ų | 32 | 70 Ų | 70 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 177.2 | -70.6 | 162.8 | 163.4 | -155.2 | 0 | 111.7 | L260 K263 T264 E266 E270 F271 F272 E303 | L260-K268 HydrophobicContact CD1-CG 3.96Å; L260-K268 WeakPolarHBondContact O-CE 3.16Å; K263-K268 HydrophobicContact CB-CD 4.49Å; K263-K268 HydrophobicContact CB-CG 3.94Å; K263-K268 VanDerWaalsContact O-CE 3.31Å; K263-K268 WeakPolarHBondContact O-CE 3.47Å; T264-K268 WeakPolarHBondContact O-CB 3.42Å; T264-K268 WeakPolarHBondContact O-CD 3.26Å; T264-K268 VanDerWaalsContact O-CG 3.23Å; T264-K268 WeakPolarHBondContact O-CG 3.35Å; T264-K268 PolarHBondContact O-N 3.41Å; E266-K268 VanDerWaalsContact C-N 3.29Å; E266-K268 PolarHBondContact O-N 3.02Å; K268-E270 VanDerWaalsContact C-N 3.34Å; K268-E270 PolarHBondContact O-N 3.23Å; K268-F271 PolarHBondContact O-N 3.33Å; K268-F272 WeakPolarHBondContact O-CD2 3.3Å; K268-F272 PolarHBondContact O-N 3.43Å; K268-E303 WeakPolarHBondContact CD-OE1 3.4Å; K268-E303 WeakPolarHBondContact CE-OE1 3.3Å; K268-E303 IonicContact NZ-OE1 3.41Å; K268-E303 PolarHBondContact NZ-OE1 3.22Å |
| 269 | N | 97.1 | Very high | 96.1 | Very high | 62 Ų | 62 | 65.2 Ų | 65.2 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 179 | -81.8 | -61.8 | 0 | 0 | 0 | 111.9 | E265 E266 K273 M305 | E265-N269 VanDerWaalsContact O-CB 3.26Å; E265-N269 WeakPolarHBondContact O-CB 3.46Å; E265-N269 VanDerWaalsContact O-CG 3.32Å; E265-N269 PolarHBondContact O-N 3.4Å; E265-N269 PolarHBondContact O-ND2 2.92Å; E266-N269 PolarHBondContact O-N 3.13Å; N269-K273 WeakPolarHBondContact O-CB 3.04Å; N269-K273 PolarHBondContact O-N 3.48Å; N269-M305 HydrophobicContact CB-CE 4.32Å |
| 270 | E | 96.9 | Very high | 96 | Very high | 130 Ų | 130 | 67.6 Ų | 67.6 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.5 | -46.8 | 174 | -175.2 | 163.9 | -144.6 | 0 | 0 | 111.7 | E266 K268 K273 F274 | E266-E270 WeakPolarHBondContact O-CB 3.32Å; E266-E270 PolarHBondContact O-N 3.27Å; K268-E270 VanDerWaalsContact C-N 3.34Å; K268-E270 PolarHBondContact O-N 3.23Å; E270-K273 PolarHBondContact O-N 3.49Å; E270-F274 HydrophobicContact CG-CD2 4.05Å; E270-F274 HydrophobicContact CG-CE2 4.11Å; E270-F274 WeakPolarHBondContact O-CD2 3.25Å; E270-F274 PolarHBondContact O-N 3.22Å |
| 271 | F | 97.5 | Very high | 95.8 | Very high | 15 Ų | 15 | 72.7 Ų | 72.7 | 7% | 0.066 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57 | -55.3 | 178 | 175.6 | -100.7 | 0 | 0 | 0 | 112.3 | I253 F256 L257 E267 K268 K273 F274 L275 | I253-F271 HydrophobicContact CG1-CE2 4.27Å; I253-F271 HydrophobicContact CG1-CZ 4.41Å; I253-F271 HydrophobicContact CG2-CZ 4.31Å; F256-F271 HydrophobicContact CB-CD2 4.04Å; F256-F271 HydrophobicContact CB-CE2 3.59Å; F256-F271 HydrophobicContact CB-CZ 3.9Å; F256-F271 HydrophobicContact CD1-CB 4.22Å; F256-F271 AromaticContact CD1-CD1 3.45Å; F256-F271 HydrophobicContact CD1-CD1 3.45Å; F256-F271 VanDerWaalsContact CD1-CD1 3.45Å; F256-F271 AromaticContact CD1-CD2 3.7Å; F256-F271 HydrophobicContact CD1-CD2 3.7Å; F256-F271 AromaticContact CD1-CE1 3.55Å; F256-F271 HydrophobicContact CD1-CE1 3.55Å; F256-F271 AromaticContact CD1-CE2 3.8Å; F256-F271 HydrophobicContact CD1-CE2 3.8Å; F256-F271 AromaticContact CD1-CG 3.51Å; F256-F271 HydrophobicContact CD1-CG 3.51Å; F256-F271 AromaticContact CD1-CZ 3.72Å; F256-F271 HydrophobicContact CD1-CZ 3.72Å; F256-F271 HydrophobicContact CD2-CB 4.33Å; F256-F271 AromaticContact CD2-CD2 3.76Å; F256-F271 HydrophobicContact CD2-CD2 3.76Å; F256-F271 HydrophobicContact CD2-CE2 4.23Å; F256-F271 HydrophobicContact CD2-CG 4.07Å; F256-F271 HydrophobicContact CE1-CB 3.68Å; F256-F271 AromaticContact CE1-CD1 3.43Å; F256-F271 HydrophobicContact CE1-CD1 3.43Å; F256-F271 VanDerWaalsContact CE1-CD1 3.43Å; F256-F271 HydrophobicContact CE1-CD2 4.07Å; F256-F271 HydrophobicContact CE1-CE1 4Å; F256-F271 AromaticContact CE1-CG 3.45Å; F256-F271 HydrophobicContact CE1-CG 3.45Å; F256-F271 VanDerWaalsContact CE1-CG 3.45Å; F256-F271 HydrophobicContact CE2-CB 3.81Å; F256-F271 HydrophobicContact CE2-CD2 4.12Å; F256-F271 HydrophobicContact CE2-CG 4.02Å; F256-F271 HydrophobicContact CG-CD1 4.18Å; F256-F271 AromaticContact CG-CD2 3.54Å; F256-F271 HydrophobicContact CG-CD2 3.54Å; F256-F271 HydrophobicContact CG-CE1 4.23Å; F256-F271 AromaticContact CG-CE2 3.61Å; F256-F271 HydrophobicContact CG-CE2 3.61Å; F256-F271 AromaticContact CG-CG 3.84Å; F256-F271 HydrophobicContact CG-CG 3.84Å; F256-F271 AromaticContact CG-CZ 3.95Å; F256-F271 HydrophobicContact CG-CZ 3.95Å; F256-F271 HydrophobicContact CZ-CB 3.46Å; F256-F271 VanDerWaalsContact CZ-CB 3.46Å; F256-F271 HydrophobicContact CZ-CD1 4.15Å; F256-F271 HydrophobicContact CZ-CD2 4.28Å; F256-F271 AromaticContact CZ-CG 3.72Å; F256-F271 HydrophobicContact CZ-CG 3.72Å; L257-F271 HydrophobicContact CD2-CE1 4.22Å; L257-F271 HydrophobicContact CG-CZ 4.43Å; E267-F271 VanDerWaalsContact O-CB 3.23Å; E267-F271 WeakPolarHBondContact O-CB 3.35Å; E267-F271 PolarHBondContact O-N 2.89Å; K268-F271 PolarHBondContact O-N 3.33Å; F271-K273 VanDerWaalsContact C-N 3.28Å; F271-K273 PolarHBondContact O-N 2.95Å; F271-F274 PolarHBondContact O-N 2.88Å; F271-L275 HydrophobicContact CE1-CD1 4.04Å; F271-L275 HydrophobicContact CE1-CD2 3.99Å; F271-L275 HydrophobicContact CE2-CD1 4.13Å; F271-L275 HydrophobicContact CZ-CD1 3.66Å; F271-L275 HydrophobicContact CZ-CD2 4.41Å; F271-L275 WeakPolarHBondContact O-CB 3.31Å; F271-L275 PolarHBondContact O-N 3.44Å |
| 272 | F | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.3 | -21.2 | -176.8 | -72.3 | -63.1 | 0 | 0 | 0 | 114 | L257 L260 K268 L275 V300 E303 M305 A306 | L257-F272 HydrophobicContact CD2-CZ 4.48Å; L260-F272 HydrophobicContact CD1-CE2 3.91Å; L260-F272 HydrophobicContact CD1-CZ 4.12Å; L260-F272 HydrophobicContact CD2-CZ 4.39Å; K268-F272 WeakPolarHBondContact O-CD2 3.3Å; K268-F272 PolarHBondContact O-N 3.43Å; F272-L275 HydrophobicContact CD1-CD2 3.67Å; F272-L275 HydrophobicContact CE1-CD2 3.92Å; F272-V300 HydrophobicContact CE1-CG1 3.83Å; F272-V300 HydrophobicContact CZ-CG1 4.05Å; F272-V300 HydrophobicContact CZ-CG2 4.35Å; F272-E303 HydrophobicContact CD2-CB 4.04Å; F272-E303 HydrophobicContact CD2-CG 4.38Å; F272-E303 HydrophobicContact CE2-CB 3.81Å; F272-E303 HydrophobicContact CE2-CG 3.71Å; F272-E303 HydrophobicContact CZ-CB 4.5Å; F272-E303 HydrophobicContact CZ-CG 4.36Å; F272-M305 HydrophobicContact CB-CB 3.9Å; F272-M305 HydrophobicContact CB-CG 3.85Å; F272-A306 HydrophobicContact CB-CB 4.22Å; F272-A306 HydrophobicContact CD1-CB 3.5Å; F272-A306 HydrophobicContact CD2-CB 4.1Å; F272-A306 HydrophobicContact CE1-CB 3.8Å; F272-A306 HydrophobicContact CE2-CB 4.37Å; F272-A306 HydrophobicContact CG-CB 3.68Å; F272-A306 HydrophobicContact CZ-CB 4.23Å |
| 273 | K | 95.2 | Very high | 95.5 | Very high | 116 Ų | 116 | 64 Ų | 64 | 50% | 0.504 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 173 | 174.8 | -172.7 | 171.2 | -164.8 | 0 | 112.3 | N269 E270 F271 M305 | N269-K273 WeakPolarHBondContact O-CB 3.04Å; N269-K273 PolarHBondContact O-N 3.48Å; E270-K273 PolarHBondContact O-N 3.49Å; F271-K273 VanDerWaalsContact C-N 3.28Å; F271-K273 PolarHBondContact O-N 2.95Å; K273-M305 HydrophobicContact CB-CG 4.1Å; K273-M305 HydrophobicContact CB-SD 4.15Å |
| 274 | F | 95.2 | Very high | 95.3 | Very high | 87 Ų | 87 | 63.4 Ų | 63.4 | 38% | 0.382 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -107.4 | 4.5 | -178 | -61.2 | -63.8 | 0 | 0 | 0 | 113.4 | E270 F271 L276 D277 R278 | E270-F274 HydrophobicContact CG-CD2 4.05Å; E270-F274 HydrophobicContact CG-CE2 4.11Å; E270-F274 WeakPolarHBondContact O-CD2 3.25Å; E270-F274 PolarHBondContact O-N 3.22Å; F271-F274 PolarHBondContact O-N 2.88Å; F274-L276 VanDerWaalsContact C-N 3.27Å; F274-L276 PolarHBondContact O-N 3.42Å; F274-D277 PolarHBondContact O-N 2.87Å; F274-R278 WeakPolarHBondContact O-CG 3.2Å; F274-R278 PolarHBondContact O-N 3.4Å |
| 275 | L | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -35.5 | -177.2 | -178.7 | 60.3 | 0 | 0 | 0 | 112.4 | I253 F271 F272 R278 V279 L295 F310 | I253-L275 HydrophobicContact CD1-CD1 3.92Å; I253-L275 HydrophobicContact CG1-CD1 3.79Å; I253-L275 HydrophobicContact CG2-CD1 4.15Å; F271-L275 HydrophobicContact CE1-CD1 4.04Å; F271-L275 HydrophobicContact CE1-CD2 3.99Å; F271-L275 HydrophobicContact CE2-CD1 4.13Å; F271-L275 HydrophobicContact CZ-CD1 3.66Å; F271-L275 HydrophobicContact CZ-CD2 4.41Å; F271-L275 WeakPolarHBondContact O-CB 3.31Å; F271-L275 PolarHBondContact O-N 3.44Å; F272-L275 HydrophobicContact CD1-CD2 3.67Å; F272-L275 HydrophobicContact CE1-CD2 3.92Å; L275-R278 PolarHBondContact O-N 3.09Å; L275-V279 HydrophobicContact CD1-CG2 3.64Å; L275-V279 HydrophobicContact CG-CG2 3.92Å; L275-V279 WeakPolarHBondContact O-CB 3.3Å; L275-V279 VanDerWaalsContact O-CG2 3.25Å; L275-V279 WeakPolarHBondContact O-CG2 3.11Å; L275-V279 PolarHBondContact O-N 3.15Å; L275-L295 HydrophobicContact CD2-CD2 3.8Å; L275-F310 HydrophobicContact CB-CD2 4.02Å; L275-F310 HydrophobicContact CB-CE2 4.37Å; L275-F310 HydrophobicContact CB-CG 4.5Å; L275-F310 HydrophobicContact CD2-CD1 3.86Å; L275-F310 HydrophobicContact CD2-CD2 3.88Å; L275-F310 HydrophobicContact CD2-CE1 3.88Å; L275-F310 HydrophobicContact CD2-CE2 3.9Å; L275-F310 HydrophobicContact CD2-CG 3.86Å; L275-F310 HydrophobicContact CD2-CZ 3.91Å; L275-F310 HydrophobicContact CG-CD2 3.81Å; L275-F310 HydrophobicContact CG-CE2 3.71Å; L275-F310 HydrophobicContact CG-CG 4.3Å; L275-F310 HydrophobicContact CG-CZ 4.13Å |
| 276 | L | 95.1 | Very high | 95 | Very high | 21 Ų | 21 | 57.5 Ų | 57.5 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 177.9 | -175.9 | 60.2 | 0 | 0 | 0 | 111.4 | F274 R278 V279 Q280 F310 H313 D329 L331 | F274-L276 VanDerWaalsContact C-N 3.27Å; F274-L276 PolarHBondContact O-N 3.42Å; L276-R278 PolarHBondContact O-N 2.88Å; L276-R278 VanDerWaalsContact O-N 3.16Å; L276-V279 PolarHBondContact O-N 3.46Å; L276-Q280 WeakPolarHBondContact O-CB 3.43Å; L276-Q280 WeakPolarHBondContact O-CG 3.17Å; L276-Q280 PolarHBondContact O-N 3Å; L276-F310 HydrophobicContact CB-CD2 4.25Å; L276-H313 HydrophobicContact CD1-CB 3.67Å; L276-H313 HydrophobicContact CD2-CB 4.44Å; L276-H313 WeakPolarHBondContact CD2-ND1 3.46Å; L276-D329 HydrophobicContact CD2-CB 3.95Å; L276-L331 HydrophobicContact CD1-CD1 4.26Å; L276-L331 HydrophobicContact CD1-CD2 3.98Å; L276-L331 HydrophobicContact CD1-CG 4.11Å |
| 277 | D | 93.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 51.2 Ų | 51.2 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.4 | -31.5 | 179.4 | -60.9 | -63.4 | 0 | 0 | 0 | 113.1 | F274 N281 | F274-D277 PolarHBondContact O-N 2.87Å; D277-N281 PolarHBondContact O-ND2 3.03Å |
| 278 | R | 94 | Very high | 94.8 | Very high | 57 Ų | 57 | 48 Ų | 48 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -84.8 | -44.3 | 179.5 | -56.9 | -178.3 | 75.2 | 167 | 12.8 | 112 | D249 E252 I253 F274 L275 L276 | D249-R278 HydrophobicContact CB-CB 4.35Å; D249-R278 IonicContact OD1-CZ 2.77Å; D249-R278 IonicContact OD1-NE 2.75Å; D249-R278 PolarHBondContact OD1-NE 2.95Å; D249-R278 IonicContact OD1-NH2 2.58Å; D249-R278 PolarHBondContact OD1-NH2 3.02Å; E252-R278 IonicContact OE2-CZ 2.72Å; E252-R278 IonicContact OE2-NH1 2.7Å; E252-R278 IonicContact OE2-NH2 3.74Å; E252-R278 PolarHBondContact OE2-NH2 3.19Å; I253-R278 HydrophobicContact CD1-CB 3.96Å; F274-R278 WeakPolarHBondContact O-CG 3.2Å; F274-R278 PolarHBondContact O-N 3.4Å; L275-R278 PolarHBondContact O-N 3.09Å; L276-R278 PolarHBondContact O-N 2.88Å; L276-R278 VanDerWaalsContact O-N 3.16Å |
| 279 | V | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.8 | -36.5 | -176.9 | 174 | 0 | 0 | 0 | 0 | 111.6 | I253 L275 L276 N281 L282 I287 L291 F310 L331 | I253-V279 HydrophobicContact CD1-CG2 3.73Å; L275-V279 HydrophobicContact CD1-CG2 3.64Å; L275-V279 HydrophobicContact CG-CG2 3.92Å; L275-V279 WeakPolarHBondContact O-CB 3.3Å; L275-V279 VanDerWaalsContact O-CG2 3.25Å; L275-V279 WeakPolarHBondContact O-CG2 3.11Å; L275-V279 PolarHBondContact O-N 3.15Å; L276-V279 PolarHBondContact O-N 3.46Å; V279-N281 PolarHBondContact O-N 3.19Å; V279-L282 WeakPolarHBondContact O-CB 3.16Å; V279-L282 PolarHBondContact O-N 3.15Å; V279-L282 VanDerWaalsContact O-N 3.08Å; V279-I287 HydrophobicContact CG1-CD1 3.93Å; V279-I287 HydrophobicContact CG1-CG1 3.97Å; V279-I287 HydrophobicContact CG1-CG2 3.8Å; V279-I287 VanDerWaalsContact O-CD1 3.3Å; V279-I287 WeakPolarHBondContact O-CD1 3.21Å; V279-L291 HydrophobicContact CG1-CD1 4.49Å; V279-L291 HydrophobicContact CG2-CD1 4.38Å; V279-F310 HydrophobicContact CB-CE2 4.29Å; V279-F310 HydrophobicContact CG2-CE2 4.14Å; V279-F310 HydrophobicContact CG2-CZ 4.28Å; V279-L331 HydrophobicContact CB-CD2 4.44Å; V279-L331 HydrophobicContact CG1-CD1 3.81Å; V279-L331 HydrophobicContact CG1-CD2 3.91Å; V279-L331 HydrophobicContact CG1-CG 4.48Å |
| 280 | Q | 92.4 | Very high | 94.5 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 39% | 0.393 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.1 | -178.4 | 71.7 | -171.4 | 0.3 | 0 | 0 | 114.6 | L276 L282 L331 | L276-Q280 WeakPolarHBondContact O-CB 3.43Å; L276-Q280 WeakPolarHBondContact O-CG 3.17Å; L276-Q280 PolarHBondContact O-N 3Å; Q280-L282 VanDerWaalsContact C-N 3.31Å; Q280-L331 HydrophobicContact CB-CD2 4.06Å |
| 281 | N | 90.3 | Very high | 94.4 | Very high | 113 Ų | 113 | 39.3 Ų | 39.3 | 60% | 0.604 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.7 | 177.2 | -60.1 | -34.2 | 0 | 0 | 0 | 113.1 | D277 V279 | D277-N281 PolarHBondContact O-ND2 3.03Å; V279-N281 PolarHBondContact O-N 3.19Å |
| 282 | L | 93.1 | Very high | 94.4 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.073 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -91.5 | 152.7 | -176.1 | -60.3 | 177.8 | 0 | 0 | 0 | 112.1 | D249 F250 I253 V279 Q280 L286 I287 L291 | D249-L282 HydrophobicContact CB-CD2 4.48Å; F250-L282 HydrophobicContact CB-CD1 4.31Å; F250-L282 HydrophobicContact CB-CD2 4.16Å; F250-L282 HydrophobicContact CD2-CD1 4.31Å; I253-L282 HydrophobicContact CD1-CD1 4.32Å; V279-L282 WeakPolarHBondContact O-CB 3.16Å; V279-L282 PolarHBondContact O-N 3.15Å; V279-L282 VanDerWaalsContact O-N 3.08Å; Q280-L282 VanDerWaalsContact C-N 3.31Å; L282-L286 HydrophobicContact CB-CD2 4.42Å; L282-I287 HydrophobicContact CB-CD1 4.29Å; L282-I287 HydrophobicContact CB-CG1 3.9Å; L282-I287 WeakPolarHBondContact O-CD1 3.31Å; L282-L291 HydrophobicContact CD1-CD1 3.65Å |
| 283 | P | 92.6 | Very high | 94.2 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 34% | 0.344 | 21% | 0.205 | S | C | . | . | trans | -57.1 | 137.6 | 175.4 | -26.1 | 34.1 | 0 | 0 | 0 | 113 | E99 E285 L286 I287 | E99-P283 WeakPolarHBondContact OE1-CD 3.33Å; E99-P283 VanDerWaalsContact OE1-CG 3.28Å; E99-P283 WeakPolarHBondContact OE1-CG 3.42Å; P283-E285 PolarHBondContact O-N 2.95Å; P283-L286 HydrophobicContact CB-CB 4.05Å; P283-L286 WeakPolarHBondContact O-CA 3.48Å; P283-L286 VanDerWaalsContact O-CB 3.25Å; P283-L286 WeakPolarHBondContact O-CB 3.36Å; P283-L286 PolarHBondContact O-N 2.75Å; P283-I287 WeakPolarHBondContact O-CG1 3.46Å; P283-I287 PolarHBondContact O-N 2.68Å | ||
| 284 | E | 93.8 | Very high | 94.2 | Very high | 48 Ų | 48 | 38 Ų | 38 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | -169.7 | -159.8 | -177.5 | 107 | 0 | 0 | 113.9 | L286 I287 A288 K318 L332 S333 L336 | E284-L286 VanDerWaalsContact C-N 3.3Å; E284-L286 PolarHBondContact O-N 3Å; E284-I287 PolarHBondContact O-N 2.99Å; E284-A288 VanDerWaalsContact O-CB 3.31Å; E284-A288 WeakPolarHBondContact O-CB 3.43Å; E284-A288 PolarHBondContact O-N 3.07Å; E284-K318 IonicContact OE2-NZ 3.84Å; E284-K318 PolarHBondContact OE2-NZ 3.4Å; E284-L332 HydrophobicContact CG-CD2 3.68Å; E284-S333 VanDerWaalsContact CD-N 3.31Å; E284-S333 WeakPolarHBondContact OE1-CB 3.37Å; E284-S333 PolarHBondContact OE1-N 3.39Å; E284-S333 PolarHBondContact OE1-OG 2.96Å; E284-L336 HydrophobicContact CB-CD1 4.26Å; E284-L336 HydrophobicContact CG-CD1 4Å |
| 285 | E | 93.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 33.9 Ų | 33.9 | 39% | 0.388 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -69.5 | -27.6 | 175 | -170.3 | 75 | -119.2 | 0 | 0 | 111.9 | P283 A288 S289 L336 K339 H340 | P283-E285 PolarHBondContact O-N 2.95Å; E285-A288 PolarHBondContact O-N 3.26Å; E285-S289 VanDerWaalsContact O-CB 3.28Å; E285-S289 WeakPolarHBondContact O-CB 3.42Å; E285-S289 PolarHBondContact O-N 3.08Å; E285-S289 PolarHBondContact O-OG 2.64Å; E285-L336 HydrophobicContact CB-CD1 4.24Å; E285-L336 VanDerWaalsContact OE2-CD2 3.23Å; E285-L336 WeakPolarHBondContact OE2-CD2 3.29Å; E285-K339 VanDerWaalsContact CD-NZ 3.29Å; E285-K339 IonicContact OE1-NZ 3.68Å; E285-K339 PolarHBondContact OE1-NZ 3.19Å; E285-K339 IonicContact OE2-NZ 3.64Å; E285-K339 PolarHBondContact OE2-NZ 3.13Å; E285-H340 IonicContact OE1-CD2 3.16Å; E285-H340 IonicContact OE1-CE1 2.77Å; E285-H340 CovalentContact OE1-NE2 1.78Å; E285-H340 IonicContact OE1-NE2 3.39Å; E285-H340 PolarHBondContact OE1-NE2 2.84Å; E285-H340 IonicContact OE2-NE2 2.72Å |
| 286 | L | 94.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -46.4 | 173.7 | -176.2 | 74.9 | 0 | 0 | 0 | 110.8 | E99 E100 F250 L282 P283 E284 A288 R290 | E99-L286 HydrophobicContact CB-CD1 4.46Å; E99-L286 HydrophobicContact CB-CD2 3.53Å; E99-L286 HydrophobicContact CG-CD2 3.68Å; E100-L286 HydrophobicContact CG-CD1 3.32Å; F250-L286 HydrophobicContact CD2-CD1 4.42Å; F250-L286 HydrophobicContact CD2-CD2 3.72Å; F250-L286 HydrophobicContact CD2-CG 4.05Å; F250-L286 HydrophobicContact CE1-CD1 4.25Å; F250-L286 HydrophobicContact CE2-CD1 3.82Å; F250-L286 HydrophobicContact CE2-CD2 3.96Å; F250-L286 HydrophobicContact CE2-CG 3.77Å; F250-L286 HydrophobicContact CG-CD2 4.02Å; F250-L286 HydrophobicContact CZ-CD1 3.71Å; F250-L286 HydrophobicContact CZ-CD2 4.44Å; F250-L286 HydrophobicContact CZ-CG 4.2Å; L282-L286 HydrophobicContact CB-CD2 4.42Å; P283-L286 HydrophobicContact CB-CB 4.05Å; P283-L286 WeakPolarHBondContact O-CA 3.48Å; P283-L286 VanDerWaalsContact O-CB 3.25Å; P283-L286 WeakPolarHBondContact O-CB 3.36Å; P283-L286 PolarHBondContact O-N 2.75Å; E284-L286 VanDerWaalsContact C-N 3.3Å; E284-L286 PolarHBondContact O-N 3Å; L286-A288 VanDerWaalsContact C-N 3.3Å; L286-A288 PolarHBondContact O-N 3.4Å; L286-R290 HydrophobicContact CD1-CB 4.32Å; L286-R290 HydrophobicContact CD1-CG 3.72Å; L286-R290 WeakPolarHBondContact O-CB 3.3Å; L286-R290 PolarHBondContact O-N 3.03Å |
| 287 | I | 95.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -57 | -49.3 | 173.2 | -56.5 | 166.5 | 0 | 0 | 0 | 109.1 | V279 L282 P283 E284 L291 V292 L314 L332 | V279-I287 HydrophobicContact CG1-CD1 3.93Å; V279-I287 HydrophobicContact CG1-CG1 3.97Å; V279-I287 HydrophobicContact CG1-CG2 3.8Å; V279-I287 VanDerWaalsContact O-CD1 3.3Å; V279-I287 WeakPolarHBondContact O-CD1 3.21Å; L282-I287 HydrophobicContact CB-CD1 4.29Å; L282-I287 HydrophobicContact CB-CG1 3.9Å; L282-I287 WeakPolarHBondContact O-CD1 3.31Å; P283-I287 WeakPolarHBondContact O-CG1 3.46Å; P283-I287 PolarHBondContact O-N 2.68Å; E284-I287 PolarHBondContact O-N 2.99Å; I287-L291 WeakPolarHBondContact O-CA 3.35Å; I287-L291 WeakPolarHBondContact O-CB 3.23Å; I287-L291 PolarHBondContact O-N 3.23Å; I287-L291 VanDerWaalsContact O-N 3.12Å; I287-V292 PolarHBondContact O-N 3.45Å; I287-L314 HydrophobicContact CG2-CD1 4.46Å; I287-L332 HydrophobicContact CB-CD2 4.01Å; I287-L332 HydrophobicContact CG2-CD2 3.92Å |
| 288 | A | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -68 | -41.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E284 E285 L286 V292 L332 L336 H340 | E284-A288 VanDerWaalsContact O-CB 3.31Å; E284-A288 WeakPolarHBondContact O-CB 3.43Å; E284-A288 PolarHBondContact O-N 3.07Å; E285-A288 PolarHBondContact O-N 3.26Å; L286-A288 VanDerWaalsContact C-N 3.3Å; L286-A288 PolarHBondContact O-N 3.4Å; A288-V292 WeakPolarHBondContact O-CB 3.26Å; A288-L332 HydrophobicContact CB-CD1 4.32Å; A288-L332 HydrophobicContact CB-CD2 3.9Å; A288-L336 HydrophobicContact CB-CB 4.05Å; A288-L336 HydrophobicContact CB-CD1 4.22Å; A288-H340 HydrophobicContact CB-CB 4.13Å; A288-H340 WeakPolarHBondContact CB-CD2 3.23Å; A288-H340 VanDerWaalsContact O-CB 3.3Å; A288-H340 WeakPolarHBondContact O-CB 3.5Å; A288-H340 VanDerWaalsContact O-CG 3.31Å; A288-H340 PolarHBondContact O-ND1 3.38Å |
| 289 | S | 93.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -85.5 | -41.2 | -177.7 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | E285 P293 H340 | E285-S289 VanDerWaalsContact O-CB 3.28Å; E285-S289 WeakPolarHBondContact O-CB 3.42Å; E285-S289 PolarHBondContact O-N 3.08Å; E285-S289 PolarHBondContact O-OG 2.64Å; S289-P293 WeakPolarHBondContact O-CG 3.28Å; S289-H340 VanDerWaalsContact CA-CE1 3.49Å; S289-H340 WeakPolarHBondContact CA-CE1 3.41Å; S289-H340 WeakPolarHBondContact CB-CE1 3.38Å |
| 290 | R | 94 | Very high | 94.3 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -99.5 | -34.9 | -171.1 | -55.1 | -58.6 | -63 | -76.1 | -2.4 | 114 | E100 D136 G137 F250 L286 K294 | E100-R290 VanDerWaalsContact OE1-CD 3.23Å; E100-R290 WeakPolarHBondContact OE1-CD 3.31Å; E100-R290 WeakPolarHBondContact OE1-CG 3.3Å; E100-R290 IonicContact OE1-CZ 3.92Å; E100-R290 IonicContact OE1-NE 3.65Å; E100-R290 IonicContact OE1-NH1 3.23Å; E100-R290 PolarHBondContact OE1-NH1 3.34Å; D136-R290 VanDerWaalsContact O-CZ 3.29Å; D136-R290 PolarHBondContact O-NE 3.13Å; D136-R290 PolarHBondContact O-NH2 2.89Å; G137-R290 VanDerWaalsContact C-CZ 3.43Å; G137-R290 VanDerWaalsContact O-CZ 3.29Å; G137-R290 PolarHBondContact O-NH1 2.98Å; G137-R290 PolarHBondContact O-NH2 3.19Å; F250-R290 HydrophobicContact CE2-CB 3.72Å; F250-R290 HydrophobicContact CE2-CG 4.35Å; F250-R290 HydrophobicContact CZ-CB 3.72Å; F250-R290 HydrophobicContact CZ-CG 3.96Å; L286-R290 HydrophobicContact CD1-CB 4.32Å; L286-R290 HydrophobicContact CD1-CG 3.72Å; L286-R290 WeakPolarHBondContact O-CB 3.3Å; L286-R290 PolarHBondContact O-N 3.03Å; R290-K294 WeakPolarHBondContact O-CD 3.41Å; R290-K294 WeakPolarHBondContact O-CE 3.41Å |
| 291 | L | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -97.5 | -44 | -174.1 | -60.1 | -176.1 | 0 | 0 | 0 | 113.4 | F250 I253 L254 V279 L282 I287 P293 K294 L295 | F250-L291 HydrophobicContact CD2-CD1 4.33Å; F250-L291 HydrophobicContact CD2-CD2 3.93Å; F250-L291 HydrophobicContact CD2-CG 4.22Å; F250-L291 HydrophobicContact CE2-CD2 3.73Å; F250-L291 HydrophobicContact CE2-CG 4.02Å; I253-L291 HydrophobicContact CG2-CD1 4.46Å; I253-L291 HydrophobicContact CG2-CD2 3.99Å; L254-L291 HydrophobicContact CD2-CD2 3.8Å; L254-L291 HydrophobicContact CG-CD2 4.2Å; V279-L291 HydrophobicContact CG1-CD1 4.49Å; V279-L291 HydrophobicContact CG2-CD1 4.38Å; L282-L291 HydrophobicContact CD1-CD1 3.65Å; I287-L291 WeakPolarHBondContact O-CA 3.35Å; I287-L291 WeakPolarHBondContact O-CB 3.23Å; I287-L291 PolarHBondContact O-N 3.23Å; I287-L291 VanDerWaalsContact O-N 3.12Å; L291-P293 VanDerWaalsContact C-CD 3.46Å; L291-P293 VanDerWaalsContact C-N 3.34Å; L291-K294 CarbonylContact O-C 3.59Å; L291-K294 WeakPolarHBondContact O-CA 3.5Å; L291-K294 PolarHBondContact O-N 2.81Å; L291-L295 HydrophobicContact CB-CD1 3.74Å; L291-L295 HydrophobicContact CB-CG 4.46Å; L291-L295 WeakPolarHBondContact O-CB 3.43Å; L291-L295 WeakPolarHBondContact O-CG 3.46Å; L291-L295 PolarHBondContact O-N 2.6Å |
| 292 | V | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -49 | -45.9 | 178.5 | 167.2 | 0 | 0 | 0 | 0 | 113.2 | I287 A288 K294 L295 L296 L314 L332 H340 V341 Q344 | I287-V292 PolarHBondContact O-N 3.45Å; A288-V292 WeakPolarHBondContact O-CB 3.26Å; V292-K294 PolarHBondContact O-N 3.22Å; V292-L295 PolarHBondContact O-N 2.76Å; V292-L296 HydrophobicContact CG1-CD1 3.75Å; V292-L296 HydrophobicContact CG1-CG 4.2Å; V292-L296 WeakPolarHBondContact O-CB 3.43Å; V292-L296 PolarHBondContact O-N 2.92Å; V292-L314 HydrophobicContact CG2-CD1 3.92Å; V292-L332 HydrophobicContact CG2-CD1 3.73Å; V292-H340 HydrophobicContact CG1-CB 4.49Å; V292-H340 WeakPolarHBondContact CG1-O 3.21Å; V292-V341 HydrophobicContact CG1-CG2 3.85Å; V292-V341 HydrophobicContact CG2-CG2 4.03Å; V292-Q344 HydrophobicContact CG1-CG 4.25Å |
| 293 | P | 94.3 | Very high | 94.9 | Very high | 49 Ų | 49 | 29.4 Ų | 29.4 | 32% | 0.318 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.9 | -18.9 | 179.5 | -20.8 | 33.9 | 0 | 0 | 0 | 114.6 | S289 L291 | S289-P293 WeakPolarHBondContact O-CG 3.28Å; L291-P293 VanDerWaalsContact C-CD 3.46Å; L291-P293 VanDerWaalsContact C-N 3.34Å |
| 294 | K | 94.6 | Very high | 95 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 24% | 0.239 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -100.2 | -23.3 | -179.1 | -55.2 | 177.5 | -161.3 | -81.5 | 0 | 111.8 | H138 L254 L257 R290 L291 V292 | H138-K294 PolarHBondContact NE2-NZ 3.1Å; H138-K294 VanDerWaalsContact NE2-NZ 3.16Å; L254-K294 HydrophobicContact CD2-CD 3.45Å; L254-K294 VanDerWaalsContact CD2-CD 3.45Å; L257-K294 HydrophobicContact CD1-CB 4.13Å; R290-K294 WeakPolarHBondContact O-CD 3.41Å; R290-K294 WeakPolarHBondContact O-CE 3.41Å; L291-K294 CarbonylContact O-C 3.59Å; L291-K294 WeakPolarHBondContact O-CA 3.5Å; L291-K294 PolarHBondContact O-N 2.81Å; V292-K294 PolarHBondContact O-N 3.22Å |
| 295 | L | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -89.6 | -33 | 177 | -68.2 | 168.4 | 0 | 0 | 0 | 113 | L257 L275 L291 V292 H297 V300 F310 L314 | L257-L295 HydrophobicContact CD1-CD2 3.78Å; L257-L295 HydrophobicContact CD1-CG 4.2Å; L257-L295 HydrophobicContact CD2-CD2 4.21Å; L275-L295 HydrophobicContact CD2-CD2 3.8Å; L291-L295 HydrophobicContact CB-CD1 3.74Å; L291-L295 HydrophobicContact CB-CG 4.46Å; L291-L295 WeakPolarHBondContact O-CB 3.43Å; L291-L295 WeakPolarHBondContact O-CG 3.46Å; L291-L295 PolarHBondContact O-N 2.6Å; V292-L295 PolarHBondContact O-N 2.76Å; L295-H297 VanDerWaalsContact C-N 3.27Å; L295-H297 PolarHBondContact O-N 3.3Å; L295-V300 WeakPolarHBondContact O-CB 3.49Å; L295-V300 WeakPolarHBondContact O-CG1 3.25Å; L295-F310 HydrophobicContact CB-CE1 4.32Å; L295-F310 HydrophobicContact CD1-CE1 3.81Å; L295-F310 HydrophobicContact CD1-CZ 3.76Å; L295-F310 HydrophobicContact CD2-CE1 3.92Å; L295-F310 HydrophobicContact CD2-CZ 4.39Å; L295-F310 HydrophobicContact CG-CE1 4.25Å; L295-L314 HydrophobicContact CB-CD2 3.84Å; L295-L314 HydrophobicContact CD1-CD2 4.23Å |
| 296 | L | 96.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -90.6 | 63.1 | 172.1 | -60.4 | -174.6 | 0 | 0 | 0 | 110.4 | V292 F301 L311 L314 L315 V341 Q344 L348 | V292-L296 HydrophobicContact CG1-CD1 3.75Å; V292-L296 HydrophobicContact CG1-CG 4.2Å; V292-L296 WeakPolarHBondContact O-CB 3.43Å; V292-L296 PolarHBondContact O-N 2.92Å; L296-F301 HydrophobicContact CD2-CE1 3.86Å; L296-F301 HydrophobicContact CD2-CZ 4.13Å; L296-L311 HydrophobicContact CD2-CD2 4.05Å; L296-L314 HydrophobicContact CD2-CD2 3.82Å; L296-L314 HydrophobicContact CG-CD2 4.03Å; L296-L315 HydrophobicContact CD2-CD2 4.04Å; L296-V341 HydrophobicContact CD1-CB 4.22Å; L296-V341 HydrophobicContact CD1-CG1 3.77Å; L296-V341 HydrophobicContact CD1-CG2 4.17Å; L296-Q344 HydrophobicContact CB-CB 4.16Å; L296-Q344 HydrophobicContact CD1-CB 4.14Å; L296-L348 HydrophobicContact CB-CD1 4.07Å |
| 297 | H | 93.6 | Very high | 95.4 | Very high | 85 Ų | 85 | 28.4 Ų | 28.4 | 39% | 0.394 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -130.6 | 151.6 | -177 | -173.4 | -94.2 | 0 | 0 | 0 | 110.8 | L295 L299 V300 F301 | L295-H297 VanDerWaalsContact C-N 3.27Å; L295-H297 PolarHBondContact O-N 3.3Å; H297-L299 VanDerWaalsContact C-N 3.34Å; H297-L299 PolarHBondContact ND1-N 2.88Å; H297-L299 PolarHBondContact O-N 2.69Å; H297-V300 PolarHBondContact O-N 3.19Å; H297-F301 PolarHBondContact O-N 3.42Å; H297-F301 VanDerWaalsContact O-N 3.13Å |
| 298 | S | 94 | Very high | 95.3 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 20% | 0.203 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -50.3 | -50.6 | -176.6 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | V300 F301 A302 I356 | S298-V300 PolarHBondContact O-N 2.9Å; S298-V300 VanDerWaalsContact O-N 3.07Å; S298-F301 CarbonylContact O-C 3.59Å; S298-F301 WeakPolarHBondContact O-CA 3.1Å; S298-F301 WeakPolarHBondContact O-CB 3.01Å; S298-F301 PolarHBondContact O-N 3Å; S298-A302 PolarHBondContact O-N 3.23Å; S298-I356 VanDerWaalsContact CB-CD1 3.46Å |
| 299 | L | 95 | Very high | 95.1 | Very high | 76 Ų | 76 | 37.9 Ų | 37.9 | 40% | 0.398 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.2 | -22 | 178 | -63 | 175.6 | 0 | 0 | 0 | 114.8 | L260 T261 H297 E303 | L260-L299 HydrophobicContact CD2-CB 4.06Å; T261-L299 HydrophobicContact CG2-CD1 3.84Å; T261-L299 HydrophobicContact CG2-CD2 4.26Å; H297-L299 VanDerWaalsContact C-N 3.34Å; H297-L299 PolarHBondContact ND1-N 2.88Å; H297-L299 PolarHBondContact O-N 2.69Å; L299-E303 VanDerWaalsContact O-CG 3.3Å; L299-E303 WeakPolarHBondContact O-CG 3.44Å |
| 300 | V | 96.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -90.2 | -30.8 | 174.7 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | L257 L260 F272 L295 H297 S298 A302 E303 A306 | L257-V300 HydrophobicContact CD2-CG2 4.16Å; L260-V300 HydrophobicContact CD2-CG2 4.1Å; F272-V300 HydrophobicContact CE1-CG1 3.83Å; F272-V300 HydrophobicContact CZ-CG1 4.05Å; F272-V300 HydrophobicContact CZ-CG2 4.35Å; L295-V300 WeakPolarHBondContact O-CB 3.49Å; L295-V300 WeakPolarHBondContact O-CG1 3.25Å; H297-V300 PolarHBondContact O-N 3.19Å; S298-V300 PolarHBondContact O-N 2.9Å; S298-V300 VanDerWaalsContact O-N 3.07Å; V300-A302 PolarHBondContact O-N 3.29Å; V300-E303 PolarHBondContact O-N 3.18Å; V300-A306 HydrophobicContact CG1-CB 3.75Å; V300-A306 WeakPolarHBondContact O-CB 3.46Å |
| 301 | F | 96.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.1 | -20.3 | 173.9 | -82 | 44.2 | 0 | 0 | 0 | 112.1 | L296 H297 S298 E303 V307 L311 L348 I356 V359 L360 | L296-F301 HydrophobicContact CD2-CE1 3.86Å; L296-F301 HydrophobicContact CD2-CZ 4.13Å; H297-F301 PolarHBondContact O-N 3.42Å; H297-F301 VanDerWaalsContact O-N 3.13Å; S298-F301 CarbonylContact O-C 3.59Å; S298-F301 WeakPolarHBondContact O-CA 3.1Å; S298-F301 WeakPolarHBondContact O-CB 3.01Å; S298-F301 PolarHBondContact O-N 3Å; F301-E303 VanDerWaalsContact C-N 3.31Å; F301-V307 WeakPolarHBondContact O-CG2 3.28Å; F301-L311 HydrophobicContact CD1-CD1 3.75Å; F301-L311 HydrophobicContact CE1-CD1 3.58Å; F301-L311 HydrophobicContact CE1-CD2 3.95Å; F301-L311 HydrophobicContact CE1-CG 4.46Å; F301-L311 HydrophobicContact CE2-CD1 4.46Å; F301-L311 HydrophobicContact CG-CD1 4.25Å; F301-L311 HydrophobicContact CZ-CD1 3.97Å; F301-L348 HydrophobicContact CE1-CD1 4.08Å; F301-L348 HydrophobicContact CE2-CD1 4.02Å; F301-L348 HydrophobicContact CZ-CD1 3.66Å; F301-I356 HydrophobicContact CB-CG1 4.39Å; F301-I356 HydrophobicContact CD2-CG2 3.94Å; F301-I356 HydrophobicContact CE2-CG2 4.46Å; F301-V359 HydrophobicContact CD2-CB 3.76Å; F301-V359 HydrophobicContact CD2-CG1 3.44Å; F301-V359 VanDerWaalsContact CD2-CG1 3.44Å; F301-V359 HydrophobicContact CE2-CB 4.26Å; F301-V359 HydrophobicContact CE2-CG1 3.64Å; F301-V359 HydrophobicContact CG-CB 4.49Å; F301-V359 HydrophobicContact CG-CG1 4.05Å; F301-V359 HydrophobicContact CZ-CG1 4.39Å; F301-L360 HydrophobicContact CE2-CD2 3.88Å; F301-L360 HydrophobicContact CE2-CG 4.06Å |
| 302 | A | 95.2 | Very high | 95.2 | Very high | 52 Ų | 52 | 37.2 Ų | 37.2 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -14.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S298 V300 P304 | S298-A302 PolarHBondContact O-N 3.23Å; V300-A302 PolarHBondContact O-N 3.29Å; A302-P304 WeakPolarHBondContact O-CD 3.44Å |
| 303 | E | 96.6 | Very high | 95 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | trans | -96.5 | 110.1 | -170.3 | -63.1 | -70.4 | 168.6 | 0 | 0 | 111.1 | K268 F272 L299 V300 F301 M305 A306 V307 | K268-E303 WeakPolarHBondContact CD-OE1 3.4Å; K268-E303 WeakPolarHBondContact CE-OE1 3.3Å; K268-E303 IonicContact NZ-OE1 3.41Å; K268-E303 PolarHBondContact NZ-OE1 3.22Å; F272-E303 HydrophobicContact CD2-CB 4.04Å; F272-E303 HydrophobicContact CD2-CG 4.38Å; F272-E303 HydrophobicContact CE2-CB 3.81Å; F272-E303 HydrophobicContact CE2-CG 3.71Å; F272-E303 HydrophobicContact CZ-CB 4.5Å; F272-E303 HydrophobicContact CZ-CG 4.36Å; L299-E303 VanDerWaalsContact O-CG 3.3Å; L299-E303 WeakPolarHBondContact O-CG 3.44Å; V300-E303 PolarHBondContact O-N 3.18Å; F301-E303 VanDerWaalsContact C-N 3.31Å; E303-M305 VanDerWaalsContact C-N 3.26Å; E303-M305 PolarHBondContact O-N 2.88Å; E303-M305 VanDerWaalsContact O-N 3.13Å; E303-A306 HydrophobicContact CB-CB 3.96Å; E303-A306 WeakPolarHBondContact O-CB 3.43Å; E303-A306 PolarHBondContact O-N 3.47Å; E303-V307 PolarHBondContact O-N 3.31Å; E303-V307 VanDerWaalsContact O-N 3.11Å | ||
| 304 | P | 95.2 | Very high | 95.1 | Very high | 95 Ų | 95 | 37 Ų | 37 | 62% | 0.617 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.8 | -32.1 | -169.4 | -26.2 | 35.7 | 0 | 0 | 0 | 114.2 | A302 K308 | A302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-K308 WeakPolarHBondContact O-CB 3.14Å; P304-K308 PolarHBondContact O-N 2.88Å |
| 305 | M | 96.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 34.5 Ų | 34.5 | 24% | 0.236 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.4 | -35.3 | 176.4 | -167.5 | 66.9 | 66.8 | 0 | 0 | 112.3 | N269 F272 K273 E303 S309 | N269-M305 HydrophobicContact CB-CE 4.32Å; F272-M305 HydrophobicContact CB-CB 3.9Å; F272-M305 HydrophobicContact CB-CG 3.85Å; K273-M305 HydrophobicContact CB-CG 4.1Å; K273-M305 HydrophobicContact CB-SD 4.15Å; E303-M305 VanDerWaalsContact C-N 3.26Å; E303-M305 PolarHBondContact O-N 2.88Å; E303-M305 VanDerWaalsContact O-N 3.13Å; M305-S309 VanDerWaalsContact O-CB 3.25Å; M305-S309 WeakPolarHBondContact O-CB 3.28Å; M305-S309 PolarHBondContact O-N 1.78Å; M305-S309 PolarHBondContact O-OG 2.86Å; M305-S309 PolarHBondContact SD-OG 3.13Å |
| 306 | A | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.3 | -47.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F272 V300 E303 K308 F310 L311 | F272-A306 HydrophobicContact CB-CB 4.22Å; F272-A306 HydrophobicContact CD1-CB 3.5Å; F272-A306 HydrophobicContact CD2-CB 4.1Å; F272-A306 HydrophobicContact CE1-CB 3.8Å; F272-A306 HydrophobicContact CE2-CB 4.37Å; F272-A306 HydrophobicContact CG-CB 3.68Å; F272-A306 HydrophobicContact CZ-CB 4.23Å; V300-A306 HydrophobicContact CG1-CB 3.75Å; V300-A306 WeakPolarHBondContact O-CB 3.46Å; E303-A306 HydrophobicContact CB-CB 3.96Å; E303-A306 WeakPolarHBondContact O-CB 3.43Å; E303-A306 PolarHBondContact O-N 3.47Å; A306-K308 VanDerWaalsContact C-N 3.35Å; A306-K308 PolarHBondContact O-N 2.98Å; A306-F310 PolarHBondContact O-N 3.46Å; A306-L311 PolarHBondContact O-N 2.93Å |
| 307 | V | 95.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 40 Ų | 40 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | F301 E303 L311 P312 V359 H363 | F301-V307 WeakPolarHBondContact O-CG2 3.28Å; E303-V307 PolarHBondContact O-N 3.31Å; E303-V307 VanDerWaalsContact O-N 3.11Å; V307-L311 HydrophobicContact CG2-CD1 4.13Å; V307-P312 WeakPolarHBondContact O-CD 3.42Å; V307-V359 HydrophobicContact CB-CG2 4.47Å; V307-V359 HydrophobicContact CG1-CG1 4.18Å; V307-V359 HydrophobicContact CG1-CG2 3.94Å; V307-V359 HydrophobicContact CG2-CG1 4.07Å; V307-V359 HydrophobicContact CG2-CG2 3.63Å; V307-H363 PolarHBondContact O-NE2 3.28Å |
| 308 | K | 93.3 | Very high | 94.4 | Very high | 168 Ų | 168 | 39.7 Ų | 39.7 | 73% | 0.73 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -77.9 | -44 | -177 | -174.4 | 179.6 | 177 | -176.1 | 0 | 113.9 | P304 A306 | P304-K308 WeakPolarHBondContact O-CB 3.14Å; P304-K308 PolarHBondContact O-N 2.88Å; A306-K308 VanDerWaalsContact C-N 3.35Å; A306-K308 PolarHBondContact O-N 2.98Å |
| 309 | S | 91.9 | Very high | 93.7 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 25% | 0.245 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -112.1 | -8 | -161.4 | -49 | 0 | 0 | 0 | 0 | 114.2 | M305 | M305-S309 VanDerWaalsContact O-CB 3.25Å; M305-S309 WeakPolarHBondContact O-CB 3.28Å; M305-S309 PolarHBondContact O-N 1.78Å; M305-S309 PolarHBondContact O-OG 2.86Å; M305-S309 PolarHBondContact SD-OG 3.13Å |
| 310 | F | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -48.9 | -175.4 | -178.1 | -100.5 | 0 | 0 | 0 | 114 | L275 L276 V279 L295 A306 P312 H313 L314 L331 | L275-F310 HydrophobicContact CB-CD2 4.02Å; L275-F310 HydrophobicContact CB-CE2 4.37Å; L275-F310 HydrophobicContact CB-CG 4.5Å; L275-F310 HydrophobicContact CD2-CD1 3.86Å; L275-F310 HydrophobicContact CD2-CD2 3.88Å; L275-F310 HydrophobicContact CD2-CE1 3.88Å; L275-F310 HydrophobicContact CD2-CE2 3.9Å; L275-F310 HydrophobicContact CD2-CG 3.86Å; L275-F310 HydrophobicContact CD2-CZ 3.91Å; L275-F310 HydrophobicContact CG-CD2 3.81Å; L275-F310 HydrophobicContact CG-CE2 3.71Å; L275-F310 HydrophobicContact CG-CG 4.3Å; L275-F310 HydrophobicContact CG-CZ 4.13Å; L276-F310 HydrophobicContact CB-CD2 4.25Å; V279-F310 HydrophobicContact CB-CE2 4.29Å; V279-F310 HydrophobicContact CG2-CE2 4.14Å; V279-F310 HydrophobicContact CG2-CZ 4.28Å; L295-F310 HydrophobicContact CB-CE1 4.32Å; L295-F310 HydrophobicContact CD1-CE1 3.81Å; L295-F310 HydrophobicContact CD1-CZ 3.76Å; L295-F310 HydrophobicContact CD2-CE1 3.92Å; L295-F310 HydrophobicContact CD2-CZ 4.39Å; L295-F310 HydrophobicContact CG-CE1 4.25Å; A306-F310 PolarHBondContact O-N 3.46Å; F310-P312 VanDerWaalsContact C-N 3.34Å; F310-H313 WeakPolarHBondContact O-CB 3.34Å; F310-H313 PolarHBondContact O-N 2.92Å; F310-L314 HydrophobicContact CE1-CB 4.27Å; F310-L314 HydrophobicContact CE1-CD2 3.93Å; F310-L314 HydrophobicContact CZ-CD2 4.44Å; F310-L314 PolarHBondContact O-N 3.02Å; F310-L331 HydrophobicContact CE2-CD1 3.77Å; F310-L331 HydrophobicContact CZ-CD1 3.84Å |
| 311 | L | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.5 | -37.1 | -179.3 | -67.2 | -172.4 | 0 | 0 | 0 | 114.4 | L296 F301 A306 V307 H313 L314 L315 V359 | L296-L311 HydrophobicContact CD2-CD2 4.05Å; F301-L311 HydrophobicContact CD1-CD1 3.75Å; F301-L311 HydrophobicContact CE1-CD1 3.58Å; F301-L311 HydrophobicContact CE1-CD2 3.95Å; F301-L311 HydrophobicContact CE1-CG 4.46Å; F301-L311 HydrophobicContact CE2-CD1 4.46Å; F301-L311 HydrophobicContact CG-CD1 4.25Å; F301-L311 HydrophobicContact CZ-CD1 3.97Å; A306-L311 PolarHBondContact O-N 2.93Å; V307-L311 HydrophobicContact CG2-CD1 4.13Å; L311-H313 PolarHBondContact O-N 3.28Å; L311-H313 VanDerWaalsContact O-N 3.14Å; L311-L314 PolarHBondContact O-N 2.89Å; L311-L315 HydrophobicContact CB-CD1 4.14Å; L311-L315 VanDerWaalsContact O-CB 3.29Å; L311-L315 WeakPolarHBondContact O-CB 3.49Å; L311-L315 WeakPolarHBondContact O-CG 3.13Å; L311-L315 PolarHBondContact O-N 3.44Å; L311-V359 HydrophobicContact CD1-CG1 3.79Å |
| 312 | P | 93.8 | Very high | 88 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.8 | -27 | 176.2 | -26.1 | 36.3 | 0 | 0 | 0 | 114.3 | V307 F310 R316 I366 | V307-P312 WeakPolarHBondContact O-CD 3.42Å; F310-P312 VanDerWaalsContact C-N 3.34Å; P312-R316 WeakPolarHBondContact O-CB 3.43Å; P312-R316 PolarHBondContact O-N 3.03Å; P312-I366 HydrophobicContact CB-CD1 4.23Å |
| 313 | H | 93.4 | Very high | 85.9 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 21% | 0.213 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -87.5 | -25 | -178.1 | -60.7 | -94.1 | 0 | 0 | 0 | 113.1 | L276 F310 L311 D329 L331 | L276-H313 HydrophobicContact CD1-CB 3.67Å; L276-H313 HydrophobicContact CD2-CB 4.44Å; L276-H313 WeakPolarHBondContact CD2-ND1 3.46Å; F310-H313 WeakPolarHBondContact O-CB 3.34Å; F310-H313 PolarHBondContact O-N 2.92Å; L311-H313 PolarHBondContact O-N 3.28Å; L311-H313 VanDerWaalsContact O-N 3.14Å; H313-D329 WeakPolarHBondContact CB-O 3.35Å; H313-D329 IonicContact CE1-OD2 3.94Å; H313-D329 WeakPolarHBondContact ND1-CB 3.47Å; H313-D329 PolarHBondContact ND1-O 3.15Å; H313-L331 PolarHBondContact O-N 3.3Å; H313-L331 VanDerWaalsContact O-N 3.09Å |
| 314 | L | 95.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -88.5 | -34.3 | 175.2 | -167.9 | 65.8 | 0 | 0 | 0 | 112.5 | I287 V292 L295 L296 F310 L311 L331 L332 | I287-L314 HydrophobicContact CG2-CD1 4.46Å; V292-L314 HydrophobicContact CG2-CD1 3.92Å; L295-L314 HydrophobicContact CB-CD2 3.84Å; L295-L314 HydrophobicContact CD1-CD2 4.23Å; L296-L314 HydrophobicContact CD2-CD2 3.82Å; L296-L314 HydrophobicContact CG-CD2 4.03Å; F310-L314 HydrophobicContact CE1-CB 4.27Å; F310-L314 HydrophobicContact CE1-CD2 3.93Å; F310-L314 HydrophobicContact CZ-CD2 4.44Å; F310-L314 PolarHBondContact O-N 3.02Å; L311-L314 PolarHBondContact O-N 2.89Å; L314-L331 HydrophobicContact CB-CD1 4.31Å; L314-L331 HydrophobicContact CD1-CB 4.38Å; L314-L331 HydrophobicContact CD1-CD1 3.83Å; L314-L332 HydrophobicContact CD1-CD1 4.22Å |
| 315 | L | 95.1 | Very high | 81.3 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -83.2 | -9.8 | 178.8 | -62.2 | 175.6 | 0 | 0 | 0 | 113.4 | L296 L311 H337 V341 L345 H363 Y367 | L296-L315 HydrophobicContact CD2-CD2 4.04Å; L311-L315 HydrophobicContact CB-CD1 4.14Å; L311-L315 VanDerWaalsContact O-CB 3.29Å; L311-L315 WeakPolarHBondContact O-CB 3.49Å; L311-L315 WeakPolarHBondContact O-CG 3.13Å; L311-L315 PolarHBondContact O-N 3.44Å; L315-H337 PolarHBondContact O-NE2 2.82Å; L315-V341 HydrophobicContact CD2-CG1 4.2Å; L315-L345 HydrophobicContact CD2-CD1 4.08Å; L315-L345 HydrophobicContact CD2-CD2 3.79Å; L315-L345 HydrophobicContact CD2-CG 4.37Å; L315-H363 HydrophobicContact CD1-CB 3.8Å; L315-Y367 HydrophobicContact CB-CD1 4.24Å; L315-Y367 HydrophobicContact CD1-CD1 4.24Å; L315-Y367 HydrophobicContact CD1-CE1 4.33Å; L315-Y367 HydrophobicContact CD2-CD1 4.45Å |
| 316 | R | 92.3 | Very high | 79.1 | Confident | 115 Ų | 115 | 72.6 Ų | 72.6 | 43% | 0.434 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -104.1 | 118 | 173.2 | -172.7 | 174 | -68.1 | -176.7 | 0.7 | 109.6 | P312 I366 | P312-R316 WeakPolarHBondContact O-CB 3.43Å; P312-R316 PolarHBondContact O-N 3.03Å; R316-I366 HydrophobicContact CB-CG2 3.59Å; R316-I366 HydrophobicContact CG-CG2 4.16Å |
| 317 | P | 91.3 | Very high | 77.1 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 5% | 0.045 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 147.7 | 171 | 28.2 | -31.7 | 0 | 0 | 0 | 111.6 | K319 L332 V334 H337 F370 | P317-K319 PolarHBondContact O-N 2.55Å; P317-L332 CarbonylContact C-O 3.41Å; P317-L332 WeakPolarHBondContact CA-O 3.4Å; P317-V334 HydrophobicContact CB-CG2 4.1Å; P317-V334 HydrophobicContact CG-CG2 4.4Å; P317-H337 HydrophobicContact CB-CB 3.83Å; P317-F370 VanDerWaalsContact CD-CE2 3.43Å; P317-F370 HydrophobicContact CG-CD1 4.09Å; P317-F370 HydrophobicContact CG-CD2 3.88Å; P317-F370 HydrophobicContact CG-CE1 3.63Å; P317-F370 HydrophobicContact CG-CE2 3.4Å; P317-F370 VanDerWaalsContact CG-CE2 3.4Å; P317-F370 HydrophobicContact CG-CG 4.22Å; P317-F370 HydrophobicContact CG-CZ 3.28Å |
| 318 | K | 88.7 | Confident | 75.3 | Confident | 80 Ų | 80 | 81.5 Ų | 81.5 | 35% | 0.348 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 131.6 | 163.1 | -65.2 | 173 | -178.7 | 165.4 | 0 | 108.7 | E284 C330 L331 L332 V334 | E284-K318 IonicContact OE2-NZ 3.84Å; E284-K318 PolarHBondContact OE2-NZ 3.4Å; K318-C330 HydrophobicContact CB-CB 4.43Å; K318-C330 WeakPolarHBondContact CE-O 3.36Å; K318-C330 HydrophobicContact CG-CB 3.82Å; K318-C330 WeakPolarHBondContact CG-O 3.44Å; K318-L331 VanDerWaalsContact CE-C 3.46Å; K318-L331 WeakPolarHBondContact CE-O 3.49Å; K318-L331 PolarHBondContact NZ-O 2.92Å; K318-L332 PolarHBondContact N-O 3.42Å; K318-V334 WeakPolarHBondContact O-CG2 3.34Å |
| 319 | K | 79.4 | Confident | 74.3 | Confident | 148 Ų | 148 | 77.3 Ų | 77.3 | 64% | 0.643 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -102.3 | 126.9 | -179 | -167.7 | 172.3 | -172.6 | 165.8 | 0 | 109.6 | P317 S321 | P317-K319 PolarHBondContact O-N 2.55Å; K319-S321 PolarHBondContact O-N 3.49Å |
| 320 | D | 62.7 | Low | 74.1 | Confident | 151 Ų | 151 | 76.3 Ų | 76.3 | 81% | 0.807 | 42% | 0.415 | S | S | * | . | trans | -74.5 | 55.1 | 178.6 | -57.2 | -52.7 | 0 | 0 | 0 | 112.2 | ||||
| 321 | S | 52.3 | Low | 73.9 | Confident | 60 Ų | 60 | 76.5 Ų | 76.5 | 42% | 0.42 | 42% | 0.416 | S | S | . | . | trans | -111 | 115.3 | 178.7 | 42.3 | 0 | 0 | 0 | 0 | 110.7 | K319 Q323 | K319-S321 PolarHBondContact O-N 3.49Å; S321-Q323 PolarHBondContact O-N 3.16Å | ||
| 322 | S | 51.8 | Low | 73.8 | Confident | 129 Ų | 129 | 76.6 Ų | 76.6 | 90% | 0.902 | 42% | 0.416 | S | S | * | . | trans | -75.5 | 42.8 | 175.5 | 66.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 323 | Q | 51.3 | Low | 73.8 | Confident | 160 Ų | 160 | 76.3 Ų | 76.3 | 75% | 0.748 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -130.1 | 122.4 | 168.6 | -76.2 | -166.5 | -100.7 | 0 | 0 | 108.5 | S321 D325 | S321-Q323 PolarHBondContact O-N 3.16Å; Q323-D325 PolarHBondContact O-N 2.8Å; Q323-D325 VanDerWaalsContact O-N 3.09Å |
| 324 | D | 49.8 | Very low | 73.7 | Confident | 156 Ų | 156 | 75.9 Ų | 75.9 | 83% | 0.834 | 42% | 0.415 | S | S | * | . | trans | -71.6 | 88.8 | 178.6 | -174.8 | 19.9 | 0 | 0 | 0 | 109.4 | ||||
| 325 | D | 45.2 | Very low | 73.6 | Confident | 146 Ų | 146 | 79.8 Ų | 79.8 | 78% | 0.781 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -145.3 | 57 | -172.4 | -152.6 | 15.5 | 0 | 0 | 0 | 111.1 | Q323 S327 | Q323-D325 PolarHBondContact O-N 2.8Å; Q323-D325 VanDerWaalsContact O-N 3.09Å; D325-S327 PolarHBondContact O-N 3.13Å |
| 326 | G | 51.2 | Low | 73.6 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 70% | 0.701 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 72.2 | 22.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 327 | S | 53.7 | Low | 73.7 | Confident | 55 Ų | 55 | 75.2 Ų | 75.2 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | trans | -95.8 | 26.6 | 177 | 75.2 | 0 | 0 | 0 | 0 | 114.2 | D325 D329 C330 | D325-S327 PolarHBondContact O-N 3.13Å; S327-D329 PolarHBondContact O-N 3.28Å; S327-C330 PolarHBondContact O-SG 2.88Å | ||
| 328 | E | 58.5 | Low | 73.9 | Confident | 159 Ų | 159 | 81 Ų | 81 | 74% | 0.743 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -44.5 | -158.5 | -56.4 | -159.3 | 97.4 | 0 | 0 | 113.7 | C330 | E328-C330 PolarHBondContact O-N 3.06Š|
| 329 | D | 71.9 | Confident | 74.2 | Confident | 79 Ų | 79 | 82.5 Ų | 82.5 | 42% | 0.422 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 36.2 | -168 | -31.8 | -59.3 | 0 | 0 | 0 | 114.4 | L276 H313 S327 | L276-D329 HydrophobicContact CD2-CB 3.95Å; H313-D329 WeakPolarHBondContact CB-O 3.35Å; H313-D329 IonicContact CE1-OD2 3.94Å; H313-D329 WeakPolarHBondContact ND1-CB 3.47Å; H313-D329 PolarHBondContact ND1-O 3.15Å; S327-D329 PolarHBondContact O-N 3.28Å |
| 330 | C | 86.9 | Confident | 75 | Confident | 14 Ų | 14 | 77.6 Ų | 77.6 | 10% | 0.095 | 43% | 0.434 | C | S | . | . | trans | -85.5 | 134.8 | 175.6 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | K318 S327 E328 | K318-C330 HydrophobicContact CB-CB 4.43Å; K318-C330 WeakPolarHBondContact CE-O 3.36Å; K318-C330 HydrophobicContact CG-CB 3.82Å; K318-C330 WeakPolarHBondContact CG-O 3.44Å; S327-C330 PolarHBondContact O-SG 2.88Å; E328-C330 PolarHBondContact O-N 3.06Å | ||
| 331 | L | 90.9 | Very high | 76.6 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.026 | 40% | 0.395 | C | S | . | . | trans | -84.7 | -37.2 | -168.3 | -71.8 | 174.9 | 0 | 0 | 0 | 115.8 | L276 V279 Q280 F310 H313 L314 K318 | L276-L331 HydrophobicContact CD1-CD1 4.26Å; L276-L331 HydrophobicContact CD1-CD2 3.98Å; L276-L331 HydrophobicContact CD1-CG 4.11Å; V279-L331 HydrophobicContact CB-CD2 4.44Å; V279-L331 HydrophobicContact CG1-CD1 3.81Å; V279-L331 HydrophobicContact CG1-CD2 3.91Å; V279-L331 HydrophobicContact CG1-CG 4.48Å; Q280-L331 HydrophobicContact CB-CD2 4.06Å; F310-L331 HydrophobicContact CE2-CD1 3.77Å; F310-L331 HydrophobicContact CZ-CD1 3.84Å; H313-L331 PolarHBondContact O-N 3.3Å; H313-L331 VanDerWaalsContact O-N 3.09Å; L314-L331 HydrophobicContact CB-CD1 4.31Å; L314-L331 HydrophobicContact CD1-CB 4.38Å; L314-L331 HydrophobicContact CD1-CD1 3.83Å; K318-L331 VanDerWaalsContact CE-C 3.46Å; K318-L331 WeakPolarHBondContact CE-O 3.49Å; K318-L331 PolarHBondContact NZ-O 2.92Å | ||
| 332 | L | 93.8 | Very high | 78.8 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.3 | -168.1 | -58.8 | 177.9 | 0 | 0 | 0 | 112.9 | E284 I287 A288 V292 L314 P317 K318 H337 V341 | E284-L332 HydrophobicContact CG-CD2 3.68Å; I287-L332 HydrophobicContact CB-CD2 4.01Å; I287-L332 HydrophobicContact CG2-CD2 3.92Å; A288-L332 HydrophobicContact CB-CD1 4.32Å; A288-L332 HydrophobicContact CB-CD2 3.9Å; V292-L332 HydrophobicContact CG2-CD1 3.73Å; L314-L332 HydrophobicContact CD1-CD1 4.22Å; P317-L332 CarbonylContact C-O 3.41Å; P317-L332 WeakPolarHBondContact CA-O 3.4Å; K318-L332 PolarHBondContact N-O 3.42Å; L332-H337 HydrophobicContact CB-CB 4.37Å; L332-V341 HydrophobicContact CD1-CG2 3.73Å |
| 333 | S | 93.1 | Very high | 80.9 | Confident | 23 Ų | 23 | 64 Ų | 64 | 16% | 0.161 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 158 | 168.8 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | E284 S335 L336 H337 | E284-S333 VanDerWaalsContact CD-N 3.31Å; E284-S333 WeakPolarHBondContact OE1-CB 3.37Å; E284-S333 PolarHBondContact OE1-N 3.39Å; E284-S333 PolarHBondContact OE1-OG 2.96Å; S333-S335 PolarHBondContact O-N 3.36Å; S333-S335 VanDerWaalsContact O-N 3.15Å; S333-S335 PolarHBondContact OG-OG 3.42Å; S333-L336 PolarHBondContact O-N 3.07Å; S333-H337 VanDerWaalsContact O-CB 3.28Å; S333-H337 WeakPolarHBondContact O-CB 3.33Å; S333-H337 PolarHBondContact O-N 2.88Å |
| 334 | V | 92.9 | Very high | 83.1 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 22% | 0.218 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.5 | -33.3 | -178.7 | -174 | 0 | 0 | 0 | 0 | 112.6 | P317 K318 R338 F370 | P317-V334 HydrophobicContact CB-CG2 4.1Å; P317-V334 HydrophobicContact CG-CG2 4.4Å; K318-V334 WeakPolarHBondContact O-CG2 3.34Å; V334-R338 WeakPolarHBondContact O-CB 3.5Å; V334-R338 WeakPolarHBondContact O-CG 3.38Å; V334-R338 PolarHBondContact O-N 3.43Å; V334-R338 VanDerWaalsContact O-N 3.09Å; V334-F370 HydrophobicContact CG1-CD1 4.07Å; V334-F370 HydrophobicContact CG1-CE1 4.21Å |
| 335 | S | 93.3 | Very high | 85.3 | Confident | 82 Ų | 82 | 50.7 Ų | 50.7 | 57% | 0.573 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -68.9 | -50.7 | 176.7 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | S333 R338 K339 | S333-S335 PolarHBondContact O-N 3.36Å; S333-S335 VanDerWaalsContact O-N 3.15Å; S333-S335 PolarHBondContact OG-OG 3.42Å; S335-R338 PolarHBondContact O-N 2.92Å; S335-K339 WeakPolarHBondContact O-CB 3.42Å; S335-K339 PolarHBondContact O-N 2.75Å |
| 336 | L | 94.5 | Very high | 87.8 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71.7 | -34.7 | -180 | -63.7 | -168.6 | 0 | 0 | 0 | 112.4 | E284 E285 A288 S333 K339 H340 | E284-L336 HydrophobicContact CB-CD1 4.26Å; E284-L336 HydrophobicContact CG-CD1 4Å; E285-L336 HydrophobicContact CB-CD1 4.24Å; E285-L336 VanDerWaalsContact OE2-CD2 3.23Å; E285-L336 WeakPolarHBondContact OE2-CD2 3.29Å; A288-L336 HydrophobicContact CB-CB 4.05Å; A288-L336 HydrophobicContact CB-CD1 4.22Å; S333-L336 PolarHBondContact O-N 3.07Å; L336-K339 HydrophobicContact CD2-CD 3.94Å; L336-K339 PolarHBondContact O-N 3.42Å; L336-H340 WeakPolarHBondContact O-CB 3.14Å; L336-H340 PolarHBondContact O-N 3.5Å |
| 337 | H | 95 | Very high | 90 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -58.6 | -46.8 | 169.6 | 179.8 | -90.7 | 0 | 0 | 0 | 111.7 | L315 P317 L332 S333 V341 I342 F370 | L315-H337 PolarHBondContact O-NE2 2.82Å; P317-H337 HydrophobicContact CB-CB 3.83Å; L332-H337 HydrophobicContact CB-CB 4.37Å; S333-H337 VanDerWaalsContact O-CB 3.28Å; S333-H337 WeakPolarHBondContact O-CB 3.33Å; S333-H337 PolarHBondContact O-N 2.88Å; H337-V341 WeakPolarHBondContact NE2-CG1 3.38Å; H337-V341 WeakPolarHBondContact O-CA 3.45Å; H337-V341 VanDerWaalsContact O-CB 3.31Å; H337-V341 WeakPolarHBondContact O-CB 3.49Å; H337-V341 PolarHBondContact O-N 3.42Å; H337-I342 PolarHBondContact O-N 3.48Å; H337-F370 AromaticContact CE1-CD2 3.83Å |
| 338 | R | 94.8 | Very high | 92 | Very high | 128 Ų | 128 | 45.1 Ų | 45.1 | 48% | 0.483 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -66.6 | -37 | 174.9 | -81.6 | -178.6 | 165.1 | 148.5 | 1.4 | 113.5 | V334 S335 I342 F370 | V334-R338 WeakPolarHBondContact O-CB 3.5Å; V334-R338 WeakPolarHBondContact O-CG 3.38Å; V334-R338 PolarHBondContact O-N 3.43Å; V334-R338 VanDerWaalsContact O-N 3.09Å; S335-R338 PolarHBondContact O-N 2.92Å; R338-I342 HydrophobicContact CG-CG1 4.43Å; R338-F370 HydrophobicContact CG-CB 4.42Å; R338-F370 PolarHBondContact NE-O 2.89Å; R338-F370 PolarHBondContact NH2-O 3.19Å |
| 339 | K | 95.6 | Very high | 93.9 | Very high | 111 Ų | 111 | 37.6 Ų | 37.6 | 48% | 0.483 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -68 | -39.6 | 178.6 | -178.5 | -175.8 | 170.2 | -165.7 | 0 | 112.6 | E285 S335 L336 | E285-K339 VanDerWaalsContact CD-NZ 3.29Å; E285-K339 IonicContact OE1-NZ 3.68Å; E285-K339 PolarHBondContact OE1-NZ 3.19Å; E285-K339 IonicContact OE2-NZ 3.64Å; E285-K339 PolarHBondContact OE2-NZ 3.13Å; S335-K339 WeakPolarHBondContact O-CB 3.42Å; S335-K339 PolarHBondContact O-N 2.75Å; L336-K339 HydrophobicContact CD2-CD 3.94Å; L336-K339 PolarHBondContact O-N 3.42Å |
| 340 | H | 95.8 | Very high | 95 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -122.4 | -32.7 | -165.7 | -65.8 | -77.6 | 0 | 0 | 0 | 115.6 | E285 A288 S289 V292 L336 Q344 | E285-H340 IonicContact OE1-CD2 3.16Å; E285-H340 IonicContact OE1-CE1 2.77Å; E285-H340 CovalentContact OE1-NE2 1.78Å; E285-H340 IonicContact OE1-NE2 3.39Å; E285-H340 PolarHBondContact OE1-NE2 2.84Å; E285-H340 IonicContact OE2-NE2 2.72Å; A288-H340 HydrophobicContact CB-CB 4.13Å; A288-H340 WeakPolarHBondContact CB-CD2 3.23Å; A288-H340 VanDerWaalsContact O-CB 3.3Å; A288-H340 WeakPolarHBondContact O-CB 3.5Å; A288-H340 VanDerWaalsContact O-CG 3.31Å; A288-H340 PolarHBondContact O-ND1 3.38Å; S289-H340 VanDerWaalsContact CA-CE1 3.49Å; S289-H340 WeakPolarHBondContact CA-CE1 3.41Å; S289-H340 WeakPolarHBondContact CB-CE1 3.38Å; V292-H340 HydrophobicContact CG1-CB 4.49Å; V292-H340 WeakPolarHBondContact CG1-O 3.21Å; L336-H340 WeakPolarHBondContact O-CB 3.14Å; L336-H340 PolarHBondContact O-N 3.5Å; H340-Q344 VanDerWaalsContact O-CG 3.28Å; H340-Q344 WeakPolarHBondContact O-CG 3.5Å |
| 341 | V | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -83.4 | -49.3 | 179.4 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | V292 L296 L315 L332 H337 Q344 L345 | V292-V341 HydrophobicContact CG1-CG2 3.85Å; V292-V341 HydrophobicContact CG2-CG2 4.03Å; L296-V341 HydrophobicContact CD1-CB 4.22Å; L296-V341 HydrophobicContact CD1-CG1 3.77Å; L296-V341 HydrophobicContact CD1-CG2 4.17Å; L315-V341 HydrophobicContact CD2-CG1 4.2Å; L332-V341 HydrophobicContact CD1-CG2 3.73Å; H337-V341 WeakPolarHBondContact NE2-CG1 3.38Å; H337-V341 WeakPolarHBondContact O-CA 3.45Å; H337-V341 VanDerWaalsContact O-CB 3.31Å; H337-V341 WeakPolarHBondContact O-CB 3.49Å; H337-V341 PolarHBondContact O-N 3.42Å; V341-Q344 PolarHBondContact O-N 3.43Å; V341-L345 HydrophobicContact CG1-CD1 3.68Å; V341-L345 HydrophobicContact CG1-CG 4.08Å; V341-L345 PolarHBondContact O-N 2.86Å |
| 342 | I | 96.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.5 | -45.2 | -177.3 | -65.8 | -66.1 | 0 | 0 | 0 | 113.1 | H337 R338 Q344 L345 L346 F370 F371 | H337-I342 PolarHBondContact O-N 3.48Å; R338-I342 HydrophobicContact CG-CG1 4.43Å; I342-Q344 VanDerWaalsContact C-N 3.28Å; I342-Q344 PolarHBondContact O-N 3.18Å; I342-L345 HydrophobicContact CD1-CD1 4.37Å; I342-L345 PolarHBondContact O-N 2.89Å; I342-L346 HydrophobicContact CG2-CD1 4.44Å; I342-L346 WeakPolarHBondContact O-CG 3.38Å; I342-L346 PolarHBondContact O-N 3.31Å; I342-F370 HydrophobicContact CD1-CB 4.01Å; I342-F370 HydrophobicContact CG1-CB 4.44Å; I342-F371 HydrophobicContact CD1-CD1 3.91Å; I342-F371 HydrophobicContact CD1-CE1 3.93Å; I342-F371 HydrophobicContact CD1-CG 4.19Å; I342-F371 HydrophobicContact CD1-CZ 4.29Å; I342-F371 HydrophobicContact CG2-CD1 3.61Å; I342-F371 HydrophobicContact CG2-CE1 3.84Å |
| 343 | P | 96.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.8 | -22.6 | 177.8 | -23.7 | 36.5 | 0 | 0 | 0 | 114.9 | K347 | P343-K347 WeakPolarHBondContact O-CE 3.4Å; P343-K347 WeakPolarHBondContact O-CG 3.45Å |
| 344 | Q | 97.1 | Very high | 95.7 | Very high | 36 Ų | 36 | 54 Ų | 54 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -82.5 | -37.4 | 173.8 | -50.2 | -64.6 | 11.8 | 0 | 0 | 110.8 | V292 L296 H340 V341 I342 L346 K347 L348 | V292-Q344 HydrophobicContact CG1-CG 4.25Å; L296-Q344 HydrophobicContact CB-CB 4.16Å; L296-Q344 HydrophobicContact CD1-CB 4.14Å; H340-Q344 VanDerWaalsContact O-CG 3.28Å; H340-Q344 WeakPolarHBondContact O-CG 3.5Å; V341-Q344 PolarHBondContact O-N 3.43Å; I342-Q344 VanDerWaalsContact C-N 3.28Å; I342-Q344 PolarHBondContact O-N 3.18Å; Q344-L346 VanDerWaalsContact C-N 3.33Å; Q344-L346 PolarHBondContact O-N 2.97Å; Q344-K347 WeakPolarHBondContact O-CB 3.45Å; Q344-K347 PolarHBondContact O-N 2.97Å; Q344-K347 VanDerWaalsContact O-N 3.14Å; Q344-L348 WeakPolarHBondContact O-CG 3.23Å; Q344-L348 PolarHBondContact O-N 2.95Å |
| 345 | L | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 172.5 | -68 | 174.1 | 0 | 0 | 0 | 111.8 | L315 V341 I342 K347 L348 Y349 L360 Y367 F371 | L315-L345 HydrophobicContact CD2-CD1 4.08Å; L315-L345 HydrophobicContact CD2-CD2 3.79Å; L315-L345 HydrophobicContact CD2-CG 4.37Å; V341-L345 HydrophobicContact CG1-CD1 3.68Å; V341-L345 HydrophobicContact CG1-CG 4.08Å; V341-L345 PolarHBondContact O-N 2.86Å; I342-L345 HydrophobicContact CD1-CD1 4.37Å; I342-L345 PolarHBondContact O-N 2.89Å; L345-K347 VanDerWaalsContact C-N 3.27Å; L345-K347 PolarHBondContact O-N 3.1Å; L345-L348 HydrophobicContact CD2-CD1 4.41Å; L345-L348 PolarHBondContact O-N 3.38Å; L345-Y349 WeakPolarHBondContact O-CD2 3.13Å; L345-Y349 PolarHBondContact O-N 3.02Å; L345-L360 HydrophobicContact CD2-CD2 3.63Å; L345-Y367 HydrophobicContact CD1-CD1 4.45Å; L345-Y367 HydrophobicContact CD1-CD2 3.62Å; L345-Y367 HydrophobicContact CD1-CE2 3.95Å; L345-Y367 HydrophobicContact CD1-CG 3.9Å; L345-F371 HydrophobicContact CB-CE1 4.44Å; L345-F371 HydrophobicContact CB-CZ 4.16Å; L345-F371 HydrophobicContact CD1-CZ 4.47Å |
| 346 | L | 97.3 | Very high | 96 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.2 | -38.4 | 173.7 | -71.6 | 172.8 | 0 | 0 | 0 | 112.7 | I342 Q344 Q350 F371 E375 Q379 I380 | I342-L346 HydrophobicContact CG2-CD1 4.44Å; I342-L346 WeakPolarHBondContact O-CG 3.38Å; I342-L346 PolarHBondContact O-N 3.31Å; Q344-L346 VanDerWaalsContact C-N 3.33Å; Q344-L346 PolarHBondContact O-N 2.97Å; L346-Q350 WeakPolarHBondContact O-CG 3.3Å; L346-F371 HydrophobicContact CD2-CD1 4.26Å; L346-F371 HydrophobicContact CD2-CE1 3.92Å; L346-F371 HydrophobicContact CG-CE1 4.1Å; L346-E375 HydrophobicContact CD1-CG 4.33Å; L346-E375 HydrophobicContact CD2-CB 4.32Å; L346-E375 HydrophobicContact CD2-CG 4.45Å; L346-Q379 HydrophobicContact CD2-CB 4.13Å; L346-I380 HydrophobicContact CD2-CD1 3.86Å; L346-I380 HydrophobicContact CD2-CG1 4.34Å |
| 347 | K | 96.6 | Very high | 96.1 | Very high | 116 Ų | 116 | 51.1 Ų | 51.1 | 50% | 0.504 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71 | -45.7 | 174.6 | -63.3 | 168.7 | -161.9 | 169.2 | 0 | 111.7 | P343 Q344 L345 Y349 Q350 V351 | P343-K347 WeakPolarHBondContact O-CE 3.4Å; P343-K347 WeakPolarHBondContact O-CG 3.45Å; Q344-K347 WeakPolarHBondContact O-CB 3.45Å; Q344-K347 PolarHBondContact O-N 2.97Å; Q344-K347 VanDerWaalsContact O-N 3.14Å; L345-K347 VanDerWaalsContact C-N 3.27Å; L345-K347 PolarHBondContact O-N 3.1Å; K347-Y349 VanDerWaalsContact C-N 3.26Å; K347-Y349 PolarHBondContact O-N 2.87Å; K347-Q350 WeakPolarHBondContact O-CB 3.14Å; K347-Q350 PolarHBondContact O-N 3.42Å; K347-V351 PolarHBondContact O-N 2.77Å |
| 348 | L | 97.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61 | -34.5 | 179.4 | -71.5 | 171 | 0 | 0 | 0 | 112.1 | L296 F301 Q344 L345 Q350 V351 I356 L360 | L296-L348 HydrophobicContact CB-CD1 4.07Å; F301-L348 HydrophobicContact CE1-CD1 4.08Å; F301-L348 HydrophobicContact CE2-CD1 4.02Å; F301-L348 HydrophobicContact CZ-CD1 3.66Å; Q344-L348 WeakPolarHBondContact O-CG 3.23Å; Q344-L348 PolarHBondContact O-N 2.95Å; L345-L348 HydrophobicContact CD2-CD1 4.41Å; L345-L348 PolarHBondContact O-N 3.38Å; L348-Q350 VanDerWaalsContact C-N 3.25Å; L348-Q350 PolarHBondContact O-N 3.2Å; L348-V351 WeakPolarHBondContact O-CB 3.28Å; L348-V351 PolarHBondContact O-N 3.11Å; L348-V351 VanDerWaalsContact O-N 3.09Å; L348-I356 HydrophobicContact CB-CG2 4.23Å; L348-I356 HydrophobicContact CD2-CG2 4.21Å; L348-L360 HydrophobicContact CB-CD1 4.11Å; L348-L360 HydrophobicContact CB-CD2 4.31Å |
| 349 | Y | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -27.8 | 173.1 | -96 | -78.8 | 0 | 0 | 0 | 113.6 | L345 K347 V351 R357 L360 I364 Y367 I380 Q383 V384 | L345-Y349 WeakPolarHBondContact O-CD2 3.13Å; L345-Y349 PolarHBondContact O-N 3.02Å; K347-Y349 VanDerWaalsContact C-N 3.26Å; K347-Y349 PolarHBondContact O-N 2.87Å; Y349-V351 VanDerWaalsContact C-N 3.29Å; Y349-R357 PolarHBondContact O-NH2 2.89Å; Y349-L360 HydrophobicContact CD1-CD1 4.16Å; Y349-L360 HydrophobicContact CD2-CD1 3.85Å; Y349-L360 HydrophobicContact CD2-CD2 4.18Å; Y349-L360 HydrophobicContact CD2-CG 4.5Å; Y349-L360 HydrophobicContact CE1-CB 4.4Å; Y349-L360 HydrophobicContact CE1-CD1 4.32Å; Y349-L360 HydrophobicContact CE2-CB 4.12Å; Y349-L360 HydrophobicContact CE2-CD1 4.03Å; Y349-L360 HydrophobicContact CE2-CD2 3.94Å; Y349-L360 HydrophobicContact CE2-CG 4.27Å; Y349-L360 HydrophobicContact CG-CD1 3.92Å; Y349-I364 WeakPolarHBondContact OH-CD1 3.25Å; Y349-Y367 HydrophobicContact CE2-CE2 4.12Å; Y349-Y367 WeakPolarHBondContact CE2-OH 3.44Å; Y349-Y367 PolarHBondContact OH-OH 3.45Å; Y349-I380 HydrophobicContact CD1-CD1 4.5Å; Y349-I380 HydrophobicContact CD2-CD1 3.48Å; Y349-I380 VanDerWaalsContact CD2-CD1 3.48Å; Y349-I380 HydrophobicContact CE1-CG2 4.23Å; Y349-I380 HydrophobicContact CE2-CD1 3.85Å; Y349-I380 HydrophobicContact CE2-CG2 4.41Å; Y349-I380 HydrophobicContact CG-CD1 3.84Å; Y349-Q383 HydrophobicContact CD1-CB 3.92Å; Y349-Q383 PolarHBondContact O-OE1 2.76Å; Y349-V384 HydrophobicContact CE1-CG2 3.8Å |
| 350 | Q | 95.9 | Very high | 96.4 | Very high | 118 Ų | 118 | 42 Ų | 42 | 55% | 0.551 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -77.7 | -12.6 | 174.7 | -60.9 | 171.9 | 14 | 0 | 0 | 112.9 | L346 K347 L348 | L346-Q350 WeakPolarHBondContact O-CG 3.3Å; K347-Q350 WeakPolarHBondContact O-CB 3.14Å; K347-Q350 PolarHBondContact O-N 3.42Å; L348-Q350 VanDerWaalsContact C-N 3.25Å; L348-Q350 PolarHBondContact O-N 3.2Å |
| 351 | V | 95.7 | Very high | 96.5 | Very high | 45 Ų | 45 | 40 Ų | 40 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | trans | -80.8 | 122.8 | 175 | -170.5 | 0 | 0 | 0 | 0 | 109.2 | K347 L348 Y349 E353 I356 R357 | K347-V351 PolarHBondContact O-N 2.77Å; L348-V351 WeakPolarHBondContact O-CB 3.28Å; L348-V351 PolarHBondContact O-N 3.11Å; L348-V351 VanDerWaalsContact O-N 3.09Å; Y349-V351 VanDerWaalsContact C-N 3.29Å; V351-E353 VanDerWaalsContact C-N 3.27Å; V351-E353 HydrophobicContact CG1-CB 4.06Å; V351-E353 HydrophobicContact CG1-CG 3.76Å; V351-E353 WeakPolarHBondContact CG1-OE1 3.48Å; V351-E353 PolarHBondContact O-N 3.01Å; V351-I356 HydrophobicContact CB-CD1 4.09Å; V351-I356 HydrophobicContact CG1-CD1 3.7Å; V351-R357 PolarHBondContact O-NH2 3.35Å | ||
| 352 | N | 94 | Very high | 96.4 | Very high | 123 Ų | 123 | 42.5 Ų | 42.5 | 66% | 0.658 | 21% | 0.214 | S | C | * | . | trans | -92.6 | 53.4 | -179.1 | -67.1 | -42.3 | 0 | 0 | 0 | 111.2 | R357 | N352-R357 PolarHBondContact OD1-NH2 3.15Š| ||
| 353 | E | 95.3 | Very high | 96.4 | Very high | 82 Ų | 82 | 43.2 Ų | 43.2 | 38% | 0.383 | 22% | 0.217 | S | C | . | . | trans | -110.1 | 126.7 | 174.9 | -73.1 | 172.6 | -145.6 | 0 | 0 | 109.5 | V351 H355 I356 R357 | V351-E353 VanDerWaalsContact C-N 3.27Å; V351-E353 HydrophobicContact CG1-CB 4.06Å; V351-E353 HydrophobicContact CG1-CG 3.76Å; V351-E353 WeakPolarHBondContact CG1-OE1 3.48Å; V351-E353 PolarHBondContact O-N 3.01Å; E353-H355 PolarHBondContact O-N 3.37Å; E353-H355 IonicContact OE2-CE1 2.76Å; E353-H355 PolarHBondContact OE2-CE1 3.34Å; E353-H355 IonicContact OE2-NE2 2.72Å; E353-I356 HydrophobicContact CB-CB 4.36Å; E353-I356 HydrophobicContact CB-CD1 3.9Å; E353-I356 HydrophobicContact CB-CG1 3.95Å; E353-I356 HydrophobicContact CG-CD1 4.44Å; E353-I356 PolarHBondContact O-N 2.93Å; E353-I356 WeakPolarHBondContact OE2-CD1 3.48Å; E353-R357 PolarHBondContact O-N 2.6Å | ||
| 354 | E | 94.8 | Very high | 96.4 | Very high | 97 Ų | 97 | 40.9 Ų | 40.9 | 45% | 0.453 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54.2 | -50 | -172 | -169.4 | -159.6 | 96.1 | 0 | 0 | 112.2 | I356 R357 I358 N392 L395 | E354-I356 PolarHBondContact O-N 3.37Å; E354-R357 PolarHBondContact O-N 2.79Å; E354-I358 HydrophobicContact CG-CD1 3.87Å; E354-I358 HydrophobicContact CG-CG1 4.46Å; E354-I358 WeakPolarHBondContact O-CG1 3.44Å; E354-I358 PolarHBondContact O-N 3.09Å; E354-N392 PolarHBondContact OE1-ND2 3.22Å; E354-N392 VanDerWaalsContact OE1-ND2 3.11Å; E354-N392 PolarHBondContact OE2-ND2 3.35Å; E354-L395 HydrophobicContact CG-CD2 4.1Å |
| 355 | H | 95 | Very high | 96.3 | Very high | 67 Ų | 67 | 44.9 Ų | 44.9 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.1 | -41.6 | -177.5 | 72.5 | -86.1 | 0 | 0 | 0 | 112.3 | E353 R357 I358 V359 | E353-H355 PolarHBondContact O-N 3.37Å; E353-H355 IonicContact OE2-CE1 2.76Å; E353-H355 PolarHBondContact OE2-CE1 3.34Å; E353-H355 IonicContact OE2-NE2 2.72Å; H355-R357 VanDerWaalsContact C-N 3.35Å; H355-R357 PolarHBondContact O-N 3.38Å; H355-I358 PolarHBondContact O-N 3.19Å; H355-V359 VanDerWaalsContact O-CG2 3.31Å; H355-V359 WeakPolarHBondContact O-CG2 3.27Å; H355-V359 PolarHBondContact O-N 2.58Å |
| 356 | I | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 175 | -55.5 | -176.9 | 0 | 0 | 0 | 109.8 | S298 F301 L348 V351 E353 E354 I358 V359 L360 | S298-I356 VanDerWaalsContact CB-CD1 3.46Å; F301-I356 HydrophobicContact CB-CG1 4.39Å; F301-I356 HydrophobicContact CD2-CG2 3.94Å; F301-I356 HydrophobicContact CE2-CG2 4.46Å; L348-I356 HydrophobicContact CB-CG2 4.23Å; L348-I356 HydrophobicContact CD2-CG2 4.21Å; V351-I356 HydrophobicContact CB-CD1 4.09Å; V351-I356 HydrophobicContact CG1-CD1 3.7Å; E353-I356 HydrophobicContact CB-CB 4.36Å; E353-I356 HydrophobicContact CB-CD1 3.9Å; E353-I356 HydrophobicContact CB-CG1 3.95Å; E353-I356 HydrophobicContact CG-CD1 4.44Å; E353-I356 PolarHBondContact O-N 2.93Å; E353-I356 WeakPolarHBondContact OE2-CD1 3.48Å; E354-I356 PolarHBondContact O-N 3.37Å; I356-I358 PolarHBondContact O-N 3.17Å; I356-V359 PolarHBondContact O-N 3.28Å; I356-L360 HydrophobicContact CG2-CD1 3.89Å; I356-L360 HydrophobicContact CG2-CG 4.24Å; I356-L360 WeakPolarHBondContact O-CB 3.36Å; I356-L360 VanDerWaalsContact O-CG 3.28Å; I356-L360 WeakPolarHBondContact O-CG 3.32Å; I356-L360 PolarHBondContact O-N 3.27Å |
| 357 | R | 97.1 | Very high | 96.1 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 5% | 0.045 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | -180 | -166.2 | 64.9 | 59.8 | 77.2 | -1.6 | 111.2 | Y349 V351 N352 E353 E354 H355 L360 L361 Q383 L395 | Y349-R357 PolarHBondContact O-NH2 2.89Å; V351-R357 PolarHBondContact O-NH2 3.35Å; N352-R357 PolarHBondContact OD1-NH2 3.15Å; E353-R357 PolarHBondContact O-N 2.6Å; E354-R357 PolarHBondContact O-N 2.79Å; H355-R357 VanDerWaalsContact C-N 3.35Å; H355-R357 PolarHBondContact O-N 3.38Å; R357-L360 PolarHBondContact O-N 2.97Å; R357-L361 HydrophobicContact CG-CD1 3.97Å; R357-L361 HydrophobicContact CG-CG 4.42Å; R357-L361 WeakPolarHBondContact O-CB 3.41Å; R357-L361 WeakPolarHBondContact O-CG 3.15Å; R357-L361 PolarHBondContact O-N 2.93Å; R357-Q383 PolarHBondContact NH1-O 3.49Å; R357-L395 HydrophobicContact CB-CD1 4.19Å; R357-L395 HydrophobicContact CG-CD1 3.72Å |
| 358 | I | 96.2 | Very high | 96 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 175.1 | -71 | 172.8 | 0 | 0 | 0 | 111.3 | E354 H355 I356 L361 T362 L395 | E354-I358 HydrophobicContact CG-CD1 3.87Å; E354-I358 HydrophobicContact CG-CG1 4.46Å; E354-I358 WeakPolarHBondContact O-CG1 3.44Å; E354-I358 PolarHBondContact O-N 3.09Å; H355-I358 PolarHBondContact O-N 3.19Å; I356-I358 PolarHBondContact O-N 3.17Å; I358-L361 PolarHBondContact O-N 3.33Å; I358-T362 WeakPolarHBondContact O-CB 3.38Å; I358-T362 PolarHBondContact O-N 3.17Å; I358-T362 PolarHBondContact O-OG1 2.79Å; I358-L395 HydrophobicContact CG1-CB 4.31Å; I358-L395 HydrophobicContact CG1-CD1 4.13Å |
| 359 | V | 97 | Very high | 95.9 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 178.6 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | F301 V307 L311 H355 I356 L361 T362 H363 | F301-V359 HydrophobicContact CD2-CB 3.76Å; F301-V359 HydrophobicContact CD2-CG1 3.44Å; F301-V359 VanDerWaalsContact CD2-CG1 3.44Å; F301-V359 HydrophobicContact CE2-CB 4.26Å; F301-V359 HydrophobicContact CE2-CG1 3.64Å; F301-V359 HydrophobicContact CG-CB 4.49Å; F301-V359 HydrophobicContact CG-CG1 4.05Å; F301-V359 HydrophobicContact CZ-CG1 4.39Å; V307-V359 HydrophobicContact CB-CG2 4.47Å; V307-V359 HydrophobicContact CG1-CG1 4.18Å; V307-V359 HydrophobicContact CG1-CG2 3.94Å; V307-V359 HydrophobicContact CG2-CG1 4.07Å; V307-V359 HydrophobicContact CG2-CG2 3.63Å; L311-V359 HydrophobicContact CD1-CG1 3.79Å; H355-V359 VanDerWaalsContact O-CG2 3.31Å; H355-V359 WeakPolarHBondContact O-CG2 3.27Å; H355-V359 PolarHBondContact O-N 2.58Å; I356-V359 PolarHBondContact O-N 3.28Å; V359-L361 PolarHBondContact O-N 3.09Å; V359-T362 PolarHBondContact O-N 2.85Å; V359-H363 PolarHBondContact O-CD2 3.49Å; V359-H363 VanDerWaalsContact O-CD2 3.25Å; V359-H363 PolarHBondContact O-N 2.95Å; V359-H363 VanDerWaalsContact O-N 3.17Å |
| 360 | L | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.4 | -50.3 | 175.9 | -74 | 171.2 | 0 | 0 | 0 | 111.3 | F301 L345 L348 Y349 I356 R357 H363 I364 Y367 | F301-L360 HydrophobicContact CE2-CD2 3.88Å; F301-L360 HydrophobicContact CE2-CG 4.06Å; L345-L360 HydrophobicContact CD2-CD2 3.63Å; L348-L360 HydrophobicContact CB-CD1 4.11Å; L348-L360 HydrophobicContact CB-CD2 4.31Å; Y349-L360 HydrophobicContact CD1-CD1 4.16Å; Y349-L360 HydrophobicContact CD2-CD1 3.85Å; Y349-L360 HydrophobicContact CD2-CD2 4.18Å; Y349-L360 HydrophobicContact CD2-CG 4.5Å; Y349-L360 HydrophobicContact CE1-CB 4.4Å; Y349-L360 HydrophobicContact CE1-CD1 4.32Å; Y349-L360 HydrophobicContact CE2-CB 4.12Å; Y349-L360 HydrophobicContact CE2-CD1 4.03Å; Y349-L360 HydrophobicContact CE2-CD2 3.94Å; Y349-L360 HydrophobicContact CE2-CG 4.27Å; Y349-L360 HydrophobicContact CG-CD1 3.92Å; I356-L360 HydrophobicContact CG2-CD1 3.89Å; I356-L360 HydrophobicContact CG2-CG 4.24Å; I356-L360 WeakPolarHBondContact O-CB 3.36Å; I356-L360 VanDerWaalsContact O-CG 3.28Å; I356-L360 WeakPolarHBondContact O-CG 3.32Å; I356-L360 PolarHBondContact O-N 3.27Å; R357-L360 PolarHBondContact O-N 2.97Å; L360-H363 PolarHBondContact O-N 3.43Å; L360-I364 PolarHBondContact O-N 3.27Å; L360-Y367 VanDerWaalsContact C-OH 3.3Å; L360-Y367 PolarHBondContact O-OH 3.43Å |
| 361 | L | 97.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -36.8 | -179.6 | -65.8 | 174.4 | 0 | 0 | 0 | 112.2 | R357 I358 V359 H363 I364 V384 L395 M398 S402 | R357-L361 HydrophobicContact CG-CD1 3.97Å; R357-L361 HydrophobicContact CG-CG 4.42Å; R357-L361 WeakPolarHBondContact O-CB 3.41Å; R357-L361 WeakPolarHBondContact O-CG 3.15Å; R357-L361 PolarHBondContact O-N 2.93Å; I358-L361 PolarHBondContact O-N 3.33Å; V359-L361 PolarHBondContact O-N 3.09Å; L361-H363 VanDerWaalsContact C-N 3.32Å; L361-H363 PolarHBondContact O-N 3.42Å; L361-I364 WeakPolarHBondContact O-CG2 3.29Å; L361-I364 PolarHBondContact O-N 3.08Å; L361-V384 HydrophobicContact CD2-CB 4.46Å; L361-V384 HydrophobicContact CD2-CG1 4.04Å; L361-V384 HydrophobicContact CD2-CG2 3.93Å; L361-L395 HydrophobicContact CD1-CD1 3.57Å; L361-M398 HydrophobicContact CB-CB 4.23Å; L361-M398 HydrophobicContact CD1-CB 4.36Å; L361-S402 WeakPolarHBondContact CB-OG 3.28Å; L361-S402 VanDerWaalsContact CD2-OG 3.27Å; L361-S402 WeakPolarHBondContact CD2-OG 3.38Å; L361-S402 PolarHBondContact O-OG 2.7Å |
| 362 | T | 95.8 | Very high | 95.9 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 32% | 0.319 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | I358 V359 H365 | I358-T362 WeakPolarHBondContact O-CB 3.38Å; I358-T362 PolarHBondContact O-N 3.17Å; I358-T362 PolarHBondContact O-OG1 2.79Å; V359-T362 PolarHBondContact O-N 2.85Å; T362-H365 PolarHBondContact O-CE1 2.72Å; T362-H365 PolarHBondContact O-ND1 3.41Å |
| 363 | H | 96.1 | Very high | 96 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 9% | 0.088 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -96.5 | 4.5 | -177.4 | -59.9 | -66.1 | 0 | 0 | 0 | 114.4 | V307 L315 V359 L360 L361 H365 I366 Y367 | V307-H363 PolarHBondContact O-NE2 3.28Å; L315-H363 HydrophobicContact CD1-CB 3.8Å; V359-H363 PolarHBondContact O-CD2 3.49Å; V359-H363 VanDerWaalsContact O-CD2 3.25Å; V359-H363 PolarHBondContact O-N 2.95Å; V359-H363 VanDerWaalsContact O-N 3.17Å; L360-H363 PolarHBondContact O-N 3.43Å; L361-H363 VanDerWaalsContact C-N 3.32Å; L361-H363 PolarHBondContact O-N 3.42Å; H363-H365 PolarHBondContact O-N 3.11Å; H363-H365 VanDerWaalsContact O-N 3.08Å; H363-I366 HydrophobicContact CB-CD1 4.1Å; H363-I366 HydrophobicContact CB-CG1 4.47Å; H363-I366 VanDerWaalsContact O-CB 3.28Å; H363-I366 WeakPolarHBondContact O-CB 3.24Å; H363-I366 WeakPolarHBondContact O-CG1 3.2Å; H363-I366 PolarHBondContact O-N 3.42Å; H363-Y367 HydrophobicContact CB-CD1 4.38Å; H363-Y367 HydrophobicContact CB-CE1 4.02Å; H363-Y367 WeakPolarHBondContact O-CD1 3.43Å; H363-Y367 VanDerWaalsContact O-CE1 3.24Å; H363-Y367 WeakPolarHBondContact O-CE1 3.42Å |
| 364 | I | 96.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.4 | -34.2 | -175.1 | -159.9 | 175.4 | 0 | 0 | 0 | 112.9 | Y349 L360 L361 I366 Y367 A368 V384 V405 L406 | Y349-I364 WeakPolarHBondContact OH-CD1 3.25Å; L360-I364 PolarHBondContact O-N 3.27Å; L361-I364 WeakPolarHBondContact O-CG2 3.29Å; L361-I364 PolarHBondContact O-N 3.08Å; I364-I366 PolarHBondContact O-N 2.67Å; I364-Y367 HydrophobicContact CG1-CE2 4.43Å; I364-Y367 PolarHBondContact O-N 2.93Å; I364-A368 HydrophobicContact CG1-CB 4.17Å; I364-A368 WeakPolarHBondContact O-CB 3.4Å; I364-A368 PolarHBondContact O-N 2.95Å; I364-V384 HydrophobicContact CD1-CG2 4.36Å; I364-V405 HydrophobicContact CG2-CB 4.21Å; I364-V405 HydrophobicContact CG2-CG1 4.25Å; I364-V405 HydrophobicContact CG2-CG2 4.18Å; I364-L406 HydrophobicContact CD1-CD2 4.25Å; I364-L406 HydrophobicContact CD1-CG 4.37Å |
| 365 | H | 95.1 | Very high | 96.2 | Very high | 120 Ų | 120 | 38.1 Ų | 38.1 | 56% | 0.556 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -64.9 | -15 | 176.7 | 70.9 | -90.1 | 0 | 0 | 0 | 114.4 | T362 H363 V405 | T362-H365 PolarHBondContact O-CE1 2.72Å; T362-H365 PolarHBondContact O-ND1 3.41Å; H363-H365 PolarHBondContact O-N 3.11Å; H363-H365 VanDerWaalsContact O-N 3.08Å; H365-V405 HydrophobicContact CB-CG1 4.29Å; H365-V405 HydrophobicContact CB-CG2 4.19Å |
| 366 | I | 94.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -86.4 | -42.3 | 177.8 | -53.5 | -176.6 | 0 | 0 | 0 | 110.9 | P312 R316 H363 I364 | P312-I366 HydrophobicContact CB-CD1 4.23Å; R316-I366 HydrophobicContact CB-CG2 3.59Å; R316-I366 HydrophobicContact CG-CG2 4.16Å; H363-I366 HydrophobicContact CB-CD1 4.1Å; H363-I366 HydrophobicContact CB-CG1 4.47Å; H363-I366 VanDerWaalsContact O-CB 3.28Å; H363-I366 WeakPolarHBondContact O-CB 3.24Å; H363-I366 WeakPolarHBondContact O-CG1 3.2Å; H363-I366 PolarHBondContact O-N 3.42Å; I364-I366 PolarHBondContact O-N 2.67Å |
| 367 | Y | 95.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -114.4 | -11.1 | -166.2 | 63 | -98.4 | 0 | 0 | 0 | 115.6 | L315 L345 Y349 L360 H363 I364 E369 F370 F371 | L315-Y367 HydrophobicContact CB-CD1 4.24Å; L315-Y367 HydrophobicContact CD1-CD1 4.24Å; L315-Y367 HydrophobicContact CD1-CE1 4.33Å; L315-Y367 HydrophobicContact CD2-CD1 4.45Å; L345-Y367 HydrophobicContact CD1-CD1 4.45Å; L345-Y367 HydrophobicContact CD1-CD2 3.62Å; L345-Y367 HydrophobicContact CD1-CE2 3.95Å; L345-Y367 HydrophobicContact CD1-CG 3.9Å; Y349-Y367 HydrophobicContact CE2-CE2 4.12Å; Y349-Y367 WeakPolarHBondContact CE2-OH 3.44Å; Y349-Y367 PolarHBondContact OH-OH 3.45Å; L360-Y367 VanDerWaalsContact C-OH 3.3Å; L360-Y367 PolarHBondContact O-OH 3.43Å; H363-Y367 HydrophobicContact CB-CD1 4.38Å; H363-Y367 HydrophobicContact CB-CE1 4.02Å; H363-Y367 WeakPolarHBondContact O-CD1 3.43Å; H363-Y367 VanDerWaalsContact O-CE1 3.24Å; H363-Y367 WeakPolarHBondContact O-CE1 3.42Å; I364-Y367 HydrophobicContact CG1-CE2 4.43Å; I364-Y367 PolarHBondContact O-N 2.93Å; Y367-E369 VanDerWaalsContact C-N 3.27Å; Y367-E369 PolarHBondContact O-N 3Å; Y367-F370 PolarHBondContact O-N 3.02Å; Y367-F370 VanDerWaalsContact O-N 3.09Å; Y367-F371 HydrophobicContact CD2-CD2 4.47Å; Y367-F371 AromaticContact CD2-CE2 3.53Å; Y367-F371 HydrophobicContact CD2-CE2 3.53Å; Y367-F371 AromaticContact CD2-CZ 3.96Å; Y367-F371 HydrophobicContact CD2-CZ 3.96Å; Y367-F371 AromaticContact CE2-CE2 3.61Å; Y367-F371 HydrophobicContact CE2-CE2 3.61Å; Y367-F371 AromaticContact CE2-CZ 3.9Å; Y367-F371 HydrophobicContact CE2-CZ 3.9Å |
| 368 | A | 96.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -61 | -28.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | I364 F370 V405 L406 L409 | I364-A368 HydrophobicContact CG1-CB 4.17Å; I364-A368 WeakPolarHBondContact O-CB 3.4Å; I364-A368 PolarHBondContact O-N 2.95Å; A368-F370 PolarHBondContact O-N 3.37Å; A368-V405 HydrophobicContact CB-CG1 4.47Å; A368-L406 HydrophobicContact CB-CD2 4.46Å; A368-L409 HydrophobicContact CB-CD1 3.66Å |
| 369 | E | 95.2 | Very high | 96.4 | Very high | 122 Ų | 122 | 44.6 Ų | 44.6 | 57% | 0.57 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -73.8 | -9.3 | 178.8 | 67.9 | 172.7 | -166.4 | 0 | 0 | 114.3 | Y367 L409 | Y367-E369 VanDerWaalsContact C-N 3.27Å; Y367-E369 PolarHBondContact O-N 3Å; E369-L409 HydrophobicContact CB-CD2 4.5Å |
| 370 | F | 94.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 44.1 Ų | 44.1 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -93.7 | -20.1 | -177.5 | -58.1 | -65.9 | 0 | 0 | 0 | 114.4 | P317 V334 H337 R338 I342 Y367 A368 | P317-F370 VanDerWaalsContact CD-CE2 3.43Å; P317-F370 HydrophobicContact CG-CD1 4.09Å; P317-F370 HydrophobicContact CG-CD2 3.88Å; P317-F370 HydrophobicContact CG-CE1 3.63Å; P317-F370 HydrophobicContact CG-CE2 3.4Å; P317-F370 VanDerWaalsContact CG-CE2 3.4Å; P317-F370 HydrophobicContact CG-CG 4.22Å; P317-F370 HydrophobicContact CG-CZ 3.28Å; V334-F370 HydrophobicContact CG1-CD1 4.07Å; V334-F370 HydrophobicContact CG1-CE1 4.21Å; H337-F370 AromaticContact CE1-CD2 3.83Å; R338-F370 HydrophobicContact CG-CB 4.42Å; R338-F370 PolarHBondContact NE-O 2.89Å; R338-F370 PolarHBondContact NH2-O 3.19Å; I342-F370 HydrophobicContact CD1-CB 4.01Å; I342-F370 HydrophobicContact CG1-CB 4.44Å; Y367-F370 PolarHBondContact O-N 3.02Å; Y367-F370 VanDerWaalsContact O-N 3.09Å; A368-F370 PolarHBondContact O-N 3.37Å |
| 371 | F | 96.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -63.4 | 155.5 | 165.5 | -64.8 | -71.4 | 0 | 0 | 0 | 111.2 | I342 L345 L346 Y367 E375 L376 I380 | I342-F371 HydrophobicContact CD1-CD1 3.91Å; I342-F371 HydrophobicContact CD1-CE1 3.93Å; I342-F371 HydrophobicContact CD1-CG 4.19Å; I342-F371 HydrophobicContact CD1-CZ 4.29Å; I342-F371 HydrophobicContact CG2-CD1 3.61Å; I342-F371 HydrophobicContact CG2-CE1 3.84Å; L345-F371 HydrophobicContact CB-CE1 4.44Å; L345-F371 HydrophobicContact CB-CZ 4.16Å; L345-F371 HydrophobicContact CD1-CZ 4.47Å; L346-F371 HydrophobicContact CD2-CD1 4.26Å; L346-F371 HydrophobicContact CD2-CE1 3.92Å; L346-F371 HydrophobicContact CG-CE1 4.1Å; Y367-F371 HydrophobicContact CD2-CD2 4.47Å; Y367-F371 AromaticContact CD2-CE2 3.53Å; Y367-F371 HydrophobicContact CD2-CE2 3.53Å; Y367-F371 AromaticContact CD2-CZ 3.96Å; Y367-F371 HydrophobicContact CD2-CZ 3.96Å; Y367-F371 AromaticContact CE2-CE2 3.61Å; Y367-F371 HydrophobicContact CE2-CE2 3.61Å; Y367-F371 AromaticContact CE2-CZ 3.9Å; Y367-F371 HydrophobicContact CE2-CZ 3.9Å; F371-E375 HydrophobicContact CB-CB 4.29Å; F371-E375 HydrophobicContact CD1-CB 4.28Å; F371-L376 HydrophobicContact CB-CD2 3.86Å; F371-L376 HydrophobicContact CB-CG 3.72Å; F371-L376 HydrophobicContact CD2-CD2 3.55Å; F371-L376 HydrophobicContact CD2-CG 4.38Å; F371-L376 HydrophobicContact CE2-CD2 4.39Å; F371-L376 HydrophobicContact CG-CD2 4.02Å; F371-L376 HydrophobicContact CG-CG 4.41Å; F371-I380 HydrophobicContact CD1-CD1 4.49Å; F371-I380 HydrophobicContact CD1-CG1 4.31Å; F371-I380 HydrophobicContact CD2-CG1 4.31Å; F371-I380 HydrophobicContact CE1-CD1 3.77Å; F371-I380 HydrophobicContact CE1-CG1 4.07Å; F371-I380 HydrophobicContact CE2-CD1 4.06Å; F371-I380 HydrophobicContact CE2-CG1 4.03Å; F371-I380 HydrophobicContact CG-CG1 4.45Å; F371-I380 HydrophobicContact CZ-CD1 3.53Å; F371-I380 HydrophobicContact CZ-CG1 3.93Å |
| 372 | S | 96.2 | Very high | 96.4 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | trans | -71 | 158.5 | 162.9 | 70.1 | 0 | 0 | 0 | 0 | 111.6 | D374 E375 L376 | S372-D374 PolarHBondContact O-N 3.24Å; S372-E375 WeakPolarHBondContact CA-OE2 3.32Å; S372-E375 WeakPolarHBondContact CB-OE2 3.44Å; S372-E375 PolarHBondContact N-OE2 3.49Å; S372-E375 PolarHBondContact O-N 2.72Å; S372-E375 VanDerWaalsContact OG-CD 3.3Å; S372-E375 WeakPolarHBondContact OG-CG 3.29Å; S372-E375 PolarHBondContact OG-N 3.25Å; S372-E375 PolarHBondContact OG-OE2 3.49Å; S372-L376 WeakPolarHBondContact O-CG 3.42Å; S372-L376 PolarHBondContact O-N 3.35Å | ||
| 373 | H | 96.4 | Very high | 96.4 | Very high | 106 Ų | 106 | 47 Ų | 47 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -26.6 | 174.4 | -175.1 | 94.9 | 0 | 0 | 0 | 112.5 | K377 L409 | H373-K377 WeakPolarHBondContact O-CB 3.31Å; H373-K377 PolarHBondContact O-N 3.14Å; H373-K377 VanDerWaalsContact O-N 3.1Å; H373-L409 PolarHBondContact ND1-O 3.17Å |
| 374 | D | 96.9 | Very high | 96.5 | Very high | 95 Ų | 95 | 46 Ų | 46 | 51% | 0.508 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -75.6 | -46.8 | 177.6 | -159.8 | 83.6 | 0 | 0 | 0 | 111.9 | S372 L376 K377 N378 | S372-D374 PolarHBondContact O-N 3.24Å; D374-L376 PolarHBondContact O-N 2.91Å; D374-K377 PolarHBondContact O-N 2.99Å; D374-N378 VanDerWaalsContact O-CB 3.32Å; D374-N378 WeakPolarHBondContact O-CB 3.48Å; D374-N378 PolarHBondContact O-N 3.38Å; D374-N378 PolarHBondContact OD1-ND2 3.31Å; D374-N378 PolarHBondContact OD2-ND2 2.87Å |
| 375 | E | 97.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 49 Ų | 49 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 172.4 | -71 | 157.4 | 132.5 | 0 | 0 | 111.5 | L346 F371 S372 K377 Q379 I380 | L346-E375 HydrophobicContact CD1-CG 4.33Å; L346-E375 HydrophobicContact CD2-CB 4.32Å; L346-E375 HydrophobicContact CD2-CG 4.45Å; F371-E375 HydrophobicContact CB-CB 4.29Å; F371-E375 HydrophobicContact CD1-CB 4.28Å; S372-E375 WeakPolarHBondContact CA-OE2 3.32Å; S372-E375 WeakPolarHBondContact CB-OE2 3.44Å; S372-E375 PolarHBondContact N-OE2 3.49Å; S372-E375 PolarHBondContact O-N 2.72Å; S372-E375 VanDerWaalsContact OG-CD 3.3Å; S372-E375 WeakPolarHBondContact OG-CG 3.29Å; S372-E375 PolarHBondContact OG-N 3.25Å; S372-E375 PolarHBondContact OG-OE2 3.49Å; E375-K377 VanDerWaalsContact C-N 3.34Å; E375-K377 PolarHBondContact O-N 2.69Å; E375-Q379 WeakPolarHBondContact O-CA 3.49Å; E375-Q379 WeakPolarHBondContact O-CB 3.28Å; E375-Q379 PolarHBondContact O-N 3.25Å; E375-I380 PolarHBondContact O-N 2.88Å |
| 376 | L | 97.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -57.4 | -46.4 | 175.6 | -76.5 | -180 | 0 | 0 | 0 | 112.1 | F371 S372 D374 I380 L381 L406 L409 L410 | F371-L376 HydrophobicContact CB-CD2 3.86Å; F371-L376 HydrophobicContact CB-CG 3.72Å; F371-L376 HydrophobicContact CD2-CD2 3.55Å; F371-L376 HydrophobicContact CD2-CG 4.38Å; F371-L376 HydrophobicContact CE2-CD2 4.39Å; F371-L376 HydrophobicContact CG-CD2 4.02Å; F371-L376 HydrophobicContact CG-CG 4.41Å; S372-L376 WeakPolarHBondContact O-CG 3.42Å; S372-L376 PolarHBondContact O-N 3.35Å; D374-L376 PolarHBondContact O-N 2.91Å; L376-I380 HydrophobicContact CD2-CB 4.45Å; L376-I380 HydrophobicContact CD2-CG1 4.43Å; L376-L381 WeakPolarHBondContact O-CB 3.33Å; L376-L381 PolarHBondContact O-N 2.89Å; L376-L406 HydrophobicContact CD2-CD2 3.96Å; L376-L409 HydrophobicContact CD1-CB 3.89Å; L376-L409 HydrophobicContact CD1-CD1 4.04Å; L376-L410 HydrophobicContact CB-CD1 4.13Å; L376-L410 HydrophobicContact CB-CD2 3.66Å; L376-L410 HydrophobicContact CB-CG 4.04Å; L376-L410 HydrophobicContact CD1-CD2 4.48Å |
| 377 | K | 96.9 | Very high | 96.5 | Very high | 94 Ų | 94 | 47.1 Ų | 47.1 | 41% | 0.409 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -76.5 | -45.2 | -174 | -179 | -172 | 165.5 | -124.6 | 0 | 112.9 | H373 D374 E375 P382 L410 V414 | H373-K377 WeakPolarHBondContact O-CB 3.31Å; H373-K377 PolarHBondContact O-N 3.14Å; H373-K377 VanDerWaalsContact O-N 3.1Å; D374-K377 PolarHBondContact O-N 2.99Å; E375-K377 VanDerWaalsContact C-N 3.34Å; E375-K377 PolarHBondContact O-N 2.69Å; K377-P382 WeakPolarHBondContact O-CD 3.37Å; K377-L410 HydrophobicContact CB-CD2 3.87Å; K377-V414 HydrophobicContact CD-CG1 4.49Å; K377-V414 HydrophobicContact CG-CG1 3.95Å |
| 378 | N | 97.2 | Very high | 96.5 | Very high | 72 Ų | 72 | 51.2 Ų | 51.2 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -101.4 | -18.1 | -166 | -56.9 | -24.5 | 0 | 0 | 0 | 112.8 | D374 | D374-N378 VanDerWaalsContact O-CB 3.32Å; D374-N378 WeakPolarHBondContact O-CB 3.48Å; D374-N378 PolarHBondContact O-N 3.38Å; D374-N378 PolarHBondContact OD1-ND2 3.31Å; D374-N378 PolarHBondContact OD2-ND2 2.87Å |
| 379 | Q | 97.1 | Very high | 96.3 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -119.3 | -51.9 | -178.7 | -57.8 | -176.6 | 58.7 | 0 | 0 | 112.6 | L346 E375 Q383 | L346-Q379 HydrophobicContact CD2-CB 4.13Å; E375-Q379 WeakPolarHBondContact O-CA 3.49Å; E375-Q379 WeakPolarHBondContact O-CB 3.28Å; E375-Q379 PolarHBondContact O-N 3.25Å; Q379-Q383 WeakPolarHBondContact O-CG 3.25Å |
| 380 | I | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -74.5 | -55.1 | -176.5 | -57.7 | -62.8 | 0 | 0 | 0 | 111.8 | L346 Y349 F371 E375 L376 Q383 V384 | L346-I380 HydrophobicContact CD2-CD1 3.86Å; L346-I380 HydrophobicContact CD2-CG1 4.34Å; Y349-I380 HydrophobicContact CD1-CD1 4.5Å; Y349-I380 HydrophobicContact CD2-CD1 3.48Å; Y349-I380 VanDerWaalsContact CD2-CD1 3.48Å; Y349-I380 HydrophobicContact CE1-CG2 4.23Å; Y349-I380 HydrophobicContact CE2-CD1 3.85Å; Y349-I380 HydrophobicContact CE2-CG2 4.41Å; Y349-I380 HydrophobicContact CG-CD1 3.84Å; F371-I380 HydrophobicContact CD1-CD1 4.49Å; F371-I380 HydrophobicContact CD1-CG1 4.31Å; F371-I380 HydrophobicContact CD2-CG1 4.31Å; F371-I380 HydrophobicContact CE1-CD1 3.77Å; F371-I380 HydrophobicContact CE1-CG1 4.07Å; F371-I380 HydrophobicContact CE2-CD1 4.06Å; F371-I380 HydrophobicContact CE2-CG1 4.03Å; F371-I380 HydrophobicContact CG-CG1 4.45Å; F371-I380 HydrophobicContact CZ-CD1 3.53Å; F371-I380 HydrophobicContact CZ-CG1 3.93Å; E375-I380 PolarHBondContact O-N 2.88Å; L376-I380 HydrophobicContact CD2-CB 4.45Å; L376-I380 HydrophobicContact CD2-CG1 4.43Å; I380-Q383 PolarHBondContact O-N 2.91Å; I380-V384 HydrophobicContact CG2-CG2 3.92Å; I380-V384 WeakPolarHBondContact O-CG2 3.17Å; I380-V384 PolarHBondContact O-N 2.97Å |
| 381 | L | 97.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.5 | -44 | -175.8 | 175.9 | 65.4 | 0 | 0 | 0 | 113.2 | L376 Q383 V384 L385 L403 L406 L410 V414 V415 | L376-L381 WeakPolarHBondContact O-CB 3.33Å; L376-L381 PolarHBondContact O-N 2.89Å; L381-Q383 VanDerWaalsContact C-N 3.34Å; L381-Q383 PolarHBondContact O-N 2.72Å; L381-V384 PolarHBondContact O-N 2.85Å; L381-L385 HydrophobicContact CD1-CD1 3.98Å; L381-L385 HydrophobicContact CD1-CD2 4.38Å; L381-L385 HydrophobicContact CD1-CG 3.92Å; L381-L385 HydrophobicContact CG-CD1 3.89Å; L381-L385 HydrophobicContact CG-CG 4.3Å; L381-L385 WeakPolarHBondContact O-CB 3.4Å; L381-L385 VanDerWaalsContact O-CG 3.28Å; L381-L385 WeakPolarHBondContact O-CG 3.26Å; L381-L385 PolarHBondContact O-N 3.04Å; L381-L403 HydrophobicContact CD1-CD2 3.59Å; L381-L406 HydrophobicContact CB-CD1 4.47Å; L381-L406 HydrophobicContact CD1-CD1 4Å; L381-L410 HydrophobicContact CB-CD1 4.07Å; L381-L410 HydrophobicContact CD2-CD1 3.87Å; L381-L410 HydrophobicContact CG-CD1 4.47Å; L381-V414 HydrophobicContact CD2-CG1 3.98Å; L381-V415 HydrophobicContact CD1-CG1 4.09Å |
| 382 | P | 96.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 66.5 Ų | 66.5 | 39% | 0.39 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 175.1 | -26.1 | 36.7 | 0 | 0 | 0 | 113.4 | K377 L385 L386 | K377-P382 WeakPolarHBondContact O-CD 3.37Å; P382-L385 PolarHBondContact O-N 3.43Å; P382-L386 PolarHBondContact O-N 3.31Å |
| 383 | Q | 97.1 | Very high | 96.5 | Very high | 47 Ų | 47 | 70.6 Ų | 70.6 | 22% | 0.22 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.9 | -35.3 | 178 | -64.4 | -64 | -17.3 | 0 | 0 | 112.4 | Y349 R357 Q379 I380 L381 L386 | Y349-Q383 HydrophobicContact CD1-CB 3.92Å; Y349-Q383 PolarHBondContact O-OE1 2.76Å; R357-Q383 PolarHBondContact NH1-O 3.49Å; Q379-Q383 WeakPolarHBondContact O-CG 3.25Å; I380-Q383 PolarHBondContact O-N 2.91Å; L381-Q383 VanDerWaalsContact C-N 3.34Å; L381-Q383 PolarHBondContact O-N 2.72Å; Q383-L386 VanDerWaalsContact OE1-CD1 3.29Å |
| 384 | V | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 172.1 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | Y349 L361 I364 I380 L381 L386 G387 T399 L403 L406 | Y349-V384 HydrophobicContact CE1-CG2 3.8Å; L361-V384 HydrophobicContact CD2-CB 4.46Å; L361-V384 HydrophobicContact CD2-CG1 4.04Å; L361-V384 HydrophobicContact CD2-CG2 3.93Å; I364-V384 HydrophobicContact CD1-CG2 4.36Å; I380-V384 HydrophobicContact CG2-CG2 3.92Å; I380-V384 WeakPolarHBondContact O-CG2 3.17Å; I380-V384 PolarHBondContact O-N 2.97Å; L381-V384 PolarHBondContact O-N 2.85Å; V384-L386 PolarHBondContact O-N 3.45Å; V384-L386 VanDerWaalsContact O-N 3.15Å; V384-G387 PolarHBondContact O-N 2.72Å; V384-T399 HydrophobicContact CG1-CG2 4.01Å; V384-T399 WeakPolarHBondContact O-CG2 3.33Å; V384-L403 HydrophobicContact CG1-CD2 3.86Å; V384-L403 HydrophobicContact CG1-CG 4.1Å; V384-L406 HydrophobicContact CG2-CD1 4.34Å |
| 385 | L | 96.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 64.3 Ų | 64.3 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.3 | -24.6 | -176.3 | -73.2 | 169.6 | 0 | 0 | 0 | 114.2 | L381 P382 G387 M388 L403 | L381-L385 HydrophobicContact CD1-CD1 3.98Å; L381-L385 HydrophobicContact CD1-CD2 4.38Å; L381-L385 HydrophobicContact CD1-CG 3.92Å; L381-L385 HydrophobicContact CG-CD1 3.89Å; L381-L385 HydrophobicContact CG-CG 4.3Å; L381-L385 WeakPolarHBondContact O-CB 3.4Å; L381-L385 VanDerWaalsContact O-CG 3.28Å; L381-L385 WeakPolarHBondContact O-CG 3.26Å; L381-L385 PolarHBondContact O-N 3.04Å; P382-L385 PolarHBondContact O-N 3.43Å; L385-G387 PolarHBondContact O-N 3.34Å; L385-M388 HydrophobicContact CD2-SD 3.56Å; L385-M388 VanDerWaalsContact CD2-SD 3.56Å; L385-M388 WeakPolarHBondContact O-CB 3.36Å; L385-M388 PolarHBondContact O-N 2.88Å; L385-M388 VanDerWaalsContact O-N 3.13Å; L385-L403 HydrophobicContact CD2-CD1 4.1Å; L385-L403 HydrophobicContact CD2-CD2 3.78Å; L385-L403 HydrophobicContact CG-CD2 4.34Å |
| 386 | L | 95.6 | Very high | 96.5 | Very high | 93 Ų | 93 | 63.7 Ų | 63.7 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.4 | -40.1 | 172.8 | -62.6 | 179 | 0 | 0 | 0 | 112 | P382 Q383 V384 M388 R389 | P382-L386 PolarHBondContact O-N 3.31Å; Q383-L386 VanDerWaalsContact OE1-CD1 3.29Å; V384-L386 PolarHBondContact O-N 3.45Å; V384-L386 VanDerWaalsContact O-N 3.15Å; L386-M388 PolarHBondContact O-N 2.93Å; L386-M388 VanDerWaalsContact O-N 3.13Å; L386-R389 PolarHBondContact O-N 3.11Å |
| 387 | G | 95.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -67.4 | -9.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V384 L385 R389 V396 T399 | V384-G387 PolarHBondContact O-N 2.72Å; L385-G387 PolarHBondContact O-N 3.34Å; G387-R389 PolarHBondContact O-N 2.97Å; G387-V396 WeakPolarHBondContact O-CA 3.42Å; G387-V396 WeakPolarHBondContact O-CG2 3.11Å; G387-T399 WeakPolarHBondContact CA-OG1 3.49Å |
| 388 | M | 94.6 | Very high | 96.4 | Very high | 86 Ų | 86 | 62.5 Ų | 62.5 | 42% | 0.424 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -73.1 | -14.8 | 173.7 | -67.1 | -172.4 | 65.9 | 0 | 0 | 113.6 | L385 L386 T399 L400 L403 | L385-M388 HydrophobicContact CD2-SD 3.56Å; L385-M388 VanDerWaalsContact CD2-SD 3.56Å; L385-M388 WeakPolarHBondContact O-CB 3.36Å; L385-M388 PolarHBondContact O-N 2.88Å; L385-M388 VanDerWaalsContact O-N 3.13Å; L386-M388 PolarHBondContact O-N 2.93Å; L386-M388 VanDerWaalsContact O-N 3.13Å; M388-T399 HydrophobicContact CG-CG2 3.68Å; M388-L400 HydrophobicContact CE-CD2 4.12Å; M388-L403 HydrophobicContact CG-CD1 4.06Å; M388-L403 HydrophobicContact SD-CD1 3.59Å; M388-L403 VanDerWaalsContact SD-CD1 3.59Å |
| 389 | R | 92.9 | Very high | 96.4 | Very high | 235 Ų | 235 | 59 Ų | 59 | 89% | 0.887 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -121 | 15.2 | -177.7 | -62.3 | -174 | 64.5 | -178.5 | -1.5 | 112.6 | L386 G387 | L386-R389 PolarHBondContact O-N 3.11Å; G387-R389 PolarHBondContact O-N 2.97Å |
| 390 | D | 96.8 | Very high | 96.4 | Very high | 66 Ų | 66 | 59.7 Ų | 59.7 | 35% | 0.353 | 32% | 0.317 | S | S | . | . | trans | -73.1 | 161.1 | 177.8 | -156.6 | -80 | 0 | 0 | 0 | 111.6 | N392 L395 V396 | D390-N392 PolarHBondContact OD1-N 3.4Å; D390-L395 HydrophobicContact CB-CD2 4.14Å; D390-L395 HydrophobicContact CB-CG 4.38Å; D390-V396 HydrophobicContact CB-CG2 4.29Å | ||
| 391 | T | 96.2 | Very high | 96.4 | Very high | 141 Ų | 141 | 65.1 Ų | 65.1 | 87% | 0.865 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -80.8 | -16.3 | 173.6 | 43.9 | 0 | 0 | 0 | 0 | 114 | ||
| 392 | N | 96.3 | Very high | 96.4 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 22% | 0.219 | 34% | 0.341 | C | S | . | . | trans | -94.9 | 108.2 | -178.4 | -174.2 | -33.8 | 0 | 0 | 0 | 111.5 | E354 D390 S394 L395 V396 | E354-N392 PolarHBondContact OE1-ND2 3.22Å; E354-N392 VanDerWaalsContact OE1-ND2 3.11Å; E354-N392 PolarHBondContact OE2-ND2 3.35Å; D390-N392 PolarHBondContact OD1-N 3.4Å; N392-S394 PolarHBondContact O-N 2.88Å; N392-S394 VanDerWaalsContact O-N 3.1Å; N392-S394 WeakPolarHBondContact OD1-CA 3.3Å; N392-S394 WeakPolarHBondContact OD1-CB 3.09Å; N392-S394 PolarHBondContact OD1-N 3.37Å; N392-L395 HydrophobicContact CB-CB 4.14Å; N392-L395 WeakPolarHBondContact O-CB 3.12Å; N392-L395 PolarHBondContact O-N 3.13Å; N392-L395 PolarHBondContact OD1-N 2.93Å; N392-V396 WeakPolarHBondContact O-CG2 3.21Å; N392-V396 PolarHBondContact O-N 3.01Å | ||
| 393 | D | 96.6 | Very high | 96.4 | Very high | 139 Ų | 139 | 62.9 Ų | 62.9 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -52.4 | -32.8 | 179 | -72.4 | -28.8 | 0 | 0 | 0 | 113.8 | A397 | D393-A397 VanDerWaalsContact O-CB 3.28Å; D393-A397 WeakPolarHBondContact O-CB 3.44Å; D393-A397 PolarHBondContact O-N 3.27Å |
| 394 | S | 95.8 | Very high | 96.4 | Very high | 64 Ų | 64 | 63.8 Ų | 63.8 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 176.9 | -168.5 | 0 | 0 | 0 | 0 | 111.2 | N392 A397 M398 | N392-S394 PolarHBondContact O-N 2.88Å; N392-S394 VanDerWaalsContact O-N 3.1Å; N392-S394 WeakPolarHBondContact OD1-CA 3.3Å; N392-S394 WeakPolarHBondContact OD1-CB 3.09Å; N392-S394 PolarHBondContact OD1-N 3.37Å; S394-A397 PolarHBondContact O-N 3.32Å; S394-M398 WeakPolarHBondContact O-CB 3.16Å; S394-M398 VanDerWaalsContact O-CG 3.32Å; S394-M398 WeakPolarHBondContact O-CG 2.83Å; S394-M398 PolarHBondContact O-N 2.9Å |
| 395 | L | 97 | Very high | 96.4 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 175.9 | 177.3 | 53.2 | 0 | 0 | 0 | 111.5 | E354 R357 I358 L361 D390 N392 M398 T399 | E354-L395 HydrophobicContact CG-CD2 4.1Å; R357-L395 HydrophobicContact CB-CD1 4.19Å; R357-L395 HydrophobicContact CG-CD1 3.72Å; I358-L395 HydrophobicContact CG1-CB 4.31Å; I358-L395 HydrophobicContact CG1-CD1 4.13Å; L361-L395 HydrophobicContact CD1-CD1 3.57Å; D390-L395 HydrophobicContact CB-CD2 4.14Å; D390-L395 HydrophobicContact CB-CG 4.38Å; N392-L395 HydrophobicContact CB-CB 4.14Å; N392-L395 WeakPolarHBondContact O-CB 3.12Å; N392-L395 PolarHBondContact O-N 3.13Å; N392-L395 PolarHBondContact OD1-N 2.93Å; L395-M398 PolarHBondContact O-N 3.29Å; L395-T399 VanDerWaalsContact O-CB 3.29Å; L395-T399 WeakPolarHBondContact O-CB 3.41Å; L395-T399 PolarHBondContact O-N 3.36Å; L395-T399 PolarHBondContact O-OG1 3.13Å |
| 396 | V | 97.7 | Very high | 96.5 | Very high | 32 Ų | 32 | 62.9 Ų | 62.9 | 19% | 0.194 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 172.6 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | G387 D390 N392 T399 L400 | G387-V396 WeakPolarHBondContact O-CA 3.42Å; G387-V396 WeakPolarHBondContact O-CG2 3.11Å; D390-V396 HydrophobicContact CB-CG2 4.29Å; N392-V396 WeakPolarHBondContact O-CG2 3.21Å; N392-V396 PolarHBondContact O-N 3.01Å; V396-T399 WeakPolarHBondContact O-CB 3.39Å; V396-T399 PolarHBondContact O-N 3.47Å; V396-L400 HydrophobicContact CG1-CD1 4.25Å; V396-L400 WeakPolarHBondContact O-CG 3.21Å; V396-L400 PolarHBondContact O-N 2.94Å |
| 397 | A | 97 | Very high | 96.5 | Very high | 42 Ų | 42 | 60.8 Ų | 60.8 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D393 S394 T399 L400 Q401 | D393-A397 VanDerWaalsContact O-CB 3.28Å; D393-A397 WeakPolarHBondContact O-CB 3.44Å; D393-A397 PolarHBondContact O-N 3.27Å; S394-A397 PolarHBondContact O-N 3.32Å; A397-T399 VanDerWaalsContact C-N 3.31Å; A397-T399 PolarHBondContact O-N 2.9Å; A397-L400 PolarHBondContact O-N 2.92Å; A397-Q401 WeakPolarHBondContact O-CG 3.2Å; A397-Q401 PolarHBondContact O-N 3.48Å; A397-Q401 PolarHBondContact O-NE2 3Å |
| 398 | M | 96.3 | Very high | 96.5 | Very high | 34 Ų | 34 | 65.8 Ų | 65.8 | 17% | 0.167 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.7 | -32.8 | 175.7 | -70.6 | -52.2 | -57 | 0 | 0 | 112.4 | L361 S394 L395 S402 | L361-M398 HydrophobicContact CB-CB 4.23Å; L361-M398 HydrophobicContact CD1-CB 4.36Å; S394-M398 WeakPolarHBondContact O-CB 3.16Å; S394-M398 VanDerWaalsContact O-CG 3.32Å; S394-M398 WeakPolarHBondContact O-CG 2.83Å; S394-M398 PolarHBondContact O-N 2.9Å; L395-M398 PolarHBondContact O-N 3.29Å; M398-S402 WeakPolarHBondContact O-CB 3.48Å; M398-S402 PolarHBondContact O-N 3.42Å; M398-S402 PolarHBondContact O-OG 3.06Å |
| 399 | T | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 173.2 | -62.5 | 0 | 0 | 0 | 0 | 111 | V384 G387 M388 L395 V396 A397 Q401 S402 L403 | V384-T399 HydrophobicContact CG1-CG2 4.01Å; V384-T399 WeakPolarHBondContact O-CG2 3.33Å; G387-T399 WeakPolarHBondContact CA-OG1 3.49Å; M388-T399 HydrophobicContact CG-CG2 3.68Å; L395-T399 VanDerWaalsContact O-CB 3.29Å; L395-T399 WeakPolarHBondContact O-CB 3.41Å; L395-T399 PolarHBondContact O-N 3.36Å; L395-T399 PolarHBondContact O-OG1 3.13Å; V396-T399 WeakPolarHBondContact O-CB 3.39Å; V396-T399 PolarHBondContact O-N 3.47Å; A397-T399 VanDerWaalsContact C-N 3.31Å; A397-T399 PolarHBondContact O-N 2.9Å; T399-Q401 VanDerWaalsContact C-N 3.34Å; T399-Q401 PolarHBondContact O-N 2.76Å; T399-S402 WeakPolarHBondContact O-CB 3.14Å; T399-S402 PolarHBondContact O-N 3.42Å; T399-S402 VanDerWaalsContact O-N 3.11Å; T399-L403 HydrophobicContact CG2-CD1 4.27Å; T399-L403 WeakPolarHBondContact O-CG 3.4Å; T399-L403 PolarHBondContact O-N 2.98Å |
| 400 | L | 96.8 | Very high | 96.8 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 49% | 0.492 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 178.2 | -68.4 | 170.6 | 0 | 0 | 0 | 112.5 | M388 V396 A397 A404 | M388-L400 HydrophobicContact CE-CD2 4.12Å; V396-L400 HydrophobicContact CG1-CD1 4.25Å; V396-L400 WeakPolarHBondContact O-CG 3.21Å; V396-L400 PolarHBondContact O-N 2.94Å; A397-L400 PolarHBondContact O-N 2.92Å; L400-A404 PolarHBondContact O-N 3.3Å |
| 401 | Q | 97.1 | Very high | 96.7 | Very high | 115 Ų | 115 | 52.2 Ų | 52.2 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 172.1 | -70.3 | 173.5 | 54.6 | 0 | 0 | 112 | A397 T399 L403 A404 V405 | A397-Q401 WeakPolarHBondContact O-CG 3.2Å; A397-Q401 PolarHBondContact O-N 3.48Å; A397-Q401 PolarHBondContact O-NE2 3Å; T399-Q401 VanDerWaalsContact C-N 3.34Å; T399-Q401 PolarHBondContact O-N 2.76Å; Q401-L403 PolarHBondContact O-N 3.03Å; Q401-A404 WeakPolarHBondContact O-CB 3.35Å; Q401-A404 PolarHBondContact O-N 3.07Å; Q401-A404 VanDerWaalsContact O-N 3.13Å; Q401-V405 PolarHBondContact O-N 3.17Å |
| 402 | S | 97.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 179.7 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | L361 M398 T399 A404 V405 L406 | L361-S402 WeakPolarHBondContact CB-OG 3.28Å; L361-S402 VanDerWaalsContact CD2-OG 3.27Å; L361-S402 WeakPolarHBondContact CD2-OG 3.38Å; L361-S402 PolarHBondContact O-OG 2.7Å; M398-S402 WeakPolarHBondContact O-CB 3.48Å; M398-S402 PolarHBondContact O-N 3.42Å; M398-S402 PolarHBondContact O-OG 3.06Å; T399-S402 WeakPolarHBondContact O-CB 3.14Å; T399-S402 PolarHBondContact O-N 3.42Å; T399-S402 VanDerWaalsContact O-N 3.11Å; S402-A404 VanDerWaalsContact C-N 3.26Å; S402-A404 PolarHBondContact O-N 2.75Å; S402-V405 WeakPolarHBondContact O-CB 3.37Å; S402-V405 PolarHBondContact O-N 3.07Å; S402-V405 VanDerWaalsContact O-N 3.07Å; S402-L406 PolarHBondContact O-N 2.99Å |
| 403 | L | 97.6 | Very high | 96.2 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 173.1 | -67.2 | 168.1 | 0 | 0 | 0 | 111.4 | L381 V384 L385 M388 T399 Q401 V405 L406 V407 V415 | L381-L403 HydrophobicContact CD1-CD2 3.59Å; V384-L403 HydrophobicContact CG1-CD2 3.86Å; V384-L403 HydrophobicContact CG1-CG 4.1Å; L385-L403 HydrophobicContact CD2-CD1 4.1Å; L385-L403 HydrophobicContact CD2-CD2 3.78Å; L385-L403 HydrophobicContact CG-CD2 4.34Å; M388-L403 HydrophobicContact CG-CD1 4.06Å; M388-L403 HydrophobicContact SD-CD1 3.59Å; M388-L403 VanDerWaalsContact SD-CD1 3.59Å; T399-L403 HydrophobicContact CG2-CD1 4.27Å; T399-L403 WeakPolarHBondContact O-CG 3.4Å; T399-L403 PolarHBondContact O-N 2.98Å; Q401-L403 PolarHBondContact O-N 3.03Å; L403-V405 VanDerWaalsContact C-N 3.3Å; L403-V405 PolarHBondContact O-N 3.37Å; L403-L406 PolarHBondContact O-N 3.41Å; L403-L406 VanDerWaalsContact O-N 3.17Å; L403-V407 WeakPolarHBondContact O-CG2 3.46Å; L403-V407 PolarHBondContact O-N 2.85Å; L403-V415 HydrophobicContact CB-CG1 3.94Å; L403-V415 HydrophobicContact CD2-CG1 3.63Å; L403-V415 HydrophobicContact CG-CG1 4.38Å |
| 404 | A | 96.6 | Very high | 96.1 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 54% | 0.537 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.1 | -31.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | L400 Q401 S402 P408 | L400-A404 PolarHBondContact O-N 3.3Å; Q401-A404 WeakPolarHBondContact O-CB 3.35Å; Q401-A404 PolarHBondContact O-N 3.07Å; Q401-A404 VanDerWaalsContact O-N 3.13Å; S402-A404 VanDerWaalsContact C-N 3.26Å; S402-A404 PolarHBondContact O-N 2.75Å; A404-P408 WeakPolarHBondContact O-CD 3.35Å |
| 405 | V | 97.1 | Very high | 96 | Very high | 46 Ų | 46 | 42.5 Ų | 42.5 | 28% | 0.279 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.4 | -34.6 | 171.8 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | I364 H365 A368 Q401 S402 L403 P408 | I364-V405 HydrophobicContact CG2-CB 4.21Å; I364-V405 HydrophobicContact CG2-CG1 4.25Å; I364-V405 HydrophobicContact CG2-CG2 4.18Å; H365-V405 HydrophobicContact CB-CG1 4.29Å; H365-V405 HydrophobicContact CB-CG2 4.19Å; A368-V405 HydrophobicContact CB-CG1 4.47Å; Q401-V405 PolarHBondContact O-N 3.17Å; S402-V405 WeakPolarHBondContact O-CB 3.37Å; S402-V405 PolarHBondContact O-N 3.07Å; S402-V405 VanDerWaalsContact O-N 3.07Å; L403-V405 VanDerWaalsContact C-N 3.3Å; L403-V405 PolarHBondContact O-N 3.37Å; V405-P408 WeakPolarHBondContact O-CD 3.4Å |
| 406 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -76.7 | -25.3 | 178.1 | -64.4 | -178.1 | 0 | 0 | 0 | 113.5 | I364 A368 L376 L381 V384 S402 L403 L409 L410 V415 | I364-L406 HydrophobicContact CD1-CD2 4.25Å; I364-L406 HydrophobicContact CD1-CG 4.37Å; A368-L406 HydrophobicContact CB-CD2 4.46Å; L376-L406 HydrophobicContact CD2-CD2 3.96Å; L381-L406 HydrophobicContact CB-CD1 4.47Å; L381-L406 HydrophobicContact CD1-CD1 4Å; V384-L406 HydrophobicContact CG2-CD1 4.34Å; S402-L406 PolarHBondContact O-N 2.99Å; L403-L406 PolarHBondContact O-N 3.41Å; L403-L406 VanDerWaalsContact O-N 3.17Å; L406-L409 PolarHBondContact O-N 3.19Å; L406-L410 PolarHBondContact O-N 3.4Å; L406-V415 HydrophobicContact CB-CG1 4.3Å; L406-V415 HydrophobicContact CB-CG2 4.03Å |
| 407 | V | 96.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 30% | 0.297 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.7 | -43.4 | -178.9 | 158.2 | 0 | 0 | 0 | 0 | 113.7 | L403 L409 G411 A412 V415 | L403-V407 WeakPolarHBondContact O-CG2 3.46Å; L403-V407 PolarHBondContact O-N 2.85Å; V407-L409 VanDerWaalsContact C-N 3.33Å; V407-L409 PolarHBondContact O-N 3.34Å; V407-G411 CarbonylContact O-C 3.53Å; V407-G411 WeakPolarHBondContact O-CA 3.11Å; V407-G411 PolarHBondContact O-N 3.09Å; V407-A412 HydrophobicContact CG1-CB 3.96Å; V407-A412 HydrophobicContact CG2-CB 4.29Å; V407-V415 HydrophobicContact CG2-CB 3.95Å; V407-V415 HydrophobicContact CG2-CG1 4Å; V407-V415 HydrophobicContact CG2-CG2 4.33Å |
| 408 | P | 96.5 | Very high | 94 | Very high | 106 Ų | 106 | 48 Ų | 48 | 69% | 0.688 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.6 | -30.5 | 171.5 | -28 | 35.9 | 0 | 0 | 0 | 115.6 | A404 V405 | A404-P408 WeakPolarHBondContact O-CD 3.35Å; V405-P408 WeakPolarHBondContact O-CD 3.4Å |
| 409 | L | 96.6 | Very high | 93.4 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -91.2 | -39.3 | -171 | -58.1 | 176.9 | 0 | 0 | 0 | 113.2 | A368 E369 H373 L376 L406 V407 | A368-L409 HydrophobicContact CB-CD1 3.66Å; E369-L409 HydrophobicContact CB-CD2 4.5Å; H373-L409 PolarHBondContact ND1-O 3.17Å; L376-L409 HydrophobicContact CD1-CB 3.89Å; L376-L409 HydrophobicContact CD1-CD1 4.04Å; L406-L409 PolarHBondContact O-N 3.19Å; V407-L409 VanDerWaalsContact C-N 3.33Å; V407-L409 PolarHBondContact O-N 3.34Å |
| 410 | L | 96.2 | Very high | 92.7 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -102.6 | -18.9 | 179.9 | -70.4 | -178.8 | 0 | 0 | 0 | 113.3 | L376 K377 L381 L406 V414 V415 | L376-L410 HydrophobicContact CB-CD1 4.13Å; L376-L410 HydrophobicContact CB-CD2 3.66Å; L376-L410 HydrophobicContact CB-CG 4.04Å; L376-L410 HydrophobicContact CD1-CD2 4.48Å; K377-L410 HydrophobicContact CB-CD2 3.87Å; L381-L410 HydrophobicContact CB-CD1 4.07Å; L381-L410 HydrophobicContact CD2-CD1 3.87Å; L381-L410 HydrophobicContact CG-CD1 4.47Å; L406-L410 PolarHBondContact O-N 3.4Å; L410-V414 HydrophobicContact CB-CB 4.2Å; L410-V414 HydrophobicContact CB-CG1 4.2Å; L410-V414 HydrophobicContact CD1-CG1 4.33Å; L410-V414 WeakPolarHBondContact O-CG2 3.48Å; L410-V415 HydrophobicContact CB-CG2 3.65Å; L410-V415 HydrophobicContact CD1-CG2 4.13Å; L410-V415 HydrophobicContact CG-CG2 4.48Å |
| 411 | G | 94 | Very high | 92.3 | Very high | 31 Ų | 31 | 62 Ų | 62 | 32% | 0.32 | 38% | 0.377 | S | S | . | . | trans | 82.8 | 137.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V407 Q413 V414 V415 | V407-G411 CarbonylContact O-C 3.53Å; V407-G411 WeakPolarHBondContact O-CA 3.11Å; V407-G411 PolarHBondContact O-N 3.09Å; G411-Q413 PolarHBondContact O-N 3.37Å; G411-V414 PolarHBondContact O-N 2.95Å; G411-V415 PolarHBondContact O-N 3.07Å | ||
| 412 | A | 91.6 | Very high | 91.8 | Very high | 19 Ų | 19 | 65.1 Ų | 65.1 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.1 | -18.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V407 V416 | V407-A412 HydrophobicContact CG1-CB 3.96Å; V407-A412 HydrophobicContact CG2-CB 4.29Å; A412-V416 HydrophobicContact CB-CG2 4.42Å; A412-V416 VanDerWaalsContact O-CB 3.3Å; A412-V416 WeakPolarHBondContact O-CB 3.2Å; A412-V416 WeakPolarHBondContact O-CG2 3.42Å; A412-V416 PolarHBondContact O-N 3.13Å; A412-V416 VanDerWaalsContact O-N 3.13Å |
| 413 | Q | 91.1 | Very high | 91.3 | Very high | 99 Ų | 99 | 70.1 Ų | 70.1 | 46% | 0.463 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.9 | -34.3 | 173.3 | -170.7 | 59.5 | 48.4 | 0 | 0 | 112.6 | G411 G417 G418 R420 | G411-Q413 PolarHBondContact O-N 3.37Å; Q413-G417 PolarHBondContact O-N 3.21Å; Q413-G418 PolarHBondContact NE2-O 3.47Å; Q413-R420 VanDerWaalsContact OE1-CD 3.26Å |
| 414 | V | 93.8 | Very high | 90.9 | Very high | 56 Ų | 56 | 77.9 Ų | 77.9 | 34% | 0.339 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -83.4 | -40.7 | -179.6 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | K377 L381 L410 G411 | K377-V414 HydrophobicContact CD-CG1 4.49Å; K377-V414 HydrophobicContact CG-CG1 3.95Å; L381-V414 HydrophobicContact CD2-CG1 3.98Å; L410-V414 HydrophobicContact CB-CB 4.2Å; L410-V414 HydrophobicContact CB-CG1 4.2Å; L410-V414 HydrophobicContact CD1-CG1 4.33Å; L410-V414 WeakPolarHBondContact O-CG2 3.48Å; G411-V414 PolarHBondContact O-N 2.95Å |
| 415 | V | 93.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 83.6 Ų | 83.6 | 4% | 0.042 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -80.3 | -36.8 | -173.6 | -174.6 | 0 | 0 | 0 | 0 | 113.4 | L381 L403 L406 V407 L410 G411 | L381-V415 HydrophobicContact CD1-CG1 4.09Å; L403-V415 HydrophobicContact CB-CG1 3.94Å; L403-V415 HydrophobicContact CD2-CG1 3.63Å; L403-V415 HydrophobicContact CG-CG1 4.38Å; L406-V415 HydrophobicContact CB-CG1 4.3Å; L406-V415 HydrophobicContact CB-CG2 4.03Å; V407-V415 HydrophobicContact CG2-CB 3.95Å; V407-V415 HydrophobicContact CG2-CG1 4Å; V407-V415 HydrophobicContact CG2-CG2 4.33Å; L410-V415 HydrophobicContact CB-CG2 3.65Å; L410-V415 HydrophobicContact CD1-CG2 4.13Å; L410-V415 HydrophobicContact CG-CG2 4.48Å; G411-V415 PolarHBondContact O-N 3.07Å |
| 416 | V | 87.5 | Confident | 89.7 | Confident | 105 Ų | 105 | 91.5 Ų | 91.5 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -94.8 | -26.3 | -178.3 | -172.4 | 0 | 0 | 0 | 0 | 111.9 | A412 | A412-V416 HydrophobicContact CB-CG2 4.42Å; A412-V416 VanDerWaalsContact O-CB 3.3Å; A412-V416 WeakPolarHBondContact O-CB 3.2Å; A412-V416 WeakPolarHBondContact O-CG2 3.42Å; A412-V416 PolarHBondContact O-N 3.13Å; A412-V416 VanDerWaalsContact O-N 3.13Å |
| 417 | G | 84.1 | Confident | 88.9 | Confident | 32 Ų | 32 | 97.5 Ų | 97.5 | 33% | 0.33 | 53% | 0.526 | S | S | . | . | trans | 67.1 | -171.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q413 | Q413-G417 PolarHBondContact O-N 3.21Š| ||
| 418 | G | 79.9 | Confident | 87.9 | Confident | 59 Ų | 59 | 99.5 Ų | 99.5 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 67 | 173.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116 | Q413 R420 | Q413-G418 PolarHBondContact NE2-O 3.47Å; G418-R420 PolarHBondContact O-N 3.02Å |
| 419 | D | 82.3 | Confident | 86.5 | Confident | 173 Ų | 173 | 98.9 Ų | 98.9 | 93% | 0.925 | 54% | 0.535 | S | S | * | . | trans | -78.3 | 119.5 | 175.5 | -83.5 | -47.3 | 0 | 0 | 0 | 111.8 | S421 | D419-S421 PolarHBondContact O-N 3.08Š| ||
| 420 | R | 84.1 | Confident | 84.9 | Confident | 148 Ų | 148 | 100.6 Ų | 100.6 | 56% | 0.558 | 55% | 0.551 | S | S | * | * | trans | -96.8 | 94.8 | -170.7 | -66.9 | -176.2 | 60.4 | -112.6 | -0.2 | 112.4 | Q413 G418 | Q413-R420 VanDerWaalsContact OE1-CD 3.26Å; G418-R420 PolarHBondContact O-N 3.02Å | ||
| 421 | S | 86.9 | Confident | 83.3 | Confident | 101 Ų | 101 | 108.5 Ų | 108.5 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | trans | -82.9 | 156.8 | 175.5 | 74.3 | 0 | 0 | 0 | 0 | 113.4 | D419 V423 | D419-S421 PolarHBondContact O-N 3.08Å; S421-V423 PolarHBondContact O-N 3.37Å | ||
| 422 | K | 86.8 | Confident | 81.7 | Confident | 180 Ų | 180 | 113.7 Ų | 113.7 | 78% | 0.783 | 61% | 0.611 | S | S | * | * | trans | -93.5 | 84.7 | -178.7 | -171.9 | -174.3 | 175.8 | -179.1 | 0 | 111.8 | F424 | K422-F424 WeakPolarHBondContact CE-O 3.5Š| ||
| 423 | V | 88.4 | Confident | 80 | Confident | 107 Ų | 107 | 123.4 Ų | 123.4 | 65% | 0.648 | 64% | 0.644 | S | S | * | * | trans | -68 | -49.6 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | S421 | S421-V423 PolarHBondContact O-N 3.37Š| ||
| 424 | F | 87.7 | Confident | 78.2 | Confident | 182 Ų | 182 | 124.4 Ų | 124.4 | 80% | 0.798 | 66% | 0.662 | S | S | * | * | trans | -84.8 | 133.4 | -171.8 | -58.1 | -73.9 | 0 | 0 | 0 | 113.7 | K422 | K422-F424 WeakPolarHBondContact CE-O 3.5Š| ||
| 425 | K | 88.8 | Confident | 76.1 | Confident | 184 Ų | 184 | 126.6 Ų | 126.6 | 80% | 0.8 | 69% | 0.686 | S | S | * | * | trans | -95.4 | 136 | 174.4 | -64.6 | 175.9 | -176.1 | 172.1 | 0 | 109.7 | T427 | K425-T427 PolarHBondContact O-N 3.17Š| ||
| 426 | R | 81.4 | Confident | 74 | Confident | 212 Ų | 212 | 135 Ų | 135 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | trans | -80.5 | 97.9 | 177 | -176.7 | 179.4 | 177.9 | 150.4 | 4.7 | 109.8 | T428 | R426-T428 VanDerWaalsContact C-N 3.32Å; R426-T428 HydrophobicContact CG-CG2 4.12Å; R426-T428 PolarHBondContact NE-OG1 3Å; R426-T428 PolarHBondContact O-N 3.4Å | ||
| 427 | T | 79.3 | Confident | 72.2 | Confident | 126 Ų | 126 | 136.5 Ų | 136.5 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -91.4 | 28.9 | -178.4 | 47.4 | 0 | 0 | 0 | 0 | 113.6 | K425 P429 | K425-T427 PolarHBondContact O-N 3.17Å; T427-P429 VanDerWaalsContact O-CD 3.26Å; T427-P429 WeakPolarHBondContact O-CD 3.44Å; T427-P429 VanDerWaalsContact O-N 3.13Å | ||
| 428 | T | 76.3 | Confident | 70 | Confident | 91 Ų | 91 | 141.5 Ų | 141.5 | 56% | 0.558 | 76% | 0.758 | S | S | * | * | trans | -60.9 | 115.3 | 176.5 | 41.5 | 0 | 0 | 0 | 0 | 110.3 | R426 | R426-T428 VanDerWaalsContact C-N 3.32Å; R426-T428 HydrophobicContact CG-CG2 4.12Å; R426-T428 PolarHBondContact NE-OG1 3Å; R426-T428 PolarHBondContact O-N 3.4Å | ||
| 429 | P | 67.4 | Low | 68.2 | Low | 94 Ų | 94 | 144.2 Ų | 144.2 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | trans | -66.4 | 134.7 | -177.1 | 26.7 | -34.7 | 0 | 0 | 0 | 111 | T427 F431 | T427-P429 VanDerWaalsContact O-CD 3.26Å; T427-P429 WeakPolarHBondContact O-CD 3.44Å; T427-P429 VanDerWaalsContact O-N 3.13Å; P429-F431 VanDerWaalsContact C-N 3.31Å; P429-F431 HydrophobicContact CB-CD2 4.1Å; P429-F431 HydrophobicContact CB-CE2 3.82Å; P429-F431 HydrophobicContact CB-CZ 4.39Å; P429-F431 HydrophobicContact CG-CD2 3.85Å; P429-F431 HydrophobicContact CG-CE2 3.43Å; P429-F431 VanDerWaalsContact CG-CE2 3.43Å; P429-F431 HydrophobicContact CG-CZ 4.32Å; P429-F431 PolarHBondContact O-N 2.94Å | ||
| 430 | S | 61.2 | Low | 66.2 | Low | 96 Ų | 96 | 145.2 Ų | 145.2 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | -83.1 | 69 | -174.9 | 60.7 | 0 | 0 | 0 | 0 | 112.2 | T432 | S430-T432 PolarHBondContact O-N 2.98Å; S430-T432 VanDerWaalsContact O-N 3.12Å | ||
| 431 | F | 63.6 | Low | 64.2 | Low | 177 Ų | 177 | 144.3 Ų | 144.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -10.2 | 177.2 | -75 | -67.6 | 0 | 0 | 0 | 114.3 | P429 R433 | P429-F431 VanDerWaalsContact C-N 3.31Å; P429-F431 HydrophobicContact CB-CD2 4.1Å; P429-F431 HydrophobicContact CB-CE2 3.82Å; P429-F431 HydrophobicContact CB-CZ 4.39Å; P429-F431 HydrophobicContact CG-CD2 3.85Å; P429-F431 HydrophobicContact CG-CE2 3.43Å; P429-F431 VanDerWaalsContact CG-CE2 3.43Å; P429-F431 HydrophobicContact CG-CZ 4.32Å; P429-F431 PolarHBondContact O-N 2.94Å; F431-R433 VanDerWaalsContact C-N 3.29Å; F431-R433 PolarHBondContact O-N 3.16Å |
| 432 | T | 60.6 | Low | 61.5 | Low | 139 Ų | 139 | 145.3 Ų | 145.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 27 | 179.2 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | S430 | S430-T432 PolarHBondContact O-N 2.98Å; S430-T432 VanDerWaalsContact O-N 3.12Å |
| 433 | R | 55.8 | Low | 59.6 | Low | 223 Ų | 223 | 142.3 Ų | 142.3 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -129.7 | 41.9 | 172.8 | -159.4 | -177.4 | -88.5 | 176.4 | -7.8 | 113.3 | F431 | F431-R433 VanDerWaalsContact C-N 3.29Å; F431-R433 PolarHBondContact O-N 3.16Å |
| 434 | S | 52.5 | Low | 57.4 | Low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -137.5 | 58.8 | 167.8 | -61.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 435 | A | 50.4 | Low | 55.1 | Low | 103 Ų | 103 | 143.1 Ų | 143.1 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -129.4 | 54 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 436 | E | 49.3 | Very low | 52.8 | Low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -139.3 | 132 | 171.8 | -164.3 | 162.9 | -147.7 | 0 | 0 | 108.3 | ||
| 437 | V | 49.1 | Very low | 50.5 | Low | 136 Ų | 136 | 138.1 Ų | 138.1 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 64.5 | 85.3 | -174.8 | -162.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 438 | T | 39.3 | Very low | 48.1 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -129.2 | 137.5 | 135.6 | 32.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 439 | P | 40.6 | Very low | 45.9 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -82.9 | 153 | -175.5 | 32.9 | -35.3 | 0 | 0 | 0 | 112.9 | T441 | P439-T441 PolarHBondContact O-N 2.92Š| ||
| 440 | E | 41.8 | Very low | 44.2 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -70.3 | 94.1 | 174.1 | -63.5 | -174.6 | 153.8 | 0 | 0 | 112.1 | ||
| 441 | T | 41 | Very low | 42.9 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -176.2 | 102.5 | 145.5 | 43.3 | 0 | 0 | 0 | 0 | 112.1 | P439 | P439-T441 PolarHBondContact O-N 2.92Š| ||
| 442 | S | 30.3 | Very low | 41.3 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -175.5 | 157.4 | 145.3 | -89 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 443 | P | 45.9 | Very low | 40 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -94.6 | 165.4 | -154.8 | 36.3 | -37.2 | 0 | 0 | 0 | 116.1 | ||||
| 444 | V | 42.8 | Very low | 38.7 | Very low | 120 Ų | 120 | 135 Ų | 135 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -61.5 | 134.6 | 173.4 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | I446 | V444-I446 HydrophobicContact CG1-CG1 4.06Š| ||
| 445 | H | 39.4 | Very low | 37.7 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -130.7 | 141.2 | 149.6 | -95.6 | -88.8 | 0 | 0 | 0 | 110.3 | ||||
| 446 | I | 40.9 | Very low | 36.9 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -103.9 | 137.5 | -175.6 | -66.1 | 164.3 | 0 | 0 | 0 | 108.9 | V444 | V444-I446 HydrophobicContact CG1-CG1 4.06Š| ||
| 447 | V | 32.8 | Very low | 36 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | trans | -179.2 | 141.7 | 140 | 139.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 448 | G | 29 | Very low | 35.2 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | 80.4 | 62.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | S450 | G448-S450 PolarHBondContact O-N 3.44Š| ||
| 449 | S | 29.2 | Very low | 34.9 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -81.2 | 100.4 | 167.3 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 450 | S | 33.6 | Very low | 34.5 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -86 | 104.8 | 168.1 | 42.5 | 0 | 0 | 0 | 0 | 111.3 | G448 S452 | G448-S450 PolarHBondContact O-N 3.44Å; S450-S452 PolarHBondContact O-N 3.5Å | ||
| 451 | N | 32.8 | Very low | 34.1 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -80.4 | 96.8 | -179.5 | -91.6 | -10.1 | 0 | 0 | 0 | 112.5 | Q453 | N451-Q453 HydrophobicContact CB-CG 4.49Å; N451-Q453 PolarHBondContact O-N 3.31Å; N451-Q453 VanDerWaalsContact O-N 3.16Å | ||
| 452 | S | 31.1 | Very low | 33.5 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -78.6 | 86.1 | 159.8 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | S450 M454 | S450-S452 PolarHBondContact O-N 3.5Å; S452-M454 PolarHBondContact O-N 3.32Å | ||
| 453 | Q | 32.1 | Very low | 33.5 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | -76.5 | 87.6 | 177.9 | -81.9 | -170.1 | -30.3 | 0 | 0 | 112.5 | N451 V455 | N451-Q453 HydrophobicContact CB-CG 4.49Å; N451-Q453 PolarHBondContact O-N 3.31Å; N451-Q453 VanDerWaalsContact O-N 3.16Å; Q453-V455 PolarHBondContact O-N 3.47Å | ||
| 454 | M | 29 | Very low | 32.7 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -74.2 | 101.4 | 164.1 | -171.2 | 179.3 | 72.4 | 0 | 0 | 109.6 | S452 Q456 | S452-M454 PolarHBondContact O-N 3.32Å; M454-Q456 PolarHBondContact O-N 3.26Å | ||
| 455 | V | 31.7 | Very low | 32.2 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 117.1 | -176 | 179 | 0 | 0 | 0 | 0 | 111.2 | Q453 | Q453-V455 PolarHBondContact O-N 3.47Š|
| 456 | Q | 32.9 | Very low | 31.6 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -93 | 137.6 | 163.7 | -69.5 | -170.3 | 8 | 0 | 0 | 110.2 | M454 S458 | M454-Q456 PolarHBondContact O-N 3.26Å; Q456-S458 PolarHBondContact O-N 3.35Å |
| 457 | P | 31.8 | Very low | 31.2 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 127 | 170.9 | 28.2 | -33.3 | 0 | 0 | 0 | 110.4 | ||
| 458 | S | 30.9 | Very low | 31 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 131.6 | -176.8 | 44.3 | 0 | 0 | 0 | 0 | 112 | Q456 | Q456-S458 PolarHBondContact O-N 3.35Š|
| 459 | K | 34.3 | Very low | 30.9 | Very low | 207 Ų | 207 | 147 Ų | 147 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | trans | -92.4 | 111.1 | 172 | -68.3 | -176.5 | 179.3 | -176.8 | 0 | 110.2 | ||||
| 460 | I | 31.4 | Very low | 30.8 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -121.7 | 141.3 | 160.6 | -63.6 | -177 | 0 | 0 | 0 | 108 | ||||
| 461 | L | 33 | Very low | 30.5 | Very low | 141 Ų | 141 | 151.3 Ų | 151.3 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -87.3 | 127.4 | -167.4 | -72 | 141.7 | 0 | 0 | 0 | 112 | M463 | L461-M463 HydrophobicContact CB-CG 4.33Å; L461-M463 HydrophobicContact CD2-CE 4.37Å | ||
| 462 | N | 29.4 | Very low | 30.2 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -75.3 | 121.1 | 152.5 | -82.3 | -22.1 | 0 | 0 | 0 | 108.7 | ||||
| 463 | M | 28.8 | Very low | 30 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | -119.6 | 102 | 172.3 | -76.9 | -78.5 | 97.9 | 0 | 0 | 109.4 | L461 | L461-M463 HydrophobicContact CB-CG 4.33Å; L461-M463 HydrophobicContact CD2-CE 4.37Å | ||
| 464 | L | 30 | Very low | 29.7 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -128.1 | 129.7 | 163.4 | -131.8 | 77.1 | 0 | 0 | 0 | 107.7 | ||||
| 465 | P | 32.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 147.4 | -172.7 | 31.6 | -34.9 | 0 | 0 | 0 | 112.7 | ||
| 466 | K | 27 | Very low | 29.4 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -103 | 146.8 | 158.9 | -111.2 | -174.2 | 173.4 | -178.9 | 0 | 109.2 | ||
| 467 | P | 32.6 | Very low | 29.3 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 161.2 | -176.5 | 34.6 | -35.7 | 0 | 0 | 0 | 112.8 | ||
| 468 | S | 28.8 | Very low | 29.2 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -145.1 | 160.7 | 160.7 | 59.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 469 | E | 27.1 | Very low | 29 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -103.1 | 148.4 | -153.8 | -67.5 | -173.3 | 124.7 | 0 | 0 | 116.5 | ||||
| 470 | T | 26.6 | Very low | 28.8 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 57.6 | 113 | 139.5 | -58.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 471 | K | 27.8 | Very low | 28.8 | Very low | 205 Ų | 205 | 140.4 Ų | 140.4 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | -165.9 | 110.9 | 125.3 | -110.1 | 165.6 | -173.6 | 174.6 | 0 | 115 | |||||
| 472 | G | 25.9 | Very low | 28.7 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 63.1 | 121.7 | 136.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 473 | S | 26.4 | Very low | 28.6 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 69 | 149.5 | 152.2 | -75.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 474 | D | 25.3 | Very low | 28.5 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | cis | -161.2 | 165.2 | 0.5 | -117.4 | 13 | 0 | 0 | 0 | 113.4 | ||||
| 475 | F | 27.4 | Very low | 28.5 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 51.9 | 93 | 156.6 | -72 | -70.5 | 0 | 0 | 0 | 124.5 | ||||
| 476 | S | 28.4 | Very low | 28.2 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | 86.1 | 147.8 | 109.4 | 79.4 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 477 | H | 29.4 | Very low | 28.2 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 84.1 | 100.4 | 146.2 | -76.8 | -62.9 | 0 | 0 | 0 | 125.9 | ||||
| 478 | V | 30.7 | Very low | 28.9 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | 79 | 132.7 | 119.8 | 170.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 479 | G | 27.3 | Very low | 28.9 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | trans | 130.2 | 113 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 480 | N | 29.2 | Very low | 28.9 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | cis | 62.5 | 134.8 | 38.1 | -77.2 | -1.6 | 0 | 0 | 0 | 114.2 | ||||
| 481 | L | 31.3 | Very low | 29.1 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | cis | -165.3 | 168.6 | 12.8 | -119.3 | 165.8 | 0 | 0 | 0 | 112.6 | ||||
| 482 | T | 30.7 | Very low | 29.7 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | 61.9 | 158.6 | 162.7 | 53.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 483 | G | 27.9 | Very low | 30.7 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | cis | 164.8 | 120.1 | -9.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 484 | T | 26.9 | Very low | 30.7 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | 86.5 | 151.8 | 90.5 | -45.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 485 | Q | 29 | Very low | 30.9 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 78.8 | 145.9 | -175.4 | -65.4 | 176.1 | -81 | 0 | 0 | 115.9 | ||||
| 486 | E | 27.5 | Very low | 30.9 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | -153.3 | -172 | -2.1 | -132.1 | 163.8 | -146.6 | 0 | 0 | 115.3 | ||||
| 487 | K | 25.2 | Very low | 30.8 | Very low | 192 Ų | 192 | 135 Ų | 135 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | -165.5 | 175.8 | -172.9 | -115.8 | -177.1 | -179.9 | 174 | 0 | 109.6 | ||||
| 488 | P | 48.3 | Very low | 30.6 | Very low | 95 Ų | 95 | 132 Ų | 132 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | cis | -145.6 | -170.9 | -18.5 | 43.8 | -25.2 | 0 | 0 | 0 | 116.8 | ||||
| 489 | R | 28.9 | Very low | 30.5 | Very low | 236 Ų | 236 | 136.5 Ų | 136.5 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | 74 | 160.8 | 159 | -63.6 | 172.2 | 172.5 | 169 | -3.9 | 117.3 | ||||
| 490 | V | 27.2 | Very low | 30.4 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | -151.2 | 113.4 | 31.9 | 172.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 491 | I | 29.9 | Very low | 30.3 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | 54.4 | -172.2 | 139.8 | -12 | 170.8 | 0 | 0 | 0 | 122 | ||||
| 492 | P | 40.5 | Very low | 30.5 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | -135.3 | -139.8 | -125.6 | 50.6 | -28.7 | 0 | 0 | 0 | 114.8 | |||||
| 493 | P | 46.9 | Very low | 30.5 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | cis | -132.4 | 165.4 | -33.8 | 38.5 | -22.8 | 0 | 0 | 0 | 115.6 | ||||
| 494 | S | 25.8 | Very low | 30.4 | Very low | 120 Ų | 120 | 147 Ų | 147 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -174 | 160.1 | 143.5 | 56 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 495 | S | 30.3 | Very low | 30.3 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -41.8 | 160.7 | 172.1 | 54.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 496 | D | 26.8 | Very low | 30.3 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | cis | -166.9 | 166.1 | 37.5 | -164.2 | 22.3 | 0 | 0 | 0 | 115.3 | ||||
| 497 | N | 26.9 | Very low | 30.2 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | trans | 43.5 | 121.5 | 152.8 | -93.2 | -55.3 | 0 | 0 | 0 | 125.5 | ||||
| 498 | S | 26.3 | Very low | 30.3 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | 103.9 | 143.3 | 128.9 | 85.6 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 499 | R | 28.3 | Very low | 29.3 | Very low | 235 Ų | 235 | 145.6 Ų | 145.6 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | 71.3 | 106.1 | 155.6 | -71.7 | -178.4 | 173.3 | -178.5 | -1.3 | 123.2 | ||||
| 500 | K | 25.7 | Very low | 29.2 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | 51.2 | 126.8 | 129.6 | -72.1 | -163.9 | 173.5 | -167.1 | 0 | 122.6 | |||||
| 501 | M | 26.4 | Very low | 29.2 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | trans | 70.1 | 160.6 | 149.2 | -64.8 | 170.6 | 72.3 | 0 | 0 | 117.9 | ||||
| 502 | P | 36.1 | Very low | 29.1 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | cis | -119.2 | -175.3 | -10.7 | 38.9 | -23.9 | 0 | 0 | 0 | 113.7 | ||||
| 503 | L | 30.2 | Very low | 28.3 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | -73 | 152.3 | 168.2 | -71.5 | 164.6 | 0 | 0 | 0 | 112.1 | ||||
| 504 | T | 25.8 | Very low | 27.3 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | -140.5 | 159.8 | 168.1 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 505 | L | 24.8 | Very low | 27.3 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -57.8 | 157.1 | -165.6 | -127.6 | 67.5 | 0 | 0 | 0 | 119 | ||||
| 506 | N | 29.3 | Very low | 27 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -19 | 149.6 | 156.6 | -60.8 | -19 | 0 | 0 | 0 | 119.4 | ||||
| 507 | G | 25.5 | Very low | 26.8 | Very low | 59 Ų | 59 | 154.3 Ų | 154.3 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | trans | 166.2 | 115.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 508 | F | 26.5 | Very low | 26.6 | Very low | 192 Ų | 192 | 156.7 Ų | 156.7 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | 67.7 | 158 | 153.8 | -57.6 | -76.8 | 0 | 0 | 0 | 118.1 | ||||
| 509 | H | 27.4 | Very low | 26.5 | Very low | 145 Ų | 145 | 160.3 Ų | 160.3 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | cis | -141 | 148.1 | 6.8 | -107.5 | -36.5 | 0 | 0 | 0 | 108.9 | ||||
| 510 | R | 27.5 | Very low | 26.3 | Very low | 189 Ų | 189 | 152.3 Ų | 152.3 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | 65.8 | 131.7 | 76.3 | -169.5 | -176.1 | 159.6 | -150.7 | -24.3 | 112.3 | |||||
| 511 | D | 26 | Very low | 26.4 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 53% | 0.529 | 78% | 0.778 | S | S | . | * | -159.7 | 157.1 | 52.5 | -133.6 | -15.7 | 0 | 0 | 0 | 114.8 | |||||
| 512 | N | 28 | Very low | 26.5 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | 19.4 | 151.2 | 150.6 | -67.9 | -22 | 0 | 0 | 0 | 122.9 | ||||
| 513 | N | 23.6 | Very low | 25.9 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | -174.7 | 172.3 | 58 | -162 | 7 | 0 | 0 | 0 | 115.3 | |||||
| 514 | R | 26 | Very low | 25.8 | Very low | 222 Ų | 222 | 146.3 Ų | 146.3 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | 83.5 | 79.4 | 166.9 | -64.1 | -175.2 | 151.8 | -164.7 | -8.7 | 118 | ||||
| 515 | Q | 25.1 | Very low | 25.8 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | 60.1 | 114.3 | 76.9 | -164.5 | 171.6 | 17 | 0 | 0 | 115.5 | |||||
| 516 | E | 24.2 | Very low | 25.9 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -85.5 | 165.7 | 176 | -55.7 | 170.6 | 123.5 | 0 | 0 | 113.2 | ||||
| 517 | V | 24 | Very low | 26 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -140.9 | 129.9 | 162.7 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 518 | F | 22.8 | Very low | 26.2 | Very low | 180 Ų | 180 | 156.7 Ų | 156.7 | 79% | 0.789 | 78% | 0.781 | S | S | * | * | trans | -81.7 | 150.9 | 177.8 | -99.2 | -106.2 | 0 | 0 | 0 | 113.5 | ||||
| 519 | L | 23.9 | Very low | 26.4 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -154.8 | 152.9 | 151.1 | -104.3 | 165.5 | 0 | 0 | 0 | 108.4 | ||||
| 520 | G | 22.9 | Very low | 26.6 | Very low | 67 Ų | 67 | 150.1 Ų | 150.1 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | -154.1 | -155.6 | -169 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 521 | S | 27.5 | Very low | 26.8 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 70.8 | 140.1 | -161 | -78.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 522 | E | 28.5 | Very low | 27.1 | Very low | 148 Ų | 148 | 151.2 Ų | 151.2 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | cis | -164 | 178 | -0.3 | -118.8 | 166.3 | 78.5 | 0 | 0 | 108.9 | ||||
| 523 | Q | 25.5 | Very low | 27.2 | Very low | 172 Ų | 172 | 152 Ų | 152 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | -143.6 | -76.2 | 12.5 | -161.4 | 167.5 | 83.5 | 0 | 0 | 115.3 | ||||
| 524 | A | 27.6 | Very low | 27.7 | Very low | 86 Ų | 86 | 157.1 Ų | 157.1 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -141.3 | 161.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 525 | D | 25.1 | Very low | 28.2 | Very low | 164 Ų | 164 | 151.5 Ų | 151.5 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | -152.7 | 172.8 | 60.4 | -147.8 | -16.9 | 0 | 0 | 0 | 114 | |||||
| 526 | R | 27.9 | Very low | 28.4 | Very low | 211 Ų | 211 | 149 Ų | 149 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -111.6 | 133.2 | -178.5 | -83.9 | -179.8 | 164.3 | -168.4 | -7.4 | 113.2 | ||||
| 527 | L | 30.4 | Very low | 28.9 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 94% | 0.942 | 81% | 0.805 | S | S | * | * | trans | -139.7 | 139.3 | 150.7 | -82.6 | 176.1 | 0 | 0 | 0 | 109.7 | ||||
| 528 | E | 30.4 | Very low | 29.2 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -101.8 | 152 | -176.7 | -68.7 | 169.1 | 140.7 | 0 | 0 | 111.5 | ||||
| 529 | G | 29.6 | Very low | 29.6 | Very low | 64 Ų | 64 | 149.1 Ų | 149.1 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | -134.7 | 144.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 530 | P | 32.4 | Very low | 29.9 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -79.5 | 154.8 | -156.8 | 30.5 | -36.6 | 0 | 0 | 0 | 115 | ||||
| 531 | V | 32.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 151 Ų | 151 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -93.7 | 143.5 | 164.3 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | D533 | V531-D533 PolarHBondContact O-N 3.48Š| ||
| 532 | E | 31.5 | Very low | 30.4 | Very low | 187 Ų | 187 | 151.6 Ų | 151.6 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -82.8 | 106.1 | 172.4 | -69.9 | -176.3 | 125.6 | 0 | 0 | 110.7 | ||||
| 533 | D | 30.9 | Very low | 30.5 | Very low | 154 Ų | 154 | 148 Ų | 148 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 144.2 | 172.2 | -81 | -45.2 | 0 | 0 | 0 | 112 | V531 | V531-D533 PolarHBondContact O-N 3.48Š|
| 534 | W | 34 | Very low | 30.7 | Very low | 243 Ų | 243 | 149.2 Ų | 149.2 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 145.1 | 174.5 | -77 | 61.7 | 0 | 0 | 0 | 111.1 | D536 | W534-D536 PolarHBondContact O-N 3.37Š|
| 535 | P | 34.7 | Very low | 30.8 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 120.6 | -177 | -18.7 | 32.4 | 0 | 0 | 0 | 113.5 | ||
| 536 | D | 30.5 | Very low | 31.1 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 146.8 | 160.1 | -170.4 | -4.4 | 0 | 0 | 0 | 109.8 | W534 S538 | W534-D536 PolarHBondContact O-N 3.37Å; D536-S538 PolarHBondContact OD1-OG 3.41Å |
| 537 | W | 33.9 | Very low | 31.2 | Very low | 240 Ų | 240 | 150.2 Ų | 150.2 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -135.3 | 77.2 | 176.6 | -78.5 | 98.3 | 0 | 0 | 0 | 110 | ||||
| 538 | S | 30.3 | Very low | 31.2 | Very low | 83 Ų | 83 | 146.3 Ų | 146.3 | 58% | 0.58 | 79% | 0.787 | S | S | * | * | trans | -131.7 | 124.5 | 169.1 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | D536 | D536-S538 PolarHBondContact OD1-OG 3.41Š| ||
| 539 | E | 31.1 | Very low | 31.1 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | 65.6 | 146.3 | 172.4 | -69.3 | -172.7 | -147.7 | 0 | 0 | 116.8 | ||||
| 540 | N | 30.9 | Very low | 31 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | cis | -151.5 | 159.6 | -0.1 | -108.1 | -35.2 | 0 | 0 | 0 | 110 | V542 | N540-V542 HydrophobicContact CB-CG2 4.5Š| ||
| 541 | D | 29.3 | Very low | 30.8 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -148.5 | 144 | 141.2 | -154.1 | -7.2 | 0 | 0 | 0 | 110.3 | ||||
| 542 | V | 32.5 | Very low | 30.5 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -145.4 | 115.3 | -162.9 | -172.4 | 0 | 0 | 0 | 0 | 112.9 | N540 | N540-V542 HydrophobicContact CB-CG2 4.5Š| ||
| 543 | G | 30.3 | Very low | 30.5 | Very low | 72 Ų | 72 | 149.8 Ų | 149.8 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 130.5 | 141.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 544 | E | 29.7 | Very low | 30.2 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | cis | -148.6 | 174.3 | -5.3 | -135.8 | -175.9 | -171.6 | 0 | 0 | 110.8 | ||||
| 545 | S | 29.7 | Very low | 30.1 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -61.9 | 150.7 | -161.6 | 69.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 546 | R | 29.7 | Very low | 29.8 | Very low | 223 Ų | 223 | 150.1 Ų | 150.1 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | -170 | 133 | 113.3 | -104.9 | 165 | -171.9 | -169 | 3.2 | 116.2 | |||||
| 547 | N | 29.9 | Very low | 29.9 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | 60.8 | 145.2 | 157.6 | -63.9 | -1.7 | 0 | 0 | 0 | 119.2 | ||||
| 548 | A | 30.6 | Very low | 29.8 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -115.3 | 147.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 549 | Q | 28.1 | Very low | 29.8 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -152.1 | 115.4 | 154.5 | -122.1 | 168.3 | -21.5 | 0 | 0 | 110.3 | ||||
| 550 | S | 29.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -94.2 | 122.9 | 178.2 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 551 | V | 26.8 | Very low | 29.9 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | trans | -99.2 | 107.3 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | I553 | V551-I553 HydrophobicContact CG1-CG1 4.42Š| ||
| 552 | H | 26.5 | Very low | 30 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -83 | 135.5 | 161.7 | -90.2 | -52.9 | 0 | 0 | 0 | 109.4 | ||||
| 553 | I | 31.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | -104.5 | 120.4 | 164.1 | -60.6 | 178.2 | 0 | 0 | 0 | 107 | V551 | V551-I553 HydrophobicContact CG1-CG1 4.42Š| ||
| 554 | H | 24.8 | Very low | 29.9 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -92.8 | 144.3 | 165.7 | -110.3 | 37 | 0 | 0 | 0 | 108.8 | ||||
| 555 | I | 32.4 | Very low | 29.9 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -117.4 | 117.6 | 166.8 | -61.1 | 176.5 | 0 | 0 | 0 | 105.5 | ||||
| 556 | E | 29.1 | Very low | 29.9 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -118.9 | 146.2 | -176.2 | -164 | 164 | -129.8 | 0 | 0 | 108.8 | ||||
| 557 | A | 31.9 | Very low | 29.7 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -124.2 | 144.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 558 | S | 31.5 | Very low | 29.8 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -145 | 132.9 | -179.4 | 59 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 559 | E | 31.3 | Very low | 30.6 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -77.8 | 159.8 | 173.2 | -62.4 | 173 | 118.5 | 0 | 0 | 111.1 | ||||
| 560 | G | 31.8 | Very low | 30.8 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -89.4 | -164.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 561 | V | 31.9 | Very low | 31 | Very low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | 172.5 | 125.2 | 145.4 | 148.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 562 | D | 30.1 | Very low | 31.2 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 54.9 | 114.8 | 146.3 | -61.1 | -6.8 | 0 | 0 | 0 | 126.9 | ||||
| 563 | A | 31.5 | Very low | 31.6 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | 98 | 137.8 | 108.9 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 564 | I | 29.7 | Very low | 31.9 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | trans | 68.7 | 137.2 | 160.6 | -57.4 | 148.4 | 0 | 0 | 0 | 115.9 | ||||
| 565 | G | 29.2 | Very low | 32.1 | Very low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | 143.2 | 159.4 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 566 | S | 30 | Very low | 32.4 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | cis | 178.3 | 132.5 | -13.3 | 47.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 567 | S | 26.6 | Very low | 34 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -158.7 | 149.4 | 176.5 | 55.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 568 | L | 31.4 | Very low | 34.1 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -135.4 | 161.5 | 175.5 | -77.6 | 167.3 | 0 | 0 | 0 | 109.7 | ||||
| 569 | P | 47.4 | Very low | 34.2 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | -131.9 | 152.6 | 89.6 | 12.8 | 10.3 | 0 | 0 | 0 | 113.1 | |||||
| 570 | N | 33.1 | Very low | 34.8 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | 64.4 | 138.1 | 70.2 | -136.8 | 45.6 | 0 | 0 | 0 | 112.7 | |||||
| 571 | E | 32.8 | Very low | 34.9 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | cis | -121.5 | -169.1 | 20.4 | -55.8 | 166 | -172.7 | 0 | 0 | 111.3 | ||||
| 572 | N | 30.2 | Very low | 34.9 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -151.6 | -173.7 | 5.7 | -151.1 | -66.4 | 0 | 0 | 0 | 110.4 | ||||
| 573 | A | 36.3 | Very low | 35.6 | Very low | 65 Ų | 65 | 140.3 Ų | 140.3 | 54% | 0.537 | 76% | 0.764 | S | S | . | * | trans | -110.3 | -168.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 574 | E | 37.3 | Very low | 36.5 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | cis | -151.3 | -172.4 | 8.8 | -144.3 | 122.6 | -114.1 | 0 | 0 | 106.8 | ||||
| 575 | E | 28.9 | Very low | 36.9 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | cis | -144.7 | 166.4 | 18.7 | -59.2 | 173.2 | 100.8 | 0 | 0 | 111.4 | ||||
| 576 | E | 39 | Very low | 38.3 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -156.9 | -169.5 | 172.8 | -130 | -173 | -143.8 | 0 | 0 | 106.4 | ||||
| 577 | P | 61.8 | Low | 38.2 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 58% | 0.584 | 76% | 0.76 | S | S | * | * | cis | -130.2 | -109.4 | -30.1 | 36.1 | -13.8 | 0 | 0 | 0 | 111.6 | ||||
| 578 | W | 34.9 | Very low | 38.4 | Very low | 217 Ų | 217 | 143.1 Ų | 143.1 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | 92 | 135.9 | 176.8 | -52.1 | 115.2 | 0 | 0 | 0 | 117.8 | ||||
| 579 | D | 34 | Very low | 38.4 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | cis | -160.7 | 179.4 | -23.7 | -152.7 | -2.1 | 0 | 0 | 0 | 110.7 | ||||
| 580 | D | 42 | Very low | 37.6 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -97.9 | -151.1 | -165.2 | -151.8 | -21.8 | 0 | 0 | 0 | 116 | ||||
| 581 | F | 34 | Very low | 37.5 | Very low | 153 Ų | 153 | 142 Ų | 142 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | trans | 97.1 | 137 | 166.2 | -62.6 | -83 | 0 | 0 | 0 | 117.8 | ||||
| 582 | E | 33 | Very low | 38.5 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | cis | -158 | 158.9 | 3.4 | -150.7 | 160.2 | -140 | 0 | 0 | 113.5 | ||||
| 583 | D | 43.6 | Very low | 38.4 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -105.1 | 158.7 | 175.9 | -102.6 | -36.8 | 0 | 0 | 0 | 111.8 | ||||
| 584 | P | 52 | Low | 38.3 | Very low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | -163.1 | -176.2 | 91 | 42.7 | -20.2 | 0 | 0 | 0 | 119.6 | |||||
| 585 | E | 36.9 | Very low | 38.7 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | trans | -84.5 | -153.4 | 178.4 | -34.2 | 176 | 120.2 | 0 | 0 | 114.9 | ||||
| 586 | P | 58.2 | Low | 38.9 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | cis | -139.7 | -168.3 | -21.3 | 26.3 | -0.4 | 0 | 0 | 0 | 116.4 | ||||
| 587 | T | 29.6 | Very low | 38.5 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | 102.7 | 137.2 | 149 | 72.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 588 | S | 31 | Very low | 37.1 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 52 | 151.7 | 141.7 | -77 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 589 | D | 29.6 | Very low | 36.9 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | cis | -162.5 | 161.8 | -5 | -121.2 | -49.1 | 0 | 0 | 0 | 112.8 | ||||
| 590 | L | 31.8 | Very low | 36.9 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | 55.4 | 148.8 | 153.8 | -62.9 | 172.5 | 0 | 0 | 0 | 124.1 | ||||
| 591 | S | 31.4 | Very low | 36.4 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -91.2 | -166.2 | 171.5 | -39.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 592 | P | 52.7 | Low | 36.2 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | cis | -146.1 | -166.3 | 5.6 | 35.9 | -10.6 | 0 | 0 | 0 | 117.7 | ||||
| 593 | T | 29.2 | Very low | 36 | Very low | 134 Ų | 134 | 125 Ų | 125 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 104.6 | 135.5 | 146.3 | -17.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 594 | A | 33.7 | Very low | 36.5 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -94.9 | -173.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 595 | P | 46.1 | Very low | 35.3 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | cis | -141.8 | -168.6 | 45.7 | 40.4 | -18.3 | 0 | 0 | 0 | 116.1 | ||||
| 596 | S | 32.1 | Very low | 35 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | -97.2 | 158.8 | -169.7 | 53.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 597 | A | 31.9 | Very low | 33.5 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -163.3 | 131.5 | 143.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 598 | D | 31.9 | Very low | 33.5 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 24.9 | 151.8 | 131.5 | -72.8 | -61.1 | 0 | 0 | 0 | 123.5 | ||||
| 599 | S | 31.1 | Very low | 33.3 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | cis | -168.1 | 163.9 | -7.3 | -121.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 600 | L | 33.6 | Very low | 33.3 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | 15.5 | 150.2 | 132.2 | -47.5 | 175.2 | 0 | 0 | 0 | 119.3 | ||||
| 601 | I | 31.9 | Very low | 33 | Very low | 137 Ų | 137 | 125 Ų | 125 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | cis | -174.7 | 166.2 | 17.8 | -134.9 | 174.3 | 0 | 0 | 0 | 114.8 | ||||
| 602 | L | 29.6 | Very low | 32.9 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 56.3 | 120.7 | 155.5 | -62.1 | 172.4 | 0 | 0 | 0 | 125 | ||||
| 603 | T | 27.9 | Very low | 31.7 | Very low | 114 Ų | 114 | 123 Ų | 123 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | 7.7 | 170.8 | 114.7 | 65.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 604 | P | 54.4 | Low | 31.7 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | cis | -137.1 | -163.7 | -29.5 | 33 | -11.2 | 0 | 0 | 0 | 113 | ||||
| 605 | S | 27.3 | Very low | 31.5 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | 135.9 | 123.6 | 117.3 | -159.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 606 | R | 30.3 | Very low | 30.8 | Very low | 207 Ų | 207 | 127.7 Ų | 127.7 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | trans | 61.8 | 144.3 | 141 | -91.5 | -177.6 | 165.9 | 172.2 | -1.6 | 123.4 | ||||
| 607 | R | 26 | Very low | 30.5 | Very low | 212 Ų | 212 | 128.7 Ų | 128.7 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | 72.3 | 150.1 | 147.3 | -78.5 | -176.8 | 178.6 | 165.6 | -1.8 | 117.4 | ||||
| 608 | S | 29.1 | Very low | 30.3 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 56% | 0.559 | 73% | 0.734 | S | S | * | * | cis | -178.1 | 165.4 | -27.4 | 50.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 609 | T | 27.8 | Very low | 30 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | trans | 62.9 | 137.9 | 154.6 | 45.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 610 | T | 28.9 | Very low | 29.7 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | cis | -158.8 | -179.7 | 19.7 | -13.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 611 | T | 27.1 | Very low | 29.4 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | -25.3 | 153.7 | 150.5 | 54.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 612 | S | 27.2 | Very low | 29 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | cis | -153.4 | 164.3 | 28.1 | -20 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 613 | A | 29.1 | Very low | 28.7 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | 48.3 | 135.8 | 76.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 614 | D | 27.8 | Very low | 28.6 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | -163.4 | -175.6 | 2.3 | -142.5 | -42 | 0 | 0 | 0 | 110.4 | ||||
| 615 | Q | 29.6 | Very low | 27.3 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | 71.3 | 131.2 | 171.3 | -60.1 | 166.5 | 6.2 | 0 | 0 | 115.3 | ||||
| 616 | I | 31.8 | Very low | 27.5 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | cis | 76.1 | 92.4 | 35.4 | -50.2 | 166.3 | 0 | 0 | 0 | 113.6 | ||||
| 617 | T | 25.8 | Very low | 27.4 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | -167.6 | 166.7 | 124.6 | 10 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 618 | E | 27.1 | Very low | 27.5 | Very low | 185 Ų | 185 | 131.4 Ų | 131.4 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -72.3 | 168.8 | -178.5 | -57.9 | 160.1 | 108.9 | 0 | 0 | 111.5 | ||||
| 619 | A | 25.6 | Very low | 27.4 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -165.6 | 161.8 | 34.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 620 | L | 26.7 | Very low | 27.5 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 43.5 | 112.9 | 144.8 | -65 | 166.4 | 0 | 0 | 0 | 120.1 | ||||
| 621 | T | 25.7 | Very low | 27.5 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | -165.9 | 148.3 | 116.5 | 12.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 622 | L | 25.1 | Very low | 27.7 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | trans | 46.8 | 101.7 | 146.6 | -68.6 | 163.1 | 0 | 0 | 0 | 121.5 | ||||
| 623 | K | 23.2 | Very low | 27.9 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | 50.6 | 109.6 | 120.4 | -67.1 | -177.6 | -178.8 | 176.9 | 0 | 119.4 | |||||
| 624 | S | 25.3 | Very low | 27.9 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 113.7 | 128.7 | 107.8 | 71.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 625 | S | 27 | Very low | 28 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | trans | 73.9 | 120.1 | 142.1 | 46.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 626 | K | 31.8 | Very low | 28.1 | Very low | 179 Ų | 179 | 139 Ų | 139 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | trans | 72.7 | 99.3 | 136.7 | -63.4 | 171.2 | -178.1 | 179.2 | 0 | 118.9 | ||||
| 627 | P | 28 | Very low | 28.1 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | -64.1 | 147.2 | 129.3 | 32.7 | -34 | 0 | 0 | 0 | 109.9 | |||
| 628 | L | 27.2 | Very low | 28.4 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 119.3 | 176.8 | -79.8 | 166.5 | 0 | 0 | 0 | 111.3 | ||
| 629 | K | 28.6 | Very low | 28.8 | Very low | 175 Ų | 175 | 136 Ų | 136 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -74 | 162.8 | 151.9 | -68.7 | -176.7 | 172.1 | -174.9 | 0 | 109.3 | ||
| 630 | L | 28.7 | Very low | 28.9 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | -163.8 | 114.4 | 108.6 | -114.5 | 78.3 | 0 | 0 | 0 | 107.2 | |||||
| 631 | T | 29.5 | Very low | 29 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | 74.5 | 159.6 | 91.4 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 632 | S | 30.5 | Very low | 29.2 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | cis | -143 | 145.8 | 16 | 39.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 633 | A | 32.5 | Very low | 29.4 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | 63.5 | 142.6 | 60.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 634 | L | 29.6 | Very low | 29.6 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 71% | 0.707 | 76% | 0.758 | S | S | * | * | cis | -124.2 | -164.8 | 30.8 | -74.9 | 66.9 | 0 | 0 | 0 | 112.1 | ||||
| 635 | Y | 28.5 | Very low | 29.7 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | cis | -151.8 | 162.8 | 1.2 | -122 | -20.6 | 0 | 0 | 0 | 114.3 | ||||
| 636 | Q | 32.4 | Very low | 29.8 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | 7.6 | 164.8 | 148.6 | -72.1 | 165.7 | -2.1 | 0 | 0 | 125.3 | ||||
| 637 | S | 31.7 | Very low | 29.6 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | cis | 170.1 | 154.1 | -23.7 | -162.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 638 | T | 32.5 | Very low | 29.6 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | -176.3 | 142.4 | 63.7 | 31.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 639 | Q | 35 | Very low | 29.6 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | trans | 55.7 | 142.6 | 143.8 | -57.9 | -178 | 10 | 0 | 0 | 122.5 | ||||
| 640 | G | 27.6 | Very low | 29.5 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | cis | 163.7 | 156.7 | -14.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 641 | K | 29.2 | Very low | 29.7 | Very low | 203 Ų | 203 | 130 Ų | 130 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | 77.8 | 96.4 | 150.1 | -69.3 | -171.2 | 175.1 | -176.6 | 0 | 124.7 | ||||
| 642 | S | 29.9 | Very low | 29.7 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | 62.9 | 101.5 | 115.1 | 67.2 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 643 | A | 28.2 | Very low | 29.6 | Very low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | 65.4 | 112.3 | 110.3 | 0 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 644 | S | 28.3 | Very low | 29.6 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | 176.6 | 168.1 | 143.7 | 54.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 645 | S | 26.8 | Very low | 29.7 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | cis | -161.4 | -177.4 | -33.6 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 646 | L | 30.3 | Very low | 29.7 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | -77.6 | 165.5 | 165.2 | -69.5 | 77 | 0 | 0 | 0 | 110.4 | ||||
| 647 | D | 26.9 | Very low | 29.6 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -157.5 | 172 | 40.1 | -99.5 | -42.3 | 0 | 0 | 0 | 114.9 | ||||
| 648 | D | 28.6 | Very low | 30.4 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | 41.1 | 112.3 | 153.4 | -76.3 | -12.7 | 0 | 0 | 0 | 125.4 | ||||
| 649 | D | 26.3 | Very low | 30.3 | Very low | 134 Ų | 134 | 142 Ų | 142 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | 48.2 | 168.2 | 116.8 | -156.4 | 26.4 | 0 | 0 | 0 | 124.6 | |||||
| 650 | W | 27.5 | Very low | 30.1 | Very low | 210 Ų | 210 | 137.4 Ų | 137.4 | 80% | 0.795 | 75% | 0.751 | S | S | * | * | trans | 100 | 65.6 | 167.5 | -69.4 | 80 | 0 | 0 | 0 | 121.5 | ||||
| 651 | S | 31.6 | Very low | 31.4 | Very low | 83 Ų | 83 | 139.4 Ų | 139.4 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | 74.7 | 134.6 | 117.2 | 78.5 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 652 | Q | 30.8 | Very low | 31.3 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | trans | 83.8 | 135.8 | 136.3 | -90.7 | -170.7 | 9.6 | 0 | 0 | 124.9 | ||||
| 653 | K | 28.1 | Very low | 31.3 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | trans | 78.1 | 146.1 | 144.9 | -74.8 | 164.6 | 175.3 | 150.6 | 0 | 120.3 | ||||
| 654 | D | 31.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | cis | -171.5 | 152.9 | -28.3 | -132.3 | -30.5 | 0 | 0 | 0 | 112.1 | ||||
| 655 | F | 31.5 | Very low | 32.4 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 57.8 | 166.8 | 169.6 | -65 | -70.6 | 0 | 0 | 0 | 118 | ||||
| 656 | Q | 28.6 | Very low | 33.6 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | cis | -153.3 | 173.9 | 12.1 | -143.8 | 158.8 | 44 | 0 | 0 | 113.6 | ||||
| 657 | K | 31.3 | Very low | 33.8 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 79% | 0.787 | 74% | 0.743 | S | S | * | * | trans | -100 | -171.7 | 176.4 | -129.7 | -180 | 177.2 | 176.6 | 0 | 110 | ||||
| 658 | P | 48.8 | Very low | 33.9 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | cis | -143.6 | 173.8 | -8.6 | 37.4 | -14.6 | 0 | 0 | 0 | 119.5 | ||||
| 659 | L | 30.2 | Very low | 34 | Very low | 141 Ų | 141 | 135 Ų | 135 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | 33.4 | 122.8 | 146.7 | -78.4 | 84.3 | 0 | 0 | 0 | 125.5 | ||||
| 660 | S | 31 | Very low | 34.2 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | 29.6 | 169.6 | 122.3 | 75.6 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 661 | P | 53.9 | Low | 35.1 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | cis | -142.9 | -161.7 | 2.6 | 44.1 | -23.5 | 0 | 0 | 0 | 117 | ||||
| 662 | S | 27.3 | Very low | 35.1 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | 111.6 | 168.4 | 154.3 | 78.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 663 | A | 30.9 | Very low | 35.1 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -142.9 | -158.8 | -163.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 664 | P | 48 | Very low | 35.2 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | cis | -145.5 | 155 | -9.3 | 42.5 | -22.6 | 0 | 0 | 0 | 119.7 | ||||
| 665 | V | 31.1 | Very low | 35.2 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | 61.4 | 171.7 | 131.3 | 175.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 666 | P | 52.2 | Low | 35.3 | Very low | 101 Ų | 101 | 134 Ų | 134 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | cis | -128.4 | -166.8 | -26.5 | 37.8 | -17.9 | 0 | 0 | 0 | 117.6 | ||||
| 667 | K | 32.9 | Very low | 35.5 | Very low | 200 Ų | 200 | 131.9 Ų | 131.9 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | trans | 79.6 | 148.5 | 154.5 | -72.5 | 176.3 | -170.1 | -177.6 | 0 | 119.7 | ||||
| 668 | S | 30.6 | Very low | 35.5 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | cis | -170.1 | 157.6 | -8.8 | 177.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 669 | T | 29.9 | Very low | 34.8 | Very low | 121 Ų | 121 | 126 Ų | 126 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 70.6 | 103.7 | 149 | 31 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 670 | V | 31.7 | Very low | 35 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | 32.1 | 133.9 | 108.4 | -172 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 671 | P | 44.4 | Very low | 35.5 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | -159.4 | 156.8 | 62.7 | 42 | -19.5 | 0 | 0 | 0 | 123.2 | |||||
| 672 | T | 32.8 | Very low | 34.8 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 63.2 | 157.7 | 148.1 | 55.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 673 | K | 30.7 | Very low | 35.7 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | -159.3 | 151.4 | 4.6 | -135.2 | 177.8 | -175.8 | -177.6 | 0 | 114.1 | ||||
| 674 | S | 30.7 | Very low | 36 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | 57.1 | 118.8 | 147.5 | 58.6 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 675 | D | 30.8 | Very low | 35.5 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 87 | 122.9 | 133.4 | -93.2 | -48.1 | 0 | 0 | 0 | 125.5 | ||||
| 676 | R | 33.2 | Very low | 35.9 | Very low | 224 Ų | 224 | 135.4 Ų | 135.4 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | 41.5 | 125.7 | 145 | -70.7 | 168.6 | 178.1 | -132.1 | -4.3 | 119.4 | ||||
| 677 | T | 33.1 | Very low | 35 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | -169.4 | 143.7 | 52 | -54.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 678 | G | 31.9 | Very low | 35.2 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | 70.4 | 117.4 | 146.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 679 | G | 34.5 | Very low | 35.3 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | 170.9 | 122.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 680 | L | 33.3 | Very low | 35.9 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 98% | 0.979 | 80% | 0.796 | S | S | * | * | trans | -117.9 | 137.7 | 177.7 | -92.5 | 165.8 | 0 | 0 | 0 | 109.5 | ||||
| 681 | G | 41 | Very low | 35.8 | Very low | 71 Ų | 71 | 146.5 Ų | 146.5 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 106.7 | 90 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 682 | D | 38.6 | Very low | 35.8 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -151.2 | 140.2 | 154.6 | -108.4 | -31.6 | 0 | 0 | 0 | 108.9 | F684 | D682-F684 HydrophobicContact CB-CE2 3.97Š| ||
| 683 | E | 47.4 | Very low | 35.9 | Very low | 166 Ų | 166 | 148 Ų | 148 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -95.4 | 129.9 | -174.5 | -178.6 | -160.4 | 156 | 0 | 0 | 111 | ||||
| 684 | F | 36.1 | Very low | 36.4 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | trans | -139.2 | 114.3 | 171.4 | -72.5 | -69.4 | 0 | 0 | 0 | 114.8 | D682 I686 | D682-F684 HydrophobicContact CB-CE2 3.97Å; F684-I686 PolarHBondContact O-N 2.79Å | ||
| 685 | T | 37.7 | Very low | 36.7 | Very low | 115 Ų | 115 | 151 Ų | 151 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 123.5 | 165.3 | -71.4 | 0 | 0 | 0 | 0 | 111 | ||
| 686 | I | 39.7 | Very low | 37.3 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 124.9 | 173.4 | -61.2 | -179.9 | 0 | 0 | 0 | 110.2 | F684 | F684-I686 PolarHBondContact O-N 2.79Š|
| 687 | K | 33.2 | Very low | 37.9 | Very low | 192 Ų | 192 | 147.8 Ų | 147.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 128.3 | 177.8 | -71.2 | -179.7 | 176.9 | 176.2 | 0 | 111.5 | ||
| 688 | V | 37.8 | Very low | 38.4 | Very low | 132 Ų | 132 | 148 Ų | 148 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 142 | -178.9 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 689 | K | 32.5 | Very low | 39.7 | Very low | 209 Ų | 209 | 149.7 Ų | 149.7 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -141.5 | 87.5 | 154.6 | -106.2 | -170.5 | 179 | -175.6 | 0 | 113.4 | ||||
| 690 | K | 43 | Very low | 40.6 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 11.4 | 120.5 | 147.2 | -167 | 169.9 | -171.4 | 171.5 | 0 | 118 | V692 | K690-V692 HydrophobicContact CG-CG2 4.43Š| ||
| 691 | K | 29.2 | Very low | 41.4 | Very low | 172 Ų | 172 | 151.3 Ų | 151.3 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -104.5 | 156.3 | 140 | -166.3 | -169 | 170.2 | -133 | 0 | 107.4 | E693 | K691-E693 IonicContact NZ-OE1 3.36Å; K691-E693 PolarHBondContact NZ-OE1 3.36Å | ||
| 692 | V | 44.4 | Very low | 42 | Very low | 105 Ų | 105 | 151 Ų | 151 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | -98.1 | 130 | 176.2 | 176 | 0 | 0 | 0 | 0 | 109.7 | K690 | K690-V692 HydrophobicContact CG-CG2 4.43Š| ||
| 693 | E | 35.8 | Very low | 42.8 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -142.2 | 167 | 155.4 | -119.5 | 132.7 | -121 | 0 | 0 | 106.5 | K691 | K691-E693 IonicContact NZ-OE1 3.36Å; K691-E693 PolarHBondContact NZ-OE1 3.36Å | ||
| 694 | Q | 40.7 | Very low | 42.8 | Very low | 193 Ų | 193 | 151.3 Ų | 151.3 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -102.3 | 108 | -161.9 | -170.2 | 169.8 | -3.2 | 0 | 0 | 110.4 | ||||
| 695 | D | 36.5 | Very low | 43.8 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 133.2 | -178 | -103.2 | -32.8 | 0 | 0 | 0 | 111.6 | ||
| 696 | P | 43.8 | Very low | 44.2 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 150.3 | 163.6 | 33.2 | -33 | 0 | 0 | 0 | 110.4 | L698 | P696-L698 PolarHBondContact O-N 2.87Š|
| 697 | E | 46 | Very low | 44.3 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 94% | 0.939 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 126.5 | 176.6 | -63.8 | -175.8 | 132.3 | 0 | 0 | 110.8 | D699 | E697-D699 PolarHBondContact O-N 3.4Š|
| 698 | L | 43.8 | Very low | 45 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | -82.5 | 110 | 178.4 | -69.5 | 170.8 | 0 | 0 | 0 | 110.2 | P696 L700 | P696-L698 PolarHBondContact O-N 2.87Å; L698-L700 HydrophobicContact CB-CD1 3.8Å; L698-L700 PolarHBondContact O-N 3.09Å | ||
| 699 | D | 58.2 | Low | 45.1 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | trans | -66.8 | 95.7 | 163.8 | -178.2 | -6.8 | 0 | 0 | 0 | 109.4 | E697 F701 | E697-D699 PolarHBondContact O-N 3.4Å; D699-F701 PolarHBondContact O-N 3.19Å; D699-F701 VanDerWaalsContact O-N 3.11Å; D699-F701 PolarHBondContact OD1-N 3.26Å; D699-F701 VanDerWaalsContact OD1-N 3.08Å | ||
| 700 | L | 53.7 | Low | 45.5 | Very low | 141 Ų | 141 | 143 Ų | 143 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 4.8 | -176.1 | -111.2 | 86 | 0 | 0 | 0 | 114.6 | L698 | L698-L700 HydrophobicContact CB-CD1 3.8Å; L698-L700 PolarHBondContact O-N 3.09Å |
| 701 | F | 49.4 | Very low | 45 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | -3.9 | -178.4 | -68.8 | -79.4 | 0 | 0 | 0 | 114.9 | D699 D703 M704 | D699-F701 PolarHBondContact O-N 3.19Å; D699-F701 VanDerWaalsContact O-N 3.11Å; D699-F701 PolarHBondContact OD1-N 3.26Å; D699-F701 VanDerWaalsContact OD1-N 3.08Å; F701-D703 VanDerWaalsContact C-N 3.3Å; F701-D703 PolarHBondContact O-N 3.42Å; F701-M704 PolarHBondContact O-N 3.3Å |
| 702 | A | 54.6 | Low | 45.4 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 54% | 0.537 | 74% | 0.741 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.7 | -32.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 703 | D | 55.8 | Low | 44.8 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 6.2 | -175.5 | -77.9 | -30.8 | 0 | 0 | 0 | 114.6 | F701 V705 | F701-D703 VanDerWaalsContact C-N 3.3Å; F701-D703 PolarHBondContact O-N 3.42Å; D703-V705 VanDerWaalsContact C-N 3.32Å; D703-V705 PolarHBondContact O-N 3.21Å; D703-V705 VanDerWaalsContact O-N 3.1Å |
| 704 | M | 46.3 | Very low | 44.6 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 77% | 0.768 | 75% | 0.75 | S | S | * | * | trans | -87.5 | 56 | -177.1 | -80.1 | -75.8 | -73.1 | 0 | 0 | 113.6 | F701 | F701-M704 PolarHBondContact O-N 3.3Š| ||
| 705 | V | 57.9 | Low | 44.2 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | -105.7 | 121.3 | 173.7 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | D703 D707 | D703-V705 VanDerWaalsContact C-N 3.32Å; D703-V705 PolarHBondContact O-N 3.21Å; D703-V705 VanDerWaalsContact O-N 3.1Å; V705-D707 PolarHBondContact O-N 2.98Å | ||
| 706 | P | 46.8 | Very low | 43.9 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -74.7 | 116 | 178.6 | 29 | -33.3 | 0 | 0 | 0 | 112 | I708 | P706-I708 PolarHBondContact O-N 3.02Å; P706-I708 VanDerWaalsContact O-N 3.11Å | ||
| 707 | D | 40.5 | Very low | 43.4 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | -80.2 | 84.8 | 178.7 | -179.3 | 24 | 0 | 0 | 0 | 111.6 | V705 K709 | V705-D707 PolarHBondContact O-N 2.98Å; D707-K709 PolarHBondContact O-N 3.28Å; D707-K709 WeakPolarHBondContact OD2-CE 3.26Å; D707-K709 IonicContact OD2-NZ 3.8Å; D707-K709 PolarHBondContact OD2-NZ 3.16Å | ||
| 708 | I | 48.9 | Very low | 42.5 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -74.7 | 84.1 | -176 | -53.1 | 178.7 | 0 | 0 | 0 | 111.1 | P706 L710 | P706-I708 PolarHBondContact O-N 3.02Å; P706-I708 VanDerWaalsContact O-N 3.11Å; I708-L710 PolarHBondContact O-N 3.22Å | ||
| 709 | K | 39.2 | Very low | 41.9 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 67% | 0.665 | 76% | 0.757 | S | S | * | * | trans | -77.6 | 97.8 | 170.7 | -71.3 | -174.3 | 173.2 | 106.9 | 0 | 111.7 | D707 S711 | D707-K709 PolarHBondContact O-N 3.28Å; D707-K709 WeakPolarHBondContact OD2-CE 3.26Å; D707-K709 IonicContact OD2-NZ 3.8Å; D707-K709 PolarHBondContact OD2-NZ 3.16Å; K709-S711 PolarHBondContact O-N 3.12Å; K709-S711 PolarHBondContact O-OG 3.34Å | ||
| 710 | L | 41 | Very low | 40.4 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -53.9 | 110 | 167.8 | -69.7 | 174.3 | 0 | 0 | 0 | 110.1 | I708 | I708-L710 PolarHBondContact O-N 3.22Š| ||
| 711 | S | 33.3 | Very low | 39.3 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 140 | -179.9 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | K709 | K709-S711 PolarHBondContact O-N 3.12Å; K709-S711 PolarHBondContact O-OG 3.34Å |
| 712 | S | 36.2 | Very low | 38.2 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 151.4 | -161.6 | -50.8 | 0 | 0 | 0 | 0 | 115.9 | V714 | S712-V714 PolarHBondContact O-N 3.06Š|
| 713 | T | 33.3 | Very low | 37 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 130.8 | 165.6 | -45.9 | 0 | 0 | 0 | 0 | 112.2 | L715 | T713-L715 HydrophobicContact CG2-CG 4.32Š|
| 714 | V | 31.2 | Very low | 35.8 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -88.2 | 114.2 | 164.8 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | S712 | S712-V714 PolarHBondContact O-N 3.06Š| ||
| 715 | L | 31.5 | Very low | 35 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -104.1 | 137.6 | 165.3 | -77.4 | 169.8 | 0 | 0 | 0 | 109.3 | T713 | T713-L715 HydrophobicContact CG2-CG 4.32Š| ||
| 716 | L | 30.3 | Very low | 33.6 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -77.5 | 151.4 | 170 | -73.2 | 172.8 | 0 | 0 | 0 | 110.5 | ||||
| 717 | P | 33.6 | Very low | 32.7 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -80.5 | 148.4 | -169.2 | 32.2 | -36.1 | 0 | 0 | 0 | 113.2 | ||||
| 718 | L | 26.7 | Very low | 32.2 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -128.8 | 149.4 | 154.3 | -167.6 | 62.9 | 0 | 0 | 0 | 108.4 | ||||
| 719 | E | 30.5 | Very low | 31.2 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -72.4 | 144.7 | -174.1 | -55.7 | 174 | 96.6 | 0 | 0 | 112.4 | ||||
| 720 | E | 28.3 | Very low | 30.7 | Very low | 189 Ų | 189 | 137 Ų | 137 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | -164.9 | 109.2 | 122.9 | -110.6 | 179.3 | -174.7 | 0 | 0 | 114.9 | |||||
| 721 | R | 29.9 | Very low | 30.3 | Very low | 231 Ų | 231 | 134.8 Ų | 134.8 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | 33 | 102.1 | 134 | -155.2 | 177 | -157.9 | 157.8 | 5.3 | 120.1 | ||||
| 722 | S | 26.7 | Very low | 30.1 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -77.5 | 137.3 | 163.6 | 176.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 723 | V | 29.6 | Very low | 29.8 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | -140.7 | 100 | 163.3 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 724 | H | 29.6 | Very low | 29.6 | Very low | 167 Ų | 167 | 137 Ų | 137 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 32.5 | 132.2 | 139.1 | -83 | -71.1 | 0 | 0 | 0 | 124.1 | ||||
| 725 | V | 30.1 | Very low | 29.6 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | 93.6 | 93.2 | 133.6 | 174.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 726 | A | 29.1 | Very low | 29.5 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | 47.4 | 137.2 | 119.8 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 727 | G | 27.4 | Very low | 29.5 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 95.8 | 146.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 728 | T | 28.8 | Very low | 29.3 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | cis | -157.6 | 170.3 | -6.9 | -20.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 729 | S | 28 | Very low | 29.5 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -24.3 | 155.8 | 162.3 | 52.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 730 | A | 30.6 | Very low | 29.4 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | cis | 178.4 | -165.1 | -10.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 731 | V | 30.7 | Very low | 29.6 | Very low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 81.4 | 111 | 149.4 | 164.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 732 | F | 29.5 | Very low | 29.6 | Very low | 192 Ų | 192 | 123.4 Ų | 123.4 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | trans | 53.4 | -172.9 | 143.5 | -71.2 | -110.4 | 0 | 0 | 0 | 118 | ||||
| 733 | S | 30.5 | Very low | 30 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | -160.7 | 176.8 | -67.9 | 66.8 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 734 | D | 28.6 | Very low | 30.1 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | cis | -165.8 | 164.6 | 6.6 | -165.4 | 5.4 | 0 | 0 | 0 | 109.4 | ||||
| 735 | K | 32.7 | Very low | 30.1 | Very low | 161 Ų | 161 | 124 Ų | 124 | 70% | 0.7 | 74% | 0.736 | S | S | * | * | trans | 61.9 | 159.8 | 155.6 | -83.5 | 172.9 | -175.7 | 87 | 0 | 119.7 | ||||
| 736 | T | 28.6 | Very low | 30.1 | Very low | 112 Ų | 112 | 124 Ų | 124 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | cis | -167.2 | 179.6 | -27.1 | 19.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 737 | L | 30.5 | Very low | 30.1 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 71% | 0.707 | 73% | 0.729 | S | S | * | * | trans | 88.2 | 114.9 | 163.9 | -49.3 | -173.9 | 0 | 0 | 0 | 114.5 | ||||
| 738 | E | 29.3 | Very low | 30.3 | Very low | 168 Ų | 168 | 129 Ų | 129 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | 81.9 | 140.3 | 68.3 | -75.4 | 175.3 | -173.7 | 0 | 0 | 112.1 | |||||
| 739 | M | 30.4 | Very low | 30.5 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | cis | -158.7 | 157.3 | 17.7 | -166.6 | 140.3 | 163.7 | 0 | 0 | 112.8 | ||||
| 740 | D | 28.7 | Very low | 30.6 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 56.1 | 156 | 154.9 | -72.9 | -5.5 | 0 | 0 | 0 | 121.8 | ||||
| 741 | S | 32.5 | Very low | 30.7 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -173.1 | 167.5 | -22.7 | 61.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 742 | A | 30.8 | Very low | 30.7 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | cis | -133 | -151.9 | -6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 743 | I | 34.9 | Very low | 30.7 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | cis | -138.4 | 161.8 | 23.7 | -80.2 | 173.4 | 0 | 0 | 0 | 109.2 | ||||
| 744 | D | 31.4 | Very low | 30.7 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -92 | 172.6 | -166.2 | -144.2 | -33 | 0 | 0 | 0 | 116.1 | ||||
| 745 | T | 28.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | -31.5 | 156 | 168.9 | 49.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 746 | V | 30.4 | Very low | 30.7 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | -160.4 | 130.9 | 74.2 | 154.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 747 | T | 29.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | -8 | 143.5 | 143.6 | -15.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 748 | L | 31.9 | Very low | 31.4 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | 176.6 | 118.6 | 115.9 | -97.2 | 166.8 | 0 | 0 | 0 | 114.2 | |||||
| 749 | T | 33.1 | Very low | 31.5 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -99.6 | 112.4 | 161.2 | 16.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 750 | A | 30.5 | Very low | 31.5 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | 173.5 | 124.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 751 | K | 30.8 | Very low | 31.6 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | 174.5 | 141.6 | 154.9 | -99.6 | 158.3 | -172.7 | 177.3 | 0 | 106.9 | ||||
| 752 | F | 30.9 | Very low | 31.5 | Very low | 199 Ų | 199 | 133.4 Ų | 133.4 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | cis | -127.8 | 149.4 | 13.9 | -73.4 | -100.6 | 0 | 0 | 0 | 112.6 | ||||
| 753 | A | 29.7 | Very low | 31.5 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -151.3 | 133.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 754 | A | 30.8 | Very low | 31.3 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -171.2 | 147.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 755 | A | 31.8 | Very low | 31.4 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | cis | -159.3 | 151.9 | -16.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 756 | N | 30.2 | Very low | 31.5 | Very low | 165 Ų | 165 | 136 Ų | 136 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -94 | 142.9 | 176.8 | -70.3 | -4 | 0 | 0 | 0 | 111.9 | ||||
| 757 | P | 41.7 | Very low | 31.7 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -89.7 | 127.6 | 161.5 | 33.5 | -28.9 | 0 | 0 | 0 | 111.8 | ||||
| 758 | S | 31.5 | Very low | 31.9 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | 10.3 | 118.6 | 158.6 | 56.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 759 | E | 31.4 | Very low | 31.9 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | trans | -72 | 159.9 | 152.5 | -65.3 | 174.1 | 127 | 0 | 0 | 111.3 | ||||
| 760 | A | 30.2 | Very low | 32.2 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -138.3 | 145.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 761 | E | 31.6 | Very low | 32.3 | Very low | 198 Ų | 198 | 140 Ų | 140 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -75.1 | 144.7 | -169.6 | -55 | 166.1 | 128.5 | 0 | 0 | 112.9 | ||||
| 762 | A | 29.8 | Very low | 32.5 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | 171.7 | 144.5 | 112.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 763 | D | 30.4 | Very low | 32.7 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | 52.6 | 140.5 | 152.7 | -61.5 | -28.4 | 0 | 0 | 0 | 122.2 | ||||
| 764 | G | 30.7 | Very low | 32.7 | Very low | 58 Ų | 58 | 140.7 Ų | 140.7 | 60% | 0.598 | 81% | 0.811 | S | S | * | * | trans | -118.4 | -129.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 765 | W | 34.1 | Very low | 33 | Very low | 269 Ų | 269 | 143 Ų | 143 | 100% | 1.019 | 81% | 0.809 | S | S | * | * | trans | 68.5 | 139.4 | -164.2 | -46.6 | 87 | 0 | 0 | 0 | 112.6 | ||||
| 766 | G | 29.7 | Very low | 33 | Very low | 72 Ų | 72 | 146.8 Ų | 146.8 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | cis | -164.3 | 176.9 | -2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 767 | D | 36.3 | Very low | 33.3 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | trans | -83.7 | 148.7 | 176.1 | -167.7 | 12.7 | 0 | 0 | 0 | 110.5 | ||||
| 768 | G | 32.6 | Very low | 32.9 | Very low | 57 Ų | 57 | 143.9 Ų | 143.9 | 59% | 0.588 | 80% | 0.8 | S | S | * | * | trans | 150 | 106.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 769 | D | 32.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | 67.6 | 153.5 | 140.9 | -61.7 | -10.2 | 0 | 0 | 0 | 123.5 | ||||
| 770 | D | 39.3 | Very low | 33.2 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -53.4 | 159.8 | 179 | -60.5 | -60.3 | 0 | 0 | 0 | 115.3 | ||||
| 771 | L | 32.8 | Very low | 33.3 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | -164.3 | 120.5 | 124.1 | -106.6 | 176 | 0 | 0 | 0 | 112.5 | |||||
| 772 | N | 34.4 | Very low | 33.4 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 68% | 0.684 | 81% | 0.808 | S | S | * | * | trans | -95.3 | 130.1 | 167.9 | 169.2 | 90.5 | 0 | 0 | 0 | 110 | ||||
| 773 | W | 34.6 | Very low | 33.6 | Very low | 218 Ų | 218 | 156 Ų | 156 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -141.7 | 140 | 163 | -80.9 | 109.2 | 0 | 0 | 0 | 112.5 | ||||
| 774 | E | 31.1 | Very low | 33.8 | Very low | 159 Ų | 159 | 155.6 Ų | 155.6 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -86.4 | 179.8 | 173.1 | -62 | 169.2 | 128.3 | 0 | 0 | 110.5 | ||||
| 775 | D | 35.3 | Very low | 34 | Very low | 153 Ų | 153 | 162.1 Ų | 162.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | 7.5 | 130.1 | 161 | -64 | -20.7 | 0 | 0 | 0 | 119.8 | ||||
| 776 | E | 33.1 | Very low | 34 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | -167.8 | 164.3 | 99.7 | -100.5 | -130 | 88.9 | 0 | 0 | 114.9 | |||||
| 777 | N | 35 | Very low | 34.4 | Very low | 139 Ų | 139 | 160.8 Ų | 160.8 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | trans | -51.6 | 145.2 | 174.1 | -55.2 | -83.3 | 0 | 0 | 0 | 114.7 | ||||
| 778 | A | 34 | Very low | 34.2 | Very low | 82 Ų | 82 | 159.3 Ų | 159.3 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | 175 | 152.9 | 110.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 779 | W | 35.5 | Very low | 34.3 | Very low | 331 Ų | 331 | 168.5 Ų | 168.5 | 100% | 1.254 | 82% | 0.823 | S | S | * | * | trans | 75.5 | 0 | 174.4 | -58.1 | 82.8 | 0 | 0 | 0 | 116.7 |
Retrieved 779 of 779 residues in 1160.5 ms
(Link to these results)