| 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 | 37.7 | Very low | 67.3 | Low | 152 Ų | 152 | 67.2 Ų | 67.2 | 75% | 0.749 | 39% | 0.392 | S | S | * | . | 0 | 107.9 | 0 | -74.6 | -179.8 | 174.9 | 0 | 0 | 107.1 | Q158 Q159 | M1-Q158 PolarHBondContact N-O 3.42Å; M1-Q159 PolarHBondContact N-O 3.02Å | |||
| 2 | S | 46.6 | Very low | 67.4 | Low | 37 Ų | 37 | 72.6 Ų | 72.6 | 26% | 0.259 | 41% | 0.411 | S | S | . | . | trans | -62 | 145.5 | 166.7 | 51.3 | 0 | 0 | 0 | 0 | 109.8 | C4 V10 E151 | S2-C4 PolarHBondContact O-N 3.31Å; S2-C4 VanDerWaalsContact O-N 3.11Å; S2-V10 VanDerWaalsContact CB-CG2 3.49Å; S2-E151 WeakPolarHBondContact CA-OE1 3.36Å | ||
| 3 | H | 61 | Low | 67.6 | Low | 82 Ų | 82 | 70.4 Ų | 70.4 | 38% | 0.38 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -75.8 | 13.7 | 168.2 | -78.4 | 62 | 0 | 0 | 0 | 112.6 | R149 E151 P152 Q154 | H3-R149 PolarHBondContact O-NH2 2.84Å; H3-E151 HydrophobicContact CB-CG 4.15Å; H3-E151 PolarHBondContact N-OE1 3.42Å; H3-P152 HydrophobicContact CB-CB 4.19Å; H3-P152 HydrophobicContact CB-CG 3.85Å; H3-Q154 PolarHBondContact CE1-O 2.88Å; H3-Q154 PolarHBondContact NE2-O 3.31Å |
| 4 | C | 68 | Low | 68.4 | Low | 12 Ų | 12 | 65.6 Ų | 65.6 | 8% | 0.081 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -76.5 | 138.5 | 166.8 | -47.2 | 0 | 0 | 0 | 0 | 109.6 | S2 E8 V10 C15 | S2-C4 PolarHBondContact O-N 3.31Å; S2-C4 VanDerWaalsContact O-N 3.11Å; C4-E8 WeakPolarHBondContact CA-OE2 3.42Å; C4-E8 HydrophobicContact CB-CB 3.77Å; C4-E8 WeakPolarHBondContact CB-OE2 3.35Å; C4-V10 HydrophobicContact CB-CG2 4Å; C4-V10 WeakPolarHBondContact SG-CG2 3.48Å; C4-C15 WeakPolarHBondContact CA-SG 3.34Å; C4-C15 HydrophobicContact CB-CB 3.61Å; C4-C15 WeakPolarHBondContact CB-SG 3.28Å; C4-C15 WeakPolarHBondContact SG-CA 3.33Å; C4-C15 WeakPolarHBondContact SG-CB 3.41Å; C4-C15 CovalentContact SG-SG 2.02Å; C4-C15 PolarHBondContact SG-SG 3.41Å |
| 5 | D | 74.1 | Confident | 69.5 | Low | 95 Ų | 95 | 61.3 Ų | 61.3 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | trans | -60.5 | 155.6 | 176.9 | -69.8 | -31.3 | 0 | 0 | 0 | 110 | D7 E8 | D5-D7 PolarHBondContact O-N 3.28Å; D5-E8 HydrophobicContact CB-CG 4.02Å; D5-E8 PolarHBondContact N-OE2 3.43Å; D5-E8 WeakPolarHBondContact O-CB 3.43Å; D5-E8 PolarHBondContact O-N 3.35Å | ||
| 6 | G | 68.1 | Low | 70.8 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 97% | 0.969 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 7 | D | 72.2 | Confident | 72 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 8.7 | 174.7 | 65.2 | -9.4 | 0 | 0 | 0 | 114 | D5 K17 | D5-D7 PolarHBondContact O-N 3.28Å; D7-K17 VanDerWaalsContact CG-CE 3.45Å; D7-K17 WeakPolarHBondContact OD1-CE 3.35Å; D7-K17 IonicContact OD1-NZ 3.77Å; D7-K17 PolarHBondContact OD1-NZ 3.34Å; D7-K17 WeakPolarHBondContact OD2-CE 3.34Å; D7-K17 IonicContact OD2-NZ 2.76Å; D7-K17 PolarHBondContact OD2-NZ 3.36Å |
| 8 | E | 83 | Confident | 73 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 15% | 0.15 | 31% | 0.313 | C | S | . | . | trans | -97.7 | 155.4 | 174.4 | -62.3 | -175.5 | 145.1 | 0 | 0 | 111.9 | C4 D5 C15 Y16 K17 R149 | C4-E8 WeakPolarHBondContact CA-OE2 3.42Å; C4-E8 HydrophobicContact CB-CB 3.77Å; C4-E8 WeakPolarHBondContact CB-OE2 3.35Å; D5-E8 HydrophobicContact CB-CG 4.02Å; D5-E8 PolarHBondContact N-OE2 3.43Å; D5-E8 WeakPolarHBondContact O-CB 3.43Å; D5-E8 PolarHBondContact O-N 3.35Å; E8-C15 HydrophobicContact CB-CB 4.5Å; E8-C15 WeakPolarHBondContact OE2-CB 3.06Å; E8-Y16 CarbonylContact C-O 3.55Å; E8-Y16 WeakPolarHBondContact CA-O 3.33Å; E8-K17 HydrophobicContact CG-CB 4.06Å; E8-K17 HydrophobicContact CG-CD 3.88Å; E8-K17 HydrophobicContact CG-CG 4.36Å; E8-R149 IonicContact OE1-CZ 3.07Å; E8-R149 IonicContact OE1-NE 2.89Å; E8-R149 PolarHBondContact OE1-NE 3.32Å; E8-R149 IonicContact OE1-NH2 2.87Å; E8-R149 IonicContact OE2-CZ 2.83Å; E8-R149 IonicContact OE2-NE 3.59Å; E8-R149 PolarHBondContact OE2-NE 3.43Å; E8-R149 IonicContact OE2-NH2 2.85Å; E8-R149 PolarHBondContact OE2-NH2 3.47Å | ||
| 9 | F | 81.1 | Confident | 73.8 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 144.2 | 176.1 | -58.8 | -86.7 | 0 | 0 | 0 | 110 | C15 Y16 F50 I54 K57 | F9-C15 CarbonylContact O-C 3.44Å; F9-Y16 PolarHBondContact N-O 3.44Å; F9-Y16 WeakPolarHBondContact O-CD2 3.27Å; F9-Y16 PolarHBondContact O-N 3.1Å; F9-F50 HydrophobicContact CB-CE2 4.43Å; F9-F50 HydrophobicContact CB-CZ 3.71Å; F9-I54 HydrophobicContact CB-CG2 4.03Å; F9-I54 HydrophobicContact CD1-CB 4.44Å; F9-I54 HydrophobicContact CD1-CG2 3.71Å; F9-I54 HydrophobicContact CD2-CB 4.09Å; F9-I54 HydrophobicContact CD2-CD1 4.38Å; F9-I54 HydrophobicContact CD2-CG2 4.05Å; F9-I54 HydrophobicContact CE1-CG2 4.15Å; F9-I54 HydrophobicContact CE2-CB 4.2Å; F9-I54 HydrophobicContact CE2-CG2 4.46Å; F9-I54 HydrophobicContact CG-CB 4.22Å; F9-I54 HydrophobicContact CG-CG2 3.66Å; F9-I54 HydrophobicContact CZ-CB 4.42Å; F9-K57 HydrophobicContact CE1-CD 4.32Å |
| 10 | V | 75.8 | Confident | 74.3 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.4 | -175.7 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | S2 C4 G14 | S2-V10 VanDerWaalsContact CB-CG2 3.49Å; C4-V10 HydrophobicContact CB-CG2 4Å; C4-V10 WeakPolarHBondContact SG-CG2 3.48Å; V10-G14 WeakPolarHBondContact CA-O 3.41Å |
| 11 | H | 72.5 | Confident | 74.8 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 19% | 0.185 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 130.2 | 174.1 | -175.4 | 75.6 | 0 | 0 | 0 | 111.4 | G13 G14 Y16 F50 | H11-G13 VanDerWaalsContact C-N 3.27Å; H11-G13 PolarHBondContact O-N 3.38Å; H11-G13 VanDerWaalsContact O-N 3.15Å; H11-G14 PolarHBondContact N-O 3.42Å; H11-G14 PolarHBondContact O-N 3.21Å; H11-Y16 HydrophobicContact CB-CD2 4.16Å; H11-Y16 HydrophobicContact CB-CE2 3.72Å; H11-Y16 WeakPolarHBondContact O-CE2 3.38Å; H11-F50 HydrophobicContact CB-CD1 3.52Å; H11-F50 HydrophobicContact CB-CD2 3.94Å; H11-F50 HydrophobicContact CB-CE1 3.33Å; H11-F50 HydrophobicContact CB-CE2 3.76Å; H11-F50 HydrophobicContact CB-CG 3.82Å; H11-F50 HydrophobicContact CB-CZ 3.45Å; H11-F50 VanDerWaalsContact CB-CZ 3.45Å; H11-F50 AromaticContact CD2-CD1 3.82Å; H11-F50 AromaticContact CD2-CG 3.96Å; H11-F50 AromaticContact CG-CD1 3.59Å; H11-F50 AromaticContact CG-CD2 3.93Å; H11-F50 AromaticContact CG-CE1 3.97Å; H11-F50 AromaticContact CG-CG 3.57Å; H11-F50 AromaticContact ND1-CD2 3.78Å; H11-F50 AromaticContact ND1-CG 3.66Å |
| 12 | E | 69.1 | Low | 77.3 | Confident | 132 Ų | 132 | 51.7 Ų | 51.7 | 62% | 0.617 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 42.8 | 177.3 | -63.6 | -170.5 | 154.8 | 0 | 0 | 114.8 | G14 | E12-G14 VanDerWaalsContact C-N 3.27Å; E12-G14 PolarHBondContact O-N 2.77Å |
| 13 | G | 69.9 | Low | 79.6 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 45% | 0.454 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 10.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | H11 E151 | H11-G13 VanDerWaalsContact C-N 3.27Å; H11-G13 PolarHBondContact O-N 3.38Å; H11-G13 VanDerWaalsContact O-N 3.15Å; G13-E151 WeakPolarHBondContact O-CB 3.03Å; G13-E151 PolarHBondContact O-N 3.12Å |
| 14 | G | 79.2 | Confident | 81.2 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V10 H11 E12 Y16 R149 | V10-G14 WeakPolarHBondContact CA-O 3.41Å; H11-G14 PolarHBondContact N-O 3.42Å; H11-G14 PolarHBondContact O-N 3.21Å; E12-G14 VanDerWaalsContact C-N 3.27Å; E12-G14 PolarHBondContact O-N 2.77Å; G14-Y16 WeakPolarHBondContact O-CD2 3.33Å; G14-Y16 WeakPolarHBondContact O-CE2 3.5Å; G14-R149 WeakPolarHBondContact CA-O 3.26Å |
| 15 | C | 85 | Confident | 82.5 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.5 | 169.5 | -55.6 | 0 | 0 | 0 | 0 | 109.8 | C4 E8 F9 E148 R149 | C4-C15 WeakPolarHBondContact CA-SG 3.34Å; C4-C15 HydrophobicContact CB-CB 3.61Å; C4-C15 WeakPolarHBondContact CB-SG 3.28Å; C4-C15 WeakPolarHBondContact SG-CA 3.33Å; C4-C15 WeakPolarHBondContact SG-CB 3.41Å; C4-C15 CovalentContact SG-SG 2.02Å; C4-C15 PolarHBondContact SG-SG 3.41Å; E8-C15 HydrophobicContact CB-CB 4.5Å; E8-C15 WeakPolarHBondContact OE2-CB 3.06Å; F9-C15 CarbonylContact O-C 3.44Å; C15-E148 WeakPolarHBondContact O-CA 3.19Å; C15-R149 HydrophobicContact CB-CG 3.77Å; C15-R149 PolarHBondContact N-O 2.88Å; C15-R149 PolarHBondContact O-N 3.43Å |
| 16 | Y | 89.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.5 | -174.7 | -61 | -95 | 0 | 0 | 0 | 111.5 | E8 F9 H11 G14 A40 K47 F50 I146 C147 E148 | E8-Y16 CarbonylContact C-O 3.55Å; E8-Y16 WeakPolarHBondContact CA-O 3.33Å; F9-Y16 PolarHBondContact N-O 3.44Å; F9-Y16 WeakPolarHBondContact O-CD2 3.27Å; F9-Y16 PolarHBondContact O-N 3.1Å; H11-Y16 HydrophobicContact CB-CD2 4.16Å; H11-Y16 HydrophobicContact CB-CE2 3.72Å; H11-Y16 WeakPolarHBondContact O-CE2 3.38Å; G14-Y16 WeakPolarHBondContact O-CD2 3.33Å; G14-Y16 WeakPolarHBondContact O-CE2 3.5Å; Y16-A40 HydrophobicContact CD1-CB 4.29Å; Y16-A40 HydrophobicContact CE1-CB 4.32Å; Y16-K47 VanDerWaalsContact CE1-CE 3.5Å; Y16-K47 WeakPolarHBondContact OH-CE 3.4Å; Y16-K47 PolarHBondContact OH-NZ 3.3Å; Y16-F50 HydrophobicContact CD1-CE1 4.44Å; Y16-F50 AromaticContact CD2-CE1 3.63Å; Y16-F50 HydrophobicContact CD2-CE1 3.63Å; Y16-F50 HydrophobicContact CD2-CZ 4.19Å; Y16-F50 HydrophobicContact CE2-CE1 4.08Å; Y16-F50 AromaticContact CG-CE1 3.84Å; Y16-F50 HydrophobicContact CG-CE1 3.84Å; Y16-I146 HydrophobicContact CD1-CD1 4.38Å; Y16-C147 CarbonylContact C-O 3.58Å; Y16-C147 VanDerWaalsContact CA-O 3.27Å; Y16-C147 WeakPolarHBondContact CA-O 3.2Å; Y16-E148 HydrophobicContact CD1-CB 3.98Å; Y16-E148 HydrophobicContact CD1-CG 4.12Å; Y16-E148 HydrophobicContact CE1-CB 3.85Å; Y16-E148 HydrophobicContact CE1-CG 3.57Å; Y16-E148 PolarHBondContact OH-OE1 2.85Å |
| 17 | K | 90.5 | Very high | 84.6 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 124 | 178.2 | -166.1 | 158.8 | 167.9 | 163.7 | 0 | 111.2 | D7 E8 F19 I146 C147 | D7-K17 VanDerWaalsContact CG-CE 3.45Å; D7-K17 WeakPolarHBondContact OD1-CE 3.35Å; D7-K17 IonicContact OD1-NZ 3.77Å; D7-K17 PolarHBondContact OD1-NZ 3.34Å; D7-K17 WeakPolarHBondContact OD2-CE 3.34Å; D7-K17 IonicContact OD2-NZ 2.76Å; D7-K17 PolarHBondContact OD2-NZ 3.36Å; E8-K17 HydrophobicContact CG-CB 4.06Å; E8-K17 HydrophobicContact CG-CD 3.88Å; E8-K17 HydrophobicContact CG-CG 4.36Å; K17-F19 HydrophobicContact CB-CD2 4.45Å; K17-F19 HydrophobicContact CB-CE2 3.79Å; K17-F19 HydrophobicContact CB-CZ 4.28Å; K17-F19 HydrophobicContact CD-CE1 4.25Å; K17-F19 HydrophobicContact CD-CE2 3.97Å; K17-F19 HydrophobicContact CD-CZ 3.59Å; K17-F19 HydrophobicContact CG-CD2 4.27Å; K17-F19 HydrophobicContact CG-CE1 4.45Å; K17-F19 HydrophobicContact CG-CE2 3.69Å; K17-F19 HydrophobicContact CG-CZ 3.8Å; K17-I146 WeakPolarHBondContact O-CA 3.03Å; K17-C147 PolarHBondContact N-O 3.47Å; K17-C147 PolarHBondContact O-N 3.07Å |
| 18 | L | 89.7 | Confident | 85.6 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 127.8 | 171.5 | -168.7 | 74.7 | 0 | 0 | 0 | 110 | T55 H58 V59 V75 I146 | L18-T55 HydrophobicContact CD2-CG2 4.13Å; L18-H58 HydrophobicContact CD2-CB 3.52Å; L18-V59 HydrophobicContact CD2-CG2 4.44Å; L18-V75 HydrophobicContact CD1-CG1 3.6Å; L18-V75 HydrophobicContact CD1-CG2 4.14Å; L18-I146 HydrophobicContact CD1-CB 3.9Å |
| 19 | F | 89.5 | Confident | 86.1 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 112.2 | 174.5 | -68.6 | -89.9 | 0 | 0 | 0 | 109.7 | K17 T21 M144 H145 C147 | K17-F19 HydrophobicContact CB-CD2 4.45Å; K17-F19 HydrophobicContact CB-CE2 3.79Å; K17-F19 HydrophobicContact CB-CZ 4.28Å; K17-F19 HydrophobicContact CD-CE1 4.25Å; K17-F19 HydrophobicContact CD-CE2 3.97Å; K17-F19 HydrophobicContact CD-CZ 3.59Å; K17-F19 HydrophobicContact CG-CD2 4.27Å; K17-F19 HydrophobicContact CG-CE1 4.45Å; K17-F19 HydrophobicContact CG-CE2 3.69Å; K17-F19 HydrophobicContact CG-CZ 3.8Å; F19-T21 PolarHBondContact O-N 3.05Å; F19-M144 WeakPolarHBondContact O-CB 3.49Å; F19-H145 AromaticContact CD2-CD2 3.87Å; F19-H145 AromaticContact CD2-NE2 3.84Å; F19-H145 AromaticContact CG-NE2 3.7Å; F19-H145 PolarHBondContact N-O 3.01Å; F19-H145 PolarHBondContact O-N 3.21Å; F19-C147 HydrophobicContact CE2-CB 4.04Å; F19-C147 WeakPolarHBondContact CE2-SG 3.48Å |
| 20 | G | 83 | Confident | 86.5 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 43% | 0.433 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -10.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K22 | G20-K22 PolarHBondContact O-N 3.44Å |
| 21 | T | 85 | Confident | 87.3 | Confident | 94 Ų | 94 | 44.4 Ų | 44.4 | 58% | 0.577 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 118.2 | 176 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | F19 S23 | F19-T21 PolarHBondContact O-N 3.05Å; T21-S23 PolarHBondContact O-N 3.35Å |
| 22 | K | 90.1 | Very high | 88.3 | Confident | 108 Ų | 108 | 42.5 Ų | 42.5 | 47% | 0.47 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 123.7 | 178.9 | -61.9 | -172.8 | 177.8 | -174.3 | 0 | 111.5 | G20 K142 A143 M144 | G20-K22 PolarHBondContact O-N 3.44Å; K22-K142 HydrophobicContact CB-CB 3.99Å; K22-A143 CarbonylContact C-O 3.57Å; K22-A143 VanDerWaalsContact CA-O 3.3Å; K22-A143 WeakPolarHBondContact CA-O 3.31Å; K22-M144 HydrophobicContact CG-CG 4.48Å |
| 23 | S | 93.9 | Very high | 89.2 | Confident | 13 Ų | 13 | 39.5 Ų | 39.5 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 165.2 | 179.4 | 61.3 | 0 | 0 | 0 | 0 | 111.1 | T21 E27 A28 W76 K142 A143 H145 | T21-S23 PolarHBondContact O-N 3.35Å; S23-E27 WeakPolarHBondContact CA-OE2 3.28Å; S23-E27 WeakPolarHBondContact CB-OE2 3.22Å; S23-A28 WeakPolarHBondContact OG-CB 3.05Å; S23-A28 PolarHBondContact OG-N 3.31Å; S23-W76 PolarHBondContact O-NE1 3.43Å; S23-W76 VanDerWaalsContact O-NE1 3.07Å; S23-K142 WeakPolarHBondContact O-CA 3.43Å; S23-A143 PolarHBondContact N-O 3.28Å; S23-A143 PolarHBondContact O-N 3.07Å; S23-H145 PolarHBondContact OG-ND1 2.77Å |
| 24 | T | 95.8 | Very high | 90 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 15% | 0.153 | 23% | 0.233 | C | C | . | . | trans | -65.4 | 165.3 | 172.2 | 70.1 | 0 | 0 | 0 | 0 | 110.7 | D26 E27 A28 C139 S140 | T24-D26 VanDerWaalsContact C-N 3.33Å; T24-D26 PolarHBondContact O-N 3.44Å; T24-E27 PolarHBondContact N-OE2 3.43Å; T24-E27 PolarHBondContact O-N 2.74Å; T24-E27 WeakPolarHBondContact OG1-CB 3.41Å; T24-E27 VanDerWaalsContact OG1-CD 3.32Å; T24-E27 WeakPolarHBondContact OG1-CG 3.28Å; T24-E27 PolarHBondContact OG1-N 2.68Å; T24-A28 VanDerWaalsContact O-CB 3.23Å; T24-A28 WeakPolarHBondContact O-CB 2.94Å; T24-A28 PolarHBondContact O-N 2.75Å; T24-C139 WeakPolarHBondContact CB-O 3.47Å; T24-S140 WeakPolarHBondContact CG2-O 3.4Å | ||
| 25 | W | 94.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | -179.7 | -172.9 | 92.8 | 0 | 0 | 0 | 111.7 | A28 R29 L39 W76 I77 K80 V93 C122 C139 | W25-A28 WeakPolarHBondContact O-CB 3.31Å; W25-A28 PolarHBondContact O-N 3.09Å; W25-R29 HydrophobicContact CZ3-CB 4.45Å; W25-R29 WeakPolarHBondContact O-CB 3.19Å; W25-R29 PolarHBondContact O-N 3.06Å; W25-L39 HydrophobicContact CD2-CD1 4.16Å; W25-L39 HydrophobicContact CG-CD1 4.45Å; W25-L39 HydrophobicContact CZ2-CD1 3.87Å; W25-W76 HydrophobicContact CB-CD2 4.02Å; W25-W76 HydrophobicContact CB-CE3 4.35Å; W25-W76 HydrophobicContact CB-CG 4.41Å; W25-W76 HydrophobicContact CB-CH2 4.48Å; W25-W76 HydrophobicContact CB-CZ2 4.14Å; W25-W76 AromaticContact CD1-CD2 3.66Å; W25-W76 AromaticContact CD1-CE3 3.49Å; W25-W76 VanDerWaalsContact CD1-CE3 3.49Å; W25-W76 AromaticContact CD1-CG 3.94Å; W25-W76 HydrophobicContact CG-CD2 4.26Å; W25-W76 HydrophobicContact CG-CE3 4.31Å; W25-I77 PolarHBondContact NE1-O 3.21Å; W25-K80 HydrophobicContact CE3-CD 4.18Å; W25-K80 HydrophobicContact CH2-CB 4.38Å; W25-K80 HydrophobicContact CH2-CD 3.78Å; W25-K80 HydrophobicContact CZ2-CB 4.2Å; W25-K80 HydrophobicContact CZ2-CD 4.29Å; W25-K80 HydrophobicContact CZ3-CD 3.72Å; W25-V93 HydrophobicContact CH2-CG2 3.95Å; W25-V93 HydrophobicContact CZ2-CG2 4.15Å; W25-C122 HydrophobicContact CB-CB 3.9Å; W25-C122 VanDerWaalsContact CB-SG 3.59Å; W25-C122 HydrophobicContact CD2-CB 4.25Å; W25-C122 VanDerWaalsContact CD2-SG 3.54Å; W25-C122 HydrophobicContact CG-CB 3.62Å; W25-C139 HydrophobicContact CB-CB 4.31Å; W25-C139 PolarHBondContact N-O 3.04Å |
| 26 | D | 91.7 | Very high | 90.2 | Very high | 73 Ų | 73 | 59.5 Ų | 59.5 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 178.4 | -65.9 | -48.8 | 0 | 0 | 0 | 111.6 | T24 R29 H30 K80 | T24-D26 VanDerWaalsContact C-N 3.33Å; T24-D26 PolarHBondContact O-N 3.44Å; D26-R29 PolarHBondContact O-N 3.39Å; D26-H30 PolarHBondContact O-N 2.92Å; D26-H30 PolarHBondContact O-ND1 3.03Å; D26-K80 IonicContact OD1-NZ 3.51Å; D26-K80 PolarHBondContact OD1-NZ 3.05Å |
| 27 | E | 94.9 | Very high | 90.1 | Very high | 98 Ų | 98 | 59.7 Ų | 59.7 | 46% | 0.458 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 173.4 | -74 | 168.8 | 177.6 | 0 | 0 | 112.1 | S23 T24 R29 H30 S31 | S23-E27 WeakPolarHBondContact CA-OE2 3.28Å; S23-E27 WeakPolarHBondContact CB-OE2 3.22Å; T24-E27 PolarHBondContact N-OE2 3.43Å; T24-E27 PolarHBondContact O-N 2.74Å; T24-E27 WeakPolarHBondContact OG1-CB 3.41Å; T24-E27 VanDerWaalsContact OG1-CD 3.32Å; T24-E27 WeakPolarHBondContact OG1-CG 3.28Å; T24-E27 PolarHBondContact OG1-N 2.68Å; E27-R29 VanDerWaalsContact C-N 3.35Å; E27-H30 PolarHBondContact O-N 3.37Å; E27-S31 WeakPolarHBondContact O-CB 3.32Å; E27-S31 PolarHBondContact O-N 3.47Å |
| 28 | A | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S23 T24 W25 S31 C32 L39 H145 | S23-A28 WeakPolarHBondContact OG-CB 3.05Å; S23-A28 PolarHBondContact OG-N 3.31Å; T24-A28 VanDerWaalsContact O-CB 3.23Å; T24-A28 WeakPolarHBondContact O-CB 2.94Å; T24-A28 PolarHBondContact O-N 2.75Å; W25-A28 WeakPolarHBondContact O-CB 3.31Å; W25-A28 PolarHBondContact O-N 3.09Å; A28-S31 WeakPolarHBondContact O-CA 3.25Å; A28-S31 VanDerWaalsContact O-CB 3.22Å; A28-S31 WeakPolarHBondContact O-CB 3.2Å; A28-S31 PolarHBondContact O-N 3.33Å; A28-C32 PolarHBondContact O-N 3.46Å; A28-C32 PolarHBondContact O-SG 2.89Å; A28-C32 VanDerWaalsContact O-SG 3.41Å; A28-L39 HydrophobicContact CB-CD2 4.3Å; A28-H145 HydrophobicContact CB-CB 3.54Å |
| 29 | R | 92.5 | Very high | 90.3 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 19% | 0.185 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 177.1 | -166 | 173.3 | -174.6 | -150 | -2.3 | 112.3 | W25 D26 E27 S31 C32 I33 D38 L39 V93 R94 | W25-R29 HydrophobicContact CZ3-CB 4.45Å; W25-R29 WeakPolarHBondContact O-CB 3.19Å; W25-R29 PolarHBondContact O-N 3.06Å; D26-R29 PolarHBondContact O-N 3.39Å; E27-R29 VanDerWaalsContact C-N 3.35Å; R29-S31 PolarHBondContact O-N 3.13Å; R29-C32 PolarHBondContact O-N 3.41Å; R29-C32 VanDerWaalsContact O-N 3.08Å; R29-I33 HydrophobicContact CG-CD1 3.9Å; R29-I33 HydrophobicContact CG-CG1 4.4Å; R29-I33 WeakPolarHBondContact O-CG1 3.3Å; R29-I33 PolarHBondContact O-N 3.33Å; R29-D38 WeakPolarHBondContact CG-OD1 3.23Å; R29-D38 IonicContact CZ-OD1 3.85Å; R29-D38 IonicContact CZ-OD2 2.89Å; R29-D38 IonicContact NE-OD1 3.42Å; R29-D38 PolarHBondContact NE-OD1 2.81Å; R29-D38 IonicContact NE-OD2 3.83Å; R29-D38 IonicContact NH2-OD1 2.94Å; R29-D38 IonicContact NH2-OD2 3.44Å; R29-D38 PolarHBondContact NH2-OD2 2.74Å; R29-L39 HydrophobicContact CB-CD1 3.83Å; R29-L39 HydrophobicContact CB-CG 4.27Å; R29-L39 HydrophobicContact CG-CD1 4.2Å; R29-L39 HydrophobicContact CG-CG 4.41Å; R29-V93 VanDerWaalsContact CZ-CG1 3.47Å; R29-R94 PolarHBondContact NH2-O 3.06Å |
| 30 | H | 90.8 | Very high | 90.4 | Very high | 121 Ų | 121 | 57 Ų | 57 | 56% | 0.56 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.6 | -32.9 | 173.4 | -77.5 | 95.1 | 0 | 0 | 0 | 112.2 | D26 E27 R34 | D26-H30 PolarHBondContact O-N 2.92Å; D26-H30 PolarHBondContact O-ND1 3.03Å; E27-H30 PolarHBondContact O-N 3.37Å; H30-R34 WeakPolarHBondContact O-CB 3.49Å; H30-R34 WeakPolarHBondContact O-CG 3.32Å; H30-R34 PolarHBondContact O-N 3.31Å; H30-R34 VanDerWaalsContact O-N 3.1Å; H30-R34 PolarHBondContact O-NE 3.47Å |
| 31 | S | 92.6 | Very high | 90.6 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 173.2 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | E27 A28 R29 R35 H145 | E27-S31 WeakPolarHBondContact O-CB 3.32Å; E27-S31 PolarHBondContact O-N 3.47Å; A28-S31 WeakPolarHBondContact O-CA 3.25Å; A28-S31 VanDerWaalsContact O-CB 3.22Å; A28-S31 WeakPolarHBondContact O-CB 3.2Å; A28-S31 PolarHBondContact O-N 3.33Å; R29-S31 PolarHBondContact O-N 3.13Å; S31-R35 PolarHBondContact O-NH1 2.94Å; S31-R35 PolarHBondContact OG-NH1 2.8Å; S31-H145 PolarHBondContact OG-NE2 3.1Å |
| 32 | C | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -48.2 | 174.8 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | A28 R29 R34 R35 S37 C147 | A28-C32 PolarHBondContact O-N 3.46Å; A28-C32 PolarHBondContact O-SG 2.89Å; A28-C32 VanDerWaalsContact O-SG 3.41Å; R29-C32 PolarHBondContact O-N 3.41Å; R29-C32 VanDerWaalsContact O-N 3.08Å; C32-R34 VanDerWaalsContact C-N 3.32Å; C32-R34 PolarHBondContact O-N 2.91Å; C32-R35 CarbonylContact O-C 3.59Å; C32-R35 WeakPolarHBondContact O-CA 3.24Å; C32-R35 WeakPolarHBondContact O-CB 3.45Å; C32-R35 PolarHBondContact O-N 2.87Å; C32-S37 CarbonylContact C-O 3.49Å; C32-S37 VanDerWaalsContact C-OG 3.27Å; C32-S37 WeakPolarHBondContact CA-OG 3.4Å; C32-S37 WeakPolarHBondContact CB-OG 3.25Å; C32-S37 CarbonylContact O-C 3.52Å; C32-S37 PolarHBondContact O-N 3.41Å; C32-S37 VanDerWaalsContact O-N 3.16Å; C32-S37 PolarHBondContact O-OG 3.04Å; C32-C147 WeakPolarHBondContact CA-SG 3.15Å; C32-C147 HydrophobicContact CB-CB 3.72Å; C32-C147 WeakPolarHBondContact CB-SG 3.33Å; C32-C147 VanDerWaalsContact SG-CA 3.55Å; C32-C147 WeakPolarHBondContact SG-CB 3.27Å; C32-C147 CovalentContact SG-SG 2.03Å; C32-C147 PolarHBondContact SG-SG 2.86Å |
| 33 | I | 88.6 | Confident | 89.8 | Confident | 69 Ų | 69 | 47.7 Ų | 47.7 | 35% | 0.354 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.1 | -41.2 | -176.1 | -67.4 | 169.6 | 0 | 0 | 0 | 111.5 | R29 R35 N36 S37 L95 | R29-I33 HydrophobicContact CG-CD1 3.9Å; R29-I33 HydrophobicContact CG-CG1 4.4Å; R29-I33 WeakPolarHBondContact O-CG1 3.3Å; R29-I33 PolarHBondContact O-N 3.33Å; I33-R35 PolarHBondContact O-N 3.07Å; I33-N36 PolarHBondContact O-N 3.14Å; I33-S37 WeakPolarHBondContact CA-O 3.18Å; I33-S37 PolarHBondContact N-O 3.21Å; I33-L95 HydrophobicContact CG1-CD1 3.9Å |
| 34 | R | 86.9 | Confident | 88.7 | Confident | 198 Ų | 198 | 49.1 Ų | 49.1 | 75% | 0.747 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.3 | 175.5 | -77.8 | -172.6 | -62.7 | -165.1 | 0.8 | 114.3 | H30 C32 | H30-R34 WeakPolarHBondContact O-CB 3.49Å; H30-R34 WeakPolarHBondContact O-CG 3.32Å; H30-R34 PolarHBondContact O-N 3.31Å; H30-R34 VanDerWaalsContact O-N 3.1Å; H30-R34 PolarHBondContact O-NE 3.47Å; C32-R34 VanDerWaalsContact C-N 3.32Å; C32-R34 PolarHBondContact O-N 2.91Å |
| 35 | R | 83.8 | Confident | 87.5 | Confident | 124 Ų | 124 | 54 Ų | 54 | 47% | 0.468 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 19.9 | 179.1 | -64.1 | 178.1 | 177.4 | 82.2 | -5 | 112.4 | S31 C32 I33 S37 | S31-R35 PolarHBondContact O-NH1 2.94Å; S31-R35 PolarHBondContact OG-NH1 2.8Å; C32-R35 CarbonylContact O-C 3.59Å; C32-R35 WeakPolarHBondContact O-CA 3.24Å; C32-R35 WeakPolarHBondContact O-CB 3.45Å; C32-R35 PolarHBondContact O-N 2.87Å; I33-R35 PolarHBondContact O-N 3.07Å; R35-S37 PolarHBondContact O-N 3.16Å |
| 36 | N | 84 | Confident | 86.2 | Confident | 145 Ų | 145 | 59.5 Ų | 59.5 | 78% | 0.775 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 39.5 | -179.1 | -142.8 | 37.4 | 0 | 0 | 0 | 112.2 | I33 R149 | I33-N36 PolarHBondContact O-N 3.14Å; N36-R149 WeakPolarHBondContact O-CB 3.5Å |
| 37 | S | 88.2 | Confident | 85.6 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | trans | -139.1 | 166.2 | -180 | 63.9 | 0 | 0 | 0 | 0 | 110 | C32 I33 R35 L95 C147 E148 | C32-S37 CarbonylContact C-O 3.49Å; C32-S37 VanDerWaalsContact C-OG 3.27Å; C32-S37 WeakPolarHBondContact CA-OG 3.4Å; C32-S37 WeakPolarHBondContact CB-OG 3.25Å; C32-S37 CarbonylContact O-C 3.52Å; C32-S37 PolarHBondContact O-N 3.41Å; C32-S37 VanDerWaalsContact O-N 3.16Å; C32-S37 PolarHBondContact O-OG 3.04Å; I33-S37 WeakPolarHBondContact CA-O 3.18Å; I33-S37 PolarHBondContact N-O 3.21Å; R35-S37 PolarHBondContact O-N 3.16Å; S37-L95 VanDerWaalsContact O-CD1 3.32Å; S37-L95 WeakPolarHBondContact O-CD1 3.31Å; S37-C147 WeakPolarHBondContact OG-CB 3.49Å; S37-E148 WeakPolarHBondContact CA-O 3.3Å; S37-E148 WeakPolarHBondContact CB-O 3.36Å | ||
| 38 | D | 90.4 | Very high | 84.9 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 176.3 | 168.8 | -149.1 | -19 | 0 | 0 | 0 | 109.9 | R29 L95 C147 E148 | R29-D38 WeakPolarHBondContact CG-OD1 3.23Å; R29-D38 IonicContact CZ-OD1 3.85Å; R29-D38 IonicContact CZ-OD2 2.89Å; R29-D38 IonicContact NE-OD1 3.42Å; R29-D38 PolarHBondContact NE-OD1 2.81Å; R29-D38 IonicContact NE-OD2 3.83Å; R29-D38 IonicContact NH2-OD1 2.94Å; R29-D38 IonicContact NH2-OD2 3.44Å; R29-D38 PolarHBondContact NH2-OD2 2.74Å; D38-L95 HydrophobicContact CB-CB 4.35Å; D38-L95 HydrophobicContact CB-CD1 3.79Å; D38-L95 PolarHBondContact OD2-N 3.02Å; D38-L95 VanDerWaalsContact OD2-N 3.16Å; D38-C147 CarbonylContact O-C 3.46Å; D38-C147 WeakPolarHBondContact O-CA 3.31Å; D38-E148 PolarHBondContact N-O 3.3Å; D38-E148 PolarHBondContact O-N 3.47Å |
| 39 | L | 93.5 | Very high | 84 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 148.2 | 166.1 | -75 | 169.1 | 0 | 0 | 0 | 110.3 | W25 A28 R29 W76 A78 H145 I146 | W25-L39 HydrophobicContact CD2-CD1 4.16Å; W25-L39 HydrophobicContact CG-CD1 4.45Å; W25-L39 HydrophobicContact CZ2-CD1 3.87Å; A28-L39 HydrophobicContact CB-CD2 4.3Å; R29-L39 HydrophobicContact CB-CD1 3.83Å; R29-L39 HydrophobicContact CB-CG 4.27Å; R29-L39 HydrophobicContact CG-CD1 4.2Å; R29-L39 HydrophobicContact CG-CG 4.41Å; L39-W76 HydrophobicContact CD2-CB 4.34Å; L39-A78 HydrophobicContact CB-CB 3.75Å; L39-A78 WeakPolarHBondContact O-CB 3.45Å; L39-H145 HydrophobicContact CD2-CB 3.88Å; L39-I146 WeakPolarHBondContact CA-O 3.33Å |
| 40 | A | 91.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 135.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | Y16 I51 A78 I146 E148 | Y16-A40 HydrophobicContact CD1-CB 4.29Å; Y16-A40 HydrophobicContact CE1-CB 4.32Å; A40-I51 HydrophobicContact CB-CD1 3.99Å; A40-A78 WeakPolarHBondContact O-CB 3.03Å; A40-A78 PolarHBondContact O-N 3.37Å; A40-I146 HydrophobicContact CB-CG1 4.35Å; A40-I146 HydrophobicContact CB-CG2 3.78Å; A40-I146 PolarHBondContact N-O 2.95Å; A40-E148 WeakPolarHBondContact CA-OE2 3.46Å; A40-E148 HydrophobicContact CB-CB 3.98Å |
| 41 | V | 88 | Confident | 83.2 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -100.2 | 118.9 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 110 | A43 K47 A78 W92 R94 M101 E148 | V41-A43 PolarHBondContact O-N 3.11Å; V41-K47 WeakPolarHBondContact O-CD 3.48Å; V41-K47 WeakPolarHBondContact O-CE 3.47Å; V41-K47 PolarHBondContact O-NZ 3.05Å; V41-A78 HydrophobicContact CG2-CB 3.7Å; V41-W92 HydrophobicContact CB-CE3 4.19Å; V41-W92 HydrophobicContact CG1-CB 3.89Å; V41-W92 HydrophobicContact CG1-CD2 3.82Å; V41-W92 HydrophobicContact CG1-CE3 4Å; V41-W92 HydrophobicContact CG1-CG 3.76Å; V41-W92 HydrophobicContact CG2-CB 4.32Å; V41-W92 HydrophobicContact CG2-CE3 4.28Å; V41-R94 HydrophobicContact CG2-CG 4.05Å; V41-M101 HydrophobicContact CG1-CE 4.35Å; V41-E148 PolarHBondContact N-OE2 3.09Å |
| 42 | I | 83.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -99.8 | 89.5 | -176.1 | -51.4 | -166.1 | 0 | 0 | 0 | 110.2 | R48 I51 I77 W92 L125 F134 | I42-R48 HydrophobicContact CG2-CB 3.56Å; I42-R48 HydrophobicContact CG2-CG 4.21Å; I42-I51 HydrophobicContact CD1-CB 4.38Å; I42-I51 HydrophobicContact CD1-CD1 3.5Å; I42-I51 HydrophobicContact CD1-CG2 4.39Å; I42-I51 HydrophobicContact CG1-CD1 3.67Å; I42-I77 HydrophobicContact CD1-CD1 4.03Å; I42-I77 HydrophobicContact CD1-CG2 4.17Å; I42-I77 HydrophobicContact CG1-CD1 4.37Å; I42-W92 HydrophobicContact CB-CH2 3.54Å; I42-W92 HydrophobicContact CB-CZ2 3.87Å; I42-W92 HydrophobicContact CB-CZ3 4.33Å; I42-W92 HydrophobicContact CG1-CH2 3.92Å; I42-W92 HydrophobicContact CG1-CZ3 4.36Å; I42-W92 VanDerWaalsContact N-CH2 3.32Å; I42-W92 WeakPolarHBondContact O-CZ2 3.37Å; I42-L125 HydrophobicContact CD1-CD1 4.03Å; I42-L125 HydrophobicContact CD1-CD2 4.42Å; I42-F134 HydrophobicContact CB-CE1 3.97Å; I42-F134 HydrophobicContact CB-CZ 3.93Å; I42-F134 HydrophobicContact CD1-CE1 3.98Å; I42-F134 HydrophobicContact CG1-CE1 4.35Å; I42-F134 HydrophobicContact CG2-CE1 4.16Å; I42-F134 HydrophobicContact CG2-CZ 3.79Å | ||
| 43 | A | 73.5 | Confident | 81.9 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 33% | 0.331 | 26% | 0.258 | S | S | . | . | trans | -95.3 | -6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V41 F108 | V41-A43 PolarHBondContact O-N 3.11Å; A43-F108 WeakPolarHBondContact O-CB 3.45Å | ||
| 44 | T | 71.6 | Confident | 81.4 | Confident | 44 Ų | 44 | 52.3 Ų | 52.3 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -143.9 | 158.3 | -178.4 | 63.6 | 0 | 0 | 0 | 0 | 110.9 | E46 K47 R48 | T44-E46 VanDerWaalsContact C-N 3.32Å; T44-E46 WeakPolarHBondContact CB-OE2 3.46Å; T44-K47 PolarHBondContact O-N 3.44Å; T44-K47 VanDerWaalsContact OG1-CB 3.24Å; T44-K47 WeakPolarHBondContact OG1-CB 3.44Å; T44-K47 PolarHBondContact OG1-N 2.82Å; T44-R48 PolarHBondContact O-N 2.9Å |
| 45 | R | 69.7 | Low | 81.1 | Confident | 128 Ų | 128 | 42.9 Ų | 42.9 | 48% | 0.483 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.6 | -37.6 | 177.5 | 176.1 | 174.3 | -88 | -170.6 | -5.9 | 111.1 | K47 R48 D49 F108 E110 | R45-K47 VanDerWaalsContact C-N 3.33Å; R45-K47 PolarHBondContact O-N 3.39Å; R45-R48 WeakPolarHBondContact O-CB 3.28Å; R45-R48 PolarHBondContact O-N 3.33Å; R45-D49 PolarHBondContact O-N 3.11Å; R45-F108 HydrophobicContact CB-CE2 4.4Å; R45-F108 HydrophobicContact CB-CZ 3.95Å; R45-E110 IonicContact CZ-OE1 2.87Å; R45-E110 IonicContact NE-OE1 3.48Å; R45-E110 IonicContact NH2-OE1 2.6Å; R45-E110 PolarHBondContact NH2-OE1 3.12Å |
| 46 | E | 68.2 | Low | 80.5 | Confident | 118 Ų | 118 | 43 Ų | 43 | 55% | 0.551 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -60 | -44.8 | 178.6 | -64.5 | 74.2 | -163.6 | 0 | 0 | 110.9 | T44 R48 D49 F50 | T44-E46 VanDerWaalsContact C-N 3.32Å; T44-E46 WeakPolarHBondContact CB-OE2 3.46Å; E46-R48 PolarHBondContact O-N 3.27Å; E46-D49 PolarHBondContact O-N 2.79Å; E46-F50 WeakPolarHBondContact O-CB 3.4Å; E46-F50 PolarHBondContact O-N 3.41Å |
| 47 | K | 77.7 | Confident | 79.9 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.8 | -36.4 | 177.8 | -175.8 | 167.8 | 176.6 | 173.3 | 0 | 112.5 | Y16 V41 T44 R45 F50 I51 E148 | Y16-K47 VanDerWaalsContact CE1-CE 3.5Å; Y16-K47 WeakPolarHBondContact OH-CE 3.4Å; Y16-K47 PolarHBondContact OH-NZ 3.3Å; V41-K47 WeakPolarHBondContact O-CD 3.48Å; V41-K47 WeakPolarHBondContact O-CE 3.47Å; V41-K47 PolarHBondContact O-NZ 3.05Å; T44-K47 PolarHBondContact O-N 3.44Å; T44-K47 VanDerWaalsContact OG1-CB 3.24Å; T44-K47 WeakPolarHBondContact OG1-CB 3.44Å; T44-K47 PolarHBondContact OG1-N 2.82Å; R45-K47 VanDerWaalsContact C-N 3.33Å; R45-K47 PolarHBondContact O-N 3.39Å; K47-F50 PolarHBondContact O-N 3.28Å; K47-I51 HydrophobicContact CG-CD1 4.14Å; K47-I51 WeakPolarHBondContact O-CG1 3.41Å; K47-I51 PolarHBondContact O-N 3.48Å; K47-E148 IonicContact NZ-OE1 2.9Å; K47-E148 PolarHBondContact NZ-OE1 3.06Å; K47-E148 IonicContact NZ-OE2 3.52Å; K47-E148 PolarHBondContact NZ-OE2 3.48Å |
| 48 | R | 80.3 | Confident | 79.1 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 173.2 | -172.2 | -166.7 | 60.9 | 127.4 | 4.2 | 111.4 | I42 T44 R45 E46 F50 I51 A52 G132 | I42-R48 HydrophobicContact CG2-CB 3.56Å; I42-R48 HydrophobicContact CG2-CG 4.21Å; T44-R48 PolarHBondContact O-N 2.9Å; R45-R48 WeakPolarHBondContact O-CB 3.28Å; R45-R48 PolarHBondContact O-N 3.33Å; E46-R48 PolarHBondContact O-N 3.27Å; R48-F50 VanDerWaalsContact C-N 3.3Å; R48-F50 PolarHBondContact O-N 3.16Å; R48-I51 PolarHBondContact O-N 3.48Å; R48-A52 WeakPolarHBondContact O-CB 3.38Å; R48-A52 PolarHBondContact O-N 3.47Å; R48-G132 WeakPolarHBondContact CD-O 3.35Å; R48-G132 PolarHBondContact NH1-O 3.34Å |
| 49 | D | 77.1 | Confident | 78 | Confident | 77 Ų | 77 | 47.2 Ų | 47.2 | 41% | 0.412 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.1 | -37.5 | -179.7 | -67.9 | -8.5 | 0 | 0 | 0 | 111.2 | R45 E46 A52 F53 | R45-D49 PolarHBondContact O-N 3.11Å; E46-D49 PolarHBondContact O-N 2.79Å; D49-A52 PolarHBondContact O-N 3.06Å; D49-F53 WeakPolarHBondContact O-CB 3.31Å; D49-F53 PolarHBondContact O-N 3.43Å |
| 50 | F | 81.4 | Confident | 76.1 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | 170.9 | 169.7 | -101.9 | 0 | 0 | 0 | 112.2 | F9 H11 Y16 E46 K47 R48 A52 F53 I54 | F9-F50 HydrophobicContact CB-CE2 4.43Å; F9-F50 HydrophobicContact CB-CZ 3.71Å; H11-F50 HydrophobicContact CB-CD1 3.52Å; H11-F50 HydrophobicContact CB-CD2 3.94Å; H11-F50 HydrophobicContact CB-CE1 3.33Å; H11-F50 HydrophobicContact CB-CE2 3.76Å; H11-F50 HydrophobicContact CB-CG 3.82Å; H11-F50 HydrophobicContact CB-CZ 3.45Å; H11-F50 VanDerWaalsContact CB-CZ 3.45Å; H11-F50 AromaticContact CD2-CD1 3.82Å; H11-F50 AromaticContact CD2-CG 3.96Å; H11-F50 AromaticContact CG-CD1 3.59Å; H11-F50 AromaticContact CG-CD2 3.93Å; H11-F50 AromaticContact CG-CE1 3.97Å; H11-F50 AromaticContact CG-CG 3.57Å; H11-F50 AromaticContact ND1-CD2 3.78Å; H11-F50 AromaticContact ND1-CG 3.66Å; Y16-F50 HydrophobicContact CD1-CE1 4.44Å; Y16-F50 AromaticContact CD2-CE1 3.63Å; Y16-F50 HydrophobicContact CD2-CE1 3.63Å; Y16-F50 HydrophobicContact CD2-CZ 4.19Å; Y16-F50 HydrophobicContact CE2-CE1 4.08Å; Y16-F50 AromaticContact CG-CE1 3.84Å; Y16-F50 HydrophobicContact CG-CE1 3.84Å; E46-F50 WeakPolarHBondContact O-CB 3.4Å; E46-F50 PolarHBondContact O-N 3.41Å; K47-F50 PolarHBondContact O-N 3.28Å; R48-F50 VanDerWaalsContact C-N 3.3Å; R48-F50 PolarHBondContact O-N 3.16Å; F50-A52 VanDerWaalsContact C-N 3.33Å; F50-A52 PolarHBondContact O-N 2.7Å; F50-F53 WeakPolarHBondContact O-CB 3.33Å; F50-F53 PolarHBondContact O-N 3.27Å; F50-F53 VanDerWaalsContact O-N 3.16Å; F50-I54 HydrophobicContact CD1-CD1 4.39Å; F50-I54 HydrophobicContact CD2-CG2 4.37Å; F50-I54 HydrophobicContact CE1-CD1 3.85Å; F50-I54 HydrophobicContact CE1-CG2 4.41Å; F50-I54 HydrophobicContact CE2-CG2 3.84Å; F50-I54 HydrophobicContact CZ-CD1 4.21Å; F50-I54 HydrophobicContact CZ-CG2 3.86Å; F50-I54 PolarHBondContact O-N 3.13Å |
| 51 | I | 83.5 | Confident | 73.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 178.6 | -70.2 | 170.3 | 0 | 0 | 0 | 111.1 | A40 I42 K47 R48 F53 I54 T55 L125 I146 | A40-I51 HydrophobicContact CB-CD1 3.99Å; I42-I51 HydrophobicContact CD1-CB 4.38Å; I42-I51 HydrophobicContact CD1-CD1 3.5Å; I42-I51 HydrophobicContact CD1-CG2 4.39Å; I42-I51 HydrophobicContact CG1-CD1 3.67Å; K47-I51 HydrophobicContact CG-CD1 4.14Å; K47-I51 WeakPolarHBondContact O-CG1 3.41Å; K47-I51 PolarHBondContact O-N 3.48Å; R48-I51 PolarHBondContact O-N 3.48Å; I51-F53 VanDerWaalsContact C-N 3.31Å; I51-F53 PolarHBondContact O-N 3.4Å; I51-I54 HydrophobicContact CG1-CD1 4.37Å; I51-I54 WeakPolarHBondContact O-CG1 3.42Å; I51-I54 PolarHBondContact O-N 2.9Å; I51-T55 VanDerWaalsContact O-CB 3.28Å; I51-T55 WeakPolarHBondContact O-CB 3.39Å; I51-T55 PolarHBondContact O-N 3.19Å; I51-T55 PolarHBondContact O-OG1 3.23Å; I51-L125 HydrophobicContact CG2-CD1 3.49Å; I51-L125 VanDerWaalsContact CG2-CD1 3.49Å; I51-I146 HydrophobicContact CD1-CD1 4.5Å; I51-I146 HydrophobicContact CG1-CD1 4.02Å; I51-I146 HydrophobicContact CG2-CD1 3.92Å; I51-I146 HydrophobicContact CG2-CG2 4.47Å |
| 52 | A | 80.1 | Confident | 71.6 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R48 D49 F50 R56 | R48-A52 WeakPolarHBondContact O-CB 3.38Å; R48-A52 PolarHBondContact O-N 3.47Å; D49-A52 PolarHBondContact O-N 3.06Å; F50-A52 VanDerWaalsContact C-N 3.33Å; F50-A52 PolarHBondContact O-N 2.7Å; A52-R56 WeakPolarHBondContact O-CB 3.44Å; A52-R56 VanDerWaalsContact O-CG 3.28Å; A52-R56 WeakPolarHBondContact O-CG 3.39Å; A52-R56 PolarHBondContact O-N 2.89Å; A52-R56 VanDerWaalsContact O-N 3.07Å; A52-R56 PolarHBondContact O-NE 3.15Å |
| 53 | F | 78.3 | Confident | 69.6 | Low | 111 Ų | 111 | 63.5 Ų | 63.5 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.8 | -51.9 | 174.9 | 171.7 | -98.4 | 0 | 0 | 0 | 112.7 | D49 F50 I51 T55 R56 K57 | D49-F53 WeakPolarHBondContact O-CB 3.31Å; D49-F53 PolarHBondContact O-N 3.43Å; F50-F53 WeakPolarHBondContact O-CB 3.33Å; F50-F53 PolarHBondContact O-N 3.27Å; F50-F53 VanDerWaalsContact O-N 3.16Å; I51-F53 VanDerWaalsContact C-N 3.31Å; I51-F53 PolarHBondContact O-N 3.4Å; F53-T55 VanDerWaalsContact C-N 3.27Å; F53-T55 PolarHBondContact O-N 2.87Å; F53-R56 PolarHBondContact O-N 3.24Å; F53-K57 HydrophobicContact CE1-CD 4.35Å; F53-K57 HydrophobicContact CZ-CD 4.42Å; F53-K57 WeakPolarHBondContact O-CB 3.38Å; F53-K57 PolarHBondContact O-N 3.02Å |
| 54 | I | 78.9 | Confident | 68.1 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -35 | -179.7 | 61.5 | -177.1 | 0 | 0 | 0 | 111.7 | F9 F50 I51 K57 H58 I146 | F9-I54 HydrophobicContact CB-CG2 4.03Å; F9-I54 HydrophobicContact CD1-CB 4.44Å; F9-I54 HydrophobicContact CD1-CG2 3.71Å; F9-I54 HydrophobicContact CD2-CB 4.09Å; F9-I54 HydrophobicContact CD2-CD1 4.38Å; F9-I54 HydrophobicContact CD2-CG2 4.05Å; F9-I54 HydrophobicContact CE1-CG2 4.15Å; F9-I54 HydrophobicContact CE2-CB 4.2Å; F9-I54 HydrophobicContact CE2-CG2 4.46Å; F9-I54 HydrophobicContact CG-CB 4.22Å; F9-I54 HydrophobicContact CG-CG2 3.66Å; F9-I54 HydrophobicContact CZ-CB 4.42Å; F50-I54 HydrophobicContact CD1-CD1 4.39Å; F50-I54 HydrophobicContact CD2-CG2 4.37Å; F50-I54 HydrophobicContact CE1-CD1 3.85Å; F50-I54 HydrophobicContact CE1-CG2 4.41Å; F50-I54 HydrophobicContact CE2-CG2 3.84Å; F50-I54 HydrophobicContact CZ-CD1 4.21Å; F50-I54 HydrophobicContact CZ-CG2 3.86Å; F50-I54 PolarHBondContact O-N 3.13Å; I51-I54 HydrophobicContact CG1-CD1 4.37Å; I51-I54 WeakPolarHBondContact O-CG1 3.42Å; I51-I54 PolarHBondContact O-N 2.9Å; I54-K57 PolarHBondContact O-N 3.47Å; I54-H58 WeakPolarHBondContact O-CB 3.33Å; I54-H58 PolarHBondContact O-N 2.82Å; I54-I146 HydrophobicContact CD1-CD1 3.33Å; I54-I146 HydrophobicContact CG1-CD1 4.26Å |
| 55 | T | 79.1 | Confident | 66.6 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.9 | -46.8 | 177.7 | -54.1 | 0 | 0 | 0 | 0 | 111 | L18 I51 F53 K57 H58 V59 V75 Y131 | L18-T55 HydrophobicContact CD2-CG2 4.13Å; I51-T55 VanDerWaalsContact O-CB 3.28Å; I51-T55 WeakPolarHBondContact O-CB 3.39Å; I51-T55 PolarHBondContact O-N 3.19Å; I51-T55 PolarHBondContact O-OG1 3.23Å; F53-T55 VanDerWaalsContact C-N 3.27Å; F53-T55 PolarHBondContact O-N 2.87Å; T55-K57 VanDerWaalsContact C-N 3.28Å; T55-K57 PolarHBondContact O-N 3.15Å; T55-H58 PolarHBondContact O-N 2.72Å; T55-V59 HydrophobicContact CG2-CG2 4.18Å; T55-V59 WeakPolarHBondContact O-CB 3.3Å; T55-V59 VanDerWaalsContact O-CG2 3.31Å; T55-V59 WeakPolarHBondContact O-CG2 3.46Å; T55-V59 PolarHBondContact O-N 3.45Å; T55-V75 HydrophobicContact CG2-CG2 3.52Å; T55-Y131 HydrophobicContact CG2-CD1 3.62Å; T55-Y131 HydrophobicContact CG2-CD2 3.52Å; T55-Y131 HydrophobicContact CG2-CE1 3.55Å; T55-Y131 HydrophobicContact CG2-CE2 3.45Å; T55-Y131 VanDerWaalsContact CG2-CE2 3.45Å; T55-Y131 HydrophobicContact CG2-CG 3.6Å; T55-Y131 VanDerWaalsContact CG2-CZ 3.45Å |
| 56 | R | 72.7 | Confident | 65.4 | Low | 126 Ų | 126 | 63 Ų | 63 | 48% | 0.475 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.2 | -39 | 172.4 | -76.7 | -177 | -75.2 | -175.8 | 3.2 | 112.6 | A52 F53 G60 Y131 | A52-R56 WeakPolarHBondContact O-CB 3.44Å; A52-R56 VanDerWaalsContact O-CG 3.28Å; A52-R56 WeakPolarHBondContact O-CG 3.39Å; A52-R56 PolarHBondContact O-N 2.89Å; A52-R56 VanDerWaalsContact O-N 3.07Å; A52-R56 PolarHBondContact O-NE 3.15Å; F53-R56 PolarHBondContact O-N 3.24Å; R56-G60 CarbonylContact O-C 3.6Å; R56-G60 WeakPolarHBondContact O-CA 3.38Å; R56-G60 PolarHBondContact O-N 2.83Å; R56-Y131 HydrophobicContact CG-CD2 4.06Å; R56-Y131 HydrophobicContact CG-CE2 4.32Å |
| 57 | K | 70.7 | Confident | 64.1 | Low | 136 Ų | 136 | 65.3 Ų | 65.3 | 59% | 0.591 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.3 | -41.4 | 179.2 | -171.1 | -179.9 | 177.9 | -177.9 | 0 | 112 | F9 F53 I54 T55 | F9-K57 HydrophobicContact CE1-CD 4.32Å; F53-K57 HydrophobicContact CE1-CD 4.35Å; F53-K57 HydrophobicContact CZ-CD 4.42Å; F53-K57 WeakPolarHBondContact O-CB 3.38Å; F53-K57 PolarHBondContact O-N 3.02Å; I54-K57 PolarHBondContact O-N 3.47Å; T55-K57 VanDerWaalsContact C-N 3.28Å; T55-K57 PolarHBondContact O-N 3.15Å |
| 58 | H | 71.2 | Confident | 62.5 | Low | 95 Ų | 95 | 73.4 Ų | 73.4 | 44% | 0.44 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -78.5 | -43.2 | -176.8 | -170 | 99.5 | 0 | 0 | 0 | 112.8 | L18 I54 T55 G60 | L18-H58 HydrophobicContact CD2-CB 3.52Å; I54-H58 WeakPolarHBondContact O-CB 3.33Å; I54-H58 PolarHBondContact O-N 2.82Å; T55-H58 PolarHBondContact O-N 2.72Å; H58-G60 PolarHBondContact O-N 2.85Å |
| 59 | V | 66.5 | Low | 61 | Low | 23 Ų | 23 | 75.7 Ų | 75.7 | 14% | 0.139 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.5 | -20.7 | 174.7 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | L18 T55 Y62 M144 | L18-V59 HydrophobicContact CD2-CG2 4.44Å; T55-V59 HydrophobicContact CG2-CG2 4.18Å; T55-V59 WeakPolarHBondContact O-CB 3.3Å; T55-V59 VanDerWaalsContact O-CG2 3.31Å; T55-V59 WeakPolarHBondContact O-CG2 3.46Å; T55-V59 PolarHBondContact O-N 3.45Å; V59-Y62 WeakPolarHBondContact O-CB 3.48Å; V59-Y62 WeakPolarHBondContact O-CD2 3.46Å; V59-M144 HydrophobicContact CG2-CE 3.77Å; V59-M144 HydrophobicContact CG2-SD 3.99Å |
| 60 | G | 53.7 | Low | 59.7 | Low | 29 Ų | 29 | 75.5 Ų | 75.5 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | trans | 74.6 | 178.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R56 H58 Y62 | R56-G60 CarbonylContact O-C 3.6Å; R56-G60 WeakPolarHBondContact O-CA 3.38Å; R56-G60 PolarHBondContact O-N 2.83Å; H58-G60 PolarHBondContact O-N 2.85Å; G60-Y62 PolarHBondContact O-N 3.22Å | ||
| 61 | S | 46.2 | Very low | 58.5 | Low | 110 Ų | 110 | 80.1 Ų | 80.1 | 77% | 0.769 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -64.7 | 19.1 | 171.4 | -167.9 | 0 | 0 | 0 | 0 | 113.6 | A63 D64 | S61-A63 PolarHBondContact O-N 3.08Å; S61-D64 PolarHBondContact O-N 2.93Å |
| 62 | Y | 39.2 | Very low | 57.4 | Low | 152 Ų | 152 | 81.6 Ų | 81.6 | 60% | 0.596 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 10.7 | 173.3 | -87.3 | -87.3 | 0 | 0 | 0 | 113.6 | V59 G60 D64 L65 | V59-Y62 WeakPolarHBondContact O-CB 3.48Å; V59-Y62 WeakPolarHBondContact O-CD2 3.46Å; G60-Y62 PolarHBondContact O-N 3.22Å; Y62-D64 PolarHBondContact O-N 3.2Å; Y62-L65 HydrophobicContact CD1-CB 4.19Å; Y62-L65 HydrophobicContact CD1-CD1 4.23Å; Y62-L65 HydrophobicContact CE1-CD1 4.36Å; Y62-L65 PolarHBondContact O-N 3.3Å |
| 63 | A | 41 | Very low | 57.4 | Low | 61 Ų | 61 | 83.9 Ų | 83.9 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -53.8 | -27.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S61 L65 S66 | S61-A63 PolarHBondContact O-N 3.08Å; A63-L65 PolarHBondContact O-N 3.14Å; A63-S66 PolarHBondContact O-N 3.46Å; A63-S66 PolarHBondContact O-OG 3.26Å; A63-S66 VanDerWaalsContact O-OG 3.12Å |
| 64 | D | 42.1 | Very low | 57.9 | Low | 93 Ų | 93 | 79.7 Ų | 79.7 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -22.5 | 171.1 | -90.1 | 3 | 0 | 0 | 0 | 113.2 | S61 Y62 M67 Y68 | S61-D64 PolarHBondContact O-N 2.93Å; Y62-D64 PolarHBondContact O-N 3.2Å; D64-M67 WeakPolarHBondContact O-CB 3.39Å; D64-Y68 VanDerWaalsContact O-CD2 3.29Å; D64-Y68 WeakPolarHBondContact O-CD2 3.47Å |
| 65 | L | 40.8 | Very low | 58.5 | Low | 74 Ų | 74 | 79.7 Ų | 79.7 | 39% | 0.387 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -86.5 | -19.7 | -179.1 | -133.7 | 91.7 | 0 | 0 | 0 | 113.8 | Y62 A63 M67 Y68 T69 | Y62-L65 HydrophobicContact CD1-CB 4.19Å; Y62-L65 HydrophobicContact CD1-CD1 4.23Å; Y62-L65 HydrophobicContact CE1-CD1 4.36Å; Y62-L65 PolarHBondContact O-N 3.3Å; A63-L65 PolarHBondContact O-N 3.14Å; L65-M67 PolarHBondContact O-N 2.87Å; L65-Y68 CarbonylContact O-C 3.51Å; L65-Y68 PolarHBondContact O-N 3.08Å; L65-T69 HydrophobicContact CD2-CG2 3.77Å; L65-T69 HydrophobicContact CG-CG2 4.19Å; L65-T69 WeakPolarHBondContact O-CB 3.08Å; L65-T69 PolarHBondContact O-N 3.43Å; L65-T69 PolarHBondContact O-OG1 3.31Å |
| 66 | S | 44.5 | Very low | 59.3 | Low | 35 Ų | 35 | 79.7 Ų | 79.7 | 25% | 0.245 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.2 | -29.1 | 168.4 | 63.8 | 0 | 0 | 0 | 0 | 110.2 | A63 Y68 G70 | A63-S66 PolarHBondContact O-N 3.46Å; A63-S66 PolarHBondContact O-OG 3.26Å; A63-S66 VanDerWaalsContact O-OG 3.12Å; S66-Y68 PolarHBondContact O-N 3.33Å; S66-G70 WeakPolarHBondContact O-CA 3.05Å; S66-G70 PolarHBondContact O-N 3.29Å |
| 67 | M | 41.6 | Very low | 60.3 | Low | 166 Ų | 166 | 73.7 Ų | 73.7 | 82% | 0.818 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.5 | -24.4 | 169.7 | -161.5 | 179.3 | 174.1 | 0 | 0 | 113 | D64 L65 | D64-M67 WeakPolarHBondContact O-CB 3.39Å; L65-M67 PolarHBondContact O-N 2.87Å |
| 68 | Y | 43.3 | Very low | 61.2 | Low | 184 Ų | 184 | 67.2 Ų | 67.2 | 72% | 0.722 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -99.1 | -29 | 177.7 | -80.2 | -74.4 | 0 | 0 | 0 | 114.9 | D64 L65 S66 | D64-Y68 VanDerWaalsContact O-CD2 3.29Å; D64-Y68 WeakPolarHBondContact O-CD2 3.47Å; L65-Y68 CarbonylContact O-C 3.51Å; L65-Y68 PolarHBondContact O-N 3.08Å; S66-Y68 PolarHBondContact O-N 3.33Å |
| 69 | T | 49 | Very low | 62.1 | Low | 79 Ų | 79 | 62.7 Ų | 62.7 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -100.6 | -14.8 | -176.1 | 55 | 0 | 0 | 0 | 0 | 113 | L65 E71 | L65-T69 HydrophobicContact CD2-CG2 3.77Å; L65-T69 HydrophobicContact CG-CG2 4.19Å; L65-T69 WeakPolarHBondContact O-CB 3.08Å; L65-T69 PolarHBondContact O-N 3.43Å; L65-T69 PolarHBondContact O-OG1 3.31Å; T69-E71 PolarHBondContact O-N 3.09Å |
| 70 | G | 50 | Low | 63.1 | Low | 73 Ų | 73 | 63.9 Ų | 63.9 | 75% | 0.753 | 36% | 0.358 | S | S | * | . | trans | 68.3 | -2.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S66 | S66-G70 WeakPolarHBondContact O-CA 3.05Å; S66-G70 PolarHBondContact O-N 3.29Å | ||
| 71 | E | 57.1 | Low | 64.6 | Low | 131 Ų | 131 | 62.8 Ų | 62.8 | 61% | 0.612 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -102.8 | 116.6 | 178.9 | -70.6 | -174.9 | 176.1 | 0 | 0 | 110.4 | T69 Q73 | T69-E71 PolarHBondContact O-N 3.09Å; E71-Q73 PolarHBondContact O-N 3.44Å |
| 72 | A | 58.8 | Low | 66.1 | Low | 30 Ų | 30 | 60.5 Ų | 60.5 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 129.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | L74 E128 | A72-L74 PolarHBondContact O-N 3.1Å; A72-E128 HydrophobicContact CB-CG 3.84Å |
| 73 | Q | 80.5 | Confident | 67.6 | Low | 54 Ų | 54 | 57.5 Ų | 57.5 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -78 | 125.6 | 172.8 | -67.3 | -159.2 | -4.9 | 0 | 0 | 109.3 | E71 S127 Y131 M144 | E71-Q73 PolarHBondContact O-N 3.44Å; Q73-S127 PolarHBondContact N-OG 3.41Å; Q73-S127 WeakPolarHBondContact O-CB 3.42Å; Q73-S127 PolarHBondContact O-N 3.41Å; Q73-Y131 WeakPolarHBondContact O-CE1 3.47Å; Q73-M144 HydrophobicContact CB-CE 3.87Å; Q73-M144 VanDerWaalsContact OE1-CE 3.28Å |
| 74 | L | 88.9 | Confident | 68.8 | Low | 23 Ų | 23 | 62.6 Ų | 62.6 | 12% | 0.12 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 144 | -177.9 | -66.2 | 169.8 | 0 | 0 | 0 | 110.2 | A72 A124 L125 V137 T141 A143 M144 | A72-L74 PolarHBondContact O-N 3.1Å; L74-A124 HydrophobicContact CB-CB 4.04Å; L74-A124 HydrophobicContact CD2-CB 4.03Å; L74-L125 CarbonylContact C-O 3.52Å; L74-L125 WeakPolarHBondContact CA-O 3.42Å; L74-V137 HydrophobicContact CD1-CB 4.48Å; L74-V137 HydrophobicContact CD1-CG1 3.94Å; L74-V137 HydrophobicContact CD1-CG2 3.96Å; L74-V137 HydrophobicContact CD2-CG2 4.14Å; L74-T141 HydrophobicContact CD1-CG2 4.14Å; L74-A143 HydrophobicContact CB-CB 3.49Å; L74-A143 VanDerWaalsContact CB-CB 3.49Å; L74-A143 WeakPolarHBondContact O-CB 3.33Å; L74-M144 PolarHBondContact O-N 2.85Å |
| 75 | V | 91.9 | Very high | 70.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 113.5 | 168.7 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | L18 T55 A124 L125 Y131 M144 I146 | L18-V75 HydrophobicContact CD1-CG1 3.6Å; L18-V75 HydrophobicContact CD1-CG2 4.14Å; T55-V75 HydrophobicContact CG2-CG2 3.52Å; V75-A124 CarbonylContact O-C 3.54Å; V75-A124 WeakPolarHBondContact O-CA 3.37Å; V75-A124 WeakPolarHBondContact O-CB 3.48Å; V75-L125 HydrophobicContact CB-CB 4.44Å; V75-L125 PolarHBondContact N-O 3.33Å; V75-L125 PolarHBondContact O-N 2.96Å; V75-Y131 HydrophobicContact CG2-CD1 4.07Å; V75-Y131 HydrophobicContact CG2-CE1 3.85Å; V75-M144 CarbonylContact C-O 3.54Å; V75-M144 VanDerWaalsContact CA-O 3.29Å; V75-M144 WeakPolarHBondContact CA-O 3.39Å; V75-M144 HydrophobicContact CG2-CB 4.18Å; V75-M144 HydrophobicContact CG2-CE 4.11Å; V75-I146 HydrophobicContact CG1-CB 4.11Å; V75-I146 HydrophobicContact CG1-CG2 3.88Å |
| 76 | W | 95 | Very high | 71.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 136.3 | 174.3 | -70.6 | 132.8 | 0 | 0 | 0 | 111.9 | S23 W25 L39 C122 A124 V137 T141 A143 M144 H145 I146 | S23-W76 PolarHBondContact O-NE1 3.43Å; S23-W76 VanDerWaalsContact O-NE1 3.07Å; W25-W76 HydrophobicContact CB-CD2 4.02Å; W25-W76 HydrophobicContact CB-CE3 4.35Å; W25-W76 HydrophobicContact CB-CG 4.41Å; W25-W76 HydrophobicContact CB-CH2 4.48Å; W25-W76 HydrophobicContact CB-CZ2 4.14Å; W25-W76 AromaticContact CD1-CD2 3.66Å; W25-W76 AromaticContact CD1-CE3 3.49Å; W25-W76 VanDerWaalsContact CD1-CE3 3.49Å; W25-W76 AromaticContact CD1-CG 3.94Å; W25-W76 HydrophobicContact CG-CD2 4.26Å; W25-W76 HydrophobicContact CG-CE3 4.31Å; L39-W76 HydrophobicContact CD2-CB 4.34Å; W76-C122 HydrophobicContact CE3-CB 4.1Å; W76-C122 HydrophobicContact CH2-CB 3.81Å; W76-C122 HydrophobicContact CZ3-CB 3.46Å; W76-C122 VanDerWaalsContact CZ3-CB 3.46Å; W76-A124 HydrophobicContact CD2-CB 4.29Å; W76-A124 HydrophobicContact CE3-CB 3.55Å; W76-A124 HydrophobicContact CZ3-CB 3.79Å; W76-V137 HydrophobicContact CH2-CB 3.75Å; W76-V137 HydrophobicContact CH2-CG1 4.06Å; W76-V137 HydrophobicContact CZ3-CB 4.08Å; W76-T141 VanDerWaalsContact CZ2-O 3.25Å; W76-T141 WeakPolarHBondContact CZ2-O 3.36Å; W76-T141 PolarHBondContact NE1-O 3.29Å; W76-A143 HydrophobicContact CD2-CB 4.11Å; W76-A143 HydrophobicContact CG-CB 4.03Å; W76-A143 HydrophobicContact CZ2-CB 4.48Å; W76-M144 PolarHBondContact N-O 3.39Å; W76-H145 HydrophobicContact CB-CB 4.01Å; W76-I146 PolarHBondContact O-N 3.48Å |
| 77 | I | 93.6 | Very high | 72.2 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 173.6 | 173.1 | 60 | 175.6 | 0 | 0 | 0 | 109.4 | W25 I42 G79 W92 V123 L125 F134 I146 | W25-I77 PolarHBondContact NE1-O 3.21Å; I42-I77 HydrophobicContact CD1-CD1 4.03Å; I42-I77 HydrophobicContact CD1-CG2 4.17Å; I42-I77 HydrophobicContact CG1-CD1 4.37Å; I77-G79 PolarHBondContact O-N 3Å; I77-W92 HydrophobicContact CB-CZ3 4.3Å; I77-W92 HydrophobicContact CD1-CH2 3.6Å; I77-W92 HydrophobicContact CD1-CZ3 3.87Å; I77-W92 HydrophobicContact CG1-CH2 4.34Å; I77-W92 HydrophobicContact CG1-CZ3 4.11Å; I77-V123 HydrophobicContact CD1-CB 4.47Å; I77-V123 HydrophobicContact CD1-CG1 3.79Å; I77-V123 HydrophobicContact CG1-CB 4.18Å; I77-V123 HydrophobicContact CG1-CG1 3.99Å; I77-V123 VanDerWaalsContact CG1-O 3.26Å; I77-V123 WeakPolarHBondContact CG1-O 3.36Å; I77-V123 PolarHBondContact N-O 3.22Å; I77-L125 HydrophobicContact CD1-CD2 4.14Å; I77-L125 HydrophobicContact CD1-CG 4.25Å; I77-L125 HydrophobicContact CG2-CD1 4.1Å; I77-L125 HydrophobicContact CG2-CG 4.11Å; I77-F134 HydrophobicContact CD1-CD1 3.5Å; I77-F134 HydrophobicContact CD1-CE1 3.56Å; I77-I146 HydrophobicContact CG2-CG2 3.83Å |
| 78 | A | 91 | Very high | 73.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 17.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116 | L39 A40 V41 W92 V93 | L39-A78 HydrophobicContact CB-CB 3.75Å; L39-A78 WeakPolarHBondContact O-CB 3.45Å; A40-A78 WeakPolarHBondContact O-CB 3.03Å; A40-A78 PolarHBondContact O-N 3.37Å; V41-A78 HydrophobicContact CG2-CB 3.7Å; A78-W92 HydrophobicContact CB-CE3 3.97Å; A78-W92 HydrophobicContact CB-CZ3 4.41Å; A78-W92 WeakPolarHBondContact O-CA 3.39Å; A78-V93 PolarHBondContact O-N 3.5Å |
| 79 | G | 89.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 133.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I77 V123 | I77-G79 PolarHBondContact O-N 3Å; G79-V123 PolarHBondContact O-N 3.23Å |
| 80 | K | 88.1 | Confident | 76.5 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 154.4 | 177 | -168.6 | 165.3 | -174.8 | 168.5 | 0 | 111.4 | W25 D26 F91 V93 | W25-K80 HydrophobicContact CE3-CD 4.18Å; W25-K80 HydrophobicContact CH2-CB 4.38Å; W25-K80 HydrophobicContact CH2-CD 3.78Å; W25-K80 HydrophobicContact CZ2-CB 4.2Å; W25-K80 HydrophobicContact CZ2-CD 4.29Å; W25-K80 HydrophobicContact CZ3-CD 3.72Å; D26-K80 IonicContact OD1-NZ 3.51Å; D26-K80 PolarHBondContact OD1-NZ 3.05Å; K80-F91 PolarHBondContact N-O 2.79Å; K80-F91 VanDerWaalsContact N-O 3.09Å; K80-F91 WeakPolarHBondContact O-CD1 3.47Å; K80-F91 PolarHBondContact O-N 3.45Å; K80-F91 VanDerWaalsContact O-N 3.12Å; K80-V93 HydrophobicContact CB-CG2 4.01Å |
| 81 | N | 85.4 | Confident | 78 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 147.3 | 171.8 | -160.1 | -19.7 | 0 | 0 | 0 | 111.4 | S88 N89 W90 L118 K119 G121 | N81-S88 PolarHBondContact ND2-OG 2.91Å; N81-S88 PolarHBondContact OD1-OG 2.72Å; N81-N89 WeakPolarHBondContact CA-O 3.19Å; N81-N89 PolarHBondContact OD1-N 2.96Å; N81-N89 PolarHBondContact OD1-O 3.15Å; N81-W90 HydrophobicContact CB-CD2 4.12Å; N81-W90 HydrophobicContact CB-CE3 3.89Å; N81-W90 HydrophobicContact CB-CH2 3.78Å; N81-W90 HydrophobicContact CB-CZ2 4.01Å; N81-W90 HydrophobicContact CB-CZ3 3.73Å; N81-W90 VanDerWaalsContact ND2-CZ2 3.29Å; N81-W90 WeakPolarHBondContact ND2-CZ2 3.5Å; N81-L118 PolarHBondContact ND2-O 3.46Å; N81-L118 VanDerWaalsContact ND2-O 3.1Å; N81-K119 PolarHBondContact ND2-O 2.91Å; N81-K119 VanDerWaalsContact ND2-O 3.17Å; N81-G121 WeakPolarHBondContact CB-O 3.08Å; N81-G121 PolarHBondContact N-O 2.66Å |
| 82 | E | 76.4 | Confident | 79.2 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 129.2 | 165 | 178.7 | 177.4 | -132.6 | 0 | 0 | 109.8 | R84 N89 F91 K100 | E82-R84 PolarHBondContact O-N 2.86Å; E82-N89 PolarHBondContact N-O 3.46Å; E82-N89 PolarHBondContact O-N 3.48Å; E82-F91 HydrophobicContact CB-CD1 4.48Å; E82-F91 HydrophobicContact CB-CE1 3.52Å; E82-F91 HydrophobicContact CB-CZ 4.19Å; E82-K100 IonicContact OE1-NZ 3.41Å; E82-K100 PolarHBondContact OE1-NZ 3.11Å; E82-K100 IonicContact OE2-NZ 2.67Å; E82-K100 PolarHBondContact OE2-NZ 3.41Å |
| 83 | I | 71.1 | Confident | 80.2 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 46% | 0.456 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 110.4 | 175.5 | -54.6 | 171.5 | 0 | 0 | 0 | 108.5 | V87 K119 D120 | I83-V87 WeakPolarHBondContact CA-O 3.43Å; I83-K119 HydrophobicContact CD1-CB 4.24Å; I83-K119 VanDerWaalsContact CD1-O 3.31Å; I83-K119 WeakPolarHBondContact CD1-O 3.24Å; I83-K119 WeakPolarHBondContact CG1-O 3.48Å; I83-D120 HydrophobicContact CD1-CB 4.35Å |
| 84 | R | 66.6 | Low | 79.8 | Confident | 167 Ų | 167 | 49.2 Ų | 49.2 | 63% | 0.63 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.4 | 167.5 | -101.2 | -173.3 | -172.8 | -138.4 | 1.9 | 109.5 | E82 S86 V87 | E82-R84 PolarHBondContact O-N 2.86Å; R84-S86 PolarHBondContact O-N 2.93Å; R84-V87 PolarHBondContact N-O 3.27Å; R84-V87 WeakPolarHBondContact O-CB 3.23Å; R84-V87 PolarHBondContact O-N 3.49Å |
| 85 | N | 68.5 | Low | 78.6 | Confident | 158 Ų | 158 | 52 Ų | 52 | 85% | 0.845 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 41.7 | 177.7 | -60 | -15.6 | 0 | 0 | 0 | 113.1 | V87 | N85-V87 PolarHBondContact O-N 2.92Š|
| 86 | S | 63.5 | Low | 76.8 | Confident | 123 Ų | 123 | 59.3 Ų | 59.3 | 86% | 0.86 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 12.3 | -176 | -50.7 | 0 | 0 | 0 | 0 | 115.4 | R84 | R84-S86 PolarHBondContact O-N 2.93Š|
| 87 | V | 66.4 | Low | 74.6 | Confident | 84 Ų | 84 | 61.1 Ų | 61.1 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.4 | 174.2 | -175 | 0 | 0 | 0 | 0 | 109.6 | I83 R84 N85 | I83-V87 WeakPolarHBondContact CA-O 3.43Å; R84-V87 PolarHBondContact N-O 3.27Å; R84-V87 WeakPolarHBondContact O-CB 3.23Å; R84-V87 PolarHBondContact O-N 3.49Å; N85-V87 PolarHBondContact O-N 2.92Å |
| 88 | S | 70 | Confident | 72.4 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 115.6 | 175.8 | 155 | 0 | 0 | 0 | 0 | 109.7 | N81 W90 | N81-S88 PolarHBondContact ND2-OG 2.91Å; N81-S88 PolarHBondContact OD1-OG 2.72Å; S88-W90 PolarHBondContact OG-NE1 3.34Å |
| 89 | N | 75.1 | Confident | 70.4 | Confident | 64 Ų | 64 | 78.6 Ų | 78.6 | 34% | 0.342 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.6 | 175.3 | -79.4 | -25.8 | 0 | 0 | 0 | 111.5 | N81 E82 | N81-N89 WeakPolarHBondContact CA-O 3.19Å; N81-N89 PolarHBondContact OD1-N 2.96Å; N81-N89 PolarHBondContact OD1-O 3.15Å; E82-N89 PolarHBondContact N-O 3.46Å; E82-N89 PolarHBondContact O-N 3.48Å |
| 90 | W | 80.1 | Confident | 68.6 | Low | 6 Ų | 6 | 82.7 Ų | 82.7 | 2% | 0.023 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.1 | 175.5 | -65.3 | 95.6 | 0 | 0 | 0 | 111.1 | N81 S88 W109 P114 G121 V123 S136 | N81-W90 HydrophobicContact CB-CD2 4.12Å; N81-W90 HydrophobicContact CB-CE3 3.89Å; N81-W90 HydrophobicContact CB-CH2 3.78Å; N81-W90 HydrophobicContact CB-CZ2 4.01Å; N81-W90 HydrophobicContact CB-CZ3 3.73Å; N81-W90 VanDerWaalsContact ND2-CZ2 3.29Å; N81-W90 WeakPolarHBondContact ND2-CZ2 3.5Å; S88-W90 PolarHBondContact OG-NE1 3.34Å; W90-W109 HydrophobicContact CB-CH2 4.43Å; W90-W109 HydrophobicContact CB-CZ2 3.97Å; W90-P114 HydrophobicContact CD2-CG 3.47Å; W90-P114 VanDerWaalsContact CD2-CG 3.47Å; W90-P114 HydrophobicContact CE3-CG 3.6Å; W90-P114 HydrophobicContact CG-CG 4.1Å; W90-P114 HydrophobicContact CH2-CG 3.87Å; W90-P114 HydrophobicContact CZ2-CG 3.74Å; W90-P114 HydrophobicContact CZ3-CG 3.79Å; W90-G121 WeakPolarHBondContact CZ3-O 3.26Å; W90-V123 HydrophobicContact CE3-CG2 3.71Å; W90-V123 HydrophobicContact CZ3-CG2 3.51Å; W90-S136 VanDerWaalsContact CH2-OG 3.3Å; W90-S136 WeakPolarHBondContact CH2-OG 3.35Å |
| 91 | F | 80.2 | Confident | 66.9 | Low | 12 Ų | 12 | 82.5 Ų | 82.5 | 5% | 0.053 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.8 | -179.4 | 61.5 | -80.4 | 0 | 0 | 0 | 111.9 | K80 E82 V93 K100 M101 | K80-F91 PolarHBondContact N-O 2.79Å; K80-F91 VanDerWaalsContact N-O 3.09Å; K80-F91 WeakPolarHBondContact O-CD1 3.47Å; K80-F91 PolarHBondContact O-N 3.45Å; K80-F91 VanDerWaalsContact O-N 3.12Å; E82-F91 HydrophobicContact CB-CD1 4.48Å; E82-F91 HydrophobicContact CB-CE1 3.52Å; E82-F91 HydrophobicContact CB-CZ 4.19Å; F91-V93 HydrophobicContact CD2-CG2 4.14Å; F91-V93 HydrophobicContact CE2-CG1 4.49Å; F91-V93 HydrophobicContact CE2-CG2 3.71Å; F91-K100 HydrophobicContact CB-CB 4.42Å; F91-K100 HydrophobicContact CD2-CB 3.71Å; F91-K100 HydrophobicContact CD2-CD 3.86Å; F91-K100 HydrophobicContact CD2-CG 3.65Å; F91-K100 HydrophobicContact CE1-CD 4.29Å; F91-K100 HydrophobicContact CE2-CB 4.22Å; F91-K100 HydrophobicContact CE2-CD 3.53Å; F91-K100 HydrophobicContact CE2-CG 3.63Å; F91-K100 HydrophobicContact CG-CB 4.13Å; F91-K100 HydrophobicContact CG-CD 4.36Å; F91-K100 HydrophobicContact CG-CG 4.41Å; F91-K100 HydrophobicContact CZ-CD 3.79Å; F91-K100 HydrophobicContact CZ-CG 4.39Å; F91-M101 WeakPolarHBondContact CA-O 3.37Å; F91-M101 WeakPolarHBondContact CB-O 3.25Å |
| 92 | W | 83.2 | Confident | 65.2 | Low | 2 Ų | 2 | 88.3 Ų | 88.3 | 1% | 0.008 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.5 | 170.5 | -66 | 103.1 | 0 | 0 | 0 | 109.9 | V41 I42 I77 A78 M101 W109 F134 | V41-W92 HydrophobicContact CB-CE3 4.19Å; V41-W92 HydrophobicContact CG1-CB 3.89Å; V41-W92 HydrophobicContact CG1-CD2 3.82Å; V41-W92 HydrophobicContact CG1-CE3 4Å; V41-W92 HydrophobicContact CG1-CG 3.76Å; V41-W92 HydrophobicContact CG2-CB 4.32Å; V41-W92 HydrophobicContact CG2-CE3 4.28Å; I42-W92 HydrophobicContact CB-CH2 3.54Å; I42-W92 HydrophobicContact CB-CZ2 3.87Å; I42-W92 HydrophobicContact CB-CZ3 4.33Å; I42-W92 HydrophobicContact CG1-CH2 3.92Å; I42-W92 HydrophobicContact CG1-CZ3 4.36Å; I42-W92 VanDerWaalsContact N-CH2 3.32Å; I42-W92 WeakPolarHBondContact O-CZ2 3.37Å; I77-W92 HydrophobicContact CB-CZ3 4.3Å; I77-W92 HydrophobicContact CD1-CH2 3.6Å; I77-W92 HydrophobicContact CD1-CZ3 3.87Å; I77-W92 HydrophobicContact CG1-CH2 4.34Å; I77-W92 HydrophobicContact CG1-CZ3 4.11Å; A78-W92 HydrophobicContact CB-CE3 3.97Å; A78-W92 HydrophobicContact CB-CZ3 4.41Å; A78-W92 WeakPolarHBondContact O-CA 3.39Å; W92-M101 HydrophobicContact CB-CE 4.2Å; W92-W109 HydrophobicContact CD2-CZ2 4.47Å; W92-W109 HydrophobicContact CZ2-CH2 4.17Å; W92-W109 HydrophobicContact CZ2-CZ2 4.45Å; W92-W109 HydrophobicContact CZ2-CZ3 4.33Å; W92-W109 AromaticContact NE1-CE2 3.96Å; W92-W109 AromaticContact NE1-CZ2 3.89Å; W92-F134 AromaticContact CH2-CE1 3.92Å; W92-F134 HydrophobicContact CH2-CE1 3.92Å; W92-F134 HydrophobicContact CH2-CZ 4.33Å; W92-F134 HydrophobicContact CZ2-CE1 4.24Å; W92-F134 HydrophobicContact CZ2-CZ 4.21Å |
| 93 | V | 79.9 | Confident | 63.9 | Low | 20 Ų | 20 | 90 Ų | 90 | 12% | 0.121 | 45% | 0.451 | C | S | . | . | trans | -92.4 | 127.2 | 176.8 | -150.9 | 0 | 0 | 0 | 0 | 109.7 | W25 R29 A78 K80 F91 | W25-V93 HydrophobicContact CH2-CG2 3.95Å; W25-V93 HydrophobicContact CZ2-CG2 4.15Å; R29-V93 VanDerWaalsContact CZ-CG1 3.47Å; A78-V93 PolarHBondContact O-N 3.5Å; K80-V93 HydrophobicContact CB-CG2 4.01Å; F91-V93 HydrophobicContact CD2-CG2 4.14Å; F91-V93 HydrophobicContact CE2-CG1 4.49Å; F91-V93 HydrophobicContact CE2-CG2 3.71Å | ||
| 94 | R | 71.6 | Confident | 62.9 | Low | 123 Ų | 123 | 90.3 Ų | 90.3 | 46% | 0.464 | 46% | 0.461 | S | S | . | . | trans | -117 | 161.2 | 174.4 | -79.3 | -168.4 | -179.4 | 165.7 | 5.2 | 111.2 | R29 V41 M101 | R29-R94 PolarHBondContact NH2-O 3.06Å; V41-R94 HydrophobicContact CG2-CG 4.05Å; R94-M101 HydrophobicContact CG-CE 4.02Å | ||
| 95 | L | 63.9 | Low | 61.9 | Low | 83 Ų | 83 | 86.7 Ų | 86.7 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -78.2 | -42.5 | -179.4 | -135.7 | 147.1 | 0 | 0 | 0 | 111.8 | I33 S37 D38 | I33-L95 HydrophobicContact CG1-CD1 3.9Å; S37-L95 VanDerWaalsContact O-CD1 3.32Å; S37-L95 WeakPolarHBondContact O-CD1 3.31Å; D38-L95 HydrophobicContact CB-CB 4.35Å; D38-L95 HydrophobicContact CB-CD1 3.79Å; D38-L95 PolarHBondContact OD2-N 3.02Å; D38-L95 VanDerWaalsContact OD2-N 3.16Å |
| 96 | D | 54 | Low | 60.9 | Low | 152 Ų | 152 | 87.7 Ų | 87.7 | 81% | 0.813 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -91 | -2.1 | -166.8 | -60.6 | -27.5 | 0 | 0 | 0 | 115 | ||
| 97 | S | 48.5 | Very low | 60.3 | Low | 39 Ų | 39 | 82.4 Ų | 82.4 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | trans | -136.1 | 120.3 | -178.1 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | Q99 | S97-Q99 PolarHBondContact O-N 3.14Å; S97-Q99 PolarHBondContact OG-O 3.39Å | ||
| 98 | E | 47.6 | Very low | 60 | Low | 209 Ų | 209 | 81 Ų | 81 | 98% | 0.977 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -56.8 | -10.6 | 157.7 | -70.7 | -167.1 | 166 | 0 | 0 | 111.6 | K100 | E98-K100 PolarHBondContact O-N 3.1Š|
| 99 | Q | 49.3 | Very low | 59.8 | Low | 158 Ų | 158 | 80 Ų | 80 | 74% | 0.738 | 39% | 0.393 | S | S | * | . | trans | -71.7 | 111.2 | 167.3 | -68 | 170.8 | -44.8 | 0 | 0 | 111.6 | S97 | S97-Q99 PolarHBondContact O-N 3.14Å; S97-Q99 PolarHBondContact OG-O 3.39Å | ||
| 100 | K | 51.2 | Low | 59.2 | Low | 86 Ų | 86 | 78.7 Ų | 78.7 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | trans | -74.5 | 124.4 | 162.1 | -64.2 | 173.8 | 174.2 | 173.4 | 0 | 108.8 | E82 F91 E98 K102 | E82-K100 IonicContact OE1-NZ 3.41Å; E82-K100 PolarHBondContact OE1-NZ 3.11Å; E82-K100 IonicContact OE2-NZ 2.67Å; E82-K100 PolarHBondContact OE2-NZ 3.41Å; F91-K100 HydrophobicContact CB-CB 4.42Å; F91-K100 HydrophobicContact CD2-CB 3.71Å; F91-K100 HydrophobicContact CD2-CD 3.86Å; F91-K100 HydrophobicContact CD2-CG 3.65Å; F91-K100 HydrophobicContact CE1-CD 4.29Å; F91-K100 HydrophobicContact CE2-CB 4.22Å; F91-K100 HydrophobicContact CE2-CD 3.53Å; F91-K100 HydrophobicContact CE2-CG 3.63Å; F91-K100 HydrophobicContact CG-CB 4.13Å; F91-K100 HydrophobicContact CG-CD 4.36Å; F91-K100 HydrophobicContact CG-CG 4.41Å; F91-K100 HydrophobicContact CZ-CD 3.79Å; F91-K100 HydrophobicContact CZ-CG 4.39Å; E98-K100 PolarHBondContact O-N 3.1Å; K100-K102 PolarHBondContact O-N 2.82Å | ||
| 101 | M | 52.5 | Low | 58.4 | Low | 43 Ų | 43 | 84.6 Ų | 84.6 | 21% | 0.212 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 105.4 | 172 | -78.3 | -179.2 | -74.7 | 0 | 0 | 109.5 | V41 F91 W92 R94 | V41-M101 HydrophobicContact CG1-CE 4.35Å; F91-M101 WeakPolarHBondContact CA-O 3.37Å; F91-M101 WeakPolarHBondContact CB-O 3.25Å; W92-M101 HydrophobicContact CB-CE 4.2Å; R94-M101 HydrophobicContact CG-CE 4.02Å |
| 102 | K | 50.1 | Low | 57.7 | Low | 127 Ų | 127 | 86.6 Ų | 86.6 | 55% | 0.552 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 160.5 | 178.5 | -67.5 | -179.4 | -177.8 | 174.4 | 0 | 111.1 | K100 S104 D105 A107 | K100-K102 PolarHBondContact O-N 2.82Å; K102-S104 PolarHBondContact O-N 3.19Å; K102-D105 PolarHBondContact O-N 3.36Å; K102-A107 WeakPolarHBondContact O-CB 3.34Å |
| 103 | E | 48.8 | Very low | 56.9 | Low | 100 Ų | 100 | 87.9 Ų | 87.9 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -28.5 | 174.3 | -160.9 | 169.6 | -167.8 | 0 | 0 | 113.5 | ||
| 104 | S | 49.2 | Very low | 56.1 | Low | 94 Ų | 94 | 86.9 Ų | 86.9 | 66% | 0.657 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -23.5 | 176.9 | 59.2 | 0 | 0 | 0 | 0 | 115.3 | K102 H106 | K102-S104 PolarHBondContact O-N 3.19Å; S104-H106 PolarHBondContact O-N 2.85Å |
| 105 | D | 45.8 | Very low | 55.8 | Low | 91 Ų | 91 | 83.4 Ų | 83.4 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 44 | -161.4 | -63.8 | -6 | 0 | 0 | 0 | 112.6 | K102 | K102-D105 PolarHBondContact O-N 3.36Š|
| 106 | H | 47.5 | Very low | 55.6 | Low | 179 Ų | 179 | 84.1 Ų | 84.1 | 83% | 0.829 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 20.2 | -176.6 | -46.3 | -79.6 | 0 | 0 | 0 | 115.8 | S104 F108 | S104-H106 PolarHBondContact O-N 2.85Å; H106-F108 PolarHBondContact O-N 3.41Å |
| 107 | A | 52.4 | Low | 56 | Low | 12 Ų | 12 | 83.7 Ų | 83.7 | 10% | 0.099 | 43% | 0.43 | C | S | . | . | trans | -72.1 | 109.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | K102 W109 | K102-A107 WeakPolarHBondContact O-CB 3.34Å; A107-W109 PolarHBondContact O-N 3.3Å | ||
| 108 | F | 59.4 | Low | 56.8 | Low | 54 Ų | 54 | 85.4 Ų | 85.4 | 24% | 0.237 | 44% | 0.436 | C | S | . | . | trans | -68.9 | 99.8 | 177 | 177.2 | -97.6 | 0 | 0 | 0 | 110.7 | A43 R45 H106 E110 F134 | A43-F108 WeakPolarHBondContact O-CB 3.45Å; R45-F108 HydrophobicContact CB-CE2 4.4Å; R45-F108 HydrophobicContact CB-CZ 3.95Å; H106-F108 PolarHBondContact O-N 3.41Å; F108-E110 HydrophobicContact CE1-CG 4.21Å; F108-E110 HydrophobicContact CE2-CG 4.45Å; F108-E110 HydrophobicContact CZ-CG 3.79Å; F108-F134 HydrophobicContact CD1-CE2 4.27Å; F108-F134 HydrophobicContact CD1-CZ 4.39Å; F108-F134 HydrophobicContact CE1-CE2 4.25Å | ||
| 109 | W | 65.3 | Low | 57.7 | Low | 27 Ų | 27 | 83.5 Ų | 83.5 | 10% | 0.102 | 43% | 0.425 | C | S | . | . | trans | -118 | 124.2 | 165 | -57.8 | 102.3 | 0 | 0 | 0 | 107.3 | W90 W92 A107 P114 V123 F134 | W90-W109 HydrophobicContact CB-CH2 4.43Å; W90-W109 HydrophobicContact CB-CZ2 3.97Å; W92-W109 HydrophobicContact CD2-CZ2 4.47Å; W92-W109 HydrophobicContact CZ2-CH2 4.17Å; W92-W109 HydrophobicContact CZ2-CZ2 4.45Å; W92-W109 HydrophobicContact CZ2-CZ3 4.33Å; W92-W109 AromaticContact NE1-CE2 3.96Å; W92-W109 AromaticContact NE1-CZ2 3.89Å; A107-W109 PolarHBondContact O-N 3.3Å; W109-P114 HydrophobicContact CZ3-CG 4.35Å; W109-V123 HydrophobicContact CH2-CG2 3.95Å; W109-V123 HydrophobicContact CZ3-CG1 4.32Å; W109-V123 HydrophobicContact CZ3-CG2 4.05Å; W109-F134 HydrophobicContact CE3-CD2 4.4Å | ||
| 110 | E | 62.6 | Low | 58.8 | Low | 36 Ų | 36 | 81 Ų | 81 | 17% | 0.168 | 42% | 0.416 | C | S | . | . | trans | -67.9 | 149 | 171.9 | -73.9 | -171.7 | 157.7 | 0 | 0 | 109.7 | R45 F108 G112 H113 | R45-E110 IonicContact CZ-OE1 2.87Å; R45-E110 IonicContact NE-OE1 3.48Å; R45-E110 IonicContact NH2-OE1 2.6Å; R45-E110 PolarHBondContact NH2-OE1 3.12Å; F108-E110 HydrophobicContact CE1-CG 4.21Å; F108-E110 HydrophobicContact CE2-CG 4.45Å; F108-E110 HydrophobicContact CZ-CG 3.79Å; E110-G112 PolarHBondContact O-N 3.27Å; E110-H113 VanDerWaalsContact O-CB 3.31Å; E110-H113 WeakPolarHBondContact O-CB 3.47Å; E110-H113 PolarHBondContact O-N 3.48Å; E110-H113 IonicContact OE2-CE1 3.79Å | ||
| 111 | P | 64.3 | Low | 60.4 | Low | 129 Ų | 129 | 77 Ų | 77 | 84% | 0.838 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 131.7 | 174.6 | -26.3 | 34.2 | 0 | 0 | 0 | 111.1 | H113 | P111-H113 VanDerWaalsContact C-N 3.33Å; P111-H113 PolarHBondContact O-N 3.44Å; P111-H113 PolarHBondContact O-ND1 3.23Å |
| 112 | G | 64.8 | Low | 62.3 | Low | 55 Ų | 55 | 74.9 Ų | 74.9 | 57% | 0.567 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -3.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | E110 | E110-G112 PolarHBondContact O-N 3.27Š|
| 113 | H | 66 | Low | 64.2 | Low | 28 Ų | 28 | 68.9 Ų | 68.9 | 13% | 0.13 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 158.4 | 178.5 | -67.4 | 78.4 | 0 | 0 | 0 | 113 | E110 P111 V133 F134 | E110-H113 VanDerWaalsContact O-CB 3.31Å; E110-H113 WeakPolarHBondContact O-CB 3.47Å; E110-H113 PolarHBondContact O-N 3.48Å; E110-H113 IonicContact OE2-CE1 3.79Å; P111-H113 VanDerWaalsContact C-N 3.33Å; P111-H113 PolarHBondContact O-N 3.44Å; P111-H113 PolarHBondContact O-ND1 3.23Å; H113-V133 WeakPolarHBondContact NE2-CG1 3.34Å; H113-F134 HydrophobicContact CB-CB 4.25Å; H113-F134 HydrophobicContact CB-CD2 4.1Å; H113-F134 PolarHBondContact CD2-O 2.98Å |
| 114 | P | 64.5 | Low | 66.2 | Low | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | cis | -61.2 | 142.3 | -15.4 | 27.2 | -32 | 0 | 0 | 0 | 111 | W90 W109 R117 V123 F134 | W90-P114 HydrophobicContact CD2-CG 3.47Å; W90-P114 VanDerWaalsContact CD2-CG 3.47Å; W90-P114 HydrophobicContact CE3-CG 3.6Å; W90-P114 HydrophobicContact CG-CG 4.1Å; W90-P114 HydrophobicContact CH2-CG 3.87Å; W90-P114 HydrophobicContact CZ2-CG 3.74Å; W90-P114 HydrophobicContact CZ3-CG 3.79Å; W109-P114 HydrophobicContact CZ3-CG 4.35Å; P114-R117 WeakPolarHBondContact O-CG 3.44Å; P114-V123 HydrophobicContact CB-CG1 4.39Å; P114-V123 HydrophobicContact CB-CG2 4.18Å; P114-V123 HydrophobicContact CG-CG2 4.15Å; P114-F134 CarbonylContact C-O 3.56Å; P114-F134 WeakPolarHBondContact CA-O 3.1Å; P114-F134 HydrophobicContact CB-CB 4.16Å |
| 115 | N | 63.9 | Low | 68.1 | Low | 49 Ų | 49 | 59.6 Ų | 59.6 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -70.4 | 154.6 | 179.2 | 72.5 | 6.2 | 0 | 0 | 0 | 110.2 | V133 F134 R135 S136 | N115-V133 VanDerWaalsContact ND2-CG1 3.26Å; N115-V133 WeakPolarHBondContact ND2-CG1 3.45Å; N115-F134 PolarHBondContact N-O 3.1Å; N115-F134 PolarHBondContact OD1-O 3.19Å; N115-R135 WeakPolarHBondContact OD1-CA 3.3Å; N115-R135 VanDerWaalsContact OD1-CB 3.22Å; N115-R135 WeakPolarHBondContact OD1-CB 3.33Å; N115-R135 WeakPolarHBondContact OD1-CG 3.26Å; N115-S136 WeakPolarHBondContact O-CB 3.45Å; N115-S136 PolarHBondContact O-N 3.06Å |
| 116 | N | 60.1 | Low | 69.9 | Low | 99 Ų | 99 | 55.4 Ų | 55.4 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 56 | 53.1 | -174.5 | -62.4 | -6.8 | 0 | 0 | 0 | 113.7 | L118 R135 S136 | N116-L118 VanDerWaalsContact C-N 3.26Å; N116-L118 PolarHBondContact O-N 3.21Å; N116-R135 PolarHBondContact ND2-NH2 3.44Å; N116-S136 VanDerWaalsContact O-CB 3.31Å; N116-S136 WeakPolarHBondContact O-CB 3.29Å; N116-S136 PolarHBondContact O-OG 3.01Å |
| 117 | R | 62.5 | Low | 71.3 | Confident | 143 Ų | 143 | 47.4 Ų | 47.4 | 54% | 0.54 | 25% | 0.25 | S | S | . | . | trans | -48.9 | 76.7 | -177 | -64.9 | -177.8 | 174.8 | -161.4 | -8.2 | 114 | P114 K119 | P114-R117 WeakPolarHBondContact O-CG 3.44Å; R117-K119 PolarHBondContact O-N 3.33Å | ||
| 118 | L | 65 | Low | 72 | Confident | 74 Ų | 74 | 52.4 Ų | 52.4 | 39% | 0.387 | 27% | 0.272 | S | S | . | . | trans | -62.1 | 137.2 | 170.8 | -80.2 | 115.7 | 0 | 0 | 0 | 107.6 | N81 N116 D120 S136 | N81-L118 PolarHBondContact ND2-O 3.46Å; N81-L118 VanDerWaalsContact ND2-O 3.1Å; N116-L118 VanDerWaalsContact C-N 3.26Å; N116-L118 PolarHBondContact O-N 3.21Å; L118-D120 PolarHBondContact O-N 2.73Å; L118-S136 WeakPolarHBondContact CB-OG 3.46Å; L118-S136 WeakPolarHBondContact CD1-O 3.42Å; L118-S136 WeakPolarHBondContact CD1-OG 3.41Å; L118-S136 PolarHBondContact N-OG 2.91Å | ||
| 119 | K | 66.8 | Low | 72.4 | Confident | 170 Ų | 170 | 52.3 Ų | 52.3 | 74% | 0.739 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -60.9 | -32 | -178.6 | -69.6 | -176.1 | 178.1 | 179.3 | 0 | 112.1 | N81 I83 R117 | N81-K119 PolarHBondContact ND2-O 2.91Å; N81-K119 VanDerWaalsContact ND2-O 3.17Å; I83-K119 HydrophobicContact CD1-CB 4.24Å; I83-K119 VanDerWaalsContact CD1-O 3.31Å; I83-K119 WeakPolarHBondContact CD1-O 3.24Å; I83-K119 WeakPolarHBondContact CG1-O 3.48Å; R117-K119 PolarHBondContact O-N 3.33Å |
| 120 | D | 71.9 | Confident | 72.6 | Confident | 106 Ų | 106 | 53 Ų | 53 | 57% | 0.567 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -134 | 89.7 | 176 | -166.1 | 7.4 | 0 | 0 | 0 | 109.3 | I83 L118 | I83-D120 HydrophobicContact CD1-CB 4.35Å; L118-D120 PolarHBondContact O-N 2.73Å |
| 121 | G | 85.4 | Confident | 73.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -144 | 158.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N81 W90 C139 | N81-G121 WeakPolarHBondContact CB-O 3.08Å; N81-G121 PolarHBondContact N-O 2.66Å; W90-G121 WeakPolarHBondContact CZ3-O 3.26Å; G121-C139 VanDerWaalsContact C-SG 3.58Å | ||
| 122 | C | 91.3 | Very high | 73.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 155.5 | 175.8 | -71.5 | 0 | 0 | 0 | 0 | 109.5 | W25 W76 S136 V137 C139 | W25-C122 HydrophobicContact CB-CB 3.9Å; W25-C122 VanDerWaalsContact CB-SG 3.59Å; W25-C122 HydrophobicContact CD2-CB 4.25Å; W25-C122 VanDerWaalsContact CD2-SG 3.54Å; W25-C122 HydrophobicContact CG-CB 3.62Å; W76-C122 HydrophobicContact CE3-CB 4.1Å; W76-C122 HydrophobicContact CH2-CB 3.81Å; W76-C122 HydrophobicContact CZ3-CB 3.46Å; W76-C122 VanDerWaalsContact CZ3-CB 3.46Å; C122-S136 WeakPolarHBondContact O-CA 3.36Å; C122-V137 PolarHBondContact N-O 2.64Å; C122-V137 PolarHBondContact O-N 3.45Å; C122-C139 HydrophobicContact CB-CB 4Å; C122-C139 WeakPolarHBondContact CB-SG 3.45Å; C122-C139 PolarHBondContact N-SG 3.32Å; C122-C139 WeakPolarHBondContact SG-CB 3.44Å; C122-C139 CovalentContact SG-SG 2.04Å; C122-C139 PolarHBondContact SG-SG 2.8Å |
| 123 | V | 91.4 | Very high | 74 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.9 | -175.2 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | I77 G79 W90 W109 P114 F134 R135 | I77-V123 HydrophobicContact CD1-CB 4.47Å; I77-V123 HydrophobicContact CD1-CG1 3.79Å; I77-V123 HydrophobicContact CG1-CB 4.18Å; I77-V123 HydrophobicContact CG1-CG1 3.99Å; I77-V123 VanDerWaalsContact CG1-O 3.26Å; I77-V123 WeakPolarHBondContact CG1-O 3.36Å; I77-V123 PolarHBondContact N-O 3.22Å; G79-V123 PolarHBondContact O-N 3.23Å; W90-V123 HydrophobicContact CE3-CG2 3.71Å; W90-V123 HydrophobicContact CZ3-CG2 3.51Å; W109-V123 HydrophobicContact CH2-CG2 3.95Å; W109-V123 HydrophobicContact CZ3-CG1 4.32Å; W109-V123 HydrophobicContact CZ3-CG2 4.05Å; P114-V123 HydrophobicContact CB-CG1 4.39Å; P114-V123 HydrophobicContact CB-CG2 4.18Å; P114-V123 HydrophobicContact CG-CG2 4.15Å; V123-F134 HydrophobicContact CG1-CB 3.87Å; V123-F134 HydrophobicContact CG1-CD1 4.07Å; V123-F134 HydrophobicContact CG1-CG 4.36Å; V123-R135 WeakPolarHBondContact CA-O 3.45Å |
| 124 | A | 91.2 | Very high | 74.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 155.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L74 V75 W76 R135 V137 | L74-A124 HydrophobicContact CB-CB 4.04Å; L74-A124 HydrophobicContact CD2-CB 4.03Å; V75-A124 CarbonylContact O-C 3.54Å; V75-A124 WeakPolarHBondContact O-CA 3.37Å; V75-A124 WeakPolarHBondContact O-CB 3.48Å; W76-A124 HydrophobicContact CD2-CB 4.29Å; W76-A124 HydrophobicContact CE3-CB 3.55Å; W76-A124 HydrophobicContact CZ3-CB 3.79Å; A124-R135 PolarHBondContact N-O 3.45Å; A124-R135 PolarHBondContact O-N 3.39Å; A124-V137 HydrophobicContact CB-CG2 4.49Å |
| 125 | L | 88.2 | Confident | 76 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 134.3 | 167.6 | -58.4 | 174.5 | 0 | 0 | 0 | 109.7 | I42 I51 L74 V75 I77 Y131 F134 | I42-L125 HydrophobicContact CD1-CD1 4.03Å; I42-L125 HydrophobicContact CD1-CD2 4.42Å; I51-L125 HydrophobicContact CG2-CD1 3.49Å; I51-L125 VanDerWaalsContact CG2-CD1 3.49Å; L74-L125 CarbonylContact C-O 3.52Å; L74-L125 WeakPolarHBondContact CA-O 3.42Å; V75-L125 HydrophobicContact CB-CB 4.44Å; V75-L125 PolarHBondContact N-O 3.33Å; V75-L125 PolarHBondContact O-N 2.96Å; I77-L125 HydrophobicContact CD1-CD2 4.14Å; I77-L125 HydrophobicContact CD1-CG 4.25Å; I77-L125 HydrophobicContact CG2-CD1 4.1Å; I77-L125 HydrophobicContact CG2-CG 4.11Å; L125-Y131 HydrophobicContact CB-CD1 4.12Å; L125-F134 HydrophobicContact CD2-CD1 3.74Å; L125-F134 HydrophobicContact CD2-CE1 4.01Å |
| 126 | S | 83.8 | Confident | 77.1 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.7 | -178.9 | 176.4 | 0 | 0 | 0 | 0 | 112.6 | E128 T129 Y131 | S126-E128 PolarHBondContact O-N 3.45Å; S126-E128 WeakPolarHBondContact OG-CG 3.41Å; S126-E128 PolarHBondContact OG-N 3.35Å; S126-E128 PolarHBondContact OG-OE2 3.29Å; S126-T129 PolarHBondContact O-N 2.96Å; S126-T129 PolarHBondContact O-OG1 3.2Å; S126-Y131 WeakPolarHBondContact O-CA 3.42Å; S126-Y131 PolarHBondContact O-N 3.33Å |
| 127 | S | 77.3 | Confident | 78.4 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -60.9 | -25.2 | 174.1 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | Q73 T129 A130 Y131 | Q73-S127 PolarHBondContact N-OG 3.41Å; Q73-S127 WeakPolarHBondContact O-CB 3.42Å; Q73-S127 PolarHBondContact O-N 3.41Å; S127-T129 PolarHBondContact O-N 3.19Å; S127-A130 PolarHBondContact O-N 2.98Å; S127-Y131 WeakPolarHBondContact CB-OH 3.18Å |
| 128 | E | 67.4 | Low | 79.7 | Confident | 117 Ų | 117 | 39.2 Ų | 39.2 | 55% | 0.547 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -58 | -31.7 | -179.7 | -64.2 | 161.4 | 154.7 | 0 | 0 | 112.3 | A72 S126 R135 | A72-E128 HydrophobicContact CB-CG 3.84Å; S126-E128 PolarHBondContact O-N 3.45Å; S126-E128 WeakPolarHBondContact OG-CG 3.41Å; S126-E128 PolarHBondContact OG-N 3.35Å; S126-E128 PolarHBondContact OG-OE2 3.29Å; E128-R135 IonicContact OE2-NH1 3.89Å |
| 129 | T | 67.5 | Low | 80.9 | Confident | 53 Ų | 53 | 36.6 Ų | 36.6 | 33% | 0.325 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -106 | 21.9 | -179.8 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | S126 S127 Y131 G132 V133 | S126-T129 PolarHBondContact O-N 2.96Å; S126-T129 PolarHBondContact O-OG1 3.2Å; S127-T129 PolarHBondContact O-N 3.19Å; T129-Y131 PolarHBondContact O-N 3.11Å; T129-G132 PolarHBondContact O-N 3.36Å; T129-G132 PolarHBondContact OG1-N 3.4Å; T129-V133 HydrophobicContact CG2-CB 3.82Å; T129-V133 HydrophobicContact CG2-CG2 3.65Å; T129-V133 WeakPolarHBondContact OG1-CB 3.3Å; T129-V133 PolarHBondContact OG1-N 3.38Å; T129-V133 VanDerWaalsContact OG1-N 3.09Å |
| 130 | A | 69 | Low | 82 | Confident | 40 Ų | 40 | 32 Ų | 32 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 35.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S127 G132 | S127-A130 PolarHBondContact O-N 2.98Å; A130-G132 VanDerWaalsContact C-N 3.26Å; A130-G132 PolarHBondContact O-N 2.9Å |
| 131 | Y | 74 | Confident | 82.9 | Confident | 10 Ų | 10 | 29.1 Ų | 29.1 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 22.7 | -176.9 | -48.7 | -80.5 | 0 | 0 | 0 | 114.4 | T55 R56 Q73 V75 L125 S126 S127 T129 | T55-Y131 HydrophobicContact CG2-CD1 3.62Å; T55-Y131 HydrophobicContact CG2-CD2 3.52Å; T55-Y131 HydrophobicContact CG2-CE1 3.55Å; T55-Y131 HydrophobicContact CG2-CE2 3.45Å; T55-Y131 VanDerWaalsContact CG2-CE2 3.45Å; T55-Y131 HydrophobicContact CG2-CG 3.6Å; T55-Y131 VanDerWaalsContact CG2-CZ 3.45Å; R56-Y131 HydrophobicContact CG-CD2 4.06Å; R56-Y131 HydrophobicContact CG-CE2 4.32Å; Q73-Y131 WeakPolarHBondContact O-CE1 3.47Å; V75-Y131 HydrophobicContact CG2-CD1 4.07Å; V75-Y131 HydrophobicContact CG2-CE1 3.85Å; L125-Y131 HydrophobicContact CB-CD1 4.12Å; S126-Y131 WeakPolarHBondContact O-CA 3.42Å; S126-Y131 PolarHBondContact O-N 3.33Å; S127-Y131 WeakPolarHBondContact CB-OH 3.18Å; T129-Y131 PolarHBondContact O-N 3.11Å |
| 132 | G | 72.6 | Confident | 83.2 | Confident | 12 Ų | 12 | 35.4 Ų | 35.4 | 12% | 0.124 | 19% | 0.191 | C | C | . | . | trans | -85.2 | -15.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R48 T129 A130 | R48-G132 WeakPolarHBondContact CD-O 3.35Å; R48-G132 PolarHBondContact NH1-O 3.34Å; T129-G132 PolarHBondContact O-N 3.36Å; T129-G132 PolarHBondContact OG1-N 3.4Å; A130-G132 VanDerWaalsContact C-N 3.26Å; A130-G132 PolarHBondContact O-N 2.9Å | ||
| 133 | V | 75.4 | Confident | 83.2 | Confident | 20 Ų | 20 | 35.5 Ų | 35.5 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -115.8 | 136.1 | -172.9 | 164.1 | 0 | 0 | 0 | 0 | 112.3 | H113 N115 T129 | H113-V133 WeakPolarHBondContact NE2-CG1 3.34Å; N115-V133 VanDerWaalsContact ND2-CG1 3.26Å; N115-V133 WeakPolarHBondContact ND2-CG1 3.45Å; T129-V133 HydrophobicContact CG2-CB 3.82Å; T129-V133 HydrophobicContact CG2-CG2 3.65Å; T129-V133 WeakPolarHBondContact OG1-CB 3.3Å; T129-V133 PolarHBondContact OG1-N 3.38Å; T129-V133 VanDerWaalsContact OG1-N 3.09Å |
| 134 | F | 84.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 119.3 | 170.4 | -58 | -59.3 | 0 | 0 | 0 | 110.9 | I42 I77 W92 F108 W109 H113 P114 N115 V123 L125 | I42-F134 HydrophobicContact CB-CE1 3.97Å; I42-F134 HydrophobicContact CB-CZ 3.93Å; I42-F134 HydrophobicContact CD1-CE1 3.98Å; I42-F134 HydrophobicContact CG1-CE1 4.35Å; I42-F134 HydrophobicContact CG2-CE1 4.16Å; I42-F134 HydrophobicContact CG2-CZ 3.79Å; I77-F134 HydrophobicContact CD1-CD1 3.5Å; I77-F134 HydrophobicContact CD1-CE1 3.56Å; W92-F134 AromaticContact CH2-CE1 3.92Å; W92-F134 HydrophobicContact CH2-CE1 3.92Å; W92-F134 HydrophobicContact CH2-CZ 4.33Å; W92-F134 HydrophobicContact CZ2-CE1 4.24Å; W92-F134 HydrophobicContact CZ2-CZ 4.21Å; F108-F134 HydrophobicContact CD1-CE2 4.27Å; F108-F134 HydrophobicContact CD1-CZ 4.39Å; F108-F134 HydrophobicContact CE1-CE2 4.25Å; W109-F134 HydrophobicContact CE3-CD2 4.4Å; H113-F134 HydrophobicContact CB-CB 4.25Å; H113-F134 HydrophobicContact CB-CD2 4.1Å; H113-F134 PolarHBondContact CD2-O 2.98Å; P114-F134 CarbonylContact C-O 3.56Å; P114-F134 WeakPolarHBondContact CA-O 3.1Å; P114-F134 HydrophobicContact CB-CB 4.16Å; N115-F134 PolarHBondContact N-O 3.1Å; N115-F134 PolarHBondContact OD1-O 3.19Å; V123-F134 HydrophobicContact CG1-CB 3.87Å; V123-F134 HydrophobicContact CG1-CD1 4.07Å; V123-F134 HydrophobicContact CG1-CG 4.36Å; L125-F134 HydrophobicContact CD2-CD1 3.74Å; L125-F134 HydrophobicContact CD2-CE1 4.01Å |
| 135 | R | 85.8 | Confident | 83.4 | Confident | 72 Ų | 72 | 36.1 Ų | 36.1 | 27% | 0.272 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.5 | 177.7 | -175.8 | 172.5 | -178.3 | 114.7 | 1.2 | 111.7 | N115 N116 V123 A124 E128 V137 | N115-R135 WeakPolarHBondContact OD1-CA 3.3Å; N115-R135 VanDerWaalsContact OD1-CB 3.22Å; N115-R135 WeakPolarHBondContact OD1-CB 3.33Å; N115-R135 WeakPolarHBondContact OD1-CG 3.26Å; N116-R135 PolarHBondContact ND2-NH2 3.44Å; V123-R135 WeakPolarHBondContact CA-O 3.45Å; A124-R135 PolarHBondContact N-O 3.45Å; A124-R135 PolarHBondContact O-N 3.39Å; E128-R135 IonicContact OE2-NH1 3.89Å; R135-V137 HydrophobicContact CB-CG2 4.4Å; R135-V137 HydrophobicContact CG-CG2 3.81Å |
| 136 | S | 87 | Confident | 83.6 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126.7 | 169.1 | 165.6 | 0 | 0 | 0 | 0 | 109.2 | W90 N115 N116 L118 C122 | W90-S136 VanDerWaalsContact CH2-OG 3.3Å; W90-S136 WeakPolarHBondContact CH2-OG 3.35Å; N115-S136 WeakPolarHBondContact O-CB 3.45Å; N115-S136 PolarHBondContact O-N 3.06Å; N116-S136 VanDerWaalsContact O-CB 3.31Å; N116-S136 WeakPolarHBondContact O-CB 3.29Å; N116-S136 PolarHBondContact O-OG 3.01Å; L118-S136 WeakPolarHBondContact CB-OG 3.46Å; L118-S136 WeakPolarHBondContact CD1-O 3.42Å; L118-S136 WeakPolarHBondContact CD1-OG 3.41Å; L118-S136 PolarHBondContact N-OG 2.91Å; C122-S136 WeakPolarHBondContact O-CA 3.36Å |
| 137 | V | 88.2 | Confident | 84.1 | Confident | 17 Ų | 17 | 36.1 Ų | 36.1 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 149.7 | -178.7 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | L74 W76 C122 A124 R135 C139 T141 | L74-V137 HydrophobicContact CD1-CB 4.48Å; L74-V137 HydrophobicContact CD1-CG1 3.94Å; L74-V137 HydrophobicContact CD1-CG2 3.96Å; L74-V137 HydrophobicContact CD2-CG2 4.14Å; W76-V137 HydrophobicContact CH2-CB 3.75Å; W76-V137 HydrophobicContact CH2-CG1 4.06Å; W76-V137 HydrophobicContact CZ3-CB 4.08Å; C122-V137 PolarHBondContact N-O 2.64Å; C122-V137 PolarHBondContact O-N 3.45Å; A124-V137 HydrophobicContact CB-CG2 4.49Å; R135-V137 HydrophobicContact CB-CG2 4.4Å; R135-V137 HydrophobicContact CG-CG2 3.81Å; V137-C139 PolarHBondContact O-N 2.92Å; V137-T141 HydrophobicContact CG1-CG2 3.94Å; V137-T141 WeakPolarHBondContact CG1-OG1 3.38Å |
| 138 | E | 88.9 | Confident | 84.7 | Confident | 117 Ų | 117 | 37.6 Ų | 37.6 | 55% | 0.547 | 20% | 0.2 | S | C | . | . | trans | -58 | 127.8 | 175.4 | -158.5 | 177.3 | -172.5 | 0 | 0 | 110.2 | S140 T141 | E138-S140 WeakPolarHBondContact CG-OG 3.33Å; E138-S140 PolarHBondContact O-N 3.2Å; E138-T141 VanDerWaalsContact O-CB 3.23Å; E138-T141 WeakPolarHBondContact O-CB 3.5Å; E138-T141 PolarHBondContact O-N 2.98Å; E138-T141 PolarHBondContact O-OG1 3.39Å | ||
| 139 | C | 90.9 | Very high | 85.6 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 12% | 0.122 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.9 | -171.8 | -61.8 | 0 | 0 | 0 | 0 | 113.7 | T24 W25 G121 C122 V137 T141 | T24-C139 WeakPolarHBondContact CB-O 3.47Å; W25-C139 HydrophobicContact CB-CB 4.31Å; W25-C139 PolarHBondContact N-O 3.04Å; G121-C139 VanDerWaalsContact C-SG 3.58Å; C122-C139 HydrophobicContact CB-CB 4Å; C122-C139 WeakPolarHBondContact CB-SG 3.45Å; C122-C139 PolarHBondContact N-SG 3.32Å; C122-C139 WeakPolarHBondContact SG-CB 3.44Å; C122-C139 CovalentContact SG-SG 2.04Å; C122-C139 PolarHBondContact SG-SG 2.8Å; V137-C139 PolarHBondContact O-N 2.92Å; C139-T141 VanDerWaalsContact C-N 3.25Å; C139-T141 PolarHBondContact O-N 3.45Å |
| 140 | S | 90.1 | Very high | 86 | Confident | 73 Ų | 73 | 35.7 Ų | 35.7 | 51% | 0.51 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11.3 | 173.9 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | T24 E138 | T24-S140 WeakPolarHBondContact CG2-O 3.4Å; E138-S140 WeakPolarHBondContact CG-OG 3.33Å; E138-S140 PolarHBondContact O-N 3.2Å |
| 141 | T | 91.2 | Very high | 85.6 | Confident | 46 Ų | 46 | 36.8 Ų | 36.8 | 28% | 0.282 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -70.5 | 137 | -178.7 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | L74 W76 V137 E138 C139 A143 | L74-T141 HydrophobicContact CD1-CG2 4.14Å; W76-T141 VanDerWaalsContact CZ2-O 3.25Å; W76-T141 WeakPolarHBondContact CZ2-O 3.36Å; W76-T141 PolarHBondContact NE1-O 3.29Å; V137-T141 HydrophobicContact CG1-CG2 3.94Å; V137-T141 WeakPolarHBondContact CG1-OG1 3.38Å; E138-T141 VanDerWaalsContact O-CB 3.23Å; E138-T141 WeakPolarHBondContact O-CB 3.5Å; E138-T141 PolarHBondContact O-N 2.98Å; E138-T141 PolarHBondContact O-OG1 3.39Å; C139-T141 VanDerWaalsContact C-N 3.25Å; C139-T141 PolarHBondContact O-N 3.45Å; T141-A143 PolarHBondContact O-N 2.96Å |
| 142 | K | 92 | Very high | 84.7 | Confident | 133 Ų | 133 | 39 Ų | 39 | 58% | 0.578 | 21% | 0.209 | S | C | * | . | trans | -84.6 | 113.1 | 177.4 | -68.3 | -167.9 | 176.7 | -174.9 | 0 | 111.3 | K22 S23 | K22-K142 HydrophobicContact CB-CB 3.99Å; S23-K142 WeakPolarHBondContact O-CA 3.43Å | ||
| 143 | A | 90.7 | Very high | 83.2 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 160.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K22 S23 L74 W76 T141 | K22-A143 CarbonylContact C-O 3.57Å; K22-A143 VanDerWaalsContact CA-O 3.3Å; K22-A143 WeakPolarHBondContact CA-O 3.31Å; S23-A143 PolarHBondContact N-O 3.28Å; S23-A143 PolarHBondContact O-N 3.07Å; L74-A143 HydrophobicContact CB-CB 3.49Å; L74-A143 VanDerWaalsContact CB-CB 3.49Å; L74-A143 WeakPolarHBondContact O-CB 3.33Å; W76-A143 HydrophobicContact CD2-CB 4.11Å; W76-A143 HydrophobicContact CG-CB 4.03Å; W76-A143 HydrophobicContact CZ2-CB 4.48Å; T141-A143 PolarHBondContact O-N 2.96Å |
| 144 | M | 92.6 | Very high | 81.1 | Confident | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 166.1 | 167.5 | -64.4 | 178.3 | -75.1 | 0 | 0 | 108.8 | F19 K22 V59 Q73 L74 V75 W76 | F19-M144 WeakPolarHBondContact O-CB 3.49Å; K22-M144 HydrophobicContact CG-CG 4.48Å; V59-M144 HydrophobicContact CG2-CE 3.77Å; V59-M144 HydrophobicContact CG2-SD 3.99Å; Q73-M144 HydrophobicContact CB-CE 3.87Å; Q73-M144 VanDerWaalsContact OE1-CE 3.28Å; L74-M144 PolarHBondContact O-N 2.85Å; V75-M144 CarbonylContact C-O 3.54Å; V75-M144 VanDerWaalsContact CA-O 3.29Å; V75-M144 WeakPolarHBondContact CA-O 3.39Å; V75-M144 HydrophobicContact CG2-CB 4.18Å; V75-M144 HydrophobicContact CG2-CE 4.11Å; W76-M144 PolarHBondContact N-O 3.39Å |
| 145 | H | 93.8 | Very high | 78.5 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.1 | 179.4 | 55.2 | -82.8 | 0 | 0 | 0 | 111.5 | F19 S23 A28 S31 L39 W76 | F19-H145 AromaticContact CD2-CD2 3.87Å; F19-H145 AromaticContact CD2-NE2 3.84Å; F19-H145 AromaticContact CG-NE2 3.7Å; F19-H145 PolarHBondContact N-O 3.01Å; F19-H145 PolarHBondContact O-N 3.21Å; S23-H145 PolarHBondContact OG-ND1 2.77Å; A28-H145 HydrophobicContact CB-CB 3.54Å; S31-H145 PolarHBondContact OG-NE2 3.1Å; L39-H145 HydrophobicContact CD2-CB 3.88Å; W76-H145 HydrophobicContact CB-CB 4.01Å |
| 146 | I | 93.4 | Very high | 75.6 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.4 | 175.1 | -174.9 | 168.8 | 0 | 0 | 0 | 110.1 | Y16 K17 L18 L39 A40 I51 I54 V75 W76 I77 | Y16-I146 HydrophobicContact CD1-CD1 4.38Å; K17-I146 WeakPolarHBondContact O-CA 3.03Å; L18-I146 HydrophobicContact CD1-CB 3.9Å; L39-I146 WeakPolarHBondContact CA-O 3.33Å; A40-I146 HydrophobicContact CB-CG1 4.35Å; A40-I146 HydrophobicContact CB-CG2 3.78Å; A40-I146 PolarHBondContact N-O 2.95Å; I51-I146 HydrophobicContact CD1-CD1 4.5Å; I51-I146 HydrophobicContact CG1-CD1 4.02Å; I51-I146 HydrophobicContact CG2-CD1 3.92Å; I51-I146 HydrophobicContact CG2-CG2 4.47Å; I54-I146 HydrophobicContact CD1-CD1 3.33Å; I54-I146 HydrophobicContact CG1-CD1 4.26Å; V75-I146 HydrophobicContact CG1-CB 4.11Å; V75-I146 HydrophobicContact CG1-CG2 3.88Å; W76-I146 PolarHBondContact O-N 3.48Å; I77-I146 HydrophobicContact CG2-CG2 3.83Å |
| 147 | C | 93 | Very high | 72.7 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.014 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 147.8 | 175.1 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | Y16 K17 F19 C32 S37 D38 | Y16-C147 CarbonylContact C-O 3.58Å; Y16-C147 VanDerWaalsContact CA-O 3.27Å; Y16-C147 WeakPolarHBondContact CA-O 3.2Å; K17-C147 PolarHBondContact N-O 3.47Å; K17-C147 PolarHBondContact O-N 3.07Å; F19-C147 HydrophobicContact CE2-CB 4.04Å; F19-C147 WeakPolarHBondContact CE2-SG 3.48Å; C32-C147 WeakPolarHBondContact CA-SG 3.15Å; C32-C147 HydrophobicContact CB-CB 3.72Å; C32-C147 WeakPolarHBondContact CB-SG 3.33Å; C32-C147 VanDerWaalsContact SG-CA 3.55Å; C32-C147 WeakPolarHBondContact SG-CB 3.27Å; C32-C147 CovalentContact SG-SG 2.03Å; C32-C147 PolarHBondContact SG-SG 2.86Å; S37-C147 WeakPolarHBondContact OG-CB 3.49Å; D38-C147 CarbonylContact O-C 3.46Å; D38-C147 WeakPolarHBondContact O-CA 3.31Å |
| 148 | E | 91.3 | Very high | 69.7 | Low | 42 Ų | 42 | 80 Ų | 80 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.8 | 175.9 | 176.4 | -178.6 | -178.5 | 0 | 0 | 109.5 | C15 Y16 S37 D38 A40 V41 K47 | C15-E148 WeakPolarHBondContact O-CA 3.19Å; Y16-E148 HydrophobicContact CD1-CB 3.98Å; Y16-E148 HydrophobicContact CD1-CG 4.12Å; Y16-E148 HydrophobicContact CE1-CB 3.85Å; Y16-E148 HydrophobicContact CE1-CG 3.57Å; Y16-E148 PolarHBondContact OH-OE1 2.85Å; S37-E148 WeakPolarHBondContact CA-O 3.3Å; S37-E148 WeakPolarHBondContact CB-O 3.36Å; D38-E148 PolarHBondContact N-O 3.3Å; D38-E148 PolarHBondContact O-N 3.47Å; A40-E148 WeakPolarHBondContact CA-OE2 3.46Å; A40-E148 HydrophobicContact CB-CB 3.98Å; V41-E148 PolarHBondContact N-OE2 3.09Å; K47-E148 IonicContact NZ-OE1 2.9Å; K47-E148 PolarHBondContact NZ-OE1 3.06Å; K47-E148 IonicContact NZ-OE2 3.52Å; K47-E148 PolarHBondContact NZ-OE2 3.48Å |
| 149 | R | 86 | Confident | 66.6 | Low | 32 Ų | 32 | 81.4 Ų | 81.4 | 12% | 0.121 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.4 | 166.3 | 62.2 | -174.8 | -176.5 | 95 | -5.8 | 110.1 | H3 E8 G14 C15 N36 | H3-R149 PolarHBondContact O-NH2 2.84Å; E8-R149 IonicContact OE1-CZ 3.07Å; E8-R149 IonicContact OE1-NE 2.89Å; E8-R149 PolarHBondContact OE1-NE 3.32Å; E8-R149 IonicContact OE1-NH2 2.87Å; E8-R149 IonicContact OE2-CZ 2.83Å; E8-R149 IonicContact OE2-NE 3.59Å; E8-R149 PolarHBondContact OE2-NE 3.43Å; E8-R149 IonicContact OE2-NH2 2.85Å; E8-R149 PolarHBondContact OE2-NH2 3.47Å; G14-R149 WeakPolarHBondContact CA-O 3.26Å; C15-R149 HydrophobicContact CB-CG 3.77Å; C15-R149 PolarHBondContact N-O 2.88Å; C15-R149 PolarHBondContact O-N 3.43Å; N36-R149 WeakPolarHBondContact O-CB 3.5Å |
| 150 | P | 74.8 | Confident | 63.5 | Low | 97 Ų | 97 | 84.5 Ų | 84.5 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 144.8 | 169.9 | 25.2 | -31.8 | 0 | 0 | 0 | 110.2 | P152 | P150-P152 WeakPolarHBondContact O-CD 3.27Å |
| 151 | E | 60.1 | Low | 60.4 | Low | 64 Ų | 64 | 91.7 Ų | 91.7 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 127.1 | 170.6 | -172 | 169.5 | -160.7 | 0 | 0 | 109.2 | S2 H3 G13 E153 | S2-E151 WeakPolarHBondContact CA-OE1 3.36Å; H3-E151 HydrophobicContact CB-CG 4.15Å; H3-E151 PolarHBondContact N-OE1 3.42Å; G13-E151 WeakPolarHBondContact O-CB 3.03Å; G13-E151 PolarHBondContact O-N 3.12Å; E151-E153 PolarHBondContact O-N 3.26Å |
| 152 | P | 56.9 | Low | 57.3 | Low | 56 Ų | 56 | 97.1 Ų | 97.1 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -51 | 128.5 | 178.4 | -28.1 | 32.4 | 0 | 0 | 0 | 111.9 | H3 P150 Q154 | H3-P152 HydrophobicContact CB-CB 4.19Å; H3-P152 HydrophobicContact CB-CG 3.85Å; P150-P152 WeakPolarHBondContact O-CD 3.27Å; P152-Q154 PolarHBondContact O-N 3.37Å |
| 153 | E | 40.1 | Very low | 54.5 | Low | 205 Ų | 205 | 101.2 Ų | 101.2 | 96% | 0.958 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -64.8 | 8.1 | -172.2 | -101.4 | -172.4 | 158.4 | 0 | 0 | 115.8 | E151 I155 | E151-E153 PolarHBondContact O-N 3.26Å; E153-I155 PolarHBondContact O-N 3.41Å |
| 154 | Q | 32 | Very low | 52.2 | Low | 143 Ų | 143 | 104.3 Ų | 104.3 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -87.8 | 106.7 | 177.3 | -79.7 | -171 | -13.3 | 0 | 0 | 112.5 | H3 P152 | H3-Q154 PolarHBondContact CE1-O 2.88Å; H3-Q154 PolarHBondContact NE2-O 3.31Å; P152-Q154 PolarHBondContact O-N 3.37Å |
| 155 | I | 28.8 | Very low | 49.7 | Very low | 129 Ų | 129 | 105.8 Ų | 105.8 | 66% | 0.662 | 50% | 0.502 | S | S | * | . | trans | 83.2 | 87.4 | 149.9 | -51 | 169.7 | 0 | 0 | 0 | 114.5 | E153 N157 | E153-I155 PolarHBondContact O-N 3.41Å; I155-N157 HydrophobicContact CG2-CB 3.98Å; I155-N157 PolarHBondContact O-N 3.33Å | ||
| 156 | R | 25.2 | Very low | 47.2 | Very low | 248 Ų | 248 | 115.7 Ų | 115.7 | 94% | 0.936 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -45.7 | 19.6 | 164.3 | -146.8 | -178.3 | -63.3 | -118 | -2.1 | 117.5 | ||
| 157 | N | 27.2 | Very low | 44.6 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 73% | 0.727 | 56% | 0.561 | S | S | * | * | trans | -127.7 | 16.1 | -165.3 | -84.6 | -2 | 0 | 0 | 0 | 117.7 | I155 | I155-N157 HydrophobicContact CG2-CB 3.98Å; I155-N157 PolarHBondContact O-N 3.33Å | ||
| 158 | Q | 25.3 | Very low | 42 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -133.1 | 94.3 | 175.8 | -74.4 | -180 | -19.5 | 0 | 0 | 113.4 | M1 | M1-Q158 PolarHBondContact N-O 3.42Š|
| 159 | Q | 23.6 | Very low | 39.5 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | trans | 33.5 | 90.9 | 134.6 | -64.6 | 174.3 | -15.4 | 0 | 0 | 116.2 | M1 | M1-Q159 PolarHBondContact N-O 3.02Š| ||
| 160 | S | 25.1 | Very low | 37.1 | Very low | 83 Ų | 83 | 128 Ų | 128 | 58% | 0.58 | 63% | 0.627 | S | S | * | * | trans | -122.6 | 134.5 | 160.4 | -152.9 | 0 | 0 | 0 | 0 | 108.2 | M162 | S160-M162 PolarHBondContact O-N 3.5Š| ||
| 161 | Y | 25.2 | Very low | 35.4 | Very low | 225 Ų | 225 | 127.1 Ų | 127.1 | 88% | 0.882 | 61% | 0.613 | S | S | * | * | trans | -70 | 90.9 | -174.6 | -68.9 | -90.9 | 0 | 0 | 0 | 110.2 | ||||
| 162 | M | 25.8 | Very low | 34.3 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 78% | 0.783 | 62% | 0.619 | S | S | * | * | trans | -83.5 | 147.7 | 167.6 | -98.4 | -158.3 | -172.9 | 0 | 0 | 111 | S160 Q164 | S160-M162 PolarHBondContact O-N 3.5Å; M162-Q164 PolarHBondContact O-N 2.87Å; M162-Q164 VanDerWaalsContact O-N 3.08Å | ||
| 163 | Y | 34.3 | Very low | 33.3 | Very low | 220 Ų | 220 | 126 Ų | 126 | 86% | 0.863 | 62% | 0.619 | S | S | * | * | trans | -45.9 | 111.9 | 167.3 | -55.1 | -84.6 | 0 | 0 | 0 | 110 | C165 | Y163-C165 PolarHBondContact O-N 3.49Š| ||
| 164 | Q | 41.3 | Very low | 33.1 | Very low | 66 Ų | 66 | 117.9 Ų | 117.9 | 31% | 0.308 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.8 | 12.6 | -159.8 | -104.1 | 153.6 | -17.3 | 0 | 0 | 116.6 | M162 R166 Y237 | M162-Q164 PolarHBondContact O-N 2.87Å; M162-Q164 VanDerWaalsContact O-N 3.08Å; Q164-R166 VanDerWaalsContact C-N 3.3Å; Q164-R166 PolarHBondContact O-N 3.38Å; Q164-Y237 HydrophobicContact CB-CE2 3.86Å; Q164-Y237 HydrophobicContact CG-CD2 4.04Å; Q164-Y237 HydrophobicContact CG-CE2 3.68Å |
| 165 | C | 41.2 | Very low | 33.2 | Very low | 43 Ų | 43 | 115.2 Ų | 115.2 | 29% | 0.291 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | 4.3 | -176.9 | -57.3 | 0 | 0 | 0 | 0 | 113.7 | Y163 C263 | Y163-C165 PolarHBondContact O-N 3.49Å; C165-C263 HydrophobicContact CB-CB 3.41Å; C165-C263 VanDerWaalsContact CB-CB 3.41Å; C165-C263 WeakPolarHBondContact CB-SG 3.34Å; C165-C263 WeakPolarHBondContact SG-CB 3.48Å; C165-C263 CovalentContact SG-SG 2.06Å; C165-C263 PolarHBondContact SG-SG 3.02Å |
| 166 | R | 39.6 | Very low | 33.8 | Very low | 210 Ų | 210 | 111.1 Ų | 111.1 | 79% | 0.792 | 56% | 0.555 | S | S | * | * | trans | -141.5 | 113 | 179.6 | -78 | -178.9 | 162.4 | 173.1 | -5.1 | 113.1 | Q164 | Q164-R166 VanDerWaalsContact C-N 3.3Å; Q164-R166 PolarHBondContact O-N 3.38Å | ||
| 167 | C | 39.9 | Very low | 34.6 | Very low | 65 Ų | 65 | 103.3 Ų | 103.3 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | trans | -115.7 | 148.8 | 155.9 | -66.9 | 0 | 0 | 0 | 0 | 108.3 | C176 | C167-C176 HydrophobicContact CB-CB 3.9Å; C167-C176 WeakPolarHBondContact CB-SG 3.47Å; C167-C176 WeakPolarHBondContact SG-CB 3.37Å; C167-C176 CovalentContact SG-SG 2.06Å; C167-C176 PolarHBondContact SG-SG 3.33Å | ||
| 168 | M | 37.7 | Very low | 35 | Very low | 137 Ų | 137 | 103.2 Ų | 103.2 | 68% | 0.675 | 52% | 0.523 | S | S | * | . | trans | -68.7 | 154.4 | 176.1 | -80.2 | -156.4 | -71.5 | 0 | 0 | 112.3 | G170 F171 | M168-G170 PolarHBondContact O-N 2.99Å; M168-F171 HydrophobicContact CB-CD2 3.83Å; M168-F171 HydrophobicContact CB-CE2 4.26Å; M168-F171 HydrophobicContact CE-CE2 4.38Å; M168-F171 PolarHBondContact O-N 3.42Å; M168-F171 VanDerWaalsContact O-N 3.11Å | ||
| 169 | P | 38.4 | Very low | 35.5 | Very low | 83 Ų | 83 | 100.4 Ų | 100.4 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 127.4 | 170.2 | -23.9 | 33.4 | 0 | 0 | 0 | 111.4 | ||
| 170 | G | 36.4 | Very low | 36 | Very low | 49 Ų | 49 | 99.8 Ų | 99.8 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | -7.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | M168 S179 | M168-G170 PolarHBondContact O-N 2.99Å; G170-S179 PolarHBondContact O-N 3.28Å |
| 171 | F | 38.4 | Very low | 36.3 | Very low | 78 Ų | 78 | 98.7 Ų | 98.7 | 34% | 0.342 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.6 | -178.6 | -62.1 | -97.5 | 0 | 0 | 0 | 111.6 | M168 C176 E177 F178 | M168-F171 HydrophobicContact CB-CD2 3.83Å; M168-F171 HydrophobicContact CB-CE2 4.26Å; M168-F171 HydrophobicContact CE-CE2 4.38Å; M168-F171 PolarHBondContact O-N 3.42Å; M168-F171 VanDerWaalsContact O-N 3.11Å; F171-C176 HydrophobicContact CB-CB 4.18Å; F171-C176 VanDerWaalsContact CD1-O 3.22Å; F171-C176 WeakPolarHBondContact CD1-O 3.33Å; F171-E177 WeakPolarHBondContact CA-O 3.39Å; F171-F178 HydrophobicContact CD1-CB 4.12Å; F171-F178 HydrophobicContact CD1-CD2 4Å; F171-F178 HydrophobicContact CE1-CB 4.02Å; F171-F178 AromaticContact CE1-CD2 3.64Å; F171-F178 HydrophobicContact CE1-CD2 3.64Å; F171-F178 HydrophobicContact CE1-CG 4.32Å; F171-F178 HydrophobicContact CE2-CD2 4.16Å; F171-F178 HydrophobicContact CG-CD2 4.45Å; F171-F178 AromaticContact CZ-CD2 3.72Å; F171-F178 HydrophobicContact CZ-CD2 3.72Å; F171-F178 HydrophobicContact CZ-CE2 4.31Å |
| 172 | S | 38.5 | Very low | 36.4 | Very low | 60 Ų | 60 | 92.1 Ų | 92.1 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 167.6 | 178.4 | 63.6 | 0 | 0 | 0 | 0 | 111 | C176 E177 | S172-C176 CarbonylContact O-C 3.58Å; S172-E177 PolarHBondContact N-O 3.11Å; S172-E177 CarbonylContact O-C 3.19Å; S172-E177 WeakPolarHBondContact O-CA 3.31Å; S172-E177 WeakPolarHBondContact O-CG 3.39Å; S172-E177 PolarHBondContact O-N 2.98Å |
| 173 | G | 35.8 | Very low | 36.5 | Very low | 36 Ų | 36 | 92 Ų | 92 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | 170.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N175 C176 E177 | G173-N175 PolarHBondContact O-N 3.02Å; G173-C176 WeakPolarHBondContact O-CA 3.34Å; G173-C176 PolarHBondContact O-N 3.44Å; G173-E177 VanDerWaalsContact C-OE1 3.24Å; G173-E177 WeakPolarHBondContact CA-OE1 3.19Å |
| 174 | L | 35.1 | Very low | 36.1 | Very low | 36 Ų | 36 | 88.5 Ų | 88.5 | 19% | 0.188 | 52% | 0.521 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -30.3 | -169.2 | -138.5 | 90.2 | 0 | 0 | 0 | 113.5 | E177 D236 Y237 R308 | L174-E177 PolarHBondContact N-OE1 3.46Å; L174-D236 HydrophobicContact CD2-CB 4.11Å; L174-Y237 HydrophobicContact CD1-CD1 3.64Å; L174-Y237 HydrophobicContact CD1-CD2 4.33Å; L174-Y237 HydrophobicContact CD1-CG 3.46Å; L174-Y237 VanDerWaalsContact CD1-CG 3.46Å; L174-Y237 HydrophobicContact CG-CG 4.41Å; L174-R308 VanDerWaalsContact CB-NH1 3.31Å; L174-R308 HydrophobicContact CD1-CB 3.66Å; L174-R308 HydrophobicContact CD1-CG 4.27Å; L174-R308 VanDerWaalsContact CD2-CZ 3.49Å |
| 175 | N | 35.6 | Very low | 35.2 | Very low | 86 Ų | 86 | 89.9 Ų | 89.9 | 46% | 0.46 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 15.6 | 176.5 | -43.7 | -52.8 | 0 | 0 | 0 | 111.6 | G173 E177 | G173-N175 PolarHBondContact O-N 3.02Å; N175-E177 WeakPolarHBondContact CB-OE2 3.4Å; N175-E177 PolarHBondContact N-OE1 3.38Å; N175-E177 PolarHBondContact ND2-OE2 2.92Å; N175-E177 PolarHBondContact O-N 2.96Å |
| 176 | C | 40.6 | Very low | 34.4 | Very low | 44 Ų | 44 | 92.4 Ų | 92.4 | 30% | 0.297 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 46.1 | 52.1 | -164.4 | -58 | 0 | 0 | 0 | 0 | 110.1 | C167 F171 S172 G173 | C167-C176 HydrophobicContact CB-CB 3.9Å; C167-C176 WeakPolarHBondContact CB-SG 3.47Å; C167-C176 WeakPolarHBondContact SG-CB 3.37Å; C167-C176 CovalentContact SG-SG 2.06Å; C167-C176 PolarHBondContact SG-SG 3.33Å; F171-C176 HydrophobicContact CB-CB 4.18Å; F171-C176 VanDerWaalsContact CD1-O 3.22Å; F171-C176 WeakPolarHBondContact CD1-O 3.33Å; S172-C176 CarbonylContact O-C 3.58Å; G173-C176 WeakPolarHBondContact O-CA 3.34Å; G173-C176 PolarHBondContact O-N 3.44Å |
| 177 | E | 41.1 | Very low | 33.7 | Very low | 83 Ų | 83 | 91.2 Ų | 91.2 | 39% | 0.388 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.3 | 151.7 | 176.2 | 32.3 | -91.5 | 142.3 | 0 | 0 | 111.9 | F171 S172 G173 L174 N175 S179 | F171-E177 WeakPolarHBondContact CA-O 3.39Å; S172-E177 PolarHBondContact N-O 3.11Å; S172-E177 CarbonylContact O-C 3.19Å; S172-E177 WeakPolarHBondContact O-CA 3.31Å; S172-E177 WeakPolarHBondContact O-CG 3.39Å; S172-E177 PolarHBondContact O-N 2.98Å; G173-E177 VanDerWaalsContact C-OE1 3.24Å; G173-E177 WeakPolarHBondContact CA-OE1 3.19Å; L174-E177 PolarHBondContact N-OE1 3.46Å; N175-E177 WeakPolarHBondContact CB-OE2 3.4Å; N175-E177 PolarHBondContact N-OE1 3.38Å; N175-E177 PolarHBondContact ND2-OE2 2.92Å; N175-E177 PolarHBondContact O-N 2.96Å; E177-S179 PolarHBondContact O-N 3.23Å |
| 178 | F | 35.9 | Very low | 33 | Very low | 135 Ų | 135 | 95 Ų | 95 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.3 | 119.9 | -178.3 | -168.2 | -105.1 | 0 | 0 | 0 | 109.9 | F171 T180 | F171-F178 HydrophobicContact CD1-CB 4.12Å; F171-F178 HydrophobicContact CD1-CD2 4Å; F171-F178 HydrophobicContact CE1-CB 4.02Å; F171-F178 AromaticContact CE1-CD2 3.64Å; F171-F178 HydrophobicContact CE1-CD2 3.64Å; F171-F178 HydrophobicContact CE1-CG 4.32Å; F171-F178 HydrophobicContact CE2-CD2 4.16Å; F171-F178 HydrophobicContact CG-CD2 4.45Å; F171-F178 AromaticContact CZ-CD2 3.72Å; F171-F178 HydrophobicContact CZ-CD2 3.72Å; F171-F178 HydrophobicContact CZ-CE2 4.31Å; F178-T180 HydrophobicContact CD1-CG2 4.45Å; F178-T180 PolarHBondContact O-N 3.45Å; F178-T180 VanDerWaalsContact O-N 3.14Å |
| 179 | S | 36.2 | Very low | 32.4 | Very low | 65 Ų | 65 | 91.6 Ų | 91.6 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | trans | -72.5 | 105.7 | 173.1 | 158.5 | 0 | 0 | 0 | 0 | 108 | G170 E177 G181 | G170-S179 PolarHBondContact O-N 3.28Å; E177-S179 PolarHBondContact O-N 3.23Å; S179-G181 PolarHBondContact O-N 2.96Å | ||
| 180 | T | 34.2 | Very low | 31.9 | Very low | 133 Ų | 133 | 94.1 Ų | 94.1 | 82% | 0.816 | 60% | 0.597 | S | S | * | * | trans | -68.1 | 76.6 | 168.5 | 53.2 | 0 | 0 | 0 | 0 | 109.3 | F178 | F178-T180 HydrophobicContact CD1-CG2 4.45Å; F178-T180 PolarHBondContact O-N 3.45Å; F178-T180 VanDerWaalsContact O-N 3.14Å | ||
| 181 | G | 31.3 | Very low | 31.4 | Very low | 60 Ų | 60 | 97.2 Ų | 97.2 | 62% | 0.619 | 61% | 0.611 | S | S | * | * | trans | -90.2 | 108.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S179 | S179-G181 PolarHBondContact O-N 2.96Š| ||
| 182 | A | 27.4 | Very low | 30.6 | Very low | 87 Ų | 87 | 99 Ų | 99 | 72% | 0.719 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 76.4 | 129.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 183 | N | 26.8 | Very low | 30 | Very low | 155 Ų | 155 | 103.1 Ų | 103.1 | 83% | 0.829 | 66% | 0.655 | S | S | * | * | trans | 85.4 | 83.2 | 146.7 | -57.9 | -13.5 | 0 | 0 | 0 | 118.4 | ||||
| 184 | V | 26.4 | Very low | 29.3 | Very low | 147 Ų | 147 | 106 Ų | 106 | 89% | 0.891 | 67% | 0.67 | S | S | * | * | -128.3 | 117.4 | 122.3 | -176 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 185 | S | 23.6 | Very low | 28.7 | Very low | 95 Ų | 95 | 109.6 Ų | 109.6 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | trans | -57.8 | 160.4 | 174.3 | 43 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 186 | S | 23.6 | Very low | 28.2 | Very low | 96 Ų | 96 | 111.3 Ų | 111.3 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | trans | 62.2 | 106.3 | 149.6 | 63.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 187 | E | 25.9 | Very low | 27.3 | Very low | 186 Ų | 186 | 114.3 Ų | 114.3 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | -175.2 | 149.1 | 99.7 | -97 | 174 | -174.4 | 0 | 0 | 111.9 | |||||
| 188 | T | 24.2 | Very low | 26.6 | Very low | 143 Ų | 143 | 116.7 Ų | 116.7 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | -64.8 | 144.9 | -175.8 | 41.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 189 | G | 25.5 | Very low | 26.1 | Very low | 66 Ų | 66 | 119.4 Ų | 119.4 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | 149.4 | 107.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 190 | P | 26.7 | Very low | 25.6 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -90.4 | 121.6 | 173.6 | 32.8 | -25.8 | 0 | 0 | 0 | 110.5 | ||||
| 191 | S | 25.9 | Very low | 25.3 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -150.5 | 119.6 | 164.1 | 45.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 192 | S | 22.2 | Very low | 25 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -48.3 | 130.5 | 171.6 | 49.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 193 | V | 26.7 | Very low | 25.1 | Very low | 145 Ų | 145 | 135 Ų | 135 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -139.2 | 130.6 | 149.2 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 194 | S | 21.3 | Very low | 25.2 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | -83.1 | 148.3 | -176.3 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 195 | S | 22.1 | Very low | 25.6 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 51.2 | 110.7 | 140.1 | 64.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 196 | S | 24.9 | Very low | 26.2 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -154.3 | 124.2 | 132.3 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 197 | S | 22.1 | Very low | 26.9 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -55.8 | 140.8 | 175.1 | 49.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 198 | T | 26.3 | Very low | 27.6 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | -171.8 | 126.1 | 121.6 | 21.5 | 0 | 0 | 0 | 0 | 110.1 | E200 | T198-E200 PolarHBondContact O-N 3.45Š| |||
| 199 | E | 25.2 | Very low | 28.4 | Very low | 191 Ų | 191 | 128.4 Ų | 128.4 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | trans | -84.9 | 19.6 | -158 | -81.8 | 178.8 | 130.3 | 0 | 0 | 117.4 | ||||
| 200 | E | 25.8 | Very low | 29.5 | Very low | 196 Ų | 196 | 127.3 Ų | 127.3 | 92% | 0.916 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -10.7 | -171.5 | -84.5 | -177.5 | 150.2 | 0 | 0 | 116.3 | T198 | T198-E200 PolarHBondContact O-N 3.45Š|
| 201 | T | 27 | Very low | 30.7 | Very low | 128 Ų | 128 | 124 Ų | 124 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -5 | -175.9 | 13.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 202 | N | 26 | Very low | 32.1 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 21.3 | -164.7 | -90.8 | -13.5 | 0 | 0 | 0 | 117.7 | ||
| 203 | R | 28.1 | Very low | 33.9 | Very low | 213 Ų | 213 | 120.6 Ų | 120.6 | 80% | 0.804 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 4 | 176.1 | -74 | -167.7 | -173 | -170.4 | 4.8 | 117.2 | K205 | R203-K205 VanDerWaalsContact C-N 3.29Å; R203-K205 PolarHBondContact O-N 2.91Å; R203-K205 VanDerWaalsContact O-N 3.15Å |
| 204 | M | 29.7 | Very low | 35.6 | Very low | 155 Ų | 155 | 115.5 Ų | 115.5 | 76% | 0.764 | 63% | 0.627 | S | S | * | * | trans | -84.3 | 74.1 | 161.6 | -73.6 | -168.3 | -168.1 | 0 | 0 | 109.8 | ||||
| 205 | K | 34.7 | Very low | 37.6 | Very low | 152 Ų | 152 | 112.5 Ų | 112.5 | 66% | 0.661 | 61% | 0.611 | S | S | * | * | trans | -78.7 | 133.4 | 175.2 | -81.1 | -176.3 | 173.9 | -178.1 | 0 | 110.7 | R203 | R203-K205 VanDerWaalsContact C-N 3.29Å; R203-K205 PolarHBondContact O-N 2.91Å; R203-K205 VanDerWaalsContact O-N 3.15Å | ||
| 206 | Q | 37.5 | Very low | 39.5 | Very low | 96 Ų | 96 | 115 Ų | 115 | 45% | 0.449 | 61% | 0.61 | S | S | . | * | trans | 65.8 | 78.2 | 173.2 | -77.9 | 174.7 | -20.6 | 0 | 0 | 116.6 | ||||
| 207 | V | 36.8 | Very low | 41.3 | Very low | 84 Ų | 84 | 116.9 Ų | 116.9 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | trans | -83.9 | 108.1 | 147 | 177.5 | 0 | 0 | 0 | 0 | 106.1 | R308 | V207-R308 HydrophobicContact CG1-CG 4.01Š| ||
| 208 | Q | 40.2 | Very low | 43.5 | Very low | 94 Ų | 94 | 115.3 Ų | 115.3 | 44% | 0.439 | 59% | 0.593 | S | S | . | * | trans | -120 | 96.1 | 177.4 | -142.2 | 171.9 | -4.1 | 0 | 0 | 108.2 | V210 | Q208-V210 VanDerWaalsContact C-N 3.29Å; Q208-V210 HydrophobicContact CB-CG2 4.02Å; Q208-V210 HydrophobicContact CG-CG2 3.63Å; Q208-V210 PolarHBondContact O-N 3.48Å | ||
| 209 | D | 42.5 | Very low | 45.6 | Very low | 102 Ų | 102 | 109.7 Ų | 109.7 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | trans | -73.6 | 88.2 | 167.6 | -69.7 | -27 | 0 | 0 | 0 | 107.2 | P211 | D209-P211 WeakPolarHBondContact O-CD 3.31Š| ||
| 210 | V | 48.4 | Very low | 48.1 | Very low | 43 Ų | 43 | 105.8 Ų | 105.8 | 26% | 0.261 | 54% | 0.54 | S | S | . | . | trans | -95.1 | 106.3 | 178.1 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | Q208 L212 Y307 | Q208-V210 VanDerWaalsContact C-N 3.29Å; Q208-V210 HydrophobicContact CB-CG2 4.02Å; Q208-V210 HydrophobicContact CG-CG2 3.63Å; Q208-V210 PolarHBondContact O-N 3.48Å; V210-L212 PolarHBondContact O-N 3.29Å; V210-Y307 HydrophobicContact CB-CE1 4.34Å | ||
| 211 | P | 50.7 | Low | 50.7 | Low | 66 Ų | 66 | 96.5 Ų | 96.5 | 43% | 0.429 | 50% | 0.496 | S | S | . | . | trans | -68.3 | 103.2 | 166.8 | 27.5 | -31.9 | 0 | 0 | 0 | 108.1 | D209 L213 K304 | D209-P211 WeakPolarHBondContact O-CD 3.31Å; P211-L213 PolarHBondContact O-N 3.06Å; P211-K304 HydrophobicContact CB-CD 3.78Å | ||
| 212 | L | 55.4 | Low | 53.3 | Low | 38 Ų | 38 | 92.7 Ų | 92.7 | 20% | 0.199 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 105.1 | 173.5 | -163 | 80 | 0 | 0 | 0 | 108.1 | V210 L219 L287 K304 M305 | V210-L212 PolarHBondContact O-N 3.29Å; L212-L219 HydrophobicContact CD1-CD1 4.34Å; L212-L219 HydrophobicContact CD2-CB 3.98Å; L212-L219 HydrophobicContact CD2-CD2 4.31Å; L212-L287 HydrophobicContact CD2-CB 4.4Å; L212-L287 HydrophobicContact CD2-CD1 4.23Å; L212-K304 WeakPolarHBondContact O-CA 3.41Å; L212-K304 WeakPolarHBondContact O-CB 3.13Å; L212-M305 PolarHBondContact N-O 3.41Å; L212-M305 PolarHBondContact O-N 3.23Å |
| 213 | L | 61.2 | Low | 55.9 | Low | 123 Ų | 123 | 86.4 Ų | 86.4 | 64% | 0.644 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 146.9 | 169.6 | -75.9 | 98.3 | 0 | 0 | 0 | 109.7 | P211 G215 | P211-L213 PolarHBondContact O-N 3.06Å; L213-G215 PolarHBondContact O-N 3.47Å |
| 214 | C | 62 | Low | 58.3 | Low | 38 Ų | 38 | 81.7 Ų | 81.7 | 26% | 0.257 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -52.2 | 102.3 | 171.3 | -91.5 | 0 | 0 | 0 | 0 | 111.7 | C296 Y303 | C214-C296 HydrophobicContact CB-CB 3.51Å; C214-C296 WeakPolarHBondContact CB-SG 3.21Å; C214-C296 WeakPolarHBondContact SG-CA 3.36Å; C214-C296 WeakPolarHBondContact SG-CB 3.27Å; C214-C296 CovalentContact SG-SG 2.03Å; C214-C296 PolarHBondContact SG-SG 3.35Å; C214-Y303 PolarHBondContact N-O 3.02Å; C214-Y303 VanDerWaalsContact N-O 3.09Å |
| 215 | G | 62.5 | Low | 60.4 | Low | 34 Ų | 34 | 77.3 Ų | 77.3 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | trans | -137.8 | 175.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L213 Q217 | L213-G215 PolarHBondContact O-N 3.47Å; G215-Q217 VanDerWaalsContact C-N 3.33Å | ||
| 216 | E | 61.8 | Low | 62.2 | Low | 165 Ų | 165 | 72.9 Ų | 72.9 | 77% | 0.771 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -86.5 | -1.6 | -180 | -64.5 | -171 | 164.3 | 0 | 0 | 113.7 | A286 | E216-A286 VanDerWaalsContact C-CB 3.5Å; E216-A286 WeakPolarHBondContact O-CB 3.36Å |
| 217 | Q | 63.5 | Low | 63.9 | Low | 159 Ų | 159 | 71.7 Ų | 71.7 | 74% | 0.743 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -82.4 | 133 | -178.9 | -67 | -165.2 | -23 | 0 | 0 | 111.3 | G215 A286 | G215-Q217 VanDerWaalsContact C-N 3.33Å; Q217-A286 WeakPolarHBondContact O-CA 3.42Å |
| 218 | P | 67.4 | Low | 65.4 | Low | 76 Ų | 76 | 77.3 Ų | 77.3 | 49% | 0.494 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 148.6 | 170.9 | 28.6 | -32.9 | 0 | 0 | 0 | 110.3 | T283 L284 | P218-T283 HydrophobicContact CB-CG2 4.04Å; P218-L284 CarbonylContact C-O 3.46Å; P218-L284 VanDerWaalsContact CA-O 3.26Å; P218-L284 WeakPolarHBondContact CA-O 3.21Å; P218-L284 WeakPolarHBondContact CB-O 3.29Å |
| 219 | L | 72.2 | Confident | 66.8 | Low | 14 Ų | 14 | 76.6 Ų | 76.6 | 7% | 0.073 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 116.4 | 178.1 | 171.3 | 62.7 | 0 | 0 | 0 | 109.7 | L212 I221 T283 L284 Y307 | L212-L219 HydrophobicContact CD1-CD1 4.34Å; L212-L219 HydrophobicContact CD2-CB 3.98Å; L212-L219 HydrophobicContact CD2-CD2 4.31Å; L219-I221 HydrophobicContact CD1-CG1 4.45Å; L219-I221 HydrophobicContact CD2-CD1 4.27Å; L219-I221 HydrophobicContact CD2-CG1 4.47Å; L219-I221 HydrophobicContact CG-CG1 4.2Å; L219-T283 CarbonylContact O-C 3.25Å; L219-T283 WeakPolarHBondContact O-CA 3.39Å; L219-L284 HydrophobicContact CB-CB 4.26Å; L219-L284 HydrophobicContact CB-CD1 4.32Å; L219-L284 HydrophobicContact CD2-CD1 3.93Å; L219-L284 HydrophobicContact CG-CD1 4.09Å; L219-L284 PolarHBondContact N-O 2.9Å; L219-L284 PolarHBondContact O-N 2.87Å; L219-Y307 HydrophobicContact CD1-CE1 4.28Å; L219-Y307 WeakPolarHBondContact CD1-OH 3.36Å; L219-Y307 HydrophobicContact CD2-CD1 4.16Å; L219-Y307 HydrophobicContact CD2-CE1 3.47Å; L219-Y307 VanDerWaalsContact CD2-CE1 3.47Å; L219-Y307 HydrophobicContact CD2-CE2 4.3Å |
| 220 | E | 76.2 | Confident | 68 | Low | 110 Ų | 110 | 76.6 Ų | 76.6 | 51% | 0.514 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.3 | 171.2 | -73.5 | -160 | 147.2 | 0 | 0 | 111.2 | K281 C282 T283 | E220-K281 WeakPolarHBondContact OE1-CE 3.23Å; E220-K281 IonicContact OE1-NZ 3.69Å; E220-K281 PolarHBondContact OE1-NZ 3.44Å; E220-K281 VanDerWaalsContact OE2-CE 3.28Å; E220-K281 WeakPolarHBondContact OE2-CE 3.31Å; E220-K281 IonicContact OE2-NZ 3.63Å; E220-K281 PolarHBondContact OE2-NZ 3.22Å; E220-C282 WeakPolarHBondContact CA-O 3.43Å; E220-T283 HydrophobicContact CG-CG2 3.73Å |
| 221 | I | 80.6 | Confident | 69.5 | Low | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.005 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.7 | 170.1 | -55.2 | 174 | 0 | 0 | 0 | 107.2 | L219 I233 L272 K281 C282 L284 Y307 Y309 | L219-I221 HydrophobicContact CD1-CG1 4.45Å; L219-I221 HydrophobicContact CD2-CD1 4.27Å; L219-I221 HydrophobicContact CD2-CG1 4.47Å; L219-I221 HydrophobicContact CG-CG1 4.2Å; I221-I233 HydrophobicContact CB-CD1 4.25Å; I221-I233 HydrophobicContact CG2-CD1 3.79Å; I221-I233 HydrophobicContact CG2-CG1 4.14Å; I221-I233 HydrophobicContact CG2-CG2 4.24Å; I221-I233 WeakPolarHBondContact O-CD1 3.23Å; I221-L272 HydrophobicContact CD1-CD1 3.96Å; I221-K281 CarbonylContact O-C 3.6Å; I221-K281 WeakPolarHBondContact O-CA 3.14Å; I221-C282 PolarHBondContact N-O 3.37Å; I221-C282 PolarHBondContact O-N 3.46Å; I221-L284 HydrophobicContact CD1-CD1 4.13Å; I221-Y307 HydrophobicContact CD1-CD2 3.99Å; I221-Y307 HydrophobicContact CD1-CE2 3.59Å; I221-Y307 HydrophobicContact CG1-CE2 4.14Å; I221-Y309 HydrophobicContact CD1-CD1 4.43Å; I221-Y309 HydrophobicContact CG2-CD1 3.82Å; I221-Y309 HydrophobicContact CG2-CD2 3.76Å; I221-Y309 HydrophobicContact CG2-CE1 3.58Å; I221-Y309 HydrophobicContact CG2-CE2 3.5Å; I221-Y309 VanDerWaalsContact CG2-CE2 3.5Å; I221-Y309 HydrophobicContact CG2-CG 3.92Å; I221-Y309 VanDerWaalsContact CG2-CZ 3.42Å |
| 222 | S | 81.4 | Confident | 70.5 | Confident | 48 Ų | 48 | 74.5 Ų | 74.5 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.2 | 178.8 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | R280 | S222-R280 CarbonylContact C-O 3.59Å; S222-R280 WeakPolarHBondContact CA-O 3.35Å |
| 223 | C | 80.5 | Confident | 71.5 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 3% | 0.027 | 40% | 0.404 | C | S | . | . | trans | -108.2 | 118.9 | 170.5 | -72.3 | 0 | 0 | 0 | 0 | 110.3 | M231 I233 R280 C311 | C223-M231 HydrophobicContact CB-CB 3.84Å; C223-I233 HydrophobicContact CB-CG1 4.37Å; C223-I233 WeakPolarHBondContact SG-CG1 3.17Å; C223-R280 PolarHBondContact N-O 2.94Å; C223-C311 WeakPolarHBondContact CA-SG 3.48Å; C223-C311 HydrophobicContact CB-CB 3.73Å; C223-C311 WeakPolarHBondContact CB-SG 3.48Å; C223-C311 WeakPolarHBondContact SG-CA 3.35Å; C223-C311 WeakPolarHBondContact SG-CB 3.43Å; C223-C311 CovalentContact SG-SG 2.03Å; C223-C311 PolarHBondContact SG-SG 2.87Å | ||
| 224 | D | 80.1 | Confident | 71.8 | Confident | 113 Ų | 113 | 67.3 Ų | 67.3 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | trans | -72.5 | 141.7 | 173.4 | -70.5 | -33.8 | 0 | 0 | 0 | 110.9 | M231 | D224-M231 WeakPolarHBondContact O-CG 3.39Š| ||
| 225 | P | 73.1 | Confident | 72.2 | Confident | 64 Ų | 64 | 66 Ų | 66 | 42% | 0.416 | 37% | 0.368 | S | S | . | . | trans | -67.3 | 141.2 | 176.6 | 28.1 | -31.6 | 0 | 0 | 0 | 110.4 | ||||
| 226 | V | 71.5 | Confident | 72 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -108.8 | 98.9 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | H228 V229 M231 | V226-H228 PolarHBondContact O-N 2.95Å; V226-V229 PolarHBondContact N-O 2.84Å; V226-V229 PolarHBondContact O-N 3.41Å; V226-M231 HydrophobicContact CB-CG 4.44Å; V226-M231 HydrophobicContact CG2-CE 4.32Å; V226-M231 HydrophobicContact CG2-CG 4.04Å; V226-M231 HydrophobicContact CG2-SD 4.42Å |
| 227 | G | 74.5 | Confident | 71.9 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 73% | 0.732 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -127.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 228 | H | 68.4 | Low | 72 | Confident | 202 Ų | 202 | 52 Ų | 52 | 94% | 0.935 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -1.3 | 174.9 | -66.3 | -64.1 | 0 | 0 | 0 | 113.8 | V226 | V226-H228 PolarHBondContact O-N 2.95Š|
| 229 | V | 68.3 | Low | 72 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 48% | 0.479 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -90.1 | 119.7 | -178 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | V226 M231 | V226-V229 PolarHBondContact N-O 2.84Å; V226-V229 PolarHBondContact O-N 3.41Å; V229-M231 HydrophobicContact CG1-SD 4.46Å |
| 230 | E | 69.2 | Low | 71.7 | Confident | 101 Ų | 101 | 48 Ų | 48 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 128.9 | 171.5 | -67.2 | -155.1 | 126.6 | 0 | 0 | 111 | R280 | E230-R280 IonicContact OE1-CZ 2.65Å; E230-R280 IonicContact OE1-NH1 2.78Å; E230-R280 PolarHBondContact OE1-NH1 2.9Å |
| 231 | M | 78.6 | Confident | 71.2 | Confident | 24 Ų | 24 | 42.8 Ų | 42.8 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 135.4 | 178.7 | -60.3 | -64.3 | -85.1 | 0 | 0 | 109.8 | C223 D224 V226 V229 R280 C311 V312 | C223-M231 HydrophobicContact CB-CB 3.84Å; D224-M231 WeakPolarHBondContact O-CG 3.39Å; V226-M231 HydrophobicContact CB-CG 4.44Å; V226-M231 HydrophobicContact CG2-CE 4.32Å; V226-M231 HydrophobicContact CG2-CG 4.04Å; V226-M231 HydrophobicContact CG2-SD 4.42Å; V229-M231 HydrophobicContact CG1-SD 4.46Å; M231-R280 WeakPolarHBondContact O-CG 3.46Å; M231-C311 HydrophobicContact CB-CB 4.24Å; M231-C311 HydrophobicContact CE-CB 3.9Å; M231-C311 WeakPolarHBondContact CE-O 3.34Å; M231-V312 WeakPolarHBondContact CA-O 3.29Å |
| 232 | R | 71.5 | Confident | 70.3 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 16% | 0.158 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 148.2 | 177.9 | -68 | 179.4 | 172.7 | -157.2 | 4.3 | 110.1 | G278 C311 V312 E324 | R232-G278 VanDerWaalsContact CD-O 3.25Å; R232-G278 WeakPolarHBondContact CD-O 3.39Å; R232-C311 WeakPolarHBondContact O-CA 3.26Å; R232-V312 PolarHBondContact N-O 3.15Å; R232-V312 PolarHBondContact O-N 3.34Å; R232-E324 IonicContact NH1-OE1 2.67Å; R232-E324 PolarHBondContact NH1-OE1 3.33Å |
| 233 | I | 76.5 | Confident | 68.7 | Low | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 127 | 179.1 | -60.8 | 159.4 | 0 | 0 | 0 | 109.1 | I221 C223 V235 C276 H277 G278 R279 Y309 | I221-I233 HydrophobicContact CB-CD1 4.25Å; I221-I233 HydrophobicContact CG2-CD1 3.79Å; I221-I233 HydrophobicContact CG2-CG1 4.14Å; I221-I233 HydrophobicContact CG2-CG2 4.24Å; I221-I233 WeakPolarHBondContact O-CD1 3.23Å; C223-I233 HydrophobicContact CB-CG1 4.37Å; C223-I233 WeakPolarHBondContact SG-CG1 3.17Å; I233-V235 HydrophobicContact CG2-CG2 4.13Å; I233-C276 WeakPolarHBondContact CB-O 3.3Å; I233-C276 HydrophobicContact CD1-CB 4.48Å; I233-C276 HydrophobicContact CG2-CB 4.08Å; I233-H277 CarbonylContact O-C 3.46Å; I233-H277 WeakPolarHBondContact O-CA 3.4Å; I233-G278 PolarHBondContact O-N 2.87Å; I233-R279 WeakPolarHBondContact CB-O 3.34Å; I233-R279 WeakPolarHBondContact CD1-O 3.35Å; I233-R279 VanDerWaalsContact CG1-O 3.27Å; I233-R279 WeakPolarHBondContact CG1-O 3.36Å; I233-R279 PolarHBondContact N-O 3.49Å; I233-Y309 HydrophobicContact CG2-CD2 3.96Å; I233-Y309 HydrophobicContact CG2-CG 4.2Å |
| 234 | A | 68.3 | Low | 67 | Low | 9 Ų | 9 | 50.8 Ų | 50.8 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 107.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | D236 Y309 R310 V312 | A234-D236 PolarHBondContact O-N 3.48Å; A234-Y309 CarbonylContact O-C 3.49Å; A234-Y309 WeakPolarHBondContact O-CA 3.22Å; A234-Y309 WeakPolarHBondContact O-CB 3.4Å; A234-R310 PolarHBondContact N-O 3.46Å; A234-R310 PolarHBondContact O-N 2.91Å; A234-V312 HydrophobicContact CB-CG1 4.15Å; A234-V312 HydrophobicContact CB-CG2 3.89Å |
| 235 | V | 69.1 | Low | 65 | Low | 12 Ų | 12 | 56.6 Ų | 56.6 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 123.5 | 177.6 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | I233 L269 L272 C276 H277 | I233-V235 HydrophobicContact CG2-CG2 4.13Å; V235-L269 HydrophobicContact CG1-CD1 3.67Å; V235-L272 HydrophobicContact CG1-CB 4.3Å; V235-L272 HydrophobicContact CG1-CD2 3.74Å; V235-L272 HydrophobicContact CG1-CG 3.94Å; V235-L272 HydrophobicContact CG2-CG 4.2Å; V235-C276 HydrophobicContact CG2-CB 3.97Å; V235-H277 HydrophobicContact CG2-CB 4.32Å; V235-H277 PolarHBondContact N-ND1 2.84Å |
| 236 | D | 59 | Low | 63.3 | Low | 30 Ų | 30 | 60.3 Ų | 60.3 | 16% | 0.16 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -32.9 | 178.2 | -71.1 | -23.4 | 0 | 0 | 0 | 111.7 | L174 A234 R308 R310 | L174-D236 HydrophobicContact CD2-CB 4.11Å; A234-D236 PolarHBondContact O-N 3.48Å; D236-R308 HydrophobicContact CB-CB 4.34Å; D236-R308 PolarHBondContact N-O 3.41Å; D236-R308 IonicContact OD2-CZ 3.42Å; D236-R308 IonicContact OD2-NE 2.65Å; D236-R308 PolarHBondContact OD2-NE 3.23Å; D236-R308 IonicContact OD2-NH2 3.02Å; D236-R308 PolarHBondContact OD2-NH2 3.14Å; D236-R310 IonicContact OD1-CZ 2.84Å; D236-R310 IonicContact OD1-NE 3.41Å; D236-R310 PolarHBondContact OD1-NE 3.34Å; D236-R310 IonicContact OD1-NH2 3.74Å; D236-R310 PolarHBondContact OD1-NH2 3.39Å; D236-R310 WeakPolarHBondContact OD2-CD 3.34Å; D236-R310 WeakPolarHBondContact OD2-CG 3.17Å; D236-R310 IonicContact OD2-CZ 3.02Å; D236-R310 IonicContact OD2-NE 2.77Å; D236-R310 PolarHBondContact OD2-NE 3.5Å; D236-R310 IonicContact OD2-NH2 3.78Å |
| 237 | Y | 59.3 | Low | 61.3 | Low | 27 Ų | 27 | 64.6 Ų | 64.6 | 11% | 0.106 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 144.9 | -172.1 | 169.5 | -123.3 | 0 | 0 | 0 | 112.3 | Q164 L174 F239 E306 Y307 R308 | Q164-Y237 HydrophobicContact CB-CE2 3.86Å; Q164-Y237 HydrophobicContact CG-CD2 4.04Å; Q164-Y237 HydrophobicContact CG-CE2 3.68Å; L174-Y237 HydrophobicContact CD1-CD1 3.64Å; L174-Y237 HydrophobicContact CD1-CD2 4.33Å; L174-Y237 HydrophobicContact CD1-CG 3.46Å; L174-Y237 VanDerWaalsContact CD1-CG 3.46Å; L174-Y237 HydrophobicContact CG-CG 4.41Å; Y237-F239 HydrophobicContact CE1-CB 4.18Å; Y237-F239 HydrophobicContact CE2-CB 3.77Å; Y237-F239 VanDerWaalsContact CZ-CB 3.42Å; Y237-F239 WeakPolarHBondContact OH-CB 3.35Å; Y237-E306 HydrophobicContact CE1-CB 4.02Å; Y237-Y307 CarbonylContact O-C 3.51Å; Y237-Y307 VanDerWaalsContact O-CA 3.22Å; Y237-Y307 WeakPolarHBondContact O-CA 3.48Å; Y237-Y307 VanDerWaalsContact O-CB 3.32Å; Y237-Y307 WeakPolarHBondContact O-CB 3.48Å; Y237-R308 HydrophobicContact CD1-CB 4.43Å; Y237-R308 PolarHBondContact N-O 2.96Å; Y237-R308 VanDerWaalsContact N-O 3.09Å; Y237-R308 PolarHBondContact O-N 2.88Å |
| 238 | A | 65.6 | Low | 59.2 | Low | 6 Ų | 6 | 67.6 Ų | 67.6 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 144.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L269 L272 M305 E306 | A238-L269 HydrophobicContact CB-CB 4.42Å; A238-L269 PolarHBondContact O-N 3.29Å; A238-L272 HydrophobicContact CB-CB 3.96Å; A238-L272 HydrophobicContact CB-CD2 3.68Å; A238-L272 HydrophobicContact CB-CG 4.48Å; A238-M305 HydrophobicContact CB-CE 3.89Å; A238-E306 CarbonylContact C-O 3.58Å; A238-E306 VanDerWaalsContact CA-O 3.27Å; A238-E306 WeakPolarHBondContact CA-O 3.45Å |
| 239 | F | 67.8 | Low | 57.3 | Low | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139 | 179 | 162.8 | -96.1 | 0 | 0 | 0 | 108.9 | Y237 K261 C263 M305 E306 | Y237-F239 HydrophobicContact CE1-CB 4.18Å; Y237-F239 HydrophobicContact CE2-CB 3.77Å; Y237-F239 VanDerWaalsContact CZ-CB 3.42Å; Y237-F239 WeakPolarHBondContact OH-CB 3.35Å; F239-K261 HydrophobicContact CE1-CD 4.32Å; F239-K261 HydrophobicContact CZ-CB 4.04Å; F239-K261 HydrophobicContact CZ-CD 4.34Å; F239-C263 HydrophobicContact CE2-CB 3.99Å; F239-M305 CarbonylContact O-C 3.51Å; F239-M305 WeakPolarHBondContact O-CA 3.3Å; F239-M305 WeakPolarHBondContact O-CG 3.33Å; F239-E306 HydrophobicContact CD1-CB 4.29Å; F239-E306 PolarHBondContact N-O 3.38Å; F239-E306 PolarHBondContact O-N 3.43Å |
| 240 | F | 67 | Low | 55.3 | Low | 1 Ų | 1 | 67.9 Ų | 67.9 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.7 | 172.5 | 175.9 | -89.2 | 0 | 0 | 0 | 109.9 | F264 A265 S268 L287 F291 P295 Y303 M305 | F240-F264 HydrophobicContact CD1-CB 4.13Å; F240-F264 HydrophobicContact CE1-CB 4.05Å; F240-F264 PolarHBondContact O-N 3.16Å; F240-F264 VanDerWaalsContact O-N 3.09Å; F240-A265 HydrophobicContact CB-CB 4.43Å; F240-A265 HydrophobicContact CD1-CB 4.2Å; F240-S268 VanDerWaalsContact CB-OG 3.28Å; F240-S268 WeakPolarHBondContact CB-OG 3Å; F240-S268 PolarHBondContact N-OG 3.47Å; F240-L287 HydrophobicContact CD2-CD1 4.38Å; F240-L287 HydrophobicContact CD2-CD2 3.8Å; F240-L287 HydrophobicContact CD2-CG 4.05Å; F240-L287 HydrophobicContact CE2-CD2 3.52Å; F240-L287 HydrophobicContact CE2-CG 3.84Å; F240-F291 HydrophobicContact CB-CE2 3.74Å; F240-F291 HydrophobicContact CB-CZ 3.73Å; F240-F291 HydrophobicContact CD1-CD2 4.1Å; F240-F291 AromaticContact CD1-CE2 3.96Å; F240-F291 HydrophobicContact CD1-CE2 3.96Å; F240-F291 HydrophobicContact CD1-CZ 4.45Å; F240-F291 HydrophobicContact CD2-CD2 4.17Å; F240-F291 AromaticContact CD2-CE2 3.64Å; F240-F291 HydrophobicContact CD2-CE2 3.64Å; F240-F291 HydrophobicContact CD2-CZ 4.48Å; F240-F291 HydrophobicContact CE1-CD2 4.44Å; F240-F291 HydrophobicContact CE2-CD2 4.45Å; F240-F291 HydrophobicContact CE2-CE2 4.33Å; F240-F291 HydrophobicContact CG-CD2 4Å; F240-F291 AromaticContact CG-CE2 3.43Å; F240-F291 HydrophobicContact CG-CE2 3.43Å; F240-F291 VanDerWaalsContact CG-CE2 3.43Å; F240-F291 AromaticContact CG-CZ 3.94Å; F240-F291 HydrophobicContact CG-CZ 3.94Å; F240-P295 HydrophobicContact CD1-CB 4.44Å; F240-P295 HydrophobicContact CE1-CB 3.28Å; F240-P295 HydrophobicContact CE1-CG 3.82Å; F240-P295 HydrophobicContact CE2-CG 4.39Å; F240-P295 HydrophobicContact CZ-CB 3.35Å; F240-P295 HydrophobicContact CZ-CG 3.55Å; F240-Y303 HydrophobicContact CZ-CD1 4.34Å; F240-M305 HydrophobicContact CB-CG 4.44Å; F240-M305 HydrophobicContact CD2-CB 4.12Å |
| 241 | G | 65.9 | Low | 53.2 | Low | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | -172.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E262 Y303 K304 | G241-E262 WeakPolarHBondContact CA-O 3.19Å; G241-Y303 WeakPolarHBondContact O-CA 3.2Å; G241-K304 PolarHBondContact N-O 3.48Å; G241-K304 VanDerWaalsContact N-O 3.15Å; G241-K304 PolarHBondContact O-N 3.48Å |
| 242 | A | 60.1 | Low | 50.9 | Low | 3 Ų | 3 | 78.8 Ų | 78.8 | 3% | 0.025 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 149.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E262 Y303 | A242-E262 PolarHBondContact N-O 3.36Å; A242-E262 VanDerWaalsContact N-O 3.11Å; A242-E262 PolarHBondContact O-N 3.18Å; A242-Y303 HydrophobicContact CB-CD1 3.82Å; A242-Y303 HydrophobicContact CB-CE1 3.79Å; A242-Y303 HydrophobicContact CB-CG 4.47Å |
| 243 | L | 49.1 | Very low | 48.8 | Very low | 83 Ų | 83 | 85.4 Ų | 85.4 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 113.6 | 163.2 | -105.1 | 110.6 | 0 | 0 | 0 | 108.1 | R245 K304 | L243-R245 PolarHBondContact O-N 2.96Å; L243-K304 VanDerWaalsContact CD1-NZ 3.33Å |
| 244 | R | 44.1 | Very low | 46.4 | Very low | 135 Ų | 135 | 90.1 Ų | 90.1 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | trans | -63.3 | 111.5 | 167.5 | -103.6 | -176.3 | -169.7 | -179.7 | 9.4 | 108.5 | E246 E262 | R244-E246 PolarHBondContact O-N 3.39Å; R244-E262 IonicContact CZ-OE1 2.72Å; R244-E262 IonicContact NE-OE1 3.3Å; R244-E262 PolarHBondContact NE-OE1 2.89Å; R244-E262 IonicContact NH2-OE1 3.36Å; R244-E262 PolarHBondContact NH2-OE1 3.46Å | ||
| 245 | R | 39.2 | Very low | 44.3 | Very low | 235 Ų | 235 | 96.1 Ų | 96.1 | 89% | 0.887 | 47% | 0.474 | S | S | * | . | trans | -70.7 | 121.8 | 162.1 | -96.8 | 179 | 171.7 | 158.1 | -2.6 | 107.7 | L243 N247 | L243-R245 PolarHBondContact O-N 2.96Å; R245-N247 PolarHBondContact O-N 3.36Å | ||
| 246 | E | 35.6 | Very low | 42.3 | Very low | 142 Ų | 142 | 99.2 Ų | 99.2 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | trans | -41.5 | 121 | 162.4 | -66.1 | 168 | 159.9 | 0 | 0 | 109.4 | R244 | R244-E246 PolarHBondContact O-N 3.39Š| ||
| 247 | N | 30.2 | Very low | 40.9 | Very low | 148 Ų | 148 | 104.4 Ų | 104.4 | 79% | 0.791 | 53% | 0.532 | S | S | * | . | trans | 172.9 | 117.6 | 141.4 | -89.2 | -28.7 | 0 | 0 | 0 | 114.2 | R245 | R245-N247 PolarHBondContact O-N 3.36Š| ||
| 248 | I | 30.7 | Very low | 39.7 | Very low | 134 Ų | 134 | 105 Ų | 105 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 112 | -17.4 | 132 | -64 | 162.5 | 0 | 0 | 0 | 120.9 | ||
| 249 | H | 28.7 | Very low | 38.2 | Very low | 173 Ų | 173 | 109.8 Ų | 109.8 | 80% | 0.801 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -133.7 | 3.8 | -177.3 | -78.7 | -56.6 | 0 | 0 | 0 | 119.8 | ||
| 250 | T | 25.6 | Very low | 36.8 | Very low | 114 Ų | 114 | 113.3 Ų | 113.3 | 70% | 0.699 | 59% | 0.587 | S | S | * | * | trans | -101.2 | 2.8 | -175 | 35.8 | 0 | 0 | 0 | 0 | 116.6 | M252 | T250-M252 PolarHBondContact O-N 2.79Å; T250-M252 VanDerWaalsContact O-N 3.13Å | ||
| 251 | E | 25.3 | Very low | 35.6 | Very low | 192 Ų | 192 | 117.1 Ų | 117.1 | 90% | 0.897 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -9.8 | 177.8 | -77.8 | -166.4 | 162.6 | 0 | 0 | 114.7 | ||
| 252 | M | 30 | Very low | 34.7 | Very low | 162 Ų | 162 | 120 Ų | 120 | 80% | 0.798 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -15.1 | -177.7 | -154.4 | 167.2 | -160 | 0 | 0 | 115.2 | T250 | T250-M252 PolarHBondContact O-N 2.79Å; T250-M252 VanDerWaalsContact O-N 3.13Å |
| 253 | F | 28.6 | Very low | 34.2 | Very low | 181 Ų | 181 | 121.9 Ų | 121.9 | 79% | 0.794 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | -13.6 | -170.7 | -76.2 | -75.4 | 0 | 0 | 0 | 117.9 | ||
| 254 | C | 25.1 | Very low | 34.4 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 68% | 0.676 | 63% | 0.631 | S | S | * | * | trans | -162.9 | 101.3 | 169.3 | -93.2 | 0 | 0 | 0 | 0 | 110.4 | G256 | C254-G256 PolarHBondContact O-N 3.4Š| ||
| 255 | P | 24.6 | Very low | 34.9 | Very low | 134 Ų | 134 | 117.1 Ų | 117.1 | 87% | 0.87 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 117.8 | 172 | 30.1 | -29 | 0 | 0 | 0 | 109.3 | ||
| 256 | G | 26.9 | Very low | 35.4 | Very low | 77 Ų | 77 | 114.3 Ų | 114.3 | 79% | 0.794 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139.5 | 1.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | C254 | C254-G256 PolarHBondContact O-N 3.4Š|
| 257 | Q | 30.1 | Very low | 36.4 | Very low | 139 Ų | 139 | 112.6 Ų | 112.6 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | trans | -104.6 | 99.5 | 178.8 | -75.9 | -173.4 | -51.6 | 0 | 0 | 112.1 | E260 | Q257-E260 PolarHBondContact NE2-OE1 2.93Å; Q257-E260 VanDerWaalsContact NE2-OE1 3.11Å | ||
| 258 | G | 33.3 | Very low | 38 | Very low | 40 Ų | 40 | 105.6 Ų | 105.6 | 41% | 0.412 | 57% | 0.568 | S | S | . | * | trans | -67.4 | 145.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E260 | G258-E260 PolarHBondContact O-N 3.48Š| ||
| 259 | N | 34.7 | Very low | 39.5 | Very low | 107 Ų | 107 | 101.8 Ų | 101.8 | 57% | 0.572 | 55% | 0.548 | S | S | * | . | trans | 26.3 | 58.9 | 160.6 | -65.3 | -13 | 0 | 0 | 0 | 116.8 | K261 | N259-K261 PolarHBondContact O-N 3.37Š| ||
| 260 | E | 38 | Very low | 40.9 | Very low | 79 Ų | 79 | 97.5 Ų | 97.5 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | trans | -73.5 | 117.7 | 176.3 | -62.6 | -170.1 | 152.4 | 0 | 0 | 110.2 | Q257 G258 E262 | Q257-E260 PolarHBondContact NE2-OE1 2.93Å; Q257-E260 VanDerWaalsContact NE2-OE1 3.11Å; G258-E260 PolarHBondContact O-N 3.48Å; E260-E262 PolarHBondContact O-N 2.96Å | ||
| 261 | K | 41.8 | Very low | 42.7 | Very low | 82 Ų | 82 | 94.1 Ų | 94.1 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 115 | 162.5 | -71.6 | -174.7 | 179.2 | -176.1 | 0 | 107.4 | F239 N259 C263 E306 | F239-K261 HydrophobicContact CE1-CD 4.32Å; F239-K261 HydrophobicContact CZ-CB 4.04Å; F239-K261 HydrophobicContact CZ-CD 4.34Å; N259-K261 PolarHBondContact O-N 3.37Å; K261-C263 PolarHBondContact O-N 3.41Å; K261-E306 IonicContact NZ-OE1 3.95Å; K261-E306 IonicContact NZ-OE2 3.91Å; K261-E306 PolarHBondContact NZ-OE2 3.47Å |
| 262 | E | 46.4 | Very low | 44.9 | Very low | 59 Ų | 59 | 85 Ų | 85 | 28% | 0.276 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 117.8 | 175.4 | -77.8 | 178.7 | -174.5 | 0 | 0 | 109.7 | G241 A242 R244 E260 F264 | G241-E262 WeakPolarHBondContact CA-O 3.19Å; A242-E262 PolarHBondContact N-O 3.36Å; A242-E262 VanDerWaalsContact N-O 3.11Å; A242-E262 PolarHBondContact O-N 3.18Å; R244-E262 IonicContact CZ-OE1 2.72Å; R244-E262 IonicContact NE-OE1 3.3Å; R244-E262 PolarHBondContact NE-OE1 2.89Å; R244-E262 IonicContact NH2-OE1 3.36Å; R244-E262 PolarHBondContact NH2-OE1 3.46Å; E260-E262 PolarHBondContact O-N 2.96Å; E262-F264 HydrophobicContact CB-CD2 4.47Å; E262-F264 HydrophobicContact CB-CE2 4.08Å |
| 263 | C | 50.9 | Low | 46.6 | Very low | 43 Ų | 43 | 79.1 Ų | 79.1 | 29% | 0.291 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.7 | 179.3 | -151.2 | 0 | 0 | 0 | 0 | 109.5 | C165 F239 K261 | C165-C263 HydrophobicContact CB-CB 3.41Å; C165-C263 VanDerWaalsContact CB-CB 3.41Å; C165-C263 WeakPolarHBondContact CB-SG 3.34Å; C165-C263 WeakPolarHBondContact SG-CB 3.48Å; C165-C263 CovalentContact SG-SG 2.06Å; C165-C263 PolarHBondContact SG-SG 3.02Å; F239-C263 HydrophobicContact CE2-CB 3.99Å; K261-C263 PolarHBondContact O-N 3.41Å |
| 264 | F | 52.3 | Low | 48.4 | Very low | 103 Ų | 103 | 72.9 Ų | 72.9 | 45% | 0.452 | 41% | 0.414 | S | S | . | . | trans | -102.9 | -20.9 | -178.2 | -90.4 | -90.5 | 0 | 0 | 0 | 113.9 | F240 E262 Y303 | F240-F264 HydrophobicContact CD1-CB 4.13Å; F240-F264 HydrophobicContact CE1-CB 4.05Å; F240-F264 PolarHBondContact O-N 3.16Å; F240-F264 VanDerWaalsContact O-N 3.09Å; E262-F264 HydrophobicContact CB-CD2 4.47Å; E262-F264 HydrophobicContact CB-CE2 4.08Å; F264-Y303 HydrophobicContact CD2-CD1 4.48Å; F264-Y303 AromaticContact CD2-CE1 3.81Å; F264-Y303 HydrophobicContact CD2-CE1 3.81Å; F264-Y303 AromaticContact CE2-CE1 3.72Å; F264-Y303 HydrophobicContact CE2-CE1 3.72Å; F264-Y303 HydrophobicContact CG-CE1 4.41Å; F264-Y303 HydrophobicContact CZ-CE1 4.25Å | ||
| 265 | A | 54.3 | Low | 50.5 | Low | 15 Ų | 15 | 69.2 Ų | 69.2 | 12% | 0.124 | 39% | 0.386 | C | S | . | . | trans | -136.5 | 97.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F240 N267 S268 F291 | F240-A265 HydrophobicContact CB-CB 4.43Å; F240-A265 HydrophobicContact CD1-CB 4.2Å; A265-N267 PolarHBondContact O-N 3.36Å; A265-N267 VanDerWaalsContact O-N 3.12Å; A265-S268 WeakPolarHBondContact O-CB 3.39Å; A265-S268 PolarHBondContact O-N 2.9Å; A265-S268 VanDerWaalsContact O-N 3.17Å; A265-S268 PolarHBondContact O-OG 3.49Å; A265-F291 HydrophobicContact CB-CD1 3.69Å; A265-F291 HydrophobicContact CB-CE1 3.5Å; A265-F291 VanDerWaalsContact CB-CE1 3.5Å; A265-F291 HydrophobicContact CB-CG 4.44Å; A265-F291 HydrophobicContact CB-CZ 4.11Å | ||
| 266 | E | 51.5 | Low | 52.9 | Low | 176 Ų | 176 | 62.9 Ų | 62.9 | 82% | 0.822 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.9 | 178 | -63.6 | -178.7 | 171 | 0 | 0 | 112.8 | S268 | E266-S268 PolarHBondContact O-N 3.33Š|
| 267 | N | 55.3 | Low | 54.9 | Low | 106 Ų | 106 | 61.8 Ų | 61.8 | 57% | 0.567 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 13.3 | -177.6 | -63.1 | -23.9 | 0 | 0 | 0 | 114.4 | A265 L269 L270 L271 | A265-N267 PolarHBondContact O-N 3.36Å; A265-N267 VanDerWaalsContact O-N 3.12Å; N267-L269 PolarHBondContact O-N 2.68Å; N267-L270 PolarHBondContact O-N 2.86Å; N267-L270 VanDerWaalsContact O-N 3.14Å; N267-L271 WeakPolarHBondContact O-CB 3.31Å; N267-L271 PolarHBondContact O-N 3.39Å |
| 268 | S | 64.8 | Low | 56.8 | Low | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.1 | -46.2 | -175.3 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | F240 A265 E266 L271 L272 | F240-S268 VanDerWaalsContact CB-OG 3.28Å; F240-S268 WeakPolarHBondContact CB-OG 3Å; F240-S268 PolarHBondContact N-OG 3.47Å; A265-S268 WeakPolarHBondContact O-CB 3.39Å; A265-S268 PolarHBondContact O-N 2.9Å; A265-S268 VanDerWaalsContact O-N 3.17Å; A265-S268 PolarHBondContact O-OG 3.49Å; E266-S268 PolarHBondContact O-N 3.33Å; S268-L271 PolarHBondContact O-N 3.35Å; S268-L272 PolarHBondContact O-N 3.07Å |
| 269 | L | 62.3 | Low | 58.7 | Low | 54 Ų | 54 | 55.8 Ų | 55.8 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 176.7 | 171.7 | 58.2 | 0 | 0 | 0 | 111.6 | V235 A238 N267 L271 L272 S273 | V235-L269 HydrophobicContact CG1-CD1 3.67Å; A238-L269 HydrophobicContact CB-CB 4.42Å; A238-L269 PolarHBondContact O-N 3.29Å; N267-L269 PolarHBondContact O-N 2.68Å; L269-L271 VanDerWaalsContact C-N 3.32Å; L269-L271 PolarHBondContact O-N 3.19Å; L269-L272 PolarHBondContact O-N 3.49Å; L269-S273 WeakPolarHBondContact O-CB 3.34Å; L269-S273 PolarHBondContact O-N 2.93Å |
| 270 | L | 57.6 | Low | 60.7 | Low | 82 Ų | 82 | 55.5 Ų | 55.5 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | -179.8 | -117.2 | 80 | 0 | 0 | 0 | 111.5 | N267 S273 H274 | N267-L270 PolarHBondContact O-N 2.86Å; N267-L270 VanDerWaalsContact O-N 3.14Å; L270-S273 PolarHBondContact O-N 2.87Å; L270-H274 WeakPolarHBondContact O-CB 3.41Å; L270-H274 PolarHBondContact O-N 3.5Å |
| 271 | L | 62.8 | Low | 62.7 | Low | 43 Ų | 43 | 56.7 Ų | 56.7 | 23% | 0.225 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -51.1 | 177.3 | -171.6 | 65.9 | 0 | 0 | 0 | 110.8 | N267 S268 L269 S273 H274 Y275 L290 F291 | N267-L271 WeakPolarHBondContact O-CB 3.31Å; N267-L271 PolarHBondContact O-N 3.39Å; S268-L271 PolarHBondContact O-N 3.35Å; L269-L271 VanDerWaalsContact C-N 3.32Å; L269-L271 PolarHBondContact O-N 3.19Å; L271-S273 VanDerWaalsContact C-N 3.3Å; L271-S273 PolarHBondContact O-N 3.46Å; L271-H274 WeakPolarHBondContact O-CB 3.49Å; L271-H274 PolarHBondContact O-N 2.91Å; L271-Y275 HydrophobicContact CD1-CD2 4.33Å; L271-Y275 HydrophobicContact CD1-CE2 3.94Å; L271-Y275 HydrophobicContact CG-CD2 4.44Å; L271-Y275 HydrophobicContact CG-CE2 4.38Å; L271-Y275 WeakPolarHBondContact O-CD2 3.45Å; L271-Y275 PolarHBondContact O-N 3.31Å; L271-Y275 VanDerWaalsContact O-N 3.14Å; L271-L290 HydrophobicContact CD2-CD2 3.9Å; L271-L290 HydrophobicContact CD2-CG 3.8Å; L271-F291 HydrophobicContact CD2-CD1 3.79Å; L271-F291 HydrophobicContact CD2-CE1 3.39Å; L271-F291 HydrophobicContact CD2-CZ 3.88Å |
| 272 | L | 71.5 | Confident | 64.3 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 177.8 | -173.4 | 62 | 0 | 0 | 0 | 111.7 | I221 V235 A238 S268 L269 H274 Y275 C276 L284 M305 Y307 | I221-L272 HydrophobicContact CD1-CD1 3.96Å; V235-L272 HydrophobicContact CG1-CB 4.3Å; V235-L272 HydrophobicContact CG1-CD2 3.74Å; V235-L272 HydrophobicContact CG1-CG 3.94Å; V235-L272 HydrophobicContact CG2-CG 4.2Å; A238-L272 HydrophobicContact CB-CB 3.96Å; A238-L272 HydrophobicContact CB-CD2 3.68Å; A238-L272 HydrophobicContact CB-CG 4.48Å; S268-L272 PolarHBondContact O-N 3.07Å; L269-L272 PolarHBondContact O-N 3.49Å; L272-H274 VanDerWaalsContact C-N 3.33Å; L272-H274 PolarHBondContact O-N 3.47Å; L272-Y275 PolarHBondContact O-N 2.68Å; L272-C276 WeakPolarHBondContact O-CB 3.38Å; L272-C276 PolarHBondContact O-N 2.91Å; L272-L284 HydrophobicContact CD1-CD1 3.45Å; L272-L284 VanDerWaalsContact CD1-CD1 3.45Å; L272-L284 HydrophobicContact CD1-CD2 3.51Å; L272-L284 HydrophobicContact CD1-CG 4.1Å; L272-M305 HydrophobicContact CB-CE 4.18Å; L272-Y307 HydrophobicContact CD2-CD2 3.89Å; L272-Y307 HydrophobicContact CD2-CG 3.74Å |
| 273 | S | 65.9 | Low | 65.6 | Low | 40 Ų | 40 | 53.3 Ų | 53.3 | 28% | 0.28 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 175.8 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | L269 L270 L271 Y275 C276 H277 | L269-S273 WeakPolarHBondContact O-CB 3.34Å; L269-S273 PolarHBondContact O-N 2.93Å; L270-S273 PolarHBondContact O-N 2.87Å; L271-S273 VanDerWaalsContact C-N 3.3Å; L271-S273 PolarHBondContact O-N 3.46Å; S273-Y275 VanDerWaalsContact C-N 3.34Å; S273-Y275 PolarHBondContact O-N 3.08Å; S273-C276 PolarHBondContact O-N 3.38Å; S273-H277 WeakPolarHBondContact O-CB 3.43Å; S273-H277 PolarHBondContact O-N 3.24Å; S273-H277 WeakPolarHBondContact OG-CB 3.33Å |
| 274 | H | 66.1 | Low | 66.5 | Low | 49 Ų | 49 | 51.4 Ų | 51.4 | 23% | 0.227 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 175.6 | 176.7 | 81.2 | 0 | 0 | 0 | 112.5 | L270 L271 L272 | L270-H274 WeakPolarHBondContact O-CB 3.41Å; L270-H274 PolarHBondContact O-N 3.5Å; L271-H274 WeakPolarHBondContact O-CB 3.49Å; L271-H274 PolarHBondContact O-N 2.91Å; L272-H274 VanDerWaalsContact C-N 3.33Å; L272-H274 PolarHBondContact O-N 3.47Å |
| 275 | Y | 69.3 | Low | 67.2 | Low | 24 Ų | 24 | 47.7 Ų | 47.7 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.6 | -33.2 | -179.9 | -86.3 | -93.4 | 0 | 0 | 0 | 113.8 | L271 L272 S273 R279 C282 L284 L290 N403 | L271-Y275 HydrophobicContact CD1-CD2 4.33Å; L271-Y275 HydrophobicContact CD1-CE2 3.94Å; L271-Y275 HydrophobicContact CG-CD2 4.44Å; L271-Y275 HydrophobicContact CG-CE2 4.38Å; L271-Y275 WeakPolarHBondContact O-CD2 3.45Å; L271-Y275 PolarHBondContact O-N 3.31Å; L271-Y275 VanDerWaalsContact O-N 3.14Å; L272-Y275 PolarHBondContact O-N 2.68Å; S273-Y275 VanDerWaalsContact C-N 3.34Å; S273-Y275 PolarHBondContact O-N 3.08Å; Y275-R279 VanDerWaalsContact O-CD 3.28Å; Y275-R279 WeakPolarHBondContact O-CD 3.2Å; Y275-R279 PolarHBondContact O-NE 3.3Å; Y275-R279 PolarHBondContact O-NH1 3.38Å; Y275-C282 WeakPolarHBondContact O-CB 3.23Å; Y275-L284 HydrophobicContact CD1-CG 4.34Å; Y275-L284 HydrophobicContact CD2-CD2 4.13Å; Y275-L284 HydrophobicContact CG-CD2 3.93Å; Y275-L284 HydrophobicContact CG-CG 4.15Å; Y275-L290 HydrophobicContact CE2-CD1 4.4Å; Y275-N403 HydrophobicContact CE1-CB 3.77Å; Y275-N403 VanDerWaalsContact OH-CA 3.32Å; Y275-N403 WeakPolarHBondContact OH-CA 3.32Å; Y275-N403 WeakPolarHBondContact OH-CB 3.2Å |
| 276 | C | 74.5 | Confident | 68.1 | Low | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -124.7 | -30.6 | -162.6 | -65.5 | 0 | 0 | 0 | 0 | 115.5 | I233 V235 L272 S273 G278 R279 C282 | I233-C276 WeakPolarHBondContact CB-O 3.3Å; I233-C276 HydrophobicContact CD1-CB 4.48Å; I233-C276 HydrophobicContact CG2-CB 4.08Å; V235-C276 HydrophobicContact CG2-CB 3.97Å; L272-C276 WeakPolarHBondContact O-CB 3.38Å; L272-C276 PolarHBondContact O-N 2.91Å; S273-C276 PolarHBondContact O-N 3.38Å; C276-G278 PolarHBondContact O-N 2.97Å; C276-R279 WeakPolarHBondContact O-CB 3.09Å; C276-R279 PolarHBondContact O-N 3.47Å; C276-R279 VanDerWaalsContact O-N 3.1Å; C276-C282 VanDerWaalsContact CA-SG 3.56Å; C276-C282 HydrophobicContact CB-CB 3.87Å; C276-C282 WeakPolarHBondContact CB-SG 3.39Å; C276-C282 WeakPolarHBondContact SG-CB 3.16Å; C276-C282 CovalentContact SG-SG 2.02Å; C276-C282 PolarHBondContact SG-SG 2.92Å |
| 277 | H | 70 | Confident | 68.7 | Low | 54 Ų | 54 | 39.1 Ų | 39.1 | 25% | 0.25 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 131.1 | -172.9 | -161.5 | 103.8 | 0 | 0 | 0 | 110.6 | I233 V235 S273 R279 | I233-H277 CarbonylContact O-C 3.46Å; I233-H277 WeakPolarHBondContact O-CA 3.4Å; V235-H277 HydrophobicContact CG2-CB 4.32Å; V235-H277 PolarHBondContact N-ND1 2.84Å; S273-H277 WeakPolarHBondContact O-CB 3.43Å; S273-H277 PolarHBondContact O-N 3.24Å; S273-H277 WeakPolarHBondContact OG-CB 3.33Å; H277-R279 VanDerWaalsContact C-N 3.3Å; H277-R279 PolarHBondContact O-N 3.01Å |
| 278 | G | 68.6 | Low | 69.1 | Low | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | R232 I233 C276 V316 | R232-G278 VanDerWaalsContact CD-O 3.25Å; R232-G278 WeakPolarHBondContact CD-O 3.39Å; I233-G278 PolarHBondContact O-N 2.87Å; C276-G278 PolarHBondContact O-N 2.97Å; G278-V316 VanDerWaalsContact CA-CG2 3.5Å |
| 279 | R | 73.7 | Confident | 69 | Low | 51 Ų | 51 | 45.5 Ų | 45.5 | 19% | 0.192 | 22% | 0.216 | C | C | . | . | trans | -96.5 | 155.7 | -179.2 | -57.6 | -173.2 | -177.4 | 179.4 | -5.4 | 111.9 | I233 Y275 C276 H277 | I233-R279 WeakPolarHBondContact CB-O 3.34Å; I233-R279 WeakPolarHBondContact CD1-O 3.35Å; I233-R279 VanDerWaalsContact CG1-O 3.27Å; I233-R279 WeakPolarHBondContact CG1-O 3.36Å; I233-R279 PolarHBondContact N-O 3.49Å; Y275-R279 VanDerWaalsContact O-CD 3.28Å; Y275-R279 WeakPolarHBondContact O-CD 3.2Å; Y275-R279 PolarHBondContact O-NE 3.3Å; Y275-R279 PolarHBondContact O-NH1 3.38Å; C276-R279 WeakPolarHBondContact O-CB 3.09Å; C276-R279 PolarHBondContact O-N 3.47Å; C276-R279 VanDerWaalsContact O-N 3.1Å; H277-R279 VanDerWaalsContact C-N 3.3Å; H277-R279 PolarHBondContact O-N 3.01Å | ||
| 280 | R | 77.1 | Confident | 68.9 | Low | 101 Ų | 101 | 43.8 Ų | 43.8 | 38% | 0.381 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -74.9 | -39.6 | 170.2 | -82.2 | -172.8 | 64.2 | 145.4 | -0.8 | 112.5 | S222 C223 E230 M231 | S222-R280 CarbonylContact C-O 3.59Å; S222-R280 WeakPolarHBondContact CA-O 3.35Å; C223-R280 PolarHBondContact N-O 2.94Å; E230-R280 IonicContact OE1-CZ 2.65Å; E230-R280 IonicContact OE1-NH1 2.78Å; E230-R280 PolarHBondContact OE1-NH1 2.9Å; M231-R280 WeakPolarHBondContact O-CG 3.46Å |
| 281 | K | 80.7 | Confident | 69 | Low | 105 Ų | 105 | 40.9 Ų | 40.9 | 46% | 0.457 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 139.5 | 178.5 | -178.4 | 170.4 | -176.9 | 178.4 | 0 | 108.3 | E220 I221 | E220-K281 WeakPolarHBondContact OE1-CE 3.23Å; E220-K281 IonicContact OE1-NZ 3.69Å; E220-K281 PolarHBondContact OE1-NZ 3.44Å; E220-K281 VanDerWaalsContact OE2-CE 3.28Å; E220-K281 WeakPolarHBondContact OE2-CE 3.31Å; E220-K281 IonicContact OE2-NZ 3.63Å; E220-K281 PolarHBondContact OE2-NZ 3.22Å; I221-K281 CarbonylContact O-C 3.6Å; I221-K281 WeakPolarHBondContact O-CA 3.14Å |
| 282 | C | 74.5 | Confident | 68.2 | Low | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.6 | 170 | 62.8 | 0 | 0 | 0 | 0 | 109.5 | E220 I221 Y275 C276 | E220-C282 WeakPolarHBondContact CA-O 3.43Å; I221-C282 PolarHBondContact N-O 3.37Å; I221-C282 PolarHBondContact O-N 3.46Å; Y275-C282 WeakPolarHBondContact O-CB 3.23Å; C276-C282 VanDerWaalsContact CA-SG 3.56Å; C276-C282 HydrophobicContact CB-CB 3.87Å; C276-C282 WeakPolarHBondContact CB-SG 3.39Å; C276-C282 WeakPolarHBondContact SG-CB 3.16Å; C276-C282 CovalentContact SG-SG 2.02Å; C276-C282 PolarHBondContact SG-SG 2.92Å |
| 283 | T | 74.8 | Confident | 67 | Low | 66 Ų | 66 | 48.6 Ų | 48.6 | 41% | 0.405 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 113.7 | 177.1 | -42.3 | 0 | 0 | 0 | 0 | 106.5 | P218 L219 E220 | P218-T283 HydrophobicContact CB-CG2 4.04Å; L219-T283 CarbonylContact O-C 3.25Å; L219-T283 WeakPolarHBondContact O-CA 3.39Å; E220-T283 HydrophobicContact CG-CG2 3.73Å |
| 284 | L | 69.7 | Low | 66.2 | Low | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 142 | 172.4 | -64 | 105.8 | 0 | 0 | 0 | 109.2 | P218 L219 I221 L272 Y275 L290 | P218-L284 CarbonylContact C-O 3.46Å; P218-L284 VanDerWaalsContact CA-O 3.26Å; P218-L284 WeakPolarHBondContact CA-O 3.21Å; P218-L284 WeakPolarHBondContact CB-O 3.29Å; L219-L284 HydrophobicContact CB-CB 4.26Å; L219-L284 HydrophobicContact CB-CD1 4.32Å; L219-L284 HydrophobicContact CD2-CD1 3.93Å; L219-L284 HydrophobicContact CG-CD1 4.09Å; L219-L284 PolarHBondContact N-O 2.9Å; L219-L284 PolarHBondContact O-N 2.87Å; I221-L284 HydrophobicContact CD1-CD1 4.13Å; L272-L284 HydrophobicContact CD1-CD1 3.45Å; L272-L284 VanDerWaalsContact CD1-CD1 3.45Å; L272-L284 HydrophobicContact CD1-CD2 3.51Å; L272-L284 HydrophobicContact CD1-CG 4.1Å; Y275-L284 HydrophobicContact CD1-CG 4.34Å; Y275-L284 HydrophobicContact CD2-CD2 4.13Å; Y275-L284 HydrophobicContact CG-CD2 3.93Å; Y275-L284 HydrophobicContact CG-CG 4.15Å; L284-L290 HydrophobicContact CB-CD1 3.99Å; L284-L290 HydrophobicContact CD2-CD1 3.9Å; L284-L290 HydrophobicContact CD2-CD2 3.82Å |
| 285 | P | 67.4 | Low | 65.5 | Low | 26 Ų | 26 | 50.4 Ų | 50.4 | 17% | 0.169 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -49 | 156 | 164.6 | -25.4 | 30.8 | 0 | 0 | 0 | 112.1 | L287 R289 L290 | P285-L287 PolarHBondContact O-N 3.44Å; P285-R289 HydrophobicContact CB-CB 4.23Å; P285-L290 HydrophobicContact CB-CD1 4.1Å; P285-L290 HydrophobicContact CG-CD1 3.97Å |
| 286 | A | 71.6 | Confident | 64.9 | Low | 7 Ų | 7 | 50.1 Ų | 50.1 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -48.7 | 142.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E216 Q217 N288 R289 L290 | E216-A286 VanDerWaalsContact C-CB 3.5Å; E216-A286 WeakPolarHBondContact O-CB 3.36Å; Q217-A286 WeakPolarHBondContact O-CA 3.42Å; A286-N288 WeakPolarHBondContact CB-OD1 3.33Å; A286-N288 PolarHBondContact O-N 3.25Å; A286-N288 VanDerWaalsContact O-N 3.1Å; A286-R289 WeakPolarHBondContact O-CA 3.34Å; A286-R289 WeakPolarHBondContact O-CB 3.32Å; A286-R289 PolarHBondContact O-N 2.99Å; A286-L290 PolarHBondContact O-N 2.98Å; A286-L290 VanDerWaalsContact O-N 3.15Å |
| 287 | L | 64.9 | Low | 63.9 | Low | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -30.6 | -168.8 | -151.8 | 70.5 | 0 | 0 | 0 | 113.1 | L212 F240 P285 R289 L290 M305 | L212-L287 HydrophobicContact CD2-CB 4.4Å; L212-L287 HydrophobicContact CD2-CD1 4.23Å; F240-L287 HydrophobicContact CD2-CD1 4.38Å; F240-L287 HydrophobicContact CD2-CD2 3.8Å; F240-L287 HydrophobicContact CD2-CG 4.05Å; F240-L287 HydrophobicContact CE2-CD2 3.52Å; F240-L287 HydrophobicContact CE2-CG 3.84Å; P285-L287 PolarHBondContact O-N 3.44Å; L287-R289 PolarHBondContact O-N 3.41Å; L287-L290 HydrophobicContact CD1-CD2 4.31Å; L287-L290 PolarHBondContact O-N 2.88Å; L287-M305 HydrophobicContact CD1-CB 3.5Å; L287-M305 HydrophobicContact CD1-CG 4.09Å; L287-M305 HydrophobicContact CD1-SD 3.45Å; L287-M305 WeakPolarHBondContact CD1-SD 3.21Å; L287-M305 HydrophobicContact CD2-CB 3.79Å; L287-M305 HydrophobicContact CG-CB 4.26Å |
| 288 | N | 63.8 | Low | 62.8 | Low | 58 Ų | 58 | 54.1 Ų | 54.1 | 31% | 0.31 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -16.7 | 173.2 | 63.9 | -5.3 | 0 | 0 | 0 | 114.4 | A286 C296 | A286-N288 WeakPolarHBondContact CB-OD1 3.33Å; A286-N288 PolarHBondContact O-N 3.25Å; A286-N288 VanDerWaalsContact O-N 3.1Å; N288-C296 VanDerWaalsContact CA-SG 3.56Å; N288-C296 HydrophobicContact CB-CB 4.23Å |
| 289 | R | 62.5 | Low | 62 | Low | 184 Ų | 184 | 62.9 Ų | 62.9 | 69% | 0.694 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -108.1 | -13.5 | 177.3 | -66.3 | -179.6 | -175.4 | -178.1 | 4.3 | 113.1 | P285 A286 L287 | P285-R289 HydrophobicContact CB-CB 4.23Å; A286-R289 WeakPolarHBondContact O-CA 3.34Å; A286-R289 WeakPolarHBondContact O-CB 3.32Å; A286-R289 PolarHBondContact O-N 2.99Å; L287-R289 PolarHBondContact O-N 3.41Å |
| 290 | L | 60.4 | Low | 60.9 | Low | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.8 | -38.3 | -171.8 | -159.4 | 74.4 | 0 | 0 | 0 | 112.6 | L271 Y275 L284 P285 A286 L287 M305 | L271-L290 HydrophobicContact CD2-CD2 3.9Å; L271-L290 HydrophobicContact CD2-CG 3.8Å; Y275-L290 HydrophobicContact CE2-CD1 4.4Å; L284-L290 HydrophobicContact CB-CD1 3.99Å; L284-L290 HydrophobicContact CD2-CD1 3.9Å; L284-L290 HydrophobicContact CD2-CD2 3.82Å; P285-L290 HydrophobicContact CB-CD1 4.1Å; P285-L290 HydrophobicContact CG-CD1 3.97Å; A286-L290 PolarHBondContact O-N 2.98Å; A286-L290 VanDerWaalsContact O-N 3.15Å; L287-L290 HydrophobicContact CD1-CD2 4.31Å; L287-L290 PolarHBondContact O-N 2.88Å; L290-M305 HydrophobicContact CD2-CE 4.28Å; L290-M305 HydrophobicContact CD2-SD 4.07Å |
| 291 | F | 59.1 | Low | 59.8 | Low | 20 Ų | 20 | 65.1 Ų | 65.1 | 9% | 0.088 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -106.5 | 126.5 | 175.1 | -55.1 | -82.4 | 0 | 0 | 0 | 109.3 | F240 A265 L271 T293 P295 M305 | F240-F291 HydrophobicContact CB-CE2 3.74Å; F240-F291 HydrophobicContact CB-CZ 3.73Å; F240-F291 HydrophobicContact CD1-CD2 4.1Å; F240-F291 AromaticContact CD1-CE2 3.96Å; F240-F291 HydrophobicContact CD1-CE2 3.96Å; F240-F291 HydrophobicContact CD1-CZ 4.45Å; F240-F291 HydrophobicContact CD2-CD2 4.17Å; F240-F291 AromaticContact CD2-CE2 3.64Å; F240-F291 HydrophobicContact CD2-CE2 3.64Å; F240-F291 HydrophobicContact CD2-CZ 4.48Å; F240-F291 HydrophobicContact CE1-CD2 4.44Å; F240-F291 HydrophobicContact CE2-CD2 4.45Å; F240-F291 HydrophobicContact CE2-CE2 4.33Å; F240-F291 HydrophobicContact CG-CD2 4Å; F240-F291 AromaticContact CG-CE2 3.43Å; F240-F291 HydrophobicContact CG-CE2 3.43Å; F240-F291 VanDerWaalsContact CG-CE2 3.43Å; F240-F291 AromaticContact CG-CZ 3.94Å; F240-F291 HydrophobicContact CG-CZ 3.94Å; A265-F291 HydrophobicContact CB-CD1 3.69Å; A265-F291 HydrophobicContact CB-CE1 3.5Å; A265-F291 VanDerWaalsContact CB-CE1 3.5Å; A265-F291 HydrophobicContact CB-CG 4.44Å; A265-F291 HydrophobicContact CB-CZ 4.11Å; L271-F291 HydrophobicContact CD2-CD1 3.79Å; L271-F291 HydrophobicContact CD2-CE1 3.39Å; L271-F291 HydrophobicContact CD2-CZ 3.88Å; F291-T293 PolarHBondContact O-N 3.31Å; F291-P295 HydrophobicContact CB-CG 4.13Å; F291-P295 HydrophobicContact CD2-CG 4.33Å; F291-M305 HydrophobicContact CZ-CE 4.18Å |
| 292 | A | 47.4 | Very low | 58.7 | Low | 99 Ų | 99 | 61.8 Ų | 61.8 | 82% | 0.818 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -60 | -19.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H294 | A292-H294 PolarHBondContact O-N 3.43Š|
| 293 | T | 45.5 | Very low | 58.2 | Low | 106 Ų | 106 | 62.5 Ų | 62.5 | 65% | 0.65 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -96 | 69.7 | -176.5 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | F291 P295 | F291-T293 PolarHBondContact O-N 3.31Å; T293-P295 VanDerWaalsContact C-CD 3.46Å; T293-P295 WeakPolarHBondContact O-CA 3.22Å; T293-P295 WeakPolarHBondContact O-CB 3.26Å; T293-P295 WeakPolarHBondContact O-CD 3.32Å |
| 294 | H | 49.1 | Very low | 57.8 | Low | 118 Ų | 118 | 61.1 Ų | 61.1 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | trans | 21.9 | 53.8 | 163.6 | -67.8 | 84.6 | 0 | 0 | 0 | 118.7 | A292 C296 | A292-H294 PolarHBondContact O-N 3.43Å; H294-C296 PolarHBondContact O-N 3.13Å | ||
| 295 | P | 52.1 | Low | 57.8 | Low | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -2.5 | -156.2 | 39 | -41.2 | 0 | 0 | 0 | 114.6 | F240 F291 T293 L297 Y303 | F240-P295 HydrophobicContact CD1-CB 4.44Å; F240-P295 HydrophobicContact CE1-CB 3.28Å; F240-P295 HydrophobicContact CE1-CG 3.82Å; F240-P295 HydrophobicContact CE2-CG 4.39Å; F240-P295 HydrophobicContact CZ-CB 3.35Å; F240-P295 HydrophobicContact CZ-CG 3.55Å; F291-P295 HydrophobicContact CB-CG 4.13Å; F291-P295 HydrophobicContact CD2-CG 4.33Å; T293-P295 VanDerWaalsContact C-CD 3.46Å; T293-P295 WeakPolarHBondContact O-CA 3.22Å; T293-P295 WeakPolarHBondContact O-CB 3.26Å; T293-P295 WeakPolarHBondContact O-CD 3.32Å; P295-L297 VanDerWaalsContact C-N 3.34Å; P295-Y303 VanDerWaalsContact O-CD1 3.23Å; P295-Y303 WeakPolarHBondContact O-CD1 3.12Å; P295-Y303 WeakPolarHBondContact O-CD2 3.46Å; P295-Y303 WeakPolarHBondContact O-CE2 3.49Å |
| 296 | C | 56.6 | Low | 57.8 | Low | 18 Ų | 18 | 61.6 Ų | 61.6 | 12% | 0.122 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 13.3 | -174.7 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | C214 N288 H294 | C214-C296 HydrophobicContact CB-CB 3.51Å; C214-C296 WeakPolarHBondContact CB-SG 3.21Å; C214-C296 WeakPolarHBondContact SG-CA 3.36Å; C214-C296 WeakPolarHBondContact SG-CB 3.27Å; C214-C296 CovalentContact SG-SG 2.03Å; C214-C296 PolarHBondContact SG-SG 3.35Å; N288-C296 VanDerWaalsContact CA-SG 3.56Å; N288-C296 HydrophobicContact CB-CB 4.23Å; H294-C296 PolarHBondContact O-N 3.13Å |
| 297 | L | 53.3 | Low | 57.7 | Low | 90 Ų | 90 | 61.7 Ų | 61.7 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | trans | -125.7 | 141.1 | 179.7 | -75.7 | 171.3 | 0 | 0 | 0 | 112.2 | P295 K299 | P295-L297 VanDerWaalsContact C-N 3.34Å; L297-K299 HydrophobicContact CD2-CG 4.44Å | ||
| 298 | P | 46.5 | Very low | 57.7 | Low | 49 Ų | 49 | 64 Ų | 64 | 32% | 0.318 | 34% | 0.336 | S | S | . | . | S | Bend | cis | -77.2 | 148 | -5.1 | 21.5 | -18.2 | 0 | 0 | 0 | 111.8 | S300 Y301 | P298-S300 PolarHBondContact O-N 2.94Å; P298-Y301 HydrophobicContact CG-CD2 3.54Å; P298-Y301 HydrophobicContact CG-CE2 3.53Å; P298-Y301 PolarHBondContact O-N 3.08Å; P298-Y301 VanDerWaalsContact O-N 3.15Å |
| 299 | K | 52.5 | Low | 58.1 | Low | 185 Ų | 185 | 61.8 Ų | 61.8 | 80% | 0.804 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -54.8 | -20.5 | -177.9 | -73.8 | -177.4 | 177.3 | 178.7 | 0 | 113.5 | L297 Y301 G302 | L297-K299 HydrophobicContact CD2-CG 4.44Å; K299-Y301 VanDerWaalsContact C-N 3.29Å; K299-Y301 PolarHBondContact O-N 3.18Å; K299-G302 PolarHBondContact O-N 3.38Å |
| 300 | S | 49.3 | Very low | 58.3 | Low | 96 Ų | 96 | 57.2 Ų | 57.2 | 67% | 0.671 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -62.3 | -28.1 | 178.9 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | P298 G302 | P298-S300 PolarHBondContact O-N 2.94Å; S300-G302 VanDerWaalsContact C-N 3.27Å; S300-G302 PolarHBondContact O-N 3.3Å |
| 301 | Y | 53.7 | Low | 59.1 | Low | 103 Ų | 103 | 57.4 Ų | 57.4 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -79.7 | -4.3 | -176.5 | -77 | -88 | 0 | 0 | 0 | 114.2 | P298 K299 Y303 | P298-Y301 HydrophobicContact CG-CD2 3.54Å; P298-Y301 HydrophobicContact CG-CE2 3.53Å; P298-Y301 PolarHBondContact O-N 3.08Å; P298-Y301 VanDerWaalsContact O-N 3.15Å; K299-Y301 VanDerWaalsContact C-N 3.29Å; K299-Y301 PolarHBondContact O-N 3.18Å; Y301-Y303 VanDerWaalsContact C-N 3.3Å; Y301-Y303 HydrophobicContact CD2-CE2 4.45Å; Y301-Y303 HydrophobicContact CG-CE2 4.28Å; Y301-Y303 PolarHBondContact O-N 2.8Å |
| 302 | G | 58.3 | Low | 59.6 | Low | 35 Ų | 35 | 58.7 Ų | 58.7 | 36% | 0.361 | 32% | 0.318 | S | S | . | . | trans | 60.4 | 38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | K299 S300 K304 | K299-G302 PolarHBondContact O-N 3.38Å; S300-G302 VanDerWaalsContact C-N 3.27Å; S300-G302 PolarHBondContact O-N 3.3Å; G302-K304 PolarHBondContact O-N 3.31Å | ||
| 303 | Y | 64 | Low | 60.5 | Low | 20 Ų | 20 | 56.2 Ų | 56.2 | 8% | 0.078 | 30% | 0.303 | C | S | . | . | trans | -51.9 | 128.9 | 175.9 | -66.3 | -81.8 | 0 | 0 | 0 | 111 | C214 F240 G241 A242 F264 P295 Y301 | C214-Y303 PolarHBondContact N-O 3.02Å; C214-Y303 VanDerWaalsContact N-O 3.09Å; F240-Y303 HydrophobicContact CZ-CD1 4.34Å; G241-Y303 WeakPolarHBondContact O-CA 3.2Å; A242-Y303 HydrophobicContact CB-CD1 3.82Å; A242-Y303 HydrophobicContact CB-CE1 3.79Å; A242-Y303 HydrophobicContact CB-CG 4.47Å; F264-Y303 HydrophobicContact CD2-CD1 4.48Å; F264-Y303 AromaticContact CD2-CE1 3.81Å; F264-Y303 HydrophobicContact CD2-CE1 3.81Å; F264-Y303 AromaticContact CE2-CE1 3.72Å; F264-Y303 HydrophobicContact CE2-CE1 3.72Å; F264-Y303 HydrophobicContact CG-CE1 4.41Å; F264-Y303 HydrophobicContact CZ-CE1 4.25Å; P295-Y303 VanDerWaalsContact O-CD1 3.23Å; P295-Y303 WeakPolarHBondContact O-CD1 3.12Å; P295-Y303 WeakPolarHBondContact O-CD2 3.46Å; P295-Y303 WeakPolarHBondContact O-CE2 3.49Å; Y301-Y303 VanDerWaalsContact C-N 3.3Å; Y301-Y303 HydrophobicContact CD2-CE2 4.45Å; Y301-Y303 HydrophobicContact CG-CE2 4.28Å; Y301-Y303 PolarHBondContact O-N 2.8Å | ||
| 304 | K | 67 | Low | 61.2 | Low | 36 Ų | 36 | 53.3 Ų | 53.3 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.3 | 179 | 58.9 | 170.3 | 170.8 | 172.9 | 0 | 112.1 | P211 L212 G241 L243 G302 E306 | P211-K304 HydrophobicContact CB-CD 3.78Å; L212-K304 WeakPolarHBondContact O-CA 3.41Å; L212-K304 WeakPolarHBondContact O-CB 3.13Å; G241-K304 PolarHBondContact N-O 3.48Å; G241-K304 VanDerWaalsContact N-O 3.15Å; G241-K304 PolarHBondContact O-N 3.48Å; L243-K304 VanDerWaalsContact CD1-NZ 3.33Å; G302-K304 PolarHBondContact O-N 3.31Å; K304-E306 HydrophobicContact CD-CG 4.13Å; K304-E306 WeakPolarHBondContact CE-OE1 3.3Å; K304-E306 IonicContact NZ-OE1 2.66Å; K304-E306 PolarHBondContact NZ-OE1 2.96Å |
| 305 | M | 68.9 | Low | 61.6 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.4 | 164.2 | -163.4 | 171 | -166.9 | 0 | 0 | 108.7 | L212 A238 F239 F240 L272 L287 L290 F291 Y307 | L212-M305 PolarHBondContact N-O 3.41Å; L212-M305 PolarHBondContact O-N 3.23Å; A238-M305 HydrophobicContact CB-CE 3.89Å; F239-M305 CarbonylContact O-C 3.51Å; F239-M305 WeakPolarHBondContact O-CA 3.3Å; F239-M305 WeakPolarHBondContact O-CG 3.33Å; F240-M305 HydrophobicContact CB-CG 4.44Å; F240-M305 HydrophobicContact CD2-CB 4.12Å; L272-M305 HydrophobicContact CB-CE 4.18Å; L287-M305 HydrophobicContact CD1-CB 3.5Å; L287-M305 HydrophobicContact CD1-CG 4.09Å; L287-M305 HydrophobicContact CD1-SD 3.45Å; L287-M305 WeakPolarHBondContact CD1-SD 3.21Å; L287-M305 HydrophobicContact CD2-CB 3.79Å; L287-M305 HydrophobicContact CG-CB 4.26Å; L290-M305 HydrophobicContact CD2-CE 4.28Å; L290-M305 HydrophobicContact CD2-SD 4.07Å; F291-M305 HydrophobicContact CZ-CE 4.18Å; M305-Y307 HydrophobicContact CG-CD1 4.42Å |
| 306 | E | 66.8 | Low | 61.8 | Low | 38 Ų | 38 | 53.7 Ų | 53.7 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 133.1 | 167.8 | -70.5 | -179.3 | 164.1 | 0 | 0 | 107.7 | Y237 A238 F239 K261 K304 | Y237-E306 HydrophobicContact CE1-CB 4.02Å; A238-E306 CarbonylContact C-O 3.58Å; A238-E306 VanDerWaalsContact CA-O 3.27Å; A238-E306 WeakPolarHBondContact CA-O 3.45Å; F239-E306 HydrophobicContact CD1-CB 4.29Å; F239-E306 PolarHBondContact N-O 3.38Å; F239-E306 PolarHBondContact O-N 3.43Å; K261-E306 IonicContact NZ-OE1 3.95Å; K261-E306 IonicContact NZ-OE2 3.91Å; K261-E306 PolarHBondContact NZ-OE2 3.47Å; K304-E306 HydrophobicContact CD-CG 4.13Å; K304-E306 WeakPolarHBondContact CE-OE1 3.3Å; K304-E306 IonicContact NZ-OE1 2.66Å; K304-E306 PolarHBondContact NZ-OE1 2.96Å |
| 307 | Y | 69.7 | Low | 62 | Low | 9 Ų | 9 | 64.3 Ų | 64.3 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 155.1 | 179.8 | 61.9 | -84.6 | 0 | 0 | 0 | 111.3 | V210 L219 I221 Y237 L272 M305 Y309 | V210-Y307 HydrophobicContact CB-CE1 4.34Å; L219-Y307 HydrophobicContact CD1-CE1 4.28Å; L219-Y307 WeakPolarHBondContact CD1-OH 3.36Å; L219-Y307 HydrophobicContact CD2-CD1 4.16Å; L219-Y307 HydrophobicContact CD2-CE1 3.47Å; L219-Y307 VanDerWaalsContact CD2-CE1 3.47Å; L219-Y307 HydrophobicContact CD2-CE2 4.3Å; I221-Y307 HydrophobicContact CD1-CD2 3.99Å; I221-Y307 HydrophobicContact CD1-CE2 3.59Å; I221-Y307 HydrophobicContact CG1-CE2 4.14Å; Y237-Y307 CarbonylContact O-C 3.51Å; Y237-Y307 VanDerWaalsContact O-CA 3.22Å; Y237-Y307 WeakPolarHBondContact O-CA 3.48Å; Y237-Y307 VanDerWaalsContact O-CB 3.32Å; Y237-Y307 WeakPolarHBondContact O-CB 3.48Å; L272-Y307 HydrophobicContact CD2-CD2 3.89Å; L272-Y307 HydrophobicContact CD2-CG 3.74Å; M305-Y307 HydrophobicContact CG-CD1 4.42Å; Y307-Y309 HydrophobicContact CD2-CD1 4.18Å; Y307-Y309 HydrophobicContact CE2-CD1 4.04Å; Y307-Y309 HydrophobicContact CE2-CE1 4.13Å |
| 308 | R | 65.8 | Low | 62.5 | Low | 51 Ų | 51 | 61.7 Ų | 61.7 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.8 | 175.3 | -161.1 | -179.6 | 91.3 | 179.6 | 6.6 | 110.3 | L174 V207 D236 Y237 | L174-R308 VanDerWaalsContact CB-NH1 3.31Å; L174-R308 HydrophobicContact CD1-CB 3.66Å; L174-R308 HydrophobicContact CD1-CG 4.27Å; L174-R308 VanDerWaalsContact CD2-CZ 3.49Å; V207-R308 HydrophobicContact CG1-CG 4.01Å; D236-R308 HydrophobicContact CB-CB 4.34Å; D236-R308 PolarHBondContact N-O 3.41Å; D236-R308 IonicContact OD2-CZ 3.42Å; D236-R308 IonicContact OD2-NE 2.65Å; D236-R308 PolarHBondContact OD2-NE 3.23Å; D236-R308 IonicContact OD2-NH2 3.02Å; D236-R308 PolarHBondContact OD2-NH2 3.14Å; Y237-R308 HydrophobicContact CD1-CB 4.43Å; Y237-R308 PolarHBondContact N-O 2.96Å; Y237-R308 VanDerWaalsContact N-O 3.09Å; Y237-R308 PolarHBondContact O-N 2.88Å |
| 309 | Y | 71.2 | Confident | 63.1 | Low | 12 Ų | 12 | 66.8 Ų | 66.8 | 5% | 0.047 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 163.1 | 171.9 | 70.8 | -81.2 | 0 | 0 | 0 | 110.5 | I221 I233 A234 Y307 | I221-Y309 HydrophobicContact CD1-CD1 4.43Å; I221-Y309 HydrophobicContact CG2-CD1 3.82Å; I221-Y309 HydrophobicContact CG2-CD2 3.76Å; I221-Y309 HydrophobicContact CG2-CE1 3.58Å; I221-Y309 HydrophobicContact CG2-CE2 3.5Å; I221-Y309 VanDerWaalsContact CG2-CE2 3.5Å; I221-Y309 HydrophobicContact CG2-CG 3.92Å; I221-Y309 VanDerWaalsContact CG2-CZ 3.42Å; I233-Y309 HydrophobicContact CG2-CD2 3.96Å; I233-Y309 HydrophobicContact CG2-CG 4.2Å; A234-Y309 CarbonylContact O-C 3.49Å; A234-Y309 WeakPolarHBondContact O-CA 3.22Å; A234-Y309 WeakPolarHBondContact O-CB 3.4Å; Y307-Y309 HydrophobicContact CD2-CD1 4.18Å; Y307-Y309 HydrophobicContact CE2-CD1 4.04Å; Y307-Y309 HydrophobicContact CE2-CE1 4.13Å |
| 310 | R | 66.3 | Low | 63.4 | Low | 89 Ų | 89 | 66.2 Ų | 66.2 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 150.5 | 171.8 | -70.5 | 178 | -69 | 140 | 3.6 | 109.7 | A234 D236 | A234-R310 PolarHBondContact N-O 3.46Å; A234-R310 PolarHBondContact O-N 2.91Å; D236-R310 IonicContact OD1-CZ 2.84Å; D236-R310 IonicContact OD1-NE 3.41Å; D236-R310 PolarHBondContact OD1-NE 3.34Å; D236-R310 IonicContact OD1-NH2 3.74Å; D236-R310 PolarHBondContact OD1-NH2 3.39Å; D236-R310 WeakPolarHBondContact OD2-CD 3.34Å; D236-R310 WeakPolarHBondContact OD2-CG 3.17Å; D236-R310 IonicContact OD2-CZ 3.02Å; D236-R310 IonicContact OD2-NE 2.77Å; D236-R310 PolarHBondContact OD2-NE 3.5Å; D236-R310 IonicContact OD2-NH2 3.78Å |
| 311 | C | 77.5 | Confident | 64.2 | Low | 22 Ų | 22 | 72.4 Ų | 72.4 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.2 | 169.5 | -65 | 0 | 0 | 0 | 0 | 109.3 | C223 M231 R232 | C223-C311 WeakPolarHBondContact CA-SG 3.48Å; C223-C311 HydrophobicContact CB-CB 3.73Å; C223-C311 WeakPolarHBondContact CB-SG 3.48Å; C223-C311 WeakPolarHBondContact SG-CA 3.35Å; C223-C311 WeakPolarHBondContact SG-CB 3.43Å; C223-C311 CovalentContact SG-SG 2.03Å; C223-C311 PolarHBondContact SG-SG 2.87Å; M231-C311 HydrophobicContact CB-CB 4.24Å; M231-C311 HydrophobicContact CE-CB 3.9Å; M231-C311 WeakPolarHBondContact CE-O 3.34Å; R232-C311 WeakPolarHBondContact O-CA 3.26Å |
| 312 | V | 69.7 | Low | 65 | Low | 48 Ų | 48 | 69.2 Ų | 69.2 | 29% | 0.291 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.4 | -179 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | M231 R232 A234 | M231-V312 WeakPolarHBondContact CA-O 3.29Å; R232-V312 PolarHBondContact N-O 3.15Å; R232-V312 PolarHBondContact O-N 3.34Å; A234-V312 HydrophobicContact CB-CG1 4.15Å; A234-V312 HydrophobicContact CB-CG2 3.89Å |
| 313 | G | 66 | Low | 65.7 | Low | 47 Ų | 47 | 69.2 Ų | 69.2 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 134.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 314 | G | 61.9 | Low | 66.2 | Low | 44 Ų | 44 | 71.8 Ų | 71.8 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 106.9 | 178.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 315 | T | 56.2 | Low | 66.4 | Low | 112 Ų | 112 | 70.9 Ų | 70.9 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -80 | 135.3 | -176.3 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 316 | V | 56.5 | Low | 66.2 | Low | 24 Ų | 24 | 74.3 Ų | 74.3 | 15% | 0.145 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 133.8 | 171.1 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | G278 | G278-V316 VanDerWaalsContact CA-CG2 3.5Š|
| 317 | R | 60.6 | Low | 66 | Low | 240 Ų | 240 | 72.7 Ų | 72.7 | 91% | 0.906 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 123.1 | 175.2 | -77.2 | -175.8 | -175.4 | 158.2 | 2.1 | 110.9 | ||
| 318 | C | 63.2 | Low | 65.9 | Low | 36 Ų | 36 | 73.9 Ų | 73.9 | 24% | 0.243 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 155.3 | 173.7 | -68.7 | 0 | 0 | 0 | 0 | 112.9 | T322 E324 C329 | C318-T322 WeakPolarHBondContact CB-OG1 3.37Å; C318-E324 VanDerWaalsContact SG-CB 3.53Å; C318-C329 WeakPolarHBondContact CA-SG 3.33Å; C318-C329 HydrophobicContact CB-CB 3.75Å; C318-C329 WeakPolarHBondContact CB-SG 3.42Å; C318-C329 WeakPolarHBondContact SG-CA 3.38Å; C318-C329 WeakPolarHBondContact SG-CB 3.46Å; C318-C329 CovalentContact SG-SG 2.04Å; C318-C329 PolarHBondContact SG-SG 3.29Å |
| 319 | H | 59.8 | Low | 66.2 | Low | 156 Ų | 156 | 74.1 Ų | 74.1 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 164.9 | -179.1 | -164.3 | 66.5 | 0 | 0 | 0 | 112.6 | R321 T322 | H319-R321 PolarHBondContact O-N 3.36Å; H319-T322 PolarHBondContact N-OG1 2.81Å; H319-T322 VanDerWaalsContact N-OG1 3.13Å; H319-T322 PolarHBondContact O-N 2.97Å; H319-T322 VanDerWaalsContact O-N 3.13Å; H319-T322 PolarHBondContact O-OG1 2.97Å |
| 320 | H | 59.5 | Low | 66.4 | Low | 173 Ų | 173 | 74.7 Ų | 74.7 | 80% | 0.801 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 138.1 | 179.9 | -127.2 | -44 | 0 | 0 | 0 | 111.8 | T322 | H320-T322 PolarHBondContact O-N 2.98Š|
| 321 | R | 64.9 | Low | 67 | Low | 225 Ų | 225 | 76 Ų | 76 | 85% | 0.849 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 17.6 | -174.7 | -53 | -177.9 | 178.9 | 179.1 | 0.6 | 114.8 | H319 | H319-R321 PolarHBondContact O-N 3.36Š|
| 322 | T | 71.2 | Confident | 67 | Low | 36 Ų | 36 | 76.9 Ų | 76.9 | 22% | 0.221 | 39% | 0.392 | C | S | . | . | trans | -113 | 155.2 | 165.2 | 67.8 | 0 | 0 | 0 | 0 | 109 | C318 H319 H320 L330 K331 | C318-T322 WeakPolarHBondContact CB-OG1 3.37Å; H319-T322 PolarHBondContact N-OG1 2.81Å; H319-T322 VanDerWaalsContact N-OG1 3.13Å; H319-T322 PolarHBondContact O-N 2.97Å; H319-T322 VanDerWaalsContact O-N 3.13Å; H319-T322 PolarHBondContact O-OG1 2.97Å; H320-T322 PolarHBondContact O-N 2.98Å; T322-L330 CarbonylContact C-O 3.58Å; T322-L330 WeakPolarHBondContact CA-O 3.33Å; T322-L330 VanDerWaalsContact CB-O 3.24Å; T322-L330 WeakPolarHBondContact CB-O 3.45Å; T322-K331 HydrophobicContact CG2-CB 3.98Å; T322-K331 HydrophobicContact CG2-CD 4.34Å; T322-K331 HydrophobicContact CG2-CG 4.29Å | ||
| 323 | F | 73.9 | Confident | 67.2 | Low | 36 Ų | 36 | 78.9 Ų | 78.9 | 16% | 0.158 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.7 | 176.4 | 53.3 | -86.6 | 0 | 0 | 0 | 109.2 | L330 L332 T368 A372 | F323-L330 HydrophobicContact CD1-CB 4.44Å; F323-L330 WeakPolarHBondContact CD1-O 3.33Å; F323-L330 HydrophobicContact CD2-CB 3.79Å; F323-L330 HydrophobicContact CD2-CD1 4.16Å; F323-L330 HydrophobicContact CE1-CB 4.07Å; F323-L330 HydrophobicContact CE2-CB 3.4Å; F323-L330 VanDerWaalsContact CE2-CB 3.4Å; F323-L330 HydrophobicContact CE2-CD1 3.53Å; F323-L330 HydrophobicContact CE2-CG 4.09Å; F323-L330 HydrophobicContact CG-CB 4.32Å; F323-L330 HydrophobicContact CZ-CB 3.55Å; F323-L330 HydrophobicContact CZ-CD1 4.25Å; F323-L330 PolarHBondContact N-O 3.34Å; F323-L330 PolarHBondContact O-N 3.36Å; F323-L332 HydrophobicContact CE1-CB 4.37Å; F323-T368 HydrophobicContact CD2-CG2 3.45Å; F323-T368 VanDerWaalsContact CD2-CG2 3.45Å; F323-T368 HydrophobicContact CE2-CG2 3.77Å; F323-A372 HydrophobicContact CD1-CB 3.78Å; F323-A372 HydrophobicContact CE1-CB 3.47Å; F323-A372 VanDerWaalsContact CE1-CB 3.47Å; F323-A372 HydrophobicContact CE2-CB 4.25Å; F323-A372 HydrophobicContact CG-CB 4.31Å; F323-A372 HydrophobicContact CZ-CB 3.72Å |
| 324 | E | 73 | Confident | 67.2 | Low | 73 Ų | 73 | 79.8 Ų | 79.8 | 34% | 0.341 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 136.2 | 176.8 | -167.7 | -95.4 | -179.8 | 0 | 0 | 109.6 | R232 C318 G327 T328 | R232-E324 IonicContact NH1-OE1 2.67Å; R232-E324 PolarHBondContact NH1-OE1 3.33Å; C318-E324 VanDerWaalsContact SG-CB 3.53Å; E324-G327 VanDerWaalsContact OE1-CA 3.25Å; E324-G327 WeakPolarHBondContact OE1-CA 3.29Å; E324-G327 PolarHBondContact OE1-N 3.49Å; E324-T328 WeakPolarHBondContact CA-O 3.33Å |
| 325 | H | 71.3 | Confident | 67.1 | Low | 17 Ų | 17 | 81.6 Ų | 81.6 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 115.9 | 168.3 | -173.7 | 64.2 | 0 | 0 | 0 | 109 | G327 T328 L330 D364 I365 T368 | H325-G327 VanDerWaalsContact C-N 3.35Å; H325-G327 PolarHBondContact O-N 3.36Å; H325-T328 PolarHBondContact N-O 3.03Å; H325-T328 WeakPolarHBondContact O-CB 3.32Å; H325-T328 PolarHBondContact O-N 3.24Å; H325-L330 HydrophobicContact CB-CD1 3.63Å; H325-L330 HydrophobicContact CB-CG 4.43Å; H325-D364 IonicContact CE1-OD1 3.5Å; H325-D364 PolarHBondContact CE1-OD1 2.93Å; H325-D364 IonicContact CE1-OD2 3.45Å; H325-D364 PolarHBondContact CE1-OD2 3.42Å; H325-D364 IonicContact NE2-OD1 3.93Å; H325-I365 WeakPolarHBondContact NE2-CB 3.36Å; H325-T368 HydrophobicContact CB-CG2 4.26Å; H325-T368 PolarHBondContact ND1-OG1 3.39Å |
| 326 | D | 64.4 | Low | 67 | Low | 73 Ų | 73 | 86.5 Ų | 86.5 | 39% | 0.39 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 49.2 | 179.6 | -154.5 | 10.4 | 0 | 0 | 0 | 113.5 | T328 R362 | D326-T328 PolarHBondContact O-N 3.46Å; D326-R362 IonicContact OD1-NH1 3.42Å; D326-R362 WeakPolarHBondContact OD2-CD 3.49Å; D326-R362 IonicContact OD2-CZ 3.61Å; D326-R362 IonicContact OD2-NE 2.82Å; D326-R362 IonicContact OD2-NH1 3.27Å; D326-R362 PolarHBondContact OD2-NH1 3.48Å |
| 327 | G | 63.1 | Low | 66.8 | Low | 3 Ų | 3 | 93 Ų | 93 | 3% | 0.031 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | E324 H325 | E324-G327 VanDerWaalsContact OE1-CA 3.25Å; E324-G327 WeakPolarHBondContact OE1-CA 3.29Å; E324-G327 PolarHBondContact OE1-N 3.49Å; H325-G327 VanDerWaalsContact C-N 3.35Å; H325-G327 PolarHBondContact O-N 3.36Å |
| 328 | T | 67.2 | Low | 66.2 | Low | 34 Ų | 34 | 85.7 Ų | 85.7 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.9 | 179.8 | -49.6 | 0 | 0 | 0 | 0 | 110.4 | E324 H325 D326 L330 | E324-T328 WeakPolarHBondContact CA-O 3.33Å; H325-T328 PolarHBondContact N-O 3.03Å; H325-T328 WeakPolarHBondContact O-CB 3.32Å; H325-T328 PolarHBondContact O-N 3.24Å; D326-T328 PolarHBondContact O-N 3.46Å; T328-L330 HydrophobicContact CG2-CD2 4.27Å |
| 329 | C | 71.9 | Confident | 65.8 | Low | 57 Ų | 57 | 92.4 Ų | 92.4 | 39% | 0.385 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 116.8 | 175.4 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | C318 | C318-C329 WeakPolarHBondContact CA-SG 3.33Å; C318-C329 HydrophobicContact CB-CB 3.75Å; C318-C329 WeakPolarHBondContact CB-SG 3.42Å; C318-C329 WeakPolarHBondContact SG-CA 3.38Å; C318-C329 WeakPolarHBondContact SG-CB 3.46Å; C318-C329 CovalentContact SG-SG 2.04Å; C318-C329 PolarHBondContact SG-SG 3.29Å |
| 330 | L | 76.9 | Confident | 65.9 | Low | 23 Ų | 23 | 90.8 Ų | 90.8 | 12% | 0.12 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 141.8 | -177.9 | -62.6 | 174.9 | 0 | 0 | 0 | 110.6 | T322 F323 H325 T328 V358 I365 | T322-L330 CarbonylContact C-O 3.58Å; T322-L330 WeakPolarHBondContact CA-O 3.33Å; T322-L330 VanDerWaalsContact CB-O 3.24Å; T322-L330 WeakPolarHBondContact CB-O 3.45Å; F323-L330 HydrophobicContact CD1-CB 4.44Å; F323-L330 WeakPolarHBondContact CD1-O 3.33Å; F323-L330 HydrophobicContact CD2-CB 3.79Å; F323-L330 HydrophobicContact CD2-CD1 4.16Å; F323-L330 HydrophobicContact CE1-CB 4.07Å; F323-L330 HydrophobicContact CE2-CB 3.4Å; F323-L330 VanDerWaalsContact CE2-CB 3.4Å; F323-L330 HydrophobicContact CE2-CD1 3.53Å; F323-L330 HydrophobicContact CE2-CG 4.09Å; F323-L330 HydrophobicContact CG-CB 4.32Å; F323-L330 HydrophobicContact CZ-CB 3.55Å; F323-L330 HydrophobicContact CZ-CD1 4.25Å; F323-L330 PolarHBondContact N-O 3.34Å; F323-L330 PolarHBondContact O-N 3.36Å; H325-L330 HydrophobicContact CB-CD1 3.63Å; H325-L330 HydrophobicContact CB-CG 4.43Å; T328-L330 HydrophobicContact CG2-CD2 4.27Å; L330-V358 HydrophobicContact CD1-CG2 4.32Å; L330-V358 HydrophobicContact CD2-CB 4.21Å; L330-V358 HydrophobicContact CD2-CG2 3.45Å; L330-V358 VanDerWaalsContact CD2-CG2 3.45Å; L330-I365 HydrophobicContact CD1-CD1 4.1Å |
| 331 | K | 78.2 | Confident | 66.4 | Low | 116 Ų | 116 | 85.2 Ų | 85.2 | 50% | 0.504 | 40% | 0.396 | S | S | . | . | trans | -127.3 | 129.5 | 175.9 | -172.1 | 173.2 | 173.8 | -175.7 | 0 | 109.7 | T322 F333 | T322-K331 HydrophobicContact CG2-CB 3.98Å; T322-K331 HydrophobicContact CG2-CD 4.34Å; T322-K331 HydrophobicContact CG2-CG 4.29Å; K331-F333 HydrophobicContact CB-CE2 4.17Å; K331-F333 HydrophobicContact CD-CE1 4.15Å; K331-F333 HydrophobicContact CD-CE2 4Å; K331-F333 HydrophobicContact CD-CZ 3.66Å; K331-F333 HydrophobicContact CG-CD2 4.46Å; K331-F333 HydrophobicContact CG-CE2 4.06Å; K331-F333 HydrophobicContact CG-CZ 4.2Å | ||
| 332 | L | 77.9 | Confident | 66.9 | Low | 42 Ų | 42 | 75.2 Ų | 75.2 | 22% | 0.22 | 36% | 0.36 | C | S | . | . | trans | -91.1 | 121 | 176.2 | -146.5 | 83.9 | 0 | 0 | 0 | 109.5 | F323 L334 L369 M373 A376 M383 | F323-L332 HydrophobicContact CE1-CB 4.37Å; L332-L334 HydrophobicContact CD2-CD1 3.31Å; L332-L334 HydrophobicContact CD2-CD2 4.29Å; L332-L334 HydrophobicContact CD2-CG 3.63Å; L332-L334 HydrophobicContact CG-CD1 4.33Å; L332-L334 HydrophobicContact CG-CG 4.17Å; L332-L369 HydrophobicContact CD1-CD2 4.14Å; L332-M373 HydrophobicContact CD2-CG 4.31Å; L332-M373 HydrophobicContact CD2-SD 3.5Å; L332-M373 VanDerWaalsContact CD2-SD 3.5Å; L332-A376 HydrophobicContact CD2-CB 4.27Å; L332-M383 HydrophobicContact CD1-SD 3.75Å; L332-M383 HydrophobicContact CG-SD 4.33Å | ||
| 333 | F | 73.4 | Confident | 67.2 | Low | 89 Ų | 89 | 74.6 Ų | 74.6 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | trans | -99.8 | 90.3 | 173.9 | -68.9 | -88.8 | 0 | 0 | 0 | 109.4 | K331 H349 | K331-F333 HydrophobicContact CB-CE2 4.17Å; K331-F333 HydrophobicContact CD-CE1 4.15Å; K331-F333 HydrophobicContact CD-CE2 4Å; K331-F333 HydrophobicContact CD-CZ 3.66Å; K331-F333 HydrophobicContact CG-CD2 4.46Å; K331-F333 HydrophobicContact CG-CE2 4.06Å; K331-F333 HydrophobicContact CG-CZ 4.2Å; F333-H349 AromaticContact CD1-NE2 3.68Å; F333-H349 AromaticContact CE1-NE2 3.57Å | ||
| 334 | L | 65.7 | Low | 67.1 | Low | 66 Ų | 66 | 75.6 Ų | 75.6 | 35% | 0.346 | 37% | 0.369 | S | S | . | . | trans | -105.9 | 91 | 171.6 | -67.5 | 164.5 | 0 | 0 | 0 | 108 | L332 M373 A376 A378 A381 | L332-L334 HydrophobicContact CD2-CD1 3.31Å; L332-L334 HydrophobicContact CD2-CD2 4.29Å; L332-L334 HydrophobicContact CD2-CG 3.63Å; L332-L334 HydrophobicContact CG-CD1 4.33Å; L332-L334 HydrophobicContact CG-CG 4.17Å; L334-M373 HydrophobicContact CD1-SD 4.38Å; L334-A376 HydrophobicContact CD1-CB 3.42Å; L334-A376 VanDerWaalsContact CD1-CB 3.42Å; L334-A378 HydrophobicContact CD1-CB 3.52Å; L334-A378 HydrophobicContact CD2-CB 4.05Å; L334-A378 HydrophobicContact CG-CB 4.42Å; L334-A381 HydrophobicContact CD2-CB 3.89Å | ||
| 335 | D | 59.4 | Low | 67 | Low | 83 Ų | 83 | 75.7 Ų | 75.7 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | trans | -104.9 | 117.5 | 170.8 | -166.6 | -11.6 | 0 | 0 | 0 | 109.3 | K337 L338 | D335-K337 PolarHBondContact O-N 2.84Å; D335-K337 WeakPolarHBondContact OD1-CA 3.49Å; D335-K337 WeakPolarHBondContact OD1-CB 3.38Å; D335-K337 PolarHBondContact OD1-N 2.91Å; D335-L338 HydrophobicContact CB-CB 3.88Å; D335-L338 HydrophobicContact CB-CD1 3.59Å; D335-L338 HydrophobicContact CB-CG 3.87Å; D335-L338 WeakPolarHBondContact OD2-CD1 3.46Å; D335-L338 WeakPolarHBondContact OD2-CG 3.35Å | ||
| 336 | R | 54.9 | Low | 67.2 | Low | 215 Ų | 215 | 75.4 Ų | 75.4 | 81% | 0.811 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -71.3 | -17 | 174.7 | -69 | -173 | -178 | -174.2 | 2.5 | 112.2 | ||
| 337 | K | 51.6 | Low | 68 | Low | 160 Ų | 160 | 75.1 Ų | 75.1 | 70% | 0.696 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -96 | -23.9 | -179.9 | -64.8 | -169.7 | 177.9 | -173.4 | 0 | 113.3 | D335 K339 | D335-K337 PolarHBondContact O-N 2.84Å; D335-K337 WeakPolarHBondContact OD1-CA 3.49Å; D335-K337 WeakPolarHBondContact OD1-CB 3.38Å; D335-K337 PolarHBondContact OD1-N 2.91Å; K337-K339 PolarHBondContact O-N 3.47Å |
| 338 | L | 48.3 | Very low | 68.2 | Low | 86 Ų | 86 | 80.8 Ų | 80.8 | 45% | 0.45 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -68.7 | 125.2 | 172.8 | -80.4 | 163.5 | 0 | 0 | 0 | 108.7 | D335 M340 | D335-L338 HydrophobicContact CB-CB 3.88Å; D335-L338 HydrophobicContact CB-CD1 3.59Å; D335-L338 HydrophobicContact CB-CG 3.87Å; D335-L338 WeakPolarHBondContact OD2-CD1 3.46Å; D335-L338 WeakPolarHBondContact OD2-CG 3.35Å; L338-M340 PolarHBondContact O-N 2.95Å |
| 339 | K | 55.4 | Low | 68.3 | Low | 177 Ų | 177 | 82.3 Ų | 82.3 | 77% | 0.77 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 139.4 | 161.4 | -77.9 | 179.5 | 176.1 | 176.8 | 0 | 107.9 | K337 L341 | K337-K339 PolarHBondContact O-N 3.47Å; K339-L341 PolarHBondContact O-N 3.08Å |
| 340 | M | 62.6 | Low | 68.3 | Low | 123 Ų | 123 | 80.5 Ų | 80.5 | 61% | 0.606 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -46.5 | 118.5 | 174.6 | -77.6 | -174.4 | 173.7 | 0 | 0 | 109.7 | L338 | L338-M340 PolarHBondContact O-N 2.95Š|
| 341 | L | 69.8 | Low | 67.5 | Low | 56 Ų | 56 | 82.9 Ų | 82.9 | 29% | 0.293 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 145.2 | 179.6 | -66.4 | 177.5 | 0 | 0 | 0 | 109.6 | K339 D345 A346 H349 W384 | K339-L341 PolarHBondContact O-N 3.08Å; L341-D345 HydrophobicContact CB-CB 4.08Å; L341-D345 HydrophobicContact CD2-CB 3.97Å; L341-D345 HydrophobicContact CG-CB 4.47Å; L341-A346 HydrophobicContact CB-CB 4.09Å; L341-A346 HydrophobicContact CD1-CB 4.39Å; L341-H349 HydrophobicContact CD1-CB 4.49Å; L341-W384 PolarHBondContact O-NE1 2.84Å |
| 342 | S | 74.9 | Confident | 66.3 | Low | 14 Ų | 14 | 81.7 Ų | 81.7 | 10% | 0.098 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 161.4 | 162.9 | 74.3 | 0 | 0 | 0 | 0 | 109.5 | A344 D345 A346 | S342-A344 PolarHBondContact O-N 3.16Å; S342-D345 WeakPolarHBondContact CB-OD2 3.13Å; S342-D345 PolarHBondContact O-N 3.48Å; S342-D345 PolarHBondContact OG-N 2.65Å; S342-D345 VanDerWaalsContact OG-N 3.15Å; S342-D345 PolarHBondContact OG-OD2 3.17Å; S342-A346 WeakPolarHBondContact O-CB 3.15Å; S342-A346 PolarHBondContact O-N 3.49Å |
| 343 | W | 77.3 | Confident | 65.4 | Low | 24 Ų | 24 | 82.9 Ų | 82.9 | 9% | 0.091 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.1 | -38.3 | 176.8 | -178.9 | 92.1 | 0 | 0 | 0 | 111.8 | R347 L357 W384 T385 T402 C422 C440 | W343-R347 WeakPolarHBondContact O-CB 3.5Å; W343-R347 PolarHBondContact O-N 3.43Å; W343-L357 HydrophobicContact CD2-CD1 4.13Å; W343-L357 HydrophobicContact CG-CD1 4.32Å; W343-L357 HydrophobicContact CZ2-CD1 3.97Å; W343-W384 HydrophobicContact CB-CD2 3.98Å; W343-W384 HydrophobicContact CB-CE3 4.1Å; W343-W384 HydrophobicContact CB-CG 4.49Å; W343-W384 HydrophobicContact CB-CH2 4.26Å; W343-W384 HydrophobicContact CB-CZ2 4.19Å; W343-W384 HydrophobicContact CB-CZ3 4.24Å; W343-W384 AromaticContact CD1-CD2 3.86Å; W343-W384 AromaticContact CD1-CE3 3.56Å; W343-W384 HydrophobicContact CG-CD2 4.35Å; W343-W384 HydrophobicContact CG-CE3 4.24Å; W343-T385 PolarHBondContact NE1-O 3.49Å; W343-T402 HydrophobicContact CH2-CG2 3.88Å; W343-T402 HydrophobicContact CZ2-CG2 3.61Å; W343-C422 PolarHBondContact N-O 2.98Å; W343-C440 HydrophobicContact CB-CB 3.87Å; W343-C440 HydrophobicContact CD2-CB 4.28Å; W343-C440 HydrophobicContact CG-CB 3.64Å |
| 344 | A | 71.7 | Confident | 64.3 | Low | 57 Ų | 57 | 80.3 Ų | 80.3 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S342 R347 Q348 | S342-A344 PolarHBondContact O-N 3.16Å; A344-R347 PolarHBondContact O-N 2.94Å; A344-Q348 PolarHBondContact O-N 3.49Å |
| 345 | D | 72 | Confident | 64.4 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 179 | -58.1 | -41.3 | 0 | 0 | 0 | 111.5 | L341 S342 R347 Q348 H349 | L341-D345 HydrophobicContact CB-CB 4.08Å; L341-D345 HydrophobicContact CD2-CB 3.97Å; L341-D345 HydrophobicContact CG-CB 4.47Å; S342-D345 WeakPolarHBondContact CB-OD2 3.13Å; S342-D345 PolarHBondContact O-N 3.48Å; S342-D345 PolarHBondContact OG-N 2.65Å; S342-D345 VanDerWaalsContact OG-N 3.15Å; S342-D345 PolarHBondContact OG-OD2 3.17Å; D345-R347 VanDerWaalsContact C-N 3.33Å; D345-R347 PolarHBondContact O-N 2.87Å; D345-Q348 PolarHBondContact O-N 3.02Å; D345-H349 WeakPolarHBondContact O-CB 3.3Å; D345-H349 PolarHBondContact O-N 3.05Å |
| 346 | A | 75.5 | Confident | 65.1 | Low | 12 Ų | 12 | 76 Ų | 76 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L341 S342 H349 C350 L357 W384 | L341-A346 HydrophobicContact CB-CB 4.09Å; L341-A346 HydrophobicContact CD1-CB 4.39Å; S342-A346 WeakPolarHBondContact O-CB 3.15Å; S342-A346 PolarHBondContact O-N 3.49Å; A346-H349 PolarHBondContact O-N 3.41Å; A346-C350 PolarHBondContact O-N 2.78Å; A346-C350 PolarHBondContact O-SG 3.39Å; A346-L357 HydrophobicContact CB-CD2 4.33Å; A346-W384 HydrophobicContact CB-CB 4.38Å; A346-W384 HydrophobicContact CB-CG 4.32Å |
| 347 | R | 79.9 | Confident | 66.3 | Low | 66 Ų | 66 | 66.2 Ų | 66.2 | 25% | 0.249 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 174.4 | -166.8 | 177.2 | -175.8 | -168.6 | -0.3 | 111.8 | W343 A344 D345 H349 C350 L351 D356 L357 T402 | W343-R347 WeakPolarHBondContact O-CB 3.5Å; W343-R347 PolarHBondContact O-N 3.43Å; A344-R347 PolarHBondContact O-N 2.94Å; D345-R347 VanDerWaalsContact C-N 3.33Å; D345-R347 PolarHBondContact O-N 2.87Å; R347-H349 PolarHBondContact O-N 3.5Å; R347-C350 WeakPolarHBondContact O-CB 3Å; R347-C350 PolarHBondContact O-N 2.89Å; R347-L351 HydrophobicContact CG-CD1 4.07Å; R347-L351 HydrophobicContact CG-CG 4.36Å; R347-L351 WeakPolarHBondContact O-CG 3Å; R347-L351 PolarHBondContact O-N 3.38Å; R347-D356 VanDerWaalsContact CG-OD1 3.27Å; R347-D356 WeakPolarHBondContact CG-OD1 3.42Å; R347-D356 IonicContact CZ-OD1 3.05Å; R347-D356 IonicContact CZ-OD2 2.88Å; R347-D356 IonicContact NE-OD1 2.62Å; R347-D356 PolarHBondContact NE-OD1 3.3Å; R347-D356 IonicContact NE-OD2 3.89Å; R347-D356 PolarHBondContact NE-OD2 3.1Å; R347-D356 IonicContact NH2-OD1 3.33Å; R347-D356 IonicContact NH2-OD2 3.66Å; R347-D356 PolarHBondContact NH2-OD2 3.27Å; R347-L357 HydrophobicContact CB-CD1 3.69Å; R347-L357 HydrophobicContact CB-CG 4.06Å; R347-L357 HydrophobicContact CG-CD1 4.1Å; R347-L357 HydrophobicContact CG-CG 4.22Å; R347-T402 VanDerWaalsContact CZ-CG2 3.42Å; R347-T402 PolarHBondContact NH2-O 2.65Å |
| 348 | Q | 66.7 | Low | 67.5 | Low | 123 Ų | 123 | 60.8 Ų | 60.8 | 58% | 0.575 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.4 | -36.7 | 178.9 | -169.6 | 62.5 | 15.5 | 0 | 0 | 111.8 | A344 D345 L351 S352 | A344-Q348 PolarHBondContact O-N 3.49Å; D345-Q348 PolarHBondContact O-N 3.02Å; Q348-L351 PolarHBondContact O-N 3.25Å; Q348-S352 WeakPolarHBondContact O-CB 3.41Å; Q348-S352 PolarHBondContact O-N 3.04Å; Q348-S352 PolarHBondContact O-OG 3.34Å |
| 349 | H | 69.8 | Low | 68.7 | Low | 66 Ų | 66 | 57.4 Ų | 57.4 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 173.8 | -171.7 | 78.9 | 0 | 0 | 0 | 113 | F333 L341 D345 A346 R347 S352 S353 | F333-H349 AromaticContact CD1-NE2 3.68Å; F333-H349 AromaticContact CE1-NE2 3.57Å; L341-H349 HydrophobicContact CD1-CB 4.49Å; D345-H349 WeakPolarHBondContact O-CB 3.3Å; D345-H349 PolarHBondContact O-N 3.05Å; A346-H349 PolarHBondContact O-N 3.41Å; R347-H349 PolarHBondContact O-N 3.5Å; H349-S352 PolarHBondContact O-OG 2.85Å; H349-S353 WeakPolarHBondContact O-CB 3.45Å; H349-S353 PolarHBondContact O-N 3.44Å; H349-S353 VanDerWaalsContact O-N 3.11Å; H349-S353 PolarHBondContact O-OG 3.37Å |
| 350 | C | 71.7 | Confident | 69.2 | Low | 18 Ų | 18 | 51.6 Ų | 51.6 | 12% | 0.122 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 173.9 | -65.1 | 0 | 0 | 0 | 0 | 110.9 | A346 R347 S353 G354 G355 | A346-C350 PolarHBondContact O-N 2.78Å; A346-C350 PolarHBondContact O-SG 3.39Å; R347-C350 WeakPolarHBondContact O-CB 3Å; R347-C350 PolarHBondContact O-N 2.89Å; C350-S353 CarbonylContact O-C 3.51Å; C350-S353 WeakPolarHBondContact O-CA 3.28Å; C350-S353 WeakPolarHBondContact O-CB 3.48Å; C350-S353 PolarHBondContact O-N 3.06Å; C350-S353 VanDerWaalsContact O-N 3.12Å; C350-G354 PolarHBondContact O-N 3.34Å; C350-G355 CarbonylContact C-O 3.53Å; C350-G355 CarbonylContact O-C 3.45Å; C350-G355 PolarHBondContact O-N 3.46Å; C350-G355 VanDerWaalsContact O-O 3.04Å |
| 351 | L | 60.5 | Low | 69.4 | Low | 74 Ų | 74 | 46.4 Ų | 46.4 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 177.8 | -70.7 | 170.3 | 0 | 0 | 0 | 112.1 | R347 Q348 S353 G354 G355 | R347-L351 HydrophobicContact CG-CD1 4.07Å; R347-L351 HydrophobicContact CG-CG 4.36Å; R347-L351 WeakPolarHBondContact O-CG 3Å; R347-L351 PolarHBondContact O-N 3.38Å; Q348-L351 PolarHBondContact O-N 3.25Å; L351-S353 PolarHBondContact O-N 3.03Å; L351-G354 PolarHBondContact O-N 2.88Å; L351-G354 VanDerWaalsContact O-N 3.1Å; L351-G355 WeakPolarHBondContact CA-O 3.31Å; L351-G355 PolarHBondContact N-O 2.96Å |
| 352 | S | 52.3 | Low | 69.3 | Low | 90 Ų | 90 | 50.6 Ų | 50.6 | 63% | 0.629 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -69.3 | -23.4 | 176 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | Q348 H349 G354 | Q348-S352 WeakPolarHBondContact O-CB 3.41Å; Q348-S352 PolarHBondContact O-N 3.04Å; Q348-S352 PolarHBondContact O-OG 3.34Å; H349-S352 PolarHBondContact O-OG 2.85Å; S352-G354 VanDerWaalsContact C-N 3.28Å |
| 353 | S | 59.2 | Low | 68.8 | Low | 68 Ų | 68 | 54.9 Ų | 54.9 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.5 | 172.7 | -60 | 0 | 0 | 0 | 0 | 113.5 | H349 C350 L351 | H349-S353 WeakPolarHBondContact O-CB 3.45Å; H349-S353 PolarHBondContact O-N 3.44Å; H349-S353 VanDerWaalsContact O-N 3.11Å; H349-S353 PolarHBondContact O-OG 3.37Å; C350-S353 CarbonylContact O-C 3.51Å; C350-S353 WeakPolarHBondContact O-CA 3.28Å; C350-S353 WeakPolarHBondContact O-CB 3.48Å; C350-S353 PolarHBondContact O-N 3.06Å; C350-S353 VanDerWaalsContact O-N 3.12Å; L351-S353 PolarHBondContact O-N 3.03Å |
| 354 | G | 50.9 | Low | 68.4 | Low | 34 Ų | 34 | 57.8 Ų | 57.8 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 18.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C350 L351 S352 | C350-G354 PolarHBondContact O-N 3.34Å; L351-G354 PolarHBondContact O-N 2.88Å; L351-G354 VanDerWaalsContact O-N 3.1Å; S352-G354 VanDerWaalsContact C-N 3.28Å |
| 355 | G | 68.3 | Low | 68.4 | Low | 29 Ų | 29 | 55.1 Ų | 55.1 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | trans | -126.7 | -166.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C350 L351 | C350-G355 CarbonylContact C-O 3.53Å; C350-G355 CarbonylContact O-C 3.45Å; C350-G355 PolarHBondContact O-N 3.46Å; C350-G355 VanDerWaalsContact O-O 3.04Å; L351-G355 WeakPolarHBondContact CA-O 3.31Å; L351-G355 PolarHBondContact N-O 2.96Å | ||
| 356 | D | 73.5 | Confident | 68.3 | Low | 29 Ų | 29 | 54.3 Ų | 54.3 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | trans | -135.8 | 171.1 | 168.2 | -160 | -6.4 | 0 | 0 | 0 | 108.1 | R347 V358 T402 | R347-D356 VanDerWaalsContact CG-OD1 3.27Å; R347-D356 WeakPolarHBondContact CG-OD1 3.42Å; R347-D356 IonicContact CZ-OD1 3.05Å; R347-D356 IonicContact CZ-OD2 2.88Å; R347-D356 IonicContact NE-OD1 2.62Å; R347-D356 PolarHBondContact NE-OD1 3.3Å; R347-D356 IonicContact NE-OD2 3.89Å; R347-D356 PolarHBondContact NE-OD2 3.1Å; R347-D356 IonicContact NH2-OD1 3.33Å; R347-D356 IonicContact NH2-OD2 3.66Å; R347-D356 PolarHBondContact NH2-OD2 3.27Å; D356-V358 PolarHBondContact O-N 2.94Å; D356-T402 WeakPolarHBondContact OD2-CB 3.2Å | ||
| 357 | L | 79.3 | Confident | 68.3 | Low | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -58.1 | 138 | 170.6 | -71.5 | 173 | 0 | 0 | 0 | 110.2 | W343 A346 R347 W384 | W343-L357 HydrophobicContact CD2-CD1 4.13Å; W343-L357 HydrophobicContact CG-CD1 4.32Å; W343-L357 HydrophobicContact CZ2-CD1 3.97Å; A346-L357 HydrophobicContact CB-CD2 4.33Å; R347-L357 HydrophobicContact CB-CD1 3.69Å; R347-L357 HydrophobicContact CB-CG 4.06Å; R347-L357 HydrophobicContact CG-CD1 4.1Å; R347-L357 HydrophobicContact CG-CG 4.22Å; L357-W384 HydrophobicContact CD1-CB 4.49Å; L357-W384 HydrophobicContact CD2-CB 4.12Å |
| 358 | V | 77.2 | Confident | 68.1 | Low | 45 Ų | 45 | 55.9 Ų | 55.9 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | trans | -64.4 | 139.7 | -168.6 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | L330 D356 F361 G386 W401 | L330-V358 HydrophobicContact CD1-CG2 4.32Å; L330-V358 HydrophobicContact CD2-CB 4.21Å; L330-V358 HydrophobicContact CD2-CG2 3.45Å; L330-V358 VanDerWaalsContact CD2-CG2 3.45Å; D356-V358 PolarHBondContact O-N 2.94Å; V358-F361 HydrophobicContact CB-CE1 4.17Å; V358-F361 HydrophobicContact CB-CZ 4.38Å; V358-F361 HydrophobicContact CG1-CE1 3.74Å; V358-F361 HydrophobicContact CG1-CZ 3.53Å; V358-F361 HydrophobicContact CG2-CD1 4.23Å; V358-F361 HydrophobicContact CG2-CE1 3.42Å; V358-F361 VanDerWaalsContact CG2-CE1 3.42Å; V358-F361 HydrophobicContact CG2-CZ 4.1Å; V358-G386 PolarHBondContact O-N 3.45Å; V358-W401 VanDerWaalsContact O-CZ3 3.23Å; V358-W401 WeakPolarHBondContact O-CZ3 3.16Å | ||
| 359 | G | 73.2 | Confident | 68.5 | Low | 15 Ų | 15 | 50.6 Ų | 50.6 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | trans | 157.3 | 167.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | W401 | G359-W401 VanDerWaalsContact CA-CE3 3.5Å; G359-W401 VanDerWaalsContact CA-CZ3 3.4Å | ||
| 360 | P | 66.7 | Low | 68.8 | Low | 56 Ų | 56 | 47.7 Ų | 47.7 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | cis | -74.9 | 157.7 | -10.2 | 34.9 | -38.8 | 0 | 0 | 0 | 112.1 | W401 M405 | P360-W401 HydrophobicContact CB-CD2 4.12Å; P360-W401 HydrophobicContact CB-CG 4.28Å; P360-W401 HydrophobicContact CB-CZ2 4.11Å; P360-M405 HydrophobicContact CG-CE 3.38Å |
| 361 | F | 67 | Low | 69.1 | Low | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -92 | 142.8 | -179.6 | -62.2 | -52.8 | 0 | 0 | 0 | 112.8 | V358 I365 T385 W401 M412 I443 | V358-F361 HydrophobicContact CB-CE1 4.17Å; V358-F361 HydrophobicContact CB-CZ 4.38Å; V358-F361 HydrophobicContact CG1-CE1 3.74Å; V358-F361 HydrophobicContact CG1-CZ 3.53Å; V358-F361 HydrophobicContact CG2-CD1 4.23Å; V358-F361 HydrophobicContact CG2-CE1 3.42Å; V358-F361 VanDerWaalsContact CG2-CE1 3.42Å; V358-F361 HydrophobicContact CG2-CZ 4.1Å; F361-I365 HydrophobicContact CB-CG2 3.89Å; F361-I365 HydrophobicContact CD1-CB 4.47Å; F361-I365 HydrophobicContact CD1-CD1 3.2Å; F361-I365 HydrophobicContact CD1-CG1 4.32Å; F361-I365 HydrophobicContact CD1-CG2 3.95Å; F361-I365 HydrophobicContact CE1-CD1 3.45Å; F361-I365 VanDerWaalsContact CE1-CD1 3.45Å; F361-I365 HydrophobicContact CG-CD1 4.31Å; F361-I365 HydrophobicContact CG-CG2 4.06Å; F361-T385 HydrophobicContact CE2-CG2 3.84Å; F361-T385 HydrophobicContact CZ-CG2 4.01Å; F361-W401 AromaticContact CD2-CH2 3.45Å; F361-W401 HydrophobicContact CD2-CH2 3.45Å; F361-W401 VanDerWaalsContact CD2-CH2 3.45Å; F361-W401 HydrophobicContact CD2-CZ2 4.13Å; F361-W401 HydrophobicContact CD2-CZ3 4.39Å; F361-W401 AromaticContact CE2-CH2 3.63Å; F361-W401 HydrophobicContact CE2-CH2 3.63Å; F361-W401 HydrophobicContact CE2-CZ3 4.21Å; F361-W401 HydrophobicContact CG-CH2 4.23Å; F361-M412 HydrophobicContact CB-CE 4.26Å; F361-M412 HydrophobicContact CD2-CE 3.48Å; F361-M412 VanDerWaalsContact CD2-CE 3.48Å; F361-M412 HydrophobicContact CE2-CE 4.27Å; F361-M412 HydrophobicContact CG-CE 4.31Å; F361-I443 HydrophobicContact CD2-CD1 4.39Å; F361-I443 HydrophobicContact CE2-CD1 3.48Å; F361-I443 VanDerWaalsContact CE2-CD1 3.48Å; F361-I443 HydrophobicContact CZ-CD1 3.61Å |
| 362 | R | 68.7 | Low | 69.9 | Low | 145 Ų | 145 | 48 Ų | 48 | 55% | 0.547 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 165.6 | 164.2 | -73.2 | 179.3 | 94.9 | 176.1 | 2.2 | 110.8 | D326 D364 I365 | D326-R362 IonicContact OD1-NH1 3.42Å; D326-R362 WeakPolarHBondContact OD2-CD 3.49Å; D326-R362 IonicContact OD2-CZ 3.61Å; D326-R362 IonicContact OD2-NE 2.82Å; D326-R362 IonicContact OD2-NH1 3.27Å; D326-R362 PolarHBondContact OD2-NH1 3.48Å; R362-D364 WeakPolarHBondContact CB-OD1 3.41Å; R362-D364 PolarHBondContact O-N 2.96Å; R362-D364 VanDerWaalsContact O-N 3.11Å; R362-I365 WeakPolarHBondContact O-CG2 3.29Å; R362-I365 PolarHBondContact O-N 3.29Å; R362-I365 VanDerWaalsContact O-N 3.15Å |
| 363 | K | 63.2 | Low | 70.9 | Confident | 103 Ų | 103 | 43.8 Ų | 43.8 | 45% | 0.448 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -32.3 | -179.8 | -85.3 | -171.2 | 154.7 | 177.2 | 0 | 114.9 | K411 F413 | K363-K411 WeakPolarHBondContact CG-O 3.49Å; K363-F413 HydrophobicContact CB-CD2 3.21Å; K363-F413 HydrophobicContact CB-CE2 3.34Å; K363-F413 HydrophobicContact CB-CG 4.26Å; K363-F413 HydrophobicContact CB-CZ 4.46Å; K363-F413 HydrophobicContact CD-CD1 4.4Å; K363-F413 HydrophobicContact CD-CD2 3.57Å; K363-F413 HydrophobicContact CD-CE1 4.1Å; K363-F413 HydrophobicContact CD-CE2 3.2Å; K363-F413 HydrophobicContact CD-CG 4.15Å; K363-F413 HydrophobicContact CD-CZ 3.48Å; K363-F413 VanDerWaalsContact CD-CZ 3.48Å; K363-F413 VanDerWaalsContact CE-CZ 3.42Å; K363-F413 HydrophobicContact CG-CB 4.46Å; K363-F413 HydrophobicContact CG-CD1 4.49Å; K363-F413 HydrophobicContact CG-CD2 3.14Å; K363-F413 HydrophobicContact CG-CE2 3.33Å; K363-F413 HydrophobicContact CG-CG 3.78Å; K363-F413 HydrophobicContact CG-CZ 4.09Å; K363-F413 WeakPolarHBondContact O-CD2 3.23Å |
| 364 | D | 68.8 | Low | 71.7 | Confident | 85 Ų | 85 | 44 Ų | 44 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -5.6 | -175.1 | 61.3 | -38.8 | 0 | 0 | 0 | 114.6 | H325 R362 E366 T367 | H325-D364 IonicContact CE1-OD1 3.5Å; H325-D364 PolarHBondContact CE1-OD1 2.93Å; H325-D364 IonicContact CE1-OD2 3.45Å; H325-D364 PolarHBondContact CE1-OD2 3.42Å; H325-D364 IonicContact NE2-OD1 3.93Å; R362-D364 WeakPolarHBondContact CB-OD1 3.41Å; R362-D364 PolarHBondContact O-N 2.96Å; R362-D364 VanDerWaalsContact O-N 3.11Å; D364-E366 PolarHBondContact O-N 3.38Å; D364-T367 PolarHBondContact O-N 2.93Å |
| 365 | I | 72.7 | Confident | 72.8 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -27.9 | -175.3 | -156.1 | 170.8 | 0 | 0 | 0 | 113.5 | H325 L330 F361 R362 T367 T368 L369 I415 | H325-I365 WeakPolarHBondContact NE2-CB 3.36Å; L330-I365 HydrophobicContact CD1-CD1 4.1Å; F361-I365 HydrophobicContact CB-CG2 3.89Å; F361-I365 HydrophobicContact CD1-CB 4.47Å; F361-I365 HydrophobicContact CD1-CD1 3.2Å; F361-I365 HydrophobicContact CD1-CG1 4.32Å; F361-I365 HydrophobicContact CD1-CG2 3.95Å; F361-I365 HydrophobicContact CE1-CD1 3.45Å; F361-I365 VanDerWaalsContact CE1-CD1 3.45Å; F361-I365 HydrophobicContact CG-CD1 4.31Å; F361-I365 HydrophobicContact CG-CG2 4.06Å; R362-I365 WeakPolarHBondContact O-CG2 3.29Å; R362-I365 PolarHBondContact O-N 3.29Å; R362-I365 VanDerWaalsContact O-N 3.15Å; I365-T367 PolarHBondContact O-N 3.02Å; I365-T368 CarbonylContact O-C 3.51Å; I365-T368 WeakPolarHBondContact O-CA 3.23Å; I365-T368 WeakPolarHBondContact O-CB 3.39Å; I365-T368 PolarHBondContact O-N 3.48Å; I365-L369 HydrophobicContact CD1-CD1 4.02Å; I365-L369 HydrophobicContact CG1-CD1 3.87Å; I365-L369 HydrophobicContact CG1-CG 4.24Å; I365-L369 HydrophobicContact CG2-CD1 4.1Å; I365-L369 WeakPolarHBondContact O-CB 3.26Å; I365-L369 PolarHBondContact O-N 2.99Å; I365-I415 HydrophobicContact CG2-CD1 4.12Å |
| 366 | E | 70.1 | Confident | 72.9 | Confident | 57 Ų | 57 | 51.1 Ų | 51.1 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.4 | -41.4 | 178.2 | 179.9 | 170.1 | -161.9 | 0 | 0 | 111.2 | D364 T368 S370 L456 | D364-E366 PolarHBondContact O-N 3.38Å; E366-T368 PolarHBondContact O-N 2.87Å; E366-S370 WeakPolarHBondContact O-CB 3.33Å; E366-S370 PolarHBondContact O-N 3.46Å; E366-L456 HydrophobicContact CB-CD1 4.18Å; E366-L456 HydrophobicContact CG-CD1 3.82Å; E366-L456 HydrophobicContact CG-CG 4.32Å |
| 367 | T | 74.5 | Confident | 72.8 | Confident | 79 Ų | 79 | 57.7 Ų | 57.7 | 49% | 0.485 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 177.2 | -47.2 | 0 | 0 | 0 | 0 | 111.4 | D364 I365 N371 | D364-T367 PolarHBondContact O-N 2.93Å; I365-T367 PolarHBondContact O-N 3.02Å; T367-N371 WeakPolarHBondContact O-CB 3.46Å; T367-N371 VanDerWaalsContact O-CG 3.23Å; T367-N371 PolarHBondContact O-N 3.49Å; T367-N371 PolarHBondContact O-ND2 3.44Å |
| 368 | T | 75.8 | Confident | 72.2 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.9 | -46.5 | -178.8 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | F323 H325 I365 E366 N371 A372 | F323-T368 HydrophobicContact CD2-CG2 3.45Å; F323-T368 VanDerWaalsContact CD2-CG2 3.45Å; F323-T368 HydrophobicContact CE2-CG2 3.77Å; H325-T368 HydrophobicContact CB-CG2 4.26Å; H325-T368 PolarHBondContact ND1-OG1 3.39Å; I365-T368 CarbonylContact O-C 3.51Å; I365-T368 WeakPolarHBondContact O-CA 3.23Å; I365-T368 WeakPolarHBondContact O-CB 3.39Å; I365-T368 PolarHBondContact O-N 3.48Å; E366-T368 PolarHBondContact O-N 2.87Å; T368-N371 PolarHBondContact O-N 2.9Å; T368-A372 WeakPolarHBondContact O-CB 3.47Å; T368-A372 PolarHBondContact O-N 3.25Å |
| 369 | L | 76.1 | Confident | 71.7 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 174.9 | -90.7 | 156.8 | 0 | 0 | 0 | 111.5 | L332 I365 N371 A372 M373 M383 | L332-L369 HydrophobicContact CD1-CD2 4.14Å; I365-L369 HydrophobicContact CD1-CD1 4.02Å; I365-L369 HydrophobicContact CG1-CD1 3.87Å; I365-L369 HydrophobicContact CG1-CG 4.24Å; I365-L369 HydrophobicContact CG2-CD1 4.1Å; I365-L369 WeakPolarHBondContact O-CB 3.26Å; I365-L369 PolarHBondContact O-N 2.99Å; L369-N371 VanDerWaalsContact C-N 3.33Å; L369-N371 PolarHBondContact O-N 3.27Å; L369-A372 PolarHBondContact O-N 3Å; L369-M373 VanDerWaalsContact O-CB 3.29Å; L369-M373 WeakPolarHBondContact O-CB 3.06Å; L369-M373 WeakPolarHBondContact O-CG 3.5Å; L369-M373 PolarHBondContact O-N 2.93Å; L369-M383 HydrophobicContact CD2-CE 4.27Å |
| 370 | S | 76.1 | Confident | 71.4 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 176.4 | -165.6 | 0 | 0 | 0 | 0 | 110.7 | E366 M373 I374 H453 C454 | E366-S370 WeakPolarHBondContact O-CB 3.33Å; E366-S370 PolarHBondContact O-N 3.46Å; S370-M373 PolarHBondContact O-N 3.49Å; S370-I374 WeakPolarHBondContact O-CB 3.36Å; S370-I374 WeakPolarHBondContact O-CD1 3.22Å; S370-I374 WeakPolarHBondContact O-CG1 3.38Å; S370-I374 PolarHBondContact O-N 3.42Å; S370-H453 PolarHBondContact OG-ND1 2.83Å; S370-C454 PolarHBondContact OG-N 3.42Å; S370-C454 PolarHBondContact OG-O 2.94Å |
| 371 | N | 77.7 | Confident | 71.5 | Confident | 89 Ų | 89 | 61.7 Ų | 61.7 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.7 | -72.2 | -20.7 | 0 | 0 | 0 | 112.7 | T367 T368 L369 I374 Q375 | T367-N371 WeakPolarHBondContact O-CB 3.46Å; T367-N371 VanDerWaalsContact O-CG 3.23Å; T367-N371 PolarHBondContact O-N 3.49Å; T367-N371 PolarHBondContact O-ND2 3.44Å; T368-N371 PolarHBondContact O-N 2.9Å; L369-N371 VanDerWaalsContact C-N 3.33Å; L369-N371 PolarHBondContact O-N 3.27Å; N371-I374 PolarHBondContact O-N 3.47Å; N371-Q375 WeakPolarHBondContact O-CG 3.4Å; N371-Q375 PolarHBondContact O-N 3.39Å |
| 372 | A | 76.1 | Confident | 71.8 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F323 T368 L369 Q375 A376 | F323-A372 HydrophobicContact CD1-CB 3.78Å; F323-A372 HydrophobicContact CE1-CB 3.47Å; F323-A372 VanDerWaalsContact CE1-CB 3.47Å; F323-A372 HydrophobicContact CE2-CB 4.25Å; F323-A372 HydrophobicContact CG-CB 4.31Å; F323-A372 HydrophobicContact CZ-CB 3.72Å; T368-A372 WeakPolarHBondContact O-CB 3.47Å; T368-A372 PolarHBondContact O-N 3.25Å; L369-A372 PolarHBondContact O-N 3Å; A372-Q375 PolarHBondContact O-N 2.89Å; A372-A376 WeakPolarHBondContact O-CB 3.44Å; A372-A376 PolarHBondContact O-N 3.35Å |
| 373 | M | 74.6 | Confident | 72.1 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 176.6 | -75.3 | -69.9 | -68 | 0 | 0 | 112.2 | L332 L334 L369 S370 A376 K377 A378 A381 M383 A445 | L332-M373 HydrophobicContact CD2-CG 4.31Å; L332-M373 HydrophobicContact CD2-SD 3.5Å; L332-M373 VanDerWaalsContact CD2-SD 3.5Å; L334-M373 HydrophobicContact CD1-SD 4.38Å; L369-M373 VanDerWaalsContact O-CB 3.29Å; L369-M373 WeakPolarHBondContact O-CB 3.06Å; L369-M373 WeakPolarHBondContact O-CG 3.5Å; L369-M373 PolarHBondContact O-N 2.93Å; S370-M373 PolarHBondContact O-N 3.49Å; M373-A376 CarbonylContact O-C 3.54Å; M373-A376 PolarHBondContact O-N 2.88Å; M373-K377 PolarHBondContact O-N 3.09Å; M373-K377 VanDerWaalsContact O-N 3.07Å; M373-A378 HydrophobicContact CE-CB 3.38Å; M373-A378 PolarHBondContact O-N 3.43Å; M373-A378 HydrophobicContact SD-CB 4.03Å; M373-A381 HydrophobicContact CE-CB 3.61Å; M373-A381 HydrophobicContact SD-CB 4.46Å; M373-M383 HydrophobicContact SD-CE 4.1Å; M373-M383 HydrophobicContact SD-SD 3.88Å; M373-A445 HydrophobicContact CE-CB 3.86Å |
| 374 | I | 74.5 | Confident | 73 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 38% | 0.379 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 174.7 | -68.3 | 163.8 | 0 | 0 | 0 | 110.2 | S370 N371 A376 K377 R452 | S370-I374 WeakPolarHBondContact O-CB 3.36Å; S370-I374 WeakPolarHBondContact O-CD1 3.22Å; S370-I374 WeakPolarHBondContact O-CG1 3.38Å; S370-I374 PolarHBondContact O-N 3.42Å; N371-I374 PolarHBondContact O-N 3.47Å; I374-A376 VanDerWaalsContact C-N 3.28Å; I374-A376 PolarHBondContact O-N 2.57Å; I374-K377 PolarHBondContact O-N 2.98Å; I374-R452 VanDerWaalsContact CD1-O 3.24Å; I374-R452 WeakPolarHBondContact CD1-O 3.3Å |
| 375 | Q | 73.8 | Confident | 73.6 | Confident | 163 Ų | 163 | 52.9 Ų | 52.9 | 76% | 0.762 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.9 | -37.7 | 176.2 | -79.5 | -173.9 | -10 | 0 | 0 | 112.2 | N371 A372 K377 | N371-Q375 WeakPolarHBondContact O-CG 3.4Å; N371-Q375 PolarHBondContact O-N 3.39Å; A372-Q375 PolarHBondContact O-N 2.89Å; Q375-K377 VanDerWaalsContact C-N 3.29Å; Q375-K377 PolarHBondContact O-N 3.46Å |
| 376 | A | 70.4 | Confident | 73.9 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -1.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L332 L334 A372 M373 I374 A378 | L332-A376 HydrophobicContact CD2-CB 4.27Å; L334-A376 HydrophobicContact CD1-CB 3.42Å; L334-A376 VanDerWaalsContact CD1-CB 3.42Å; A372-A376 WeakPolarHBondContact O-CB 3.44Å; A372-A376 PolarHBondContact O-N 3.35Å; M373-A376 CarbonylContact O-C 3.54Å; M373-A376 PolarHBondContact O-N 2.88Å; I374-A376 VanDerWaalsContact C-N 3.28Å; I374-A376 PolarHBondContact O-N 2.57Å; A376-A378 VanDerWaalsContact C-N 3.27Å; A376-A378 PolarHBondContact O-N 3.47Å |
| 377 | K | 71.8 | Confident | 74.2 | Confident | 166 Ų | 166 | 50 Ų | 50 | 72% | 0.722 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 38.5 | -179.1 | -58.3 | -178.6 | 179.7 | 177.7 | 0 | 113.6 | M373 I374 Q375 | M373-K377 PolarHBondContact O-N 3.09Å; M373-K377 VanDerWaalsContact O-N 3.07Å; I374-K377 PolarHBondContact O-N 2.98Å; Q375-K377 VanDerWaalsContact C-N 3.29Å; Q375-K377 PolarHBondContact O-N 3.46Å |
| 378 | A | 66.8 | Low | 74.4 | Confident | 12 Ų | 12 | 50 Ų | 50 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | trans | -81.7 | 117.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L334 M373 A376 C447 | L334-A378 HydrophobicContact CD1-CB 3.52Å; L334-A378 HydrophobicContact CD2-CB 4.05Å; L334-A378 HydrophobicContact CG-CB 4.42Å; M373-A378 HydrophobicContact CE-CB 3.38Å; M373-A378 PolarHBondContact O-N 3.43Å; M373-A378 HydrophobicContact SD-CB 4.03Å; A376-A378 VanDerWaalsContact C-N 3.27Å; A376-A378 PolarHBondContact O-N 3.47Å; A378-C447 PolarHBondContact O-SG 3.39Å; A378-C447 VanDerWaalsContact O-SG 3.4Å | ||
| 379 | N | 66.9 | Low | 74 | Confident | 87 Ų | 87 | 49.3 Ų | 49.3 | 47% | 0.465 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -94.2 | 96.6 | 169.2 | -60.5 | -31.9 | 0 | 0 | 0 | 106.8 | ||
| 380 | D | 66.6 | Low | 73.4 | Confident | 97 Ų | 97 | 49.7 Ų | 49.7 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 68.1 | 121.5 | -179 | -43.6 | -34.7 | 0 | 0 | 0 | 113.5 | A445 S446 C447 | D380-A445 CarbonylContact C-O 3.45Å; D380-A445 VanDerWaalsContact CA-O 3.24Å; D380-A445 WeakPolarHBondContact CA-O 3.47Å; D380-S446 WeakPolarHBondContact OD1-CA 3.46Å; D380-S446 WeakPolarHBondContact OD1-CB 3.45Å; D380-S446 PolarHBondContact OD1-OG 2.9Å; D380-C447 PolarHBondContact OD1-N 3.09Å; D380-C447 VanDerWaalsContact OD1-N 3.16Å |
| 381 | A | 69.3 | Low | 72.4 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 142.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L334 M373 M383 A445 | L334-A381 HydrophobicContact CD2-CB 3.89Å; M373-A381 HydrophobicContact CE-CB 3.61Å; M373-A381 HydrophobicContact SD-CB 4.46Å; A381-M383 HydrophobicContact CB-CG 4.35Å; A381-A445 PolarHBondContact N-O 2.88Å; A381-A445 PolarHBondContact O-N 3.21Å |
| 382 | L | 72.7 | Confident | 71.2 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.5 | 167.2 | -171.6 | 72.1 | 0 | 0 | 0 | 108.4 | A442 I443 E444 | L382-A442 HydrophobicContact CD1-CB 3.68Å; L382-A442 HydrophobicContact CD2-CB 4.47Å; L382-A442 HydrophobicContact CG-CB 3.92Å; L382-I443 WeakPolarHBondContact CA-O 3.37Å; L382-E444 HydrophobicContact CD1-CB 4.17Å |
| 383 | M | 76.5 | Confident | 69.9 | Low | 30 Ų | 30 | 64.3 Ų | 64.3 | 15% | 0.148 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.7 | -173.9 | -62.3 | 175 | -70.8 | 0 | 0 | 110.5 | L332 L369 M373 A381 A442 I443 A445 | L332-M383 HydrophobicContact CD1-SD 3.75Å; L332-M383 HydrophobicContact CG-SD 4.33Å; L369-M383 HydrophobicContact CD2-CE 4.27Å; M373-M383 HydrophobicContact SD-CE 4.1Å; M373-M383 HydrophobicContact SD-SD 3.88Å; A381-M383 HydrophobicContact CB-CG 4.35Å; M383-A442 CarbonylContact O-C 3.58Å; M383-A442 VanDerWaalsContact O-CA 3.24Å; M383-A442 WeakPolarHBondContact O-CA 3.4Å; M383-I443 HydrophobicContact CE-CG2 4.14Å; M383-I443 PolarHBondContact N-O 2.96Å; M383-I443 PolarHBondContact O-N 3.02Å; M383-A445 HydrophobicContact CE-CB 3.91Å |
| 384 | W | 81.6 | Confident | 68.9 | Low | 43 Ų | 43 | 71.1 Ų | 71.1 | 16% | 0.163 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 143.2 | 173.2 | -70.6 | 120.9 | 0 | 0 | 0 | 111.7 | L341 W343 A346 L357 V420 C440 A442 | L341-W384 PolarHBondContact O-NE1 2.84Å; W343-W384 HydrophobicContact CB-CD2 3.98Å; W343-W384 HydrophobicContact CB-CE3 4.1Å; W343-W384 HydrophobicContact CB-CG 4.49Å; W343-W384 HydrophobicContact CB-CH2 4.26Å; W343-W384 HydrophobicContact CB-CZ2 4.19Å; W343-W384 HydrophobicContact CB-CZ3 4.24Å; W343-W384 AromaticContact CD1-CD2 3.86Å; W343-W384 AromaticContact CD1-CE3 3.56Å; W343-W384 HydrophobicContact CG-CD2 4.35Å; W343-W384 HydrophobicContact CG-CE3 4.24Å; A346-W384 HydrophobicContact CB-CB 4.38Å; A346-W384 HydrophobicContact CB-CG 4.32Å; L357-W384 HydrophobicContact CD1-CB 4.49Å; L357-W384 HydrophobicContact CD2-CB 4.12Å; W384-V420 HydrophobicContact CH2-CB 3.68Å; W384-V420 HydrophobicContact CH2-CG1 3.86Å; W384-V420 HydrophobicContact CH2-CG2 4.49Å; W384-V420 HydrophobicContact CZ3-CB 4Å; W384-C440 HydrophobicContact CE3-CB 4.26Å; W384-C440 HydrophobicContact CH2-CB 4.26Å; W384-C440 HydrophobicContact CZ3-CB 3.66Å; W384-A442 HydrophobicContact CD2-CB 4.43Å; W384-A442 HydrophobicContact CE3-CB 3.77Å; W384-A442 HydrophobicContact CZ3-CB 4.02Å |
| 385 | T | 81 | Confident | 67.5 | Low | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 169 | 175.2 | 72.4 | 0 | 0 | 0 | 0 | 110.8 | W343 F361 L387 V441 I443 | W343-T385 PolarHBondContact NE1-O 3.49Å; F361-T385 HydrophobicContact CE2-CG2 3.84Å; F361-T385 HydrophobicContact CZ-CG2 4.01Å; T385-L387 PolarHBondContact O-N 3.3Å; T385-L387 PolarHBondContact OG1-N 3.27Å; T385-V441 PolarHBondContact N-O 3.32Å; T385-V441 PolarHBondContact OG1-O 2.81Å; T385-I443 HydrophobicContact CG2-CB 4.43Å; T385-I443 HydrophobicContact CG2-CD1 3.55Å; T385-I443 HydrophobicContact CG2-CG1 3.6Å |
| 386 | G | 78.1 | Confident | 66.4 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V358 W401 T402 | V358-G386 PolarHBondContact O-N 3.45Å; G386-W401 VanDerWaalsContact C-CE3 3.49Å; G386-W401 CarbonylContact O-C 3.58Å; G386-W401 WeakPolarHBondContact O-CA 3.2Å; G386-T402 WeakPolarHBondContact O-CG2 3.37Å; G386-T402 PolarHBondContact O-N 2.99Å |
| 387 | L | 78 | Confident | 65.6 | Low | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 136.7 | -175.6 | -165.9 | 73.5 | 0 | 0 | 0 | 111.7 | T385 F399 W401 F407 L417 V441 | T385-L387 PolarHBondContact O-N 3.3Å; T385-L387 PolarHBondContact OG1-N 3.27Å; L387-F399 HydrophobicContact CD1-CB 3.99Å; L387-F399 HydrophobicContact CD2-CB 4.38Å; L387-F399 HydrophobicContact CD2-CD1 4.04Å; L387-F399 HydrophobicContact CD2-CG 4.44Å; L387-F399 HydrophobicContact CG-CB 4.24Å; L387-F399 HydrophobicContact CG-CD1 4.12Å; L387-W401 HydrophobicContact CB-CD2 4.21Å; L387-W401 HydrophobicContact CB-CE3 3.86Å; L387-W401 HydrophobicContact CB-CH2 3.89Å; L387-W401 HydrophobicContact CB-CZ2 4.25Å; L387-W401 HydrophobicContact CB-CZ3 3.69Å; L387-W401 HydrophobicContact CD1-CD2 3.7Å; L387-W401 HydrophobicContact CD1-CE3 4.23Å; L387-W401 HydrophobicContact CD1-CG 3.96Å; L387-W401 HydrophobicContact CD1-CH2 4.45Å; L387-W401 HydrophobicContact CD1-CZ2 3.97Å; L387-W401 HydrophobicContact CD2-CZ2 4.44Å; L387-W401 HydrophobicContact CG-CZ2 4.48Å; L387-F407 HydrophobicContact CD1-CB 4.14Å; L387-F407 HydrophobicContact CD1-CD2 3.73Å; L387-F407 HydrophobicContact CD1-CE2 4.49Å; L387-F407 HydrophobicContact CD1-CG 4.17Å; L387-F407 HydrophobicContact CD2-CD2 3.78Å; L387-F407 HydrophobicContact CD2-CE2 3.74Å; L387-F407 HydrophobicContact CD2-CG 4.45Å; L387-F407 HydrophobicContact CD2-CZ 4.34Å; L387-F407 HydrophobicContact CG-CD2 4.45Å; L387-L417 HydrophobicContact CD2-CD1 3.62Å; L387-V441 HydrophobicContact CB-CB 3.91Å; L387-V441 HydrophobicContact CB-CG1 4.34Å; L387-V441 HydrophobicContact CB-CG2 4.18Å; L387-V441 HydrophobicContact CD2-CB 4.33Å; L387-V441 HydrophobicContact CD2-CG1 4.23Å; L387-V441 HydrophobicContact CD2-CG2 4.04Å; L387-V441 HydrophobicContact CG-CB 4.36Å; L387-V441 HydrophobicContact CG-CG2 4.1Å; L387-V441 VanDerWaalsContact O-CB 3.3Å; L387-V441 WeakPolarHBondContact O-CB 3.27Å; L387-V441 PolarHBondContact O-N 3.38Å |
| 388 | R | 77 | Confident | 65.3 | Low | 79 Ų | 79 | 68.3 Ų | 68.3 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 160.2 | 178.8 | 67.7 | -176.9 | -177.9 | 97.5 | 1.6 | 111.9 | F399 I400 | R388-F399 WeakPolarHBondContact O-CA 3.22Å; R388-I400 HydrophobicContact CG-CG2 3.83Å; R388-I400 PolarHBondContact N-O 2.87Å; R388-I400 PolarHBondContact O-N 3.05Å |
| 389 | I | 69.1 | Low | 65.3 | Low | 17 Ų | 17 | 70.6 Ų | 70.6 | 9% | 0.087 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 128.8 | 172.4 | -57.9 | 177.2 | 0 | 0 | 0 | 109.3 | F399 A419 W433 G439 | I389-F399 HydrophobicContact CG1-CD1 4.2Å; I389-F399 HydrophobicContact CG1-CE1 3.78Å; I389-F399 HydrophobicContact CG1-CZ 4.34Å; I389-A419 HydrophobicContact CD1-CB 4.13Å; I389-W433 HydrophobicContact CD1-CH2 4.15Å; I389-W433 HydrophobicContact CD1-CZ2 3.71Å; I389-G439 PolarHBondContact N-O 3.2Å |
| 390 | N | 63.6 | Low | 65.5 | Low | 20 Ų | 20 | 67.7 Ų | 67.7 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 115.6 | 172.5 | -169 | 17.9 | 0 | 0 | 0 | 109.1 | R392 E398 I400 | N390-R392 PolarHBondContact O-N 3.02Å; N390-R392 VanDerWaalsContact O-N 3.15Å; N390-E398 HydrophobicContact CB-CB 4.15Å; N390-E398 HydrophobicContact CB-CG 4.42Å; N390-E398 VanDerWaalsContact CB-O 3.24Å; N390-E398 WeakPolarHBondContact CB-O 3.35Å; N390-E398 PolarHBondContact N-O 2.92Å; N390-E398 PolarHBondContact ND2-OE2 3.42Å; N390-I400 HydrophobicContact CB-CG2 4.28Å |
| 391 | N | 55.1 | Low | 65.9 | Low | 103 Ų | 103 | 63.3 Ų | 63.3 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | trans | -89.7 | 45.5 | -176.4 | -147.5 | 14.2 | 0 | 0 | 0 | 111.7 | ||||
| 392 | R | 50.9 | Low | 65.8 | Low | 174 Ų | 174 | 63 Ų | 63 | 66% | 0.657 | 31% | 0.307 | S | S | * | . | trans | -83.7 | 135.3 | 175.6 | -81.9 | -172.6 | 179.1 | -171.5 | -2.3 | 109.8 | N390 D394 K395 | N390-R392 PolarHBondContact O-N 3.02Å; N390-R392 VanDerWaalsContact O-N 3.15Å; R392-D394 PolarHBondContact O-N 3.37Å; R392-D394 VanDerWaalsContact O-N 3.1Å; R392-K395 PolarHBondContact O-N 2.99Å | ||
| 393 | T | 50.2 | Low | 65.5 | Low | 132 Ų | 132 | 59.1 Ų | 59.1 | 81% | 0.81 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.8 | -173.8 | 47 | 0 | 0 | 0 | 0 | 114.3 | ||
| 394 | D | 52 | Low | 64.7 | Low | 144 Ų | 144 | 61.5 Ų | 61.5 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -15.2 | -168.3 | -55.7 | -13 | 0 | 0 | 0 | 113.4 | R392 | R392-D394 PolarHBondContact O-N 3.37Å; R392-D394 VanDerWaalsContact O-N 3.1Å |
| 395 | K | 46.4 | Very low | 63.9 | Low | 135 Ų | 135 | 63.4 Ų | 63.4 | 59% | 0.587 | 31% | 0.312 | S | S | * | . | trans | -146.9 | 88.7 | 179.7 | -68.4 | -173.3 | -175.9 | 177 | 0 | 110.3 | R392 F397 | R392-K395 PolarHBondContact O-N 2.99Å; K395-F397 PolarHBondContact O-N 3.38Å | ||
| 396 | P | 49.8 | Very low | 63.1 | Low | 92 Ų | 92 | 70.5 Ų | 70.5 | 60% | 0.597 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 142 | 168 | 26.1 | -32.1 | 0 | 0 | 0 | 108.9 | ||
| 397 | F | 54.8 | Low | 62.3 | Low | 112 Ų | 112 | 72.6 Ų | 72.6 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 14.2 | 176.3 | -44.3 | -76.8 | 0 | 0 | 0 | 118.7 | K395 F399 W433 P435 | K395-F397 PolarHBondContact O-N 3.38Å; F397-F399 WeakPolarHBondContact O-CD2 3.34Å; F397-F399 PolarHBondContact O-N 3.29Å; F397-W433 HydrophobicContact CD1-CH2 4.38Å; F397-W433 AromaticContact CE1-CH2 3.77Å; F397-W433 HydrophobicContact CE1-CH2 3.77Å; F397-W433 AromaticContact CE1-CZ3 3.85Å; F397-W433 HydrophobicContact CE1-CZ3 3.85Å; F397-P435 HydrophobicContact CZ-CB 4.32Å |
| 398 | E | 63.8 | Low | 61.6 | Low | 55 Ų | 55 | 75.6 Ų | 75.6 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.2 | 170.6 | -176.8 | 178.6 | -126.6 | 0 | 0 | 110.9 | N390 | N390-E398 HydrophobicContact CB-CB 4.15Å; N390-E398 HydrophobicContact CB-CG 4.42Å; N390-E398 VanDerWaalsContact CB-O 3.24Å; N390-E398 WeakPolarHBondContact CB-O 3.35Å; N390-E398 PolarHBondContact N-O 2.92Å; N390-E398 PolarHBondContact ND2-OE2 3.42Å |
| 399 | F | 68.8 | Low | 60.6 | Low | 60 Ų | 60 | 77.7 Ų | 77.7 | 26% | 0.263 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 138.1 | 177.4 | -69.9 | -88.5 | 0 | 0 | 0 | 111.3 | L387 R388 I389 F397 F407 V441 | L387-F399 HydrophobicContact CD1-CB 3.99Å; L387-F399 HydrophobicContact CD2-CB 4.38Å; L387-F399 HydrophobicContact CD2-CD1 4.04Å; L387-F399 HydrophobicContact CD2-CG 4.44Å; L387-F399 HydrophobicContact CG-CB 4.24Å; L387-F399 HydrophobicContact CG-CD1 4.12Å; R388-F399 WeakPolarHBondContact O-CA 3.22Å; I389-F399 HydrophobicContact CG1-CD1 4.2Å; I389-F399 HydrophobicContact CG1-CE1 3.78Å; I389-F399 HydrophobicContact CG1-CZ 4.34Å; F397-F399 WeakPolarHBondContact O-CD2 3.34Å; F397-F399 PolarHBondContact O-N 3.29Å; F399-F407 HydrophobicContact CB-CB 3.53Å; F399-F407 HydrophobicContact CB-CD1 3.76Å; F399-F407 HydrophobicContact CB-CG 3.71Å; F399-F407 HydrophobicContact CD2-CD1 4.1Å; F399-F407 HydrophobicContact CD2-CE1 4.33Å; F399-F407 HydrophobicContact CG-CD1 4.19Å; F399-F407 VanDerWaalsContact O-CB 3.23Å; F399-F407 WeakPolarHBondContact O-CB 3.39Å; F399-F407 PolarHBondContact O-N 2.76Å; F399-V441 HydrophobicContact CD1-CG2 4.06Å; F399-V441 HydrophobicContact CE1-CG2 3.83Å |
| 400 | I | 70.6 | Confident | 59.7 | Low | 25 Ų | 25 | 81.9 Ų | 81.9 | 13% | 0.128 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141.5 | 179.3 | -160 | 170.3 | 0 | 0 | 0 | 111.2 | R388 N390 N404 | R388-I400 HydrophobicContact CG-CG2 3.83Å; R388-I400 PolarHBondContact N-O 2.87Å; R388-I400 PolarHBondContact O-N 3.05Å; N390-I400 HydrophobicContact CB-CG2 4.28Å; I400-N404 HydrophobicContact CD1-CB 4.3Å |
| 401 | W | 73.9 | Confident | 59.1 | Low | 5 Ų | 5 | 87 Ų | 87 | 2% | 0.019 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 159.4 | 174.4 | -70.1 | 98.6 | 0 | 0 | 0 | 111.8 | V358 G359 P360 F361 G386 L387 N403 N404 M405 | V358-W401 VanDerWaalsContact O-CZ3 3.23Å; V358-W401 WeakPolarHBondContact O-CZ3 3.16Å; G359-W401 VanDerWaalsContact CA-CE3 3.5Å; G359-W401 VanDerWaalsContact CA-CZ3 3.4Å; P360-W401 HydrophobicContact CB-CD2 4.12Å; P360-W401 HydrophobicContact CB-CG 4.28Å; P360-W401 HydrophobicContact CB-CZ2 4.11Å; F361-W401 AromaticContact CD2-CH2 3.45Å; F361-W401 HydrophobicContact CD2-CH2 3.45Å; F361-W401 VanDerWaalsContact CD2-CH2 3.45Å; F361-W401 HydrophobicContact CD2-CZ2 4.13Å; F361-W401 HydrophobicContact CD2-CZ3 4.39Å; F361-W401 AromaticContact CE2-CH2 3.63Å; F361-W401 HydrophobicContact CE2-CH2 3.63Å; F361-W401 HydrophobicContact CE2-CZ3 4.21Å; F361-W401 HydrophobicContact CG-CH2 4.23Å; G386-W401 VanDerWaalsContact C-CE3 3.49Å; G386-W401 CarbonylContact O-C 3.58Å; G386-W401 WeakPolarHBondContact O-CA 3.2Å; L387-W401 HydrophobicContact CB-CD2 4.21Å; L387-W401 HydrophobicContact CB-CE3 3.86Å; L387-W401 HydrophobicContact CB-CH2 3.89Å; L387-W401 HydrophobicContact CB-CZ2 4.25Å; L387-W401 HydrophobicContact CB-CZ3 3.69Å; L387-W401 HydrophobicContact CD1-CD2 3.7Å; L387-W401 HydrophobicContact CD1-CE3 4.23Å; L387-W401 HydrophobicContact CD1-CG 3.96Å; L387-W401 HydrophobicContact CD1-CH2 4.45Å; L387-W401 HydrophobicContact CD1-CZ2 3.97Å; L387-W401 HydrophobicContact CD2-CZ2 4.44Å; L387-W401 HydrophobicContact CG-CZ2 4.48Å; W401-N403 WeakPolarHBondContact CB-OD1 3.01Å; W401-N403 PolarHBondContact O-N 3.4Å; W401-N403 VanDerWaalsContact O-N 3.13Å; W401-N404 WeakPolarHBondContact O-CA 3.46Å; W401-N404 PolarHBondContact O-N 3.46Å; W401-M405 PolarHBondContact N-O 3.46Å |
| 402 | T | 68.4 | Low | 58.6 | Low | 10 Ų | 10 | 83.5 Ų | 83.5 | 6% | 0.061 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.5 | 175.6 | 39 | 0 | 0 | 0 | 0 | 113.8 | W343 R347 D356 G386 N404 | W343-T402 HydrophobicContact CH2-CG2 3.88Å; W343-T402 HydrophobicContact CZ2-CG2 3.61Å; R347-T402 VanDerWaalsContact CZ-CG2 3.42Å; R347-T402 PolarHBondContact NH2-O 2.65Å; D356-T402 WeakPolarHBondContact OD2-CB 3.2Å; G386-T402 WeakPolarHBondContact O-CG2 3.37Å; G386-T402 PolarHBondContact O-N 2.99Å; T402-N404 VanDerWaalsContact C-N 3.28Å |
| 403 | N | 65.6 | Low | 58.2 | Low | 5 Ų | 5 | 80.3 Ų | 80.3 | 3% | 0.027 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 10.8 | 174 | 63.9 | 13.4 | 0 | 0 | 0 | 113.9 | Y275 W401 M405 | Y275-N403 HydrophobicContact CE1-CB 3.77Å; Y275-N403 VanDerWaalsContact OH-CA 3.32Å; Y275-N403 WeakPolarHBondContact OH-CA 3.32Å; Y275-N403 WeakPolarHBondContact OH-CB 3.2Å; W401-N403 WeakPolarHBondContact CB-OD1 3.01Å; W401-N403 PolarHBondContact O-N 3.4Å; W401-N403 VanDerWaalsContact O-N 3.13Å; N403-M405 WeakPolarHBondContact ND2-CE 3.19Å; N403-M405 PolarHBondContact O-N 2.86Å; N403-M405 WeakPolarHBondContact OD1-CB 3.02Å; N403-M405 PolarHBondContact OD1-N 3.12Å; N403-M405 VanDerWaalsContact OD1-N 3.09Å |
| 404 | N | 59.8 | Low | 58 | Low | 80 Ų | 80 | 77.7 Ų | 77.7 | 43% | 0.428 | 39% | 0.394 | S | S | . | . | trans | 61.3 | 16.5 | -177.4 | -62.7 | -38.3 | 0 | 0 | 0 | 115.6 | I400 W401 T402 | I400-N404 HydrophobicContact CD1-CB 4.3Å; W401-N404 WeakPolarHBondContact O-CA 3.46Å; W401-N404 PolarHBondContact O-N 3.46Å; T402-N404 VanDerWaalsContact C-N 3.28Å | ||
| 405 | M | 64.6 | Low | 57.7 | Low | 82 Ų | 82 | 71.6 Ų | 71.6 | 40% | 0.404 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 137.5 | 168.2 | -67.2 | -154.5 | -74.6 | 0 | 0 | 110.5 | P360 W401 N403 | P360-M405 HydrophobicContact CG-CE 3.38Å; W401-M405 PolarHBondContact N-O 3.46Å; N403-M405 WeakPolarHBondContact ND2-CE 3.19Å; N403-M405 PolarHBondContact O-N 2.86Å; N403-M405 WeakPolarHBondContact OD1-CB 3.02Å; N403-M405 PolarHBondContact OD1-N 3.12Å; N403-M405 VanDerWaalsContact OD1-N 3.09Å |
| 406 | E | 63.9 | Low | 57.9 | Low | 150 Ų | 150 | 67.6 Ų | 67.6 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | B | Isolated β-bridge | trans | -62 | 145.8 | 172.8 | -85.1 | 174.1 | -176 | 0 | 0 | 110.8 | D408 | E406-D408 PolarHBondContact O-N 3.5Å |
| 407 | F | 61.7 | Low | 58 | Low | 45 Ų | 45 | 64.8 Ų | 64.8 | 20% | 0.197 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 117.7 | 174.3 | -179.2 | -116 | 0 | 0 | 0 | 110.4 | L387 F399 D409 M412 L417 | L387-F407 HydrophobicContact CD1-CB 4.14Å; L387-F407 HydrophobicContact CD1-CD2 3.73Å; L387-F407 HydrophobicContact CD1-CE2 4.49Å; L387-F407 HydrophobicContact CD1-CG 4.17Å; L387-F407 HydrophobicContact CD2-CD2 3.78Å; L387-F407 HydrophobicContact CD2-CE2 3.74Å; L387-F407 HydrophobicContact CD2-CG 4.45Å; L387-F407 HydrophobicContact CD2-CZ 4.34Å; L387-F407 HydrophobicContact CG-CD2 4.45Å; F399-F407 HydrophobicContact CB-CB 3.53Å; F399-F407 HydrophobicContact CB-CD1 3.76Å; F399-F407 HydrophobicContact CB-CG 3.71Å; F399-F407 HydrophobicContact CD2-CD1 4.1Å; F399-F407 HydrophobicContact CD2-CE1 4.33Å; F399-F407 HydrophobicContact CG-CD1 4.19Å; F399-F407 VanDerWaalsContact O-CB 3.23Å; F399-F407 WeakPolarHBondContact O-CB 3.39Å; F399-F407 PolarHBondContact O-N 2.76Å; F407-D409 WeakPolarHBondContact CE1-OD1 3.48Å; F407-M412 HydrophobicContact CE2-SD 3.75Å; F407-M412 HydrophobicContact CZ-SD 4.28Å; F407-L417 HydrophobicContact CE2-CD1 4.17Å; F407-L417 HydrophobicContact CZ-CD1 4.22Å |
| 408 | D | 63.5 | Low | 58 | Low | 63 Ų | 63 | 60.4 Ų | 60.4 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | trans | -102.7 | 98.5 | 177.7 | -177 | -1.7 | 0 | 0 | 0 | 109.5 | E406 T410 K411 | E406-D408 PolarHBondContact O-N 3.5Å; D408-T410 PolarHBondContact O-N 2.98Å; D408-T410 VanDerWaalsContact O-N 3.09Å; D408-T410 WeakPolarHBondContact OD1-CB 3.47Å; D408-T410 PolarHBondContact OD1-N 3.43Å; D408-T410 PolarHBondContact OD1-OG1 3.43Å; D408-T410 PolarHBondContact OD2-OG1 3.25Å; D408-K411 PolarHBondContact O-N 3.27Å; D408-K411 VanDerWaalsContact O-N 3.17Å; D408-K411 VanDerWaalsContact OD2-CD 3.31Å; D408-K411 WeakPolarHBondContact OD2-CD 3.4Å; D408-K411 WeakPolarHBondContact OD2-CE 3.19Å; D408-K411 IonicContact OD2-NZ 2.77Å; D408-K411 PolarHBondContact OD2-NZ 3.34Å | ||
| 409 | D | 56.1 | Low | 57.6 | Low | 122 Ų | 122 | 59.9 Ų | 59.9 | 65% | 0.652 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -52.1 | -30.7 | 178.8 | -84 | -40.1 | 0 | 0 | 0 | 112.7 | F407 K411 | F407-D409 WeakPolarHBondContact CE1-OD1 3.48Å; D409-K411 VanDerWaalsContact C-N 3.26Å; D409-K411 PolarHBondContact O-N 3.4Å |
| 410 | T | 51.1 | Low | 57.2 | Low | 106 Ų | 106 | 58.4 Ų | 58.4 | 65% | 0.65 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -70.2 | -23.1 | -174.4 | 69.6 | 0 | 0 | 0 | 0 | 113.3 | D408 | D408-T410 PolarHBondContact O-N 2.98Å; D408-T410 VanDerWaalsContact O-N 3.09Å; D408-T410 WeakPolarHBondContact OD1-CB 3.47Å; D408-T410 PolarHBondContact OD1-N 3.43Å; D408-T410 PolarHBondContact OD1-OG1 3.43Å; D408-T410 PolarHBondContact OD2-OG1 3.25Å |
| 411 | K | 49.9 | Very low | 56.8 | Low | 127 Ų | 127 | 58 Ų | 58 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -97.3 | -7.1 | -174.7 | -72.5 | 179.2 | -172.6 | 147.3 | 0 | 114.3 | K363 D408 D409 | K363-K411 WeakPolarHBondContact CG-O 3.49Å; D408-K411 PolarHBondContact O-N 3.27Å; D408-K411 VanDerWaalsContact O-N 3.17Å; D408-K411 VanDerWaalsContact OD2-CD 3.31Å; D408-K411 WeakPolarHBondContact OD2-CD 3.4Å; D408-K411 WeakPolarHBondContact OD2-CE 3.19Å; D408-K411 IonicContact OD2-NZ 2.77Å; D408-K411 PolarHBondContact OD2-NZ 3.34Å; D409-K411 VanDerWaalsContact C-N 3.26Å; D409-K411 PolarHBondContact O-N 3.4Å |
| 412 | M | 45 | Very low | 56.3 | Low | 30 Ų | 30 | 58.9 Ų | 58.9 | 15% | 0.148 | 31% | 0.313 | C | S | . | . | trans | -99.4 | 117.8 | 177.7 | -155.7 | 150.3 | -177.3 | 0 | 0 | 109.9 | F361 F407 I415 L417 | F361-M412 HydrophobicContact CB-CE 4.26Å; F361-M412 HydrophobicContact CD2-CE 3.48Å; F361-M412 VanDerWaalsContact CD2-CE 3.48Å; F361-M412 HydrophobicContact CE2-CE 4.27Å; F361-M412 HydrophobicContact CG-CE 4.31Å; F407-M412 HydrophobicContact CE2-SD 3.75Å; F407-M412 HydrophobicContact CZ-SD 4.28Å; M412-I415 HydrophobicContact CE-CB 3.93Å; M412-I415 HydrophobicContact CE-CD1 3.93Å; M412-I415 HydrophobicContact CE-CG1 4.43Å; M412-I415 HydrophobicContact CE-CG2 4.2Å; M412-L417 HydrophobicContact CE-CD1 3.51Å; M412-L417 HydrophobicContact CE-CD2 3.87Å; M412-L417 HydrophobicContact CE-CG 3.87Å; M412-L417 HydrophobicContact SD-CD1 3.64Å | ||
| 413 | F | 43.4 | Very low | 55.8 | Low | 107 Ų | 107 | 63.4 Ų | 63.4 | 47% | 0.469 | 34% | 0.344 | S | S | . | . | trans | -64.5 | 156.3 | 158.6 | -83.5 | -57.9 | 0 | 0 | 0 | 108.7 | K363 I415 | K363-F413 HydrophobicContact CB-CD2 3.21Å; K363-F413 HydrophobicContact CB-CE2 3.34Å; K363-F413 HydrophobicContact CB-CG 4.26Å; K363-F413 HydrophobicContact CB-CZ 4.46Å; K363-F413 HydrophobicContact CD-CD1 4.4Å; K363-F413 HydrophobicContact CD-CD2 3.57Å; K363-F413 HydrophobicContact CD-CE1 4.1Å; K363-F413 HydrophobicContact CD-CE2 3.2Å; K363-F413 HydrophobicContact CD-CG 4.15Å; K363-F413 HydrophobicContact CD-CZ 3.48Å; K363-F413 VanDerWaalsContact CD-CZ 3.48Å; K363-F413 VanDerWaalsContact CE-CZ 3.42Å; K363-F413 HydrophobicContact CG-CB 4.46Å; K363-F413 HydrophobicContact CG-CD1 4.49Å; K363-F413 HydrophobicContact CG-CD2 3.14Å; K363-F413 HydrophobicContact CG-CE2 3.33Å; K363-F413 HydrophobicContact CG-CG 3.78Å; K363-F413 HydrophobicContact CG-CZ 4.09Å; K363-F413 WeakPolarHBondContact O-CD2 3.23Å; F413-I415 PolarHBondContact O-N 3.29Å | ||
| 414 | S | 45.4 | Very low | 55.3 | Low | 76 Ų | 76 | 64.4 Ų | 64.4 | 53% | 0.531 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -64.5 | 54.6 | -166.2 | 34 | 0 | 0 | 0 | 0 | 115.8 | H416 | S414-H416 PolarHBondContact O-CD2 2.96Å; S414-H416 PolarHBondContact O-N 3.09Å |
| 415 | I | 45.7 | Very low | 55 | Low | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.087 | 36% | 0.357 | C | S | . | . | trans | -66.7 | 107.4 | 157.1 | -58.9 | 175.6 | 0 | 0 | 0 | 104.9 | I365 M412 F413 L417 I443 L456 | I365-I415 HydrophobicContact CG2-CD1 4.12Å; M412-I415 HydrophobicContact CE-CB 3.93Å; M412-I415 HydrophobicContact CE-CD1 3.93Å; M412-I415 HydrophobicContact CE-CG1 4.43Å; M412-I415 HydrophobicContact CE-CG2 4.2Å; F413-I415 PolarHBondContact O-N 3.29Å; I415-L417 VanDerWaalsContact C-N 3.32Å; I415-L417 HydrophobicContact CG2-CD2 4.26Å; I415-L417 HydrophobicContact CG2-CG 4.39Å; I415-L417 PolarHBondContact O-N 3.31Å; I415-I443 HydrophobicContact CG2-CD1 4.22Å; I415-I443 HydrophobicContact CG2-CG1 3.95Å; I415-I443 HydrophobicContact CG2-CG2 4.33Å; I415-L456 HydrophobicContact CD1-CD1 3.94Å; I415-L456 HydrophobicContact CG1-CD1 3.85Å; I415-L456 HydrophobicContact CG2-CD1 4.41Å | ||
| 416 | H | 50 | Low | 54.2 | Low | 51 Ų | 51 | 70.7 Ų | 70.7 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | trans | -72.3 | 96.3 | 174 | -75.8 | -101.2 | 0 | 0 | 0 | 108.5 | S414 F457 R458 | S414-H416 PolarHBondContact O-CD2 2.96Å; S414-H416 PolarHBondContact O-N 3.09Å; H416-F457 WeakPolarHBondContact CB-O 3.32Å; H416-R458 WeakPolarHBondContact CD2-CA 3.46Å; H416-R458 VanDerWaalsContact CD2-CB 3.42Å; H416-R458 WeakPolarHBondContact CD2-CB 3.43Å; H416-R458 WeakPolarHBondContact CD2-CG 3.15Å; H416-R458 WeakPolarHBondContact NE2-CB 3.17Å; H416-R458 WeakPolarHBondContact NE2-CD 3.25Å; H416-R458 WeakPolarHBondContact NE2-CG 3.12Å | ||
| 417 | L | 52.9 | Low | 53.1 | Low | 33 Ų | 33 | 69.2 Ų | 69.2 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | trans | -69.2 | 124.7 | 173.2 | -73.8 | 166.5 | 0 | 0 | 0 | 109.1 | L387 F407 M412 I415 V441 I443 | L387-L417 HydrophobicContact CD2-CD1 3.62Å; F407-L417 HydrophobicContact CE2-CD1 4.17Å; F407-L417 HydrophobicContact CZ-CD1 4.22Å; M412-L417 HydrophobicContact CE-CD1 3.51Å; M412-L417 HydrophobicContact CE-CD2 3.87Å; M412-L417 HydrophobicContact CE-CG 3.87Å; M412-L417 HydrophobicContact SD-CD1 3.64Å; I415-L417 VanDerWaalsContact C-N 3.32Å; I415-L417 HydrophobicContact CG2-CD2 4.26Å; I415-L417 HydrophobicContact CG2-CG 4.39Å; I415-L417 PolarHBondContact O-N 3.31Å; L417-V441 HydrophobicContact CB-CG1 3.42Å; L417-V441 VanDerWaalsContact CB-CG1 3.42Å; L417-V441 HydrophobicContact CD1-CG1 4.15Å; L417-V441 HydrophobicContact CD2-CG1 3.21Å; L417-V441 HydrophobicContact CG-CG1 3.71Å; L417-I443 HydrophobicContact CD2-CD1 4.42Å; L417-I443 HydrophobicContact CD2-CG1 3.8Å | ||
| 418 | L | 54.1 | Low | 52.2 | Low | 20 Ų | 20 | 73.9 Ų | 73.9 | 11% | 0.105 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.9 | 176.7 | -73.4 | 160.4 | 0 | 0 | 0 | 109 | V420 F428 V441 A442 E444 | L418-V420 HydrophobicContact CB-CG2 4.41Å; L418-V420 PolarHBondContact O-N 3.35Å; L418-F428 HydrophobicContact CD1-CE2 4.15Å; L418-F428 HydrophobicContact CD2-CE2 3.95Å; L418-F428 HydrophobicContact CD2-CZ 3.91Å; L418-V441 WeakPolarHBondContact O-CA 3.49Å; L418-A442 PolarHBondContact N-O 3.43Å; L418-A442 PolarHBondContact O-N 3.4Å; L418-E444 HydrophobicContact CD1-CB 4.26Å |
| 419 | A | 55.7 | Low | 50.9 | Low | 44 Ų | 44 | 82.7 Ų | 82.7 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 114 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I389 C440 | I389-A419 HydrophobicContact CD1-CB 4.13Å; A419-C440 CarbonylContact C-O 3.56Å; A419-C440 WeakPolarHBondContact CA-O 3.41Å |
| 420 | V | 59 | Low | 49.9 | Very low | 28 Ų | 28 | 85.8 Ų | 85.8 | 17% | 0.17 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 148 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | W384 L418 C422 C440 | W384-V420 HydrophobicContact CH2-CB 3.68Å; W384-V420 HydrophobicContact CH2-CG1 3.86Å; W384-V420 HydrophobicContact CH2-CG2 4.49Å; W384-V420 HydrophobicContact CZ3-CB 4Å; L418-V420 HydrophobicContact CB-CG2 4.41Å; L418-V420 PolarHBondContact O-N 3.35Å; V420-C422 PolarHBondContact O-N 2.71Å; V420-C422 VanDerWaalsContact O-N 3.11Å; V420-C440 PolarHBondContact N-O 3.47Å; V420-C440 PolarHBondContact O-N 2.86Å |
| 421 | S | 63.2 | Low | 49.2 | Very low | 17 Ų | 17 | 86.2 Ų | 86.2 | 12% | 0.119 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 121.8 | 170.9 | 171.8 | 0 | 0 | 0 | 0 | 109.8 | C423 S424 | S421-C423 PolarHBondContact O-N 2.91Å; S421-C423 PolarHBondContact OG-N 3.27Å; S421-S424 PolarHBondContact O-N 2.89Å; S421-S424 VanDerWaalsContact O-N 3.1Å |
| 422 | C | 63.5 | Low | 48.6 | Very low | 23 Ų | 23 | 87.7 Ų | 87.7 | 16% | 0.155 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.6 | -179.5 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | W343 V420 P438 G439 C440 | W343-C422 PolarHBondContact N-O 2.98Å; V420-C422 PolarHBondContact O-N 2.71Å; V420-C422 VanDerWaalsContact O-N 3.11Å; C422-P438 PolarHBondContact N-O 3.43Å; C422-P438 PolarHBondContact SG-O 3.34Å; C422-G439 VanDerWaalsContact SG-C 3.57Å; C422-C440 HydrophobicContact CB-CB 3.96Å; C422-C440 WeakPolarHBondContact CB-SG 3.04Å; C422-C440 WeakPolarHBondContact SG-CB 3.42Å; C422-C440 PolarHBondContact SG-N 3.47Å; C422-C440 CovalentContact SG-SG 2.03Å; C422-C440 PolarHBondContact SG-SG 2.89Å |
| 423 | C | 58.7 | Low | 48.3 | Very low | 105 Ų | 105 | 89.8 Ų | 89.8 | 71% | 0.709 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -9.3 | -175.6 | -56.6 | 0 | 0 | 0 | 0 | 113.7 | S421 | S421-C423 PolarHBondContact O-N 2.91Å; S421-C423 PolarHBondContact OG-N 3.27Å |
| 424 | S | 55.1 | Low | 48.4 | Very low | 27 Ų | 27 | 90.8 Ų | 90.8 | 19% | 0.189 | 46% | 0.455 | C | S | . | . | trans | -82 | 124.7 | -176.7 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | S421 K426 | S421-S424 PolarHBondContact O-N 2.89Å; S421-S424 VanDerWaalsContact O-N 3.1Å; S424-K426 PolarHBondContact OG-N 3.23Å; S424-K426 PolarHBondContact OG-O 3.46Å; S424-K426 VanDerWaalsContact OG-O 3.06Å | ||
| 425 | Q | 53 | Low | 48.4 | Very low | 116 Ų | 116 | 90.8 Ų | 90.8 | 54% | 0.542 | 45% | 0.453 | S | S | . | . | trans | -89.1 | -5.1 | 160.6 | -66.4 | -177.7 | -7.3 | 0 | 0 | 112.2 | ||||
| 426 | K | 46.6 | Very low | 48.2 | Very low | 177 Ų | 177 | 94.8 Ų | 94.8 | 77% | 0.77 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -98.3 | 154.2 | -170.1 | -76.2 | -171.6 | 176.9 | -177.3 | 0 | 113.5 | S424 | S424-K426 PolarHBondContact OG-N 3.23Å; S424-K426 PolarHBondContact OG-O 3.46Å; S424-K426 VanDerWaalsContact OG-O 3.06Å |
| 427 | T | 41.7 | Very low | 48.2 | Very low | 120 Ų | 120 | 94.1 Ų | 94.1 | 74% | 0.736 | 48% | 0.478 | S | S | * | . | trans | -61.9 | 149.1 | -178.5 | 31.1 | 0 | 0 | 0 | 0 | 114.9 | R429 | T427-R429 VanDerWaalsContact C-N 3.31Å; T427-R429 PolarHBondContact O-N 2.82Å; T427-R429 VanDerWaalsContact O-N 3.12Å | ||
| 428 | F | 41.9 | Very low | 48.2 | Very low | 143 Ų | 143 | 95.8 Ų | 95.8 | 63% | 0.627 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -14.4 | -169.2 | -165 | -99.8 | 0 | 0 | 0 | 118.3 | L418 E430 | L418-F428 HydrophobicContact CD1-CE2 4.15Å; L418-F428 HydrophobicContact CD2-CE2 3.95Å; L418-F428 HydrophobicContact CD2-CZ 3.91Å; F428-E430 PolarHBondContact O-N 2.89Å |
| 429 | R | 37.1 | Very low | 48.8 | Very low | 247 Ų | 247 | 94.9 Ų | 94.9 | 93% | 0.932 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -11.6 | -163.2 | -83.7 | -170 | 176.7 | -171.3 | -0.7 | 116.2 | T427 | T427-R429 VanDerWaalsContact C-N 3.31Å; T427-R429 PolarHBondContact O-N 2.82Å; T427-R429 VanDerWaalsContact O-N 3.12Å |
| 430 | E | 34.1 | Very low | 49.6 | Very low | 187 Ų | 187 | 92.9 Ų | 92.9 | 87% | 0.874 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -122.9 | 1.8 | -171.5 | -71.7 | 178.9 | 171 | 0 | 0 | 114.7 | F428 N432 | F428-E430 PolarHBondContact O-N 2.89Å; E430-N432 PolarHBondContact O-N 3.42Å |
| 431 | F | 36.4 | Very low | 50.3 | Low | 115 Ų | 115 | 91.6 Ų | 91.6 | 50% | 0.504 | 46% | 0.462 | S | S | . | . | trans | -90.9 | 99.1 | -171.7 | -144.8 | -92.3 | 0 | 0 | 0 | 112.5 | W433 | F431-W433 HydrophobicContact CD1-CB 4.29Å; F431-W433 PolarHBondContact O-N 2.71Å; F431-W433 VanDerWaalsContact O-N 3.11Å | ||
| 432 | N | 38.5 | Very low | 50.9 | Low | 158 Ų | 158 | 90.8 Ų | 90.8 | 85% | 0.845 | 46% | 0.456 | S | S | * | . | trans | -71 | 93.9 | 161.1 | -94.7 | -13.6 | 0 | 0 | 0 | 108.6 | E430 Q434 | E430-N432 PolarHBondContact O-N 3.42Å; N432-Q434 PolarHBondContact O-N 3.18Å | ||
| 433 | W | 38.5 | Very low | 51.5 | Low | 74 Ų | 74 | 89.9 Ų | 89.9 | 28% | 0.28 | 45% | 0.45 | S | S | . | . | trans | -68.1 | 123.7 | 178.9 | -171.8 | 84.1 | 0 | 0 | 0 | 110.8 | I389 F397 F431 P435 T437 | I389-W433 HydrophobicContact CD1-CH2 4.15Å; I389-W433 HydrophobicContact CD1-CZ2 3.71Å; F397-W433 HydrophobicContact CD1-CH2 4.38Å; F397-W433 AromaticContact CE1-CH2 3.77Å; F397-W433 HydrophobicContact CE1-CH2 3.77Å; F397-W433 AromaticContact CE1-CZ3 3.85Å; F397-W433 HydrophobicContact CE1-CZ3 3.85Å; F431-W433 HydrophobicContact CD1-CB 4.29Å; F431-W433 PolarHBondContact O-N 2.71Å; F431-W433 VanDerWaalsContact O-N 3.11Å; W433-P435 VanDerWaalsContact CZ3-CA 3.48Å; W433-P435 HydrophobicContact CZ3-CB 4.37Å; W433-T437 VanDerWaalsContact CD1-OG1 3.26Å; W433-T437 VanDerWaalsContact CZ2-O 3.28Å; W433-T437 WeakPolarHBondContact CZ2-O 3.22Å; W433-T437 PolarHBondContact NE1-O 3.06Å; W433-T437 PolarHBondContact NE1-OG1 2.87Å | ||
| 434 | Q | 45.4 | Very low | 52.2 | Low | 128 Ų | 128 | 88.7 Ų | 88.7 | 60% | 0.598 | 43% | 0.434 | S | S | * | . | trans | -94.8 | 142.2 | 171.9 | -73.5 | -171.6 | -27.5 | 0 | 0 | 110.3 | N432 T436 T437 | N432-Q434 PolarHBondContact O-N 3.18Å; Q434-T436 PolarHBondContact O-N 3.29Å; Q434-T437 PolarHBondContact O-N 3.34Å; Q434-T437 PolarHBondContact O-OG1 3.03Å | ||
| 435 | P | 44.5 | Very low | 53.1 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 50% | 0.5 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -24.5 | -178 | -26.5 | 33 | 0 | 0 | 0 | 115.8 | F397 W433 | F397-P435 HydrophobicContact CZ-CB 4.32Å; W433-P435 VanDerWaalsContact CZ3-CA 3.48Å; W433-P435 HydrophobicContact CZ3-CB 4.37Å |
| 436 | T | 43.4 | Very low | 54 | Low | 100 Ų | 100 | 83 Ų | 83 | 61% | 0.613 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -10.4 | -177.7 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | Q434 | Q434-T436 PolarHBondContact O-N 3.29Š|
| 437 | T | 48.1 | Very low | 55.2 | Low | 38 Ų | 38 | 75.4 Ų | 75.4 | 23% | 0.233 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -85.7 | 129.4 | -178.2 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | W433 Q434 G439 | W433-T437 VanDerWaalsContact CD1-OG1 3.26Å; W433-T437 VanDerWaalsContact CZ2-O 3.28Å; W433-T437 WeakPolarHBondContact CZ2-O 3.22Å; W433-T437 PolarHBondContact NE1-O 3.06Å; W433-T437 PolarHBondContact NE1-OG1 2.87Å; Q434-T437 PolarHBondContact O-N 3.34Å; Q434-T437 PolarHBondContact O-OG1 3.03Å; T437-G439 PolarHBondContact O-N 3.19Å |
| 438 | P | 54.5 | Low | 56.5 | Low | 68 Ų | 68 | 78 Ų | 78 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | trans | -61.3 | 113.8 | 176.9 | 22.9 | -30.8 | 0 | 0 | 0 | 110.1 | C422 | C422-P438 PolarHBondContact N-O 3.43Å; C422-P438 PolarHBondContact SG-O 3.34Å | ||
| 439 | G | 65.2 | Low | 57.3 | Low | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I389 C422 T437 | I389-G439 PolarHBondContact N-O 3.2Å; C422-G439 VanDerWaalsContact SG-C 3.57Å; T437-G439 PolarHBondContact O-N 3.19Å |
| 440 | C | 72.9 | Confident | 58.3 | Low | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.014 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 147.8 | 172 | -75.5 | 0 | 0 | 0 | 0 | 109.2 | W343 W384 A419 V420 C422 | W343-C440 HydrophobicContact CB-CB 3.87Å; W343-C440 HydrophobicContact CD2-CB 4.28Å; W343-C440 HydrophobicContact CG-CB 3.64Å; W384-C440 HydrophobicContact CE3-CB 4.26Å; W384-C440 HydrophobicContact CH2-CB 4.26Å; W384-C440 HydrophobicContact CZ3-CB 3.66Å; A419-C440 CarbonylContact C-O 3.56Å; A419-C440 WeakPolarHBondContact CA-O 3.41Å; V420-C440 PolarHBondContact N-O 3.47Å; V420-C440 PolarHBondContact O-N 2.86Å; C422-C440 HydrophobicContact CB-CB 3.96Å; C422-C440 WeakPolarHBondContact CB-SG 3.04Å; C422-C440 WeakPolarHBondContact SG-CB 3.42Å; C422-C440 PolarHBondContact SG-N 3.47Å; C422-C440 CovalentContact SG-SG 2.03Å; C422-C440 PolarHBondContact SG-SG 2.89Å |
| 441 | V | 75 | Confident | 59.2 | Low | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.006 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.5 | -170.5 | 175.7 | 0 | 0 | 0 | 0 | 112 | T385 L387 F399 L417 L418 | T385-V441 PolarHBondContact N-O 3.32Å; T385-V441 PolarHBondContact OG1-O 2.81Å; L387-V441 HydrophobicContact CB-CB 3.91Å; L387-V441 HydrophobicContact CB-CG1 4.34Å; L387-V441 HydrophobicContact CB-CG2 4.18Å; L387-V441 HydrophobicContact CD2-CB 4.33Å; L387-V441 HydrophobicContact CD2-CG1 4.23Å; L387-V441 HydrophobicContact CD2-CG2 4.04Å; L387-V441 HydrophobicContact CG-CB 4.36Å; L387-V441 HydrophobicContact CG-CG2 4.1Å; L387-V441 VanDerWaalsContact O-CB 3.3Å; L387-V441 WeakPolarHBondContact O-CB 3.27Å; L387-V441 PolarHBondContact O-N 3.38Å; F399-V441 HydrophobicContact CD1-CG2 4.06Å; F399-V441 HydrophobicContact CE1-CG2 3.83Å; L417-V441 HydrophobicContact CB-CG1 3.42Å; L417-V441 VanDerWaalsContact CB-CG1 3.42Å; L417-V441 HydrophobicContact CD1-CG1 4.15Å; L417-V441 HydrophobicContact CD2-CG1 3.21Å; L417-V441 HydrophobicContact CG-CG1 3.71Å; L418-V441 WeakPolarHBondContact O-CA 3.49Å |
| 442 | A | 75.3 | Confident | 60.3 | Low | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 153.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | L382 M383 W384 L418 | L382-A442 HydrophobicContact CD1-CB 3.68Å; L382-A442 HydrophobicContact CD2-CB 4.47Å; L382-A442 HydrophobicContact CG-CB 3.92Å; M383-A442 CarbonylContact O-C 3.58Å; M383-A442 VanDerWaalsContact O-CA 3.24Å; M383-A442 WeakPolarHBondContact O-CA 3.4Å; W384-A442 HydrophobicContact CD2-CB 4.43Å; W384-A442 HydrophobicContact CE3-CB 3.77Å; W384-A442 HydrophobicContact CZ3-CB 4.02Å; L418-A442 PolarHBondContact N-O 3.43Å; L418-A442 PolarHBondContact O-N 3.4Å |
| 443 | I | 76.1 | Confident | 61.7 | Low | 4 Ų | 4 | 81.9 Ų | 81.9 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.8 | 171.8 | -68.7 | 171.2 | 0 | 0 | 0 | 108.7 | F361 L382 M383 T385 I415 L417 L456 | F361-I443 HydrophobicContact CD2-CD1 4.39Å; F361-I443 HydrophobicContact CE2-CD1 3.48Å; F361-I443 VanDerWaalsContact CE2-CD1 3.48Å; F361-I443 HydrophobicContact CZ-CD1 3.61Å; L382-I443 WeakPolarHBondContact CA-O 3.37Å; M383-I443 HydrophobicContact CE-CG2 4.14Å; M383-I443 PolarHBondContact N-O 2.96Å; M383-I443 PolarHBondContact O-N 3.02Å; T385-I443 HydrophobicContact CG2-CB 4.43Å; T385-I443 HydrophobicContact CG2-CD1 3.55Å; T385-I443 HydrophobicContact CG2-CG1 3.6Å; I415-I443 HydrophobicContact CG2-CD1 4.22Å; I415-I443 HydrophobicContact CG2-CG1 3.95Å; I415-I443 HydrophobicContact CG2-CG2 4.33Å; L417-I443 HydrophobicContact CD2-CD1 4.42Å; L417-I443 HydrophobicContact CD2-CG1 3.8Å; I443-L456 HydrophobicContact CG2-CD2 3.71Å |
| 444 | E | 72.8 | Confident | 63.1 | Low | 79 Ų | 79 | 78.5 Ų | 78.5 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 116.6 | 169 | -171.8 | 174.6 | -157.9 | 0 | 0 | 109.8 | L382 L418 F457 | L382-E444 HydrophobicContact CD1-CB 4.17Å; L418-E444 HydrophobicContact CD1-CB 4.26Å; E444-F457 PolarHBondContact O-N 2.71Å |
| 445 | A | 73.6 | Confident | 64.1 | Low | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | M373 D380 A381 M383 L456 | M373-A445 HydrophobicContact CE-CB 3.86Å; D380-A445 CarbonylContact C-O 3.45Å; D380-A445 VanDerWaalsContact CA-O 3.24Å; D380-A445 WeakPolarHBondContact CA-O 3.47Å; A381-A445 PolarHBondContact N-O 2.88Å; A381-A445 PolarHBondContact O-N 3.21Å; M383-A445 HydrophobicContact CE-CB 3.91Å; A445-L456 HydrophobicContact CB-CD2 3.48Å; A445-L456 VanDerWaalsContact CB-CD2 3.48Å |
| 446 | S | 73.2 | Confident | 65.1 | Low | 23 Ų | 23 | 72.4 Ų | 72.4 | 16% | 0.161 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.5 | 169.5 | 156.8 | 0 | 0 | 0 | 0 | 112.5 | D380 T455 F457 | D380-S446 WeakPolarHBondContact OD1-CA 3.46Å; D380-S446 WeakPolarHBondContact OD1-CB 3.45Å; D380-S446 PolarHBondContact OD1-OG 2.9Å; S446-T455 PolarHBondContact N-O 3.36Å; S446-T455 PolarHBondContact O-N 3.06Å; S446-T455 VanDerWaalsContact O-O 3.08Å; S446-T455 PolarHBondContact O-OG1 3.17Å; S446-F457 VanDerWaalsContact CB-CD2 3.5Å; S446-F457 WeakPolarHBondContact OG-CE2 3.22Å |
| 447 | C | 72 | Confident | 65.6 | Low | 18 Ų | 18 | 70.9 Ų | 70.9 | 12% | 0.122 | 32% | 0.316 | C | S | . | . | trans | -112.9 | 99.2 | -169.2 | -60.1 | 0 | 0 | 0 | 0 | 108.4 | A378 D380 K449 C454 | A378-C447 PolarHBondContact O-SG 3.39Å; A378-C447 VanDerWaalsContact O-SG 3.4Å; D380-C447 PolarHBondContact OD1-N 3.09Å; D380-C447 VanDerWaalsContact OD1-N 3.16Å; C447-K449 PolarHBondContact O-N 2.99Å; C447-C454 HydrophobicContact CB-CB 4.05Å; C447-C454 WeakPolarHBondContact CB-SG 3.26Å; C447-C454 WeakPolarHBondContact SG-CB 3.42Å; C447-C454 CovalentContact SG-SG 2.03Å; C447-C454 PolarHBondContact SG-SG 2.82Å | ||
| 448 | R | 68.3 | Low | 65 | Low | 175 Ų | 175 | 77.9 Ų | 77.9 | 66% | 0.66 | 34% | 0.338 | S | S | * | . | trans | -68.4 | 123.7 | 177.1 | -71.2 | -168.3 | 178.4 | -164.8 | 1.5 | 109.9 | K450 R451 | R448-K450 PolarHBondContact O-N 3.22Å; R448-R451 PolarHBondContact O-N 3.16Å | ||
| 449 | K | 59 | Low | 64 | Low | 189 Ų | 189 | 77.5 Ų | 77.5 | 82% | 0.822 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -20.3 | -179.1 | -74.4 | -177.1 | 177.4 | 176 | 0 | 116.3 | C447 | C447-K449 PolarHBondContact O-N 2.99Š|
| 450 | K | 57 | Low | 62.4 | Low | 212 Ų | 212 | 84.6 Ų | 84.6 | 92% | 0.922 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | -3.8 | -177.4 | -73.2 | -170.9 | 177.4 | -178.3 | 0 | 115.8 | R448 | R448-K450 PolarHBondContact O-N 3.22Š|
| 451 | R | 53 | Low | 60.1 | Low | 203 Ų | 203 | 89.2 Ų | 89.2 | 77% | 0.766 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -114.8 | 136.1 | 174.4 | -72.3 | -160.9 | 176.2 | -173.5 | 0.2 | 110.1 | R448 H453 | R448-R451 PolarHBondContact O-N 3.16Å; R451-H453 PolarHBondContact O-N 3.44Å |
| 452 | R | 60.2 | Low | 58 | Low | 242 Ų | 242 | 94.6 Ų | 94.6 | 91% | 0.913 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -68.9 | 23.3 | 173.9 | -66.4 | -176.4 | 179.2 | 176.8 | -0.4 | 113.2 | I374 | I374-R452 VanDerWaalsContact CD1-O 3.24Å; I374-R452 WeakPolarHBondContact CD1-O 3.3Å |
| 453 | H | 67.6 | Low | 55.6 | Low | 84 Ų | 84 | 104.6 Ų | 104.6 | 39% | 0.389 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -145.8 | 121.1 | -174.4 | -163.2 | 65.4 | 0 | 0 | 0 | 108.2 | S370 R451 | S370-H453 PolarHBondContact OG-ND1 2.83Å; R451-H453 PolarHBondContact O-N 3.44Å |
| 454 | C | 68.2 | Low | 53.2 | Low | 3 Ų | 3 | 111.8 Ų | 111.8 | 2% | 0.02 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 134.2 | 165.6 | -61.9 | 0 | 0 | 0 | 0 | 108.7 | S370 C447 | S370-C454 PolarHBondContact OG-N 3.42Å; S370-C454 PolarHBondContact OG-O 2.94Å; C447-C454 HydrophobicContact CB-CB 4.05Å; C447-C454 WeakPolarHBondContact CB-SG 3.26Å; C447-C454 WeakPolarHBondContact SG-CB 3.42Å; C447-C454 CovalentContact SG-SG 2.03Å; C447-C454 PolarHBondContact SG-SG 2.82Å |
| 455 | T | 66.4 | Low | 51 | Low | 57 Ų | 57 | 114.3 Ų | 114.3 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129.2 | 172.6 | 15.8 | 0 | 0 | 0 | 0 | 108.5 | S446 F457 | S446-T455 PolarHBondContact N-O 3.36Å; S446-T455 PolarHBondContact O-N 3.06Å; S446-T455 VanDerWaalsContact O-O 3.08Å; S446-T455 PolarHBondContact O-OG1 3.17Å; T455-F457 WeakPolarHBondContact O-CD2 3.07Å; T455-F457 VanDerWaalsContact O-CE2 3.29Å; T455-F457 WeakPolarHBondContact O-CE2 3.49Å; T455-F457 VanDerWaalsContact OG1-CE2 3.26Å; T455-F457 WeakPolarHBondContact OG1-CE2 3.35Å; T455-F457 WeakPolarHBondContact OG1-CZ 3.18Å |
| 456 | L | 64.9 | Low | 48.7 | Very low | 20 Ų | 20 | 118.5 Ų | 118.5 | 11% | 0.105 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 118.1 | 165 | -57.6 | 176.2 | 0 | 0 | 0 | 106.5 | E366 I415 I443 A445 | E366-L456 HydrophobicContact CB-CD1 4.18Å; E366-L456 HydrophobicContact CG-CD1 3.82Å; E366-L456 HydrophobicContact CG-CG 4.32Å; I415-L456 HydrophobicContact CD1-CD1 3.94Å; I415-L456 HydrophobicContact CG1-CD1 3.85Å; I415-L456 HydrophobicContact CG2-CD1 4.41Å; I443-L456 HydrophobicContact CG2-CD2 3.71Å; A445-L456 HydrophobicContact CB-CD2 3.48Å; A445-L456 VanDerWaalsContact CB-CD2 3.48Å |
| 457 | F | 54.5 | Low | 46.5 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 30% | 0.298 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -84.4 | 153.1 | -164.5 | -80.3 | -96.2 | 0 | 0 | 0 | 113.9 | H416 E444 S446 T455 | H416-F457 WeakPolarHBondContact CB-O 3.32Å; E444-F457 PolarHBondContact O-N 2.71Å; S446-F457 VanDerWaalsContact CB-CD2 3.5Å; S446-F457 WeakPolarHBondContact OG-CE2 3.22Å; T455-F457 WeakPolarHBondContact O-CD2 3.07Å; T455-F457 VanDerWaalsContact O-CE2 3.29Å; T455-F457 WeakPolarHBondContact O-CE2 3.49Å; T455-F457 VanDerWaalsContact OG1-CE2 3.26Å; T455-F457 WeakPolarHBondContact OG1-CE2 3.35Å; T455-F457 WeakPolarHBondContact OG1-CZ 3.18Å |
| 458 | R | 34.6 | Very low | 44.2 | Very low | 185 Ų | 185 | 130.7 Ų | 130.7 | 70% | 0.698 | 61% | 0.613 | S | S | * | * | trans | -88.2 | 107.9 | 171.5 | -51.5 | -165 | 173.4 | 174.9 | -2.5 | 110.6 | H416 | H416-R458 WeakPolarHBondContact CD2-CA 3.46Å; H416-R458 VanDerWaalsContact CD2-CB 3.42Å; H416-R458 WeakPolarHBondContact CD2-CB 3.43Å; H416-R458 WeakPolarHBondContact CD2-CG 3.15Å; H416-R458 WeakPolarHBondContact NE2-CB 3.17Å; H416-R458 WeakPolarHBondContact NE2-CD 3.25Å; H416-R458 WeakPolarHBondContact NE2-CG 3.12Å | ||
| 459 | T | 34.3 | Very low | 42.2 | Very low | 60 Ų | 60 | 131.4 Ų | 131.4 | 37% | 0.368 | 62% | 0.624 | S | S | . | * | trans | -133.8 | 97.6 | 164.9 | 53.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 460 | F | 31.2 | Very low | 40.6 | Very low | 151 Ų | 151 | 126.9 Ų | 126.9 | 66% | 0.662 | 62% | 0.621 | S | S | * | * | trans | -117.3 | 115.8 | 163.6 | -140.1 | -101.5 | 0 | 0 | 0 | 106.1 | L462 | F460-L462 HydrophobicContact CD1-CB 4.18Å; F460-L462 HydrophobicContact CD1-CD1 4.34Å; F460-L462 HydrophobicContact CE1-CB 3.97Å; F460-L462 HydrophobicContact CE1-CD1 3.37Å; F460-L462 HydrophobicContact CE1-CG 4.19Å; F460-L462 HydrophobicContact CZ-CD1 3.69Å | ||
| 461 | S | 24.7 | Very low | 39 | Very low | 99 Ų | 99 | 121 Ų | 121 | 69% | 0.692 | 61% | 0.607 | S | S | * | * | trans | -133.5 | 75.2 | 163.4 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | R463 | S461-R463 PolarHBondContact O-N 2.97Š| ||
| 462 | L | 30.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 60% | 0.597 | 61% | 0.61 | S | S | * | * | trans | -74.8 | 22 | 156.8 | -111.1 | 155.9 | 0 | 0 | 0 | 110.9 | F460 N464 L465 | F460-L462 HydrophobicContact CD1-CB 4.18Å; F460-L462 HydrophobicContact CD1-CD1 4.34Å; F460-L462 HydrophobicContact CE1-CB 3.97Å; F460-L462 HydrophobicContact CE1-CD1 3.37Å; F460-L462 HydrophobicContact CE1-CG 4.19Å; F460-L462 HydrophobicContact CZ-CD1 3.69Å; L462-N464 PolarHBondContact O-N 2.61Å; L462-L465 HydrophobicContact CD2-CB 4.44Å; L462-L465 PolarHBondContact O-N 3.14Å | ||
| 463 | R | 25.1 | Very low | 35.8 | Very low | 210 Ų | 210 | 116.8 Ų | 116.8 | 79% | 0.792 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -5.3 | -171.6 | -101.4 | -173.4 | -175.5 | -163.4 | 0.5 | 115.2 | S461 | S461-R463 PolarHBondContact O-N 2.97Š|
| 464 | N | 26.5 | Very low | 33.8 | Very low | 154 Ų | 154 | 118.1 Ų | 118.1 | 82% | 0.824 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 15.2 | -179 | -73.9 | 0.9 | 0 | 0 | 0 | 115.6 | L462 | L462-N464 PolarHBondContact O-N 2.61Š|
| 465 | L | 27.2 | Very low | 31.7 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -127.8 | 3.7 | 173.1 | -103.3 | 110.3 | 0 | 0 | 0 | 116.5 | L462 | L462-L465 HydrophobicContact CD2-CB 4.44Å; L462-L465 PolarHBondContact O-N 3.14Å |
| 466 | A | 25.8 | Very low | 29.6 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -99.7 | 10.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 467 | L | 25.6 | Very low | 27.8 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -119.4 | -2 | -173 | -99.8 | 151.3 | 0 | 0 | 0 | 117.2 | ||
| 468 | D | 24.9 | Very low | 26.4 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -105.5 | 16.2 | 176.6 | -93.6 | -15.3 | 0 | 0 | 0 | 114.9 | A470 | D468-A470 PolarHBondContact O-N 3.02Š| ||
| 469 | H | 25.5 | Very low | 26.1 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 88% | 0.884 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 10.6 | 175.2 | -109.8 | -68.6 | 0 | 0 | 0 | 115 | ||
| 470 | A | 25 | Very low | 25.6 | Very low | 93 Ų | 93 | 138 Ų | 138 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 0.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116 | D468 | D468-A470 PolarHBondContact O-N 3.02Š|
| 471 | S | 23.8 | Very low | 25.5 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -144 | 60.9 | -176.4 | 37 | 0 | 0 | 0 | 0 | 113.1 | ||
| 472 | L | 22.1 | Very low | 25.5 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -149.2 | 65.5 | 151 | -140.2 | 81 | 0 | 0 | 0 | 109.5 | V474 | L472-V474 HydrophobicContact CD1-CG2 4.46Å; L472-V474 HydrophobicContact CD2-CG2 4.34Å; L472-V474 HydrophobicContact CG-CG2 3.92Å; L472-V474 PolarHBondContact O-N 2.99Å; L472-V474 VanDerWaalsContact O-N 3.15Å | ||
| 473 | Q | 23.3 | Very low | 25.3 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -72.2 | 88 | 152.3 | -74.5 | -170.8 | -33.6 | 0 | 0 | 106.5 | ||||
| 474 | V | 25.2 | Very low | 25.4 | Very low | 112 Ų | 112 | 135 Ų | 135 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | trans | -101 | 125.6 | 161.8 | 169.8 | 0 | 0 | 0 | 0 | 106.4 | L472 L476 | L472-V474 HydrophobicContact CD1-CG2 4.46Å; L472-V474 HydrophobicContact CD2-CG2 4.34Å; L472-V474 HydrophobicContact CG-CG2 3.92Å; L472-V474 PolarHBondContact O-N 2.99Å; L472-V474 VanDerWaalsContact O-N 3.15Å; V474-L476 PolarHBondContact O-N 3Å | ||
| 475 | E | 24.2 | Very low | 25.5 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -53.6 | 131.1 | -168.3 | -73.1 | 141.1 | 140.6 | 0 | 0 | 112.6 | T477 | E475-T477 VanDerWaalsContact C-N 3.32Å; E475-T477 PolarHBondContact O-N 3.37Å | ||
| 476 | L | 23.6 | Very low | 25.4 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -55.8 | 97.7 | 158.7 | -69.4 | 155.5 | 0 | 0 | 0 | 107.3 | V474 | V474-L476 PolarHBondContact O-N 3Š| ||
| 477 | T | 27.5 | Very low | 25.6 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -99.9 | 113 | 162.5 | 39.9 | 0 | 0 | 0 | 0 | 106.8 | E475 G479 | E475-T477 VanDerWaalsContact C-N 3.32Å; E475-T477 PolarHBondContact O-N 3.37Å; T477-G479 VanDerWaalsContact C-N 3.27Å; T477-G479 PolarHBondContact O-N 3.12Å | ||
| 478 | D | 24.3 | Very low | 26.1 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -59.7 | 86 | 176.6 | -70.5 | -42.5 | 0 | 0 | 0 | 110.2 | S480 | D478-S480 PolarHBondContact O-N 3.24Š| ||
| 479 | G | 28.3 | Very low | 26.4 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -91.7 | 74.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T477 S481 | T477-G479 VanDerWaalsContact C-N 3.27Å; T477-G479 PolarHBondContact O-N 3.12Å; G479-S481 PolarHBondContact O-N 3.02Å | ||
| 480 | S | 23.8 | Very low | 26.8 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -65.2 | 113 | 163.2 | 57.5 | 0 | 0 | 0 | 0 | 109.6 | D478 | D478-S480 PolarHBondContact O-N 3.24Š| ||
| 481 | S | 30.1 | Very low | 27.4 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -173.3 | 129.5 | 135 | 50.8 | 0 | 0 | 0 | 0 | 110.7 | G479 | G479-S481 PolarHBondContact O-N 3.02Š| ||
| 482 | S | 23.3 | Very low | 28.4 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -51.2 | 126.1 | 169.3 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 483 | S | 27.2 | Very low | 30.1 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -141.1 | 99.7 | 135.1 | 57.4 | 0 | 0 | 0 | 0 | 106 | E485 | S483-E485 PolarHBondContact O-N 3.46Š| ||
| 484 | E | 27.4 | Very low | 32.4 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -53.2 | 104.2 | 165.6 | -77.5 | 160.3 | 139.8 | 0 | 0 | 107.3 | D486 | E484-D486 PolarHBondContact O-N 3.25Š| ||
| 485 | E | 27.3 | Very low | 34.9 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -58.4 | 119 | 163.8 | -83.1 | 177.6 | 146.4 | 0 | 0 | 106.9 | S483 L487 | S483-E485 PolarHBondContact O-N 3.46Å; E485-L487 PolarHBondContact O-N 3.13Å | ||
| 486 | D | 26.2 | Very low | 37.7 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 88% | 0.877 | 72% | 0.722 | S | S | * | * | trans | -55.4 | 88.2 | 171.6 | -77.8 | -46.6 | 0 | 0 | 0 | 109.1 | E484 D488 | E484-D486 PolarHBondContact O-N 3.25Å; D486-D488 VanDerWaalsContact C-N 3.27Å; D486-D488 PolarHBondContact O-N 3.48Å | ||
| 487 | L | 29.6 | Very low | 40.6 | Very low | 165 Ų | 165 | 118.4 Ų | 118.4 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | trans | -60 | 98.5 | 160 | -93.8 | 133.6 | 0 | 0 | 0 | 106 | E485 E489 | E485-L487 PolarHBondContact O-N 3.13Å; L487-E489 PolarHBondContact O-N 3.34Å | ||
| 488 | D | 34.5 | Very low | 43.2 | Very low | 154 Ų | 154 | 114.7 Ų | 114.7 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | trans | -40.6 | 105.3 | 168 | -107.4 | -32.2 | 0 | 0 | 0 | 108.3 | D486 K490 | D486-D488 VanDerWaalsContact C-N 3.27Å; D486-D488 PolarHBondContact O-N 3.48Å; D488-K490 PolarHBondContact O-N 3.48Å | ||
| 489 | E | 31.8 | Very low | 45.9 | Very low | 183 Ų | 183 | 110 Ų | 110 | 86% | 0.855 | 67% | 0.667 | S | S | * | * | trans | -51.2 | 111.2 | -174.8 | -144.6 | 177.5 | -178.1 | 0 | 0 | 107 | L487 A491 | L487-E489 PolarHBondContact O-N 3.34Å; E489-A491 PolarHBondContact O-N 3.47Å | ||
| 490 | K | 35.1 | Very low | 48.3 | Very low | 200 Ų | 200 | 113.2 Ų | 113.2 | 87% | 0.87 | 66% | 0.657 | S | S | * | * | trans | -59.5 | 88.4 | 171.6 | -102 | 178.8 | 178.2 | 168.2 | 0 | 106.8 | D488 P492 | D488-K490 PolarHBondContact O-N 3.48Å; K490-P492 WeakPolarHBondContact O-CD 3.27Å | ||
| 491 | A | 36.7 | Very low | 51.1 | Low | 61 Ų | 61 | 109.1 Ų | 109.1 | 50% | 0.504 | 63% | 0.628 | S | S | . | * | trans | -56.4 | 110.3 | 171 | 0 | 0 | 0 | 0 | 0 | 106.7 | E489 G493 | E489-A491 PolarHBondContact O-N 3.47Å; A491-G493 PolarHBondContact O-N 2.81Å | ||
| 492 | P | 44.2 | Very low | 53.7 | Low | 134 Ų | 134 | 106.5 Ų | 106.5 | 87% | 0.87 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 125.7 | -175.2 | -14.7 | 29 | 0 | 0 | 0 | 108.4 | K490 | K490-P492 WeakPolarHBondContact O-CD 3.27Š|
| 493 | G | 58.4 | Low | 56.4 | Low | 76 Ų | 76 | 104.6 Ų | 104.6 | 78% | 0.784 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.1 | 15.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | A491 | A491-G493 PolarHBondContact O-N 2.81Š|
| 494 | Q | 70.9 | Confident | 58.7 | Low | 71 Ų | 71 | 99.9 Ų | 99.9 | 33% | 0.332 | 55% | 0.548 | S | S | . | . | trans | -75 | 127.9 | 164.7 | -67.6 | -165.2 | 3.5 | 0 | 0 | 111.5 | V511 K536 A538 | Q494-V511 HydrophobicContact CB-CG2 4.25Å; Q494-V511 WeakPolarHBondContact O-CG2 3.45Å; Q494-V511 PolarHBondContact O-N 3.49Å; Q494-K536 PolarHBondContact NE2-O 3.03Å; Q494-K536 PolarHBondContact OE1-O 3.03Å; Q494-A538 HydrophobicContact CB-CB 3.96Å | ||
| 495 | S | 79.2 | Confident | 61.2 | Low | 42 Ų | 42 | 96.7 Ų | 96.7 | 29% | 0.294 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.7 | 176.1 | 48.4 | 0 | 0 | 0 | 0 | 110.7 | E508 A509 A538 | S495-E508 WeakPolarHBondContact CB-OE1 3.39Å; S495-E508 PolarHBondContact OG-OE1 3.25Å; S495-A509 CarbonylContact C-O 3.44Å; S495-A509 WeakPolarHBondContact CA-O 3.37Å; S495-A509 WeakPolarHBondContact CB-O 3.21Å; S495-A538 VanDerWaalsContact C-CB 3.46Å; S495-A538 WeakPolarHBondContact O-CB 3.41Å |
| 496 | C | 82.3 | Confident | 63.8 | Low | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127.3 | 166.7 | -64.4 | 0 | 0 | 0 | 0 | 108.8 | E508 A509 C531 R539 Y540 | C496-E508 VanDerWaalsContact O-CA 3.25Å; C496-E508 WeakPolarHBondContact O-CA 3.07Å; C496-E508 VanDerWaalsContact O-CG 3.27Å; C496-E508 WeakPolarHBondContact O-CG 3.28Å; C496-A509 PolarHBondContact N-O 2.91Å; C496-A509 PolarHBondContact O-N 2.04Å; C496-A509 VanDerWaalsContact O-N 3.11Å; C496-C531 HydrophobicContact CB-CB 3.87Å; C496-C531 WeakPolarHBondContact CB-SG 3.37Å; C496-C531 PolarHBondContact N-SG 2.87Å; C496-C531 VanDerWaalsContact N-SG 3.38Å; C496-C531 WeakPolarHBondContact SG-CA 3.2Å; C496-C531 WeakPolarHBondContact SG-CB 2.93Å; C496-C531 CovalentContact SG-SG 2.02Å; C496-C531 PolarHBondContact SG-SG 3.14Å; C496-R539 VanDerWaalsContact SG-CA 3.52Å; C496-R539 PolarHBondContact SG-N 3.37Å; C496-R539 VanDerWaalsContact SG-N 3.39Å; C496-R539 PolarHBondContact SG-O 3.29Å; C496-R539 VanDerWaalsContact SG-O 3.33Å; C496-Y540 HydrophobicContact CB-CD2 3.73Å; C496-Y540 HydrophobicContact CB-CE1 4.45Å; C496-Y540 HydrophobicContact CB-CE2 3.6Å; C496-Y540 HydrophobicContact CB-CG 4.2Å; C496-Y540 PolarHBondContact SG-N 3.45Å; C496-Y540 VanDerWaalsContact SG-N 3.43Å |
| 497 | A | 83.7 | Confident | 66.3 | Low | 71 Ų | 71 | 82.2 Ų | 82.2 | 59% | 0.587 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 147.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 498 | A | 82 | Confident | 68.8 | Low | 48 Ų | 48 | 78 Ų | 78 | 40% | 0.397 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 140.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y505 W506 E508 | A498-Y505 HydrophobicContact CB-CE2 4.34Å; A498-W506 CarbonylContact C-O 3.47Å; A498-W506 WeakPolarHBondContact CA-O 3.46Å; A498-E508 HydrophobicContact CB-CB 4.49Å |
| 499 | T | 81.5 | Confident | 70.7 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 171.8 | -176.6 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | W506 W529 Y540 | T499-W506 HydrophobicContact CG2-CB 4.08Å; T499-W506 PolarHBondContact N-O 3.39Å; T499-W506 PolarHBondContact O-N 3.45Å; T499-W506 VanDerWaalsContact O-O 3.09Å; T499-W529 HydrophobicContact CG2-CH2 4.05Å; T499-W529 HydrophobicContact CG2-CZ3 3.59Å; T499-Y540 HydrophobicContact CG2-CD2 4.21Å; T499-Y540 HydrophobicContact CG2-CE2 4.48Å |
| 500 | Y | 79 | Confident | 73.1 | Confident | 143 Ų | 143 | 65.1 Ų | 65.1 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.7 | 175.5 | -160.5 | -99.1 | 0 | 0 | 0 | 109.1 | N503 Y505 | Y500-N503 PolarHBondContact OH-O 3.41Å; Y500-Y505 HydrophobicContact CD2-CD2 4.36Å |
| 501 | S | 83.8 | Confident | 75.4 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 140.8 | -178 | -174 | 0 | 0 | 0 | 0 | 111 | N503 V504 W506 P545 | S501-N503 VanDerWaalsContact C-N 3.25Å; S501-N503 PolarHBondContact O-N 3.5Å; S501-V504 PolarHBondContact N-O 3.32Å; S501-V504 PolarHBondContact O-N 3.5Å; S501-V504 VanDerWaalsContact O-O 3.11Å; S501-W506 PolarHBondContact O-NE1 3.22Å; S501-P545 WeakPolarHBondContact OG-CD 3.42Å |
| 502 | R | 84.7 | Confident | 77.4 | Confident | 57 Ų | 57 | 58 Ų | 58 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 43.3 | -176.4 | -60.2 | -69.8 | -82.1 | 151.5 | 4.2 | 113.5 | V504 P520 V544 P545 M547 L585 Y586 D648 | R502-V504 PolarHBondContact O-N 3.24Å; R502-P520 WeakPolarHBondContact O-CG 3.4Å; R502-V544 HydrophobicContact CG-CG1 3.99Å; R502-P545 HydrophobicContact CB-CG 4.17Å; R502-P545 HydrophobicContact CG-CG 3.88Å; R502-M547 HydrophobicContact CB-CE 4.15Å; R502-M547 HydrophobicContact CB-CG 4.32Å; R502-M547 HydrophobicContact CB-SD 4.18Å; R502-M547 HydrophobicContact CG-CG 4.36Å; R502-L585 PolarHBondContact NH2-O 3Å; R502-Y586 HydrophobicContact CB-CE1 4.46Å; R502-D648 IonicContact CZ-OD1 3.18Å; R502-D648 IonicContact CZ-OD2 3.19Å; R502-D648 IonicContact NE-OD1 2.88Å; R502-D648 PolarHBondContact NE-OD1 2.96Å; R502-D648 IonicContact NE-OD2 3.22Å; R502-D648 PolarHBondContact NE-OD2 3.09Å; R502-D648 IonicContact NH2-OD1 3.65Å; R502-D648 PolarHBondContact NH2-OD1 3.31Å; R502-D648 IonicContact NH2-OD2 2.76Å; R502-D648 PolarHBondContact NH2-OD2 3.13Å |
| 503 | N | 80 | Confident | 78.9 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 25.1 | -177.2 | -57 | -45.4 | 0 | 0 | 0 | 115 | Y500 S501 P520 Y586 | Y500-N503 PolarHBondContact OH-O 3.41Å; S501-N503 VanDerWaalsContact C-N 3.25Å; S501-N503 PolarHBondContact O-N 3.5Å; N503-P520 HydrophobicContact CB-CB 4.06Å; N503-P520 HydrophobicContact CB-CG 3.98Å; N503-Y586 PolarHBondContact ND2-OH 3.02Å |
| 504 | V | 75.4 | Confident | 80.2 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.9 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | S501 R502 W506 R517 P520 M547 | S501-V504 PolarHBondContact N-O 3.32Å; S501-V504 PolarHBondContact O-N 3.5Å; S501-V504 VanDerWaalsContact O-O 3.11Å; R502-V504 PolarHBondContact O-N 3.24Å; V504-W506 HydrophobicContact CB-CZ2 4.24Å; V504-W506 HydrophobicContact CG1-CD2 4.39Å; V504-W506 HydrophobicContact CG1-CZ2 3.97Å; V504-W506 PolarHBondContact O-NE1 3.15Å; V504-R517 HydrophobicContact CG1-CB 3.47Å; V504-R517 VanDerWaalsContact CG1-CB 3.47Å; V504-R517 HydrophobicContact CG1-CG 3.83Å; V504-P520 HydrophobicContact CG2-CG 3.64Å; V504-M547 HydrophobicContact CG2-CE 4.02Å |
| 505 | Y | 79.7 | Confident | 80.4 | Confident | 115 Ų | 115 | 50.3 Ų | 50.3 | 45% | 0.451 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 124.9 | 169.7 | 176.6 | -105.4 | 0 | 0 | 0 | 110.6 | A498 Y500 P507 R517 | A498-Y505 HydrophobicContact CB-CE2 4.34Å; Y500-Y505 HydrophobicContact CD2-CD2 4.36Å; Y505-P507 HydrophobicContact CE1-CB 4.09Å; Y505-R517 PolarHBondContact O-NE 3.4Å |
| 506 | W | 81.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 112 | 177.8 | -60.8 | 95 | 0 | 0 | 0 | 108.7 | A498 T499 S501 V504 V515 R517 A527 W529 Y540 P545 | A498-W506 CarbonylContact C-O 3.47Å; A498-W506 WeakPolarHBondContact CA-O 3.46Å; T499-W506 HydrophobicContact CG2-CB 4.08Å; T499-W506 PolarHBondContact N-O 3.39Å; T499-W506 PolarHBondContact O-N 3.45Å; T499-W506 VanDerWaalsContact O-O 3.09Å; S501-W506 PolarHBondContact O-NE1 3.22Å; V504-W506 HydrophobicContact CB-CZ2 4.24Å; V504-W506 HydrophobicContact CG1-CD2 4.39Å; V504-W506 HydrophobicContact CG1-CZ2 3.97Å; V504-W506 PolarHBondContact O-NE1 3.15Å; W506-V515 HydrophobicContact CE3-CB 4.07Å; W506-V515 HydrophobicContact CE3-CG1 3.78Å; W506-V515 HydrophobicContact CZ3-CB 4.12Å; W506-V515 HydrophobicContact CZ3-CG1 3.99Å; W506-R517 HydrophobicContact CD2-CG 4.43Å; W506-R517 HydrophobicContact CE3-CG 3.89Å; W506-R517 HydrophobicContact CH2-CB 4.41Å; W506-R517 HydrophobicContact CH2-CG 4.33Å; W506-R517 HydrophobicContact CZ3-CB 4.37Å; W506-R517 HydrophobicContact CZ3-CG 3.84Å; W506-A527 HydrophobicContact CH2-CB 3.89Å; W506-A527 HydrophobicContact CZ2-CB 4.06Å; W506-W529 HydrophobicContact CB-CE3 4.03Å; W506-W529 HydrophobicContact CB-CZ3 4.1Å; W506-W529 AromaticContact CD1-CE3 3.72Å; W506-W529 AromaticContact CD1-CZ3 3.63Å; W506-W529 HydrophobicContact CD2-CB 4.21Å; W506-W529 HydrophobicContact CD2-CD2 4.37Å; W506-W529 AromaticContact CD2-CE3 3.47Å; W506-W529 HydrophobicContact CD2-CE3 3.47Å; W506-W529 VanDerWaalsContact CD2-CE3 3.47Å; W506-W529 HydrophobicContact CD2-CZ3 4.18Å; W506-W529 AromaticContact CE2-CE3 3.78Å; W506-W529 HydrophobicContact CE3-CB 3.65Å; W506-W529 AromaticContact CE3-CE3 3.98Å; W506-W529 HydrophobicContact CE3-CE3 3.98Å; W506-W529 AromaticContact CG-CE3 3.45Å; W506-W529 HydrophobicContact CG-CE3 3.45Å; W506-W529 VanDerWaalsContact CG-CE3 3.45Å; W506-W529 AromaticContact CG-CZ3 3.69Å; W506-W529 HydrophobicContact CG-CZ3 3.69Å; W506-W529 HydrophobicContact CH2-CB 3.65Å; W506-W529 HydrophobicContact CZ2-CB 4.2Å; W506-W529 HydrophobicContact CZ3-CB 3.35Å; W506-W529 AromaticContact NE1-CE3 3.91Å; W506-Y540 HydrophobicContact CB-CE2 4.31Å; W506-P545 HydrophobicContact CH2-CB 3.95Å; W506-P545 HydrophobicContact CZ2-CB 3.35Å; W506-P545 HydrophobicContact CZ2-CG 3.87Å |
| 507 | P | 78 | Confident | 80.1 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 25% | 0.247 | 33% | 0.328 | C | S | . | . | trans | -70.2 | 178.3 | -177.6 | 30.9 | -37.2 | 0 | 0 | 0 | 112 | Y505 V515 Y540 | Y505-P507 HydrophobicContact CE1-CB 4.09Å; P507-V515 HydrophobicContact CG-CG1 4.24Å; P507-Y540 PolarHBondContact O-OH 3.27Å | ||
| 508 | E | 81.4 | Confident | 79.7 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 36% | 0.36 | 33% | 0.327 | S | S | . | . | trans | -70.5 | 134 | 169.8 | -169.2 | -178.6 | 166 | 0 | 0 | 110.3 | S495 C496 A498 | S495-E508 WeakPolarHBondContact CB-OE1 3.39Å; S495-E508 PolarHBondContact OG-OE1 3.25Å; C496-E508 VanDerWaalsContact O-CA 3.25Å; C496-E508 WeakPolarHBondContact O-CA 3.07Å; C496-E508 VanDerWaalsContact O-CG 3.27Å; C496-E508 WeakPolarHBondContact O-CG 3.28Å; A498-E508 HydrophobicContact CB-CB 4.49Å | ||
| 509 | A | 76.2 | Confident | 79.8 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S495 C496 S513 V515 C531 Y540 | S495-A509 CarbonylContact C-O 3.44Å; S495-A509 WeakPolarHBondContact CA-O 3.37Å; S495-A509 WeakPolarHBondContact CB-O 3.21Å; C496-A509 PolarHBondContact N-O 2.91Å; C496-A509 PolarHBondContact O-N 2.04Å; C496-A509 VanDerWaalsContact O-N 3.11Å; A509-S513 WeakPolarHBondContact CB-OG 3Å; A509-V515 HydrophobicContact CB-CG2 3.49Å; A509-V515 VanDerWaalsContact CB-CG2 3.49Å; A509-C531 HydrophobicContact CB-CB 4.4Å; A509-C531 PolarHBondContact O-SG 3.31Å; A509-Y540 VanDerWaalsContact CB-OH 3.22Å; A509-Y540 WeakPolarHBondContact CB-OH 3.13Å |
| 510 | P | 82.4 | Confident | 79.8 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 40% | 0.403 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 149.9 | 178.8 | 28.9 | -33.9 | 0 | 0 | 0 | 111.8 | G512 S513 | P510-G512 PolarHBondContact O-N 3.03Å; P510-S513 WeakPolarHBondContact O-CB 2.99Å; P510-S513 PolarHBondContact O-N 2.98Å; P510-S513 VanDerWaalsContact O-N 3.17Å; P510-S513 PolarHBondContact O-OG 3.22Å |
| 511 | V | 82.6 | Confident | 79.2 | Confident | 60 Ų | 60 | 58 Ų | 58 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 136.1 | 174.3 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | Q494 S513 A538 | Q494-V511 HydrophobicContact CB-CG2 4.25Å; Q494-V511 WeakPolarHBondContact O-CG2 3.45Å; Q494-V511 PolarHBondContact O-N 3.49Å; V511-S513 VanDerWaalsContact C-N 3.35Å; V511-A538 HydrophobicContact CG2-CB 3.41Å; V511-A538 VanDerWaalsContact CG2-CB 3.41Å |
| 512 | G | 78.6 | Confident | 78.5 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 54% | 0.536 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -14.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P510 C531 | P510-G512 PolarHBondContact O-N 3.03Å; G512-C531 PolarHBondContact N-O 3.37Å |
| 513 | S | 76.4 | Confident | 78.3 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | trans | -77.3 | 147.9 | 177.8 | 67.4 | 0 | 0 | 0 | 0 | 112.7 | A509 P510 V511 C531 | A509-S513 WeakPolarHBondContact CB-OG 3Å; P510-S513 WeakPolarHBondContact O-CB 2.99Å; P510-S513 PolarHBondContact O-N 2.98Å; P510-S513 VanDerWaalsContact O-N 3.17Å; P510-S513 PolarHBondContact O-OG 3.22Å; V511-S513 VanDerWaalsContact C-N 3.35Å; S513-C531 PolarHBondContact O-N 2.96Å | ||
| 514 | V | 84 | Confident | 77.9 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 47% | 0.473 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.7 | 168.9 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | L528 K530 | V514-L528 HydrophobicContact CG1-CB 4.45Å; V514-K530 HydrophobicContact CG2-CB 4.34Å; V514-K530 HydrophobicContact CG2-CD 4.43Å; V514-K530 HydrophobicContact CG2-CG 4.05Å |
| 515 | V | 75.2 | Confident | 78.1 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 134.1 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | W506 P507 A509 R517 L528 W529 Y540 | W506-V515 HydrophobicContact CE3-CB 4.07Å; W506-V515 HydrophobicContact CE3-CG1 3.78Å; W506-V515 HydrophobicContact CZ3-CB 4.12Å; W506-V515 HydrophobicContact CZ3-CG1 3.99Å; P507-V515 HydrophobicContact CG-CG1 4.24Å; A509-V515 HydrophobicContact CB-CG2 3.49Å; A509-V515 VanDerWaalsContact CB-CG2 3.49Å; V515-R517 HydrophobicContact CG1-CG 4.08Å; V515-L528 WeakPolarHBondContact O-CA 3.47Å; V515-W529 PolarHBondContact N-O 3.3Å; V515-W529 PolarHBondContact O-N 2.91Å; V515-Y540 HydrophobicContact CB-CE1 4.48Å; V515-Y540 HydrophobicContact CG2-CE1 3.97Å; V515-Y540 WeakPolarHBondContact CG2-OH 3.28Å |
| 516 | R | 78 | Confident | 77.9 | Confident | 179 Ų | 179 | 55.6 Ų | 55.6 | 68% | 0.675 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.1 | 175.7 | -51.4 | -163.2 | 161.2 | -131.8 | -1.9 | 109.5 | V526 A527 L528 | R516-V526 HydrophobicContact CB-CG1 4.11Å; R516-A527 WeakPolarHBondContact CA-O 3.34Å; R516-L528 HydrophobicContact CB-CD2 3.98Å; R516-L528 HydrophobicContact CG-CD2 3.48Å; R516-L528 VanDerWaalsContact CG-CD2 3.48Å |
| 517 | R | 78.3 | Confident | 78.1 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146.4 | 178.5 | -64.2 | -64.6 | -73 | 158.6 | 1.5 | 110.3 | V504 Y505 W506 V515 V526 A527 | V504-R517 HydrophobicContact CG1-CB 3.47Å; V504-R517 VanDerWaalsContact CG1-CB 3.47Å; V504-R517 HydrophobicContact CG1-CG 3.83Å; Y505-R517 PolarHBondContact O-NE 3.4Å; W506-R517 HydrophobicContact CD2-CG 4.43Å; W506-R517 HydrophobicContact CE3-CG 3.89Å; W506-R517 HydrophobicContact CH2-CB 4.41Å; W506-R517 HydrophobicContact CH2-CG 4.33Å; W506-R517 HydrophobicContact CZ3-CB 4.37Å; W506-R517 HydrophobicContact CZ3-CG 3.84Å; V515-R517 HydrophobicContact CG1-CG 4.08Å; R517-V526 WeakPolarHBondContact O-CA 3.22Å; R517-V526 WeakPolarHBondContact O-CG1 3.48Å; R517-A527 PolarHBondContact N-O 2.78Å; R517-A527 PolarHBondContact O-N 3.21Å |
| 518 | P | 75.7 | Confident | 78.7 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 57% | 0.571 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 146.4 | 168.4 | 27.8 | -33.7 | 0 | 0 | 0 | 109.6 | ||
| 519 | C | 83 | Confident | 79.1 | Confident | 17 Ų | 17 | 53 Ų | 53 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -65 | 161.3 | 175.6 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | T523 G525 V526 C550 | C519-T523 WeakPolarHBondContact CB-OG1 3.39Å; C519-G525 PolarHBondContact N-O 3.28Å; C519-G525 PolarHBondContact SG-O 3.18Å; C519-G525 VanDerWaalsContact SG-O 3.34Å; C519-V526 PolarHBondContact SG-N 3.23Å; C519-C550 HydrophobicContact CB-CB 3.73Å; C519-C550 WeakPolarHBondContact CB-SG 3.33Å; C519-C550 WeakPolarHBondContact SG-CA 3.46Å; C519-C550 WeakPolarHBondContact SG-CB 3.44Å; C519-C550 CovalentContact SG-SG 2.02Å; C519-C550 PolarHBondContact SG-SG 3.26Å |
| 520 | P | 81.4 | Confident | 79.6 | Confident | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.071 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 160.5 | 179.2 | -27 | 36.8 | 0 | 0 | 0 | 114.1 | R502 N503 V504 G522 T523 M547 Y586 | R502-P520 WeakPolarHBondContact O-CG 3.4Å; N503-P520 HydrophobicContact CB-CB 4.06Å; N503-P520 HydrophobicContact CB-CG 3.98Å; V504-P520 HydrophobicContact CG2-CG 3.64Å; P520-G522 PolarHBondContact O-N 3.46Å; P520-T523 PolarHBondContact O-N 2.81Å; P520-T523 VanDerWaalsContact O-N 3.09Å; P520-T523 PolarHBondContact O-OG1 3.2Å; P520-M547 HydrophobicContact CG-CE 4.21Å; P520-Y586 HydrophobicContact CG-CE1 3.98Å |
| 521 | T | 66.6 | Low | 79.7 | Confident | 146 Ų | 146 | 55 Ų | 55 | 90% | 0.896 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 135.2 | 176.6 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | T523 | T521-T523 VanDerWaalsContact C-N 3.34Š|
| 522 | G | 68.4 | Low | 79.9 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -5.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P520 Q552 I553 | P520-G522 PolarHBondContact O-N 3.46Å; G522-Q552 PolarHBondContact O-OE1 3.22Å; G522-I553 WeakPolarHBondContact O-CG1 3.41Å; G522-I553 WeakPolarHBondContact O-CG2 3.16Å; G522-I553 PolarHBondContact O-N 3.23Å; G522-I553 VanDerWaalsContact O-N 3.16Å |
| 523 | T | 81.1 | Confident | 80.1 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 166.2 | 176.5 | 69 | 0 | 0 | 0 | 0 | 111.5 | C519 P520 T521 S551 Y586 | C519-T523 WeakPolarHBondContact CB-OG1 3.39Å; P520-T523 PolarHBondContact O-N 2.81Å; P520-T523 VanDerWaalsContact O-N 3.09Å; P520-T523 PolarHBondContact O-OG1 3.2Å; T521-T523 VanDerWaalsContact C-N 3.34Å; T523-S551 CarbonylContact C-O 3.44Å; T523-S551 WeakPolarHBondContact CA-O 3.21Å; T523-S551 VanDerWaalsContact CB-O 3.27Å; T523-S551 WeakPolarHBondContact CB-O 3.36Å; T523-Y586 HydrophobicContact CG2-CD2 3.83Å; T523-Y586 HydrophobicContact CG2-CE2 3.61Å |
| 524 | T | 72.9 | Confident | 79.9 | Confident | 60 Ų | 60 | 59 Ų | 59 | 37% | 0.368 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 154.5 | 174.5 | 66.4 | 0 | 0 | 0 | 0 | 110.9 | C550 S551 I553 | T524-C550 WeakPolarHBondContact O-CA 3.13Å; T524-S551 PolarHBondContact N-O 3.45Å; T524-S551 PolarHBondContact O-N 2.85Å; T524-S551 VanDerWaalsContact O-N 3.1Å; T524-I553 HydrophobicContact CG2-CG2 3.5Å |
| 525 | G | 79.7 | Confident | 79.4 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 43% | 0.433 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 111 | -158.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C519 G549 | C519-G525 PolarHBondContact N-O 3.28Å; C519-G525 PolarHBondContact SG-O 3.18Å; C519-G525 VanDerWaalsContact SG-O 3.34Å; G525-G549 WeakPolarHBondContact CA-O 3.47Å |
| 526 | V | 75 | Confident | 79 | Confident | 69 Ų | 69 | 70.4 Ų | 70.4 | 42% | 0.418 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132.2 | -175.8 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | R516 R517 C519 L528 | R516-V526 HydrophobicContact CB-CG1 4.11Å; R517-V526 WeakPolarHBondContact O-CA 3.22Å; R517-V526 WeakPolarHBondContact O-CG1 3.48Å; C519-V526 PolarHBondContact SG-N 3.23Å; V526-L528 HydrophobicContact CG1-CD2 4.16Å |
| 527 | A | 85.7 | Confident | 79 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 145.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | W506 R516 R517 M547 | W506-A527 HydrophobicContact CH2-CB 3.89Å; W506-A527 HydrophobicContact CZ2-CB 4.06Å; R516-A527 WeakPolarHBondContact CA-O 3.34Å; R517-A527 PolarHBondContact N-O 2.78Å; R517-A527 PolarHBondContact O-N 3.21Å; A527-M547 HydrophobicContact CB-CE 3.97Å; A527-M547 HydrophobicContact CB-SD 3.51Å; A527-M547 VanDerWaalsContact CB-SD 3.51Å |
| 528 | L | 89.3 | Confident | 79.1 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.7 | -177.8 | -56.8 | 175.4 | 0 | 0 | 0 | 111.4 | V514 V515 R516 V526 D546 | V514-L528 HydrophobicContact CG1-CB 4.45Å; V515-L528 WeakPolarHBondContact O-CA 3.47Å; R516-L528 HydrophobicContact CB-CD2 3.98Å; R516-L528 HydrophobicContact CG-CD2 3.48Å; R516-L528 VanDerWaalsContact CG-CD2 3.48Å; V526-L528 HydrophobicContact CG1-CD2 4.16Å; L528-D546 HydrophobicContact CB-CB 4.24Å; L528-D546 PolarHBondContact N-O 3.27Å; L528-D546 WeakPolarHBondContact O-CB 3.43Å; L528-D546 PolarHBondContact O-N 3.11Å |
| 529 | W | 90.9 | Very high | 79.6 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 6% | 0.064 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 139.9 | 170.3 | -152 | 12.8 | 0 | 0 | 0 | 111.6 | T499 W506 V515 Y540 P542 E543 P545 | T499-W529 HydrophobicContact CG2-CH2 4.05Å; T499-W529 HydrophobicContact CG2-CZ3 3.59Å; W506-W529 HydrophobicContact CB-CE3 4.03Å; W506-W529 HydrophobicContact CB-CZ3 4.1Å; W506-W529 AromaticContact CD1-CE3 3.72Å; W506-W529 AromaticContact CD1-CZ3 3.63Å; W506-W529 HydrophobicContact CD2-CB 4.21Å; W506-W529 HydrophobicContact CD2-CD2 4.37Å; W506-W529 AromaticContact CD2-CE3 3.47Å; W506-W529 HydrophobicContact CD2-CE3 3.47Å; W506-W529 VanDerWaalsContact CD2-CE3 3.47Å; W506-W529 HydrophobicContact CD2-CZ3 4.18Å; W506-W529 AromaticContact CE2-CE3 3.78Å; W506-W529 HydrophobicContact CE3-CB 3.65Å; W506-W529 AromaticContact CE3-CE3 3.98Å; W506-W529 HydrophobicContact CE3-CE3 3.98Å; W506-W529 AromaticContact CG-CE3 3.45Å; W506-W529 HydrophobicContact CG-CE3 3.45Å; W506-W529 VanDerWaalsContact CG-CE3 3.45Å; W506-W529 AromaticContact CG-CZ3 3.69Å; W506-W529 HydrophobicContact CG-CZ3 3.69Å; W506-W529 HydrophobicContact CH2-CB 3.65Å; W506-W529 HydrophobicContact CZ2-CB 4.2Å; W506-W529 HydrophobicContact CZ3-CB 3.35Å; W506-W529 AromaticContact NE1-CE3 3.91Å; V515-W529 PolarHBondContact N-O 3.3Å; V515-W529 PolarHBondContact O-N 2.91Å; W529-Y540 HydrophobicContact CB-CD1 4.05Å; W529-Y540 HydrophobicContact CB-CE1 4.39Å; W529-Y540 VanDerWaalsContact CD2-CB 3.47Å; W529-Y540 AromaticContact CD2-CD1 3.59Å; W529-Y540 HydrophobicContact CD2-CD1 3.59Å; W529-Y540 HydrophobicContact CD2-CD2 4.5Å; W529-Y540 HydrophobicContact CD2-CE1 4.45Å; W529-Y540 AromaticContact CD2-CG 3.63Å; W529-Y540 HydrophobicContact CD2-CG 3.63Å; W529-Y540 AromaticContact CE3-CD1 3.63Å; W529-Y540 HydrophobicContact CE3-CD1 3.63Å; W529-Y540 AromaticContact CE3-CD2 3.92Å; W529-Y540 HydrophobicContact CE3-CD2 3.92Å; W529-Y540 HydrophobicContact CE3-CE1 4.22Å; W529-Y540 HydrophobicContact CE3-CE2 4.46Å; W529-Y540 AromaticContact CE3-CG 3.47Å; W529-Y540 HydrophobicContact CE3-CG 3.47Å; W529-Y540 VanDerWaalsContact CE3-CG 3.47Å; W529-Y540 AromaticContact CG-CD1 3.71Å; W529-Y540 HydrophobicContact CG-CD1 3.71Å; W529-Y540 HydrophobicContact CG-CE1 4.49Å; W529-Y540 HydrophobicContact CG-CG 4.23Å; W529-Y540 HydrophobicContact CH2-CD2 4.37Å; W529-Y540 HydrophobicContact CH2-CG 4.14Å; W529-Y540 HydrophobicContact CZ2-CG 4.26Å; W529-Y540 HydrophobicContact CZ3-CD1 4.38Å; W529-Y540 AromaticContact CZ3-CD2 3.86Å; W529-Y540 HydrophobicContact CZ3-CD2 3.86Å; W529-Y540 AromaticContact CZ3-CG 3.76Å; W529-Y540 HydrophobicContact CZ3-CG 3.76Å; W529-P542 PolarHBondContact NE1-O 2.94Å; W529-E543 WeakPolarHBondContact CZ2-O 3.33Å; W529-P545 HydrophobicContact CB-CB 4.04Å; W529-P545 HydrophobicContact CD2-CB 3.88Å; W529-P545 HydrophobicContact CE3-CB 4.37Å; W529-P545 HydrophobicContact CG-CB 3.8Å |
| 530 | K | 87.3 | Confident | 79.7 | Confident | 109 Ų | 109 | 69.3 Ų | 69.3 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.5 | -175.7 | -169.7 | 177.8 | -179.3 | -178.5 | 0 | 110.4 | V514 V532 Y540 A541 | V514-K530 HydrophobicContact CG2-CB 4.34Å; V514-K530 HydrophobicContact CG2-CD 4.43Å; V514-K530 HydrophobicContact CG2-CG 4.05Å; K530-V532 HydrophobicContact CB-CG1 4.44Å; K530-V532 HydrophobicContact CD-CG1 3.85Å; K530-V532 HydrophobicContact CG-CG1 3.8Å; K530-Y540 WeakPolarHBondContact O-CA 3.27Å; K530-A541 PolarHBondContact O-N 2.6Å |
| 531 | C | 83.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 122 | 168.5 | 178.7 | 0 | 0 | 0 | 0 | 109 | C496 A509 G512 S513 Y540 | C496-C531 HydrophobicContact CB-CB 3.87Å; C496-C531 WeakPolarHBondContact CB-SG 3.37Å; C496-C531 PolarHBondContact N-SG 2.87Å; C496-C531 VanDerWaalsContact N-SG 3.38Å; C496-C531 WeakPolarHBondContact SG-CA 3.2Å; C496-C531 WeakPolarHBondContact SG-CB 2.93Å; C496-C531 CovalentContact SG-SG 2.02Å; C496-C531 PolarHBondContact SG-SG 3.14Å; A509-C531 HydrophobicContact CB-CB 4.4Å; A509-C531 PolarHBondContact O-SG 3.31Å; G512-C531 PolarHBondContact N-O 3.37Å; S513-C531 PolarHBondContact O-N 2.96Å; C531-Y540 HydrophobicContact CB-CD1 4.34Å; C531-Y540 HydrophobicContact CB-CE1 4.15Å |
| 532 | V | 86.3 | Confident | 80.7 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 158.8 | 179.7 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | K530 A538 R539 A541 | K530-V532 HydrophobicContact CB-CG1 4.44Å; K530-V532 HydrophobicContact CD-CG1 3.85Å; K530-V532 HydrophobicContact CG-CG1 3.8Å; V532-A538 WeakPolarHBondContact O-CA 3.47Å; V532-R539 PolarHBondContact N-O 3.07Å; V532-R539 PolarHBondContact O-N 2.93Å; V532-A541 HydrophobicContact CB-CB 4.49Å; V532-A541 HydrophobicContact CG1-CB 4.41Å; V532-A541 HydrophobicContact CG2-CB 3.31Å |
| 533 | S | 83.2 | Confident | 81.3 | Confident | 66 Ų | 66 | 72.6 Ų | 72.6 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.5 | 167.8 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | ||
| 534 | H | 71.9 | Confident | 81.6 | Confident | 122 Ų | 122 | 73 Ų | 73 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.8 | 175.7 | -174.8 | -94 | 0 | 0 | 0 | 108.9 | K536 K537 | H534-K536 VanDerWaalsContact C-N 3.3Å; H534-K536 PolarHBondContact O-N 3.26Å; H534-K537 PolarHBondContact N-O 2.74Å; H534-K537 PolarHBondContact O-N 3.24Å; H534-K537 VanDerWaalsContact O-N 3.08Å |
| 535 | K | 74.3 | Confident | 82.5 | Confident | 157 Ų | 157 | 70.2 Ų | 70.2 | 68% | 0.683 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 47.3 | -175.5 | -60.4 | -175.9 | 179.6 | -175.2 | 0 | 112.6 | K537 | K535-K537 PolarHBondContact O-N 2.99Š|
| 536 | K | 67 | Low | 83.2 | Confident | 174 Ų | 174 | 69.9 Ų | 69.9 | 76% | 0.757 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 19 | -178.4 | -55.4 | -174.2 | 177.7 | -172.7 | 0 | 115.6 | Q494 H534 | Q494-K536 PolarHBondContact NE2-O 3.03Å; Q494-K536 PolarHBondContact OE1-O 3.03Å; H534-K536 VanDerWaalsContact C-N 3.3Å; H534-K536 PolarHBondContact O-N 3.26Å |
| 537 | K | 76.5 | Confident | 84 | Confident | 162 Ų | 162 | 66.6 Ų | 66.6 | 70% | 0.704 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.1 | 171 | -69.3 | -175.4 | 179.6 | 179.7 | 0 | 110.6 | H534 K535 R539 | H534-K537 PolarHBondContact N-O 2.74Å; H534-K537 PolarHBondContact O-N 3.24Å; H534-K537 VanDerWaalsContact O-N 3.08Å; K535-K537 PolarHBondContact O-N 2.99Å; K537-R539 PolarHBondContact O-N 3.14Å |
| 538 | A | 81.5 | Confident | 84.2 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q494 S495 V511 V532 | Q494-A538 HydrophobicContact CB-CB 3.96Å; S495-A538 VanDerWaalsContact C-CB 3.46Å; S495-A538 WeakPolarHBondContact O-CB 3.41Å; V511-A538 HydrophobicContact CG2-CB 3.41Å; V511-A538 VanDerWaalsContact CG2-CB 3.41Å; V532-A538 WeakPolarHBondContact O-CA 3.47Å |
| 539 | R | 85.2 | Confident | 84 | Confident | 152 Ų | 152 | 67.3 Ų | 67.3 | 57% | 0.574 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 150.1 | 173.2 | -172.1 | -176.2 | 167.1 | 173 | -3.8 | 109.4 | C496 V532 K537 A541 E543 | C496-R539 VanDerWaalsContact SG-CA 3.52Å; C496-R539 PolarHBondContact SG-N 3.37Å; C496-R539 VanDerWaalsContact SG-N 3.39Å; C496-R539 PolarHBondContact SG-O 3.29Å; C496-R539 VanDerWaalsContact SG-O 3.33Å; V532-R539 PolarHBondContact N-O 3.07Å; V532-R539 PolarHBondContact O-N 2.93Å; K537-R539 PolarHBondContact O-N 3.14Å; R539-A541 PolarHBondContact O-N 2.96Å; R539-E543 IonicContact NH2-OE1 3.77Å |
| 540 | Y | 85.2 | Confident | 83.6 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 133.4 | 168 | -76.8 | -72.6 | 0 | 0 | 0 | 111.7 | C496 T499 W506 P507 A509 V515 W529 K530 C531 | C496-Y540 HydrophobicContact CB-CD2 3.73Å; C496-Y540 HydrophobicContact CB-CE1 4.45Å; C496-Y540 HydrophobicContact CB-CE2 3.6Å; C496-Y540 HydrophobicContact CB-CG 4.2Å; C496-Y540 PolarHBondContact SG-N 3.45Å; C496-Y540 VanDerWaalsContact SG-N 3.43Å; T499-Y540 HydrophobicContact CG2-CD2 4.21Å; T499-Y540 HydrophobicContact CG2-CE2 4.48Å; W506-Y540 HydrophobicContact CB-CE2 4.31Å; P507-Y540 PolarHBondContact O-OH 3.27Å; A509-Y540 VanDerWaalsContact CB-OH 3.22Å; A509-Y540 WeakPolarHBondContact CB-OH 3.13Å; V515-Y540 HydrophobicContact CB-CE1 4.48Å; V515-Y540 HydrophobicContact CG2-CE1 3.97Å; V515-Y540 WeakPolarHBondContact CG2-OH 3.28Å; W529-Y540 HydrophobicContact CB-CD1 4.05Å; W529-Y540 HydrophobicContact CB-CE1 4.39Å; W529-Y540 VanDerWaalsContact CD2-CB 3.47Å; W529-Y540 AromaticContact CD2-CD1 3.59Å; W529-Y540 HydrophobicContact CD2-CD1 3.59Å; W529-Y540 HydrophobicContact CD2-CD2 4.5Å; W529-Y540 HydrophobicContact CD2-CE1 4.45Å; W529-Y540 AromaticContact CD2-CG 3.63Å; W529-Y540 HydrophobicContact CD2-CG 3.63Å; W529-Y540 AromaticContact CE3-CD1 3.63Å; W529-Y540 HydrophobicContact CE3-CD1 3.63Å; W529-Y540 AromaticContact CE3-CD2 3.92Å; W529-Y540 HydrophobicContact CE3-CD2 3.92Å; W529-Y540 HydrophobicContact CE3-CE1 4.22Å; W529-Y540 HydrophobicContact CE3-CE2 4.46Å; W529-Y540 AromaticContact CE3-CG 3.47Å; W529-Y540 HydrophobicContact CE3-CG 3.47Å; W529-Y540 VanDerWaalsContact CE3-CG 3.47Å; W529-Y540 AromaticContact CG-CD1 3.71Å; W529-Y540 HydrophobicContact CG-CD1 3.71Å; W529-Y540 HydrophobicContact CG-CE1 4.49Å; W529-Y540 HydrophobicContact CG-CG 4.23Å; W529-Y540 HydrophobicContact CH2-CD2 4.37Å; W529-Y540 HydrophobicContact CH2-CG 4.14Å; W529-Y540 HydrophobicContact CZ2-CG 4.26Å; W529-Y540 HydrophobicContact CZ3-CD1 4.38Å; W529-Y540 AromaticContact CZ3-CD2 3.86Å; W529-Y540 HydrophobicContact CZ3-CD2 3.86Å; W529-Y540 AromaticContact CZ3-CG 3.76Å; W529-Y540 HydrophobicContact CZ3-CG 3.76Å; K530-Y540 WeakPolarHBondContact O-CA 3.27Å; C531-Y540 HydrophobicContact CB-CD1 4.34Å; C531-Y540 HydrophobicContact CB-CE1 4.15Å |
| 541 | A | 83.8 | Confident | 83.7 | Confident | 34 Ų | 34 | 62 Ų | 62 | 28% | 0.281 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K530 V532 R539 | K530-A541 PolarHBondContact O-N 2.6Å; V532-A541 HydrophobicContact CB-CB 4.49Å; V532-A541 HydrophobicContact CG1-CB 4.41Å; V532-A541 HydrophobicContact CG2-CB 3.31Å; R539-A541 PolarHBondContact O-N 2.96Å |
| 542 | P | 85.2 | Confident | 83.9 | Confident | 88 Ų | 88 | 63.3 Ų | 63.3 | 57% | 0.571 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -66.7 | -178.4 | -4.7 | 28.6 | -31.3 | 0 | 0 | 0 | 112.1 | W529 V544 | W529-P542 PolarHBondContact NE1-O 2.94Å; P542-V544 WeakPolarHBondContact CG-O 3.13Å; P542-V544 PolarHBondContact O-N 3.36Å; P542-V544 VanDerWaalsContact O-N 3.08Å |
| 543 | E | 82.2 | Confident | 83.8 | Confident | 145 Ų | 145 | 65.4 Ų | 65.4 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56 | -28.1 | -174.9 | -178.8 | 165 | -140 | 0 | 0 | 113.9 | W529 R539 | W529-E543 WeakPolarHBondContact CZ2-O 3.33Å; R539-E543 IonicContact NH2-OE1 3.77Å |
| 544 | V | 87.8 | Confident | 83.9 | Confident | 28 Ų | 28 | 63.8 Ų | 63.8 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 140.4 | 177.5 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | R502 P542 K647 D648 | R502-V544 HydrophobicContact CG-CG1 3.99Å; P542-V544 WeakPolarHBondContact CG-O 3.13Å; P542-V544 PolarHBondContact O-N 3.36Å; P542-V544 VanDerWaalsContact O-N 3.08Å; V544-K647 HydrophobicContact CG2-CB 4.48Å; V544-D648 WeakPolarHBondContact CG1-OD1 3.34Å |
| 545 | P | 92 | Very high | 84.8 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 156.9 | 175.7 | 27.8 | -36 | 0 | 0 | 0 | 112.7 | S501 R502 W506 W529 M547 | S501-P545 WeakPolarHBondContact OG-CD 3.42Å; R502-P545 HydrophobicContact CB-CG 4.17Å; R502-P545 HydrophobicContact CG-CG 3.88Å; W506-P545 HydrophobicContact CH2-CB 3.95Å; W506-P545 HydrophobicContact CZ2-CB 3.35Å; W506-P545 HydrophobicContact CZ2-CG 3.87Å; W529-P545 HydrophobicContact CB-CB 4.04Å; W529-P545 HydrophobicContact CD2-CB 3.88Å; W529-P545 HydrophobicContact CE3-CB 4.37Å; W529-P545 HydrophobicContact CG-CB 3.8Å; P545-M547 HydrophobicContact CB-SD 4.24Å; P545-M547 HydrophobicContact CG-CG 4.34Å; P545-M547 HydrophobicContact CG-SD 3.95Å; P545-M547 PolarHBondContact O-N 3.21Å |
| 546 | D | 93.2 | Very high | 85.2 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 107 | 172.7 | 175 | 6.4 | 0 | 0 | 0 | 109.6 | L528 S548 D648 | L528-D546 HydrophobicContact CB-CB 4.24Å; L528-D546 PolarHBondContact N-O 3.27Å; L528-D546 WeakPolarHBondContact O-CB 3.43Å; L528-D546 PolarHBondContact O-N 3.11Å; D546-S548 WeakPolarHBondContact OD1-CB 3.49Å; D546-S548 PolarHBondContact OD1-N 2.78Å; D546-S548 PolarHBondContact OD1-OG 2.92Å; D546-D648 WeakPolarHBondContact CA-O 3.46Å |
| 547 | M | 91.9 | Very high | 86 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -107.5 | 18.7 | 176.1 | -45.2 | -68.5 | -71.3 | 0 | 0 | 111.6 | R502 V504 P520 A527 P545 G549 C550 Y586 G588 D648 | R502-M547 HydrophobicContact CB-CE 4.15Å; R502-M547 HydrophobicContact CB-CG 4.32Å; R502-M547 HydrophobicContact CB-SD 4.18Å; R502-M547 HydrophobicContact CG-CG 4.36Å; V504-M547 HydrophobicContact CG2-CE 4.02Å; P520-M547 HydrophobicContact CG-CE 4.21Å; A527-M547 HydrophobicContact CB-CE 3.97Å; A527-M547 HydrophobicContact CB-SD 3.51Å; A527-M547 VanDerWaalsContact CB-SD 3.51Å; P545-M547 HydrophobicContact CB-SD 4.24Å; P545-M547 HydrophobicContact CG-CG 4.34Å; P545-M547 HydrophobicContact CG-SD 3.95Å; P545-M547 PolarHBondContact O-N 3.21Å; M547-G549 PolarHBondContact O-N 3.2Å; M547-G549 VanDerWaalsContact O-N 3.16Å; M547-C550 HydrophobicContact CB-CB 4.3Å; M547-C550 HydrophobicContact CE-CB 4.28Å; M547-C550 PolarHBondContact O-N 3.26Å; M547-Y586 HydrophobicContact CB-CD1 4.36Å; M547-Y586 HydrophobicContact CE-CD1 3.71Å; M547-Y586 HydrophobicContact CE-CE1 3.95Å; M547-Y586 HydrophobicContact CG-CD1 4.36Å; M547-G588 PolarHBondContact O-N 2.74Å; M547-D648 HydrophobicContact CB-CB 3.79Å; M547-D648 WeakPolarHBondContact CB-OD2 3.38Å; M547-D648 HydrophobicContact CG-CB 4.13Å; M547-D648 PolarHBondContact N-O 2.93Å | ||
| 548 | S | 88.9 | Confident | 86.6 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.7 | 178.9 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | D546 G588 L649 | D546-S548 WeakPolarHBondContact OD1-CB 3.49Å; D546-S548 PolarHBondContact OD1-N 2.78Å; D546-S548 PolarHBondContact OD1-OG 2.92Å; S548-G588 WeakPolarHBondContact O-CA 3.22Å; S548-L649 VanDerWaalsContact CB-CD2 3.5Å |
| 549 | G | 85.9 | Confident | 86.9 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 40% | 0.402 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -2.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G525 M547 | G525-G549 WeakPolarHBondContact CA-O 3.47Å; M547-G549 PolarHBondContact O-N 3.2Å; M547-G549 VanDerWaalsContact O-N 3.16Å |
| 550 | C | 83.6 | Confident | 87 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -103.4 | 123.1 | -176.9 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | C519 T524 M547 Y586 G588 D589 | C519-C550 HydrophobicContact CB-CB 3.73Å; C519-C550 WeakPolarHBondContact CB-SG 3.33Å; C519-C550 WeakPolarHBondContact SG-CA 3.46Å; C519-C550 WeakPolarHBondContact SG-CB 3.44Å; C519-C550 CovalentContact SG-SG 2.02Å; C519-C550 PolarHBondContact SG-SG 3.26Å; T524-C550 WeakPolarHBondContact O-CA 3.13Å; M547-C550 HydrophobicContact CB-CB 4.3Å; M547-C550 HydrophobicContact CE-CB 4.28Å; M547-C550 PolarHBondContact O-N 3.26Å; C550-Y586 HydrophobicContact CB-CG 4.45Å; C550-G588 CarbonylContact O-C 3.47Å; C550-G588 WeakPolarHBondContact O-CA 3.25Å; C550-G588 PolarHBondContact O-N 2.97Å; C550-G588 VanDerWaalsContact O-N 3.16Å; C550-D589 PolarHBondContact O-N 2.98Å | ||
| 551 | S | 89 | Confident | 87.2 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152 | 175.6 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | T523 T524 D589 | T523-S551 CarbonylContact C-O 3.44Å; T523-S551 WeakPolarHBondContact CA-O 3.21Å; T523-S551 VanDerWaalsContact CB-O 3.27Å; T523-S551 WeakPolarHBondContact CB-O 3.36Å; T524-S551 PolarHBondContact N-O 3.45Å; T524-S551 PolarHBondContact O-N 2.85Å; T524-S551 VanDerWaalsContact O-N 3.1Å; S551-D589 WeakPolarHBondContact CA-OD1 3.49Å; S551-D589 WeakPolarHBondContact CB-OD1 3.47Å |
| 552 | Q | 87.5 | Confident | 87.5 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 12% | 0.121 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 141.3 | 176.7 | -65.9 | -65.8 | -14.8 | 0 | 0 | 111.8 | G522 W554 F555 T582 N584 D589 | G522-Q552 PolarHBondContact O-OE1 3.22Å; Q552-W554 HydrophobicContact CB-CD2 4.07Å; Q552-W554 HydrophobicContact CB-CG 4.08Å; Q552-W554 HydrophobicContact CB-CZ2 4.11Å; Q552-W554 VanDerWaalsContact CB-NE1 3.32Å; Q552-W554 HydrophobicContact CG-CZ2 4.2Å; Q552-W554 PolarHBondContact O-N 2.91Å; Q552-F555 HydrophobicContact CB-CD2 4.1Å; Q552-F555 HydrophobicContact CB-CE2 4.4Å; Q552-F555 PolarHBondContact O-N 3.36Å; Q552-T582 HydrophobicContact CG-CG2 4.1Å; Q552-N584 PolarHBondContact NE2-O 2.99Å; Q552-D589 WeakPolarHBondContact CG-OD1 3.47Å; Q552-D589 PolarHBondContact N-OD1 2.96Å |
| 553 | I | 83.2 | Confident | 87.8 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 41% | 0.405 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -27.7 | 179.6 | 58.1 | 173.8 | 0 | 0 | 0 | 112.6 | G522 T524 F555 N556 | G522-I553 WeakPolarHBondContact O-CG1 3.41Å; G522-I553 WeakPolarHBondContact O-CG2 3.16Å; G522-I553 PolarHBondContact O-N 3.23Å; G522-I553 VanDerWaalsContact O-N 3.16Å; T524-I553 HydrophobicContact CG2-CG2 3.5Å; I553-F555 PolarHBondContact O-N 3.5Å; I553-N556 WeakPolarHBondContact O-CB 3.48Å; I553-N556 PolarHBondContact O-N 2.65Å; I553-N556 PolarHBondContact O-ND2 3.33Å |
| 554 | W | 86.4 | Confident | 88.2 | Confident | 32 Ų | 32 | 44.8 Ų | 44.8 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17.9 | -175.4 | 58.8 | -114.2 | 0 | 0 | 0 | 113.3 | Q552 N556 H557 I558 L575 N578 I579 T582 | Q552-W554 HydrophobicContact CB-CD2 4.07Å; Q552-W554 HydrophobicContact CB-CG 4.08Å; Q552-W554 HydrophobicContact CB-CZ2 4.11Å; Q552-W554 VanDerWaalsContact CB-NE1 3.32Å; Q552-W554 HydrophobicContact CG-CZ2 4.2Å; Q552-W554 PolarHBondContact O-N 2.91Å; W554-N556 PolarHBondContact O-N 3.27Å; W554-H557 WeakPolarHBondContact O-CB 3.38Å; W554-H557 PolarHBondContact O-N 3.32Å; W554-I558 HydrophobicContact CE3-CD1 3.56Å; W554-I558 HydrophobicContact CE3-CG1 4.29Å; W554-I558 HydrophobicContact CZ3-CD1 3.51Å; W554-I558 PolarHBondContact O-N 3.45Å; W554-L575 HydrophobicContact CH2-CD1 4.08Å; W554-L575 HydrophobicContact CZ3-CD1 3.7Å; W554-N578 HydrophobicContact CD2-CB 4.08Å; W554-N578 HydrophobicContact CE3-CB 4.04Å; W554-N578 HydrophobicContact CH2-CB 4.1Å; W554-N578 HydrophobicContact CZ2-CB 4.08Å; W554-N578 HydrophobicContact CZ3-CB 4.08Å; W554-I579 HydrophobicContact CH2-CG1 3.84Å; W554-I579 HydrophobicContact CZ2-CG1 4.39Å; W554-T582 PolarHBondContact NE1-OG1 2.88Å |
| 555 | F | 89.8 | Confident | 88.4 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.3 | -29.8 | 169.4 | -83.8 | -70.2 | 0 | 0 | 0 | 112.1 | Q552 I553 H557 K559 L575 D589 Q592 A593 | Q552-F555 HydrophobicContact CB-CD2 4.1Å; Q552-F555 HydrophobicContact CB-CE2 4.4Å; Q552-F555 PolarHBondContact O-N 3.36Å; I553-F555 PolarHBondContact O-N 3.5Å; F555-H557 VanDerWaalsContact C-N 3.33Å; F555-K559 VanDerWaalsContact O-CB 3.27Å; F555-K559 WeakPolarHBondContact O-CB 3.35Å; F555-K559 PolarHBondContact O-N 2.93Å; F555-L575 HydrophobicContact CE1-CD1 3.94Å; F555-D589 HydrophobicContact CE2-CB 3.96Å; F555-D589 WeakPolarHBondContact CE2-OD1 3.41Å; F555-D589 HydrophobicContact CZ-CB 4.47Å; F555-D589 WeakPolarHBondContact CZ-O 3.41Å; F555-Q592 HydrophobicContact CD1-CB 3.71Å; F555-Q592 HydrophobicContact CD2-CB 3.84Å; F555-Q592 HydrophobicContact CD2-CG 4.35Å; F555-Q592 HydrophobicContact CE1-CB 3.69Å; F555-Q592 HydrophobicContact CE2-CB 3.82Å; F555-Q592 HydrophobicContact CG-CB 3.79Å; F555-Q592 HydrophobicContact CG-CG 4.37Å; F555-Q592 HydrophobicContact CZ-CB 3.74Å; F555-A593 HydrophobicContact CE1-CB 4.26Å; F555-A593 HydrophobicContact CZ-CB 4.08Å |
| 556 | N | 83.3 | Confident | 88.4 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.2 | -33.1 | 174.9 | -63.4 | -46.8 | 0 | 0 | 0 | 112.3 | I553 W554 N560 | I553-N556 WeakPolarHBondContact O-CB 3.48Å; I553-N556 PolarHBondContact O-N 2.65Å; I553-N556 PolarHBondContact O-ND2 3.33Å; W554-N556 PolarHBondContact O-N 3.27Å; N556-N560 PolarHBondContact O-N 3.27Å; N556-N560 VanDerWaalsContact O-N 3.1Å; N556-N560 PolarHBondContact O-ND2 3.2Å; N556-N560 PolarHBondContact O-OD1 3.32Å |
| 557 | H | 84.6 | Confident | 88.4 | Confident | 105 Ų | 105 | 55.1 Ų | 55.1 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.4 | -48.9 | 175.9 | -63.7 | -57.1 | 0 | 0 | 0 | 110.5 | W554 F555 K559 N560 E561 | W554-H557 WeakPolarHBondContact O-CB 3.38Å; W554-H557 PolarHBondContact O-N 3.32Å; F555-H557 VanDerWaalsContact C-N 3.33Å; H557-K559 VanDerWaalsContact C-N 3.29Å; H557-K559 PolarHBondContact O-N 3.11Å; H557-N560 WeakPolarHBondContact O-CB 3.42Å; H557-N560 PolarHBondContact O-N 2.57Å; H557-E561 PolarHBondContact O-N 3.45Å; H557-E561 VanDerWaalsContact O-N 3.07Å |
| 558 | I | 88.1 | Confident | 88.5 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -40.2 | 177 | -63.8 | -178 | 0 | 0 | 0 | 111.3 | W554 N560 E561 I562 I571 L575 T596 | W554-I558 HydrophobicContact CE3-CD1 3.56Å; W554-I558 HydrophobicContact CE3-CG1 4.29Å; W554-I558 HydrophobicContact CZ3-CD1 3.51Å; W554-I558 PolarHBondContact O-N 3.45Å; I558-N560 VanDerWaalsContact C-N 3.3Å; I558-N560 PolarHBondContact O-N 3.08Å; I558-E561 PolarHBondContact O-N 3.37Å; I558-I562 HydrophobicContact CG2-CD1 4.1Å; I558-I562 WeakPolarHBondContact O-CG1 3.48Å; I558-I562 PolarHBondContact O-N 3.15Å; I558-I571 HydrophobicContact CG2-CG2 3.62Å; I558-L575 HydrophobicContact CD1-CB 3.92Å; I558-L575 HydrophobicContact CD1-CD1 3.49Å; I558-L575 VanDerWaalsContact CD1-CD1 3.49Å; I558-L575 HydrophobicContact CD1-CG 4.29Å; I558-T596 HydrophobicContact CG2-CG2 3.52Å |
| 559 | K | 88.3 | Confident | 88.6 | Confident | 116 Ų | 116 | 56.4 Ų | 56.4 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 174.7 | -179.4 | 175.9 | 173.7 | 178.6 | 0 | 112 | F555 H557 I562 D563 | F555-K559 VanDerWaalsContact O-CB 3.27Å; F555-K559 WeakPolarHBondContact O-CB 3.35Å; F555-K559 PolarHBondContact O-N 2.93Å; H557-K559 VanDerWaalsContact C-N 3.29Å; H557-K559 PolarHBondContact O-N 3.11Å; K559-I562 PolarHBondContact O-N 3.32Å; K559-D563 WeakPolarHBondContact O-CB 3.47Å; K559-D563 VanDerWaalsContact O-CG 3.31Å; K559-D563 PolarHBondContact O-N 3.44Å |
| 560 | N | 86.3 | Confident | 89 | Confident | 92 Ų | 92 | 59.3 Ų | 59.3 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 177.7 | -67.4 | -16.9 | 0 | 0 | 0 | 112.2 | N556 H557 I558 I562 D563 S564 | N556-N560 PolarHBondContact O-N 3.27Å; N556-N560 VanDerWaalsContact O-N 3.1Å; N556-N560 PolarHBondContact O-ND2 3.2Å; N556-N560 PolarHBondContact O-OD1 3.32Å; H557-N560 WeakPolarHBondContact O-CB 3.42Å; H557-N560 PolarHBondContact O-N 2.57Å; I558-N560 VanDerWaalsContact C-N 3.3Å; I558-N560 PolarHBondContact O-N 3.08Å; N560-I562 VanDerWaalsContact C-N 3.31Å; N560-D563 PolarHBondContact O-N 3.23Å; N560-S564 WeakPolarHBondContact O-CB 3.43Å; N560-S564 PolarHBondContact O-N 3.11Å; N560-S564 PolarHBondContact O-OG 3.15Å |
| 561 | E | 90.8 | Very high | 89.6 | Confident | 65 Ų | 65 | 59.6 Ų | 59.6 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 174.6 | -65.4 | 173.6 | 149.5 | 0 | 0 | 111.7 | H557 I558 S564 K565 D566 I571 | H557-E561 PolarHBondContact O-N 3.45Å; H557-E561 VanDerWaalsContact O-N 3.07Å; I558-E561 PolarHBondContact O-N 3.37Å; E561-S564 WeakPolarHBondContact CA-OG 2.96Å; E561-S564 PolarHBondContact O-OG 3.32Å; E561-K565 PolarHBondContact O-N 2.76Å; E561-D566 HydrophobicContact CB-CB 4.46Å; E561-D566 WeakPolarHBondContact O-CB 3.49Å; E561-D566 PolarHBondContact O-N 3.22Å; E561-I571 HydrophobicContact CB-CD1 3.91Å; E561-I571 HydrophobicContact CB-CG1 4.03Å; E561-I571 HydrophobicContact CB-CG2 4.49Å |
| 562 | I | 90.5 | Very high | 90 | Very high | 19 Ų | 19 | 58.9 Ų | 58.9 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 173.4 | -66 | 168.4 | 0 | 0 | 0 | 110.6 | I558 K559 N560 S564 K565 I571 T596 N599 L600 L603 | I558-I562 HydrophobicContact CG2-CD1 4.1Å; I558-I562 WeakPolarHBondContact O-CG1 3.48Å; I558-I562 PolarHBondContact O-N 3.15Å; K559-I562 PolarHBondContact O-N 3.32Å; N560-I562 VanDerWaalsContact C-N 3.31Å; I562-S564 VanDerWaalsContact C-N 3.3Å; I562-S564 PolarHBondContact O-N 3.34Å; I562-K565 WeakPolarHBondContact O-CA 3.47Å; I562-K565 PolarHBondContact O-N 2.94Å; I562-I571 HydrophobicContact CG1-CD1 4.05Å; I562-I571 HydrophobicContact CG1-CG2 4.22Å; I562-T596 HydrophobicContact CD1-CG2 3.69Å; I562-N599 HydrophobicContact CD1-CB 4.44Å; I562-N599 HydrophobicContact CG2-CB 4.38Å; I562-L600 HydrophobicContact CD1-CD1 4.48Å; I562-L600 HydrophobicContact CD1-CD2 3.86Å; I562-L600 HydrophobicContact CD1-CG 3.75Å; I562-L600 HydrophobicContact CG1-CD2 3.62Å; I562-L600 HydrophobicContact CG1-CG 4.11Å; I562-L603 HydrophobicContact CG2-CD2 4.29Å |
| 563 | D | 91.2 | Very high | 90.3 | Very high | 109 Ų | 109 | 61.2 Ų | 61.2 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.8 | -32.3 | -179.4 | -72.7 | -22.1 | 0 | 0 | 0 | 111.7 | K559 N560 K565 | K559-D563 WeakPolarHBondContact O-CB 3.47Å; K559-D563 VanDerWaalsContact O-CG 3.31Å; K559-D563 PolarHBondContact O-N 3.44Å; N560-D563 PolarHBondContact O-N 3.23Å; D563-K565 PolarHBondContact O-N 3.46Å |
| 564 | S | 90.4 | Very high | 90.7 | Very high | 69 Ų | 69 | 58.9 Ų | 58.9 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -5.9 | 171.8 | 62 | 0 | 0 | 0 | 0 | 113.9 | N560 E561 I562 D566 | N560-S564 WeakPolarHBondContact O-CB 3.43Å; N560-S564 PolarHBondContact O-N 3.11Å; N560-S564 PolarHBondContact O-OG 3.15Å; E561-S564 WeakPolarHBondContact CA-OG 2.96Å; E561-S564 PolarHBondContact O-OG 3.32Å; I562-S564 VanDerWaalsContact C-N 3.3Å; I562-S564 PolarHBondContact O-N 3.34Å; S564-D566 VanDerWaalsContact C-N 3.32Å; S564-D566 PolarHBondContact OG-OD1 2.78Å; S564-D566 PolarHBondContact OG-OD2 2.91Å |
| 565 | K | 91.4 | Very high | 91.2 | Very high | 149 Ų | 149 | 57.3 Ų | 57.3 | 65% | 0.648 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 37.1 | -177.1 | -54.8 | -175.3 | 176.7 | -171.3 | 0 | 113.3 | E561 I562 D563 L603 Q607 | E561-K565 PolarHBondContact O-N 2.76Å; I562-K565 WeakPolarHBondContact O-CA 3.47Å; I562-K565 PolarHBondContact O-N 2.94Å; D563-K565 PolarHBondContact O-N 3.46Å; K565-L603 HydrophobicContact CB-CD1 4.03Å; K565-L603 HydrophobicContact CG-CD1 4.12Å; K565-Q607 PolarHBondContact O-NE2 3.02Å |
| 566 | D | 93.2 | Very high | 91.4 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | trans | -61.4 | 160.6 | 172.9 | -64.5 | -2.5 | 0 | 0 | 0 | 110.1 | E561 S564 A568 I571 Q607 | E561-D566 HydrophobicContact CB-CB 4.46Å; E561-D566 WeakPolarHBondContact O-CB 3.49Å; E561-D566 PolarHBondContact O-N 3.22Å; S564-D566 VanDerWaalsContact C-N 3.32Å; S564-D566 PolarHBondContact OG-OD1 2.78Å; S564-D566 PolarHBondContact OG-OD2 2.91Å; D566-A568 PolarHBondContact O-N 2.86Å; D566-A568 VanDerWaalsContact O-N 3.07Å; D566-I571 HydrophobicContact CB-CD1 4.01Å; D566-I571 HydrophobicContact CB-CG1 4.34Å; D566-Q607 PolarHBondContact O-NE2 3.03Å | ||
| 567 | P | 92.5 | Very high | 91.8 | Very high | 67 Ų | 67 | 59 Ų | 59 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | trans | -55.2 | 117.4 | -177.3 | -25.8 | 35.3 | 0 | 0 | 0 | 112 | M569 D570 I571 | P567-M569 PolarHBondContact O-N 3.03Å; P567-M569 VanDerWaalsContact O-N 3.15Å; P567-D570 PolarHBondContact O-N 3.33Å; P567-I571 WeakPolarHBondContact O-CG1 3.09Å; P567-I571 PolarHBondContact O-N 3.09Å | ||
| 568 | A | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -26.7 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | D566 D570 I571 V572 L600 L603 E604 F626 | D566-A568 PolarHBondContact O-N 2.86Å; D566-A568 VanDerWaalsContact O-N 3.07Å; A568-D570 VanDerWaalsContact C-N 3.35Å; A568-D570 PolarHBondContact O-N 3.06Å; A568-I571 PolarHBondContact O-N 2.03Å; A568-V572 WeakPolarHBondContact O-CB 3.43Å; A568-V572 WeakPolarHBondContact O-CG1 3.34Å; A568-V572 PolarHBondContact O-N 3.25Å; A568-L600 HydrophobicContact CB-CD2 4.17Å; A568-L603 HydrophobicContact CB-CB 4.27Å; A568-L603 HydrophobicContact CB-CD2 4.04Å; A568-L603 HydrophobicContact CB-CG 4.01Å; A568-E604 HydrophobicContact CB-CB 3.89Å; A568-E604 WeakPolarHBondContact CB-OE2 3.32Å; A568-F626 HydrophobicContact CB-CE2 4.34Å |
| 569 | M | 91.4 | Very high | 92.4 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 22% | 0.222 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -35.3 | 171.5 | -69.9 | -170.7 | -71.1 | 0 | 0 | 114.2 | P567 V572 Q573 N622 F625 | P567-M569 PolarHBondContact O-N 3.03Å; P567-M569 VanDerWaalsContact O-N 3.15Å; M569-V572 WeakPolarHBondContact O-CG1 3.48Å; M569-Q573 WeakPolarHBondContact O-CG 2.99Å; M569-Q573 PolarHBondContact O-N 2.68Å; M569-Q573 PolarHBondContact O-NE2 3.05Å; M569-N622 HydrophobicContact CE-CB 4.22Å; M569-N622 HydrophobicContact SD-CB 3.78Å; M569-F625 HydrophobicContact CG-CD1 4.43Å; M569-F625 HydrophobicContact SD-CD1 4.16Å |
| 570 | D | 93.1 | Very high | 92.4 | Very high | 101 Ų | 101 | 55.8 Ų | 55.8 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -76 | -41.3 | 178.4 | -66.1 | -22.3 | 0 | 0 | 0 | 109.7 | P567 A568 Q573 S574 | P567-D570 PolarHBondContact O-N 3.33Å; A568-D570 VanDerWaalsContact C-N 3.35Å; A568-D570 PolarHBondContact O-N 3.06Å; D570-Q573 PolarHBondContact O-N 2.95Å; D570-S574 WeakPolarHBondContact O-CB 3.34Å; D570-S574 PolarHBondContact O-N 2.94Å |
| 571 | I | 96.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 179.4 | -50.3 | 170 | 0 | 0 | 0 | 111.2 | I558 E561 I562 D566 P567 A568 Q573 S574 L575 L600 L603 | I558-I571 HydrophobicContact CG2-CG2 3.62Å; E561-I571 HydrophobicContact CB-CD1 3.91Å; E561-I571 HydrophobicContact CB-CG1 4.03Å; E561-I571 HydrophobicContact CB-CG2 4.49Å; I562-I571 HydrophobicContact CG1-CD1 4.05Å; I562-I571 HydrophobicContact CG1-CG2 4.22Å; D566-I571 HydrophobicContact CB-CD1 4.01Å; D566-I571 HydrophobicContact CB-CG1 4.34Å; P567-I571 WeakPolarHBondContact O-CG1 3.09Å; P567-I571 PolarHBondContact O-N 3.09Å; A568-I571 PolarHBondContact O-N 2.03Å; I571-Q573 VanDerWaalsContact C-N 3.32Å; I571-Q573 PolarHBondContact O-N 2.81Å; I571-S574 PolarHBondContact O-N 3.38Å; I571-L575 WeakPolarHBondContact O-CB 3.41Å; I571-L575 PolarHBondContact O-N 2.81Å; I571-L600 HydrophobicContact CB-CD2 3.63Å; I571-L600 HydrophobicContact CD1-CD2 3.93Å; I571-L600 HydrophobicContact CG1-CD2 4.4Å; I571-L600 HydrophobicContact CG2-CD1 4.12Å; I571-L600 HydrophobicContact CG2-CD2 3.64Å; I571-L600 HydrophobicContact CG2-CG 4.43Å; I571-L603 HydrophobicContact CD1-CD2 4.18Å |
| 572 | V | 97.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -35.4 | 179.4 | 73 | 0 | 0 | 0 | 0 | 112 | A568 M569 G576 L600 F626 N629 A630 I633 | A568-V572 WeakPolarHBondContact O-CB 3.43Å; A568-V572 WeakPolarHBondContact O-CG1 3.34Å; A568-V572 PolarHBondContact O-N 3.25Å; M569-V572 WeakPolarHBondContact O-CG1 3.48Å; V572-G576 PolarHBondContact O-N 3.29Å; V572-G576 VanDerWaalsContact O-N 3.07Å; V572-L600 HydrophobicContact CB-CD1 4.17Å; V572-L600 HydrophobicContact CG2-CD1 4.47Å; V572-F626 HydrophobicContact CB-CD2 4.36Å; V572-F626 HydrophobicContact CB-CE2 4.07Å; V572-F626 HydrophobicContact CG1-CD2 4.02Å; V572-F626 HydrophobicContact CG1-CE2 4.24Å; V572-F626 HydrophobicContact CG2-CE2 4.3Å; V572-N629 HydrophobicContact CG1-CB 3.85Å; V572-N629 HydrophobicContact CG2-CB 3.99Å; V572-A630 HydrophobicContact CG2-CB 4.43Å; V572-I633 HydrophobicContact CG2-CD1 3.72Å |
| 573 | Q | 94.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 36% | 0.355 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.5 | -45.5 | 173.8 | -74 | 174.5 | 80.5 | 0 | 0 | 111.5 | M569 D570 I571 L575 G576 M577 F625 | M569-Q573 WeakPolarHBondContact O-CG 2.99Å; M569-Q573 PolarHBondContact O-N 2.68Å; M569-Q573 PolarHBondContact O-NE2 3.05Å; D570-Q573 PolarHBondContact O-N 2.95Å; I571-Q573 VanDerWaalsContact C-N 3.32Å; I571-Q573 PolarHBondContact O-N 2.81Å; Q573-L575 VanDerWaalsContact C-N 3.3Å; Q573-L575 PolarHBondContact O-N 2.96Å; Q573-G576 PolarHBondContact O-N 2.73Å; Q573-M577 WeakPolarHBondContact O-CG 3.06Å; Q573-M577 PolarHBondContact O-N 2.77Å; Q573-F625 HydrophobicContact CG-CE1 4.31Å; Q573-F625 HydrophobicContact CG-CZ 4.38Å |
| 574 | S | 92.4 | Very high | 91.3 | Very high | 29 Ų | 29 | 64 Ų | 64 | 20% | 0.203 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.3 | -43.8 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | D570 I571 M577 N578 | D570-S574 WeakPolarHBondContact O-CB 3.34Å; D570-S574 PolarHBondContact O-N 2.94Å; I571-S574 PolarHBondContact O-N 3.38Å; S574-M577 PolarHBondContact O-N 3.15Å; S574-N578 WeakPolarHBondContact O-CB 2.9Å; S574-N578 PolarHBondContact O-N 3.32Å; S574-N578 PolarHBondContact O-ND2 3.45Å |
| 575 | L | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 175.8 | 177.9 | 59.9 | 0 | 0 | 0 | 111.8 | W554 F555 I558 I571 Q573 N578 I579 T596 V597 L600 I633 | W554-L575 HydrophobicContact CH2-CD1 4.08Å; W554-L575 HydrophobicContact CZ3-CD1 3.7Å; F555-L575 HydrophobicContact CE1-CD1 3.94Å; I558-L575 HydrophobicContact CD1-CB 3.92Å; I558-L575 HydrophobicContact CD1-CD1 3.49Å; I558-L575 VanDerWaalsContact CD1-CD1 3.49Å; I558-L575 HydrophobicContact CD1-CG 4.29Å; I571-L575 WeakPolarHBondContact O-CB 3.41Å; I571-L575 PolarHBondContact O-N 2.81Å; Q573-L575 VanDerWaalsContact C-N 3.3Å; Q573-L575 PolarHBondContact O-N 2.96Å; L575-N578 PolarHBondContact O-N 3.25Å; L575-I579 HydrophobicContact CD1-CD1 3.92Å; L575-I579 HydrophobicContact CD1-CG1 4.31Å; L575-I579 HydrophobicContact CG-CD1 4.08Å; L575-I579 WeakPolarHBondContact O-CG1 3.39Å; L575-I579 PolarHBondContact O-N 3.11Å; L575-T596 HydrophobicContact CD1-CG2 4.45Å; L575-T596 HydrophobicContact CD2-CG2 3.75Å; L575-V597 HydrophobicContact CD2-CG2 3.66Å; L575-L600 HydrophobicContact CD2-CD1 3.95Å; L575-I633 HydrophobicContact CB-CD1 4.27Å; L575-I633 HydrophobicContact CD2-CD1 3.92Å; L575-I633 HydrophobicContact CG-CD1 3.98Å |
| 576 | G | 93.9 | Very high | 91.5 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -49.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V572 Q573 N578 I579 D580 | V572-G576 PolarHBondContact O-N 3.29Å; V572-G576 VanDerWaalsContact O-N 3.07Å; Q573-G576 PolarHBondContact O-N 2.73Å; G576-N578 PolarHBondContact O-N 2.06Å; G576-I579 PolarHBondContact O-N 3.11Å; G576-D580 PolarHBondContact O-N 3.24Å |
| 577 | M | 92.4 | Very high | 91.4 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 54% | 0.542 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 177.6 | -68.3 | -169.6 | -54.1 | 0 | 0 | 112.4 | Q573 S574 I579 D580 E581 | Q573-M577 WeakPolarHBondContact O-CG 3.06Å; Q573-M577 PolarHBondContact O-N 2.77Å; S574-M577 PolarHBondContact O-N 3.15Å; M577-I579 VanDerWaalsContact C-N 3.31Å; M577-I579 PolarHBondContact O-N 2.76Å; M577-D580 PolarHBondContact O-N 2.96Å; M577-D580 VanDerWaalsContact O-N 3.14Å; M577-E581 WeakPolarHBondContact O-CG 3.38Å; M577-E581 PolarHBondContact O-N 3.38Å |
| 578 | N | 92.3 | Very high | 91.4 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -37.9 | 179 | -76.5 | -30.1 | 0 | 0 | 0 | 112.3 | W554 S574 L575 G576 T582 | W554-N578 HydrophobicContact CD2-CB 4.08Å; W554-N578 HydrophobicContact CE3-CB 4.04Å; W554-N578 HydrophobicContact CH2-CB 4.1Å; W554-N578 HydrophobicContact CZ2-CB 4.08Å; W554-N578 HydrophobicContact CZ3-CB 4.08Å; S574-N578 WeakPolarHBondContact O-CB 2.9Å; S574-N578 PolarHBondContact O-N 3.32Å; S574-N578 PolarHBondContact O-ND2 3.45Å; L575-N578 PolarHBondContact O-N 3.25Å; G576-N578 PolarHBondContact O-N 2.06Å; N578-T582 VanDerWaalsContact O-CB 3.3Å; N578-T582 WeakPolarHBondContact O-CB 3.27Å; N578-T582 PolarHBondContact O-N 2.02Å; N578-T582 PolarHBondContact O-OG1 2.68Å |
| 579 | I | 93.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.1 | -41.3 | 174.5 | -70.1 | 170.8 | 0 | 0 | 0 | 110.6 | W554 L575 G576 M577 L585 A593 I633 K636 L637 | W554-I579 HydrophobicContact CH2-CG1 3.84Å; W554-I579 HydrophobicContact CZ2-CG1 4.39Å; L575-I579 HydrophobicContact CD1-CD1 3.92Å; L575-I579 HydrophobicContact CD1-CG1 4.31Å; L575-I579 HydrophobicContact CG-CD1 4.08Å; L575-I579 WeakPolarHBondContact O-CG1 3.39Å; L575-I579 PolarHBondContact O-N 3.11Å; G576-I579 PolarHBondContact O-N 3.11Å; M577-I579 VanDerWaalsContact C-N 3.31Å; M577-I579 PolarHBondContact O-N 2.76Å; I579-L585 HydrophobicContact CG2-CD1 4.07Å; I579-A593 HydrophobicContact CD1-CB 4Å; I579-I633 HydrophobicContact CD1-CG2 3.68Å; I579-K636 HydrophobicContact CG2-CG 4.33Å; I579-L637 HydrophobicContact CG2-CD2 4.48Å |
| 580 | D | 89.1 | Confident | 91.6 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 55% | 0.551 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -70 | -38.8 | -179.5 | -80.5 | -23.4 | 0 | 0 | 0 | 113.4 | G576 M577 K636 | G576-D580 PolarHBondContact O-N 3.24Å; M577-D580 PolarHBondContact O-N 2.96Å; M577-D580 VanDerWaalsContact O-N 3.14Å; D580-K636 VanDerWaalsContact OD1-CE 3.31Å; D580-K636 WeakPolarHBondContact OD1-CE 3.24Å |
| 581 | E | 86.9 | Confident | 91.6 | Very high | 153 Ų | 153 | 44.9 Ų | 44.9 | 72% | 0.715 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -80.1 | -18.5 | -179.2 | -68 | -174.4 | 172.2 | 0 | 0 | 113.2 | M577 K583 | M577-E581 WeakPolarHBondContact O-CG 3.38Å; M577-E581 PolarHBondContact O-N 3.38Å; E581-K583 PolarHBondContact O-N 2.84Å; E581-K583 VanDerWaalsContact O-N 3.14Å |
| 582 | T | 85.8 | Confident | 91.5 | Very high | 29 Ų | 29 | 48 Ų | 48 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | trans | -74.1 | 106.8 | -179.1 | -65.7 | 0 | 0 | 0 | 0 | 111 | Q552 W554 N578 N584 L585 | Q552-T582 HydrophobicContact CG-CG2 4.1Å; W554-T582 PolarHBondContact NE1-OG1 2.88Å; N578-T582 VanDerWaalsContact O-CB 3.3Å; N578-T582 WeakPolarHBondContact O-CB 3.27Å; N578-T582 PolarHBondContact O-N 2.02Å; N578-T582 PolarHBondContact O-OG1 2.68Å; T582-N584 VanDerWaalsContact C-N 3.31Å; T582-N584 WeakPolarHBondContact CG2-O 3.49Å; T582-N584 PolarHBondContact O-N 3.43Å; T582-L585 HydrophobicContact CG2-CD2 3.73Å; T582-L585 HydrophobicContact CG2-CG 4.13Å | ||
| 583 | K | 78.9 | Confident | 91.5 | Very high | 200 Ų | 200 | 48 Ų | 48 | 87% | 0.87 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -57 | -37.2 | 179.3 | -69.6 | -177.1 | 178.9 | 179.2 | 0 | 114.8 | E581 | E581-K583 PolarHBondContact O-N 2.84Å; E581-K583 VanDerWaalsContact O-N 3.14Å |
| 584 | N | 84.4 | Confident | 91.6 | Very high | 77 Ų | 77 | 44.9 Ų | 44.9 | 41% | 0.412 | 23% | 0.225 | S | C | . | . | trans | -129.6 | 102.6 | -175.4 | -68.6 | -56.1 | 0 | 0 | 0 | 109.8 | Q552 T582 Y586 | Q552-N584 PolarHBondContact NE2-O 2.99Å; T582-N584 VanDerWaalsContact C-N 3.31Å; T582-N584 WeakPolarHBondContact CG2-O 3.49Å; T582-N584 PolarHBondContact O-N 3.43Å; N584-Y586 HydrophobicContact CB-CE2 4.31Å; N584-Y586 WeakPolarHBondContact O-CE2 3.27Å | ||
| 585 | L | 91.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | trans | -91.1 | 151.3 | 168.4 | -65.7 | 167.3 | 0 | 0 | 0 | 110.1 | R502 I579 T582 D589 I642 V645 | R502-L585 PolarHBondContact NH2-O 3Å; I579-L585 HydrophobicContact CG2-CD1 4.07Å; T582-L585 HydrophobicContact CG2-CD2 3.73Å; T582-L585 HydrophobicContact CG2-CG 4.13Å; L585-D589 WeakPolarHBondContact CA-OD2 3.41Å; L585-D589 HydrophobicContact CB-CB 4.42Å; L585-D589 HydrophobicContact CD2-CB 3.88Å; L585-I642 HydrophobicContact CD1-CD1 3.96Å; L585-V645 HydrophobicContact CB-CG1 4.37Å; L585-V645 HydrophobicContact CB-CG2 4.49Å; L585-V645 WeakPolarHBondContact O-CG1 3.17Å | ||
| 586 | Y | 92.5 | Very high | 91.8 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | trans | -123.5 | 164.8 | 179.7 | -58.5 | -82.5 | 0 | 0 | 0 | 111.3 | R502 N503 P520 T523 M547 C550 N584 G588 D589 V645 D648 | R502-Y586 HydrophobicContact CB-CE1 4.46Å; N503-Y586 PolarHBondContact ND2-OH 3.02Å; P520-Y586 HydrophobicContact CG-CE1 3.98Å; T523-Y586 HydrophobicContact CG2-CD2 3.83Å; T523-Y586 HydrophobicContact CG2-CE2 3.61Å; M547-Y586 HydrophobicContact CB-CD1 4.36Å; M547-Y586 HydrophobicContact CE-CD1 3.71Å; M547-Y586 HydrophobicContact CE-CE1 3.95Å; M547-Y586 HydrophobicContact CG-CD1 4.36Å; C550-Y586 HydrophobicContact CB-CG 4.45Å; N584-Y586 HydrophobicContact CB-CE2 4.31Å; N584-Y586 WeakPolarHBondContact O-CE2 3.27Å; Y586-G588 PolarHBondContact O-N 3.39Å; Y586-G588 VanDerWaalsContact O-N 3.13Å; Y586-D589 PolarHBondContact N-OD2 3.33Å; Y586-D589 WeakPolarHBondContact O-CA 3.26Å; Y586-D589 VanDerWaalsContact O-CB 3.27Å; Y586-D589 WeakPolarHBondContact O-CB 3.36Å; Y586-D589 PolarHBondContact O-N 3.38Å; Y586-V645 VanDerWaalsContact C-CG1 3.44Å; Y586-D648 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 587 | G | 91.5 | Very high | 92 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.3 | -35 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D589 I590 K591 D648 | G587-D589 VanDerWaalsContact C-N 3.34Å; G587-I590 PolarHBondContact O-N 3.5Å; G587-K591 PolarHBondContact O-N 2.96Å; G587-D648 PolarHBondContact N-OD2 3.49Å |
| 588 | G | 92.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.8 | -26.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | M547 S548 C550 Y586 K591 Q592 | M547-G588 PolarHBondContact O-N 2.74Å; S548-G588 WeakPolarHBondContact O-CA 3.22Å; C550-G588 CarbonylContact O-C 3.47Å; C550-G588 WeakPolarHBondContact O-CA 3.25Å; C550-G588 PolarHBondContact O-N 2.97Å; C550-G588 VanDerWaalsContact O-N 3.16Å; Y586-G588 PolarHBondContact O-N 3.39Å; Y586-G588 VanDerWaalsContact O-N 3.13Å; G588-K591 PolarHBondContact O-N 2.83Å; G588-Q592 WeakPolarHBondContact O-CG 3.37Å; G588-Q592 PolarHBondContact O-N 3.17Å |
| 589 | D | 94.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.5 | -38.7 | 174.6 | -63.6 | -42.5 | 0 | 0 | 0 | 111.7 | C550 S551 Q552 F555 L585 Y586 G587 K591 Q592 A593 | C550-D589 PolarHBondContact O-N 2.98Å; S551-D589 WeakPolarHBondContact CA-OD1 3.49Å; S551-D589 WeakPolarHBondContact CB-OD1 3.47Å; Q552-D589 WeakPolarHBondContact CG-OD1 3.47Å; Q552-D589 PolarHBondContact N-OD1 2.96Å; F555-D589 HydrophobicContact CE2-CB 3.96Å; F555-D589 WeakPolarHBondContact CE2-OD1 3.41Å; F555-D589 HydrophobicContact CZ-CB 4.47Å; F555-D589 WeakPolarHBondContact CZ-O 3.41Å; L585-D589 WeakPolarHBondContact CA-OD2 3.41Å; L585-D589 HydrophobicContact CB-CB 4.42Å; L585-D589 HydrophobicContact CD2-CB 3.88Å; Y586-D589 PolarHBondContact N-OD2 3.33Å; Y586-D589 WeakPolarHBondContact O-CA 3.26Å; Y586-D589 VanDerWaalsContact O-CB 3.27Å; Y586-D589 WeakPolarHBondContact O-CB 3.36Å; Y586-D589 PolarHBondContact O-N 3.38Å; G587-D589 VanDerWaalsContact C-N 3.34Å; D589-K591 VanDerWaalsContact C-N 3.34Å; D589-K591 PolarHBondContact O-N 3.06Å; D589-Q592 PolarHBondContact O-N 3.14Å; D589-A593 VanDerWaalsContact O-CB 3.25Å; D589-A593 WeakPolarHBondContact O-CB 3.47Å; D589-A593 PolarHBondContact O-N 2.76Å |
| 590 | I | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 174.6 | -62 | 171.3 | 0 | 0 | 0 | 109.5 | G587 A593 I594 V645 W646 T657 | G587-I590 PolarHBondContact O-N 3.5Å; I590-A593 PolarHBondContact O-N 2.86Å; I590-I594 HydrophobicContact CG2-CD1 3.86Å; I590-I594 WeakPolarHBondContact O-CD1 3.11Å; I590-I594 WeakPolarHBondContact O-CG1 3.25Å; I590-I594 PolarHBondContact O-N 2.82Å; I590-V645 HydrophobicContact CD1-CB 4.27Å; I590-V645 HydrophobicContact CD1-CG1 3.91Å; I590-V645 HydrophobicContact CG1-CG1 4.43Å; I590-W646 HydrophobicContact CD1-CB 4.46Å; I590-W646 HydrophobicContact CD1-CD2 3.92Å; I590-W646 HydrophobicContact CD1-CG 3.8Å; I590-W646 HydrophobicContact CG2-CD2 4.45Å; I590-W646 HydrophobicContact CG2-CH2 3.85Å; I590-W646 HydrophobicContact CG2-CZ2 3.66Å; I590-W646 HydrophobicContact CG2-CZ3 4.32Å; I590-T657 HydrophobicContact CG2-CG2 4.03Å |
| 591 | K | 93.8 | Very high | 92.8 | Very high | 66 Ų | 66 | 39.7 Ų | 39.7 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 178.8 | -67.1 | 173 | 67.2 | 169.6 | 0 | 111.7 | G587 G588 D589 I595 L649 T657 | G587-K591 PolarHBondContact O-N 2.96Å; G588-K591 PolarHBondContact O-N 2.83Å; D589-K591 VanDerWaalsContact C-N 3.34Å; D589-K591 PolarHBondContact O-N 3.06Å; K591-I595 WeakPolarHBondContact O-CD1 3.38Å; K591-I595 VanDerWaalsContact O-CG1 3.3Å; K591-I595 WeakPolarHBondContact O-CG1 3.38Å; K591-I595 PolarHBondContact O-N 3.27Å; K591-I595 VanDerWaalsContact O-N 3.14Å; K591-L649 HydrophobicContact CD-CD2 3.86Å; K591-L649 HydrophobicContact CG-CD2 4.29Å; K591-T657 HydrophobicContact CG-CG2 4.29Å |
| 592 | Q | 93.9 | Very high | 93.2 | Very high | 71 Ų | 71 | 36 Ų | 36 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.4 | -41.8 | 178.3 | -70.6 | -55.2 | -51.9 | 0 | 0 | 111.9 | F555 G588 D589 I594 I595 T596 | F555-Q592 HydrophobicContact CD1-CB 3.71Å; F555-Q592 HydrophobicContact CD2-CB 3.84Å; F555-Q592 HydrophobicContact CD2-CG 4.35Å; F555-Q592 HydrophobicContact CE1-CB 3.69Å; F555-Q592 HydrophobicContact CE2-CB 3.82Å; F555-Q592 HydrophobicContact CG-CB 3.79Å; F555-Q592 HydrophobicContact CG-CG 4.37Å; F555-Q592 HydrophobicContact CZ-CB 3.74Å; G588-Q592 WeakPolarHBondContact O-CG 3.37Å; G588-Q592 PolarHBondContact O-N 3.17Å; D589-Q592 PolarHBondContact O-N 3.14Å; Q592-I594 PolarHBondContact O-N 3.32Å; Q592-I595 PolarHBondContact O-N 2.96Å; Q592-T596 VanDerWaalsContact O-CB 3.25Å; Q592-T596 WeakPolarHBondContact O-CB 3.45Å; Q592-T596 PolarHBondContact O-N 2.94Å; Q592-T596 PolarHBondContact O-OG1 3.02Å |
| 593 | A | 96.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F555 I579 D589 I590 I595 T596 V597 L637 | F555-A593 HydrophobicContact CE1-CB 4.26Å; F555-A593 HydrophobicContact CZ-CB 4.08Å; I579-A593 HydrophobicContact CD1-CB 4Å; D589-A593 VanDerWaalsContact O-CB 3.25Å; D589-A593 WeakPolarHBondContact O-CB 3.47Å; D589-A593 PolarHBondContact O-N 2.76Å; I590-A593 PolarHBondContact O-N 2.86Å; A593-I595 PolarHBondContact O-N 2.79Å; A593-T596 PolarHBondContact O-N 2.73Å; A593-V597 WeakPolarHBondContact O-CG2 3.38Å; A593-V597 PolarHBondContact O-N 2.74Å; A593-L637 HydrophobicContact CB-CD1 3.92Å |
| 594 | I | 96.3 | Very high | 94.5 | Very high | 10 Ų | 10 | 26 Ų | 26 | 5% | 0.051 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 177.3 | -68.1 | 166.1 | 0 | 0 | 0 | 111.4 | I590 Q592 L598 Y634 T657 I661 N664 | I590-I594 HydrophobicContact CG2-CD1 3.86Å; I590-I594 WeakPolarHBondContact O-CD1 3.11Å; I590-I594 WeakPolarHBondContact O-CG1 3.25Å; I590-I594 PolarHBondContact O-N 2.82Å; Q592-I594 PolarHBondContact O-N 3.32Å; I594-L598 PolarHBondContact O-N 3.36Å; I594-Y634 HydrophobicContact CB-CE1 4.47Å; I594-Y634 HydrophobicContact CG1-CE1 4.01Å; I594-Y634 PolarHBondContact O-OH 3.3Å; I594-T657 HydrophobicContact CD1-CG2 3.5Å; I594-T657 VanDerWaalsContact CD1-CG2 3.5Å; I594-I661 HydrophobicContact CD1-CD1 4.13Å; I594-I661 HydrophobicContact CD1-CG1 3.73Å; I594-I661 HydrophobicContact CG1-CD1 4.41Å; I594-I661 HydrophobicContact CG1-CG1 3.85Å; I594-N664 VanDerWaalsContact CG2-ND2 3.28Å; I594-N664 WeakPolarHBondContact CG2-ND2 3.43Å; I594-N664 PolarHBondContact O-ND2 3.15Å |
| 595 | I | 95.2 | Very high | 95 | Very high | 82 Ų | 82 | 25.8 Ų | 25.8 | 42% | 0.421 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 178.9 | -67.1 | 166 | 0 | 0 | 0 | 111 | K591 Q592 A593 L598 N599 | K591-I595 WeakPolarHBondContact O-CD1 3.38Å; K591-I595 VanDerWaalsContact O-CG1 3.3Å; K591-I595 WeakPolarHBondContact O-CG1 3.38Å; K591-I595 PolarHBondContact O-N 3.27Å; K591-I595 VanDerWaalsContact O-N 3.14Å; Q592-I595 PolarHBondContact O-N 2.96Å; A593-I595 PolarHBondContact O-N 2.79Å; I595-L598 PolarHBondContact O-N 3.1Å; I595-N599 PolarHBondContact O-N 2.89Å |
| 596 | T | 97 | Very high | 95.1 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.5 | -45.3 | -176.8 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | I558 I562 L575 Q592 A593 L598 N599 L600 | I558-T596 HydrophobicContact CG2-CG2 3.52Å; I562-T596 HydrophobicContact CD1-CG2 3.69Å; L575-T596 HydrophobicContact CD1-CG2 4.45Å; L575-T596 HydrophobicContact CD2-CG2 3.75Å; Q592-T596 VanDerWaalsContact O-CB 3.25Å; Q592-T596 WeakPolarHBondContact O-CB 3.45Å; Q592-T596 PolarHBondContact O-N 2.94Å; Q592-T596 PolarHBondContact O-OG1 3.02Å; A593-T596 PolarHBondContact O-N 2.73Å; T596-L598 VanDerWaalsContact C-N 3.33Å; T596-L598 PolarHBondContact O-N 3.22Å; T596-N599 PolarHBondContact O-N 3.29Å; T596-L600 HydrophobicContact CG2-CD1 4.27Å; T596-L600 WeakPolarHBondContact O-CG 3.44Å; T596-L600 PolarHBondContact O-N 2.77Å |
| 597 | V | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | 176.8 | 174 | 0 | 0 | 0 | 0 | 111.5 | L575 A593 L600 S601 A630 I633 Y634 I668 | L575-V597 HydrophobicContact CD2-CG2 3.66Å; A593-V597 WeakPolarHBondContact O-CG2 3.38Å; A593-V597 PolarHBondContact O-N 2.74Å; V597-L600 PolarHBondContact O-N 2.83Å; V597-S601 PolarHBondContact O-N 3.4Å; V597-A630 HydrophobicContact CG1-CB 3.83Å; V597-I633 HydrophobicContact CG2-CB 4.4Å; V597-I633 HydrophobicContact CG2-CD1 3.93Å; V597-I633 HydrophobicContact CG2-CG2 3.99Å; V597-Y634 HydrophobicContact CB-CE2 4.34Å; V597-Y634 WeakPolarHBondContact CB-OH 3.28Å; V597-Y634 HydrophobicContact CG1-CE2 3.58Å; V597-Y634 WeakPolarHBondContact CG1-OH 3.39Å; V597-I668 HydrophobicContact CG1-CD1 3.99Å |
| 598 | L | 95.2 | Very high | 95.3 | Very high | 48 Ų | 48 | 31.1 Ų | 31.1 | 25% | 0.251 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 174.1 | -177.7 | 62.2 | 0 | 0 | 0 | 111.5 | I594 I595 T596 L600 S601 M602 T667 | I594-L598 PolarHBondContact O-N 3.36Å; I595-L598 PolarHBondContact O-N 3.1Å; T596-L598 VanDerWaalsContact C-N 3.33Å; T596-L598 PolarHBondContact O-N 3.22Å; L598-L600 VanDerWaalsContact C-N 3.32Å; L598-L600 PolarHBondContact O-N 3.37Å; L598-S601 WeakPolarHBondContact O-CB 3.32Å; L598-S601 PolarHBondContact O-N 2.93Å; L598-S601 VanDerWaalsContact O-N 3.15Å; L598-S601 PolarHBondContact O-OG 3.17Å; L598-M602 PolarHBondContact O-N 3.44Å; L598-T667 HydrophobicContact CD1-CG2 4.02Å |
| 599 | N | 96.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 34 Ų | 34 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.5 | -70.5 | -12.7 | 0 | 0 | 0 | 112.2 | I562 I595 T596 S601 M602 L603 | I562-N599 HydrophobicContact CD1-CB 4.44Å; I562-N599 HydrophobicContact CG2-CB 4.38Å; I595-N599 PolarHBondContact O-N 2.89Å; T596-N599 PolarHBondContact O-N 3.29Å; N599-S601 VanDerWaalsContact C-N 3.31Å; N599-S601 PolarHBondContact O-N 3.08Å; N599-M602 HydrophobicContact CB-CE 4.3Å; N599-M602 PolarHBondContact O-N 2.06Å; N599-M602 WeakPolarHBondContact OD1-CE 3.47Å; N599-L603 PolarHBondContact O-N 3.09Å |
| 600 | L | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 174.1 | -76.2 | 170.4 | 0 | 0 | 0 | 112.5 | I562 A568 I571 V572 L575 T596 V597 L598 M602 L603 E604 F626 | I562-L600 HydrophobicContact CD1-CD1 4.48Å; I562-L600 HydrophobicContact CD1-CD2 3.86Å; I562-L600 HydrophobicContact CD1-CG 3.75Å; I562-L600 HydrophobicContact CG1-CD2 3.62Å; I562-L600 HydrophobicContact CG1-CG 4.11Å; A568-L600 HydrophobicContact CB-CD2 4.17Å; I571-L600 HydrophobicContact CB-CD2 3.63Å; I571-L600 HydrophobicContact CD1-CD2 3.93Å; I571-L600 HydrophobicContact CG1-CD2 4.4Å; I571-L600 HydrophobicContact CG2-CD1 4.12Å; I571-L600 HydrophobicContact CG2-CD2 3.64Å; I571-L600 HydrophobicContact CG2-CG 4.43Å; V572-L600 HydrophobicContact CB-CD1 4.17Å; V572-L600 HydrophobicContact CG2-CD1 4.47Å; L575-L600 HydrophobicContact CD2-CD1 3.95Å; T596-L600 HydrophobicContact CG2-CD1 4.27Å; T596-L600 WeakPolarHBondContact O-CG 3.44Å; T596-L600 PolarHBondContact O-N 2.77Å; V597-L600 PolarHBondContact O-N 2.83Å; L598-L600 VanDerWaalsContact C-N 3.32Å; L598-L600 PolarHBondContact O-N 3.37Å; L600-M602 VanDerWaalsContact C-N 3.27Å; L600-M602 PolarHBondContact O-N 2.81Å; L600-L603 PolarHBondContact O-N 3.34Å; L600-E604 WeakPolarHBondContact O-CB 3.39Å; L600-E604 PolarHBondContact O-N 2.64Å; L600-F626 HydrophobicContact CB-CE2 3.99Å; L600-F626 HydrophobicContact CB-CZ 3.91Å |
| 601 | S | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -33.7 | 177.7 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | V597 L598 N599 Y605 F626 | V597-S601 PolarHBondContact O-N 3.4Å; L598-S601 WeakPolarHBondContact O-CB 3.32Å; L598-S601 PolarHBondContact O-N 2.93Å; L598-S601 VanDerWaalsContact O-N 3.15Å; L598-S601 PolarHBondContact O-OG 3.17Å; N599-S601 VanDerWaalsContact C-N 3.31Å; N599-S601 PolarHBondContact O-N 3.08Å; S601-Y605 WeakPolarHBondContact O-CB 3.24Å; S601-Y605 PolarHBondContact O-N 3.19Å; S601-F626 VanDerWaalsContact CA-CZ 3.5Å |
| 602 | M | 94.3 | Very high | 94.6 | Very high | 75 Ų | 75 | 48 Ų | 48 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.8 | -43.6 | 173.7 | -62.7 | -172.8 | -66.9 | 0 | 0 | 110.8 | L598 N599 L600 Y605 D606 | L598-M602 PolarHBondContact O-N 3.44Å; N599-M602 HydrophobicContact CB-CE 4.3Å; N599-M602 PolarHBondContact O-N 2.06Å; N599-M602 WeakPolarHBondContact OD1-CE 3.47Å; L600-M602 VanDerWaalsContact C-N 3.27Å; L600-M602 PolarHBondContact O-N 2.81Å; M602-Y605 PolarHBondContact O-N 2.79Å; M602-D606 PolarHBondContact O-N 3.02Å |
| 603 | L | 96.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 178.1 | -179.2 | 60.7 | 0 | 0 | 0 | 112.1 | I562 K565 A568 I571 N599 L600 Y605 D606 Q607 | I562-L603 HydrophobicContact CG2-CD2 4.29Å; K565-L603 HydrophobicContact CB-CD1 4.03Å; K565-L603 HydrophobicContact CG-CD1 4.12Å; A568-L603 HydrophobicContact CB-CB 4.27Å; A568-L603 HydrophobicContact CB-CD2 4.04Å; A568-L603 HydrophobicContact CB-CG 4.01Å; I571-L603 HydrophobicContact CD1-CD2 4.18Å; N599-L603 PolarHBondContact O-N 3.09Å; L600-L603 PolarHBondContact O-N 3.34Å; L603-Y605 PolarHBondContact O-N 2.91Å; L603-D606 PolarHBondContact O-N 2.82Å; L603-Q607 HydrophobicContact CD1-CG 4.26Å; L603-Q607 HydrophobicContact CG-CG 4.48Å; L603-Q607 WeakPolarHBondContact O-CB 3.3Å; L603-Q607 WeakPolarHBondContact O-CG 3.49Å; L603-Q607 PolarHBondContact O-N 3.29Å |
| 604 | E | 96.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 177.7 | -179.6 | 65.6 | -168.6 | 0 | 0 | 111.1 | A568 L600 D606 Q607 L608 F626 M672 | A568-E604 HydrophobicContact CB-CB 3.89Å; A568-E604 WeakPolarHBondContact CB-OE2 3.32Å; L600-E604 WeakPolarHBondContact O-CB 3.39Å; L600-E604 PolarHBondContact O-N 2.64Å; E604-D606 VanDerWaalsContact C-N 3.32Å; E604-D606 PolarHBondContact O-N 3.29Å; E604-Q607 PolarHBondContact O-N 3.39Å; E604-L608 HydrophobicContact CG-CD1 4.03Å; E604-L608 HydrophobicContact CG-CG 4.31Å; E604-L608 WeakPolarHBondContact O-CB 3.44Å; E604-L608 WeakPolarHBondContact O-CG 3.48Å; E604-L608 PolarHBondContact O-N 3.47Å; E604-L608 WeakPolarHBondContact OE1-CD1 3.5Å; E604-L608 WeakPolarHBondContact OE1-CG 3.45Å; E604-F626 HydrophobicContact CB-CD1 4.33Å; E604-F626 HydrophobicContact CB-CD2 3.81Å; E604-F626 HydrophobicContact CB-CE1 4.43Å; E604-F626 HydrophobicContact CB-CE2 3.9Å; E604-F626 HydrophobicContact CB-CG 4.05Å; E604-F626 HydrophobicContact CB-CZ 4.24Å; E604-F626 HydrophobicContact CG-CB 3.94Å; E604-F626 HydrophobicContact CG-CD1 4.14Å; E604-F626 HydrophobicContact CG-CD2 3.77Å; E604-F626 HydrophobicContact CG-CE2 4.37Å; E604-F626 HydrophobicContact CG-CG 3.65Å; E604-M672 HydrophobicContact CG-SD 4.37Å |
| 605 | Y | 94.7 | Very high | 93.8 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 176.5 | 177.6 | -95.3 | 0 | 0 | 0 | 111.8 | S601 M602 L603 S609 R671 F675 | S601-Y605 WeakPolarHBondContact O-CB 3.24Å; S601-Y605 PolarHBondContact O-N 3.19Å; M602-Y605 PolarHBondContact O-N 2.79Å; L603-Y605 PolarHBondContact O-N 2.91Å; Y605-S609 WeakPolarHBondContact O-CB 3.41Å; Y605-S609 PolarHBondContact O-N 2.86Å; Y605-R671 HydrophobicContact CD2-CB 3.93Å; Y605-R671 HydrophobicContact CD2-CG 4.35Å; Y605-R671 HydrophobicContact CG-CB 4.37Å; Y605-F675 AromaticContact CD2-CE2 3.78Å; Y605-F675 HydrophobicContact CD2-CE2 3.78Å; Y605-F675 AromaticContact CD2-CZ 3.96Å; Y605-F675 HydrophobicContact CD2-CZ 3.96Å; Y605-F675 HydrophobicContact CE2-CE2 4.22Å; Y605-F675 HydrophobicContact CE2-CZ 4.12Å |
| 606 | D | 94.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 177.8 | -79.7 | -5.5 | 0 | 0 | 0 | 111.8 | M602 L603 E604 Q610 | M602-D606 PolarHBondContact O-N 3.02Å; L603-D606 PolarHBondContact O-N 2.82Å; E604-D606 VanDerWaalsContact C-N 3.32Å; E604-D606 PolarHBondContact O-N 3.29Å; D606-Q610 VanDerWaalsContact O-CB 3.28Å; D606-Q610 WeakPolarHBondContact O-CB 3.38Å; D606-Q610 VanDerWaalsContact O-CG 3.24Å; D606-Q610 WeakPolarHBondContact O-CG 3.2Å; D606-Q610 PolarHBondContact O-N 2.84Å |
| 607 | Q | 94.5 | Very high | 92.9 | Very high | 55 Ų | 55 | 67.2 Ų | 67.2 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 178.5 | -74.9 | 177.5 | -5.2 | 0 | 0 | 111.7 | K565 D566 L603 E604 S611 | K565-Q607 PolarHBondContact O-NE2 3.02Å; D566-Q607 PolarHBondContact O-NE2 3.03Å; L603-Q607 HydrophobicContact CD1-CG 4.26Å; L603-Q607 HydrophobicContact CG-CG 4.48Å; L603-Q607 WeakPolarHBondContact O-CB 3.3Å; L603-Q607 WeakPolarHBondContact O-CG 3.49Å; L603-Q607 PolarHBondContact O-N 3.29Å; E604-Q607 PolarHBondContact O-N 3.39Å; Q607-S611 WeakPolarHBondContact O-CB 3.21Å; Q607-S611 PolarHBondContact O-N 3.05Å; Q607-S611 VanDerWaalsContact O-N 3.08Å |
| 608 | L | 94.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 178.7 | -68.1 | -178.3 | 0 | 0 | 0 | 112.6 | E604 L614 K619 N622 A623 F675 | E604-L608 HydrophobicContact CG-CD1 4.03Å; E604-L608 HydrophobicContact CG-CG 4.31Å; E604-L608 WeakPolarHBondContact O-CB 3.44Å; E604-L608 WeakPolarHBondContact O-CG 3.48Å; E604-L608 PolarHBondContact O-N 3.47Å; E604-L608 WeakPolarHBondContact OE1-CD1 3.5Å; E604-L608 WeakPolarHBondContact OE1-CG 3.45Å; L608-L614 HydrophobicContact CD2-CD1 4.12Å; L608-K619 HydrophobicContact CD2-CB 4.42Å; L608-K619 HydrophobicContact CD2-CG 4.42Å; L608-K619 WeakPolarHBondContact O-CD 3.44Å; L608-K619 VanDerWaalsContact O-CE 3.25Å; L608-K619 WeakPolarHBondContact O-CE 3.31Å; L608-K619 PolarHBondContact O-NZ 2.77Å; L608-N622 HydrophobicContact CD2-CB 3.81Å; L608-A623 HydrophobicContact CD1-CB 3.83Å; L608-F675 HydrophobicContact CB-CD1 4.45Å; L608-F675 HydrophobicContact CB-CD2 4.43Å; L608-F675 HydrophobicContact CB-CE1 3.83Å; L608-F675 HydrophobicContact CB-CE2 3.8Å; L608-F675 HydrophobicContact CB-CZ 3.47Å; L608-F675 VanDerWaalsContact CB-CZ 3.47Å; L608-F675 HydrophobicContact CD1-CD2 3.8Å; L608-F675 HydrophobicContact CD1-CE2 3.76Å; L608-F675 HydrophobicContact CD1-CG 4.35Å; L608-F675 HydrophobicContact CD1-CZ 4.29Å; L608-F675 HydrophobicContact CG-CE2 4.45Å |
| 609 | S | 91 | Very high | 92.5 | Very high | 64 Ų | 64 | 70.2 Ų | 70.2 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | Y605 | Y605-S609 WeakPolarHBondContact O-CB 3.41Å; Y605-S609 PolarHBondContact O-N 2.86Å |
| 610 | Q | 91.5 | Very high | 92.2 | Very high | 134 Ų | 134 | 67.4 Ų | 67.4 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -82 | -16.8 | -177.7 | -65 | 174.7 | 44.5 | 0 | 0 | 113.8 | D606 K612 | D606-Q610 VanDerWaalsContact O-CB 3.28Å; D606-Q610 WeakPolarHBondContact O-CB 3.38Å; D606-Q610 VanDerWaalsContact O-CG 3.24Å; D606-Q610 WeakPolarHBondContact O-CG 3.2Å; D606-Q610 PolarHBondContact O-N 2.84Å; Q610-K612 PolarHBondContact O-N 3.08Å |
| 611 | S | 90 | Very high | 92 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 16% | 0.161 | 36% | 0.357 | C | S | . | . | trans | -64.5 | 116.8 | 178.4 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | Q607 T613 L614 K619 | Q607-S611 WeakPolarHBondContact O-CB 3.21Å; Q607-S611 PolarHBondContact O-N 3.05Å; Q607-S611 VanDerWaalsContact O-N 3.08Å; S611-T613 PolarHBondContact OG-OG1 3.12Å; S611-L614 WeakPolarHBondContact OG-CB 3.39Å; S611-L614 WeakPolarHBondContact OG-CD1 3.37Å; S611-L614 VanDerWaalsContact OG-CG 3.26Å; S611-L614 WeakPolarHBondContact OG-CG 3.3Å; S611-L614 PolarHBondContact OG-N 3.1Å; S611-K619 VanDerWaalsContact O-CE 3.26Å; S611-K619 WeakPolarHBondContact O-CE 3.07Å; S611-K619 PolarHBondContact O-NZ 3.34Å | ||
| 612 | K | 88.6 | Confident | 91.9 | Very high | 207 Ų | 207 | 72.4 Ų | 72.4 | 90% | 0.9 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -91.8 | -14.1 | 174.9 | -65.4 | -176.5 | -179.2 | 179.4 | 0 | 113.3 | Q610 | Q610-K612 PolarHBondContact O-N 3.08Š|
| 613 | T | 89.5 | Confident | 91.9 | Very high | 128 Ų | 128 | 68.8 Ų | 68.8 | 79% | 0.785 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -91.6 | -31.6 | -174.7 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | S611 | S611-T613 PolarHBondContact OG-OG1 3.12Š|
| 614 | L | 89.3 | Confident | 91.8 | Very high | 51 Ų | 51 | 71.4 Ų | 71.4 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -74.4 | 133.7 | -178.7 | -68.6 | 169.9 | 0 | 0 | 0 | 111.1 | L608 S611 E618 K619 | L608-L614 HydrophobicContact CD2-CD1 4.12Å; S611-L614 WeakPolarHBondContact OG-CB 3.39Å; S611-L614 WeakPolarHBondContact OG-CD1 3.37Å; S611-L614 VanDerWaalsContact OG-CG 3.26Å; S611-L614 WeakPolarHBondContact OG-CG 3.3Å; S611-L614 PolarHBondContact OG-N 3.1Å; L614-E618 WeakPolarHBondContact CA-OE2 3.39Å; L614-E618 HydrophobicContact CB-CB 4.42Å; L614-E618 HydrophobicContact CD2-CB 3.95Å; L614-E618 WeakPolarHBondContact CD2-OE2 3.49Å; L614-K619 HydrophobicContact CB-CD 4.48Å; L614-K619 HydrophobicContact CB-CG 3.71Å; L614-K619 HydrophobicContact CD1-CG 4.28Å; L614-K619 WeakPolarHBondContact O-CE 3.46Å |
| 615 | K | 91.7 | Very high | 91.7 | Very high | 142 Ų | 142 | 75.1 Ų | 75.1 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | trans | -70.2 | 159.1 | 169 | -62.5 | 178.8 | -175.3 | 173.7 | 0 | 110.2 | E617 E618 K619 | K615-E617 VanDerWaalsContact C-N 3.26Å; K615-E617 PolarHBondContact O-N 3.47Å; K615-E618 HydrophobicContact CB-CG 4.37Å; K615-E618 PolarHBondContact N-OE2 3.24Å; K615-E618 PolarHBondContact O-N 2.66Å; K615-E618 VanDerWaalsContact O-N 3.07Å; K615-K619 WeakPolarHBondContact O-CG 3.23Å; K615-K619 PolarHBondContact O-N 3.22Å | ||
| 616 | N | 86.5 | Confident | 91.8 | Very high | 126 Ų | 126 | 71.6 Ų | 71.6 | 67% | 0.674 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57.4 | -39.3 | 178 | -70.3 | -14.6 | 0 | 0 | 0 | 112.4 | E618 K619 S620 | N616-E618 VanDerWaalsContact C-N 3.34Å; N616-E618 PolarHBondContact O-N 3.38Å; N616-K619 PolarHBondContact O-N 3.45Å; N616-S620 WeakPolarHBondContact O-CB 3.11Å; N616-S620 PolarHBondContact O-N 3.48Å |
| 617 | E | 87.1 | Confident | 91.9 | Very high | 128 Ų | 128 | 68.2 Ų | 68.2 | 60% | 0.598 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.3 | -42.2 | 175.2 | -69.7 | 173.8 | -172.3 | 0 | 0 | 112.2 | K615 S620 S621 E677 | K615-E617 VanDerWaalsContact C-N 3.26Å; K615-E617 PolarHBondContact O-N 3.47Å; E617-S620 PolarHBondContact O-N 2.87Å; E617-S621 WeakPolarHBondContact O-CB 3.49Å; E617-S621 PolarHBondContact O-N 2.67Å; E617-E677 VanDerWaalsContact CA-OE1 3.31Å; E617-E677 WeakPolarHBondContact CA-OE1 3.25Å; E617-E677 WeakPolarHBondContact CG-OE1 3.42Å |
| 618 | E | 91.1 | Very high | 91.9 | Very high | 86 Ų | 86 | 71.1 Ų | 71.1 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.9 | -40.5 | 178.7 | -64.1 | 170.6 | 160.1 | 0 | 0 | 111.3 | L614 K615 N616 S620 S621 N622 | L614-E618 WeakPolarHBondContact CA-OE2 3.39Å; L614-E618 HydrophobicContact CB-CB 4.42Å; L614-E618 HydrophobicContact CD2-CB 3.95Å; L614-E618 WeakPolarHBondContact CD2-OE2 3.49Å; K615-E618 HydrophobicContact CB-CG 4.37Å; K615-E618 PolarHBondContact N-OE2 3.24Å; K615-E618 PolarHBondContact O-N 2.66Å; K615-E618 VanDerWaalsContact O-N 3.07Å; N616-E618 VanDerWaalsContact C-N 3.34Å; N616-E618 PolarHBondContact O-N 3.38Å; E618-S620 VanDerWaalsContact C-N 3.32Å; E618-S620 PolarHBondContact O-N 3.29Å; E618-S621 PolarHBondContact O-N 2.95Å; E618-N622 WeakPolarHBondContact O-CB 3.45Å; E618-N622 VanDerWaalsContact O-CG 3.27Å; E618-N622 PolarHBondContact O-N 2.74Å; E618-N622 PolarHBondContact O-OD1 2.75Å |
| 619 | K | 92 | Very high | 92.1 | Very high | 25 Ų | 25 | 72.7 Ų | 72.7 | 11% | 0.109 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 174.3 | -65.9 | -175.3 | -176.9 | -160.5 | 0 | 111.6 | L608 S611 L614 K615 N616 N622 A623 F675 | L608-K619 HydrophobicContact CD2-CB 4.42Å; L608-K619 HydrophobicContact CD2-CG 4.42Å; L608-K619 WeakPolarHBondContact O-CD 3.44Å; L608-K619 VanDerWaalsContact O-CE 3.25Å; L608-K619 WeakPolarHBondContact O-CE 3.31Å; L608-K619 PolarHBondContact O-NZ 2.77Å; S611-K619 VanDerWaalsContact O-CE 3.26Å; S611-K619 WeakPolarHBondContact O-CE 3.07Å; S611-K619 PolarHBondContact O-NZ 3.34Å; L614-K619 HydrophobicContact CB-CD 4.48Å; L614-K619 HydrophobicContact CB-CG 3.71Å; L614-K619 HydrophobicContact CD1-CG 4.28Å; L614-K619 WeakPolarHBondContact O-CE 3.46Å; K615-K619 WeakPolarHBondContact O-CG 3.23Å; K615-K619 PolarHBondContact O-N 3.22Å; N616-K619 PolarHBondContact O-N 3.45Å; K619-N622 PolarHBondContact O-N 3.31Å; K619-A623 VanDerWaalsContact O-CB 3.27Å; K619-A623 WeakPolarHBondContact O-CB 2.99Å; K619-A623 PolarHBondContact O-N 3.26Å; K619-F675 HydrophobicContact CB-CD1 4.28Å; K619-F675 HydrophobicContact CD-CD1 4.46Å |
| 620 | S | 91.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 176.1 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | N616 E617 E618 N622 A623 E624 F675 F682 | N616-S620 WeakPolarHBondContact O-CB 3.11Å; N616-S620 PolarHBondContact O-N 3.48Å; E617-S620 PolarHBondContact O-N 2.87Å; E618-S620 VanDerWaalsContact C-N 3.32Å; E618-S620 PolarHBondContact O-N 3.29Å; S620-N622 PolarHBondContact O-N 3.31Å; S620-A623 PolarHBondContact O-N 2.79Å; S620-E624 WeakPolarHBondContact O-CB 3.45Å; S620-E624 PolarHBondContact O-N 3.38Å; S620-F675 VanDerWaalsContact CB-O 3.28Å; S620-F675 WeakPolarHBondContact CB-O 3.41Å; S620-F675 PolarHBondContact OG-O 2.82Å; S620-F682 WeakPolarHBondContact O-CZ 3.34Å |
| 621 | S | 92.3 | Very high | 92.6 | Very high | 69 Ų | 69 | 63.5 Ų | 63.5 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 112.7 | E617 E618 E624 F625 | E617-S621 WeakPolarHBondContact O-CB 3.49Å; E617-S621 PolarHBondContact O-N 2.67Å; E618-S621 PolarHBondContact O-N 2.95Å; S621-E624 PolarHBondContact O-N 3.07Å; S621-F625 WeakPolarHBondContact O-CB 3.33Å; S621-F625 PolarHBondContact O-N 2.95Å |
| 622 | N | 93.1 | Very high | 92.8 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 19% | 0.193 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 177.9 | -70.6 | 1 | 0 | 0 | 0 | 111.3 | M569 L608 E618 K619 S620 E624 F625 F626 | M569-N622 HydrophobicContact CE-CB 4.22Å; M569-N622 HydrophobicContact SD-CB 3.78Å; L608-N622 HydrophobicContact CD2-CB 3.81Å; E618-N622 WeakPolarHBondContact O-CB 3.45Å; E618-N622 VanDerWaalsContact O-CG 3.27Å; E618-N622 PolarHBondContact O-N 2.74Å; E618-N622 PolarHBondContact O-OD1 2.75Å; K619-N622 PolarHBondContact O-N 3.31Å; S620-N622 PolarHBondContact O-N 3.31Å; N622-E624 PolarHBondContact O-N 2.85Å; N622-F625 PolarHBondContact O-N 2.87Å; N622-F626 WeakPolarHBondContact O-CB 3Å; N622-F626 PolarHBondContact O-N 3.21Å |
| 623 | A | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L608 K619 S620 S627 M672 F675 F682 | L608-A623 HydrophobicContact CD1-CB 3.83Å; K619-A623 VanDerWaalsContact O-CB 3.27Å; K619-A623 WeakPolarHBondContact O-CB 2.99Å; K619-A623 PolarHBondContact O-N 3.26Å; S620-A623 PolarHBondContact O-N 2.79Å; A623-S627 VanDerWaalsContact O-CB 3.3Å; A623-S627 WeakPolarHBondContact O-CB 3.47Å; A623-S627 PolarHBondContact O-N 3.47Å; A623-S627 PolarHBondContact O-OG 3.08Å; A623-M672 HydrophobicContact CB-CB 4.04Å; A623-M672 HydrophobicContact CB-CG 4.07Å; A623-F675 HydrophobicContact CB-CB 3.94Å; A623-F675 HydrophobicContact CB-CD2 3.93Å; A623-F675 HydrophobicContact CB-CG 4.32Å; A623-F682 HydrophobicContact CB-CE2 4.13Å; A623-F682 HydrophobicContact CB-CZ 4.36Å |
| 624 | E | 94.4 | Very high | 93.5 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 33% | 0.327 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.1 | -47.6 | 174.6 | -170.8 | 178.8 | 170.7 | 0 | 0 | 111 | S620 S621 N622 S627 K628 F682 F684 | S620-E624 WeakPolarHBondContact O-CB 3.45Å; S620-E624 PolarHBondContact O-N 3.38Å; S621-E624 PolarHBondContact O-N 3.07Å; N622-E624 PolarHBondContact O-N 2.85Å; E624-S627 PolarHBondContact O-N 3.14Å; E624-K628 WeakPolarHBondContact O-CB 3.4Å; E624-K628 PolarHBondContact O-N 2.91Å; E624-F682 HydrophobicContact CB-CD1 3.8Å; E624-F682 HydrophobicContact CB-CD2 4.3Å; E624-F682 HydrophobicContact CB-CE1 3.66Å; E624-F682 HydrophobicContact CB-CE2 4.16Å; E624-F682 HydrophobicContact CB-CG 4.14Å; E624-F682 HydrophobicContact CB-CZ 3.84Å; E624-F682 HydrophobicContact CG-CB 4.34Å; E624-F682 HydrophobicContact CG-CD1 3.67Å; E624-F682 HydrophobicContact CG-CE1 4.05Å; E624-F682 HydrophobicContact CG-CG 3.95Å; E624-F684 HydrophobicContact CG-CE1 4.03Å; E624-F684 HydrophobicContact CG-CZ 4.19Å |
| 625 | F | 94.2 | Very high | 93.8 | Very high | 80 Ų | 80 | 47 Ų | 47 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 179.8 | -176.1 | -97.6 | 0 | 0 | 0 | 112.4 | M569 Q573 S621 N622 K628 N629 | M569-F625 HydrophobicContact CG-CD1 4.43Å; M569-F625 HydrophobicContact SD-CD1 4.16Å; Q573-F625 HydrophobicContact CG-CE1 4.31Å; Q573-F625 HydrophobicContact CG-CZ 4.38Å; S621-F625 WeakPolarHBondContact O-CB 3.33Å; S621-F625 PolarHBondContact O-N 2.95Å; N622-F625 PolarHBondContact O-N 2.87Å; F625-K628 PolarHBondContact O-N 3.16Å; F625-N629 WeakPolarHBondContact CD1-ND2 3.46Å; F625-N629 WeakPolarHBondContact CE1-ND2 3.47Å; F625-N629 WeakPolarHBondContact CZ-ND2 3.48Å; F625-N629 PolarHBondContact O-N 3.32Å; F625-N629 VanDerWaalsContact O-N 3.11Å; F625-N629 PolarHBondContact O-ND2 3.02Å |
| 626 | F | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.3 | -49.6 | 173.9 | 178.2 | -88.6 | 0 | 0 | 0 | 111 | A568 V572 L600 S601 E604 N622 K628 N629 A630 M672 | A568-F626 HydrophobicContact CB-CE2 4.34Å; V572-F626 HydrophobicContact CB-CD2 4.36Å; V572-F626 HydrophobicContact CB-CE2 4.07Å; V572-F626 HydrophobicContact CG1-CD2 4.02Å; V572-F626 HydrophobicContact CG1-CE2 4.24Å; V572-F626 HydrophobicContact CG2-CE2 4.3Å; L600-F626 HydrophobicContact CB-CE2 3.99Å; L600-F626 HydrophobicContact CB-CZ 3.91Å; S601-F626 VanDerWaalsContact CA-CZ 3.5Å; E604-F626 HydrophobicContact CB-CD1 4.33Å; E604-F626 HydrophobicContact CB-CD2 3.81Å; E604-F626 HydrophobicContact CB-CE1 4.43Å; E604-F626 HydrophobicContact CB-CE2 3.9Å; E604-F626 HydrophobicContact CB-CG 4.05Å; E604-F626 HydrophobicContact CB-CZ 4.24Å; E604-F626 HydrophobicContact CG-CB 3.94Å; E604-F626 HydrophobicContact CG-CD1 4.14Å; E604-F626 HydrophobicContact CG-CD2 3.77Å; E604-F626 HydrophobicContact CG-CE2 4.37Å; E604-F626 HydrophobicContact CG-CG 3.65Å; N622-F626 WeakPolarHBondContact O-CB 3Å; N622-F626 PolarHBondContact O-N 3.21Å; F626-K628 VanDerWaalsContact C-N 3.27Å; F626-K628 PolarHBondContact O-N 3.47Å; F626-N629 PolarHBondContact O-N 3.21Å; F626-A630 HydrophobicContact CE1-CB 4.12Å; F626-A630 HydrophobicContact CZ-CB 4.46Å; F626-A630 WeakPolarHBondContact O-CB 3.27Å; F626-A630 PolarHBondContact O-N 2.95Å; F626-M672 HydrophobicContact CD1-CE 3.98Å; F626-M672 HydrophobicContact CD1-CG 4.07Å; F626-M672 HydrophobicContact CD1-SD 4.28Å; F626-M672 HydrophobicContact CE1-CE 3.86Å |
| 627 | S | 95.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.5 | -40.9 | -179.9 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | A623 E624 T631 M672 | A623-S627 VanDerWaalsContact O-CB 3.3Å; A623-S627 WeakPolarHBondContact O-CB 3.47Å; A623-S627 PolarHBondContact O-N 3.47Å; A623-S627 PolarHBondContact O-OG 3.08Å; E624-S627 PolarHBondContact O-N 3.14Å; S627-T631 VanDerWaalsContact O-CB 3.3Å; S627-T631 WeakPolarHBondContact O-CB 3.1Å; S627-T631 PolarHBondContact O-N 2.87Å; S627-T631 PolarHBondContact O-OG1 3.02Å; S627-M672 WeakPolarHBondContact OG-CB 3.49Å; S627-M672 VanDerWaalsContact OG-CG 3.23Å; S627-M672 WeakPolarHBondContact OG-CG 3.38Å |
| 628 | K | 95.9 | Very high | 94.4 | Very high | 117 Ų | 117 | 30.6 Ų | 30.6 | 51% | 0.509 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.8 | -49 | 176.5 | -173.5 | 177.1 | 178.2 | 178.3 | 0 | 112.1 | E624 F625 F626 T631 A632 F684 | E624-K628 WeakPolarHBondContact O-CB 3.4Å; E624-K628 PolarHBondContact O-N 2.91Å; F625-K628 PolarHBondContact O-N 3.16Å; F626-K628 VanDerWaalsContact C-N 3.27Å; F626-K628 PolarHBondContact O-N 3.47Å; K628-T631 PolarHBondContact O-N 3.15Å; K628-A632 WeakPolarHBondContact O-CB 3.44Å; K628-A632 PolarHBondContact O-N 2.83Å; K628-F684 HydrophobicContact CB-CD1 3.88Å; K628-F684 HydrophobicContact CB-CE1 3.66Å; K628-F684 HydrophobicContact CB-CZ 4.42Å; K628-F684 HydrophobicContact CG-CD1 4.05Å; K628-F684 HydrophobicContact CG-CE1 4.29Å |
| 629 | N | 96.5 | Very high | 94.4 | Very high | 37 Ų | 37 | 28.3 Ų | 28.3 | 20% | 0.198 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.3 | -41.7 | -179.7 | -74.2 | -62.9 | 0 | 0 | 0 | 112.2 | V572 F625 F626 T631 A632 I633 | V572-N629 HydrophobicContact CG1-CB 3.85Å; V572-N629 HydrophobicContact CG2-CB 3.99Å; F625-N629 WeakPolarHBondContact CD1-ND2 3.46Å; F625-N629 WeakPolarHBondContact CE1-ND2 3.47Å; F625-N629 WeakPolarHBondContact CZ-ND2 3.48Å; F625-N629 PolarHBondContact O-N 3.32Å; F625-N629 VanDerWaalsContact O-N 3.11Å; F625-N629 PolarHBondContact O-ND2 3.02Å; F626-N629 PolarHBondContact O-N 3.21Å; N629-T631 VanDerWaalsContact C-N 3.34Å; N629-T631 PolarHBondContact O-N 2.03Å; N629-A632 WeakPolarHBondContact O-CB 3.42Å; N629-A632 PolarHBondContact O-N 2.93Å; N629-I633 WeakPolarHBondContact O-CG1 3.37Å; N629-I633 PolarHBondContact O-N 3.27Å |
| 630 | A | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V572 V597 F626 A632 I633 Y634 I668 | V572-A630 HydrophobicContact CG2-CB 4.43Å; V597-A630 HydrophobicContact CG1-CB 3.83Å; F626-A630 HydrophobicContact CE1-CB 4.12Å; F626-A630 HydrophobicContact CZ-CB 4.46Å; F626-A630 WeakPolarHBondContact O-CB 3.27Å; F626-A630 PolarHBondContact O-N 2.95Å; A630-A632 VanDerWaalsContact C-N 3.33Å; A630-A632 PolarHBondContact O-N 2.84Å; A630-I633 PolarHBondContact O-N 2.85Å; A630-Y634 VanDerWaalsContact O-CD2 3.3Å; A630-Y634 WeakPolarHBondContact O-CD2 3.21Å; A630-Y634 PolarHBondContact O-N 2.89Å; A630-I668 HydrophobicContact CB-CD1 3.9Å |
| 631 | T | 95.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.1 | -37.2 | 175.2 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | S627 K628 N629 I633 Y634 N635 L665 L686 I689 | S627-T631 VanDerWaalsContact O-CB 3.3Å; S627-T631 WeakPolarHBondContact O-CB 3.1Å; S627-T631 PolarHBondContact O-N 2.87Å; S627-T631 PolarHBondContact O-OG1 3.02Å; K628-T631 PolarHBondContact O-N 3.15Å; N629-T631 VanDerWaalsContact C-N 3.34Å; N629-T631 PolarHBondContact O-N 2.03Å; T631-I633 PolarHBondContact O-N 3.07Å; T631-Y634 PolarHBondContact O-N 2.78Å; T631-N635 VanDerWaalsContact O-CB 3.24Å; T631-N635 WeakPolarHBondContact O-CB 3.19Å; T631-N635 PolarHBondContact O-N 2.84Å; T631-L665 HydrophobicContact CG2-CD2 4.03Å; T631-L686 HydrophobicContact CG2-CD1 3.82Å; T631-I689 HydrophobicContact CG2-CB 4.24Å; T631-I689 HydrophobicContact CG2-CG2 3.78Å |
| 632 | A | 96 | Very high | 93.4 | Very high | 39 Ų | 39 | 34.2 Ų | 34.2 | 32% | 0.322 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K628 N629 A630 N635 K636 L686 | K628-A632 WeakPolarHBondContact O-CB 3.44Å; K628-A632 PolarHBondContact O-N 2.83Å; N629-A632 WeakPolarHBondContact O-CB 3.42Å; N629-A632 PolarHBondContact O-N 2.93Å; A630-A632 VanDerWaalsContact C-N 3.33Å; A630-A632 PolarHBondContact O-N 2.84Å; A632-N635 WeakPolarHBondContact O-CB 2.98Å; A632-N635 PolarHBondContact O-N 2.94Å; A632-K636 PolarHBondContact O-N 2.79Å; A632-L686 HydrophobicContact CB-CD1 4.46Å |
| 633 | I | 97 | Very high | 93.1 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -51 | 174.1 | -67.2 | 164.7 | 0 | 0 | 0 | 110.4 | V572 L575 I579 V597 N629 A630 T631 N635 K636 L637 | V572-I633 HydrophobicContact CG2-CD1 3.72Å; L575-I633 HydrophobicContact CB-CD1 4.27Å; L575-I633 HydrophobicContact CD2-CD1 3.92Å; L575-I633 HydrophobicContact CG-CD1 3.98Å; I579-I633 HydrophobicContact CD1-CG2 3.68Å; V597-I633 HydrophobicContact CG2-CB 4.4Å; V597-I633 HydrophobicContact CG2-CD1 3.93Å; V597-I633 HydrophobicContact CG2-CG2 3.99Å; N629-I633 WeakPolarHBondContact O-CG1 3.37Å; N629-I633 PolarHBondContact O-N 3.27Å; A630-I633 PolarHBondContact O-N 2.85Å; T631-I633 PolarHBondContact O-N 3.07Å; I633-N635 VanDerWaalsContact C-N 3.31Å; I633-N635 PolarHBondContact O-N 2.82Å; I633-K636 PolarHBondContact O-N 3.5Å; I633-L637 WeakPolarHBondContact O-CG 3.42Å; I633-L637 PolarHBondContact O-N 2.67Å |
| 634 | Y | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -39 | 177.3 | -68.4 | -52.4 | 0 | 0 | 0 | 112.4 | I594 V597 A630 T631 K636 L637 L638 I661 N664 L665 I668 | I594-Y634 HydrophobicContact CB-CE1 4.47Å; I594-Y634 HydrophobicContact CG1-CE1 4.01Å; I594-Y634 PolarHBondContact O-OH 3.3Å; V597-Y634 HydrophobicContact CB-CE2 4.34Å; V597-Y634 WeakPolarHBondContact CB-OH 3.28Å; V597-Y634 HydrophobicContact CG1-CE2 3.58Å; V597-Y634 WeakPolarHBondContact CG1-OH 3.39Å; A630-Y634 VanDerWaalsContact O-CD2 3.3Å; A630-Y634 WeakPolarHBondContact O-CD2 3.21Å; A630-Y634 PolarHBondContact O-N 2.89Å; T631-Y634 PolarHBondContact O-N 2.78Å; Y634-K636 VanDerWaalsContact C-N 3.3Å; Y634-K636 PolarHBondContact O-N 3.09Å; Y634-L637 HydrophobicContact CD1-CD1 4.36Å; Y634-L637 PolarHBondContact O-N 3.17Å; Y634-L638 WeakPolarHBondContact O-CG 3.32Å; Y634-L638 PolarHBondContact O-N 3.5Å; Y634-I661 HydrophobicContact CD1-CB 4.3Å; Y634-I661 HydrophobicContact CD1-CD1 4.24Å; Y634-I661 HydrophobicContact CD1-CG1 3.84Å; Y634-I661 HydrophobicContact CD1-CG2 3.8Å; Y634-I661 HydrophobicContact CE1-CG1 4.09Å; Y634-I661 HydrophobicContact CE1-CG2 4.45Å; Y634-I661 HydrophobicContact CG-CG2 3.84Å; Y634-N664 HydrophobicContact CE2-CB 4.16Å; Y634-N664 VanDerWaalsContact OH-CB 3.24Å; Y634-N664 WeakPolarHBondContact OH-CB 3.33Å; Y634-N664 PolarHBondContact OH-ND2 2.92Å; Y634-L665 HydrophobicContact CD2-CD1 4.38Å; Y634-L665 HydrophobicContact CD2-CD2 3.71Å; Y634-L665 HydrophobicContact CD2-CG 3.85Å; Y634-L665 HydrophobicContact CE2-CD2 4.28Å; Y634-L665 HydrophobicContact CE2-CG 4.27Å; Y634-I668 HydrophobicContact CE2-CD1 3.89Å |
| 635 | N | 94.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 9% | 0.086 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 176.4 | -178.3 | 82.7 | 0 | 0 | 0 | 111.5 | T631 A632 I633 L638 N639 L686 S687 N688 I689 | T631-N635 VanDerWaalsContact O-CB 3.24Å; T631-N635 WeakPolarHBondContact O-CB 3.19Å; T631-N635 PolarHBondContact O-N 2.84Å; A632-N635 WeakPolarHBondContact O-CB 2.98Å; A632-N635 PolarHBondContact O-N 2.94Å; I633-N635 VanDerWaalsContact C-N 3.31Å; I633-N635 PolarHBondContact O-N 2.82Å; N635-L638 PolarHBondContact O-N 3.04Å; N635-N639 PolarHBondContact O-OD1 2.95Å; N635-L686 HydrophobicContact CB-CB 4.2Å; N635-L686 HydrophobicContact CB-CD1 3.66Å; N635-L686 VanDerWaalsContact CG-CB 3.5Å; N635-L686 VanDerWaalsContact OD1-CB 3.24Å; N635-L686 WeakPolarHBondContact OD1-CB 3.44Å; N635-S687 PolarHBondContact ND2-OG 2.67Å; N635-S687 PolarHBondContact OD1-N 2.77Å; N635-S687 PolarHBondContact OD1-OG 3.41Å; N635-N688 PolarHBondContact O-ND2 2.8Å; N635-N688 WeakPolarHBondContact OD1-CA 3.43Å; N635-N688 WeakPolarHBondContact OD1-CB 3.33Å; N635-N688 PolarHBondContact OD1-N 3.42Å; N635-I689 HydrophobicContact CB-CD1 4.12Å; N635-I689 HydrophobicContact CB-CG1 4.24Å; N635-I689 PolarHBondContact OD1-N 3.46Å; N635-I689 VanDerWaalsContact OD1-N 3.11Å |
| 636 | K | 92.5 | Very high | 92.3 | Very high | 47 Ų | 47 | 31.8 Ų | 31.8 | 20% | 0.204 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 175.3 | 177.2 | 56.2 | 171.8 | 167 | 0 | 112.2 | I579 D580 A632 I633 Y634 L638 N639 D641 I642 | I579-K636 HydrophobicContact CG2-CG 4.33Å; D580-K636 VanDerWaalsContact OD1-CE 3.31Å; D580-K636 WeakPolarHBondContact OD1-CE 3.24Å; A632-K636 PolarHBondContact O-N 2.79Å; I633-K636 PolarHBondContact O-N 3.5Å; Y634-K636 VanDerWaalsContact C-N 3.3Å; Y634-K636 PolarHBondContact O-N 3.09Å; K636-L638 PolarHBondContact O-N 3.34Å; K636-L638 VanDerWaalsContact O-N 3.12Å; K636-N639 WeakPolarHBondContact CD-ND2 3.46Å; K636-N639 WeakPolarHBondContact O-CB 3.36Å; K636-N639 PolarHBondContact O-N 3.44Å; K636-N639 VanDerWaalsContact O-N 3.11Å; K636-D641 IonicContact NZ-OD2 3.53Å; K636-D641 PolarHBondContact NZ-OD2 3Å; K636-I642 WeakPolarHBondContact O-CG1 3.37Å |
| 637 | L | 93.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -17.4 | 176.5 | -66.4 | -179.2 | 0 | 0 | 0 | 113.7 | I579 A593 I633 Y634 I642 W646 | I579-L637 HydrophobicContact CG2-CD2 4.48Å; A593-L637 HydrophobicContact CB-CD1 3.92Å; I633-L637 WeakPolarHBondContact O-CG 3.42Å; I633-L637 PolarHBondContact O-N 2.67Å; Y634-L637 HydrophobicContact CD1-CD1 4.36Å; Y634-L637 PolarHBondContact O-N 3.17Å; L637-I642 HydrophobicContact CD2-CG2 4.45Å; L637-I642 WeakPolarHBondContact O-CG2 3.11Å; L637-W646 PolarHBondContact O-NE1 2.81Å |
| 638 | L | 92.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 4.4 | 178.5 | -63.8 | 177.9 | 0 | 0 | 0 | 114 | Y634 N635 K636 W646 I661 N688 I689 I731 L734 | Y634-L638 WeakPolarHBondContact O-CG 3.32Å; Y634-L638 PolarHBondContact O-N 3.5Å; N635-L638 PolarHBondContact O-N 3.04Å; K636-L638 PolarHBondContact O-N 3.34Å; K636-L638 VanDerWaalsContact O-N 3.12Å; L638-W646 HydrophobicContact CD2-CZ2 4.25Å; L638-I661 HydrophobicContact CD2-CD1 4.23Å; L638-N688 HydrophobicContact CB-CB 4.02Å; L638-N688 PolarHBondContact O-ND2 2.62Å; L638-I689 HydrophobicContact CD1-CD1 3.9Å; L638-I689 HydrophobicContact CD1-CG1 3.97Å; L638-I731 HydrophobicContact CD1-CD1 3.56Å; L638-I731 HydrophobicContact CD1-CG1 3.72Å; L638-I731 HydrophobicContact CD2-CD1 4.45Å; L638-I731 HydrophobicContact CD2-CG1 3.82Å; L638-I731 HydrophobicContact CG-CG1 4.44Å; L638-L734 HydrophobicContact CD2-CD1 3.88Å |
| 639 | N | 90.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 20% | 0.203 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -69.6 | 152.5 | 173.9 | -74.3 | -10.8 | 0 | 0 | 0 | 111.6 | N635 K636 D641 I642 L643 N688 | N635-N639 PolarHBondContact O-OD1 2.95Å; K636-N639 WeakPolarHBondContact CD-ND2 3.46Å; K636-N639 WeakPolarHBondContact O-CB 3.36Å; K636-N639 PolarHBondContact O-N 3.44Å; K636-N639 VanDerWaalsContact O-N 3.11Å; N639-D641 WeakPolarHBondContact CB-OD1 3.04Å; N639-D641 PolarHBondContact O-N 3.01Å; N639-D641 VanDerWaalsContact O-N 3.16Å; N639-I642 CarbonylContact O-C 3.5Å; N639-I642 WeakPolarHBondContact O-CA 3.37Å; N639-I642 PolarHBondContact O-N 3.05Å; N639-L643 PolarHBondContact O-N 2.99Å; N639-N688 PolarHBondContact N-ND2 2.75Å; N639-N688 PolarHBondContact OD1-ND2 3.15Å |
| 640 | D | 84.7 | Confident | 91.1 | Very high | 113 Ų | 113 | 32.1 Ų | 32.1 | 60% | 0.604 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -56.2 | -33.1 | -177.6 | -62.3 | -20.6 | 0 | 0 | 0 | 114 | I642 L643 | D640-I642 VanDerWaalsContact C-N 3.34Å; D640-L643 PolarHBondContact O-N 3.12Å |
| 641 | D | 82.7 | Confident | 90.3 | Very high | 93 Ų | 93 | 39.4 Ų | 39.4 | 50% | 0.497 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.4 | -36.7 | 175 | 59 | -41 | 0 | 0 | 0 | 112.2 | K636 N639 | K636-D641 IonicContact NZ-OD2 3.53Å; K636-D641 PolarHBondContact NZ-OD2 3Å; N639-D641 WeakPolarHBondContact CB-OD1 3.04Å; N639-D641 PolarHBondContact O-N 3.01Å; N639-D641 VanDerWaalsContact O-N 3.16Å |
| 642 | I | 87.8 | Confident | 89.4 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -84.3 | -25.4 | 178.8 | -52.7 | -54.6 | 0 | 0 | 0 | 111.8 | L585 K636 L637 N639 D640 L644 V645 W646 | L585-I642 HydrophobicContact CD1-CD1 3.96Å; K636-I642 WeakPolarHBondContact O-CG1 3.37Å; L637-I642 HydrophobicContact CD2-CG2 4.45Å; L637-I642 WeakPolarHBondContact O-CG2 3.11Å; N639-I642 CarbonylContact O-C 3.5Å; N639-I642 WeakPolarHBondContact O-CA 3.37Å; N639-I642 PolarHBondContact O-N 3.05Å; D640-I642 VanDerWaalsContact C-N 3.34Å; I642-L644 PolarHBondContact O-N 3.15Å; I642-L644 VanDerWaalsContact O-N 3.08Å; I642-V645 HydrophobicContact CG2-CB 4.36Å; I642-V645 WeakPolarHBondContact O-CA 3.43Å; I642-V645 VanDerWaalsContact O-CB 3.25Å; I642-V645 WeakPolarHBondContact O-CB 2.99Å; I642-V645 PolarHBondContact O-N 2.81Å; I642-W646 PolarHBondContact O-N 2.82Å |
| 643 | L | 86.2 | Confident | 88.9 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.8 | -25.6 | 174.8 | -70.7 | -178.9 | 0 | 0 | 0 | 113 | N639 D640 W646 L734 | N639-L643 PolarHBondContact O-N 2.99Å; D640-L643 PolarHBondContact O-N 3.12Å; L643-W646 PolarHBondContact O-N 2.96Å; L643-L734 HydrophobicContact CD2-CD1 4.16Å; L643-L734 HydrophobicContact CD2-CD2 4.3Å; L643-L734 HydrophobicContact CD2-CG 4.21Å |
| 644 | L | 83.4 | Confident | 88.4 | Confident | 104 Ų | 104 | 47.2 Ų | 47.2 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.4 | -36.5 | 170.7 | -173.8 | 65.8 | 0 | 0 | 0 | 112.5 | I642 W646 K647 | I642-L644 PolarHBondContact O-N 3.15Å; I642-L644 VanDerWaalsContact O-N 3.08Å; L644-W646 VanDerWaalsContact C-N 3.34Å; L644-K647 HydrophobicContact CD1-CD 4.25Å; L644-K647 WeakPolarHBondContact O-CB 3.41Å; L644-K647 PolarHBondContact O-N 3.03Å |
| 645 | V | 90.7 | Very high | 87.8 | Confident | 11 Ų | 11 | 47.6 Ų | 47.6 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.2 | -31.9 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | L585 Y586 I590 I642 K647 D648 | L585-V645 HydrophobicContact CB-CG1 4.37Å; L585-V645 HydrophobicContact CB-CG2 4.49Å; L585-V645 WeakPolarHBondContact O-CG1 3.17Å; Y586-V645 VanDerWaalsContact C-CG1 3.44Å; I590-V645 HydrophobicContact CD1-CB 4.27Å; I590-V645 HydrophobicContact CD1-CG1 3.91Å; I590-V645 HydrophobicContact CG1-CG1 4.43Å; I642-V645 HydrophobicContact CG2-CB 4.36Å; I642-V645 WeakPolarHBondContact O-CA 3.43Å; I642-V645 VanDerWaalsContact O-CB 3.25Å; I642-V645 WeakPolarHBondContact O-CB 2.99Å; I642-V645 PolarHBondContact O-N 2.81Å; V645-K647 PolarHBondContact O-N 2.95Å; V645-K647 VanDerWaalsContact O-N 3.15Å; V645-D648 WeakPolarHBondContact O-CB 3.45Å; V645-D648 PolarHBondContact O-N 2.92Å |
| 646 | W | 92.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.4 | -29.4 | 174.5 | -78.1 | 83.3 | 0 | 0 | 0 | 112.5 | I590 L637 L638 I642 L643 L644 D648 L649 L654 T657 A658 I661 L734 | I590-W646 HydrophobicContact CD1-CB 4.46Å; I590-W646 HydrophobicContact CD1-CD2 3.92Å; I590-W646 HydrophobicContact CD1-CG 3.8Å; I590-W646 HydrophobicContact CG2-CD2 4.45Å; I590-W646 HydrophobicContact CG2-CH2 3.85Å; I590-W646 HydrophobicContact CG2-CZ2 3.66Å; I590-W646 HydrophobicContact CG2-CZ3 4.32Å; L637-W646 PolarHBondContact O-NE1 2.81Å; L638-W646 HydrophobicContact CD2-CZ2 4.25Å; I642-W646 PolarHBondContact O-N 2.82Å; L643-W646 PolarHBondContact O-N 2.96Å; L644-W646 VanDerWaalsContact C-N 3.34Å; W646-D648 PolarHBondContact O-N 3Å; W646-D648 VanDerWaalsContact O-N 3.16Å; W646-L649 HydrophobicContact CE3-CD1 3.86Å; W646-L649 HydrophobicContact CZ3-CD1 4.23Å; W646-L649 WeakPolarHBondContact O-CB 3.45Å; W646-L649 PolarHBondContact O-N 2.64Å; W646-L654 HydrophobicContact CB-CD2 4.17Å; W646-L654 HydrophobicContact CE3-CD2 3.94Å; W646-L654 VanDerWaalsContact O-CD2 3.26Å; W646-L654 WeakPolarHBondContact O-CD2 3.48Å; W646-T657 HydrophobicContact CH2-CG2 3.9Å; W646-T657 HydrophobicContact CZ3-CG2 3.69Å; W646-A658 HydrophobicContact CH2-CB 4.32Å; W646-A658 HydrophobicContact CZ3-CB 4.16Å; W646-I661 HydrophobicContact CH2-CD1 3.71Å; W646-I661 HydrophobicContact CZ2-CD1 3.59Å; W646-L734 HydrophobicContact CB-CD2 3.74Å; W646-L734 HydrophobicContact CD2-CD1 3.62Å; W646-L734 HydrophobicContact CD2-CD2 3.68Å; W646-L734 HydrophobicContact CD2-CG 4.32Å; W646-L734 HydrophobicContact CE3-CD1 3.75Å; W646-L734 HydrophobicContact CE3-CD2 3.69Å; W646-L734 HydrophobicContact CE3-CG 4.32Å; W646-L734 HydrophobicContact CG-CD1 4.24Å; W646-L734 HydrophobicContact CG-CD2 3.72Å; W646-L734 HydrophobicContact CH2-CD1 3.92Å; W646-L734 HydrophobicContact CZ2-CD1 3.8Å; W646-L734 HydrophobicContact CZ3-CD1 3.89Å; W646-L734 HydrophobicContact CZ3-CD2 4.49Å |
| 647 | K | 89.2 | Confident | 87.3 | Confident | 128 Ų | 128 | 50 Ų | 50 | 56% | 0.557 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.7 | 175.8 | -60.1 | -176.7 | -175.2 | 174.3 | 0 | 114.1 | V544 L644 V645 L649 | V544-K647 HydrophobicContact CG2-CB 4.48Å; L644-K647 HydrophobicContact CD1-CD 4.25Å; L644-K647 WeakPolarHBondContact O-CB 3.41Å; L644-K647 PolarHBondContact O-N 3.03Å; V645-K647 PolarHBondContact O-N 2.95Å; V645-K647 VanDerWaalsContact O-N 3.15Å; K647-L649 PolarHBondContact O-N 3.22Å |
| 648 | D | 92.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -16.9 | 170 | -72.5 | -3.5 | 0 | 0 | 0 | 112.5 | R502 V544 D546 M547 Y586 G587 V645 W646 | R502-D648 IonicContact CZ-OD1 3.18Å; R502-D648 IonicContact CZ-OD2 3.19Å; R502-D648 IonicContact NE-OD1 2.88Å; R502-D648 PolarHBondContact NE-OD1 2.96Å; R502-D648 IonicContact NE-OD2 3.22Å; R502-D648 PolarHBondContact NE-OD2 3.09Å; R502-D648 IonicContact NH2-OD1 3.65Å; R502-D648 PolarHBondContact NH2-OD1 3.31Å; R502-D648 IonicContact NH2-OD2 2.76Å; R502-D648 PolarHBondContact NH2-OD2 3.13Å; V544-D648 WeakPolarHBondContact CG1-OD1 3.34Å; D546-D648 WeakPolarHBondContact CA-O 3.46Å; M547-D648 HydrophobicContact CB-CB 3.79Å; M547-D648 WeakPolarHBondContact CB-OD2 3.38Å; M547-D648 HydrophobicContact CG-CB 4.13Å; M547-D648 PolarHBondContact N-O 2.93Å; Y586-D648 WeakPolarHBondContact CA-OD2 3.37Å; G587-D648 PolarHBondContact N-OD2 3.49Å; V645-D648 WeakPolarHBondContact O-CB 3.45Å; V645-D648 PolarHBondContact O-N 2.92Å; W646-D648 PolarHBondContact O-N 3Å; W646-D648 VanDerWaalsContact O-N 3.16Å |
| 649 | L | 90.8 | Very high | 87 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -87 | 141.6 | 177.7 | -62.2 | 172.2 | 0 | 0 | 0 | 110.2 | S548 K591 W646 K647 L654 T657 | S548-L649 VanDerWaalsContact CB-CD2 3.5Å; K591-L649 HydrophobicContact CD-CD2 3.86Å; K591-L649 HydrophobicContact CG-CD2 4.29Å; W646-L649 HydrophobicContact CE3-CD1 3.86Å; W646-L649 HydrophobicContact CZ3-CD1 4.23Å; W646-L649 WeakPolarHBondContact O-CB 3.45Å; W646-L649 PolarHBondContact O-N 2.64Å; K647-L649 PolarHBondContact O-N 3.22Å; L649-L654 HydrophobicContact CB-CD2 4Å; L649-L654 HydrophobicContact CB-CG 4.4Å; L649-L654 HydrophobicContact CD1-CD2 4.3Å; L649-T657 HydrophobicContact CD1-CG2 4.02Å |
| 650 | P | 87.4 | Confident | 87.1 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 17% | 0.169 | 25% | 0.254 | C | S | . | . | trans | -55.8 | 146.4 | 169.7 | -25.7 | 35.1 | 0 | 0 | 0 | 111.8 | E652 Q653 L654 | P650-E652 PolarHBondContact O-N 2.02Å; P650-E652 VanDerWaalsContact O-N 3.11Å; P650-Q653 HydrophobicContact CB-CG 4.47Å; P650-Q653 PolarHBondContact O-N 3.02Å; P650-L654 PolarHBondContact O-N 3.09Å | ||
| 651 | K | 81.5 | Confident | 87.5 | Confident | 153 Ų | 153 | 45 Ų | 45 | 67% | 0.665 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -54.1 | -35 | -178.9 | -76.3 | -173.4 | 172 | -176.1 | 0 | 112.8 | Q653 Q738 | K651-Q653 VanDerWaalsContact C-N 3.32Å; K651-Q653 PolarHBondContact O-N 3.22Å; K651-Q738 PolarHBondContact O-NE2 3.42Å |
| 652 | E | 77.3 | Confident | 87.9 | Confident | 119 Ų | 119 | 40.6 Ų | 40.6 | 56% | 0.556 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -69 | -30 | 177.7 | -49.7 | 103.3 | 179.9 | 0 | 0 | 112.4 | P650 H656 | P650-E652 PolarHBondContact O-N 2.02Å; P650-E652 VanDerWaalsContact O-N 3.11Å; E652-H656 PolarHBondContact O-CD2 3.23Å; E652-H656 VanDerWaalsContact O-CD2 3.22Å |
| 653 | Q | 84.3 | Confident | 87.9 | Confident | 60 Ų | 60 | 45.7 Ų | 45.7 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -84.7 | -19.9 | -178.3 | -69.1 | -174.5 | 45.4 | 0 | 0 | 113.7 | P650 K651 H656 T657 | P650-Q653 HydrophobicContact CB-CG 4.47Å; P650-Q653 PolarHBondContact O-N 3.02Å; K651-Q653 VanDerWaalsContact C-N 3.32Å; K651-Q653 PolarHBondContact O-N 3.22Å; Q653-H656 PolarHBondContact O-N 3.26Å; Q653-T657 VanDerWaalsContact O-CB 3.31Å; Q653-T657 WeakPolarHBondContact O-CB 3.42Å; Q653-T657 PolarHBondContact O-N 3.15Å; Q653-T657 PolarHBondContact O-OG1 3.21Å |
| 654 | L | 86.2 | Confident | 88.2 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 18% | 0.183 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.1 | -53.3 | -178.3 | -77 | 173.4 | 0 | 0 | 0 | 112 | W646 L649 P650 H656 T657 A658 L734 | W646-L654 HydrophobicContact CB-CD2 4.17Å; W646-L654 HydrophobicContact CE3-CD2 3.94Å; W646-L654 VanDerWaalsContact O-CD2 3.26Å; W646-L654 WeakPolarHBondContact O-CD2 3.48Å; L649-L654 HydrophobicContact CB-CD2 4Å; L649-L654 HydrophobicContact CB-CG 4.4Å; L649-L654 HydrophobicContact CD1-CD2 4.3Å; P650-L654 PolarHBondContact O-N 3.09Å; L654-H656 PolarHBondContact O-N 3.41Å; L654-T657 PolarHBondContact O-N 2.65Å; L654-A658 WeakPolarHBondContact O-CB 3.33Å; L654-A658 PolarHBondContact O-N 2.78Å; L654-L734 HydrophobicContact CD2-CD2 4.24Å |
| 655 | G | 83.8 | Confident | 88.7 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 8% | 0.082 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -49 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T657 A658 S659 | G655-T657 VanDerWaalsContact C-N 3.35Å; G655-T657 PolarHBondContact O-N 2.99Å; G655-A658 PolarHBondContact O-N 2.78Å; G655-S659 WeakPolarHBondContact O-CB 3.27Å; G655-S659 PolarHBondContact O-N 3.42Å; G655-S659 PolarHBondContact O-OG 3.45Å |
| 656 | H | 85.7 | Confident | 88.6 | Confident | 102 Ų | 102 | 41.1 Ų | 41.1 | 47% | 0.472 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 177.9 | -68.6 | -62.1 | 0 | 0 | 0 | 113.4 | E652 Q653 L654 S660 N810 | E652-H656 PolarHBondContact O-CD2 3.23Å; E652-H656 VanDerWaalsContact O-CD2 3.22Å; Q653-H656 PolarHBondContact O-N 3.26Å; L654-H656 PolarHBondContact O-N 3.41Å; H656-S660 PolarHBondContact O-N 3.46Å; H656-S660 VanDerWaalsContact O-N 3.11Å; H656-S660 PolarHBondContact O-OG 2.98Å; H656-N810 PolarHBondContact CE1-ND2 2.95Å; H656-N810 PolarHBondContact ND1-ND2 3.22Å; H656-N810 PolarHBondContact ND1-OD1 3.03Å |
| 657 | T | 89.8 | Confident | 88.5 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 8% | 0.08 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.4 | -40.6 | -178.2 | -52.7 | 0 | 0 | 0 | 0 | 110.8 | I590 K591 I594 W646 L649 Q653 L654 G655 S660 I661 | I590-T657 HydrophobicContact CG2-CG2 4.03Å; K591-T657 HydrophobicContact CG-CG2 4.29Å; I594-T657 HydrophobicContact CD1-CG2 3.5Å; I594-T657 VanDerWaalsContact CD1-CG2 3.5Å; W646-T657 HydrophobicContact CH2-CG2 3.9Å; W646-T657 HydrophobicContact CZ3-CG2 3.69Å; L649-T657 HydrophobicContact CD1-CG2 4.02Å; Q653-T657 VanDerWaalsContact O-CB 3.31Å; Q653-T657 WeakPolarHBondContact O-CB 3.42Å; Q653-T657 PolarHBondContact O-N 3.15Å; Q653-T657 PolarHBondContact O-OG1 3.21Å; L654-T657 PolarHBondContact O-N 2.65Å; G655-T657 VanDerWaalsContact C-N 3.35Å; G655-T657 PolarHBondContact O-N 2.99Å; T657-S660 WeakPolarHBondContact O-CB 3.36Å; T657-S660 PolarHBondContact O-N 3.16Å; T657-I661 PolarHBondContact O-N 2.92Å |
| 658 | A | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.8 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W646 L654 G655 S660 I661 M662 L734 L735 | W646-A658 HydrophobicContact CH2-CB 4.32Å; W646-A658 HydrophobicContact CZ3-CB 4.16Å; L654-A658 WeakPolarHBondContact O-CB 3.33Å; L654-A658 PolarHBondContact O-N 2.78Å; G655-A658 PolarHBondContact O-N 2.78Å; A658-S660 PolarHBondContact O-N 3.27Å; A658-I661 WeakPolarHBondContact O-CB 3.44Å; A658-I661 PolarHBondContact O-N 2.76Å; A658-I661 VanDerWaalsContact O-N 3.08Å; A658-M662 PolarHBondContact O-N 2.9Å; A658-L734 HydrophobicContact CB-CB 3.9Å; A658-L734 HydrophobicContact CB-CD1 4.24Å; A658-L735 HydrophobicContact CB-CD2 3.69Å; A658-L735 HydrophobicContact CB-CG 4.46Å |
| 659 | S | 90.2 | Very high | 88.5 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.7 | -35.6 | 171.5 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | G655 I661 M662 K663 W805 N810 | G655-S659 WeakPolarHBondContact O-CB 3.27Å; G655-S659 PolarHBondContact O-N 3.42Å; G655-S659 PolarHBondContact O-OG 3.45Å; S659-I661 VanDerWaalsContact C-N 3.3Å; S659-I661 PolarHBondContact O-N 3.45Å; S659-M662 PolarHBondContact O-N 3.42Å; S659-K663 WeakPolarHBondContact O-CB 3.32Å; S659-K663 PolarHBondContact O-N 3.16Å; S659-W805 WeakPolarHBondContact OG-CZ2 3.26Å; S659-W805 PolarHBondContact OG-NE1 3.09Å; S659-N810 VanDerWaalsContact CB-OD1 3.27Å; S659-N810 WeakPolarHBondContact CB-OD1 3.35Å; S659-N810 PolarHBondContact OG-OD1 3.06Å |
| 660 | S | 91.6 | Very high | 88.4 | Confident | 46 Ų | 46 | 36.6 Ų | 36.6 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.6 | -32.4 | -179.8 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | H656 T657 A658 N664 | H656-S660 PolarHBondContact O-N 3.46Å; H656-S660 VanDerWaalsContact O-N 3.11Å; H656-S660 PolarHBondContact O-OG 2.98Å; T657-S660 WeakPolarHBondContact O-CB 3.36Å; T657-S660 PolarHBondContact O-N 3.16Å; A658-S660 PolarHBondContact O-N 3.27Å; S660-N664 WeakPolarHBondContact O-CB 3.31Å; S660-N664 PolarHBondContact O-N 2.82Å; S660-N664 PolarHBondContact O-OD1 3.45Å |
| 661 | I | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65 | -49.6 | 173.3 | -66.4 | 177.9 | 0 | 0 | 0 | 110.5 | I594 Y634 L638 W646 T657 A658 S659 K663 N664 L665 I731 | I594-I661 HydrophobicContact CD1-CD1 4.13Å; I594-I661 HydrophobicContact CD1-CG1 3.73Å; I594-I661 HydrophobicContact CG1-CD1 4.41Å; I594-I661 HydrophobicContact CG1-CG1 3.85Å; Y634-I661 HydrophobicContact CD1-CB 4.3Å; Y634-I661 HydrophobicContact CD1-CD1 4.24Å; Y634-I661 HydrophobicContact CD1-CG1 3.84Å; Y634-I661 HydrophobicContact CD1-CG2 3.8Å; Y634-I661 HydrophobicContact CE1-CG1 4.09Å; Y634-I661 HydrophobicContact CE1-CG2 4.45Å; Y634-I661 HydrophobicContact CG-CG2 3.84Å; L638-I661 HydrophobicContact CD2-CD1 4.23Å; W646-I661 HydrophobicContact CH2-CD1 3.71Å; W646-I661 HydrophobicContact CZ2-CD1 3.59Å; T657-I661 PolarHBondContact O-N 2.92Å; A658-I661 WeakPolarHBondContact O-CB 3.44Å; A658-I661 PolarHBondContact O-N 2.76Å; A658-I661 VanDerWaalsContact O-N 3.08Å; S659-I661 VanDerWaalsContact C-N 3.3Å; S659-I661 PolarHBondContact O-N 3.45Å; I661-K663 VanDerWaalsContact C-N 3.34Å; I661-K663 PolarHBondContact O-N 3.07Å; I661-N664 PolarHBondContact O-N 3.1Å; I661-L665 HydrophobicContact CG2-CD1 3.97Å; I661-L665 WeakPolarHBondContact O-CG 3.35Å; I661-L665 PolarHBondContact O-N 2.99Å; I661-I731 HydrophobicContact CG2-CD1 4.38Å |
| 662 | M | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | -179.7 | -61 | -172.4 | -67.2 | 0 | 0 | 110.9 | A658 S659 N664 L665 E666 Y727 I731 L735 V765 W805 | A658-M662 PolarHBondContact O-N 2.9Å; S659-M662 PolarHBondContact O-N 3.42Å; M662-N664 PolarHBondContact O-N 2.95Å; M662-L665 PolarHBondContact O-N 3.39Å; M662-E666 WeakPolarHBondContact O-CG 3.15Å; M662-E666 PolarHBondContact O-N 3.27Å; M662-E666 VanDerWaalsContact O-N 3.08Å; M662-Y727 WeakPolarHBondContact CA-OH 3.06Å; M662-Y727 HydrophobicContact CB-CE2 4.26Å; M662-Y727 HydrophobicContact CG-CD2 4.28Å; M662-Y727 HydrophobicContact CG-CE1 4.27Å; M662-Y727 HydrophobicContact CG-CE2 3.69Å; M662-Y727 HydrophobicContact SD-CD2 4.13Å; M662-Y727 HydrophobicContact SD-CE2 3.88Å; M662-I731 HydrophobicContact CG-CD1 3.9Å; M662-I731 HydrophobicContact SD-CG2 4.1Å; M662-L735 HydrophobicContact CE-CD1 3.58Å; M662-L735 HydrophobicContact CE-CD2 4.35Å; M662-L735 HydrophobicContact SD-CD1 4Å; M662-V765 HydrophobicContact SD-CG1 4.47Å; M662-W805 HydrophobicContact CE-CG 4.14Å |
| 663 | K | 89.2 | Confident | 89.5 | Confident | 120 Ų | 120 | 25.2 Ų | 25.2 | 52% | 0.522 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.8 | -174.7 | 176.7 | 179.8 | 180 | 0 | 112.4 | S659 I661 L665 E666 T667 | S659-K663 WeakPolarHBondContact O-CB 3.32Å; S659-K663 PolarHBondContact O-N 3.16Å; I661-K663 VanDerWaalsContact C-N 3.34Å; I661-K663 PolarHBondContact O-N 3.07Å; K663-L665 VanDerWaalsContact C-N 3.33Å; K663-L665 PolarHBondContact O-N 3Å; K663-E666 PolarHBondContact O-N 3.28Å; K663-T667 PolarHBondContact O-N 2.64Å; K663-T667 PolarHBondContact O-OG1 3.11Å |
| 664 | N | 92.2 | Very high | 89.5 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 5% | 0.048 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66 | -36.9 | 179.9 | -75.3 | 1.1 | 0 | 0 | 0 | 112 | I594 Y634 S660 I661 M662 T667 I668 | I594-N664 VanDerWaalsContact CG2-ND2 3.28Å; I594-N664 WeakPolarHBondContact CG2-ND2 3.43Å; I594-N664 PolarHBondContact O-ND2 3.15Å; Y634-N664 HydrophobicContact CE2-CB 4.16Å; Y634-N664 VanDerWaalsContact OH-CB 3.24Å; Y634-N664 WeakPolarHBondContact OH-CB 3.33Å; Y634-N664 PolarHBondContact OH-ND2 2.92Å; S660-N664 WeakPolarHBondContact O-CB 3.31Å; S660-N664 PolarHBondContact O-N 2.82Å; S660-N664 PolarHBondContact O-OD1 3.45Å; I661-N664 PolarHBondContact O-N 3.1Å; M662-N664 PolarHBondContact O-N 2.95Å; N664-T667 PolarHBondContact O-N 2.97Å; N664-I668 WeakPolarHBondContact O-CB 3.39Å; N664-I668 WeakPolarHBondContact O-CD1 3.16Å; N664-I668 WeakPolarHBondContact O-CG1 3.46Å; N664-I668 PolarHBondContact O-N 3.28Å |
| 665 | L | 92.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 174.6 | -76.1 | 165.7 | 0 | 0 | 0 | 111.9 | T631 Y634 I661 M662 K663 I668 A669 I689 F725 Y727 | T631-L665 HydrophobicContact CG2-CD2 4.03Å; Y634-L665 HydrophobicContact CD2-CD1 4.38Å; Y634-L665 HydrophobicContact CD2-CD2 3.71Å; Y634-L665 HydrophobicContact CD2-CG 3.85Å; Y634-L665 HydrophobicContact CE2-CD2 4.28Å; Y634-L665 HydrophobicContact CE2-CG 4.27Å; I661-L665 HydrophobicContact CG2-CD1 3.97Å; I661-L665 WeakPolarHBondContact O-CG 3.35Å; I661-L665 PolarHBondContact O-N 2.99Å; M662-L665 PolarHBondContact O-N 3.39Å; K663-L665 VanDerWaalsContact C-N 3.33Å; K663-L665 PolarHBondContact O-N 3Å; L665-I668 PolarHBondContact O-N 3.4Å; L665-A669 WeakPolarHBondContact O-CB 3.07Å; L665-A669 PolarHBondContact O-N 3.29Å; L665-I689 HydrophobicContact CD1-CD1 3.96Å; L665-I689 HydrophobicContact CD1-CG2 4.28Å; L665-F725 HydrophobicContact CB-CD1 4.18Å; L665-F725 HydrophobicContact CB-CE1 3.77Å; L665-F725 HydrophobicContact CB-CZ 4.27Å; L665-F725 WeakPolarHBondContact O-CZ 3.5Å; L665-Y727 HydrophobicContact CD1-CE1 3.6Å |
| 666 | E | 89.2 | Confident | 89.9 | Confident | 28 Ų | 28 | 24.1 Ų | 24.1 | 13% | 0.131 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 172.8 | -67.2 | 176.7 | -179.4 | 0 | 0 | 111.5 | M662 K663 A669 S670 F725 S767 T769 | M662-E666 WeakPolarHBondContact O-CG 3.15Å; M662-E666 PolarHBondContact O-N 3.27Å; M662-E666 VanDerWaalsContact O-N 3.08Å; K663-E666 PolarHBondContact O-N 3.28Å; E666-A669 PolarHBondContact O-N 3.32Å; E666-S670 PolarHBondContact O-N 2.79Å; E666-F725 HydrophobicContact CB-CE2 4.49Å; E666-F725 HydrophobicContact CG-CD2 4.27Å; E666-F725 HydrophobicContact CG-CE2 3.78Å; E666-F725 HydrophobicContact CG-CZ 4.41Å; E666-S767 PolarHBondContact OE1-OG 3.28Å; E666-T769 HydrophobicContact CB-CG2 4.09Å; E666-T769 HydrophobicContact CG-CG2 3.79Å |
| 667 | T | 90.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 21.7 Ų | 21.7 | 6% | 0.055 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 175.1 | -68.6 | 0 | 0 | 0 | 0 | 112 | L598 K663 N664 S670 R671 E772 | L598-T667 HydrophobicContact CD1-CG2 4.02Å; K663-T667 PolarHBondContact O-N 2.64Å; K663-T667 PolarHBondContact O-OG1 3.11Å; N664-T667 PolarHBondContact O-N 2.97Å; T667-S670 PolarHBondContact O-N 3.2Å; T667-R671 HydrophobicContact CG2-CG 4.4Å; T667-R671 WeakPolarHBondContact O-CB 3.33Å; T667-R671 WeakPolarHBondContact O-CG 3.4Å; T667-R671 PolarHBondContact O-N 3.12Å; T667-E772 VanDerWaalsContact CG2-OE1 3.27Å; T667-E772 WeakPolarHBondContact CG2-OE1 3.4Å; T667-E772 PolarHBondContact OG1-OE1 2.95Å |
| 668 | I | 92.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 176.8 | -71.1 | 159.5 | 0 | 0 | 0 | 110 | V597 A630 Y634 N664 L665 S670 R671 M672 | V597-I668 HydrophobicContact CG1-CD1 3.99Å; A630-I668 HydrophobicContact CB-CD1 3.9Å; Y634-I668 HydrophobicContact CE2-CD1 3.89Å; N664-I668 WeakPolarHBondContact O-CB 3.39Å; N664-I668 WeakPolarHBondContact O-CD1 3.16Å; N664-I668 WeakPolarHBondContact O-CG1 3.46Å; N664-I668 PolarHBondContact O-N 3.28Å; L665-I668 PolarHBondContact O-N 3.4Å; I668-S670 VanDerWaalsContact C-N 3.33Å; I668-S670 PolarHBondContact O-N 3.38Å; I668-R671 PolarHBondContact O-N 3.16Å; I668-M672 HydrophobicContact CB-CE 4.44Å; I668-M672 HydrophobicContact CG2-CE 4.07Å; I668-M672 HydrophobicContact CG2-CG 4.46Å; I668-M672 WeakPolarHBondContact O-CB 3.42Å; I668-M672 PolarHBondContact O-N 3.03Å |
| 669 | A | 90.2 | Very high | 88 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L665 E666 G673 N693 F725 | L665-A669 WeakPolarHBondContact O-CB 3.07Å; L665-A669 PolarHBondContact O-N 3.29Å; E666-A669 PolarHBondContact O-N 3.32Å; A669-G673 WeakPolarHBondContact O-CA 3.48Å; A669-G673 PolarHBondContact O-N 3.34Å; A669-N693 WeakPolarHBondContact CA-ND2 3.21Å; A669-N693 HydrophobicContact CB-CB 4.45Å; A669-N693 PolarHBondContact O-ND2 3.34Å; A669-F725 HydrophobicContact CB-CE1 4.44Å; A669-F725 HydrophobicContact CB-CE2 4.48Å; A669-F725 HydrophobicContact CB-CZ 3.62Å |
| 670 | S | 87.4 | Confident | 87.5 | Confident | 23 Ų | 23 | 42 Ų | 42 | 16% | 0.161 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 176.7 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | E666 T667 I668 S674 L721 E772 | E666-S670 PolarHBondContact O-N 2.79Å; T667-S670 PolarHBondContact O-N 3.2Å; I668-S670 VanDerWaalsContact C-N 3.33Å; I668-S670 PolarHBondContact O-N 3.38Å; S670-S674 PolarHBondContact O-N 2.79Å; S670-L721 WeakPolarHBondContact O-CD1 3.11Å; S670-E772 VanDerWaalsContact OG-CB 3.31Å; S670-E772 WeakPolarHBondContact OG-CB 3.49Å; S670-E772 PolarHBondContact OG-N 3.13Å |
| 671 | R | 89 | Confident | 87.2 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 22% | 0.223 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.3 | -52.8 | -178.1 | -72.9 | 177.3 | -168.8 | -73.3 | -21.5 | 111.6 | Y605 T667 I668 G673 S674 E772 | Y605-R671 HydrophobicContact CD2-CB 3.93Å; Y605-R671 HydrophobicContact CD2-CG 4.35Å; Y605-R671 HydrophobicContact CG-CB 4.37Å; T667-R671 HydrophobicContact CG2-CG 4.4Å; T667-R671 WeakPolarHBondContact O-CB 3.33Å; T667-R671 WeakPolarHBondContact O-CG 3.4Å; T667-R671 PolarHBondContact O-N 3.12Å; I668-R671 PolarHBondContact O-N 3.16Å; R671-G673 VanDerWaalsContact C-N 3.29Å; R671-G673 PolarHBondContact O-N 2.87Å; R671-S674 WeakPolarHBondContact O-CB 3.27Å; R671-S674 PolarHBondContact O-N 2.88Å; R671-S674 PolarHBondContact O-OG 3.1Å; R671-E772 IonicContact CZ-OE2 3.52Å; R671-E772 IonicContact NE-OE2 3.67Å; R671-E772 IonicContact NH2-OE1 3.64Å; R671-E772 IonicContact NH2-OE2 2.9Å; R671-E772 PolarHBondContact NH2-OE2 3.49Å |
| 672 | M | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.5 | -29.2 | -179.1 | -78.7 | 20.5 | 101.8 | 0 | 0 | 111.1 | E604 A623 F626 S627 I668 S674 F675 | E604-M672 HydrophobicContact CG-SD 4.37Å; A623-M672 HydrophobicContact CB-CB 4.04Å; A623-M672 HydrophobicContact CB-CG 4.07Å; F626-M672 HydrophobicContact CD1-CE 3.98Å; F626-M672 HydrophobicContact CD1-CG 4.07Å; F626-M672 HydrophobicContact CD1-SD 4.28Å; F626-M672 HydrophobicContact CE1-CE 3.86Å; S627-M672 WeakPolarHBondContact OG-CB 3.49Å; S627-M672 VanDerWaalsContact OG-CG 3.23Å; S627-M672 WeakPolarHBondContact OG-CG 3.38Å; I668-M672 HydrophobicContact CB-CE 4.44Å; I668-M672 HydrophobicContact CG2-CE 4.07Å; I668-M672 HydrophobicContact CG2-CG 4.46Å; I668-M672 WeakPolarHBondContact O-CB 3.42Å; I668-M672 PolarHBondContact O-N 3.03Å; M672-S674 PolarHBondContact O-N 2.73Å; M672-F675 PolarHBondContact O-N 2.91Å |
| 673 | G | 87.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -30.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A669 R671 F675 I676 N693 K695 L721 | A669-G673 WeakPolarHBondContact O-CA 3.48Å; A669-G673 PolarHBondContact O-N 3.34Å; R671-G673 VanDerWaalsContact C-N 3.29Å; R671-G673 PolarHBondContact O-N 2.87Å; G673-F675 PolarHBondContact O-N 3.37Å; G673-F675 VanDerWaalsContact O-N 3.07Å; G673-I676 VanDerWaalsContact O-CB 3.29Å; G673-I676 WeakPolarHBondContact O-CB 3.36Å; G673-I676 PolarHBondContact O-N 2.77Å; G673-N693 VanDerWaalsContact CA-ND2 3.34Å; G673-N693 WeakPolarHBondContact CA-ND2 3.42Å; G673-K695 VanDerWaalsContact O-CE 3.25Å; G673-K695 WeakPolarHBondContact O-CE 3.4Å; G673-L721 VanDerWaalsContact C-CD2 3.4Å; G673-L721 WeakPolarHBondContact O-CD2 3.33Å |
| 674 | S | 85.8 | Confident | 87 | Confident | 44 Ų | 44 | 43 Ų | 43 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.7 | 175.4 | 72 | 0 | 0 | 0 | 0 | 113.2 | S670 R671 M672 K695 | S670-S674 PolarHBondContact O-N 2.79Å; R671-S674 WeakPolarHBondContact O-CB 3.27Å; R671-S674 PolarHBondContact O-N 2.88Å; R671-S674 PolarHBondContact O-OG 3.1Å; M672-S674 PolarHBondContact O-N 2.73Å; S674-K695 PolarHBondContact O-NZ 2.84Å |
| 675 | F | 90.2 | Very high | 86.9 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -3.8 | 178.3 | -52.8 | -69.3 | 0 | 0 | 0 | 114.4 | Y605 L608 K619 S620 A623 M672 G673 | Y605-F675 AromaticContact CD2-CE2 3.78Å; Y605-F675 HydrophobicContact CD2-CE2 3.78Å; Y605-F675 AromaticContact CD2-CZ 3.96Å; Y605-F675 HydrophobicContact CD2-CZ 3.96Å; Y605-F675 HydrophobicContact CE2-CE2 4.22Å; Y605-F675 HydrophobicContact CE2-CZ 4.12Å; L608-F675 HydrophobicContact CB-CD1 4.45Å; L608-F675 HydrophobicContact CB-CD2 4.43Å; L608-F675 HydrophobicContact CB-CE1 3.83Å; L608-F675 HydrophobicContact CB-CE2 3.8Å; L608-F675 HydrophobicContact CB-CZ 3.47Å; L608-F675 VanDerWaalsContact CB-CZ 3.47Å; L608-F675 HydrophobicContact CD1-CD2 3.8Å; L608-F675 HydrophobicContact CD1-CE2 3.76Å; L608-F675 HydrophobicContact CD1-CG 4.35Å; L608-F675 HydrophobicContact CD1-CZ 4.29Å; L608-F675 HydrophobicContact CG-CE2 4.45Å; K619-F675 HydrophobicContact CB-CD1 4.28Å; K619-F675 HydrophobicContact CD-CD1 4.46Å; S620-F675 VanDerWaalsContact CB-O 3.28Å; S620-F675 WeakPolarHBondContact CB-O 3.41Å; S620-F675 PolarHBondContact OG-O 2.82Å; A623-F675 HydrophobicContact CB-CB 3.94Å; A623-F675 HydrophobicContact CB-CD2 3.93Å; A623-F675 HydrophobicContact CB-CG 4.32Å; M672-F675 PolarHBondContact O-N 2.91Å; G673-F675 PolarHBondContact O-N 3.37Å; G673-F675 VanDerWaalsContact O-N 3.07Å |
| 676 | I | 87.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | trans | -62.2 | 143.1 | 174.7 | -70.2 | 173.6 | 0 | 0 | 0 | 110.3 | G673 R680 F682 N693 K695 | G673-I676 VanDerWaalsContact O-CB 3.29Å; G673-I676 WeakPolarHBondContact O-CB 3.36Å; G673-I676 PolarHBondContact O-N 2.77Å; I676-R680 HydrophobicContact CG2-CB 4.36Å; I676-R680 WeakPolarHBondContact CG2-O 3.48Å; I676-F682 HydrophobicContact CB-CZ 4.46Å; I676-F682 HydrophobicContact CD1-CD1 4.48Å; I676-F682 HydrophobicContact CD1-CD2 3.78Å; I676-F682 HydrophobicContact CD1-CE2 3.99Å; I676-F682 HydrophobicContact CD1-CG 4.04Å; I676-F682 HydrophobicContact CD1-CZ 4.43Å; I676-F682 HydrophobicContact CG1-CD1 4.11Å; I676-F682 HydrophobicContact CG1-CD2 3.68Å; I676-F682 HydrophobicContact CG1-CE1 3.82Å; I676-F682 HydrophobicContact CG1-CE2 3.37Å; I676-F682 HydrophobicContact CG1-CG 4.04Å; I676-F682 HydrophobicContact CG1-CZ 3.45Å; I676-F682 VanDerWaalsContact CG1-CZ 3.45Å; I676-N693 HydrophobicContact CD1-CB 3.99Å; I676-N693 WeakPolarHBondContact CD1-O 3.48Å; I676-K695 HydrophobicContact CB-CD 4.26Å; I676-K695 HydrophobicContact CB-CG 4.21Å; I676-K695 HydrophobicContact CG2-CB 4.44Å; I676-K695 HydrophobicContact CG2-CD 4.31Å; I676-K695 HydrophobicContact CG2-CG 4.11Å; I676-K695 VanDerWaalsContact O-CD 3.26Å; I676-K695 WeakPolarHBondContact O-CD 3.42Å; I676-K695 WeakPolarHBondContact O-CE 3.36Å; I676-K695 PolarHBondContact O-NZ 2.87Å | ||
| 677 | E | 83.2 | Confident | 86.8 | Confident | 51 Ų | 51 | 52 Ų | 52 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | trans | -85.5 | 156.3 | 175.5 | -62.1 | -179.1 | 162 | 0 | 0 | 111.4 | E617 E679 R680 | E617-E677 VanDerWaalsContact CA-OE1 3.31Å; E617-E677 WeakPolarHBondContact CA-OE1 3.25Å; E617-E677 WeakPolarHBondContact CG-OE1 3.42Å; E677-E679 PolarHBondContact O-N 2.95Å; E677-R680 HydrophobicContact CB-CB 4.34Å; E677-R680 HydrophobicContact CB-CG 4.15Å; E677-R680 PolarHBondContact O-N 3.27Å; E677-R680 IonicContact OE2-CZ 3.59Å; E677-R680 IonicContact OE2-NE 2.87Å; E677-R680 PolarHBondContact OE2-NE 3.02Å; E677-R680 IonicContact OE2-NH2 3.73Å | ||
| 678 | K | 71.5 | Confident | 86.9 | Confident | 128 Ų | 128 | 52.5 Ų | 52.5 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -10.2 | -167.3 | -167.9 | 163.6 | 176.8 | 161.9 | 0 | 115.9 | T696 D718 | K678-T696 PolarHBondContact O-OG1 2.82Å; K678-D718 IonicContact NZ-OD1 3.51Å; K678-D718 IonicContact NZ-OD2 2.68Å; K678-D718 PolarHBondContact NZ-OD2 3.1Å |
| 679 | E | 71.6 | Confident | 86.9 | Confident | 192 Ų | 192 | 52.4 Ų | 52.4 | 90% | 0.897 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 6.8 | 179.5 | -62 | 179.1 | 175.8 | 0 | 0 | 113.4 | E677 | E677-E679 PolarHBondContact O-N 2.95Š|
| 680 | R | 80.7 | Confident | 87 | Confident | 126 Ų | 126 | 54.5 Ų | 54.5 | 48% | 0.475 | 27% | 0.267 | S | S | . | . | trans | -99.7 | 157 | 177.4 | -68.4 | -166.8 | -170.9 | -142.1 | -1.1 | 110.8 | I676 E677 | I676-R680 HydrophobicContact CG2-CB 4.36Å; I676-R680 WeakPolarHBondContact CG2-O 3.48Å; E677-R680 HydrophobicContact CB-CB 4.34Å; E677-R680 HydrophobicContact CB-CG 4.15Å; E677-R680 PolarHBondContact O-N 3.27Å; E677-R680 IonicContact OE2-CZ 3.59Å; E677-R680 IonicContact OE2-NE 2.87Å; E677-R680 PolarHBondContact OE2-NE 3.02Å; E677-R680 IonicContact OE2-NH2 3.73Å | ||
| 681 | Q | 85.1 | Confident | 87.1 | Confident | 111 Ų | 111 | 53.6 Ų | 53.6 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 147.9 | 168.1 | 64.4 | -177.3 | 2.8 | 0 | 0 | 109 | N693 | Q681-N693 CarbonylContact C-O 3.42Å; Q681-N693 WeakPolarHBondContact CA-O 3.24Å; Q681-N693 WeakPolarHBondContact CB-O 3.46Å |
| 682 | F | 90 | Very high | 87.1 | Confident | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.8 | 171.5 | -58.8 | -21.6 | 0 | 0 | 0 | 108.7 | S620 A623 E624 I676 F684 V692 N693 | S620-F682 WeakPolarHBondContact O-CZ 3.34Å; A623-F682 HydrophobicContact CB-CE2 4.13Å; A623-F682 HydrophobicContact CB-CZ 4.36Å; E624-F682 HydrophobicContact CB-CD1 3.8Å; E624-F682 HydrophobicContact CB-CD2 4.3Å; E624-F682 HydrophobicContact CB-CE1 3.66Å; E624-F682 HydrophobicContact CB-CE2 4.16Å; E624-F682 HydrophobicContact CB-CG 4.14Å; E624-F682 HydrophobicContact CB-CZ 3.84Å; E624-F682 HydrophobicContact CG-CB 4.34Å; E624-F682 HydrophobicContact CG-CD1 3.67Å; E624-F682 HydrophobicContact CG-CE1 4.05Å; E624-F682 HydrophobicContact CG-CG 3.95Å; I676-F682 HydrophobicContact CB-CZ 4.46Å; I676-F682 HydrophobicContact CD1-CD1 4.48Å; I676-F682 HydrophobicContact CD1-CD2 3.78Å; I676-F682 HydrophobicContact CD1-CE2 3.99Å; I676-F682 HydrophobicContact CD1-CG 4.04Å; I676-F682 HydrophobicContact CD1-CZ 4.43Å; I676-F682 HydrophobicContact CG1-CD1 4.11Å; I676-F682 HydrophobicContact CG1-CD2 3.68Å; I676-F682 HydrophobicContact CG1-CE1 3.82Å; I676-F682 HydrophobicContact CG1-CE2 3.37Å; I676-F682 HydrophobicContact CG1-CG 4.04Å; I676-F682 HydrophobicContact CG1-CZ 3.45Å; I676-F682 VanDerWaalsContact CG1-CZ 3.45Å; F682-F684 HydrophobicContact CB-CE1 4.46Å; F682-F684 HydrophobicContact CB-CE2 3.99Å; F682-F684 HydrophobicContact CB-CZ 3.69Å; F682-F684 HydrophobicContact CG-CZ 4.44Å; F682-V692 CarbonylContact O-C 3.39Å; F682-V692 VanDerWaalsContact O-CA 3.31Å; F682-V692 WeakPolarHBondContact O-CA 3.47Å; F682-N693 HydrophobicContact CB-CB 4.27Å; F682-N693 PolarHBondContact N-O 3.22Å; F682-N693 PolarHBondContact O-N 3.34Å |
| 683 | T | 88.6 | Confident | 86.9 | Confident | 58 Ų | 58 | 53.3 Ų | 53.3 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.2 | -177.5 | -61.5 | 0 | 0 | 0 | 0 | 110 | I685 A691 V692 | T683-I685 HydrophobicContact CG2-CD1 4.29Å; T683-I685 HydrophobicContact CG2-CG1 4.12Å; T683-A691 CarbonylContact C-O 3.52Å; T683-A691 WeakPolarHBondContact CA-O 3.19Å; T683-V692 HydrophobicContact CG2-CG2 4.08Å |
| 684 | F | 90.5 | Very high | 86.8 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.1 | 179.3 | -46.2 | -59.6 | 0 | 0 | 0 | 108.8 | E624 K628 F682 E690 A691 | E624-F684 HydrophobicContact CG-CE1 4.03Å; E624-F684 HydrophobicContact CG-CZ 4.19Å; K628-F684 HydrophobicContact CB-CD1 3.88Å; K628-F684 HydrophobicContact CB-CE1 3.66Å; K628-F684 HydrophobicContact CB-CZ 4.42Å; K628-F684 HydrophobicContact CG-CD1 4.05Å; K628-F684 HydrophobicContact CG-CE1 4.29Å; F682-F684 HydrophobicContact CB-CE1 4.46Å; F682-F684 HydrophobicContact CB-CE2 3.99Å; F682-F684 HydrophobicContact CB-CZ 3.69Å; F682-F684 HydrophobicContact CG-CZ 4.44Å; F684-E690 CarbonylContact O-C 3.59Å; F684-E690 VanDerWaalsContact O-CA 3.27Å; F684-E690 WeakPolarHBondContact O-CA 3.39Å; F684-A691 HydrophobicContact CB-CB 4.44Å; F684-A691 HydrophobicContact CD2-CB 4.05Å; F684-A691 PolarHBondContact N-O 2.87Å; F684-A691 PolarHBondContact O-N 3.3Å |
| 685 | I | 89.8 | Confident | 86.3 | Confident | 123 Ų | 123 | 54.3 Ų | 54.3 | 63% | 0.631 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 104.9 | 177.8 | -57.9 | 174.5 | 0 | 0 | 0 | 106.9 | T683 E690 | T683-I685 HydrophobicContact CG2-CD1 4.29Å; T683-I685 HydrophobicContact CG2-CG1 4.12Å; I685-E690 HydrophobicContact CG2-CG 4.23Å |
| 686 | L | 92.1 | Very high | 85 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | trans | -117.1 | -175.3 | 179.5 | -56.3 | 169.3 | 0 | 0 | 0 | 110.1 | T631 A632 N635 I689 R728 | T631-L686 HydrophobicContact CG2-CD1 3.82Å; A632-L686 HydrophobicContact CB-CD1 4.46Å; N635-L686 HydrophobicContact CB-CB 4.2Å; N635-L686 HydrophobicContact CB-CD1 3.66Å; N635-L686 VanDerWaalsContact CG-CB 3.5Å; N635-L686 VanDerWaalsContact OD1-CB 3.24Å; N635-L686 WeakPolarHBondContact OD1-CB 3.44Å; L686-I689 WeakPolarHBondContact CA-O 3.29Å; L686-I689 VanDerWaalsContact CB-O 3.31Å; L686-I689 WeakPolarHBondContact CB-O 3.43Å; L686-I689 PolarHBondContact N-O 3.1Å; L686-R728 PolarHBondContact O-NH1 3.14Å; L686-R728 VanDerWaalsContact O-NH1 3.15Å | ||
| 687 | S | 88 | Confident | 83.3 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 43% | 0.427 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -67.6 | -42.9 | -176.2 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | N635 R728 | N635-S687 PolarHBondContact ND2-OG 2.67Å; N635-S687 PolarHBondContact OD1-N 2.77Å; N635-S687 PolarHBondContact OD1-OG 3.41Å; S687-R728 WeakPolarHBondContact O-CD 3.31Å; S687-R728 PolarHBondContact O-NH1 3.45Å |
| 688 | N | 91 | Very high | 81.7 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -111.7 | -22.6 | -175.3 | -57.5 | -45.1 | 0 | 0 | 0 | 113.4 | N635 L638 N639 R728 | N635-N688 PolarHBondContact O-ND2 2.8Å; N635-N688 WeakPolarHBondContact OD1-CA 3.43Å; N635-N688 WeakPolarHBondContact OD1-CB 3.33Å; N635-N688 PolarHBondContact OD1-N 3.42Å; L638-N688 HydrophobicContact CB-CB 4.02Å; L638-N688 PolarHBondContact O-ND2 2.62Å; N639-N688 PolarHBondContact N-ND2 2.75Å; N639-N688 PolarHBondContact OD1-ND2 3.15Å; N688-R728 PolarHBondContact O-N 2.92Å |
| 689 | I | 92.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.2 | -175.9 | -52.4 | -179.6 | 0 | 0 | 0 | 109.6 | T631 N635 L638 L665 L686 V726 Y727 | T631-I689 HydrophobicContact CG2-CB 4.24Å; T631-I689 HydrophobicContact CG2-CG2 3.78Å; N635-I689 HydrophobicContact CB-CD1 4.12Å; N635-I689 HydrophobicContact CB-CG1 4.24Å; N635-I689 PolarHBondContact OD1-N 3.46Å; N635-I689 VanDerWaalsContact OD1-N 3.11Å; L638-I689 HydrophobicContact CD1-CD1 3.9Å; L638-I689 HydrophobicContact CD1-CG1 3.97Å; L665-I689 HydrophobicContact CD1-CD1 3.96Å; L665-I689 HydrophobicContact CD1-CG2 4.28Å; L686-I689 WeakPolarHBondContact CA-O 3.29Å; L686-I689 VanDerWaalsContact CB-O 3.31Å; L686-I689 WeakPolarHBondContact CB-O 3.43Å; L686-I689 PolarHBondContact N-O 3.1Å; I689-V726 WeakPolarHBondContact CA-O 3.44Å; I689-Y727 HydrophobicContact CG1-CD1 4.26Å; I689-Y727 HydrophobicContact CG2-CD1 4.37Å; I689-Y727 HydrophobicContact CG2-CE1 4.28Å |
| 690 | E | 91.9 | Very high | 79.1 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 24% | 0.243 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.2 | 163.2 | -51.3 | -174.6 | 162.7 | 0 | 0 | 108.5 | F684 I685 F725 V726 R728 | F684-E690 CarbonylContact O-C 3.59Å; F684-E690 VanDerWaalsContact O-CA 3.27Å; F684-E690 WeakPolarHBondContact O-CA 3.39Å; I685-E690 HydrophobicContact CG2-CG 4.23Å; E690-F725 CarbonylContact O-C 3.52Å; E690-F725 VanDerWaalsContact O-CA 3.26Å; E690-F725 WeakPolarHBondContact O-CA 3.49Å; E690-V726 HydrophobicContact CB-CB 4.15Å; E690-V726 PolarHBondContact N-O 3.39Å; E690-V726 PolarHBondContact O-N 3.45Å; E690-R728 IonicContact OE1-CZ 3.91Å; E690-R728 IonicContact OE1-NH1 3.31Å; E690-R728 IonicContact OE1-NH2 2.78Å; E690-R728 PolarHBondContact OE1-NH2 2.9Å |
| 691 | A | 91.2 | Very high | 77.1 | Confident | 5 Ų | 5 | 60 Ų | 60 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 135 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | T683 F684 F724 F725 | T683-A691 CarbonylContact C-O 3.52Å; T683-A691 WeakPolarHBondContact CA-O 3.19Å; F684-A691 HydrophobicContact CB-CB 4.44Å; F684-A691 HydrophobicContact CD2-CB 4.05Å; F684-A691 PolarHBondContact N-O 2.87Å; F684-A691 PolarHBondContact O-N 3.3Å; A691-F724 CarbonylContact C-O 3.54Å; A691-F724 VanDerWaalsContact CA-O 3.3Å; A691-F724 WeakPolarHBondContact CA-O 3.34Å; A691-F725 HydrophobicContact CB-CD1 3.61Å; A691-F725 HydrophobicContact CB-CE1 3.81Å |
| 692 | V | 89 | Confident | 74.9 | Confident | 45 Ų | 45 | 58 Ų | 58 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.8 | 174 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | F682 T683 F724 | F682-V692 CarbonylContact O-C 3.39Å; F682-V692 VanDerWaalsContact O-CA 3.31Å; F682-V692 WeakPolarHBondContact O-CA 3.47Å; T683-V692 HydrophobicContact CG2-CG2 4.08Å; V692-F724 HydrophobicContact CB-CB 4.45Å; V692-F724 PolarHBondContact N-O 2.89Å; V692-F724 PolarHBondContact O-N 3.23Å |
| 693 | N | 88.4 | Confident | 72.6 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126 | 178.6 | -169.4 | 14.1 | 0 | 0 | 0 | 109.9 | A669 G673 I676 Q681 F682 F722 | A669-N693 WeakPolarHBondContact CA-ND2 3.21Å; A669-N693 HydrophobicContact CB-CB 4.45Å; A669-N693 PolarHBondContact O-ND2 3.34Å; G673-N693 VanDerWaalsContact CA-ND2 3.34Å; G673-N693 WeakPolarHBondContact CA-ND2 3.42Å; I676-N693 HydrophobicContact CD1-CB 3.99Å; I676-N693 WeakPolarHBondContact CD1-O 3.48Å; Q681-N693 CarbonylContact C-O 3.42Å; Q681-N693 WeakPolarHBondContact CA-O 3.24Å; Q681-N693 WeakPolarHBondContact CB-O 3.46Å; F682-N693 HydrophobicContact CB-CB 4.27Å; F682-N693 PolarHBondContact N-O 3.22Å; F682-N693 PolarHBondContact O-N 3.34Å; N693-F722 CarbonylContact C-O 3.57Å; N693-F722 VanDerWaalsContact CA-O 3.31Å; N693-F722 WeakPolarHBondContact CA-O 3.48Å; N693-F722 PolarHBondContact OD1-O 3.23Å |
| 694 | S | 83.5 | Confident | 70.2 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 148.3 | -176.2 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | T696 F722 | S694-T696 PolarHBondContact OG-N 3.47Å; S694-T696 PolarHBondContact OG-O 3.26Å; S694-F722 PolarHBondContact N-O 3.39Å; S694-F722 PolarHBondContact O-N 2.82Å |
| 695 | K | 75.7 | Confident | 67.9 | Low | 54 Ų | 54 | 64.9 Ų | 64.9 | 24% | 0.235 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -83.8 | -29.2 | 168.9 | -82.3 | -176.9 | 178.1 | 178.3 | 0 | 113.2 | G673 S674 I676 L720 L721 | G673-K695 VanDerWaalsContact O-CE 3.25Å; G673-K695 WeakPolarHBondContact O-CE 3.4Å; S674-K695 PolarHBondContact O-NZ 2.84Å; I676-K695 HydrophobicContact CB-CD 4.26Å; I676-K695 HydrophobicContact CB-CG 4.21Å; I676-K695 HydrophobicContact CG2-CB 4.44Å; I676-K695 HydrophobicContact CG2-CD 4.31Å; I676-K695 HydrophobicContact CG2-CG 4.11Å; I676-K695 VanDerWaalsContact O-CD 3.26Å; I676-K695 WeakPolarHBondContact O-CD 3.42Å; I676-K695 WeakPolarHBondContact O-CE 3.36Å; I676-K695 PolarHBondContact O-NZ 2.87Å; K695-L720 VanDerWaalsContact O-O 3.05Å; K695-L721 HydrophobicContact CB-CD2 4.47Å; K695-L721 HydrophobicContact CD-CD2 4.27Å; K695-L721 HydrophobicContact CG-CD2 3.35Å |
| 696 | T | 62.3 | Low | 65.7 | Low | 77 Ų | 77 | 66.1 Ų | 66.1 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | trans | -118.9 | 116.1 | -170.1 | -51.6 | 0 | 0 | 0 | 0 | 108.2 | K678 S694 | K678-T696 PolarHBondContact O-OG1 2.82Å; S694-T696 PolarHBondContact OG-N 3.47Å; S694-T696 PolarHBondContact OG-O 3.26Å | ||
| 697 | V | 53 | Low | 63.4 | Low | 41 Ų | 41 | 68 Ų | 68 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | trans | -133.1 | 109.6 | 173.7 | -172.7 | 0 | 0 | 0 | 0 | 107.3 | I699 F700 F722 | V697-I699 HydrophobicContact CG1-CB 3.46Å; V697-I699 VanDerWaalsContact CG1-CB 3.46Å; V697-I699 HydrophobicContact CG1-CD1 3.29Å; V697-I699 HydrophobicContact CG1-CG1 3.26Å; V697-I699 PolarHBondContact O-N 2.82Å; V697-F700 PolarHBondContact O-N 3.4Å; V697-F722 HydrophobicContact CB-CD2 4.12Å; V697-F722 HydrophobicContact CB-CE2 4.36Å; V697-F722 HydrophobicContact CB-CG 4.4Å; V697-F722 HydrophobicContact CG2-CB 3.82Å; V697-F722 HydrophobicContact CG2-CD1 4.49Å; V697-F722 HydrophobicContact CG2-CD2 3.62Å; V697-F722 HydrophobicContact CG2-CE2 4.34Å; V697-F722 HydrophobicContact CG2-CG 3.71Å | ||
| 698 | D | 49 | Very low | 61.3 | Low | 127 Ų | 127 | 67.5 Ų | 67.5 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -53.8 | -15.4 | 173.2 | -90.1 | -44.5 | 0 | 0 | 0 | 113 | F700 R701 | D698-F700 PolarHBondContact O-N 2.76Å; D698-R701 IonicContact OD1-NH1 3.44Å; D698-R701 PolarHBondContact OD1-NH1 2.82Å |
| 699 | I | 47.4 | Very low | 59.1 | Low | 136 Ų | 136 | 69.4 Ų | 69.4 | 70% | 0.697 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -59.4 | -24.4 | 179.1 | -54.4 | 172.3 | 0 | 0 | 0 | 112.4 | V697 | V697-I699 HydrophobicContact CG1-CB 3.46Å; V697-I699 VanDerWaalsContact CG1-CB 3.46Å; V697-I699 HydrophobicContact CG1-CD1 3.29Å; V697-I699 HydrophobicContact CG1-CG1 3.26Å; V697-I699 PolarHBondContact O-N 2.82Å |
| 700 | F | 41.9 | Very low | 56.8 | Low | 45 Ų | 45 | 75.6 Ų | 75.6 | 20% | 0.197 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -115.8 | 19.7 | -169.4 | -72.1 | -77.8 | 0 | 0 | 0 | 116.3 | V697 D698 G702 V703 F722 L779 L834 | V697-F700 PolarHBondContact O-N 3.4Å; D698-F700 PolarHBondContact O-N 2.76Å; F700-G702 PolarHBondContact O-N 3.25Å; F700-V703 HydrophobicContact CD1-CB 3.57Å; F700-V703 HydrophobicContact CD1-CG1 4.09Å; F700-V703 HydrophobicContact CD1-CG2 3.35Å; F700-V703 HydrophobicContact CE1-CB 4.2Å; F700-V703 HydrophobicContact CE1-CG1 4.31Å; F700-V703 HydrophobicContact CE1-CG2 3.79Å; F700-V703 HydrophobicContact CG-CG2 4.49Å; F700-V703 PolarHBondContact O-N 3.48Å; F700-F722 HydrophobicContact CB-CZ 4.24Å; F700-F722 HydrophobicContact CD2-CD1 4.14Å; F700-F722 AromaticContact CD2-CE1 3.22Å; F700-F722 HydrophobicContact CD2-CE1 3.22Å; F700-F722 HydrophobicContact CD2-CE2 4.29Å; F700-F722 AromaticContact CD2-CZ 3.32Å; F700-F722 HydrophobicContact CD2-CZ 3.32Å; F700-F722 AromaticContact CE2-CD1 3.89Å; F700-F722 HydrophobicContact CE2-CD1 3.89Å; F700-F722 AromaticContact CE2-CE1 3.17Å; F700-F722 HydrophobicContact CE2-CE1 3.17Å; F700-F722 AromaticContact CE2-CZ 3.81Å; F700-F722 HydrophobicContact CE2-CZ 3.81Å; F700-F722 HydrophobicContact CG-CE1 4.07Å; F700-F722 AromaticContact CG-CZ 3.85Å; F700-F722 HydrophobicContact CG-CZ 3.85Å; F700-F722 AromaticContact CZ-CE1 3.97Å; F700-F722 HydrophobicContact CZ-CE1 3.97Å; F700-L779 HydrophobicContact CE1-CD2 4.01Å; F700-L834 HydrophobicContact CZ-CD1 4.48Å |
| 701 | R | 39.1 | Very low | 54.7 | Low | 224 Ų | 224 | 82.2 Ų | 82.2 | 85% | 0.845 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 88.1 | 160.5 | -86.8 | -170.6 | 174.9 | 126.5 | -3.8 | 109.1 | D698 | D698-R701 IonicContact OD1-NH1 3.44Å; D698-R701 PolarHBondContact OD1-NH1 2.82Å |
| 702 | G | 38 | Very low | 52.4 | Low | 70 Ų | 70 | 85.9 Ų | 85.9 | 72% | 0.722 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 139.1 | -7.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | F700 | F700-G702 PolarHBondContact O-N 3.25Š|
| 703 | V | 41.6 | Very low | 50.4 | Low | 46 Ų | 46 | 85.4 Ų | 85.4 | 28% | 0.279 | 48% | 0.477 | S | S | . | . | trans | -94 | 123.9 | -180 | 176.6 | 0 | 0 | 0 | 0 | 111 | F700 P705 L779 | F700-V703 HydrophobicContact CD1-CB 3.57Å; F700-V703 HydrophobicContact CD1-CG1 4.09Å; F700-V703 HydrophobicContact CD1-CG2 3.35Å; F700-V703 HydrophobicContact CE1-CB 4.2Å; F700-V703 HydrophobicContact CE1-CG1 4.31Å; F700-V703 HydrophobicContact CE1-CG2 3.79Å; F700-V703 HydrophobicContact CG-CG2 4.49Å; F700-V703 PolarHBondContact O-N 3.48Å; V703-P705 WeakPolarHBondContact O-CD 3.41Å; V703-L779 HydrophobicContact CG1-CD2 3.98Å | ||
| 704 | K | 38.9 | Very low | 48.4 | Very low | 135 Ų | 135 | 93.4 Ų | 93.4 | 59% | 0.587 | 51% | 0.514 | S | S | * | . | trans | -93.4 | 107.4 | 174.2 | -68.4 | -168.4 | 176.4 | -153 | 0 | 109.9 | D710 T780 | K704-D710 IonicContact NZ-OD1 3.15Å; K704-D710 PolarHBondContact NZ-OD1 2.95Å; K704-D710 VanDerWaalsContact NZ-OD1 3.15Å; K704-T780 PolarHBondContact O-OG1 2.78Å; K704-T780 VanDerWaalsContact O-OG1 3.09Å | ||
| 705 | P | 42.3 | Very low | 46.7 | Very low | 39 Ų | 39 | 99.6 Ų | 99.6 | 25% | 0.253 | 54% | 0.542 | S | S | . | . | trans | -63.8 | 140.6 | 172 | -14.6 | 28.7 | 0 | 0 | 0 | 110.3 | V703 G707 V708 | V703-P705 WeakPolarHBondContact O-CD 3.41Å; P705-G707 PolarHBondContact O-N 2.02Å; P705-V708 HydrophobicContact CB-CG2 4.18Å; P705-V708 HydrophobicContact CG-CG2 4.43Å | ||
| 706 | Q | 42.2 | Very low | 45.5 | Very low | 148 Ų | 148 | 99.4 Ų | 99.4 | 69% | 0.692 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 122.5 | 176 | -138.1 | 170.4 | 10.1 | 0 | 0 | 109.6 | ||
| 707 | G | 44.3 | Very low | 45.2 | Very low | 85 Ų | 85 | 100.1 Ų | 100.1 | 88% | 0.876 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.1 | 2.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | P705 | P705-G707 PolarHBondContact O-N 2.02Š|
| 708 | V | 44.4 | Very low | 45.3 | Very low | 51 Ų | 51 | 102.6 Ų | 102.6 | 31% | 0.309 | 56% | 0.555 | S | S | . | * | trans | -100.8 | 122.7 | 174 | -175 | 0 | 0 | 0 | 0 | 109.4 | P705 D712 N716 | P705-V708 HydrophobicContact CB-CG2 4.18Å; P705-V708 HydrophobicContact CG-CG2 4.43Å; V708-D712 HydrophobicContact CG1-CB 4.4Å; V708-N716 HydrophobicContact CG1-CB 4.31Å | ||
| 709 | A | 43.8 | Very low | 45.9 | Very low | 59 Ų | 59 | 104.3 Ų | 104.3 | 49% | 0.488 | 55% | 0.552 | S | S | . | * | trans | -70.4 | 150.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E711 D712 A713 | A709-E711 PolarHBondContact O-N 2.9Å; A709-D712 PolarHBondContact O-N 3.32Å; A709-A713 PolarHBondContact O-N 3.46Å | ||
| 710 | D | 44.9 | Very low | 47 | Very low | 130 Ų | 130 | 99.2 Ų | 99.2 | 70% | 0.695 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -58.1 | -31.6 | -173.8 | -125.8 | 16 | 0 | 0 | 0 | 112.8 | K704 D712 | K704-D710 IonicContact NZ-OD1 3.15Å; K704-D710 PolarHBondContact NZ-OD1 2.95Å; K704-D710 VanDerWaalsContact NZ-OD1 3.15Å; D710-D712 VanDerWaalsContact C-N 3.34Å |
| 711 | E | 48.4 | Very low | 48.7 | Very low | 190 Ų | 190 | 97.9 Ų | 97.9 | 89% | 0.888 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -74.1 | -22.3 | 179.3 | -69 | -174.2 | 168 | 0 | 0 | 113.3 | A709 | A709-E711 PolarHBondContact O-N 2.9Š|
| 712 | D | 43 | Very low | 50.7 | Low | 83 Ų | 83 | 88.6 Ų | 88.6 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -102.1 | -0.7 | -178.3 | -58.8 | -40.5 | 0 | 0 | 0 | 112.9 | V708 A709 D710 N716 | V708-D712 HydrophobicContact CG1-CB 4.4Å; A709-D712 PolarHBondContact O-N 3.32Å; D710-D712 VanDerWaalsContact C-N 3.34Å; D712-N716 VanDerWaalsContact CB-ND2 3.34Å; D712-N716 WeakPolarHBondContact CB-ND2 3.47Å; D712-N716 WeakPolarHBondContact O-CB 3.34Å; D712-N716 VanDerWaalsContact O-CG 3.28Å; D712-N716 PolarHBondContact O-N 2.99Å; D712-N716 PolarHBondContact O-ND2 3.24Å; D712-N716 VanDerWaalsContact O-ND2 3.11Å |
| 713 | A | 46.9 | Very low | 52.9 | Low | 35 Ų | 35 | 85.6 Ų | 85.6 | 29% | 0.289 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A709 N716 I717 | A709-A713 PolarHBondContact O-N 3.46Å; A713-N716 PolarHBondContact O-N 3.41Å; A713-I717 VanDerWaalsContact O-CD1 3.3Å; A713-I717 WeakPolarHBondContact O-CD1 3.49Å; A713-I717 WeakPolarHBondContact O-CG1 3.24Å; A713-I717 PolarHBondContact O-N 2.76Å |
| 714 | E | 46 | Very low | 55.1 | Low | 175 Ų | 175 | 87.6 Ų | 87.6 | 82% | 0.818 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.6 | -43.2 | 179.7 | -96 | 178.6 | 167.6 | 0 | 0 | 112.7 | N716 | E714-N716 VanDerWaalsContact C-N 3.35Å |
| 715 | E | 47.2 | Very low | 57.6 | Low | 142 Ų | 142 | 81.4 Ų | 81.4 | 66% | 0.664 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -70 | -30.5 | 176.9 | -106.8 | -168.1 | 176.9 | 0 | 0 | 112.7 | ||
| 716 | N | 51.4 | Low | 59.9 | Low | 49 Ų | 49 | 80.1 Ų | 80.1 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -81.6 | -25 | 179.7 | -77.8 | -36 | 0 | 0 | 0 | 113.9 | V708 D712 A713 E714 D718 R719 | V708-N716 HydrophobicContact CG1-CB 4.31Å; D712-N716 VanDerWaalsContact CB-ND2 3.34Å; D712-N716 WeakPolarHBondContact CB-ND2 3.47Å; D712-N716 WeakPolarHBondContact O-CB 3.34Å; D712-N716 VanDerWaalsContact O-CG 3.28Å; D712-N716 PolarHBondContact O-N 2.99Å; D712-N716 PolarHBondContact O-ND2 3.24Å; D712-N716 VanDerWaalsContact O-ND2 3.11Å; A713-N716 PolarHBondContact O-N 3.41Å; E714-N716 VanDerWaalsContact C-N 3.35Å; N716-D718 VanDerWaalsContact C-N 3.28Å; N716-D718 PolarHBondContact O-N 2.85Å; N716-R719 WeakPolarHBondContact O-CB 3.31Å; N716-R719 PolarHBondContact O-N 3.45Å |
| 717 | I | 55 | Low | 62.2 | Low | 93 Ų | 93 | 73.1 Ų | 73.1 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 177 | -73.1 | 158.2 | 0 | 0 | 0 | 110.8 | A713 R719 L720 | A713-I717 VanDerWaalsContact O-CD1 3.3Å; A713-I717 WeakPolarHBondContact O-CD1 3.49Å; A713-I717 WeakPolarHBondContact O-CG1 3.24Å; A713-I717 PolarHBondContact O-N 2.76Å; I717-R719 PolarHBondContact O-N 2.87Å; I717-L720 HydrophobicContact CG1-CD1 4.48Å; I717-L720 PolarHBondContact O-N 3.19Å; I717-L720 VanDerWaalsContact O-N 3.14Å |
| 718 | D | 56.2 | Low | 64.2 | Low | 92 Ų | 92 | 72.9 Ų | 72.9 | 49% | 0.492 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -11.1 | 175.8 | -93.2 | 1.9 | 0 | 0 | 0 | 113.4 | K678 N716 | K678-D718 IonicContact NZ-OD1 3.51Å; K678-D718 IonicContact NZ-OD2 2.68Å; K678-D718 PolarHBondContact NZ-OD2 3.1Å; N716-D718 VanDerWaalsContact C-N 3.28Å; N716-D718 PolarHBondContact O-N 2.85Å |
| 719 | R | 62 | Low | 65.5 | Low | 164 Ų | 164 | 78.1 Ų | 78.1 | 62% | 0.619 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 2.8 | 178.8 | -65.6 | -178.5 | 168.4 | 155.7 | 1.5 | 114 | N716 I717 L721 N771 | N716-R719 WeakPolarHBondContact O-CB 3.31Å; N716-R719 PolarHBondContact O-N 3.45Å; I717-R719 PolarHBondContact O-N 2.87Å; R719-L721 PolarHBondContact O-N 3.4Å; R719-N771 PolarHBondContact O-ND2 2.88Å |
| 720 | L | 70.5 | Confident | 67.2 | Low | 29 Ų | 29 | 75.3 Ų | 75.3 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | trans | -79 | 118.4 | 178.7 | -67.1 | 170.2 | 0 | 0 | 0 | 110.5 | K695 I717 F722 V770 | K695-L720 VanDerWaalsContact O-O 3.05Å; I717-L720 HydrophobicContact CG1-CD1 4.48Å; I717-L720 PolarHBondContact O-N 3.19Å; I717-L720 VanDerWaalsContact O-N 3.14Å; L720-F722 HydrophobicContact CB-CD2 4.44Å; L720-F722 HydrophobicContact CB-CE2 3.69Å; L720-F722 HydrophobicContact CB-CZ 4.25Å; L720-V770 HydrophobicContact CB-CG1 4.34Å; L720-V770 HydrophobicContact CD2-CG1 3.77Å | ||
| 721 | L | 77.7 | Confident | 69 | Low | 16 Ų | 16 | 69.1 Ų | 69.1 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | trans | -100.1 | 126.1 | 172.9 | -66 | 163.8 | 0 | 0 | 0 | 109.9 | S670 G673 K695 R719 V770 N771 | S670-L721 WeakPolarHBondContact O-CD1 3.11Å; G673-L721 VanDerWaalsContact C-CD2 3.4Å; G673-L721 WeakPolarHBondContact O-CD2 3.33Å; K695-L721 HydrophobicContact CB-CD2 4.47Å; K695-L721 HydrophobicContact CD-CD2 4.27Å; K695-L721 HydrophobicContact CG-CD2 3.35Å; R719-L721 PolarHBondContact O-N 3.4Å; L721-V770 VanDerWaalsContact O-CA 3.29Å; L721-V770 WeakPolarHBondContact O-CA 3.28Å; L721-N771 VanDerWaalsContact CB-OD1 3.29Å; L721-N771 WeakPolarHBondContact CB-OD1 3.33Å; L721-N771 PolarHBondContact N-OD1 3.16Å; L721-N771 PolarHBondContact O-N 3.47Å | ||
| 722 | F | 79.4 | Confident | 70.4 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.8 | -179.8 | -71.3 | -89.6 | 0 | 0 | 0 | 110.4 | N693 S694 V697 F700 L720 V770 | N693-F722 CarbonylContact C-O 3.57Å; N693-F722 VanDerWaalsContact CA-O 3.31Å; N693-F722 WeakPolarHBondContact CA-O 3.48Å; N693-F722 PolarHBondContact OD1-O 3.23Å; S694-F722 PolarHBondContact N-O 3.39Å; S694-F722 PolarHBondContact O-N 2.82Å; V697-F722 HydrophobicContact CB-CD2 4.12Å; V697-F722 HydrophobicContact CB-CE2 4.36Å; V697-F722 HydrophobicContact CB-CG 4.4Å; V697-F722 HydrophobicContact CG2-CB 3.82Å; V697-F722 HydrophobicContact CG2-CD1 4.49Å; V697-F722 HydrophobicContact CG2-CD2 3.62Å; V697-F722 HydrophobicContact CG2-CE2 4.34Å; V697-F722 HydrophobicContact CG2-CG 3.71Å; F700-F722 HydrophobicContact CB-CZ 4.24Å; F700-F722 HydrophobicContact CD2-CD1 4.14Å; F700-F722 AromaticContact CD2-CE1 3.22Å; F700-F722 HydrophobicContact CD2-CE1 3.22Å; F700-F722 HydrophobicContact CD2-CE2 4.29Å; F700-F722 AromaticContact CD2-CZ 3.32Å; F700-F722 HydrophobicContact CD2-CZ 3.32Å; F700-F722 AromaticContact CE2-CD1 3.89Å; F700-F722 HydrophobicContact CE2-CD1 3.89Å; F700-F722 AromaticContact CE2-CE1 3.17Å; F700-F722 HydrophobicContact CE2-CE1 3.17Å; F700-F722 AromaticContact CE2-CZ 3.81Å; F700-F722 HydrophobicContact CE2-CZ 3.81Å; F700-F722 HydrophobicContact CG-CE1 4.07Å; F700-F722 AromaticContact CG-CZ 3.85Å; F700-F722 HydrophobicContact CG-CZ 3.85Å; F700-F722 AromaticContact CZ-CE1 3.97Å; F700-F722 HydrophobicContact CZ-CE1 3.97Å; L720-F722 HydrophobicContact CB-CD2 4.44Å; L720-F722 HydrophobicContact CB-CE2 3.69Å; L720-F722 HydrophobicContact CB-CZ 4.25Å; F722-V770 HydrophobicContact CD1-CB 4.49Å; F722-V770 HydrophobicContact CD1-CG2 3.43Å; F722-V770 VanDerWaalsContact CD1-CG2 3.43Å; F722-V770 HydrophobicContact CE1-CB 4.3Å; F722-V770 HydrophobicContact CE1-CG1 4.11Å; F722-V770 HydrophobicContact CE1-CG2 3.24Å; F722-V770 HydrophobicContact CG-CG2 4.38Å; F722-V770 HydrophobicContact CZ-CG1 4.18Å; F722-V770 HydrophobicContact CZ-CG2 4.12Å |
| 723 | G | 85.3 | Confident | 72.1 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 6% | 0.062 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A768 T769 | G723-A768 WeakPolarHBondContact O-CA 3.46Å; G723-T769 PolarHBondContact N-O 2.78Å; G723-T769 PolarHBondContact O-N 2.7Å |
| 724 | F | 88.3 | Confident | 73.7 | Confident | 89 Ų | 89 | 60.8 Ų | 60.8 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.2 | 173.1 | -177 | -97.5 | 0 | 0 | 0 | 109.6 | A691 V692 V726 V766 S767 A768 | A691-F724 CarbonylContact C-O 3.54Å; A691-F724 VanDerWaalsContact CA-O 3.3Å; A691-F724 WeakPolarHBondContact CA-O 3.34Å; V692-F724 HydrophobicContact CB-CB 4.45Å; V692-F724 PolarHBondContact N-O 2.89Å; V692-F724 PolarHBondContact O-N 3.23Å; F724-V726 HydrophobicContact CD1-CG2 4.26Å; F724-V726 HydrophobicContact CE1-CG2 3.43Å; F724-V726 VanDerWaalsContact CE1-CG2 3.43Å; F724-V726 HydrophobicContact CZ-CG2 3.95Å; F724-V766 HydrophobicContact CD2-CG1 4.28Å; F724-V766 HydrophobicContact CE1-CG1 4.38Å; F724-V766 HydrophobicContact CE2-CG1 3.29Å; F724-V766 HydrophobicContact CZ-CG1 3.36Å; F724-S767 CarbonylContact C-O 3.59Å; F724-S767 WeakPolarHBondContact CA-O 3.41Å; F724-A768 HydrophobicContact CD2-CB 4.5Å |
| 725 | F | 91 | Very high | 75.5 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.3 | -176.5 | -55 | -90.3 | 0 | 0 | 0 | 110.7 | L665 E666 A669 E690 A691 Y727 V766 S767 T769 | L665-F725 HydrophobicContact CB-CD1 4.18Å; L665-F725 HydrophobicContact CB-CE1 3.77Å; L665-F725 HydrophobicContact CB-CZ 4.27Å; L665-F725 WeakPolarHBondContact O-CZ 3.5Å; E666-F725 HydrophobicContact CB-CE2 4.49Å; E666-F725 HydrophobicContact CG-CD2 4.27Å; E666-F725 HydrophobicContact CG-CE2 3.78Å; E666-F725 HydrophobicContact CG-CZ 4.41Å; A669-F725 HydrophobicContact CB-CE1 4.44Å; A669-F725 HydrophobicContact CB-CE2 4.48Å; A669-F725 HydrophobicContact CB-CZ 3.62Å; E690-F725 CarbonylContact O-C 3.52Å; E690-F725 VanDerWaalsContact O-CA 3.26Å; E690-F725 WeakPolarHBondContact O-CA 3.49Å; A691-F725 HydrophobicContact CB-CD1 3.61Å; A691-F725 HydrophobicContact CB-CE1 3.81Å; F725-Y727 HydrophobicContact CB-CE1 4.41Å; F725-Y727 HydrophobicContact CB-CE2 3.89Å; F725-V766 CarbonylContact O-C 3.54Å; F725-V766 WeakPolarHBondContact O-CA 3.25Å; F725-S767 PolarHBondContact N-O 3.4Å; F725-S767 PolarHBondContact O-N 3.14Å; F725-T769 HydrophobicContact CE2-CG2 3.98Å |
| 726 | V | 90.7 | Very high | 76.7 | Confident | 12 Ų | 12 | 52 Ų | 52 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.6 | 169.8 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | I689 E690 F724 E764 V766 | I689-V726 WeakPolarHBondContact CA-O 3.44Å; E690-V726 HydrophobicContact CB-CB 4.15Å; E690-V726 PolarHBondContact N-O 3.39Å; E690-V726 PolarHBondContact O-N 3.45Å; F724-V726 HydrophobicContact CD1-CG2 4.26Å; F724-V726 HydrophobicContact CE1-CG2 3.43Å; F724-V726 VanDerWaalsContact CE1-CG2 3.43Å; F724-V726 HydrophobicContact CZ-CG2 3.95Å; V726-E764 HydrophobicContact CG1-CB 4.15Å; V726-V766 HydrophobicContact CG1-CG2 4.38Å; V726-V766 HydrophobicContact CG2-CG2 4.35Å |
| 727 | Y | 90.7 | Very high | 77 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.2 | 174.6 | -49.1 | -76 | 0 | 0 | 0 | 109.4 | M662 L665 I689 F725 I731 E764 V765 | M662-Y727 WeakPolarHBondContact CA-OH 3.06Å; M662-Y727 HydrophobicContact CB-CE2 4.26Å; M662-Y727 HydrophobicContact CG-CD2 4.28Å; M662-Y727 HydrophobicContact CG-CE1 4.27Å; M662-Y727 HydrophobicContact CG-CE2 3.69Å; M662-Y727 HydrophobicContact SD-CD2 4.13Å; M662-Y727 HydrophobicContact SD-CE2 3.88Å; L665-Y727 HydrophobicContact CD1-CE1 3.6Å; I689-Y727 HydrophobicContact CG1-CD1 4.26Å; I689-Y727 HydrophobicContact CG2-CD1 4.37Å; I689-Y727 HydrophobicContact CG2-CE1 4.28Å; F725-Y727 HydrophobicContact CB-CE1 4.41Å; F725-Y727 HydrophobicContact CB-CE2 3.89Å; Y727-I731 HydrophobicContact CD1-CD1 3.24Å; Y727-I731 HydrophobicContact CD2-CD1 4.28Å; Y727-I731 HydrophobicContact CE1-CD1 3.72Å; Y727-I731 HydrophobicContact CG-CB 4.36Å; Y727-I731 HydrophobicContact CG-CD1 3.55Å; Y727-I731 HydrophobicContact CG-CG2 4.28Å; Y727-E764 WeakPolarHBondContact O-CB 3.41Å; Y727-V765 HydrophobicContact CD2-CB 4.18Å; Y727-V765 HydrophobicContact CD2-CG1 4.12Å; Y727-V765 PolarHBondContact N-O 3.16Å; Y727-V765 PolarHBondContact O-N 3.02Å |
| 728 | R | 85 | Confident | 77.1 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 31% | 0.306 | 23% | 0.227 | S | C | . | . | trans | -78.3 | -151.3 | 177.1 | -57.9 | -154.3 | 172.4 | 111.2 | -1.6 | 111.2 | L686 S687 N688 E690 G730 E764 | L686-R728 PolarHBondContact O-NH1 3.14Å; L686-R728 VanDerWaalsContact O-NH1 3.15Å; S687-R728 WeakPolarHBondContact O-CD 3.31Å; S687-R728 PolarHBondContact O-NH1 3.45Å; N688-R728 PolarHBondContact O-N 2.92Å; E690-R728 IonicContact OE1-CZ 3.91Å; E690-R728 IonicContact OE1-NH1 3.31Å; E690-R728 IonicContact OE1-NH2 2.78Å; E690-R728 PolarHBondContact OE1-NH2 2.9Å; R728-G730 VanDerWaalsContact C-N 3.3Å; R728-G730 PolarHBondContact O-N 2.72Å; R728-G730 VanDerWaalsContact O-N 3.16Å; R728-E764 WeakPolarHBondContact CD-OE1 3.28Å; R728-E764 VanDerWaalsContact CG-OE1 3.3Å; R728-E764 WeakPolarHBondContact CG-OE1 3.17Å; R728-E764 IonicContact NE-OE1 3.91Å; R728-E764 PolarHBondContact NE-OE1 3.23Å | ||
| 729 | R | 73.2 | Confident | 76.7 | Confident | 160 Ų | 160 | 50.9 Ų | 50.9 | 60% | 0.604 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -52.1 | -39.5 | -171.9 | -74.5 | -173.7 | 177.6 | 142.6 | -0.7 | 115 | I731 S732 E733 | R729-I731 PolarHBondContact O-N 3.11Å; R729-S732 WeakPolarHBondContact CA-OG 3.38Å; R729-S732 PolarHBondContact O-N 2.91Å; R729-S732 PolarHBondContact O-OG 2.02Å; R729-E733 PolarHBondContact O-N 2.78Å; R729-E733 VanDerWaalsContact O-N 3.1Å |
| 730 | G | 77.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -46.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R728 L734 | R728-G730 VanDerWaalsContact C-N 3.3Å; R728-G730 PolarHBondContact O-N 2.72Å; R728-G730 VanDerWaalsContact O-N 3.16Å; G730-L734 WeakPolarHBondContact O-CD1 3.44Å; G730-L734 VanDerWaalsContact O-CG 3.29Å; G730-L734 WeakPolarHBondContact O-CG 3.13Å |
| 731 | I | 84.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -77.8 | -37.7 | 179 | -90.7 | 164.5 | 0 | 0 | 0 | 112.1 | L638 I661 M662 Y727 R729 E733 L734 L735 V765 | L638-I731 HydrophobicContact CD1-CD1 3.56Å; L638-I731 HydrophobicContact CD1-CG1 3.72Å; L638-I731 HydrophobicContact CD2-CD1 4.45Å; L638-I731 HydrophobicContact CD2-CG1 3.82Å; L638-I731 HydrophobicContact CG-CG1 4.44Å; I661-I731 HydrophobicContact CG2-CD1 4.38Å; M662-I731 HydrophobicContact CG-CD1 3.9Å; M662-I731 HydrophobicContact SD-CG2 4.1Å; Y727-I731 HydrophobicContact CD1-CD1 3.24Å; Y727-I731 HydrophobicContact CD2-CD1 4.28Å; Y727-I731 HydrophobicContact CE1-CD1 3.72Å; Y727-I731 HydrophobicContact CG-CB 4.36Å; Y727-I731 HydrophobicContact CG-CD1 3.55Å; Y727-I731 HydrophobicContact CG-CG2 4.28Å; R729-I731 PolarHBondContact O-N 3.11Å; I731-E733 PolarHBondContact O-N 3.3Å; I731-L734 PolarHBondContact O-N 2.74Å; I731-L734 VanDerWaalsContact O-N 3.07Å; I731-L735 HydrophobicContact CG2-CD1 3.63Å; I731-L735 HydrophobicContact CG2-CG 4.12Å; I731-L735 WeakPolarHBondContact O-CG 3.39Å; I731-L735 PolarHBondContact O-N 3.23Å; I731-V765 HydrophobicContact CG2-CB 4.34Å; I731-V765 HydrophobicContact CG2-CG2 4.11Å |
| 732 | S | 76.9 | Confident | 71.7 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -30.5 | -179.1 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | R729 | R729-S732 WeakPolarHBondContact CA-OG 3.38Å; R729-S732 PolarHBondContact O-N 2.91Å; R729-S732 PolarHBondContact O-OG 2.02Å |
| 733 | E | 78 | Confident | 69.6 | Low | 104 Ų | 104 | 60.6 Ų | 60.6 | 49% | 0.486 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -73.5 | -26.9 | 173.9 | -72.9 | -169.1 | -169.6 | 0 | 0 | 114.4 | R729 I731 K736 | R729-E733 PolarHBondContact O-N 2.78Å; R729-E733 VanDerWaalsContact O-N 3.1Å; I731-E733 PolarHBondContact O-N 3.3Å; E733-K736 WeakPolarHBondContact O-CE 3.04Å; E733-K736 VanDerWaalsContact O-CG 3.27Å; E733-K736 WeakPolarHBondContact O-CG 3.24Å |
| 734 | L | 82.4 | Confident | 66.9 | Low | 19 Ų | 19 | 63.6 Ų | 63.6 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -85.2 | -33.7 | -178.5 | -65.4 | 170.4 | 0 | 0 | 0 | 112.2 | L638 L643 W646 L654 A658 G730 I731 K736 | L638-L734 HydrophobicContact CD2-CD1 3.88Å; L643-L734 HydrophobicContact CD2-CD1 4.16Å; L643-L734 HydrophobicContact CD2-CD2 4.3Å; L643-L734 HydrophobicContact CD2-CG 4.21Å; W646-L734 HydrophobicContact CB-CD2 3.74Å; W646-L734 HydrophobicContact CD2-CD1 3.62Å; W646-L734 HydrophobicContact CD2-CD2 3.68Å; W646-L734 HydrophobicContact CD2-CG 4.32Å; W646-L734 HydrophobicContact CE3-CD1 3.75Å; W646-L734 HydrophobicContact CE3-CD2 3.69Å; W646-L734 HydrophobicContact CE3-CG 4.32Å; W646-L734 HydrophobicContact CG-CD1 4.24Å; W646-L734 HydrophobicContact CG-CD2 3.72Å; W646-L734 HydrophobicContact CH2-CD1 3.92Å; W646-L734 HydrophobicContact CZ2-CD1 3.8Å; W646-L734 HydrophobicContact CZ3-CD1 3.89Å; W646-L734 HydrophobicContact CZ3-CD2 4.49Å; L654-L734 HydrophobicContact CD2-CD2 4.24Å; A658-L734 HydrophobicContact CB-CB 3.9Å; A658-L734 HydrophobicContact CB-CD1 4.24Å; G730-L734 WeakPolarHBondContact O-CD1 3.44Å; G730-L734 VanDerWaalsContact O-CG 3.29Å; G730-L734 WeakPolarHBondContact O-CG 3.13Å; I731-L734 PolarHBondContact O-N 2.74Å; I731-L734 VanDerWaalsContact O-N 3.07Å; L734-K736 PolarHBondContact O-N 3.34Å; L734-K736 VanDerWaalsContact O-N 3.08Å |
| 735 | L | 82 | Confident | 64.2 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -85.2 | 54.2 | 178.3 | -57.3 | -178.2 | 0 | 0 | 0 | 111.3 | A658 M662 I731 W805 W812 | A658-L735 HydrophobicContact CB-CD2 3.69Å; A658-L735 HydrophobicContact CB-CG 4.46Å; M662-L735 HydrophobicContact CE-CD1 3.58Å; M662-L735 HydrophobicContact CE-CD2 4.35Å; M662-L735 HydrophobicContact SD-CD1 4Å; I731-L735 HydrophobicContact CG2-CD1 3.63Å; I731-L735 HydrophobicContact CG2-CG 4.12Å; I731-L735 WeakPolarHBondContact O-CG 3.39Å; I731-L735 PolarHBondContact O-N 3.23Å; L735-W805 HydrophobicContact CB-CE3 4.33Å; L735-W805 HydrophobicContact CB-CH2 4.28Å; L735-W805 HydrophobicContact CB-CZ3 4.02Å; L735-W805 HydrophobicContact CD1-CD2 4.2Å; L735-W805 HydrophobicContact CD1-CE3 4.37Å; L735-W805 HydrophobicContact CD1-CG 4.48Å; L735-W805 HydrophobicContact CD2-CD2 4.34Å; L735-W805 HydrophobicContact CD2-CH2 3.78Å; L735-W805 HydrophobicContact CD2-CZ2 3.57Å; L735-W805 HydrophobicContact CD2-CZ3 4.25Å; L735-W812 HydrophobicContact CB-CZ2 3.82Å; L735-W812 HydrophobicContact CD1-CH2 4.24Å; L735-W812 HydrophobicContact CD1-CZ2 3.78Å; L735-W812 HydrophobicContact CG-CZ2 4.49Å; L735-W812 PolarHBondContact O-NE1 3.38Å |
| 736 | K | 72.3 | Confident | 61.4 | Low | 132 Ų | 132 | 69.2 Ų | 69.2 | 57% | 0.574 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -68 | 146.7 | 178.3 | -64.9 | -164.6 | 175.6 | -166.6 | 0 | 111.6 | E733 L734 Q738 | E733-K736 WeakPolarHBondContact O-CE 3.04Å; E733-K736 VanDerWaalsContact O-CG 3.27Å; E733-K736 WeakPolarHBondContact O-CG 3.24Å; L734-K736 PolarHBondContact O-N 3.34Å; L734-K736 VanDerWaalsContact O-N 3.08Å; K736-Q738 PolarHBondContact O-N 3.39Å |
| 737 | P | 58.9 | Low | 58.8 | Low | 36 Ų | 36 | 69.5 Ų | 69.5 | 23% | 0.234 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -60 | 122.8 | 173.5 | -20.7 | 33.9 | 0 | 0 | 0 | 110.4 | T759 M840 | P737-T759 WeakPolarHBondContact CG-O 3.27Å; P737-M840 HydrophobicContact CB-CE 4.16Å; P737-M840 HydrophobicContact CB-SD 4.2Å; P737-M840 HydrophobicContact CG-CE 3.68Å; P737-M840 HydrophobicContact CG-CG 4.5Å; P737-M840 HydrophobicContact CG-SD 3.75Å |
| 738 | Q | 57.6 | Low | 56.3 | Low | 79 Ų | 79 | 74 Ų | 74 | 37% | 0.369 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 117.6 | 171.5 | -67 | -161.9 | -13.9 | 0 | 0 | 109.5 | K651 K736 Y740 | K651-Q738 PolarHBondContact O-NE2 3.42Å; K736-Q738 PolarHBondContact O-N 3.39Å; Q738-Y740 HydrophobicContact CB-CD2 4.29Å; Q738-Y740 HydrophobicContact CB-CE2 3.84Å; Q738-Y740 VanDerWaalsContact OE1-CE2 3.24Å; Q738-Y740 PolarHBondContact OE1-OH 3.18Å |
| 739 | V | 47.3 | Very low | 53.9 | Low | 95 Ų | 95 | 74.7 Ų | 74.7 | 58% | 0.576 | 43% | 0.426 | S | S | * | . | trans | -89 | 106.5 | 172.7 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 740 | Y | 38 | Very low | 52.1 | Low | 149 Ų | 149 | 69.3 Ų | 69.3 | 58% | 0.584 | 41% | 0.411 | S | S | * | . | trans | -97.1 | 125.8 | 164.7 | -71 | -82.7 | 0 | 0 | 0 | 108.9 | Q738 | Q738-Y740 HydrophobicContact CB-CD2 4.29Å; Q738-Y740 HydrophobicContact CB-CE2 3.84Å; Q738-Y740 VanDerWaalsContact OE1-CE2 3.24Å; Q738-Y740 PolarHBondContact OE1-OH 3.18Å | ||
| 741 | S | 30.3 | Very low | 50.1 | Low | 52 Ų | 52 | 75.7 Ų | 75.7 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | trans | -62.9 | 139.1 | 161.7 | 175 | 0 | 0 | 0 | 0 | 108.6 | N743 G744 | S741-N743 PolarHBondContact O-N 2.97Å; S741-G744 PolarHBondContact O-N 2.95Å | ||
| 742 | A | 37 | Very low | 47.8 | Very low | 104 Ų | 104 | 83.6 Ų | 83.6 | 86% | 0.86 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -13.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 743 | N | 34 | Very low | 45.8 | Very low | 139 Ų | 139 | 91.3 Ų | 91.3 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 12.7 | -176.8 | -72 | -0.8 | 0 | 0 | 0 | 115.4 | S741 T745 | S741-N743 PolarHBondContact O-N 2.97Å; N743-T745 PolarHBondContact O-N 3.22Å |
| 744 | G | 29.9 | Very low | 43.8 | Very low | 68 Ų | 68 | 92.2 Ų | 92.2 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | trans | 67.4 | 11.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S741 | S741-G744 PolarHBondContact O-N 2.95Š| ||
| 745 | T | 30.4 | Very low | 41.6 | Very low | 84 Ų | 84 | 95.2 Ų | 95.2 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | trans | -87.4 | 140.6 | 170.8 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | N743 A747 | N743-T745 PolarHBondContact O-N 3.22Å; T745-A747 PolarHBondContact O-N 3.48Å | ||
| 746 | N | 33 | Very low | 40.1 | Very low | 128 Ų | 128 | 99.3 Ų | 99.3 | 68% | 0.684 | 58% | 0.579 | S | S | * | * | trans | -59.7 | 111.1 | 179.4 | -71 | -15.9 | 0 | 0 | 0 | 110 | S748 | N746-S748 PolarHBondContact O-N 3.45Š| ||
| 747 | A | 36.3 | Very low | 39.4 | Very low | 18 Ų | 18 | 95.5 Ų | 95.5 | 15% | 0.149 | 57% | 0.565 | C | S | . | * | G | 310 helix | trans | -67.2 | -1.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T745 S749 V750 E751 | T745-A747 PolarHBondContact O-N 3.48Å; A747-S749 PolarHBondContact O-N 2.96Å; A747-V750 PolarHBondContact O-N 3.48Å; A747-E751 WeakPolarHBondContact O-CG 3.42Å; A747-E751 PolarHBondContact O-N 2.99Å |
| 748 | S | 38 | Very low | 39.9 | Very low | 96 Ų | 96 | 99.7 Ų | 99.7 | 67% | 0.671 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -60.9 | -17.8 | -179.8 | 57.2 | 0 | 0 | 0 | 0 | 114 | N746 | N746-S748 PolarHBondContact O-N 3.45Š|
| 749 | S | 34.8 | Very low | 41 | Very low | 95 Ų | 95 | 97.5 Ų | 97.5 | 66% | 0.664 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -97.5 | -14.7 | 170.9 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | A747 | A747-S749 PolarHBondContact O-N 2.96Š|
| 750 | V | 35.2 | Very low | 42.8 | Very low | 47 Ų | 47 | 95.2 Ų | 95.2 | 29% | 0.285 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.7 | -17.5 | -176.6 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | A747 E752 E753 M754 | A747-V750 PolarHBondContact O-N 3.48Å; V750-E752 PolarHBondContact O-N 3.16Å; V750-E752 VanDerWaalsContact O-N 3.1Å; V750-E753 PolarHBondContact O-N 2.6Å; V750-E753 VanDerWaalsContact O-N 3.12Å; V750-M754 HydrophobicContact CG1-CG 4.32Å; V750-M754 HydrophobicContact CG1-SD 4.28Å; V750-M754 PolarHBondContact O-N 3.1Å |
| 751 | E | 36.7 | Very low | 45.2 | Very low | 133 Ų | 133 | 88.9 Ų | 88.9 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -27.6 | 177.8 | -80.7 | 165.2 | 165.8 | 0 | 0 | 114 | A747 | A747-E751 WeakPolarHBondContact O-CG 3.42Å; A747-E751 PolarHBondContact O-N 2.99Å |
| 752 | E | 35.8 | Very low | 48 | Very low | 167 Ų | 167 | 86.4 Ų | 86.4 | 78% | 0.78 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -19.4 | 178.4 | -90.9 | -177.6 | 169.4 | 0 | 0 | 114.5 | V750 | V750-E752 PolarHBondContact O-N 3.16Å; V750-E752 VanDerWaalsContact O-N 3.1Å |
| 753 | E | 33.6 | Very low | 50.5 | Low | 173 Ų | 173 | 81.5 Ų | 81.5 | 81% | 0.808 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -34 | -174.4 | -78.2 | -167 | 160.9 | 0 | 0 | 114 | V750 | V750-E753 PolarHBondContact O-N 2.6Å; V750-E753 VanDerWaalsContact O-N 3.12Å |
| 754 | M | 36.3 | Very low | 53.1 | Low | 122 Ų | 122 | 78.1 Ų | 78.1 | 60% | 0.601 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -93.6 | 111.1 | 173.7 | -66 | -175.7 | 64.6 | 0 | 0 | 108 | V750 V756 | V750-M754 HydrophobicContact CG1-CG 4.32Å; V750-M754 HydrophobicContact CG1-SD 4.28Å; V750-M754 PolarHBondContact O-N 3.1Å; M754-V756 HydrophobicContact CB-CG2 3.85Å; M754-V756 PolarHBondContact O-N 2.87Å |
| 755 | G | 36.9 | Very low | 56.1 | Low | 82 Ų | 82 | 74.9 Ų | 74.9 | 85% | 0.845 | 42% | 0.423 | S | S | * | . | trans | -64.4 | 57 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N757 | G755-N757 PolarHBondContact O-N 3.48Š| ||
| 756 | V | 50.9 | Low | 58.9 | Low | 86 Ų | 86 | 71.5 Ų | 71.5 | 52% | 0.521 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 116.7 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 105.8 | M754 E758 | M754-V756 HydrophobicContact CB-CG2 3.85Å; M754-V756 PolarHBondContact O-N 2.87Å; V756-E758 PolarHBondContact O-N 3.01Å |
| 757 | N | 55.7 | Low | 61.6 | Low | 53 Ų | 53 | 65.4 Ų | 65.4 | 28% | 0.283 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 127.6 | 172.7 | -64.3 | -25.7 | 0 | 0 | 0 | 108.7 | G755 T759 D842 | G755-N757 PolarHBondContact O-N 3.48Å; N757-T759 PolarHBondContact O-N 3.11Å; N757-D842 HydrophobicContact CB-CB 4.01Å |
| 758 | E | 69.4 | Low | 63.9 | Low | 123 Ų | 123 | 65.5 Ų | 65.5 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 125.4 | 177.2 | -175.4 | 175.5 | 179.4 | 0 | 0 | 108.3 | V756 I760 V843 | V756-E758 PolarHBondContact O-N 3.01Å; E758-I760 HydrophobicContact CG-CG2 4.46Å; E758-V843 HydrophobicContact CB-CB 4.34Å; E758-V843 WeakPolarHBondContact O-CB 3.44Å; E758-V843 WeakPolarHBondContact O-CG2 3.41Å; E758-V843 PolarHBondContact O-N 2.87Å |
| 759 | T | 81.5 | Confident | 66 | Low | 34 Ų | 34 | 62.5 Ų | 62.5 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 134 | 177.6 | 45.2 | 0 | 0 | 0 | 0 | 109.4 | P737 N757 M840 M841 D842 | P737-T759 WeakPolarHBondContact CG-O 3.27Å; N757-T759 PolarHBondContact O-N 3.11Å; T759-M840 HydrophobicContact CG2-SD 4.32Å; T759-M841 WeakPolarHBondContact CA-O 3.21Å; T759-D842 VanDerWaalsContact CG2-OD1 3.25Å; T759-D842 WeakPolarHBondContact CG2-OD1 3.34Å |
| 760 | I | 84.5 | Confident | 68 | Low | 46 Ų | 46 | 58.5 Ų | 58.5 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 149 | 178.7 | 63.4 | 168.1 | 0 | 0 | 0 | 111.2 | E758 N762 V797 M840 M841 V843 | E758-I760 HydrophobicContact CG-CG2 4.46Å; I760-N762 HydrophobicContact CG1-CB 4.47Å; I760-N762 PolarHBondContact O-N 3.32Å; I760-V797 HydrophobicContact CD1-CG1 4.09Å; I760-M840 WeakPolarHBondContact O-CA 3.47Å; I760-M840 WeakPolarHBondContact O-CG 3.34Å; I760-M841 PolarHBondContact N-O 3.29Å; I760-M841 PolarHBondContact O-N 3.45Å; I760-V843 HydrophobicContact CB-CG2 4.21Å; I760-V843 HydrophobicContact CD1-CG2 3.76Å; I760-V843 HydrophobicContact CG1-CG2 3.69Å; I760-V843 HydrophobicContact CG2-CG2 3.57Å |
| 761 | V | 88.4 | Confident | 69.7 | Low | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 107.4 | 168 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | W812 A838 I839 | V761-W812 HydrophobicContact CG1-CZ2 4.46Å; V761-W812 HydrophobicContact CG2-CZ2 4.09Å; V761-A838 HydrophobicContact CG1-CB 3.69Å; V761-I839 CarbonylContact C-O 3.59Å |
| 762 | N | 88.8 | Confident | 71 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -104.5 | 23.8 | -171.8 | -163.4 | 29.5 | 0 | 0 | 0 | 113.1 | I760 H791 L792 T793 I839 M841 | I760-N762 HydrophobicContact CG1-CB 4.47Å; I760-N762 PolarHBondContact O-N 3.32Å; N762-H791 CarbonylContact O-C 3.59Å; N762-H791 VanDerWaalsContact O-CA 3.24Å; N762-H791 WeakPolarHBondContact O-CA 3.34Å; N762-L792 PolarHBondContact O-N 3.06Å; N762-L792 PolarHBondContact OD1-N 2.74Å; N762-T793 PolarHBondContact ND2-O 3.16Å; N762-T793 PolarHBondContact OD1-N 2.95Å; N762-T793 PolarHBondContact OD1-O 2.71Å; N762-I839 PolarHBondContact N-O 3.25Å; N762-M841 HydrophobicContact CB-CB 4.18Å; N762-M841 HydrophobicContact CB-CG 4.16Å; N762-M841 HydrophobicContact CB-SD 4.24Å; N762-M841 PolarHBondContact ND2-SD 2.88Å | ||
| 763 | S | 89.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -140.6 | 169 | 171.3 | 72.9 | 0 | 0 | 0 | 0 | 110.9 | A838 I839 | S763-A838 WeakPolarHBondContact OG-CA 3.37Å; S763-I839 PolarHBondContact OG-N 2.82Å |
| 764 | E | 90.1 | Very high | 72.4 | Confident | 69 Ų | 69 | 48.4 Ų | 48.4 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | trans | -62.8 | 151.6 | 159.5 | -61.6 | 179.8 | 145.5 | 0 | 0 | 109.4 | V726 Y727 R728 L792 | V726-E764 HydrophobicContact CG1-CB 4.15Å; Y727-E764 WeakPolarHBondContact O-CB 3.41Å; R728-E764 WeakPolarHBondContact CD-OE1 3.28Å; R728-E764 VanDerWaalsContact CG-OE1 3.3Å; R728-E764 WeakPolarHBondContact CG-OE1 3.17Å; R728-E764 IonicContact NE-OE1 3.91Å; R728-E764 PolarHBondContact NE-OE1 3.23Å; E764-L792 HydrophobicContact CG-CD2 4.25Å | ||
| 765 | V | 91.5 | Very high | 73.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 122.3 | 177.8 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | M662 Y727 I731 W812 F837 A838 | M662-V765 HydrophobicContact SD-CG1 4.47Å; Y727-V765 HydrophobicContact CD2-CB 4.18Å; Y727-V765 HydrophobicContact CD2-CG1 4.12Å; Y727-V765 PolarHBondContact N-O 3.16Å; Y727-V765 PolarHBondContact O-N 3.02Å; I731-V765 HydrophobicContact CG2-CB 4.34Å; I731-V765 HydrophobicContact CG2-CG2 4.11Å; V765-W812 HydrophobicContact CG1-CH2 3.99Å; V765-W812 HydrophobicContact CG2-CH2 3.96Å; V765-W812 HydrophobicContact CG2-CZ2 4.24Å; V765-F837 WeakPolarHBondContact CA-O 3.3Å; V765-A838 HydrophobicContact CG2-CB 4.24Å |
| 766 | V | 90.6 | Very high | 74.3 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.5 | -178.3 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | F724 F725 V726 L787 L789 S836 F837 | F724-V766 HydrophobicContact CD2-CG1 4.28Å; F724-V766 HydrophobicContact CE1-CG1 4.38Å; F724-V766 HydrophobicContact CE2-CG1 3.29Å; F724-V766 HydrophobicContact CZ-CG1 3.36Å; F725-V766 CarbonylContact O-C 3.54Å; F725-V766 WeakPolarHBondContact O-CA 3.25Å; V726-V766 HydrophobicContact CG1-CG2 4.38Å; V726-V766 HydrophobicContact CG2-CG2 4.35Å; V766-L787 HydrophobicContact CG1-CD2 4.39Å; V766-L789 HydrophobicContact CB-CD2 4.47Å; V766-L789 HydrophobicContact CG2-CD2 3.7Å; V766-S836 CarbonylContact O-C 3.39Å; V766-S836 WeakPolarHBondContact O-CA 3.47Å; V766-F837 PolarHBondContact N-O 3.02Å; V766-F837 WeakPolarHBondContact O-CD2 3.49Å; V766-F837 PolarHBondContact O-N 2.6Å |
| 767 | S | 89.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 136.4 | 176 | -155.3 | 0 | 0 | 0 | 0 | 111.8 | E666 F724 F725 T835 S836 | E666-S767 PolarHBondContact OE1-OG 3.28Å; F724-S767 CarbonylContact C-O 3.59Å; F724-S767 WeakPolarHBondContact CA-O 3.41Å; F725-S767 PolarHBondContact N-O 3.4Å; F725-S767 PolarHBondContact O-N 3.14Å; S767-T835 WeakPolarHBondContact CA-O 3.49Å; S767-S836 WeakPolarHBondContact CB-OG 3.44Å; S767-S836 PolarHBondContact OG-OG 2.95Å |
| 768 | A | 85 | Confident | 75.4 | Confident | 21 Ų | 21 | 43.7 Ų | 43.7 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | G723 F724 L834 T835 | G723-A768 WeakPolarHBondContact O-CA 3.46Å; F724-A768 HydrophobicContact CD2-CB 4.5Å; A768-L834 HydrophobicContact CB-CD2 3.97Å; A768-L834 CarbonylContact O-C 3.47Å; A768-T835 PolarHBondContact N-O 3.4Å; A768-T835 VanDerWaalsContact N-O 3.09Å; A768-T835 PolarHBondContact O-N 2.79Å |
| 769 | T | 81.2 | Confident | 75.3 | Confident | 32 Ų | 32 | 38.9 Ų | 38.9 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 151.3 | -178.2 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | E666 G723 F725 | E666-T769 HydrophobicContact CB-CG2 4.09Å; E666-T769 HydrophobicContact CG-CG2 3.79Å; G723-T769 PolarHBondContact N-O 2.78Å; G723-T769 PolarHBondContact O-N 2.7Å; F725-T769 HydrophobicContact CE2-CG2 3.98Å |
| 770 | V | 77.3 | Confident | 74.2 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 113.7 | 177.4 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | L720 L721 F722 I777 L834 | L720-V770 HydrophobicContact CB-CG1 4.34Å; L720-V770 HydrophobicContact CD2-CG1 3.77Å; L721-V770 VanDerWaalsContact O-CA 3.29Å; L721-V770 WeakPolarHBondContact O-CA 3.28Å; F722-V770 HydrophobicContact CD1-CB 4.49Å; F722-V770 HydrophobicContact CD1-CG2 3.43Å; F722-V770 VanDerWaalsContact CD1-CG2 3.43Å; F722-V770 HydrophobicContact CE1-CB 4.3Å; F722-V770 HydrophobicContact CE1-CG1 4.11Å; F722-V770 HydrophobicContact CE1-CG2 3.24Å; F722-V770 HydrophobicContact CG-CG2 4.38Å; F722-V770 HydrophobicContact CZ-CG1 4.18Å; F722-V770 HydrophobicContact CZ-CG2 4.12Å; V770-I777 HydrophobicContact CB-CD1 3.6Å; V770-I777 HydrophobicContact CG1-CD1 4.31Å; V770-I777 HydrophobicContact CG2-CD1 4.32Å; V770-I777 WeakPolarHBondContact O-CD1 3.43Å; V770-L834 HydrophobicContact CG2-CD1 3.57Å |
| 771 | N | 70.7 | Confident | 72.8 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 17% | 0.171 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 52.3 | 136.7 | -176.5 | -73 | -14.1 | 0 | 0 | 0 | 115.3 | R719 L721 G773 F774 | R719-N771 PolarHBondContact O-ND2 2.88Å; L721-N771 VanDerWaalsContact CB-OD1 3.29Å; L721-N771 WeakPolarHBondContact CB-OD1 3.33Å; L721-N771 PolarHBondContact N-OD1 3.16Å; L721-N771 PolarHBondContact O-N 3.47Å; N771-G773 PolarHBondContact O-N 3.45Å; N771-F774 HydrophobicContact CB-CD2 3.7Å; N771-F774 HydrophobicContact CB-CE2 3.64Å |
| 772 | E | 63.2 | Low | 71.2 | Confident | 86 Ų | 86 | 43.7 Ų | 43.7 | 40% | 0.402 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 123.2 | 172.8 | -174 | 174.7 | -149.3 | 0 | 0 | 110.8 | T667 S670 R671 | T667-E772 VanDerWaalsContact CG2-OE1 3.27Å; T667-E772 WeakPolarHBondContact CG2-OE1 3.4Å; T667-E772 PolarHBondContact OG1-OE1 2.95Å; S670-E772 VanDerWaalsContact OG-CB 3.31Å; S670-E772 WeakPolarHBondContact OG-CB 3.49Å; S670-E772 PolarHBondContact OG-N 3.13Å; R671-E772 IonicContact CZ-OE2 3.52Å; R671-E772 IonicContact NE-OE2 3.67Å; R671-E772 IonicContact NH2-OE1 3.64Å; R671-E772 IonicContact NH2-OE2 2.9Å; R671-E772 PolarHBondContact NH2-OE2 3.49Å |
| 773 | G | 51 | Low | 70.3 | Confident | 75 Ų | 75 | 50.3 Ų | 50.3 | 77% | 0.773 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.1 | -12.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | N771 G775 | N771-G773 PolarHBondContact O-N 3.45Å; G773-G775 VanDerWaalsContact C-N 3.27Å; G773-G775 PolarHBondContact O-N 3.28Å |
| 774 | F | 48.7 | Very low | 69.7 | Low | 116 Ų | 116 | 52.9 Ų | 52.9 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | trans | -78.5 | -7.1 | -179.3 | -71.3 | -76.7 | 0 | 0 | 0 | 114.6 | N771 I777 | N771-F774 HydrophobicContact CB-CD2 3.7Å; N771-F774 HydrophobicContact CB-CE2 3.64Å; F774-I777 HydrophobicContact CB-CD1 3.86Å; F774-I777 HydrophobicContact CB-CG1 3.68Å; F774-I777 HydrophobicContact CG-CD1 4.47Å | ||
| 775 | G | 55.1 | Low | 69.1 | Low | 55 Ų | 55 | 51.2 Ų | 51.2 | 57% | 0.567 | 34% | 0.335 | S | S | * | . | trans | 61.9 | -161.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G773 I777 | G773-G775 VanDerWaalsContact C-N 3.27Å; G773-G775 PolarHBondContact O-N 3.28Å; G775-I777 PolarHBondContact O-N 2.91Å | ||
| 776 | P | 57.8 | Low | 68.8 | Low | 58 Ų | 58 | 55.3 Ų | 55.3 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -63.7 | 102.8 | 175.4 | -16.4 | 29.6 | 0 | 0 | 0 | 109.8 | H778 T835 | P776-H778 PolarHBondContact O-N 3.47Å; P776-H778 PolarHBondContact O-ND1 3.24Å; P776-T835 HydrophobicContact CB-CG2 3.87Å; P776-T835 HydrophobicContact CG-CG2 4.28Å |
| 777 | I | 63.6 | Low | 68.6 | Low | 28 Ų | 28 | 55.9 Ų | 55.9 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 117.9 | 177.4 | -66.8 | 162.3 | 0 | 0 | 0 | 107.7 | V770 F774 G775 H833 L834 | V770-I777 HydrophobicContact CB-CD1 3.6Å; V770-I777 HydrophobicContact CG1-CD1 4.31Å; V770-I777 HydrophobicContact CG2-CD1 4.32Å; V770-I777 WeakPolarHBondContact O-CD1 3.43Å; F774-I777 HydrophobicContact CB-CD1 3.86Å; F774-I777 HydrophobicContact CB-CG1 3.68Å; F774-I777 HydrophobicContact CG-CD1 4.47Å; G775-I777 PolarHBondContact O-N 2.91Å; I777-H833 WeakPolarHBondContact O-CA 2.98Å; I777-L834 PolarHBondContact O-N 3.23Å |
| 778 | H | 66.4 | Low | 68.5 | Low | 102 Ų | 102 | 60.3 Ų | 60.3 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.1 | 174.4 | -69.7 | 63.6 | 0 | 0 | 0 | 109 | P776 T780 | P776-H778 PolarHBondContact O-N 3.47Å; P776-H778 PolarHBondContact O-ND1 3.24Å; H778-T780 PolarHBondContact O-N 3.08Å |
| 779 | L | 67 | Low | 68.7 | Low | 23 Ų | 23 | 59.9 Ų | 59.9 | 12% | 0.12 | 38% | 0.384 | C | S | . | . | trans | -77.2 | 102.8 | 178.2 | -63.4 | 168.8 | 0 | 0 | 0 | 108.4 | F700 V703 G781 V785 S832 | F700-L779 HydrophobicContact CE1-CD2 4.01Å; V703-L779 HydrophobicContact CG1-CD2 3.98Å; L779-G781 VanDerWaalsContact C-N 3.27Å; L779-G781 PolarHBondContact O-N 2.88Å; L779-V785 HydrophobicContact CD1-CG2 3.35Å; L779-S832 PolarHBondContact N-O 3.01Å | ||
| 780 | T | 57.4 | Low | 69.1 | Low | 81 Ų | 81 | 67.9 Ų | 67.9 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -14.3 | -178.7 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | K704 H778 G782 | K704-T780 PolarHBondContact O-OG1 2.78Å; K704-T780 VanDerWaalsContact O-OG1 3.09Å; H778-T780 PolarHBondContact O-N 3.08Å; T780-G782 VanDerWaalsContact C-N 3.29Å; T780-G782 PolarHBondContact O-N 2.9Å |
| 781 | G | 56.1 | Low | 69.6 | Low | 49 Ų | 49 | 67.7 Ų | 67.7 | 51% | 0.505 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 4.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | L779 D783 | L779-G781 VanDerWaalsContact C-N 3.27Å; L779-G781 PolarHBondContact O-N 2.88Å; G781-D783 PolarHBondContact O-N 2.96Å; G781-D783 VanDerWaalsContact O-N 3.14Å |
| 782 | G | 55.7 | Low | 70.4 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 68% | 0.68 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 79.6 | -20.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | T780 P784 | T780-G782 VanDerWaalsContact C-N 3.29Å; T780-G782 PolarHBondContact O-N 2.9Å; G782-P784 VanDerWaalsContact O-CD 3.28Å; G782-P784 WeakPolarHBondContact O-CD 3.48Å |
| 783 | D | 69.2 | Low | 71.3 | Confident | 140 Ų | 140 | 68.6 Ų | 68.6 | 75% | 0.749 | 42% | 0.419 | S | S | * | . | trans | -91.9 | 109.2 | 175 | -66.8 | -34.3 | 0 | 0 | 0 | 111.1 | G781 | G781-D783 PolarHBondContact O-N 2.96Å; G781-D783 VanDerWaalsContact O-N 3.14Å | ||
| 784 | P | 76.9 | Confident | 72.7 | Confident | 54 Ų | 54 | 68.4 Ų | 68.4 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | trans | -74.1 | 158.8 | 176.7 | 31.4 | -35 | 0 | 0 | 0 | 111.6 | G782 V786 A830 C831 | G782-P784 VanDerWaalsContact O-CD 3.28Å; G782-P784 WeakPolarHBondContact O-CD 3.48Å; P784-V786 PolarHBondContact O-N 3.23Å; P784-A830 HydrophobicContact CB-CB 4.1Å; P784-A830 HydrophobicContact CG-CB 3.85Å; P784-C831 CarbonylContact C-O 2.93Å; P784-C831 WeakPolarHBondContact CA-O 3.37Å; P784-C831 WeakPolarHBondContact CB-O 3.38Å | ||
| 785 | V | 78 | Confident | 74 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 21% | 0.212 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 119.5 | 170 | -169.6 | 0 | 0 | 0 | 0 | 108.8 | L779 L787 A830 C831 L834 | L779-V785 HydrophobicContact CD1-CG2 3.35Å; V785-L787 HydrophobicContact CG1-CD1 4.19Å; V785-L787 HydrophobicContact CG1-CD2 4.26Å; V785-L787 HydrophobicContact CG1-CG 3.95Å; V785-A830 CarbonylContact O-C 3.6Å; V785-A830 WeakPolarHBondContact O-CA 3.21Å; V785-C831 PolarHBondContact N-O 2.88Å; V785-C831 PolarHBondContact O-N 2.81Å; V785-L834 HydrophobicContact CG2-CD2 3.7Å |
| 786 | V | 85.1 | Confident | 75 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 52% | 0.515 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115.8 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | P784 L820 V828 C829 | P784-V786 PolarHBondContact O-N 3.23Å; V786-L820 HydrophobicContact CG1-CD1 4.3Å; V786-L820 HydrophobicContact CG2-CD1 4.48Å; V786-V828 HydrophobicContact CG1-CG1 3.69Å; V786-C829 CarbonylContact C-O 3.56Å; V786-C829 VanDerWaalsContact CA-O 3.3Å; V786-C829 WeakPolarHBondContact CA-O 3.26Å |
| 787 | L | 85.3 | Confident | 76.1 | Confident | 24 Ų | 24 | 66.2 Ų | 66.2 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130 | -177.8 | -65.6 | 150.9 | 0 | 0 | 0 | 109.4 | V766 V785 L789 V828 C829 F837 | V766-L787 HydrophobicContact CG1-CD2 4.39Å; V785-L787 HydrophobicContact CG1-CD1 4.19Å; V785-L787 HydrophobicContact CG1-CD2 4.26Å; V785-L787 HydrophobicContact CG1-CG 3.95Å; L787-L789 HydrophobicContact CB-CG 4.5Å; L787-V828 CarbonylContact O-C 3.52Å; L787-V828 WeakPolarHBondContact O-CA 3.35Å; L787-C829 PolarHBondContact N-O 2.91Å; L787-C829 PolarHBondContact O-N 3.11Å; L787-F837 HydrophobicContact CD1-CB 3.93Å; L787-F837 HydrophobicContact CD1-CD1 4.2Å; L787-F837 HydrophobicContact CD1-CD2 3.34Å; L787-F837 HydrophobicContact CD1-CE2 3.86Å; L787-F837 HydrophobicContact CD1-CG 3.53Å; L787-F837 HydrophobicContact CD1-CZ 4.48Å |
| 788 | T | 88.3 | Confident | 76.9 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 57% | 0.571 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 109.5 | 171.7 | -59 | 0 | 0 | 0 | 0 | 108.9 | Y826 V828 | T788-Y826 HydrophobicContact CG2-CD2 3.68Å; T788-Y826 HydrophobicContact CG2-CE2 4.28Å; T788-Y826 HydrophobicContact CG2-CG 4.24Å; T788-V828 HydrophobicContact CG2-CG2 4.16Å |
| 789 | L | 89.5 | Confident | 77.7 | Confident | 13 Ų | 13 | 68.5 Ų | 68.5 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.5 | -174.7 | -64.3 | 176.6 | 0 | 0 | 0 | 110.4 | V766 L787 Y826 S827 I839 | V766-L789 HydrophobicContact CB-CD2 4.47Å; V766-L789 HydrophobicContact CG2-CD2 3.7Å; L787-L789 HydrophobicContact CB-CG 4.5Å; L789-Y826 CarbonylContact O-C 3.55Å; L789-Y826 WeakPolarHBondContact O-CA 3.49Å; L789-Y826 WeakPolarHBondContact O-CB 3.49Å; L789-S827 PolarHBondContact N-O 3.41Å; L789-S827 PolarHBondContact O-N 2.81Å; L789-I839 HydrophobicContact CB-CD1 4.27Å; L789-I839 HydrophobicContact CB-CG1 3.73Å; L789-I839 HydrophobicContact CD1-CD1 4.01Å; L789-I839 HydrophobicContact CD1-CG1 3.89Å; L789-I839 HydrophobicContact CG-CG1 4.45Å |
| 790 | R | 88.1 | Confident | 78.9 | Confident | 200 Ų | 200 | 68.5 Ų | 68.5 | 76% | 0.755 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 140.8 | 177.8 | -177.6 | -178.6 | 162.1 | 142.5 | -3.1 | 110.7 | N825 | R790-N825 WeakPolarHBondContact CA-O 3.41Å; R790-N825 WeakPolarHBondContact CG-O 3.4Å |
| 791 | H | 88.9 | Confident | 80.5 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 3% | 0.032 | 40% | 0.397 | C | S | . | . | trans | -72.1 | 130.7 | 173.2 | -61.9 | 164.8 | 0 | 0 | 0 | 111.5 | N762 T794 T823 R824 N825 S827 | N762-H791 CarbonylContact O-C 3.59Å; N762-H791 VanDerWaalsContact O-CA 3.24Å; N762-H791 WeakPolarHBondContact O-CA 3.34Å; H791-T794 HydrophobicContact CB-CG2 4.1Å; H791-T823 PolarHBondContact CE1-O 3.48Å; H791-T823 VanDerWaalsContact CE1-O 3.27Å; H791-R824 PolarHBondContact ND1-O 3.14Å; H791-N825 PolarHBondContact N-O 3.36Å; H791-S827 PolarHBondContact NE2-OG 2.88Å | ||
| 792 | L | 86.8 | Confident | 82.2 | Confident | 69 Ų | 69 | 68.6 Ų | 68.6 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -71 | -41.3 | 174 | -63.3 | 177.3 | 0 | 0 | 0 | 111.1 | N762 E764 | N762-L792 PolarHBondContact O-N 3.06Å; N762-L792 PolarHBondContact OD1-N 2.74Å; E764-L792 HydrophobicContact CG-CD2 4.25Å |
| 793 | T | 82.4 | Confident | 83.9 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | trans | -123.3 | 135.2 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 109.4 | N762 V795 V797 | N762-T793 PolarHBondContact ND2-O 3.16Å; N762-T793 PolarHBondContact OD1-N 2.95Å; N762-T793 PolarHBondContact OD1-O 2.71Å; T793-V795 WeakPolarHBondContact CG2-O 3.05Å; T793-V797 WeakPolarHBondContact O-CG2 3.48Å | ||
| 794 | T | 81.1 | Confident | 84.9 | Confident | 72 Ų | 72 | 60.3 Ų | 60.3 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | trans | -116.4 | 2.8 | -177.4 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | H791 R824 | H791-T794 HydrophobicContact CB-CG2 4.1Å; T794-R824 VanDerWaalsContact CG2-O 3.27Å; T794-R824 WeakPolarHBondContact CG2-O 3.42Å | ||
| 795 | V | 76.2 | Confident | 85.5 | Confident | 93 Ų | 93 | 58.1 Ų | 58.1 | 56% | 0.564 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -117.3 | 138.2 | -175.4 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | T793 V797 | T793-V795 WeakPolarHBondContact CG2-O 3.05Å; V795-V797 PolarHBondContact O-N 3.06Å |
| 796 | N | 75.1 | Confident | 85.9 | Confident | 71 Ų | 71 | 58 Ų | 58 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 57.7 | 33.9 | 177.3 | -57.6 | -19.7 | 0 | 0 | 0 | 114 | V843 T844 | N796-V843 CarbonylContact O-C 3.59Å; N796-V843 WeakPolarHBondContact O-CA 3.47Å; N796-T844 VanDerWaalsContact C-OG1 3.23Å; N796-T844 VanDerWaalsContact CB-O 3.3Å; N796-T844 WeakPolarHBondContact CB-O 3.46Å; N796-T844 CarbonylContact O-C 3.51Å; N796-T844 PolarHBondContact O-N 3.15Å; N796-T844 PolarHBondContact O-OG1 3.13Å |
| 797 | V | 80.7 | Confident | 85.5 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.5 | 176.4 | -70.7 | 0 | 0 | 0 | 0 | 109.7 | I760 T793 V795 M841 D842 | I760-V797 HydrophobicContact CD1-CG1 4.09Å; T793-V797 WeakPolarHBondContact O-CG2 3.48Å; V795-V797 PolarHBondContact O-N 3.06Å; V797-M841 HydrophobicContact CB-CB 4.09Å; V797-M841 HydrophobicContact CB-CE 3.82Å; V797-M841 HydrophobicContact CB-SD 4.17Å; V797-M841 HydrophobicContact CG2-CE 3.76Å; V797-M841 HydrophobicContact CG2-SD 4.01Å; V797-M841 WeakPolarHBondContact O-CE 3.08Å; V797-D842 WeakPolarHBondContact CA-O 3.33Å |
| 798 | E | 80.8 | Confident | 85.1 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 177.7 | 177.8 | -64.5 | -177 | -180 | 0 | 0 | 110.8 | D842 T844 | E798-D842 PolarHBondContact N-O 2.93Å; E798-D842 PolarHBondContact O-N 3.37Å; E798-T844 HydrophobicContact CB-CG2 3.81Å; E798-T844 HydrophobicContact CG-CG2 3.89Å |
| 799 | N | 83.9 | Confident | 84.6 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.8 | 65.3 | 176.9 | -56.5 | -30.8 | 0 | 0 | 0 | 115.5 | R801 D842 | N799-R801 PolarHBondContact O-N 2.76Å; N799-D842 HydrophobicContact CB-CB 4.48Å; N799-D842 WeakPolarHBondContact CB-OD2 3.4Å; N799-D842 PolarHBondContact ND2-OD2 3.06Å |
| 800 | P | 90.6 | Very high | 84.1 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 132.6 | 175.9 | 27.8 | -31.5 | 0 | 0 | 0 | 111.8 | L819 T822 S827 I839 M840 M841 | P800-L819 HydrophobicContact CG-CD2 4.03Å; P800-T822 HydrophobicContact CG-CG2 3.94Å; P800-T822 WeakPolarHBondContact CG-OG1 3.37Å; P800-S827 WeakPolarHBondContact CB-OG 3.35Å; P800-I839 HydrophobicContact CB-CG2 3.98Å; P800-M840 CarbonylContact C-O 3.54Å; P800-M840 WeakPolarHBondContact CA-O 3.31Å; P800-M841 HydrophobicContact CB-CE 4.4Å; P800-M841 HydrophobicContact CB-CG 3.99Å; P800-M841 HydrophobicContact CB-SD 4.29Å |
| 801 | R | 90.7 | Very high | 83.9 | Confident | 126 Ų | 126 | 61.4 Ų | 61.4 | 48% | 0.475 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.3 | 177.3 | -54.7 | -179.4 | -157.3 | -170.2 | 7.6 | 109.5 | N799 V803 M840 D842 | N799-R801 PolarHBondContact O-N 2.76Å; R801-V803 PolarHBondContact O-N 2.83Å; R801-M840 PolarHBondContact N-O 3.1Å; R801-M840 PolarHBondContact O-N 3.42Å; R801-D842 IonicContact NH2-OD1 3.41Å; R801-D842 PolarHBondContact NH2-OD1 3.09Å; R801-D842 IonicContact NH2-OD2 3.95Å; R801-D842 PolarHBondContact NH2-OD2 2.93Å |
| 802 | C | 92 | Very high | 83.9 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 119.2 | 172.2 | -57.6 | 0 | 0 | 0 | 0 | 109 | C817 L819 C829 | C802-C817 HydrophobicContact CB-CB 4.05Å; C802-L819 VanDerWaalsContact SG-CA 3.5Å; C802-C829 HydrophobicContact CB-CB 3.66Å; C802-C829 WeakPolarHBondContact CB-SG 3.42Å; C802-C829 WeakPolarHBondContact SG-CA 3.31Å; C802-C829 WeakPolarHBondContact SG-CB 3.37Å; C802-C829 CovalentContact SG-SG 2.01Å; C802-C829 PolarHBondContact SG-SG 2.94Å |
| 803 | V | 92 | Very high | 84 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 154 | -178.6 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | R801 W812 D813 T814 F837 A838 M840 | R801-V803 PolarHBondContact O-N 2.83Å; V803-W812 HydrophobicContact CB-CB 4.19Å; V803-W812 HydrophobicContact CB-CE3 4.03Å; V803-W812 HydrophobicContact CG1-CB 4.5Å; V803-W812 HydrophobicContact CG2-CB 4.3Å; V803-W812 HydrophobicContact CG2-CD2 3.95Å; V803-W812 HydrophobicContact CG2-CE3 3.54Å; V803-W812 HydrophobicContact CG2-CG 4.28Å; V803-W812 HydrophobicContact CG2-CZ3 4.23Å; V803-D813 CarbonylContact C-O 3.46Å; V803-D813 WeakPolarHBondContact CA-O 3.5Å; V803-D813 WeakPolarHBondContact CB-O 3.22Å; V803-T814 HydrophobicContact CG1-CG2 3.78Å; V803-F837 WeakPolarHBondContact O-CA 3.29Å; V803-A838 HydrophobicContact CG2-CB 4.31Å; V803-A838 VanDerWaalsContact CG2-O 3.25Å; V803-A838 WeakPolarHBondContact CG2-O 3.4Å; V803-A838 PolarHBondContact N-O 2.83Å; V803-A838 PolarHBondContact O-N 3.17Å; V803-M840 HydrophobicContact CG1-CB 4.24Å; V803-M840 HydrophobicContact CG1-CE 4.35Å; V803-M840 HydrophobicContact CG2-CB 4.12Å; V803-M840 HydrophobicContact CG2-CE 4.28Å |
| 804 | Y | 90.7 | Very high | 84.2 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 11% | 0.106 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 153.9 | 168 | 78.9 | -80.6 | 0 | 0 | 0 | 110.7 | D806 W812 D813 H815 H833 T835 S836 | Y804-D806 HydrophobicContact CE2-CB 4.07Å; Y804-W812 VanDerWaalsContact C-CE3 3.41Å; Y804-W812 WeakPolarHBondContact O-CA 3.48Å; Y804-D813 HydrophobicContact CD1-CB 4.27Å; Y804-D813 WeakPolarHBondContact CD1-O 3.16Å; Y804-D813 HydrophobicContact CE1-CB 3.62Å; Y804-D813 PolarHBondContact N-O 3.21Å; Y804-D813 PolarHBondContact O-N 3.05Å; Y804-D813 PolarHBondContact OH-OD2 3.4Å; Y804-H815 WeakPolarHBondContact CD1-O 3.4Å; Y804-H815 HydrophobicContact CE1-CB 4.11Å; Y804-H815 WeakPolarHBondContact CE1-O 3.36Å; Y804-H833 AromaticContact CD1-CE1 3.58Å; Y804-H833 AromaticContact CD1-NE2 3.67Å; Y804-H833 AromaticContact CD2-CE1 3.69Å; Y804-H833 AromaticContact CE1-NE2 3.87Å; Y804-H833 AromaticContact CG-CE1 3.37Å; Y804-H833 AromaticContact CG-NE2 3.94Å; Y804-T835 WeakPolarHBondContact CB-OG1 3.48Å; Y804-T835 HydrophobicContact CD2-CG2 4.2Å; Y804-S836 CarbonylContact C-O 3.58Å; Y804-S836 WeakPolarHBondContact CA-O 3.06Å |
| 805 | W | 89.8 | Confident | 84.5 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 113.3 | 178.5 | -174.7 | -106.1 | 0 | 0 | 0 | 110.6 | S659 M662 L735 L807 N810 R811 W812 S836 | S659-W805 WeakPolarHBondContact OG-CZ2 3.26Å; S659-W805 PolarHBondContact OG-NE1 3.09Å; M662-W805 HydrophobicContact CE-CG 4.14Å; L735-W805 HydrophobicContact CB-CE3 4.33Å; L735-W805 HydrophobicContact CB-CH2 4.28Å; L735-W805 HydrophobicContact CB-CZ3 4.02Å; L735-W805 HydrophobicContact CD1-CD2 4.2Å; L735-W805 HydrophobicContact CD1-CE3 4.37Å; L735-W805 HydrophobicContact CD1-CG 4.48Å; L735-W805 HydrophobicContact CD2-CD2 4.34Å; L735-W805 HydrophobicContact CD2-CH2 3.78Å; L735-W805 HydrophobicContact CD2-CZ2 3.57Å; L735-W805 HydrophobicContact CD2-CZ3 4.25Å; W805-L807 PolarHBondContact O-N 3.31Å; W805-N810 HydrophobicContact CH2-CB 4.47Å; W805-N810 WeakPolarHBondContact CH2-O 3.21Å; W805-N810 VanDerWaalsContact CZ2-CA 3.5Å; W805-N810 HydrophobicContact CZ2-CB 3.81Å; W805-N810 WeakPolarHBondContact CZ2-O 3.44Å; W805-R811 VanDerWaalsContact CE3-C 3.48Å; W805-W812 HydrophobicContact CB-CE3 3.98Å; W805-W812 HydrophobicContact CB-CH2 3.96Å; W805-W812 HydrophobicContact CB-CZ3 3.63Å; W805-W812 AromaticContact CE3-CD1 3.89Å; W805-W812 AromaticContact CE3-CD2 3.6Å; W805-W812 HydrophobicContact CE3-CD2 3.6Å; W805-W812 AromaticContact CE3-CE2 3.49Å; W805-W812 VanDerWaalsContact CE3-CE2 3.49Å; W805-W812 HydrophobicContact CE3-CE3 4.13Å; W805-W812 AromaticContact CE3-CG 3.84Å; W805-W812 HydrophobicContact CE3-CG 3.84Å; W805-W812 HydrophobicContact CE3-CH2 4.42Å; W805-W812 AromaticContact CE3-CZ2 3.94Å; W805-W812 HydrophobicContact CE3-CZ2 3.94Å; W805-W812 AromaticContact CE3-NE1 3.68Å; W805-W812 AromaticContact CZ3-CD1 3.74Å; W805-W812 HydrophobicContact CZ3-CD2 4.24Å; W805-W812 AromaticContact CZ3-CE2 3.95Å; W805-W812 HydrophobicContact CZ3-CG 4.1Å; W805-W812 AromaticContact CZ3-NE1 3.64Å; W805-S836 PolarHBondContact N-O 2.89Å |
| 806 | D | 85.6 | Confident | 84.9 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 107 | 173.3 | -175.9 | -7 | 0 | 0 | 0 | 109.9 | Y804 K808 V809 N810 R811 | Y804-D806 HydrophobicContact CE2-CB 4.07Å; D806-K808 PolarHBondContact O-N 2.94Å; D806-K808 VanDerWaalsContact OD1-CB 3.29Å; D806-K808 WeakPolarHBondContact OD1-CB 3.38Å; D806-K808 PolarHBondContact OD1-N 3.48Å; D806-V809 PolarHBondContact O-N 3.47Å; D806-V809 WeakPolarHBondContact OD2-CG2 3.4Å; D806-N810 WeakPolarHBondContact O-CA 3.25Å; D806-N810 PolarHBondContact O-N 2.94Å; D806-R811 PolarHBondContact N-O 3.29Å |
| 807 | L | 77.7 | Confident | 85.6 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22 | 177.7 | -70.1 | 166.8 | 0 | 0 | 0 | 113.7 | W805 N810 | W805-L807 PolarHBondContact O-N 3.31Å; L807-N810 PolarHBondContact O-ND2 3.27Å; L807-N810 VanDerWaalsContact O-ND2 3.15Å |
| 808 | K | 76 | Confident | 86 | Confident | 175 Ų | 175 | 63 Ų | 63 | 76% | 0.761 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -48.2 | 179 | -62.3 | 178.3 | -178.4 | 173.7 | 0 | 111 | D806 | D806-K808 PolarHBondContact O-N 2.94Å; D806-K808 VanDerWaalsContact OD1-CB 3.29Å; D806-K808 WeakPolarHBondContact OD1-CB 3.38Å; D806-K808 PolarHBondContact OD1-N 3.48Å |
| 809 | V | 77.4 | Confident | 86.5 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -13.2 | -176.9 | -172.4 | 0 | 0 | 0 | 0 | 111.9 | D806 R811 | D806-V809 PolarHBondContact O-N 3.47Å; D806-V809 WeakPolarHBondContact OD2-CG2 3.4Å; V809-R811 VanDerWaalsContact C-N 3.33Å; V809-R811 HydrophobicContact CB-CG 3.92Å; V809-R811 HydrophobicContact CG1-CB 4.41Å; V809-R811 VanDerWaalsContact CG1-CD 3.42Å; V809-R811 HydrophobicContact CG1-CG 3.72Å |
| 810 | N | 78.9 | Confident | 86.8 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 49.7 | -174.6 | -65.7 | -91.6 | 0 | 0 | 0 | 111.6 | H656 S659 W805 D806 L807 | H656-N810 PolarHBondContact CE1-ND2 2.95Å; H656-N810 PolarHBondContact ND1-ND2 3.22Å; H656-N810 PolarHBondContact ND1-OD1 3.03Å; S659-N810 VanDerWaalsContact CB-OD1 3.27Å; S659-N810 WeakPolarHBondContact CB-OD1 3.35Å; S659-N810 PolarHBondContact OG-OD1 3.06Å; W805-N810 HydrophobicContact CH2-CB 4.47Å; W805-N810 WeakPolarHBondContact CH2-O 3.21Å; W805-N810 VanDerWaalsContact CZ2-CA 3.5Å; W805-N810 HydrophobicContact CZ2-CB 3.81Å; W805-N810 WeakPolarHBondContact CZ2-O 3.44Å; D806-N810 WeakPolarHBondContact O-CA 3.25Å; D806-N810 PolarHBondContact O-N 2.94Å; L807-N810 PolarHBondContact O-ND2 3.27Å; L807-N810 VanDerWaalsContact O-ND2 3.15Å |
| 811 | R | 84 | Confident | 86.8 | Confident | 133 Ų | 133 | 66 Ų | 66 | 50% | 0.502 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 156.6 | 177.1 | 70.3 | -179.1 | -89.2 | 161.8 | -11.1 | 111 | W805 D806 V809 | W805-R811 VanDerWaalsContact CE3-C 3.48Å; D806-R811 PolarHBondContact N-O 3.29Å; V809-R811 VanDerWaalsContact C-N 3.33Å; V809-R811 HydrophobicContact CB-CG 3.92Å; V809-R811 HydrophobicContact CG1-CB 4.41Å; V809-R811 VanDerWaalsContact CG1-CD 3.42Å; V809-R811 HydrophobicContact CG1-CG 3.72Å |
| 812 | W | 89.1 | Confident | 86.7 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 141.1 | 164.8 | -65.1 | 108.2 | 0 | 0 | 0 | 110.9 | L735 V761 V765 V803 Y804 W805 A838 M840 | L735-W812 HydrophobicContact CB-CZ2 3.82Å; L735-W812 HydrophobicContact CD1-CH2 4.24Å; L735-W812 HydrophobicContact CD1-CZ2 3.78Å; L735-W812 HydrophobicContact CG-CZ2 4.49Å; L735-W812 PolarHBondContact O-NE1 3.38Å; V761-W812 HydrophobicContact CG1-CZ2 4.46Å; V761-W812 HydrophobicContact CG2-CZ2 4.09Å; V765-W812 HydrophobicContact CG1-CH2 3.99Å; V765-W812 HydrophobicContact CG2-CH2 3.96Å; V765-W812 HydrophobicContact CG2-CZ2 4.24Å; V803-W812 HydrophobicContact CB-CB 4.19Å; V803-W812 HydrophobicContact CB-CE3 4.03Å; V803-W812 HydrophobicContact CG1-CB 4.5Å; V803-W812 HydrophobicContact CG2-CB 4.3Å; V803-W812 HydrophobicContact CG2-CD2 3.95Å; V803-W812 HydrophobicContact CG2-CE3 3.54Å; V803-W812 HydrophobicContact CG2-CG 4.28Å; V803-W812 HydrophobicContact CG2-CZ3 4.23Å; Y804-W812 VanDerWaalsContact C-CE3 3.41Å; Y804-W812 WeakPolarHBondContact O-CA 3.48Å; W805-W812 HydrophobicContact CB-CE3 3.98Å; W805-W812 HydrophobicContact CB-CH2 3.96Å; W805-W812 HydrophobicContact CB-CZ3 3.63Å; W805-W812 AromaticContact CE3-CD1 3.89Å; W805-W812 AromaticContact CE3-CD2 3.6Å; W805-W812 HydrophobicContact CE3-CD2 3.6Å; W805-W812 AromaticContact CE3-CE2 3.49Å; W805-W812 VanDerWaalsContact CE3-CE2 3.49Å; W805-W812 HydrophobicContact CE3-CE3 4.13Å; W805-W812 AromaticContact CE3-CG 3.84Å; W805-W812 HydrophobicContact CE3-CG 3.84Å; W805-W812 HydrophobicContact CE3-CH2 4.42Å; W805-W812 AromaticContact CE3-CZ2 3.94Å; W805-W812 HydrophobicContact CE3-CZ2 3.94Å; W805-W812 AromaticContact CE3-NE1 3.68Å; W805-W812 AromaticContact CZ3-CD1 3.74Å; W805-W812 HydrophobicContact CZ3-CD2 4.24Å; W805-W812 AromaticContact CZ3-CE2 3.95Å; W805-W812 HydrophobicContact CZ3-CG 4.1Å; W805-W812 AromaticContact CZ3-NE1 3.64Å; W812-A838 HydrophobicContact CH2-CB 3.72Å; W812-A838 HydrophobicContact CZ2-CB 4.34Å; W812-A838 HydrophobicContact CZ3-CB 3.82Å; W812-M840 HydrophobicContact CB-CE 3.4Å; W812-M840 VanDerWaalsContact CD1-CE 3.5Å; W812-M840 HydrophobicContact CD2-CE 4.43Å; W812-M840 HydrophobicContact CG-CE 3.48Å; W812-M840 VanDerWaalsContact CG-CE 3.48Å |
| 813 | D | 88.6 | Confident | 86.4 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 155.2 | -179 | -171.9 | 22.9 | 0 | 0 | 0 | 111.1 | V803 Y804 H815 | V803-D813 CarbonylContact C-O 3.46Å; V803-D813 WeakPolarHBondContact CA-O 3.5Å; V803-D813 WeakPolarHBondContact CB-O 3.22Å; Y804-D813 HydrophobicContact CD1-CB 4.27Å; Y804-D813 WeakPolarHBondContact CD1-O 3.16Å; Y804-D813 HydrophobicContact CE1-CB 3.62Å; Y804-D813 PolarHBondContact N-O 3.21Å; Y804-D813 PolarHBondContact O-N 3.05Å; Y804-D813 PolarHBondContact OH-OD2 3.4Å; D813-H815 IonicContact OD1-CE1 2.79Å; D813-H815 PolarHBondContact OD1-CE1 3.3Å; D813-H815 IonicContact OD1-CG 3.81Å; D813-H815 IonicContact OD1-ND1 3.86Å; D813-H815 PolarHBondContact OD1-ND1 3.25Å; D813-H815 IonicContact OD2-CE1 2.71Å; D813-H815 IonicContact OD2-CG 3.49Å; D813-H815 IonicContact OD2-ND1 3.47Å; D813-H815 PolarHBondContact OD2-ND1 2.93Å |
| 814 | T | 87.8 | Confident | 85.9 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 43% | 0.429 | 37% | 0.371 | S | S | . | . | trans | -105.4 | -6.4 | -175.7 | 53.4 | 0 | 0 | 0 | 0 | 112.9 | V803 G816 C817 | V803-T814 HydrophobicContact CG1-CG2 3.78Å; T814-G816 PolarHBondContact O-N 2.86Å; T814-C817 PolarHBondContact O-N 3.44Å; T814-C817 VanDerWaalsContact O-N 3.09Å | ||
| 815 | H | 86.6 | Confident | 85.7 | Confident | 128 Ų | 128 | 78 Ų | 78 | 59% | 0.593 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 127.9 | -177.1 | -68.8 | 93.2 | 0 | 0 | 0 | 112.2 | Y804 D813 C817 H833 | Y804-H815 WeakPolarHBondContact CD1-O 3.4Å; Y804-H815 HydrophobicContact CE1-CB 4.11Å; Y804-H815 WeakPolarHBondContact CE1-O 3.36Å; D813-H815 IonicContact OD1-CE1 2.79Å; D813-H815 PolarHBondContact OD1-CE1 3.3Å; D813-H815 IonicContact OD1-CG 3.81Å; D813-H815 IonicContact OD1-ND1 3.86Å; D813-H815 PolarHBondContact OD1-ND1 3.25Å; D813-H815 IonicContact OD2-CE1 2.71Å; D813-H815 IonicContact OD2-CG 3.49Å; D813-H815 IonicContact OD2-ND1 3.47Å; D813-H815 PolarHBondContact OD2-ND1 2.93Å; H815-C817 VanDerWaalsContact C-N 3.25Å; H815-C817 PolarHBondContact O-N 3Å; H815-H833 PolarHBondContact O-NE2 3.12Å |
| 816 | G | 85.2 | Confident | 85.8 | Confident | 39 Ų | 39 | 82.2 Ų | 82.2 | 40% | 0.402 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -0.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T814 C831 S832 | T814-G816 PolarHBondContact O-N 2.86Å; G816-C831 CarbonylContact O-C 3.59Å; G816-C831 VanDerWaalsContact O-CA 3.26Å; G816-C831 WeakPolarHBondContact O-CA 3.33Å; G816-S832 PolarHBondContact O-N 3.04Å; G816-S832 PolarHBondContact O-OG 3.22Å |
| 817 | C | 90 | Very high | 86 | Confident | 13 Ų | 13 | 80.6 Ų | 80.6 | 9% | 0.088 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.9 | 179 | -73 | 0 | 0 | 0 | 0 | 111.8 | C802 T814 H815 A830 C831 | C802-C817 HydrophobicContact CB-CB 4.05Å; T814-C817 PolarHBondContact O-N 3.44Å; T814-C817 VanDerWaalsContact O-N 3.09Å; H815-C817 VanDerWaalsContact C-N 3.25Å; H815-C817 PolarHBondContact O-N 3Å; C817-A830 CarbonylContact C-O 3.48Å; C817-A830 WeakPolarHBondContact CA-O 3.22Å; C817-C831 HydrophobicContact CB-CB 4.22Å; C817-C831 WeakPolarHBondContact CB-SG 2.99Å; C817-C831 WeakPolarHBondContact SG-CB 3.36Å; C817-C831 CovalentContact SG-SG 2.05Å; C817-C831 PolarHBondContact SG-SG 3.5Å |
| 818 | Q | 89 | Confident | 86.6 | Confident | 140 Ų | 140 | 78.5 Ų | 78.5 | 65% | 0.654 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.7 | 179.9 | -64.2 | -175.7 | -1.7 | 0 | 0 | 111.7 | C829 A830 | Q818-C829 CarbonylContact O-C 3.56Å; Q818-C829 WeakPolarHBondContact O-CA 3.25Å; Q818-A830 PolarHBondContact N-O 2.91Å; Q818-A830 PolarHBondContact O-N 2.92Å |
| 819 | L | 91.2 | Very high | 87.4 | Confident | 68 Ų | 68 | 70.3 Ų | 70.3 | 36% | 0.356 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 118.5 | 173.7 | -178.1 | 74 | 0 | 0 | 0 | 109.6 | P800 C802 T822 | P800-L819 HydrophobicContact CG-CD2 4.03Å; C802-L819 VanDerWaalsContact SG-CA 3.5Å; L819-T822 HydrophobicContact CD2-CG2 4.29Å |
| 820 | L | 90.8 | Very high | 87.9 | Confident | 102 Ų | 102 | 66.6 Ų | 66.6 | 53% | 0.534 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -49.2 | 177.7 | -64.2 | -174.4 | 0 | 0 | 0 | 111.9 | V786 V828 A830 | V786-L820 HydrophobicContact CG1-CD1 4.3Å; V786-L820 HydrophobicContact CG2-CD1 4.48Å; L820-V828 HydrophobicContact CB-CB 4.46Å; L820-V828 HydrophobicContact CB-CG1 4.35Å; L820-V828 HydrophobicContact CD1-CG1 4.28Å; L820-V828 PolarHBondContact N-O 3.34Å; L820-A830 HydrophobicContact CD1-CB 3.88Å; L820-A830 HydrophobicContact CD2-CB 3.98Å; L820-A830 HydrophobicContact CG-CB 3.86Å |
| 821 | N | 89.3 | Confident | 88.4 | Confident | 95 Ų | 95 | 65.6 Ų | 65.6 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 150.1 | -178 | -167.1 | 14.3 | 0 | 0 | 0 | 110 | V828 | N821-V828 HydrophobicContact CB-CB 4.45Å; N821-V828 HydrophobicContact CB-CG2 4.47Å; N821-V828 PolarHBondContact N-O 2.82Å; N821-V828 PolarHBondContact O-N 2.95Å |
| 822 | T | 89.9 | Confident | 88.4 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 138.8 | 176.7 | -166.3 | 0 | 0 | 0 | 0 | 111.8 | P800 L819 S827 | P800-T822 HydrophobicContact CG-CG2 3.94Å; P800-T822 WeakPolarHBondContact CG-OG1 3.37Å; L819-T822 HydrophobicContact CD2-CG2 4.29Å; T822-S827 PolarHBondContact OG1-OG 3.42Å |
| 823 | T | 85.8 | Confident | 88.3 | Confident | 47 Ų | 47 | 61 Ų | 61 | 29% | 0.288 | 32% | 0.316 | S | S | . | . | trans | -117.4 | 179.8 | 170 | 69.7 | 0 | 0 | 0 | 0 | 109.2 | H791 N825 Y826 | H791-T823 PolarHBondContact CE1-O 3.48Å; H791-T823 VanDerWaalsContact CE1-O 3.27Å; T823-N825 PolarHBondContact O-N 3.47Å; T823-N825 PolarHBondContact OG1-N 3.37Å; T823-Y826 HydrophobicContact CG2-CD1 4.37Å; T823-Y826 HydrophobicContact CG2-CE1 3.72Å; T823-Y826 HydrophobicContact CG2-CE2 3.93Å; T823-Y826 VanDerWaalsContact CG2-CZ 3.47Å; T823-Y826 PolarHBondContact N-O 3.02Å; T823-Y826 WeakPolarHBondContact OG1-CD1 3.37Å; T823-Y826 VanDerWaalsContact OG1-CE1 3.23Å; T823-Y826 WeakPolarHBondContact OG1-CE1 3.11Å; T823-Y826 PolarHBondContact OG1-N 2.95Å; T823-Y826 VanDerWaalsContact OG1-N 3.1Å; T823-Y826 PolarHBondContact OG1-O 3.22Å | ||
| 824 | R | 81.7 | Confident | 87.9 | Confident | 217 Ų | 217 | 60.7 Ų | 60.7 | 82% | 0.819 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -64.3 | -27 | 173.3 | -68.8 | -174.2 | -179.8 | 178.6 | 0.1 | 113 | H791 T794 | H791-R824 PolarHBondContact ND1-O 3.14Å; T794-R824 VanDerWaalsContact CG2-O 3.27Å; T794-R824 WeakPolarHBondContact CG2-O 3.42Å |
| 825 | N | 86.5 | Confident | 87.9 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -107.2 | -19.9 | -169.3 | -64.6 | -17.7 | 0 | 0 | 0 | 113.7 | R790 H791 T823 | R790-N825 WeakPolarHBondContact CA-O 3.41Å; R790-N825 WeakPolarHBondContact CG-O 3.4Å; H791-N825 PolarHBondContact N-O 3.36Å; T823-N825 PolarHBondContact O-N 3.47Å; T823-N825 PolarHBondContact OG1-N 3.37Å |
| 826 | Y | 90.1 | Very high | 88 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 37% | 0.373 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 156.5 | -177.9 | 67 | -93.7 | 0 | 0 | 0 | 111.2 | T788 L789 T823 V828 | T788-Y826 HydrophobicContact CG2-CD2 3.68Å; T788-Y826 HydrophobicContact CG2-CE2 4.28Å; T788-Y826 HydrophobicContact CG2-CG 4.24Å; L789-Y826 CarbonylContact O-C 3.55Å; L789-Y826 WeakPolarHBondContact O-CA 3.49Å; L789-Y826 WeakPolarHBondContact O-CB 3.49Å; T823-Y826 HydrophobicContact CG2-CD1 4.37Å; T823-Y826 HydrophobicContact CG2-CE1 3.72Å; T823-Y826 HydrophobicContact CG2-CE2 3.93Å; T823-Y826 VanDerWaalsContact CG2-CZ 3.47Å; T823-Y826 PolarHBondContact N-O 3.02Å; T823-Y826 WeakPolarHBondContact OG1-CD1 3.37Å; T823-Y826 VanDerWaalsContact OG1-CE1 3.23Å; T823-Y826 WeakPolarHBondContact OG1-CE1 3.11Å; T823-Y826 PolarHBondContact OG1-N 2.95Å; T823-Y826 VanDerWaalsContact OG1-N 3.1Å; T823-Y826 PolarHBondContact OG1-O 3.22Å; Y826-V828 HydrophobicContact CD2-CG2 4.1Å; Y826-V828 HydrophobicContact CE2-CG2 3.96Å |
| 827 | S | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 148.7 | 170.5 | -68 | 0 | 0 | 0 | 0 | 110.5 | L789 H791 P800 T822 | L789-S827 PolarHBondContact N-O 3.41Å; L789-S827 PolarHBondContact O-N 2.81Å; H791-S827 PolarHBondContact NE2-OG 2.88Å; P800-S827 WeakPolarHBondContact CB-OG 3.35Å; T822-S827 PolarHBondContact OG1-OG 3.42Å |
| 828 | V | 91.4 | Very high | 88.5 | Confident | 22 Ų | 22 | 50 Ų | 50 | 13% | 0.133 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.9 | 176.8 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | V786 L787 T788 L820 N821 Y826 | V786-V828 HydrophobicContact CG1-CG1 3.69Å; L787-V828 CarbonylContact O-C 3.52Å; L787-V828 WeakPolarHBondContact O-CA 3.35Å; T788-V828 HydrophobicContact CG2-CG2 4.16Å; L820-V828 HydrophobicContact CB-CB 4.46Å; L820-V828 HydrophobicContact CB-CG1 4.35Å; L820-V828 HydrophobicContact CD1-CG1 4.28Å; L820-V828 PolarHBondContact N-O 3.34Å; N821-V828 HydrophobicContact CB-CB 4.45Å; N821-V828 HydrophobicContact CB-CG2 4.47Å; N821-V828 PolarHBondContact N-O 2.82Å; N821-V828 PolarHBondContact O-N 2.95Å; Y826-V828 HydrophobicContact CD2-CG2 4.1Å; Y826-V828 HydrophobicContact CE2-CG2 3.96Å |
| 829 | C | 91 | Very high | 88.6 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143.9 | -177.3 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | V786 L787 C802 Q818 I839 | V786-C829 CarbonylContact C-O 3.56Å; V786-C829 VanDerWaalsContact CA-O 3.3Å; V786-C829 WeakPolarHBondContact CA-O 3.26Å; L787-C829 PolarHBondContact N-O 2.91Å; L787-C829 PolarHBondContact O-N 3.11Å; C802-C829 HydrophobicContact CB-CB 3.66Å; C802-C829 WeakPolarHBondContact CB-SG 3.42Å; C802-C829 WeakPolarHBondContact SG-CA 3.31Å; C802-C829 WeakPolarHBondContact SG-CB 3.37Å; C802-C829 CovalentContact SG-SG 2.01Å; C802-C829 PolarHBondContact SG-SG 2.94Å; Q818-C829 CarbonylContact O-C 3.56Å; Q818-C829 WeakPolarHBondContact O-CA 3.25Å; C829-I839 WeakPolarHBondContact SG-CD1 3.38Å |
| 830 | A | 88.9 | Confident | 88.5 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P784 V785 C817 Q818 L820 | P784-A830 HydrophobicContact CB-CB 4.1Å; P784-A830 HydrophobicContact CG-CB 3.85Å; V785-A830 CarbonylContact O-C 3.6Å; V785-A830 WeakPolarHBondContact O-CA 3.21Å; C817-A830 CarbonylContact C-O 3.48Å; C817-A830 WeakPolarHBondContact CA-O 3.22Å; Q818-A830 PolarHBondContact N-O 2.91Å; Q818-A830 PolarHBondContact O-N 2.92Å; L820-A830 HydrophobicContact CD1-CB 3.88Å; L820-A830 HydrophobicContact CD2-CB 3.98Å; L820-A830 HydrophobicContact CG-CB 3.86Å |
| 831 | C | 88.6 | Confident | 88.2 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.9 | 179.2 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | P784 V785 G816 C817 H833 F837 | P784-C831 CarbonylContact C-O 2.93Å; P784-C831 WeakPolarHBondContact CA-O 3.37Å; P784-C831 WeakPolarHBondContact CB-O 3.38Å; V785-C831 PolarHBondContact N-O 2.88Å; V785-C831 PolarHBondContact O-N 2.81Å; G816-C831 CarbonylContact O-C 3.59Å; G816-C831 VanDerWaalsContact O-CA 3.26Å; G816-C831 WeakPolarHBondContact O-CA 3.33Å; C817-C831 HydrophobicContact CB-CB 4.22Å; C817-C831 WeakPolarHBondContact CB-SG 2.99Å; C817-C831 WeakPolarHBondContact SG-CB 3.36Å; C817-C831 CovalentContact SG-SG 2.05Å; C817-C831 PolarHBondContact SG-SG 3.5Å; C831-H833 VanDerWaalsContact C-N 3.33Å; C831-H833 PolarHBondContact O-N 3.19Å; C831-F837 HydrophobicContact CB-CD1 4.12Å; C831-F837 HydrophobicContact CB-CE1 3.55Å; C831-F837 HydrophobicContact CB-CZ 4.17Å; C831-F837 VanDerWaalsContact SG-CD1 3.54Å; C831-F837 VanDerWaalsContact SG-CE1 3.6Å |
| 832 | S | 85.2 | Confident | 87.9 | Confident | 45 Ų | 45 | 32.7 Ų | 32.7 | 32% | 0.315 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -87.6 | 6.4 | -176 | 67.6 | 0 | 0 | 0 | 0 | 114.7 | L779 G816 | L779-S832 PolarHBondContact N-O 3.01Å; G816-S832 PolarHBondContact O-N 3.04Å; G816-S832 PolarHBondContact O-OG 3.22Å |
| 833 | H | 85.6 | Confident | 87.1 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 168 | -177.8 | 54.7 | 72.5 | 0 | 0 | 0 | 110.9 | I777 Y804 H815 C831 T835 F837 | I777-H833 WeakPolarHBondContact O-CA 2.98Å; Y804-H833 AromaticContact CD1-CE1 3.58Å; Y804-H833 AromaticContact CD1-NE2 3.67Å; Y804-H833 AromaticContact CD2-CE1 3.69Å; Y804-H833 AromaticContact CE1-NE2 3.87Å; Y804-H833 AromaticContact CG-CE1 3.37Å; Y804-H833 AromaticContact CG-NE2 3.94Å; H815-H833 PolarHBondContact O-NE2 3.12Å; C831-H833 VanDerWaalsContact C-N 3.33Å; C831-H833 PolarHBondContact O-N 3.19Å; H833-T835 PolarHBondContact CE1-OG1 2.76Å; H833-T835 VanDerWaalsContact CE1-OG1 3.28Å; H833-T835 PolarHBondContact ND1-OG1 3.38Å; H833-T835 VanDerWaalsContact ND1-OG1 3.08Å; H833-F837 AromaticContact CE1-CE1 3.89Å; H833-F837 AromaticContact ND1-CE1 3.9Å; H833-F837 WeakPolarHBondContact O-CZ 3.39Å |
| 834 | L | 81.1 | Confident | 86 | Confident | 16 Ų | 16 | 29.1 Ų | 29.1 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.3 | 175.5 | -65.4 | 174.4 | 0 | 0 | 0 | 110.1 | F700 A768 V770 I777 V785 | F700-L834 HydrophobicContact CZ-CD1 4.48Å; A768-L834 HydrophobicContact CB-CD2 3.97Å; A768-L834 CarbonylContact O-C 3.47Å; V770-L834 HydrophobicContact CG2-CD1 3.57Å; I777-L834 PolarHBondContact O-N 3.23Å; V785-L834 HydrophobicContact CG2-CD2 3.7Å |
| 835 | T | 86.9 | Confident | 84.5 | Confident | 18 Ų | 18 | 22.1 Ų | 22.1 | 11% | 0.11 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -156.7 | -162.1 | -178.8 | 55.9 | 0 | 0 | 0 | 0 | 109.8 | S767 A768 P776 Y804 H833 F837 | S767-T835 WeakPolarHBondContact CA-O 3.49Å; A768-T835 PolarHBondContact N-O 3.4Å; A768-T835 VanDerWaalsContact N-O 3.09Å; A768-T835 PolarHBondContact O-N 2.79Å; P776-T835 HydrophobicContact CB-CG2 3.87Å; P776-T835 HydrophobicContact CG-CG2 4.28Å; Y804-T835 WeakPolarHBondContact CB-OG1 3.48Å; Y804-T835 HydrophobicContact CD2-CG2 4.2Å; H833-T835 PolarHBondContact CE1-OG1 2.76Å; H833-T835 VanDerWaalsContact CE1-OG1 3.28Å; H833-T835 PolarHBondContact ND1-OG1 3.38Å; H833-T835 VanDerWaalsContact ND1-OG1 3.08Å; T835-F837 WeakPolarHBondContact O-CD2 3.38Å; T835-F837 WeakPolarHBondContact O-CE2 3.07Å; T835-F837 WeakPolarHBondContact OG1-CE1 3.12Å; T835-F837 WeakPolarHBondContact OG1-CZ 3.49Å |
| 836 | S | 90.1 | Very high | 82.5 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.9 | 172.6 | -42 | 0 | 0 | 0 | 0 | 111.9 | V766 S767 Y804 W805 | V766-S836 CarbonylContact O-C 3.39Å; V766-S836 WeakPolarHBondContact O-CA 3.47Å; S767-S836 WeakPolarHBondContact CB-OG 3.44Å; S767-S836 PolarHBondContact OG-OG 2.95Å; Y804-S836 CarbonylContact C-O 3.58Å; Y804-S836 WeakPolarHBondContact CA-O 3.06Å; W805-S836 PolarHBondContact N-O 2.89Å |
| 837 | F | 92.1 | Very high | 80.1 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 149.3 | -173.3 | -51.2 | -75.2 | 0 | 0 | 0 | 112.7 | V765 V766 L787 V803 C831 H833 T835 | V765-F837 WeakPolarHBondContact CA-O 3.3Å; V766-F837 PolarHBondContact N-O 3.02Å; V766-F837 WeakPolarHBondContact O-CD2 3.49Å; V766-F837 PolarHBondContact O-N 2.6Å; L787-F837 HydrophobicContact CD1-CB 3.93Å; L787-F837 HydrophobicContact CD1-CD1 4.2Å; L787-F837 HydrophobicContact CD1-CD2 3.34Å; L787-F837 HydrophobicContact CD1-CE2 3.86Å; L787-F837 HydrophobicContact CD1-CG 3.53Å; L787-F837 HydrophobicContact CD1-CZ 4.48Å; V803-F837 WeakPolarHBondContact O-CA 3.29Å; C831-F837 HydrophobicContact CB-CD1 4.12Å; C831-F837 HydrophobicContact CB-CE1 3.55Å; C831-F837 HydrophobicContact CB-CZ 4.17Å; C831-F837 VanDerWaalsContact SG-CD1 3.54Å; C831-F837 VanDerWaalsContact SG-CE1 3.6Å; H833-F837 AromaticContact CE1-CE1 3.89Å; H833-F837 AromaticContact ND1-CE1 3.9Å; H833-F837 WeakPolarHBondContact O-CZ 3.39Å; T835-F837 WeakPolarHBondContact O-CD2 3.38Å; T835-F837 WeakPolarHBondContact O-CE2 3.07Å; T835-F837 WeakPolarHBondContact OG1-CE1 3.12Å; T835-F837 WeakPolarHBondContact OG1-CZ 3.49Å |
| 838 | A | 92.6 | Very high | 77.7 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 171.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V761 S763 V765 V803 W812 | V761-A838 HydrophobicContact CG1-CB 3.69Å; S763-A838 WeakPolarHBondContact OG-CA 3.37Å; V765-A838 HydrophobicContact CG2-CB 4.24Å; V803-A838 HydrophobicContact CG2-CB 4.31Å; V803-A838 VanDerWaalsContact CG2-O 3.25Å; V803-A838 WeakPolarHBondContact CG2-O 3.4Å; V803-A838 PolarHBondContact N-O 2.83Å; V803-A838 PolarHBondContact O-N 3.17Å; W812-A838 HydrophobicContact CH2-CB 3.72Å; W812-A838 HydrophobicContact CZ2-CB 4.34Å; W812-A838 HydrophobicContact CZ3-CB 3.82Å |
| 839 | I | 91.2 | Very high | 75.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.5 | 168.7 | -55.2 | -59.6 | 0 | 0 | 0 | 108.9 | V761 N762 S763 L789 P800 C829 M841 | V761-I839 CarbonylContact C-O 3.59Å; N762-I839 PolarHBondContact N-O 3.25Å; S763-I839 PolarHBondContact OG-N 2.82Å; L789-I839 HydrophobicContact CB-CD1 4.27Å; L789-I839 HydrophobicContact CB-CG1 3.73Å; L789-I839 HydrophobicContact CD1-CD1 4.01Å; L789-I839 HydrophobicContact CD1-CG1 3.89Å; L789-I839 HydrophobicContact CG-CG1 4.45Å; P800-I839 HydrophobicContact CB-CG2 3.98Å; C829-I839 WeakPolarHBondContact SG-CD1 3.38Å; I839-M841 HydrophobicContact CG2-CG 4.09Å |
| 840 | M | 89.2 | Confident | 72.8 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 10% | 0.099 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.8 | 168.3 | -162.8 | 178.4 | -63.2 | 0 | 0 | 109.7 | P737 T759 I760 P800 R801 V803 W812 | P737-M840 HydrophobicContact CB-CE 4.16Å; P737-M840 HydrophobicContact CB-SD 4.2Å; P737-M840 HydrophobicContact CG-CE 3.68Å; P737-M840 HydrophobicContact CG-CG 4.5Å; P737-M840 HydrophobicContact CG-SD 3.75Å; T759-M840 HydrophobicContact CG2-SD 4.32Å; I760-M840 WeakPolarHBondContact O-CA 3.47Å; I760-M840 WeakPolarHBondContact O-CG 3.34Å; P800-M840 CarbonylContact C-O 3.54Å; P800-M840 WeakPolarHBondContact CA-O 3.31Å; R801-M840 PolarHBondContact N-O 3.1Å; R801-M840 PolarHBondContact O-N 3.42Å; V803-M840 HydrophobicContact CG1-CB 4.24Å; V803-M840 HydrophobicContact CG1-CE 4.35Å; V803-M840 HydrophobicContact CG2-CB 4.12Å; V803-M840 HydrophobicContact CG2-CE 4.28Å; W812-M840 HydrophobicContact CB-CE 3.4Å; W812-M840 VanDerWaalsContact CD1-CE 3.5Å; W812-M840 HydrophobicContact CD2-CE 4.43Å; W812-M840 HydrophobicContact CG-CE 3.48Å; W812-M840 VanDerWaalsContact CG-CE 3.48Å |
| 841 | M | 85.4 | Confident | 70.5 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.3 | 175.5 | -71.7 | -174.6 | 77.6 | 0 | 0 | 110.4 | T759 I760 N762 V797 P800 I839 | T759-M841 WeakPolarHBondContact CA-O 3.21Å; I760-M841 PolarHBondContact N-O 3.29Å; I760-M841 PolarHBondContact O-N 3.45Å; N762-M841 HydrophobicContact CB-CB 4.18Å; N762-M841 HydrophobicContact CB-CG 4.16Å; N762-M841 HydrophobicContact CB-SD 4.24Å; N762-M841 PolarHBondContact ND2-SD 2.88Å; V797-M841 HydrophobicContact CB-CB 4.09Å; V797-M841 HydrophobicContact CB-CE 3.82Å; V797-M841 HydrophobicContact CB-SD 4.17Å; V797-M841 HydrophobicContact CG2-CE 3.76Å; V797-M841 HydrophobicContact CG2-SD 4.01Å; V797-M841 WeakPolarHBondContact O-CE 3.08Å; P800-M841 HydrophobicContact CB-CE 4.4Å; P800-M841 HydrophobicContact CB-CG 3.99Å; P800-M841 HydrophobicContact CB-SD 4.29Å; I839-M841 HydrophobicContact CG2-CG 4.09Å |
| 842 | D | 81.4 | Confident | 68.4 | Low | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.053 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.2 | 173.7 | -57.6 | -16.1 | 0 | 0 | 0 | 107.3 | N757 T759 V797 E798 N799 R801 T844 | N757-D842 HydrophobicContact CB-CB 4.01Å; T759-D842 VanDerWaalsContact CG2-OD1 3.25Å; T759-D842 WeakPolarHBondContact CG2-OD1 3.34Å; V797-D842 WeakPolarHBondContact CA-O 3.33Å; E798-D842 PolarHBondContact N-O 2.93Å; E798-D842 PolarHBondContact O-N 3.37Å; N799-D842 HydrophobicContact CB-CB 4.48Å; N799-D842 WeakPolarHBondContact CB-OD2 3.4Å; N799-D842 PolarHBondContact ND2-OD2 3.06Å; R801-D842 IonicContact NH2-OD1 3.41Å; R801-D842 PolarHBondContact NH2-OD1 3.09Å; R801-D842 IonicContact NH2-OD2 3.95Å; R801-D842 PolarHBondContact NH2-OD2 2.93Å; D842-T844 PolarHBondContact O-N 3.49Å; D842-T844 VanDerWaalsContact O-N 3.07Å |
| 843 | V | 73.1 | Confident | 66.7 | Low | 24 Ų | 24 | 44.4 Ų | 44.4 | 15% | 0.145 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 104.8 | 170.8 | -178.1 | 0 | 0 | 0 | 0 | 106.9 | E758 I760 N796 D845 | E758-V843 HydrophobicContact CB-CB 4.34Å; E758-V843 WeakPolarHBondContact O-CB 3.44Å; E758-V843 WeakPolarHBondContact O-CG2 3.41Å; E758-V843 PolarHBondContact O-N 2.87Å; I760-V843 HydrophobicContact CB-CG2 4.21Å; I760-V843 HydrophobicContact CD1-CG2 3.76Å; I760-V843 HydrophobicContact CG1-CG2 3.69Å; I760-V843 HydrophobicContact CG2-CG2 3.57Å; N796-V843 CarbonylContact O-C 3.59Å; N796-V843 WeakPolarHBondContact O-CA 3.47Å; V843-D845 VanDerWaalsContact C-N 3.25Å; V843-D845 PolarHBondContact O-N 3.42Å; V843-D845 VanDerWaalsContact O-N 3.14Å |
| 844 | T | 63.4 | Low | 65.1 | Low | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -85.1 | 81.7 | 168.9 | 53.9 | 0 | 0 | 0 | 0 | 106.9 | N796 E798 D842 K846 | N796-T844 VanDerWaalsContact C-OG1 3.23Å; N796-T844 VanDerWaalsContact CB-O 3.3Å; N796-T844 WeakPolarHBondContact CB-O 3.46Å; N796-T844 CarbonylContact O-C 3.51Å; N796-T844 PolarHBondContact O-N 3.15Å; N796-T844 PolarHBondContact O-OG1 3.13Å; E798-T844 HydrophobicContact CB-CG2 3.81Å; E798-T844 HydrophobicContact CG-CG2 3.89Å; D842-T844 PolarHBondContact O-N 3.49Å; D842-T844 VanDerWaalsContact O-N 3.07Å; T844-K846 PolarHBondContact O-N 2.83Å | ||
| 845 | D | 50.9 | Low | 63.8 | Low | 70 Ų | 70 | 48.8 Ų | 48.8 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | trans | -59.8 | 97.5 | 155 | -85.5 | -22.3 | 0 | 0 | 0 | 105.9 | V843 W847 S848 Q849 | V843-D845 VanDerWaalsContact C-N 3.25Å; V843-D845 PolarHBondContact O-N 3.42Å; V843-D845 VanDerWaalsContact O-N 3.14Å; D845-W847 HydrophobicContact CB-CB 4.46Å; D845-W847 PolarHBondContact O-N 3.27Å; D845-S848 WeakPolarHBondContact CB-OG 3.3Å; D845-S848 PolarHBondContact O-N 2.89Å; D845-S848 PolarHBondContact O-OG 2.89Å; D845-S848 VanDerWaalsContact O-OG 3.06Å; D845-Q849 PolarHBondContact O-N 3.44Å | ||
| 846 | K | 44.1 | Very low | 62.6 | Low | 121 Ų | 121 | 55 Ų | 55 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -10.7 | 166.1 | -76.2 | -173.1 | 174.6 | -179.4 | 0 | 111.2 | T844 T1071 | T844-K846 PolarHBondContact O-N 2.83Å; K846-T1071 HydrophobicContact CD-CG2 4.31Å |
| 847 | W | 39.5 | Very low | 61.5 | Low | 141 Ų | 141 | 58.1 Ų | 58.1 | 53% | 0.534 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -31.5 | 167.7 | -62.7 | 93.6 | 0 | 0 | 0 | 114.4 | D845 M850 H855 M858 | D845-W847 HydrophobicContact CB-CB 4.46Å; D845-W847 PolarHBondContact O-N 3.27Å; W847-M850 WeakPolarHBondContact O-CB 3.45Å; W847-M850 PolarHBondContact O-N 2.94Å; W847-H855 AromaticContact CE3-NE2 3.29Å; W847-H855 VanDerWaalsContact CE3-NE2 3.29Å; W847-H855 AromaticContact CZ3-NE2 3.64Å; W847-M858 HydrophobicContact CZ3-CE 4.44Å |
| 848 | S | 40.3 | Very low | 60.2 | Low | 68 Ų | 68 | 60 Ų | 60 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -23.1 | -177.3 | 70.9 | 0 | 0 | 0 | 0 | 114.2 | D845 M850 | D845-S848 WeakPolarHBondContact CB-OG 3.3Å; D845-S848 PolarHBondContact O-N 2.89Å; D845-S848 PolarHBondContact O-OG 2.89Å; D845-S848 VanDerWaalsContact O-OG 3.06Å; S848-M850 PolarHBondContact O-N 3.1Å; S848-M850 VanDerWaalsContact O-N 3.15Å |
| 849 | Q | 38.9 | Very low | 59.1 | Low | 142 Ų | 142 | 64.6 Ų | 64.6 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -66 | -8.5 | 162.7 | -75.5 | -173.2 | 18.9 | 0 | 0 | 112.2 | D845 P851 | D845-Q849 PolarHBondContact O-N 3.44Å; Q849-P851 WeakPolarHBondContact O-CD 3.33Å |
| 850 | M | 40.8 | Very low | 58.3 | Low | 48 Ų | 48 | 68.4 Ų | 68.4 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -85.4 | 110.2 | 164.8 | -122.3 | 176.3 | -171 | 0 | 0 | 108.4 | W847 S848 A852 T854 S1073 | W847-M850 WeakPolarHBondContact O-CB 3.45Å; W847-M850 PolarHBondContact O-N 2.94Å; S848-M850 PolarHBondContact O-N 3.1Å; S848-M850 VanDerWaalsContact O-N 3.15Å; M850-A852 PolarHBondContact O-N 3.19Å; M850-T854 HydrophobicContact CE-CG2 3.41Å; M850-T854 VanDerWaalsContact CE-CG2 3.41Å; M850-T854 HydrophobicContact CG-CG2 3.89Å; M850-T854 HydrophobicContact SD-CG2 3.68Å; M850-S1073 VanDerWaalsContact CE-CB 3.45Å; M850-S1073 WeakPolarHBondContact CE-OG 3.46Å |
| 851 | P | 40 | Very low | 57.6 | Low | 78 Ų | 78 | 71.4 Ų | 71.4 | 51% | 0.506 | 37% | 0.37 | S | S | . | . | trans | -52.4 | 141.6 | 177.7 | 20 | -29.4 | 0 | 0 | 0 | 108 | Q849 S853 T854 | Q849-P851 WeakPolarHBondContact O-CD 3.33Å; P851-S853 WeakPolarHBondContact CB-OG 3.39Å; P851-S853 WeakPolarHBondContact CG-OG 3.31Å; P851-S853 CarbonylContact O-C 3.4Å; P851-S853 PolarHBondContact O-N 2.91Å; P851-T854 WeakPolarHBondContact O-CB 3.17Å; P851-T854 PolarHBondContact O-N 3.38Å; P851-T854 PolarHBondContact O-OG1 2.86Å | ||
| 852 | A | 45.3 | Very low | 57.3 | Low | 84 Ų | 84 | 72.5 Ų | 72.5 | 69% | 0.694 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -49 | -20.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M850 T854 W856 | M850-A852 PolarHBondContact O-N 3.19Å; A852-T854 PolarHBondContact O-N 3.43Å; A852-W856 VanDerWaalsContact O-CD1 3.24Å; A852-W856 PolarHBondContact O-N 3.28Å |
| 853 | S | 48.5 | Very low | 57.3 | Low | 61 Ų | 61 | 76.2 Ų | 76.2 | 43% | 0.427 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -53.2 | -28.9 | 168.5 | 61.8 | 0 | 0 | 0 | 0 | 115.2 | P851 W856 L857 | P851-S853 WeakPolarHBondContact CB-OG 3.39Å; P851-S853 WeakPolarHBondContact CG-OG 3.31Å; P851-S853 CarbonylContact O-C 3.4Å; P851-S853 PolarHBondContact O-N 2.91Å; S853-W856 PolarHBondContact O-NE1 2.88Å; S853-L857 WeakPolarHBondContact O-CB 3.47Å; S853-L857 PolarHBondContact O-N 2.85Å |
| 854 | T | 52.1 | Low | 57.8 | Low | 24 Ų | 24 | 79 Ų | 79 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -92.5 | -35.6 | -171.5 | -28.4 | 0 | 0 | 0 | 0 | 111.6 | M850 P851 A852 L857 M858 Y1077 | M850-T854 HydrophobicContact CE-CG2 3.41Å; M850-T854 VanDerWaalsContact CE-CG2 3.41Å; M850-T854 HydrophobicContact CG-CG2 3.89Å; M850-T854 HydrophobicContact SD-CG2 3.68Å; P851-T854 WeakPolarHBondContact O-CB 3.17Å; P851-T854 PolarHBondContact O-N 3.38Å; P851-T854 PolarHBondContact O-OG1 2.86Å; A852-T854 PolarHBondContact O-N 3.43Å; T854-L857 PolarHBondContact O-N 2.92Å; T854-M858 WeakPolarHBondContact O-CB 3.38Å; T854-M858 PolarHBondContact O-N 2.83Å; T854-Y1077 WeakPolarHBondContact CG2-OH 3.19Å |
| 855 | H | 54.6 | Low | 58.8 | Low | 92 Ų | 92 | 79.6 Ų | 79.6 | 43% | 0.426 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 175.6 | -124.5 | -88.7 | 0 | 0 | 0 | 111.4 | W847 L857 N859 | W847-H855 AromaticContact CE3-NE2 3.29Å; W847-H855 VanDerWaalsContact CE3-NE2 3.29Å; W847-H855 AromaticContact CZ3-NE2 3.64Å; H855-L857 VanDerWaalsContact C-N 3.32Å; H855-L857 PolarHBondContact O-N 2.74Å; H855-N859 WeakPolarHBondContact O-CB 3.3Å; H855-N859 PolarHBondContact O-N 2.91Å |
| 856 | W | 60.4 | Low | 60.3 | Low | 149 Ų | 149 | 77.6 Ų | 77.6 | 56% | 0.564 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.1 | -38.3 | 174.3 | 80.4 | -108.2 | 0 | 0 | 0 | 111.4 | A852 S853 N859 L860 | A852-W856 VanDerWaalsContact O-CD1 3.24Å; A852-W856 PolarHBondContact O-N 3.28Å; S853-W856 PolarHBondContact O-NE1 2.88Å; W856-N859 PolarHBondContact O-N 3.06Å; W856-L860 HydrophobicContact CE3-CB 4.23Å; W856-L860 HydrophobicContact CE3-CD2 4.04Å; W856-L860 HydrophobicContact CZ3-CD2 3.55Å; W856-L860 VanDerWaalsContact O-CB 3.22Å; W856-L860 WeakPolarHBondContact O-CB 3.43Å; W856-L860 PolarHBondContact O-N 3.23Å |
| 857 | L | 68.7 | Low | 62.4 | Low | 68 Ų | 68 | 74.3 Ų | 74.3 | 36% | 0.356 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 179.7 | -177.7 | 63 | 0 | 0 | 0 | 111.4 | S853 T854 H855 N859 L860 M861 | S853-L857 WeakPolarHBondContact O-CB 3.47Å; S853-L857 PolarHBondContact O-N 2.85Å; T854-L857 PolarHBondContact O-N 2.92Å; H855-L857 VanDerWaalsContact C-N 3.32Å; H855-L857 PolarHBondContact O-N 2.74Å; L857-N859 VanDerWaalsContact C-N 3.34Å; L857-N859 PolarHBondContact O-N 2.94Å; L857-L860 PolarHBondContact O-N 3.45Å; L857-M861 HydrophobicContact CD1-CG 4.03Å; L857-M861 HydrophobicContact CG-CG 4.27Å; L857-M861 WeakPolarHBondContact O-CB 3.19Å; L857-M861 WeakPolarHBondContact O-CG 3.31Å; L857-M861 PolarHBondContact O-N 3.37Å |
| 858 | M | 64.5 | Low | 64.7 | Low | 44 Ų | 44 | 72.3 Ų | 72.3 | 22% | 0.217 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 177.1 | -169.1 | 178 | 72.2 | 0 | 0 | 111.3 | W847 T854 S862 Y1077 I1080 | W847-M858 HydrophobicContact CZ3-CE 4.44Å; T854-M858 WeakPolarHBondContact O-CB 3.38Å; T854-M858 PolarHBondContact O-N 2.83Å; M858-S862 VanDerWaalsContact O-CB 3.32Å; M858-S862 WeakPolarHBondContact O-CB 3.1Å; M858-S862 PolarHBondContact O-N 3.16Å; M858-S862 PolarHBondContact O-OG 3.34Å; M858-Y1077 HydrophobicContact CB-CE1 4.06Å; M858-Y1077 HydrophobicContact CG-CE1 4.19Å; M858-I1080 HydrophobicContact CG-CD1 3.82Å |
| 859 | N | 68.9 | Low | 67.1 | Low | 97 Ų | 97 | 69 Ų | 69 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.3 | -46.7 | 176 | -168.6 | 28.2 | 0 | 0 | 0 | 111.7 | H855 W856 L857 M861 S862 I863 | H855-N859 WeakPolarHBondContact O-CB 3.3Å; H855-N859 PolarHBondContact O-N 2.91Å; W856-N859 PolarHBondContact O-N 3.06Å; L857-N859 VanDerWaalsContact C-N 3.34Å; L857-N859 PolarHBondContact O-N 2.94Å; N859-M861 PolarHBondContact O-N 2.96Å; N859-S862 WeakPolarHBondContact O-CB 3.27Å; N859-S862 PolarHBondContact O-N 2.67Å; N859-I863 VanDerWaalsContact O-CG1 3.26Å; N859-I863 WeakPolarHBondContact O-CG1 3.25Å; N859-I863 PolarHBondContact O-N 3.19Å |
| 860 | L | 75.3 | Confident | 69.6 | Low | 80 Ų | 80 | 63.3 Ų | 63.3 | 42% | 0.419 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 176.5 | -179.6 | 66.9 | 0 | 0 | 0 | 111.4 | W856 L857 S862 I863 V864 | W856-L860 HydrophobicContact CE3-CB 4.23Å; W856-L860 HydrophobicContact CE3-CD2 4.04Å; W856-L860 HydrophobicContact CZ3-CD2 3.55Å; W856-L860 VanDerWaalsContact O-CB 3.22Å; W856-L860 WeakPolarHBondContact O-CB 3.43Å; W856-L860 PolarHBondContact O-N 3.23Å; L857-L860 PolarHBondContact O-N 3.45Å; L860-S862 VanDerWaalsContact C-N 3.33Å; L860-S862 PolarHBondContact O-N 3.42Å; L860-I863 PolarHBondContact O-N 3.01Å; L860-V864 HydrophobicContact CD1-CG2 4.18Å; L860-V864 HydrophobicContact CG-CG2 4.4Å; L860-V864 WeakPolarHBondContact O-CG2 3.5Å; L860-V864 PolarHBondContact O-N 3.33Å |
| 861 | M | 74.3 | Confident | 72 | Confident | 84 Ų | 84 | 65 Ų | 65 | 41% | 0.414 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.8 | -73.8 | -70.9 | -76.9 | 0 | 0 | 110.9 | L857 N859 A865 | L857-M861 HydrophobicContact CD1-CG 4.03Å; L857-M861 HydrophobicContact CG-CG 4.27Å; L857-M861 WeakPolarHBondContact O-CB 3.19Å; L857-M861 WeakPolarHBondContact O-CG 3.31Å; L857-M861 PolarHBondContact O-N 3.37Å; N859-M861 PolarHBondContact O-N 2.96Å; M861-A865 WeakPolarHBondContact O-CB 3.39Å; M861-A865 PolarHBondContact O-N 2.86Å |
| 862 | S | 77.9 | Confident | 74.4 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | M858 N859 L860 C866 I1080 | M858-S862 VanDerWaalsContact O-CB 3.32Å; M858-S862 WeakPolarHBondContact O-CB 3.1Å; M858-S862 PolarHBondContact O-N 3.16Å; M858-S862 PolarHBondContact O-OG 3.34Å; N859-S862 WeakPolarHBondContact O-CB 3.27Å; N859-S862 PolarHBondContact O-N 2.67Å; L860-S862 VanDerWaalsContact C-N 3.33Å; L860-S862 PolarHBondContact O-N 3.42Å; S862-C866 WeakPolarHBondContact O-CB 3.23Å; S862-C866 PolarHBondContact O-N 3.22Å; S862-C866 PolarHBondContact O-SG 3.07Å; S862-I1080 WeakPolarHBondContact OG-CD1 3.35Å |
| 863 | I | 81.7 | Confident | 76.7 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 45% | 0.446 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 179.5 | -68.2 | 164.1 | 0 | 0 | 0 | 111.3 | N859 L860 C866 A867 | N859-I863 VanDerWaalsContact O-CG1 3.26Å; N859-I863 WeakPolarHBondContact O-CG1 3.25Å; N859-I863 PolarHBondContact O-N 3.19Å; L860-I863 PolarHBondContact O-N 3.01Å; I863-C866 PolarHBondContact O-N 3.44Å; I863-A867 VanDerWaalsContact O-CB 3.31Å; I863-A867 WeakPolarHBondContact O-CB 3.47Å; I863-A867 PolarHBondContact O-N 2.89Å |
| 864 | V | 84.3 | Confident | 78.7 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | -179.5 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L860 A867 L868 | L860-V864 HydrophobicContact CD1-CG2 4.18Å; L860-V864 HydrophobicContact CG-CG2 4.4Å; L860-V864 WeakPolarHBondContact O-CG2 3.5Å; L860-V864 PolarHBondContact O-N 3.33Å; V864-A867 PolarHBondContact O-N 3.3Å; V864-L868 WeakPolarHBondContact O-CB 3.35Å; V864-L868 PolarHBondContact O-N 3.03Å |
| 865 | A | 82.9 | Confident | 80.5 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 13% | 0.132 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.2 | -42.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M861 S869 I1080 A1084 | M861-A865 WeakPolarHBondContact O-CB 3.39Å; M861-A865 PolarHBondContact O-N 2.86Å; A865-S869 WeakPolarHBondContact O-CB 3.23Å; A865-S869 PolarHBondContact O-N 3.42Å; A865-I1080 HydrophobicContact CB-CG2 3.77Å; A865-A1084 HydrophobicContact CB-CB 3.54Å; A865-A1084 WeakPolarHBondContact O-CB 3.44Å |
| 866 | C | 83.8 | Confident | 82.1 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 172.2 | -75.3 | 0 | 0 | 0 | 0 | 112.3 | S862 I863 S869 C870 V909 | S862-C866 WeakPolarHBondContact O-CB 3.23Å; S862-C866 PolarHBondContact O-N 3.22Å; S862-C866 PolarHBondContact O-SG 3.07Å; I863-C866 PolarHBondContact O-N 3.44Å; C866-S869 PolarHBondContact O-N 2.99Å; C866-C870 WeakPolarHBondContact O-CB 3.01Å; C866-C870 PolarHBondContact O-N 3.01Å; C866-C870 PolarHBondContact O-SG 2.7Å; C866-V909 HydrophobicContact CB-CG2 4.08Å |
| 867 | A | 87.7 | Confident | 83.4 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 44% | 0.438 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I863 V864 S869 C870 V871 | I863-A867 VanDerWaalsContact O-CB 3.31Å; I863-A867 WeakPolarHBondContact O-CB 3.47Å; I863-A867 PolarHBondContact O-N 2.89Å; V864-A867 PolarHBondContact O-N 3.3Å; A867-S869 PolarHBondContact O-N 2.03Å; A867-C870 PolarHBondContact O-N 3.41Å; A867-V871 WeakPolarHBondContact O-CG2 3.04Å; A867-V871 PolarHBondContact O-N 3.31Å |
| 868 | L | 88.1 | Confident | 84.3 | Confident | 98 Ų | 98 | 53 Ų | 53 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.6 | -176.3 | 61 | 0 | 0 | 0 | 111.7 | V864 V871 S872 I1088 | V864-L868 WeakPolarHBondContact O-CB 3.35Å; V864-L868 PolarHBondContact O-N 3.03Å; L868-V871 PolarHBondContact O-N 2.74Å; L868-S872 WeakPolarHBondContact O-CB 3.41Å; L868-S872 PolarHBondContact O-N 2.8Å; L868-S872 PolarHBondContact O-OG 3.31Å; L868-I1088 HydrophobicContact CD2-CD1 3.72Å; L868-I1088 HydrophobicContact CG-CD1 3.99Å; L868-I1088 HydrophobicContact CG-CG1 4.47Å |
| 869 | S | 90.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 174.9 | -165.3 | 0 | 0 | 0 | 0 | 111.3 | A865 C866 A867 V871 S872 L873 Q905 | A865-S869 WeakPolarHBondContact O-CB 3.23Å; A865-S869 PolarHBondContact O-N 3.42Å; C866-S869 PolarHBondContact O-N 2.99Å; A867-S869 PolarHBondContact O-N 2.03Å; S869-V871 PolarHBondContact O-N 3.39Å; S869-S872 PolarHBondContact O-N 3.45Å; S869-S872 VanDerWaalsContact O-N 3.16Å; S869-S872 PolarHBondContact O-OG 2.87Å; S869-L873 WeakPolarHBondContact O-CG 3.47Å; S869-L873 PolarHBondContact O-N 2.88Å; S869-Q905 PolarHBondContact OG-NE2 3.02Å; S869-Q905 PolarHBondContact OG-OE1 2.83Å |
| 870 | C | 91.2 | Very high | 85.8 | Confident | 21 Ų | 21 | 47 Ų | 47 | 14% | 0.142 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 177.6 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | C866 A867 S872 L873 M874 L902 | C866-C870 WeakPolarHBondContact O-CB 3.01Å; C866-C870 PolarHBondContact O-N 3.01Å; C866-C870 PolarHBondContact O-SG 2.7Å; A867-C870 PolarHBondContact O-N 3.41Å; C870-S872 VanDerWaalsContact C-N 3.34Å; C870-S872 PolarHBondContact O-N 3.33Å; C870-L873 PolarHBondContact O-N 3.27Å; C870-M874 WeakPolarHBondContact O-CB 3.04Å; C870-M874 VanDerWaalsContact O-CG 3.25Å; C870-M874 WeakPolarHBondContact O-CG 3.07Å; C870-M874 PolarHBondContact O-N 2.9Å; C870-L902 HydrophobicContact CB-CD1 4.05Å |
| 871 | V | 92.1 | Very high | 85.9 | Confident | 85 Ų | 85 | 46.2 Ų | 46.2 | 52% | 0.515 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | A867 L868 S869 L873 M874 L875 | A867-V871 WeakPolarHBondContact O-CG2 3.04Å; A867-V871 PolarHBondContact O-N 3.31Å; L868-V871 PolarHBondContact O-N 2.74Å; S869-V871 PolarHBondContact O-N 3.39Å; V871-L873 PolarHBondContact O-N 2.92Å; V871-M874 PolarHBondContact O-N 3.11Å; V871-L875 HydrophobicContact CG1-CD1 4.07Å; V871-L875 HydrophobicContact CG1-CG 4.47Å; V871-L875 VanDerWaalsContact O-CG 3.31Å; V871-L875 WeakPolarHBondContact O-CG 3.39Å; V871-L875 PolarHBondContact O-N 2.91Å |
| 872 | S | 90.5 | Very high | 86 | Confident | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -38 | 179.7 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | L868 S869 C870 S876 G1087 I1088 | L868-S872 WeakPolarHBondContact O-CB 3.41Å; L868-S872 PolarHBondContact O-N 2.8Å; L868-S872 PolarHBondContact O-OG 3.31Å; S869-S872 PolarHBondContact O-N 3.45Å; S869-S872 VanDerWaalsContact O-N 3.16Å; S869-S872 PolarHBondContact O-OG 2.87Å; C870-S872 VanDerWaalsContact C-N 3.34Å; C870-S872 PolarHBondContact O-N 3.33Å; S872-S876 WeakPolarHBondContact O-CB 3.49Å; S872-S876 PolarHBondContact O-N 2.88Å; S872-S876 PolarHBondContact O-OG 3.08Å; S872-G1087 VanDerWaalsContact OG-CA 3.26Å; S872-G1087 WeakPolarHBondContact OG-CA 3.28Å; S872-G1087 PolarHBondContact OG-O 2.96Å; S872-I1088 PolarHBondContact OG-N 3.41Å |
| 873 | L | 92.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 175.2 | -70.8 | 171.2 | 0 | 0 | 0 | 111.4 | S869 C870 V871 S876 L877 C898 L901 L902 I1090 | S869-L873 WeakPolarHBondContact O-CG 3.47Å; S869-L873 PolarHBondContact O-N 2.88Å; C870-L873 PolarHBondContact O-N 3.27Å; V871-L873 PolarHBondContact O-N 2.92Å; L873-S876 WeakPolarHBondContact O-CB 3.3Å; L873-S876 PolarHBondContact O-N 3.1Å; L873-L877 WeakPolarHBondContact O-CG 3.28Å; L873-L877 PolarHBondContact O-N 3.43Å; L873-C898 HydrophobicContact CD2-CB 4.13Å; L873-L901 HydrophobicContact CD1-CB 4.03Å; L873-L902 HydrophobicContact CB-CB 4.38Å; L873-L902 HydrophobicContact CB-CD1 4.43Å; L873-L902 HydrophobicContact CD1-CB 4.17Å; L873-I1090 HydrophobicContact CD2-CD1 4.09Å |
| 874 | M | 91.2 | Very high | 84.9 | Confident | 93 Ų | 93 | 51.3 Ų | 51.3 | 46% | 0.458 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 175.4 | -75.9 | -65.6 | -165.9 | 0 | 0 | 111.8 | C870 V871 S876 L877 V878 L902 | C870-M874 WeakPolarHBondContact O-CB 3.04Å; C870-M874 VanDerWaalsContact O-CG 3.25Å; C870-M874 WeakPolarHBondContact O-CG 3.07Å; C870-M874 PolarHBondContact O-N 2.9Å; V871-M874 PolarHBondContact O-N 3.11Å; M874-S876 VanDerWaalsContact C-N 3.28Å; M874-S876 PolarHBondContact O-N 2.89Å; M874-L877 PolarHBondContact O-N 3.01Å; M874-V878 WeakPolarHBondContact O-CG2 3.43Å; M874-V878 PolarHBondContact O-N 3.09Å; M874-L902 HydrophobicContact CE-CD1 4.05Å; M874-L902 HydrophobicContact CE-CD2 3.41Å; M874-L902 VanDerWaalsContact CE-CD2 3.41Å; M874-L902 HydrophobicContact CE-CG 4.17Å; M874-L902 HydrophobicContact CG-CD1 4.27Å; M874-L902 HydrophobicContact CG-CD2 4.13Å; M874-L902 HydrophobicContact SD-CD2 3.44Å; M874-L902 WeakPolarHBondContact SD-CD2 3.44Å |
| 875 | L | 89.2 | Confident | 83.8 | Confident | 94 Ų | 94 | 48.8 Ų | 48.8 | 49% | 0.492 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 175.6 | -70.2 | 174.6 | 0 | 0 | 0 | 111.7 | V871 A879 L1091 | V871-L875 HydrophobicContact CG1-CD1 4.07Å; V871-L875 HydrophobicContact CG1-CG 4.47Å; V871-L875 VanDerWaalsContact O-CG 3.31Å; V871-L875 WeakPolarHBondContact O-CG 3.39Å; V871-L875 PolarHBondContact O-N 2.91Å; L875-A879 VanDerWaalsContact O-CB 3.32Å; L875-A879 WeakPolarHBondContact O-CB 3.49Å; L875-A879 PolarHBondContact O-N 3.21Å; L875-L1091 HydrophobicContact CB-CD1 4.04Å; L875-L1091 HydrophobicContact CB-CD2 4.49Å; L875-L1091 HydrophobicContact CD1-CD2 4.35Å |
| 876 | S | 88.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 112 | S872 L873 M874 A879 F880 L1091 | S872-S876 WeakPolarHBondContact O-CB 3.49Å; S872-S876 PolarHBondContact O-N 2.88Å; S872-S876 PolarHBondContact O-OG 3.08Å; L873-S876 WeakPolarHBondContact O-CB 3.3Å; L873-S876 PolarHBondContact O-N 3.1Å; M874-S876 VanDerWaalsContact C-N 3.28Å; M874-S876 PolarHBondContact O-N 2.89Å; S876-A879 PolarHBondContact O-N 3.18Å; S876-F880 WeakPolarHBondContact O-CB 3.42Å; S876-F880 WeakPolarHBondContact O-CD2 3.03Å; S876-F880 VanDerWaalsContact O-CG 3.3Å; S876-F880 WeakPolarHBondContact O-CG 3.45Å; S876-F880 PolarHBondContact O-N 3.41Å; S876-L1091 WeakPolarHBondContact OG-CA 3.43Å; S876-L1091 WeakPolarHBondContact OG-CB 3.33Å; S876-L1091 PolarHBondContact OG-N 3.01Å |
| 877 | L | 88.6 | Confident | 82.1 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 175.9 | -76.4 | 171.1 | 0 | 0 | 0 | 111.8 | L873 M874 A879 F880 S881 V895 C898 L902 | L873-L877 WeakPolarHBondContact O-CG 3.28Å; L873-L877 PolarHBondContact O-N 3.43Å; M874-L877 PolarHBondContact O-N 3.01Å; L877-A879 VanDerWaalsContact C-N 3.34Å; L877-A879 PolarHBondContact O-N 3.06Å; L877-F880 PolarHBondContact O-N 2.66Å; L877-S881 WeakPolarHBondContact O-CB 3.31Å; L877-S881 PolarHBondContact O-N 3.27Å; L877-S881 PolarHBondContact O-OG 3.18Å; L877-V895 HydrophobicContact CD2-CG1 4.12Å; L877-C898 HydrophobicContact CD1-CB 4.36Å; L877-C898 HydrophobicContact CD2-CB 3.65Å; L877-C898 HydrophobicContact CG-CB 3.78Å; L877-L902 HydrophobicContact CD1-CD2 3.59Å |
| 878 | V | 86.2 | Confident | 81.3 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | M874 S881 C882 | M874-V878 WeakPolarHBondContact O-CG2 3.43Å; M874-V878 PolarHBondContact O-N 3.09Å; V878-S881 PolarHBondContact O-N 2.95Å; V878-C882 WeakPolarHBondContact O-CB 3.37Å; V878-C882 PolarHBondContact O-N 3.32Å; V878-C882 PolarHBondContact O-SG 3.47Å |
| 879 | A | 82 | Confident | 80.4 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L875 S876 L877 S881 I883 F886 V1095 | L875-A879 VanDerWaalsContact O-CB 3.32Å; L875-A879 WeakPolarHBondContact O-CB 3.49Å; L875-A879 PolarHBondContact O-N 3.21Å; S876-A879 PolarHBondContact O-N 3.18Å; L877-A879 VanDerWaalsContact C-N 3.34Å; L877-A879 PolarHBondContact O-N 3.06Å; A879-S881 VanDerWaalsContact C-N 3.34Å; A879-S881 PolarHBondContact O-N 3.26Å; A879-I883 HydrophobicContact CB-CD1 4.38Å; A879-I883 WeakPolarHBondContact O-CB 3.44Å; A879-I883 PolarHBondContact O-N 3.05Å; A879-I883 VanDerWaalsContact O-N 3.13Å; A879-F886 HydrophobicContact CB-CE2 4.42Å; A879-F886 VanDerWaalsContact O-CD2 3.28Å; A879-F886 WeakPolarHBondContact O-CD2 3.4Å; A879-V1095 HydrophobicContact CB-CB 4.46Å; A879-V1095 HydrophobicContact CB-CG1 3.53Å; A879-V1095 HydrophobicContact CB-CG2 4.03Å |
| 880 | F | 83.1 | Confident | 79.6 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.022 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 180 | -65.2 | -39.8 | 0 | 0 | 0 | 112.9 | S876 L877 F886 N891 H894 V895 I1090 H1094 V1095 | S876-F880 WeakPolarHBondContact O-CB 3.42Å; S876-F880 WeakPolarHBondContact O-CD2 3.03Å; S876-F880 VanDerWaalsContact O-CG 3.3Å; S876-F880 WeakPolarHBondContact O-CG 3.45Å; S876-F880 PolarHBondContact O-N 3.41Å; L877-F880 PolarHBondContact O-N 2.66Å; F880-F886 HydrophobicContact CD1-CB 3.96Å; F880-F886 HydrophobicContact CD1-CD1 4.05Å; F880-F886 HydrophobicContact CD1-CD2 4.48Å; F880-F886 AromaticContact CD1-CG 3.95Å; F880-F886 HydrophobicContact CD1-CG 3.95Å; F880-F886 HydrophobicContact CE1-CD1 4.18Å; F880-N891 HydrophobicContact CD1-CB 4.34Å; F880-H894 HydrophobicContact CD2-CB 4.4Å; F880-H894 HydrophobicContact CE2-CB 3.8Å; F880-H894 HydrophobicContact CZ-CB 4.14Å; F880-V895 HydrophobicContact CB-CG2 3.44Å; F880-V895 VanDerWaalsContact CB-CG2 3.44Å; F880-V895 HydrophobicContact CD2-CG2 4.01Å; F880-V895 HydrophobicContact CG-CG2 4.08Å; F880-I1090 HydrophobicContact CE2-CG2 4.07Å; F880-I1090 HydrophobicContact CZ-CG2 4.33Å; F880-H1094 HydrophobicContact CE1-CB 4.22Å; F880-H1094 HydrophobicContact CZ-CB 3.73Å; F880-V1095 HydrophobicContact CD1-CG2 4.26Å; F880-V1095 HydrophobicContact CE1-CG2 3.62Å; F880-V1095 HydrophobicContact CE2-CG2 4.34Å; F880-V1095 HydrophobicContact CZ-CG2 3.66Å |
| 881 | S | 78.3 | Confident | 79 | Confident | 64 Ų | 64 | 53.7 Ų | 53.7 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -77.1 | -50.6 | -179.4 | -54.1 | 0 | 0 | 0 | 0 | 112 | L877 V878 A879 W887 | L877-S881 WeakPolarHBondContact O-CB 3.31Å; L877-S881 PolarHBondContact O-N 3.27Å; L877-S881 PolarHBondContact O-OG 3.18Å; V878-S881 PolarHBondContact O-N 2.95Å; A879-S881 VanDerWaalsContact C-N 3.34Å; A879-S881 PolarHBondContact O-N 3.26Å; S881-W887 PolarHBondContact O-NE1 2.83Å |
| 882 | C | 76 | Confident | 78.6 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 67% | 0.669 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -80.1 | -31.5 | -170.7 | -60.5 | 0 | 0 | 0 | 0 | 113.3 | V878 R884 | V878-C882 WeakPolarHBondContact O-CB 3.37Å; V878-C882 PolarHBondContact O-N 3.32Å; V878-C882 PolarHBondContact O-SG 3.47Å; C882-R884 PolarHBondContact O-N 3.48Å |
| 883 | I | 70.9 | Confident | 78.3 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | trans | -96 | 102.4 | -174.3 | -61.6 | 160 | 0 | 0 | 0 | 108.8 | A879 A885 F886 K1104 L1105 | A879-I883 HydrophobicContact CB-CD1 4.38Å; A879-I883 WeakPolarHBondContact O-CB 3.44Å; A879-I883 PolarHBondContact O-N 3.05Å; A879-I883 VanDerWaalsContact O-N 3.13Å; I883-A885 HydrophobicContact CG2-CB 3.99Å; I883-A885 PolarHBondContact O-N 3.23Å; I883-F886 HydrophobicContact CB-CD2 3.55Å; I883-F886 HydrophobicContact CB-CE2 3.72Å; I883-F886 HydrophobicContact CD1-CD2 4.4Å; I883-F886 HydrophobicContact CD1-CE2 3.75Å; I883-F886 HydrophobicContact CG1-CE2 4.36Å; I883-F886 HydrophobicContact CG2-CD2 3.58Å; I883-F886 HydrophobicContact CG2-CE2 3.6Å; I883-F886 PolarHBondContact O-N 3.14Å; I883-K1104 HydrophobicContact CG2-CB 4.2Å; I883-K1104 HydrophobicContact CG2-CD 4.2Å; I883-L1105 HydrophobicContact CD1-CD1 4.28Å; I883-L1105 HydrophobicContact CD1-CD2 4.08Å; I883-L1105 HydrophobicContact CD1-CG 3.78Å | ||
| 884 | R | 65.8 | Low | 78 | Confident | 186 Ų | 186 | 51.9 Ų | 51.9 | 70% | 0.702 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -51.2 | -22.4 | 178.5 | -170.1 | 177 | 172.6 | 99.3 | -6.3 | 114.8 | C882 F886 W887 | C882-R884 PolarHBondContact O-N 3.48Å; R884-F886 PolarHBondContact O-N 3.45Å; R884-W887 HydrophobicContact CG-CG 4.46Å; R884-W887 PolarHBondContact O-N 3.08Å |
| 885 | A | 62 | Low | 77.9 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 26% | 0.256 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -61.7 | -22.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I883 K1104 | I883-A885 HydrophobicContact CG2-CB 3.99Å; I883-A885 PolarHBondContact O-N 3.23Å; A885-K1104 HydrophobicContact CB-CD 3.51Å; A885-K1104 HydrophobicContact CB-CG 4.27Å |
| 886 | F | 62.6 | Low | 78 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -92.9 | 5.2 | 178.7 | -60.8 | -73.2 | 0 | 0 | 0 | 112.9 | A879 F880 I883 R884 S888 N891 V1095 N1098 | A879-F886 HydrophobicContact CB-CE2 4.42Å; A879-F886 VanDerWaalsContact O-CD2 3.28Å; A879-F886 WeakPolarHBondContact O-CD2 3.4Å; F880-F886 HydrophobicContact CD1-CB 3.96Å; F880-F886 HydrophobicContact CD1-CD1 4.05Å; F880-F886 HydrophobicContact CD1-CD2 4.48Å; F880-F886 AromaticContact CD1-CG 3.95Å; F880-F886 HydrophobicContact CD1-CG 3.95Å; F880-F886 HydrophobicContact CE1-CD1 4.18Å; I883-F886 HydrophobicContact CB-CD2 3.55Å; I883-F886 HydrophobicContact CB-CE2 3.72Å; I883-F886 HydrophobicContact CD1-CD2 4.4Å; I883-F886 HydrophobicContact CD1-CE2 3.75Å; I883-F886 HydrophobicContact CG1-CE2 4.36Å; I883-F886 HydrophobicContact CG2-CD2 3.58Å; I883-F886 HydrophobicContact CG2-CE2 3.6Å; I883-F886 PolarHBondContact O-N 3.14Å; R884-F886 PolarHBondContact O-N 3.45Å; F886-S888 VanDerWaalsContact C-N 3.26Å; F886-S888 PolarHBondContact O-N 3.22Å; F886-N891 VanDerWaalsContact C-ND2 3.33Å; F886-N891 WeakPolarHBondContact CA-ND2 3.3Å; F886-N891 VanDerWaalsContact CB-ND2 3.28Å; F886-N891 WeakPolarHBondContact CB-ND2 3.27Å; F886-N891 WeakPolarHBondContact O-CB 3.48Å; F886-N891 VanDerWaalsContact O-CG 3.31Å; F886-N891 PolarHBondContact O-ND2 3.42Å; F886-V1095 HydrophobicContact CZ-CG1 4.03Å; F886-N1098 WeakPolarHBondContact CD1-ND2 3.5Å; F886-N1098 HydrophobicContact CE1-CB 4.13Å; F886-N1098 WeakPolarHBondContact CE1-ND2 3.19Å |
| 887 | W | 68.5 | Low | 78 | Confident | 176 Ų | 176 | 45.9 Ų | 45.9 | 67% | 0.667 | 24% | 0.242 | S | C | * | . | trans | -76.2 | 84.6 | 176.5 | -69.9 | 28.9 | 0 | 0 | 0 | 109.1 | S881 R884 | S881-W887 PolarHBondContact O-NE1 2.83Å; R884-W887 HydrophobicContact CG-CG 4.46Å; R884-W887 PolarHBondContact O-N 3.08Å | ||
| 888 | S | 69.1 | Low | 78.1 | Confident | 57 Ų | 57 | 44.7 Ų | 44.7 | 40% | 0.399 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -135.2 | 149.1 | 179.1 | 174.8 | 0 | 0 | 0 | 0 | 108.2 | F886 R890 N891 T892 | F886-S888 VanDerWaalsContact C-N 3.26Å; F886-S888 PolarHBondContact O-N 3.22Å; S888-R890 PolarHBondContact O-N 2.78Å; S888-R890 VanDerWaalsContact O-N 3.14Å; S888-N891 PolarHBondContact O-N 2.83Å; S888-T892 PolarHBondContact O-N 2.87Å; S888-T892 VanDerWaalsContact O-N 3.08Å; S888-T892 PolarHBondContact O-OG1 2.89Å |
| 889 | T | 70.4 | Confident | 78.4 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -46.9 | -43.3 | 176.1 | -49 | 0 | 0 | 0 | 0 | 112 | N891 T892 I893 K961 | T889-N891 PolarHBondContact O-N 2.81Å; T889-T892 VanDerWaalsContact O-CB 3.25Å; T889-T892 WeakPolarHBondContact O-CB 3.21Å; T889-T892 PolarHBondContact O-N 3.28Å; T889-I893 PolarHBondContact O-N 2.93Å; T889-K961 HydrophobicContact CG2-CD 4.36Å; T889-K961 HydrophobicContact CG2-CG 3.94Å; T889-K961 WeakPolarHBondContact OG1-CE 3.24Å; T889-K961 PolarHBondContact OG1-NZ 3.29Å |
| 890 | R | 73.9 | Confident | 79 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 20% | 0.2 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | 177.6 | -179.6 | 177.8 | 62.1 | 178.5 | 1.4 | 113.4 | S888 T892 I893 H894 | S888-R890 PolarHBondContact O-N 2.78Å; S888-R890 VanDerWaalsContact O-N 3.14Å; R890-T892 PolarHBondContact O-N 2.94Å; R890-I893 VanDerWaalsContact O-CB 3.31Å; R890-I893 WeakPolarHBondContact O-CB 3.48Å; R890-I893 PolarHBondContact O-N 2.01Å; R890-I893 VanDerWaalsContact O-N 3.1Å; R890-H894 WeakPolarHBondContact CG-NE2 3.36Å; R890-H894 PolarHBondContact O-CD2 2.04Å; R890-H894 VanDerWaalsContact O-CD2 3.27Å; R890-H894 PolarHBondContact O-N 2.87Å; R890-H894 VanDerWaalsContact O-N 3.12Å |
| 891 | N | 78.4 | Confident | 79.3 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.5 | -19.7 | 179.4 | -64.3 | -11.7 | 0 | 0 | 0 | 111.6 | F880 F886 S888 T889 I893 H894 V895 | F880-N891 HydrophobicContact CD1-CB 4.34Å; F886-N891 VanDerWaalsContact C-ND2 3.33Å; F886-N891 WeakPolarHBondContact CA-ND2 3.3Å; F886-N891 VanDerWaalsContact CB-ND2 3.28Å; F886-N891 WeakPolarHBondContact CB-ND2 3.27Å; F886-N891 WeakPolarHBondContact O-CB 3.48Å; F886-N891 VanDerWaalsContact O-CG 3.31Å; F886-N891 PolarHBondContact O-ND2 3.42Å; S888-N891 PolarHBondContact O-N 2.83Å; T889-N891 PolarHBondContact O-N 2.81Å; N891-I893 VanDerWaalsContact C-N 3.33Å; N891-H894 PolarHBondContact O-N 2.9Å; N891-V895 WeakPolarHBondContact O-CB 3.22Å; N891-V895 WeakPolarHBondContact O-CG2 3.5Å; N891-V895 PolarHBondContact O-N 3.32Å |
| 892 | T | 83 | Confident | 80 | Confident | 51 Ų | 51 | 41.4 Ų | 41.4 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -41.4 | 167.5 | -49.8 | 0 | 0 | 0 | 0 | 110.6 | S888 T889 R890 V895 N896 | S888-T892 PolarHBondContact O-N 2.87Å; S888-T892 VanDerWaalsContact O-N 3.08Å; S888-T892 PolarHBondContact O-OG1 2.89Å; T889-T892 VanDerWaalsContact O-CB 3.25Å; T889-T892 WeakPolarHBondContact O-CB 3.21Å; T889-T892 PolarHBondContact O-N 3.28Å; R890-T892 PolarHBondContact O-N 2.94Å; T892-V895 PolarHBondContact O-N 2.94Å; T892-N896 PolarHBondContact O-N 2.75Å; T892-N896 VanDerWaalsContact O-N 3.11Å; T892-N896 PolarHBondContact O-ND2 2.97Å |
| 893 | I | 84.8 | Confident | 80.8 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -49.4 | 173.4 | -61.1 | 170 | 0 | 0 | 0 | 110 | T889 R890 N891 V895 N896 L897 W938 E942 Q945 L964 | T889-I893 PolarHBondContact O-N 2.93Å; R890-I893 VanDerWaalsContact O-CB 3.31Å; R890-I893 WeakPolarHBondContact O-CB 3.48Å; R890-I893 PolarHBondContact O-N 2.01Å; R890-I893 VanDerWaalsContact O-N 3.1Å; N891-I893 VanDerWaalsContact C-N 3.33Å; I893-V895 PolarHBondContact O-N 3.32Å; I893-N896 PolarHBondContact O-N 3.4Å; I893-L897 WeakPolarHBondContact O-CB 3.32Å; I893-L897 PolarHBondContact O-N 3.31Å; I893-W938 HydrophobicContact CB-CE3 4.32Å; I893-W938 HydrophobicContact CB-CZ3 4.49Å; I893-W938 HydrophobicContact CG1-CE3 4.28Å; I893-W938 HydrophobicContact CG1-CZ3 4.08Å; I893-W938 HydrophobicContact CG2-CE3 4.08Å; I893-W938 WeakPolarHBondContact CG2-O 3.41Å; I893-E942 HydrophobicContact CG2-CB 3.98Å; I893-Q945 HydrophobicContact CD1-CB 3.83Å; I893-Q945 HydrophobicContact CD1-CG 4.11Å; I893-L964 HydrophobicContact CD1-CD2 4.04Å; I893-L964 HydrophobicContact CG1-CD2 4.04Å |
| 894 | H | 85.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -35.4 | 179.6 | -62.9 | -54.3 | 0 | 0 | 0 | 113.6 | F880 R890 N891 L897 C898 E942 H1094 | F880-H894 HydrophobicContact CD2-CB 4.4Å; F880-H894 HydrophobicContact CE2-CB 3.8Å; F880-H894 HydrophobicContact CZ-CB 4.14Å; R890-H894 WeakPolarHBondContact CG-NE2 3.36Å; R890-H894 PolarHBondContact O-CD2 2.04Å; R890-H894 VanDerWaalsContact O-CD2 3.27Å; R890-H894 PolarHBondContact O-N 2.87Å; R890-H894 VanDerWaalsContact O-N 3.12Å; N891-H894 PolarHBondContact O-N 2.9Å; H894-L897 PolarHBondContact O-N 2.86Å; H894-C898 WeakPolarHBondContact O-CB 3.49Å; H894-C898 PolarHBondContact O-N 3.42Å; H894-C898 PolarHBondContact O-SG 2.95Å; H894-E942 IonicContact CE1-OE1 2.89Å; H894-E942 PolarHBondContact CE1-OE1 2.85Å; H894-E942 IonicContact CE1-OE2 3.37Å; H894-E942 IonicContact ND1-OE2 3.81Å; H894-H1094 AromaticContact CD2-CD2 3.68Å; H894-H1094 AromaticContact CE1-CD2 3.5Å; H894-H1094 PolarHBondContact CE1-CD2 2.97Å; H894-H1094 VanDerWaalsContact CE1-CD2 3.5Å; H894-H1094 AromaticContact CE1-CE1 3.86Å; H894-H1094 AromaticContact CE1-NE2 3.33Å; H894-H1094 PolarHBondContact CE1-NE2 2.85Å; H894-H1094 VanDerWaalsContact CE1-NE2 3.33Å; H894-H1094 AromaticContact NE2-CD2 3.06Å; H894-H1094 PolarHBondContact NE2-CD2 3.07Å; H894-H1094 AromaticContact NE2-CG 3.94Å; H894-H1094 AromaticContact NE2-NE2 3.3Å; H894-H1094 PolarHBondContact NE2-NE2 3.31Å |
| 895 | V | 88.4 | Confident | 82.8 | Confident | 37 Ų | 37 | 29.8 Ų | 29.8 | 22% | 0.224 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 175 | 164.8 | 0 | 0 | 0 | 0 | 110.3 | L877 F880 N891 T892 I893 C898 L899 | L877-V895 HydrophobicContact CD2-CG1 4.12Å; F880-V895 HydrophobicContact CB-CG2 3.44Å; F880-V895 VanDerWaalsContact CB-CG2 3.44Å; F880-V895 HydrophobicContact CD2-CG2 4.01Å; F880-V895 HydrophobicContact CG-CG2 4.08Å; N891-V895 WeakPolarHBondContact O-CB 3.22Å; N891-V895 WeakPolarHBondContact O-CG2 3.5Å; N891-V895 PolarHBondContact O-N 3.32Å; T892-V895 PolarHBondContact O-N 2.94Å; I893-V895 PolarHBondContact O-N 3.32Å; V895-C898 PolarHBondContact O-N 3.18Å; V895-L899 WeakPolarHBondContact O-CB 3.23Å; V895-L899 PolarHBondContact O-N 2.98Å |
| 896 | N | 90.9 | Very high | 84.1 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 12% | 0.118 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 178.9 | -72.2 | -69.2 | 0 | 0 | 0 | 111.8 | T892 I893 L899 C900 W938 H965 Y969 | T892-N896 PolarHBondContact O-N 2.75Å; T892-N896 VanDerWaalsContact O-N 3.11Å; T892-N896 PolarHBondContact O-ND2 2.97Å; I893-N896 PolarHBondContact O-N 3.4Å; N896-L899 PolarHBondContact O-N 3.18Å; N896-C900 PolarHBondContact O-N 3.48Å; N896-C900 PolarHBondContact O-SG 3.28Å; N896-W938 HydrophobicContact CB-CD2 3.66Å; N896-W938 HydrophobicContact CB-CE3 4.22Å; N896-W938 HydrophobicContact CB-CG 4.07Å; N896-W938 HydrophobicContact CB-CH2 4.21Å; N896-W938 HydrophobicContact CB-CZ2 3.66Å; N896-W938 HydrophobicContact CB-CZ3 4.47Å; N896-H965 PolarHBondContact ND2-NE2 2.82Å; N896-Y969 PolarHBondContact OD1-OH 2.9Å; N896-Y969 VanDerWaalsContact OD1-OH 3.12Å |
| 897 | L | 89.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -46.9 | 173.7 | -177.9 | 64 | 0 | 0 | 0 | 111.5 | I893 H894 L899 C900 L901 A935 W938 L1056 I1090 | I893-L897 WeakPolarHBondContact O-CB 3.32Å; I893-L897 PolarHBondContact O-N 3.31Å; H894-L897 PolarHBondContact O-N 2.86Å; L897-L899 VanDerWaalsContact C-N 3.33Å; L897-L899 PolarHBondContact O-N 3.42Å; L897-C900 PolarHBondContact O-N 3.07Å; L897-L901 HydrophobicContact CD1-CD1 4.18Å; L897-L901 HydrophobicContact CD1-CG 4.28Å; L897-L901 HydrophobicContact CG-CD1 4.07Å; L897-L901 WeakPolarHBondContact O-CB 3.14Å; L897-L901 WeakPolarHBondContact O-CG 3.36Å; L897-L901 PolarHBondContact O-N 3.34Å; L897-A935 HydrophobicContact CD1-CB 4.28Å; L897-A935 WeakPolarHBondContact CD1-O 3.5Å; L897-W938 HydrophobicContact CB-CB 4.39Å; L897-W938 HydrophobicContact CD1-CB 4.36Å; L897-L1056 HydrophobicContact CD1-CD2 4.45Å; L897-I1090 HydrophobicContact CD2-CD1 4.33Å |
| 898 | C | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 176.8 | -70.1 | 0 | 0 | 0 | 0 | 111.7 | L873 L877 H894 V895 L901 L902 | L873-C898 HydrophobicContact CD2-CB 4.13Å; L877-C898 HydrophobicContact CD1-CB 4.36Å; L877-C898 HydrophobicContact CD2-CB 3.65Å; L877-C898 HydrophobicContact CG-CB 3.78Å; H894-C898 WeakPolarHBondContact O-CB 3.49Å; H894-C898 PolarHBondContact O-N 3.42Å; H894-C898 PolarHBondContact O-SG 2.95Å; V895-C898 PolarHBondContact O-N 3.18Å; C898-L901 PolarHBondContact O-N 3.36Å; C898-L902 WeakPolarHBondContact O-CB 3.45Å; C898-L902 PolarHBondContact O-N 3.04Å |
| 899 | L | 92.4 | Very high | 86.9 | Confident | 80 Ų | 80 | 29.8 Ų | 29.8 | 42% | 0.419 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.4 | -45 | 178.5 | -175.2 | 65.1 | 0 | 0 | 0 | 111.1 | V895 N896 L897 T903 | V895-L899 WeakPolarHBondContact O-CB 3.23Å; V895-L899 PolarHBondContact O-N 2.98Å; N896-L899 PolarHBondContact O-N 3.18Å; L897-L899 VanDerWaalsContact C-N 3.33Å; L897-L899 PolarHBondContact O-N 3.42Å; L899-T903 VanDerWaalsContact O-CB 3.26Å; L899-T903 WeakPolarHBondContact O-CB 3.29Å; L899-T903 PolarHBondContact O-N 3.38Å; L899-T903 PolarHBondContact O-OG1 3.19Å |
| 900 | C | 93.5 | Very high | 87.6 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -48.6 | 176.3 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | N896 L897 L902 T903 G904 I931 A935 | N896-C900 PolarHBondContact O-N 3.48Å; N896-C900 PolarHBondContact O-SG 3.28Å; L897-C900 PolarHBondContact O-N 3.07Å; C900-L902 PolarHBondContact O-N 3.48Å; C900-T903 PolarHBondContact O-N 3.41Å; C900-G904 PolarHBondContact O-N 2.79Å; C900-I931 HydrophobicContact CB-CG2 4.24Å; C900-I931 WeakPolarHBondContact O-CG2 3.39Å; C900-A935 HydrophobicContact CB-CB 3.8Å |
| 901 | L | 90.4 | Very high | 88 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 179.9 | -70.6 | 176.4 | 0 | 0 | 0 | 112.1 | L873 L897 C898 Q905 A935 I1090 | L873-L901 HydrophobicContact CD1-CB 4.03Å; L897-L901 HydrophobicContact CD1-CD1 4.18Å; L897-L901 HydrophobicContact CD1-CG 4.28Å; L897-L901 HydrophobicContact CG-CD1 4.07Å; L897-L901 WeakPolarHBondContact O-CB 3.14Å; L897-L901 WeakPolarHBondContact O-CG 3.36Å; L897-L901 PolarHBondContact O-N 3.34Å; C898-L901 PolarHBondContact O-N 3.36Å; L901-Q905 WeakPolarHBondContact O-CB 3.28Å; L901-Q905 VanDerWaalsContact O-CG 3.27Å; L901-Q905 WeakPolarHBondContact O-CG 3.21Å; L901-Q905 PolarHBondContact O-N 2.89Å; L901-A935 HydrophobicContact CD2-CB 4.15Å; L901-I1090 HydrophobicContact CD1-CD1 4.24Å |
| 902 | L | 92.8 | Very high | 88.2 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -49.8 | 178.5 | 176.3 | 65.9 | 0 | 0 | 0 | 111.4 | C870 L873 M874 L877 C898 C900 G904 Q905 L906 | C870-L902 HydrophobicContact CB-CD1 4.05Å; L873-L902 HydrophobicContact CB-CB 4.38Å; L873-L902 HydrophobicContact CB-CD1 4.43Å; L873-L902 HydrophobicContact CD1-CB 4.17Å; M874-L902 HydrophobicContact CE-CD1 4.05Å; M874-L902 HydrophobicContact CE-CD2 3.41Å; M874-L902 VanDerWaalsContact CE-CD2 3.41Å; M874-L902 HydrophobicContact CE-CG 4.17Å; M874-L902 HydrophobicContact CG-CD1 4.27Å; M874-L902 HydrophobicContact CG-CD2 4.13Å; M874-L902 HydrophobicContact SD-CD2 3.44Å; M874-L902 WeakPolarHBondContact SD-CD2 3.44Å; L877-L902 HydrophobicContact CD1-CD2 3.59Å; C898-L902 WeakPolarHBondContact O-CB 3.45Å; C898-L902 PolarHBondContact O-N 3.04Å; C900-L902 PolarHBondContact O-N 3.48Å; L902-G904 VanDerWaalsContact C-N 3.32Å; L902-G904 PolarHBondContact O-N 3.47Å; L902-Q905 PolarHBondContact O-N 2.93Å; L902-L906 HydrophobicContact CD1-CD1 4.04Å; L902-L906 HydrophobicContact CD1-CG 4.29Å; L902-L906 HydrophobicContact CG-CD1 4.06Å; L902-L906 WeakPolarHBondContact O-CB 3.41Å; L902-L906 VanDerWaalsContact O-CG 3.27Å; L902-L906 WeakPolarHBondContact O-CG 3.13Å; L902-L906 PolarHBondContact O-N 3.49Å |
| 903 | T | 92.7 | Very high | 88 | Confident | 58 Ų | 58 | 38.7 Ų | 38.7 | 36% | 0.356 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 179.9 | -49.9 | 0 | 0 | 0 | 0 | 110.5 | L899 C900 L906 L907 I931 | L899-T903 VanDerWaalsContact O-CB 3.26Å; L899-T903 WeakPolarHBondContact O-CB 3.29Å; L899-T903 PolarHBondContact O-N 3.38Å; L899-T903 PolarHBondContact O-OG1 3.19Å; C900-T903 PolarHBondContact O-N 3.41Å; T903-L906 PolarHBondContact O-N 2.85Å; T903-L907 VanDerWaalsContact O-CB 3.26Å; T903-L907 WeakPolarHBondContact O-CB 3.27Å; T903-L907 PolarHBondContact O-N 3.49Å; T903-I931 HydrophobicContact CG2-CD1 3.78Å |
| 904 | G | 90.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C900 L902 L907 F908 | C900-G904 PolarHBondContact O-N 2.79Å; L902-G904 VanDerWaalsContact C-N 3.32Å; L902-G904 PolarHBondContact O-N 3.47Å; G904-L907 PolarHBondContact O-N 3.17Å; G904-F908 VanDerWaalsContact O-CB 3.31Å; G904-F908 WeakPolarHBondContact O-CB 3.47Å; G904-F908 PolarHBondContact O-N 3.48Å |
| 905 | Q | 88.1 | Confident | 87.7 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 176.1 | -77 | -180 | 46.1 | 0 | 0 | 112.3 | S869 L901 L902 L907 F908 V909 | S869-Q905 PolarHBondContact OG-NE2 3.02Å; S869-Q905 PolarHBondContact OG-OE1 2.83Å; L901-Q905 WeakPolarHBondContact O-CB 3.28Å; L901-Q905 VanDerWaalsContact O-CG 3.27Å; L901-Q905 WeakPolarHBondContact O-CG 3.21Å; L901-Q905 PolarHBondContact O-N 2.89Å; L902-Q905 PolarHBondContact O-N 2.93Å; Q905-L907 VanDerWaalsContact C-N 3.33Å; Q905-L907 PolarHBondContact O-N 2.82Å; Q905-F908 PolarHBondContact O-N 2.78Å; Q905-V909 WeakPolarHBondContact O-CG2 3.17Å; Q905-V909 PolarHBondContact O-N 2.89Å |
| 906 | L | 89.9 | Confident | 87 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.1 | -69.7 | 171.3 | 0 | 0 | 0 | 111.1 | L902 T903 F908 V909 F910 | L902-L906 HydrophobicContact CD1-CD1 4.04Å; L902-L906 HydrophobicContact CD1-CG 4.29Å; L902-L906 HydrophobicContact CG-CD1 4.06Å; L902-L906 WeakPolarHBondContact O-CB 3.41Å; L902-L906 VanDerWaalsContact O-CG 3.27Å; L902-L906 WeakPolarHBondContact O-CG 3.13Å; L902-L906 PolarHBondContact O-N 3.49Å; T903-L906 PolarHBondContact O-N 2.85Å; L906-F908 VanDerWaalsContact C-N 3.33Å; L906-F908 PolarHBondContact O-N 3.27Å; L906-V909 PolarHBondContact O-N 2.83Å; L906-F910 HydrophobicContact CB-CD2 4.48Å; L906-F910 HydrophobicContact CD2-CD2 4.46Å; L906-F910 HydrophobicContact CD2-CE2 3.89Å; L906-F910 WeakPolarHBondContact O-CB 3.25Å; L906-F910 WeakPolarHBondContact O-CD2 3.34Å; L906-F910 PolarHBondContact O-N 2.8Å |
| 907 | L | 89.6 | Confident | 86.7 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 20% | 0.199 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 178.1 | -169.1 | 64 | 0 | 0 | 0 | 112 | T903 G904 Q905 G911 I924 L927 L928 I931 | T903-L907 VanDerWaalsContact O-CB 3.26Å; T903-L907 WeakPolarHBondContact O-CB 3.27Å; T903-L907 PolarHBondContact O-N 3.49Å; G904-L907 PolarHBondContact O-N 3.17Å; Q905-L907 VanDerWaalsContact C-N 3.33Å; Q905-L907 PolarHBondContact O-N 2.82Å; L907-G911 WeakPolarHBondContact O-CA 3.38Å; L907-G911 PolarHBondContact O-N 3.47Å; L907-I924 HydrophobicContact CD1-CG1 4.19Å; L907-I924 HydrophobicContact CD1-CG2 4.35Å; L907-I924 HydrophobicContact CG-CG2 4.24Å; L907-L927 HydrophobicContact CD2-CB 3.54Å; L907-L928 HydrophobicContact CB-CD2 3.83Å; L907-L928 HydrophobicContact CB-CG 4.33Å; L907-L928 HydrophobicContact CD2-CB 4.3Å; L907-L928 HydrophobicContact CD2-CD2 3.85Å; L907-L928 HydrophobicContact CD2-CG 3.61Å; L907-L928 HydrophobicContact CG-CD2 3.86Å; L907-L928 HydrophobicContact CG-CG 3.77Å; L907-I931 HydrophobicContact CD2-CD1 3.98Å |
| 908 | F | 85.4 | Confident | 86.3 | Confident | 98 Ų | 98 | 57.9 Ų | 57.9 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.8 | -49.9 | 174.9 | -176.3 | -98.5 | 0 | 0 | 0 | 111.2 | G904 Q905 L906 V912 L928 | G904-F908 VanDerWaalsContact O-CB 3.31Å; G904-F908 WeakPolarHBondContact O-CB 3.47Å; G904-F908 PolarHBondContact O-N 3.48Å; Q905-F908 PolarHBondContact O-N 2.78Å; L906-F908 VanDerWaalsContact C-N 3.33Å; L906-F908 PolarHBondContact O-N 3.27Å; F908-V912 HydrophobicContact CE2-CG2 4.31Å; F908-V912 WeakPolarHBondContact O-CB 3.41Å; F908-V912 VanDerWaalsContact O-CG1 3.3Å; F908-V912 WeakPolarHBondContact O-CG1 3.39Å; F908-V912 PolarHBondContact O-N 3.1Å; F908-L928 HydrophobicContact CB-CD2 4.26Å |
| 909 | V | 83.7 | Confident | 86 | Confident | 64 Ų | 64 | 61 Ų | 61 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | -178.3 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | C866 Q905 L906 | C866-V909 HydrophobicContact CB-CG2 4.08Å; Q905-V909 WeakPolarHBondContact O-CG2 3.17Å; Q905-V909 PolarHBondContact O-N 2.89Å; L906-V909 PolarHBondContact O-N 2.83Å |
| 910 | F | 84.9 | Confident | 85.9 | Confident | 146 Ų | 146 | 60 Ų | 60 | 64% | 0.64 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -90.3 | -16.4 | -176 | -65.2 | -62 | 0 | 0 | 0 | 114.1 | L906 K914 | L906-F910 HydrophobicContact CB-CD2 4.48Å; L906-F910 HydrophobicContact CD2-CD2 4.46Å; L906-F910 HydrophobicContact CD2-CE2 3.89Å; L906-F910 WeakPolarHBondContact O-CB 3.25Å; L906-F910 WeakPolarHBondContact O-CD2 3.34Å; L906-F910 PolarHBondContact O-N 2.8Å; F910-K914 WeakPolarHBondContact O-CE 3.37Å |
| 911 | G | 82.8 | Confident | 85.7 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -110.2 | -28.5 | -168 | 0 | 0 | 0 | 0 | 0 | 115.9 | L907 D913 K914 | L907-G911 WeakPolarHBondContact O-CA 3.38Å; L907-G911 PolarHBondContact O-N 3.47Å; G911-D913 PolarHBondContact O-N 2.59Å; G911-D913 VanDerWaalsContact O-N 3.13Å; G911-K914 WeakPolarHBondContact O-CB 3.24Å; G911-K914 PolarHBondContact O-N 3.05Å; G911-K914 VanDerWaalsContact O-N 3.09Å |
| 912 | V | 82.4 | Confident | 85.8 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.8 | -170.5 | 73.9 | 0 | 0 | 0 | 0 | 113.5 | F908 Y992 C993 | F908-V912 HydrophobicContact CE2-CG2 4.31Å; F908-V912 WeakPolarHBondContact O-CB 3.41Å; F908-V912 VanDerWaalsContact O-CG1 3.3Å; F908-V912 WeakPolarHBondContact O-CG1 3.39Å; F908-V912 PolarHBondContact O-N 3.1Å; V912-Y992 WeakPolarHBondContact O-CA 3.34Å; V912-C993 PolarHBondContact O-N 3.43Å |
| 913 | D | 79 | Confident | 85.8 | Confident | 134 Ų | 134 | 65 Ų | 65 | 72% | 0.717 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.3 | -177.7 | -163.5 | 22.7 | 0 | 0 | 0 | 113.6 | G911 T915 | G911-D913 PolarHBondContact O-N 2.59Å; G911-D913 VanDerWaalsContact O-N 3.13Å; D913-T915 PolarHBondContact O-N 2.88Å |
| 914 | K | 82.9 | Confident | 85.8 | Confident | 118 Ų | 118 | 63 Ų | 63 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | trans | -82.7 | 39.4 | -178.7 | -62.2 | -69.2 | 179.9 | 165.5 | 0 | 113 | F910 G911 A916 V920 I924 | F910-K914 WeakPolarHBondContact O-CE 3.37Å; G911-K914 WeakPolarHBondContact O-CB 3.24Å; G911-K914 PolarHBondContact O-N 3.05Å; G911-K914 VanDerWaalsContact O-N 3.09Å; K914-A916 VanDerWaalsContact C-N 3.33Å; K914-A916 PolarHBondContact O-N 3.18Å; K914-V920 HydrophobicContact CB-CG1 4.1Å; K914-I924 HydrophobicContact CB-CD1 3.88Å; K914-I924 HydrophobicContact CG-CD1 4.02Å | ||
| 915 | T | 81 | Confident | 85.9 | Confident | 38 Ų | 38 | 63 Ų | 63 | 23% | 0.233 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -24.6 | -173.3 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | D913 N917 | D913-T915 PolarHBondContact O-N 2.88Å; T915-N917 PolarHBondContact O-N 3.17Å |
| 916 | A | 74.1 | Confident | 86.2 | Confident | 106 Ų | 106 | 64.2 Ų | 64.2 | 88% | 0.876 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K914 | K914-A916 VanDerWaalsContact C-N 3.33Å; K914-A916 PolarHBondContact O-N 3.18Å |
| 917 | N | 82.9 | Confident | 86.5 | Confident | 85 Ų | 85 | 65 Ų | 65 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -111.1 | 103.4 | 177.1 | -176 | -30.9 | 0 | 0 | 0 | 109.5 | T915 A919 V920 C921 | T915-N917 PolarHBondContact O-N 3.17Å; N917-A919 VanDerWaalsContact C-N 3.29Å; N917-A919 PolarHBondContact O-N 3.09Å; N917-A919 PolarHBondContact OD1-N 3.33Å; N917-A919 VanDerWaalsContact OD1-N 3.15Å; N917-V920 HydrophobicContact CB-CB 4.04Å; N917-V920 HydrophobicContact CB-CG2 4.14Å; N917-V920 PolarHBondContact O-N 3.18Å; N917-V920 PolarHBondContact OD1-N 3.5Å; N917-C921 VanDerWaalsContact O-CB 3.3Å; N917-C921 WeakPolarHBondContact O-CB 3.37Å; N917-C921 PolarHBondContact O-N 2.94Å |
| 918 | T | 81.7 | Confident | 86.7 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 72% | 0.718 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.5 | -38.2 | -176.2 | 52.8 | 0 | 0 | 0 | 0 | 113 | C921 F922 | T918-C921 PolarHBondContact O-N 3.34Å; T918-F922 VanDerWaalsContact O-CB 3.26Å; T918-F922 WeakPolarHBondContact O-CB 3.33Å; T918-F922 PolarHBondContact O-N 2.99Å |
| 919 | A | 86.2 | Confident | 87.1 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 54% | 0.537 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69 | -43.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N917 A923 | N917-A919 VanDerWaalsContact C-N 3.29Å; N917-A919 PolarHBondContact O-N 3.09Å; N917-A919 PolarHBondContact OD1-N 3.33Å; N917-A919 VanDerWaalsContact OD1-N 3.15Å; A919-A923 WeakPolarHBondContact O-CB 3.35Å; A919-A923 PolarHBondContact O-N 2.04Å |
| 920 | V | 89 | Confident | 87.7 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | K914 N917 A923 I924 | K914-V920 HydrophobicContact CB-CG1 4.1Å; N917-V920 HydrophobicContact CB-CB 4.04Å; N917-V920 HydrophobicContact CB-CG2 4.14Å; N917-V920 PolarHBondContact O-N 3.18Å; N917-V920 PolarHBondContact OD1-N 3.5Å; V920-A923 PolarHBondContact O-N 2.77Å; V920-I924 HydrophobicContact CG1-CD1 3.55Å; V920-I924 HydrophobicContact CG1-CG1 4.31Å; V920-I924 WeakPolarHBondContact O-CB 3.4Å; V920-I924 WeakPolarHBondContact O-CD1 3.26Å; V920-I924 WeakPolarHBondContact O-CG1 3.48Å; V920-I924 PolarHBondContact O-N 2.86Å |
| 921 | C | 89.7 | Confident | 88.2 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.034 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 179 | -162.9 | 0 | 0 | 0 | 0 | 112.2 | N917 T918 I924 A925 C993 | N917-C921 VanDerWaalsContact O-CB 3.3Å; N917-C921 WeakPolarHBondContact O-CB 3.37Å; N917-C921 PolarHBondContact O-N 2.94Å; T918-C921 PolarHBondContact O-N 3.34Å; C921-I924 PolarHBondContact O-N 3.23Å; C921-A925 WeakPolarHBondContact O-CB 3.37Å; C921-A925 PolarHBondContact O-N 2.96Å; C921-C993 WeakPolarHBondContact CA-SG 3.36Å; C921-C993 HydrophobicContact CB-CB 4.05Å; C921-C993 WeakPolarHBondContact CB-SG 3.5Å; C921-C993 WeakPolarHBondContact SG-CA 3.27Å; C921-C993 WeakPolarHBondContact SG-CB 3.19Å; C921-C993 CovalentContact SG-SG 2.04Å; C921-C993 PolarHBondContact SG-SG 3.3Å |
| 922 | F | 92.7 | Very high | 88.7 | Confident | 74 Ų | 74 | 52.4 Ų | 52.4 | 33% | 0.325 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 173.1 | 172.4 | -97.8 | 0 | 0 | 0 | 111.6 | T918 I924 A925 V926 W984 Y987 | T918-F922 VanDerWaalsContact O-CB 3.26Å; T918-F922 WeakPolarHBondContact O-CB 3.33Å; T918-F922 PolarHBondContact O-N 2.99Å; F922-I924 VanDerWaalsContact C-N 3.33Å; F922-I924 PolarHBondContact O-N 3.26Å; F922-A925 PolarHBondContact O-N 3.48Å; F922-V926 HydrophobicContact CD1-CG2 4.47Å; F922-V926 HydrophobicContact CD2-CG2 4.37Å; F922-V926 HydrophobicContact CE1-CG2 4.07Å; F922-V926 HydrophobicContact CE2-CG2 3.95Å; F922-V926 HydrophobicContact CZ-CG2 3.79Å; F922-V926 WeakPolarHBondContact O-CG2 3.02Å; F922-V926 PolarHBondContact O-N 2.73Å; F922-W984 HydrophobicContact CE2-CB 3.86Å; F922-W984 HydrophobicContact CZ-CB 4.33Å; F922-Y987 HydrophobicContact CE2-CG 4.29Å |
| 923 | A | 93.1 | Very high | 89.2 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | A919 V920 V926 L927 | A919-A923 WeakPolarHBondContact O-CB 3.35Å; A919-A923 PolarHBondContact O-N 2.04Å; V920-A923 PolarHBondContact O-N 2.77Å; A923-V926 PolarHBondContact O-N 2.91Å; A923-L927 WeakPolarHBondContact O-CB 3.46Å; A923-L927 WeakPolarHBondContact O-CD1 3.5Å; A923-L927 WeakPolarHBondContact O-CG 3.22Å; A923-L927 PolarHBondContact O-N 3.48Å |
| 924 | I | 92.1 | Very high | 89.9 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 175.3 | -71.7 | 166.3 | 0 | 0 | 0 | 110.1 | L907 K914 V920 C921 F922 V926 L927 L928 C993 | L907-I924 HydrophobicContact CD1-CG1 4.19Å; L907-I924 HydrophobicContact CD1-CG2 4.35Å; L907-I924 HydrophobicContact CG-CG2 4.24Å; K914-I924 HydrophobicContact CB-CD1 3.88Å; K914-I924 HydrophobicContact CG-CD1 4.02Å; V920-I924 HydrophobicContact CG1-CD1 3.55Å; V920-I924 HydrophobicContact CG1-CG1 4.31Å; V920-I924 WeakPolarHBondContact O-CB 3.4Å; V920-I924 WeakPolarHBondContact O-CD1 3.26Å; V920-I924 WeakPolarHBondContact O-CG1 3.48Å; V920-I924 PolarHBondContact O-N 2.86Å; C921-I924 PolarHBondContact O-N 3.23Å; F922-I924 VanDerWaalsContact C-N 3.33Å; F922-I924 PolarHBondContact O-N 3.26Å; I924-V926 VanDerWaalsContact C-N 3.33Å; I924-V926 PolarHBondContact O-N 2.82Å; I924-L927 PolarHBondContact O-N 3.03Å; I924-L928 HydrophobicContact CG2-CD1 3.65Å; I924-L928 HydrophobicContact CG2-CG 4.12Å; I924-L928 WeakPolarHBondContact O-CB 3.05Å; I924-L928 WeakPolarHBondContact O-CG 3.08Å; I924-L928 PolarHBondContact O-N 2.95Å; I924-C993 HydrophobicContact CB-CB 4.35Å; I924-C993 HydrophobicContact CG2-CB 4.03Å |
| 925 | A | 92.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.8 | -42.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C921 F922 H929 Y987 | C921-A925 WeakPolarHBondContact O-CB 3.37Å; C921-A925 PolarHBondContact O-N 2.96Å; F922-A925 PolarHBondContact O-N 3.48Å; A925-H929 WeakPolarHBondContact O-CB 3.34Å; A925-H929 PolarHBondContact O-N 3.21Å; A925-Y987 HydrophobicContact CB-CD1 4.05Å |
| 926 | V | 95.2 | Very high | 90.8 | Very high | 33 Ų | 33 | 37.1 Ų | 37.1 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65 | -47.7 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | F922 A923 I924 L928 H929 F930 V976 A980 Y987 | F922-V926 HydrophobicContact CD1-CG2 4.47Å; F922-V926 HydrophobicContact CD2-CG2 4.37Å; F922-V926 HydrophobicContact CE1-CG2 4.07Å; F922-V926 HydrophobicContact CE2-CG2 3.95Å; F922-V926 HydrophobicContact CZ-CG2 3.79Å; F922-V926 WeakPolarHBondContact O-CG2 3.02Å; F922-V926 PolarHBondContact O-N 2.73Å; A923-V926 PolarHBondContact O-N 2.91Å; I924-V926 VanDerWaalsContact C-N 3.33Å; I924-V926 PolarHBondContact O-N 2.82Å; V926-L928 VanDerWaalsContact C-N 3.35Å; V926-L928 PolarHBondContact O-N 3.13Å; V926-H929 PolarHBondContact O-N 2.03Å; V926-F930 PolarHBondContact O-N 2.9Å; V926-V976 HydrophobicContact CG1-CG1 3.77Å; V926-A980 HydrophobicContact CG2-CB 4.38Å; V926-Y987 HydrophobicContact CB-CD1 4.37Å; V926-Y987 HydrophobicContact CB-CE1 4.48Å; V926-Y987 HydrophobicContact CG2-CD1 3.52Å; V926-Y987 HydrophobicContact CG2-CE1 3.87Å; V926-Y987 HydrophobicContact CG2-CG 4.02Å |
| 927 | L | 95.2 | Very high | 91.7 | Very high | 85 Ų | 85 | 32.9 Ų | 32.9 | 45% | 0.445 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 178.2 | -79.1 | 163.5 | 0 | 0 | 0 | 111.8 | L907 A923 I924 F930 I931 | L907-L927 HydrophobicContact CD2-CB 3.54Å; A923-L927 WeakPolarHBondContact O-CB 3.46Å; A923-L927 WeakPolarHBondContact O-CD1 3.5Å; A923-L927 WeakPolarHBondContact O-CG 3.22Å; A923-L927 PolarHBondContact O-N 3.48Å; I924-L927 PolarHBondContact O-N 3.03Å; L927-F930 PolarHBondContact O-N 3.43Å; L927-I931 HydrophobicContact CB-CD1 4.47Å; L927-I931 WeakPolarHBondContact O-CB 3.49Å; L927-I931 WeakPolarHBondContact O-CD1 3.4Å; L927-I931 WeakPolarHBondContact O-CG1 3.4Å; L927-I931 PolarHBondContact O-N 3.12Å |
| 928 | L | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 179.1 | -94.7 | -174.2 | 0 | 0 | 0 | 111.9 | L907 F908 I924 V926 F932 W994 | L907-L928 HydrophobicContact CB-CD2 3.83Å; L907-L928 HydrophobicContact CB-CG 4.33Å; L907-L928 HydrophobicContact CD2-CB 4.3Å; L907-L928 HydrophobicContact CD2-CD2 3.85Å; L907-L928 HydrophobicContact CD2-CG 3.61Å; L907-L928 HydrophobicContact CG-CD2 3.86Å; L907-L928 HydrophobicContact CG-CG 3.77Å; F908-L928 HydrophobicContact CB-CD2 4.26Å; I924-L928 HydrophobicContact CG2-CD1 3.65Å; I924-L928 HydrophobicContact CG2-CG 4.12Å; I924-L928 WeakPolarHBondContact O-CB 3.05Å; I924-L928 WeakPolarHBondContact O-CG 3.08Å; I924-L928 PolarHBondContact O-N 2.95Å; V926-L928 VanDerWaalsContact C-N 3.35Å; V926-L928 PolarHBondContact O-N 3.13Å; L928-F932 HydrophobicContact CD2-CD2 4.45Å; L928-F932 HydrophobicContact CD2-CE2 3.82Å; L928-F932 HydrophobicContact CD2-CZ 4.38Å; L928-F932 WeakPolarHBondContact O-CD2 3.49Å; L928-F932 PolarHBondContact O-N 3.07Å; L928-W994 HydrophobicContact CB-CE3 3.61Å; L928-W994 HydrophobicContact CB-CH2 4.43Å; L928-W994 HydrophobicContact CB-CZ3 3.39Å; L928-W994 HydrophobicContact CD1-CE3 3.81Å; L928-W994 HydrophobicContact CD1-CZ3 4.25Å; L928-W994 HydrophobicContact CD2-CZ3 4.35Å; L928-W994 HydrophobicContact CG-CE3 4.22Å; L928-W994 HydrophobicContact CG-CZ3 4.19Å |
| 929 | H | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.8 | -50.4 | 172.2 | -174.2 | -178.1 | 0 | 0 | 0 | 111.2 | A925 V926 L933 V976 Y987 I995 S1004 F1005 | A925-H929 WeakPolarHBondContact O-CB 3.34Å; A925-H929 PolarHBondContact O-N 3.21Å; V926-H929 PolarHBondContact O-N 2.03Å; H929-L933 VanDerWaalsContact O-CB 3.23Å; H929-L933 WeakPolarHBondContact O-CB 3.43Å; H929-L933 PolarHBondContact O-N 3.31Å; H929-V976 HydrophobicContact CB-CG2 4.22Å; H929-Y987 HydrophobicContact CB-CE1 4.22Å; H929-Y987 PolarHBondContact CE1-OH 3.49Å; H929-Y987 AromaticContact ND1-CE1 3.72Å; H929-Y987 AromaticContact ND1-CZ 3.68Å; H929-Y987 PolarHBondContact ND1-OH 3.3Å; H929-I995 HydrophobicContact CB-CD1 4.01Å; H929-I995 HydrophobicContact CB-CG1 4.45Å; H929-I995 VanDerWaalsContact ND1-CD1 3.29Å; H929-I995 WeakPolarHBondContact ND1-CD1 3.45Å; H929-S1004 PolarHBondContact CE1-OG 3.29Å; H929-S1004 VanDerWaalsContact CE1-OG 3.27Å; H929-F1005 AromaticContact CD2-CD2 3.61Å; H929-F1005 AromaticContact NE2-CD2 3.92Å |
| 930 | F | 96.6 | Very high | 92.5 | Very high | 50 Ų | 50 | 23.2 Ų | 23.2 | 22% | 0.219 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.4 | -50.9 | 179.9 | 172.7 | -110.9 | 0 | 0 | 0 | 112.6 | V926 L927 F932 L933 S934 Y969 P972 L973 V976 | V926-F930 PolarHBondContact O-N 2.9Å; L927-F930 PolarHBondContact O-N 3.43Å; F930-F932 PolarHBondContact O-N 3.04Å; F930-L933 PolarHBondContact O-N 2.91Å; F930-S934 WeakPolarHBondContact O-CB 3.26Å; F930-S934 PolarHBondContact O-N 2.92Å; F930-S934 PolarHBondContact O-OG 3.48Å; F930-Y969 HydrophobicContact CZ-CD1 4.08Å; F930-P972 HydrophobicContact CD2-CB 3.95Å; F930-P972 HydrophobicContact CE2-CB 4.07Å; F930-L973 HydrophobicContact CD2-CB 4.39Å; F930-L973 HydrophobicContact CE2-CB 3.87Å; F930-L973 HydrophobicContact CE2-CD1 4.32Å; F930-V976 HydrophobicContact CB-CG2 4.15Å |
| 931 | I | 95.3 | Very high | 92.4 | Very high | 19 Ų | 19 | 20.7 Ų | 20.7 | 10% | 0.097 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | -174.5 | -69.4 | 162.1 | 0 | 0 | 0 | 111.6 | C900 T903 L907 L927 S934 A935 | C900-I931 HydrophobicContact CB-CG2 4.24Å; C900-I931 WeakPolarHBondContact O-CG2 3.39Å; T903-I931 HydrophobicContact CG2-CD1 3.78Å; L907-I931 HydrophobicContact CD2-CD1 3.98Å; L927-I931 HydrophobicContact CB-CD1 4.47Å; L927-I931 WeakPolarHBondContact O-CB 3.49Å; L927-I931 WeakPolarHBondContact O-CD1 3.4Å; L927-I931 WeakPolarHBondContact O-CG1 3.4Å; L927-I931 PolarHBondContact O-N 3.12Å; I931-S934 PolarHBondContact O-N 3.11Å; I931-A935 PolarHBondContact O-N 3Å |
| 932 | F | 92.2 | Very high | 92 | Very high | 15 Ų | 15 | 20.9 Ų | 20.9 | 7% | 0.066 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.2 | -41.1 | 179.4 | -72.9 | -47.4 | 0 | 0 | 0 | 111.6 | L928 F930 S934 A935 F936 W994 F1005 W1060 | L928-F932 HydrophobicContact CD2-CD2 4.45Å; L928-F932 HydrophobicContact CD2-CE2 3.82Å; L928-F932 HydrophobicContact CD2-CZ 4.38Å; L928-F932 WeakPolarHBondContact O-CD2 3.49Å; L928-F932 PolarHBondContact O-N 3.07Å; F930-F932 PolarHBondContact O-N 3.04Å; F932-S934 VanDerWaalsContact C-N 3.3Å; F932-S934 PolarHBondContact O-N 3.31Å; F932-A935 WeakPolarHBondContact O-CA 3.45Å; F932-A935 VanDerWaalsContact O-CB 3.31Å; F932-A935 WeakPolarHBondContact O-CB 3.33Å; F932-A935 PolarHBondContact O-N 3.35Å; F932-F936 WeakPolarHBondContact O-CD2 3.23Å; F932-F936 PolarHBondContact O-N 2.91Å; F932-W994 AromaticContact CD2-CH2 3.62Å; F932-W994 HydrophobicContact CD2-CH2 3.62Å; F932-W994 AromaticContact CD2-CZ3 3.54Å; F932-W994 HydrophobicContact CD2-CZ3 3.54Å; F932-W994 HydrophobicContact CE2-CH2 4.33Å; F932-W994 AromaticContact CE2-CZ3 3.84Å; F932-W994 HydrophobicContact CE2-CZ3 3.84Å; F932-F1005 HydrophobicContact CB-CE2 3.97Å; F932-F1005 HydrophobicContact CB-CZ 4.21Å; F932-W1060 HydrophobicContact CD1-CH2 4.19Å; F932-W1060 HydrophobicContact CD1-CZ2 4.02Å; F932-W1060 HydrophobicContact CD2-CH2 4.28Å; F932-W1060 HydrophobicContact CE1-CH2 4.49Å; F932-W1060 HydrophobicContact CE1-CZ2 4.34Å; F932-W1060 HydrophobicContact CG-CH2 4.11Å; F932-W1060 HydrophobicContact CG-CZ2 4.34Å |
| 933 | L | 93.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 176.3 | -172.3 | 58 | 0 | 0 | 0 | 111.6 | H929 F930 F936 C937 P972 I975 P1008 | H929-L933 VanDerWaalsContact O-CB 3.23Å; H929-L933 WeakPolarHBondContact O-CB 3.43Å; H929-L933 PolarHBondContact O-N 3.31Å; F930-L933 PolarHBondContact O-N 2.91Å; L933-F936 WeakPolarHBondContact O-CB 3.3Å; L933-F936 PolarHBondContact O-N 3.21Å; L933-C937 PolarHBondContact O-N 3.15Å; L933-C937 PolarHBondContact O-SG 3.41Å; L933-P972 HydrophobicContact CB-CB 4.06Å; L933-P972 HydrophobicContact CB-CG 4.46Å; L933-P972 HydrophobicContact CD2-CB 3.99Å; L933-P972 HydrophobicContact CG-CB 3.85Å; L933-P972 HydrophobicContact CG-CG 4.04Å; L933-I975 HydrophobicContact CD2-CB 4.07Å; L933-I975 HydrophobicContact CD2-CD1 4.07Å; L933-I975 HydrophobicContact CD2-CG2 4.01Å; L933-P1008 HydrophobicContact CD1-CB 3.67Å; L933-P1008 HydrophobicContact CD1-CG 4.42Å |
| 934 | S | 94.9 | Very high | 91 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.6 | -39.1 | 169.6 | -71.4 | 0 | 0 | 0 | 0 | 113.3 | F930 I931 F932 F936 C937 W938 Y969 | F930-S934 WeakPolarHBondContact O-CB 3.26Å; F930-S934 PolarHBondContact O-N 2.92Å; F930-S934 PolarHBondContact O-OG 3.48Å; I931-S934 PolarHBondContact O-N 3.11Å; F932-S934 VanDerWaalsContact C-N 3.3Å; F932-S934 PolarHBondContact O-N 3.31Å; S934-F936 VanDerWaalsContact C-N 3.29Å; S934-F936 PolarHBondContact O-N 2.93Å; S934-C937 PolarHBondContact O-N 3.25Å; S934-W938 PolarHBondContact O-N 2.63Å; S934-Y969 WeakPolarHBondContact OG-CD1 3.4Å |
| 935 | A | 91.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.1 | -41.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L897 C900 L901 I931 F932 W938 M939 | L897-A935 HydrophobicContact CD1-CB 4.28Å; L897-A935 WeakPolarHBondContact CD1-O 3.5Å; C900-A935 HydrophobicContact CB-CB 3.8Å; L901-A935 HydrophobicContact CD2-CB 4.15Å; I931-A935 PolarHBondContact O-N 3Å; F932-A935 WeakPolarHBondContact O-CA 3.45Å; F932-A935 VanDerWaalsContact O-CB 3.31Å; F932-A935 WeakPolarHBondContact O-CB 3.33Å; F932-A935 PolarHBondContact O-N 3.35Å; A935-W938 PolarHBondContact O-N 2.62Å; A935-M939 PolarHBondContact O-N 2.98Å |
| 936 | F | 90.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 174.3 | -78.3 | -78.9 | 0 | 0 | 0 | 112.8 | F932 L933 S934 W938 M939 L940 F1005 V1009 V1012 I1013 W1060 | F932-F936 WeakPolarHBondContact O-CD2 3.23Å; F932-F936 PolarHBondContact O-N 2.91Å; L933-F936 WeakPolarHBondContact O-CB 3.3Å; L933-F936 PolarHBondContact O-N 3.21Å; S934-F936 VanDerWaalsContact C-N 3.29Å; S934-F936 PolarHBondContact O-N 2.93Å; F936-W938 VanDerWaalsContact C-N 3.32Å; F936-W938 PolarHBondContact O-N 2.76Å; F936-M939 HydrophobicContact CD1-CE 3.38Å; F936-M939 HydrophobicContact CE1-CE 3.79Å; F936-M939 HydrophobicContact CG-CE 4.28Å; F936-M939 WeakPolarHBondContact O-CB 3.3Å; F936-M939 PolarHBondContact O-N 2.88Å; F936-M939 VanDerWaalsContact O-N 3.13Å; F936-L940 PolarHBondContact O-N 3.37Å; F936-F1005 HydrophobicContact CE2-CE2 4.33Å; F936-F1005 AromaticContact CE2-CZ 3.95Å; F936-F1005 HydrophobicContact CE2-CZ 3.95Å; F936-V1009 HydrophobicContact CD1-CG1 4.18Å; F936-V1009 HydrophobicContact CD1-CG2 4.28Å; F936-V1009 HydrophobicContact CD2-CG2 3.62Å; F936-V1009 HydrophobicContact CE1-CB 4.42Å; F936-V1009 HydrophobicContact CE1-CG1 3.58Å; F936-V1009 HydrophobicContact CE1-CG2 4.21Å; F936-V1009 HydrophobicContact CE2-CG1 4.17Å; F936-V1009 HydrophobicContact CE2-CG2 3.53Å; F936-V1009 HydrophobicContact CG-CG2 3.99Å; F936-V1009 HydrophobicContact CZ-CB 4.31Å; F936-V1009 HydrophobicContact CZ-CG1 3.53Å; F936-V1009 HydrophobicContact CZ-CG2 3.79Å; F936-V1012 HydrophobicContact CB-CG1 4.21Å; F936-V1012 HydrophobicContact CB-CG2 4.48Å; F936-V1012 HydrophobicContact CD1-CG1 4.21Å; F936-V1012 WeakPolarHBondContact O-CG1 3.36Å; F936-I1013 HydrophobicContact CE1-CD1 4.4Å; F936-I1013 HydrophobicContact CE1-CG1 4.45Å; F936-W1060 HydrophobicContact CE1-CB 3.94Å; F936-W1060 AromaticContact CE1-CD1 3.8Å; F936-W1060 HydrophobicContact CE1-CD2 4.36Å; F936-W1060 AromaticContact CE1-CG 3.8Å; F936-W1060 HydrophobicContact CE1-CG 3.8Å; F936-W1060 AromaticContact CE2-CD2 3.9Å; F936-W1060 HydrophobicContact CE2-CD2 3.9Å; F936-W1060 AromaticContact CE2-CE2 3.89Å; F936-W1060 HydrophobicContact CE2-CE3 4.22Å; F936-W1060 HydrophobicContact CE2-CG 4.21Å; F936-W1060 HydrophobicContact CE2-CZ2 4.22Å; F936-W1060 HydrophobicContact CZ-CB 3.63Å; F936-W1060 AromaticContact CZ-CD1 3.46Å; F936-W1060 VanDerWaalsContact CZ-CD1 3.46Å; F936-W1060 AromaticContact CZ-CD2 3.34Å; F936-W1060 HydrophobicContact CZ-CD2 3.34Å; F936-W1060 AromaticContact CZ-CE2 3.66Å; F936-W1060 AromaticContact CZ-CE3 3.9Å; F936-W1060 HydrophobicContact CZ-CE3 3.9Å; F936-W1060 AromaticContact CZ-CG 3.22Å; F936-W1060 HydrophobicContact CZ-CG 3.22Å; F936-W1060 HydrophobicContact CZ-CZ2 4.43Å; F936-W1060 AromaticContact CZ-NE1 3.72Å |
| 937 | C | 92.5 | Very high | 88.7 | Confident | 18 Ų | 18 | 24.5 Ų | 24.5 | 12% | 0.122 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.3 | -34.9 | 176.2 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | L933 S934 M939 L940 A941 A968 P972 | L933-C937 PolarHBondContact O-N 3.15Å; L933-C937 PolarHBondContact O-SG 3.41Å; S934-C937 PolarHBondContact O-N 3.25Å; C937-M939 VanDerWaalsContact C-N 3.33Å; C937-L940 WeakPolarHBondContact O-CB 3.08Å; C937-L940 PolarHBondContact O-N 3.25Å; C937-A941 PolarHBondContact O-N 3.04Å; C937-A968 HydrophobicContact CB-CB 4.16Å; C937-P972 HydrophobicContact CB-CG 4.28Å |
| 938 | W | 91.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.3 | -31.8 | 171 | -80.2 | 113.8 | 0 | 0 | 0 | 113.2 | I893 N896 L897 S934 A935 F936 A941 E942 L964 H965 A968 Y969 | I893-W938 HydrophobicContact CB-CE3 4.32Å; I893-W938 HydrophobicContact CB-CZ3 4.49Å; I893-W938 HydrophobicContact CG1-CE3 4.28Å; I893-W938 HydrophobicContact CG1-CZ3 4.08Å; I893-W938 HydrophobicContact CG2-CE3 4.08Å; I893-W938 WeakPolarHBondContact CG2-O 3.41Å; N896-W938 HydrophobicContact CB-CD2 3.66Å; N896-W938 HydrophobicContact CB-CE3 4.22Å; N896-W938 HydrophobicContact CB-CG 4.07Å; N896-W938 HydrophobicContact CB-CH2 4.21Å; N896-W938 HydrophobicContact CB-CZ2 3.66Å; N896-W938 HydrophobicContact CB-CZ3 4.47Å; L897-W938 HydrophobicContact CB-CB 4.39Å; L897-W938 HydrophobicContact CD1-CB 4.36Å; S934-W938 PolarHBondContact O-N 2.63Å; A935-W938 PolarHBondContact O-N 2.62Å; F936-W938 VanDerWaalsContact C-N 3.32Å; F936-W938 PolarHBondContact O-N 2.76Å; W938-A941 HydrophobicContact CE3-CB 4.09Å; W938-A941 WeakPolarHBondContact O-CB 3.3Å; W938-A941 PolarHBondContact O-N 3.31Å; W938-E942 PolarHBondContact O-N 2.94Å; W938-L964 HydrophobicContact CZ3-CD2 4.09Å; W938-L964 HydrophobicContact CZ3-CG 4.14Å; W938-H965 HydrophobicContact CH2-CB 4.43Å; W938-H965 AromaticContact CH2-CD2 3.55Å; W938-H965 AromaticContact CH2-CE1 3.76Å; W938-H965 AromaticContact CH2-CG 3.7Å; W938-H965 AromaticContact CH2-ND1 3.82Å; W938-H965 AromaticContact CH2-NE2 3.59Å; W938-H965 AromaticContact CZ2-CD2 3.64Å; W938-A968 HydrophobicContact CD2-CB 3.75Å; W938-A968 HydrophobicContact CE3-CB 4.19Å; W938-A968 HydrophobicContact CG-CB 4.13Å; W938-A968 HydrophobicContact CH2-CB 4.34Å; W938-A968 HydrophobicContact CZ2-CB 3.9Å; W938-A968 HydrophobicContact CZ3-CB 4.47Å; W938-Y969 AromaticContact CE2-CE2 3.75Å; W938-Y969 AromaticContact CE2-CZ 3.97Å; W938-Y969 HydrophobicContact CZ2-CD2 4.04Å; W938-Y969 AromaticContact CZ2-CE2 3.53Å; W938-Y969 HydrophobicContact CZ2-CE2 3.53Å; W938-Y969 AromaticContact NE1-CD2 3.98Å; W938-Y969 AromaticContact NE1-CE1 3.62Å; W938-Y969 AromaticContact NE1-CE2 3.36Å; W938-Y969 AromaticContact NE1-CZ 3.14Å; W938-Y969 PolarHBondContact NE1-OH 2.96Å |
| 939 | M | 87.1 | Confident | 86.7 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.02 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.8 | -39.4 | 171 | -176.9 | -174.4 | 7.4 | 0 | 0 | 111.9 | A935 F936 C937 A941 E942 G943 L1053 L1056 | A935-M939 PolarHBondContact O-N 2.98Å; F936-M939 HydrophobicContact CD1-CE 3.38Å; F936-M939 HydrophobicContact CE1-CE 3.79Å; F936-M939 HydrophobicContact CG-CE 4.28Å; F936-M939 WeakPolarHBondContact O-CB 3.3Å; F936-M939 PolarHBondContact O-N 2.88Å; F936-M939 VanDerWaalsContact O-N 3.13Å; C937-M939 VanDerWaalsContact C-N 3.33Å; M939-A941 PolarHBondContact O-N 2.93Å; M939-E942 WeakPolarHBondContact O-CB 3.39Å; M939-E942 PolarHBondContact O-N 2.87Å; M939-E942 VanDerWaalsContact O-N 3.11Å; M939-G943 PolarHBondContact O-N 3.23Å; M939-L1053 HydrophobicContact CG-CD1 3.53Å; M939-L1053 HydrophobicContact SD-CD1 3.83Å; M939-L1056 HydrophobicContact CB-CD2 4.34Å; M939-L1056 HydrophobicContact CE-CB 3.67Å; M939-L1056 HydrophobicContact CE-CD2 3.2Å; M939-L1056 HydrophobicContact CE-CG 3.98Å; M939-L1056 HydrophobicContact CG-CD2 4.34Å; M939-L1056 HydrophobicContact SD-CB 3.36Å; M939-L1056 WeakPolarHBondContact SD-CB 3.4Å; M939-L1056 HydrophobicContact SD-CD2 3.68Å; M939-L1056 HydrophobicContact SD-CG 4.12Å |
| 940 | L | 88.7 | Confident | 85.4 | Confident | 60 Ų | 60 | 29.8 Ų | 29.8 | 31% | 0.314 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.3 | -40.9 | 171.2 | -178 | 62.8 | 0 | 0 | 0 | 110.9 | F936 C937 E942 G943 Y944 V1012 V1015 | F936-L940 PolarHBondContact O-N 3.37Å; C937-L940 WeakPolarHBondContact O-CB 3.08Å; C937-L940 PolarHBondContact O-N 3.25Å; L940-E942 VanDerWaalsContact C-N 3.31Å; L940-E942 PolarHBondContact O-N 2.78Å; L940-G943 PolarHBondContact O-N 2.87Å; L940-Y944 WeakPolarHBondContact O-CB 3.31Å; L940-Y944 PolarHBondContact O-N 2.94Å; L940-V1012 HydrophobicContact CB-CG1 4.08Å; L940-V1012 HydrophobicContact CB-CG2 4.33Å; L940-V1012 HydrophobicContact CD2-CG2 4.3Å; L940-V1015 HydrophobicContact CD1-CB 3.9Å; L940-V1015 HydrophobicContact CD1-CG1 3.58Å |
| 941 | A | 87.2 | Confident | 84 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 5% | 0.05 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -37.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C937 W938 M939 Y944 Q945 L964 | C937-A941 PolarHBondContact O-N 3.04Å; W938-A941 HydrophobicContact CE3-CB 4.09Å; W938-A941 WeakPolarHBondContact O-CB 3.3Å; W938-A941 PolarHBondContact O-N 3.31Å; M939-A941 PolarHBondContact O-N 2.93Å; A941-Y944 PolarHBondContact O-N 3.14Å; A941-Q945 WeakPolarHBondContact O-CB 3.35Å; A941-Q945 PolarHBondContact O-N 3.49Å; A941-L964 HydrophobicContact CB-CD1 3.51Å; A941-L964 HydrophobicContact CB-CD2 4.04Å; A941-L964 HydrophobicContact CB-CG 3.91Å |
| 942 | E | 83 | Confident | 82.3 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.7 | -46.2 | 172.6 | -174.4 | 177.3 | 171.4 | 0 | 0 | 112 | I893 H894 W938 M939 L940 Y944 Q945 L946 | I893-E942 HydrophobicContact CG2-CB 3.98Å; H894-E942 IonicContact CE1-OE1 2.89Å; H894-E942 PolarHBondContact CE1-OE1 2.85Å; H894-E942 IonicContact CE1-OE2 3.37Å; H894-E942 IonicContact ND1-OE2 3.81Å; W938-E942 PolarHBondContact O-N 2.94Å; M939-E942 WeakPolarHBondContact O-CB 3.39Å; M939-E942 PolarHBondContact O-N 2.87Å; M939-E942 VanDerWaalsContact O-N 3.11Å; L940-E942 VanDerWaalsContact C-N 3.31Å; L940-E942 PolarHBondContact O-N 2.78Å; E942-Y944 VanDerWaalsContact C-N 3.32Å; E942-Y944 PolarHBondContact O-N 3.36Å; E942-Q945 WeakPolarHBondContact O-CB 3.47Å; E942-Q945 PolarHBondContact O-N 2.83Å; E942-L946 PolarHBondContact O-N 3.24Å |
| 943 | G | 82.2 | Confident | 80.5 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M939 L940 Q945 L946 Y947 V1019 | M939-G943 PolarHBondContact O-N 3.23Å; L940-G943 PolarHBondContact O-N 2.87Å; G943-Q945 PolarHBondContact O-N 3.19Å; G943-L946 WeakPolarHBondContact O-CB 3.45Å; G943-L946 PolarHBondContact O-N 2.68Å; G943-L946 VanDerWaalsContact O-N 3.1Å; G943-Y947 PolarHBondContact O-N 2.73Å; G943-V1019 VanDerWaalsContact O-CG1 3.23Å; G943-V1019 WeakPolarHBondContact O-CG1 3.44Å |
| 944 | Y | 82.4 | Confident | 78.4 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 37% | 0.373 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.8 | -173.1 | -107.2 | 0 | 0 | 0 | 113 | L940 A941 E942 L946 Y947 L948 F960 | L940-Y944 WeakPolarHBondContact O-CB 3.31Å; L940-Y944 PolarHBondContact O-N 2.94Å; A941-Y944 PolarHBondContact O-N 3.14Å; E942-Y944 VanDerWaalsContact C-N 3.32Å; E942-Y944 PolarHBondContact O-N 3.36Å; Y944-L946 VanDerWaalsContact C-N 3.27Å; Y944-L946 PolarHBondContact O-N 3.15Å; Y944-Y947 HydrophobicContact CD2-CD1 4.4Å; Y944-Y947 HydrophobicContact CE2-CD1 4.23Å; Y944-Y947 WeakPolarHBondContact O-CB 3.45Å; Y944-Y947 PolarHBondContact O-N 2.97Å; Y944-L948 HydrophobicContact CD1-CD1 3.86Å; Y944-L948 HydrophobicContact CD1-CG 4.15Å; Y944-L948 HydrophobicContact CE1-CD1 3.42Å; Y944-L948 VanDerWaalsContact CE1-CD1 3.42Å; Y944-L948 HydrophobicContact CE1-CD2 4.15Å; Y944-L948 HydrophobicContact CE1-CG 3.75Å; Y944-L948 WeakPolarHBondContact O-CG 3.39Å; Y944-L948 PolarHBondContact O-N 3.41Å; Y944-F960 HydrophobicContact CD1-CE2 4.34Å; Y944-F960 AromaticContact CD1-CZ 3.81Å; Y944-F960 HydrophobicContact CD1-CZ 3.81Å; Y944-F960 AromaticContact CE1-CE2 3.64Å; Y944-F960 HydrophobicContact CE1-CE2 3.64Å; Y944-F960 AromaticContact CE1-CZ 3.49Å; Y944-F960 HydrophobicContact CE1-CZ 3.49Å; Y944-F960 VanDerWaalsContact CE1-CZ 3.49Å |
| 945 | Q | 78.2 | Confident | 76.4 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 173.5 | -179.6 | 66.1 | 42.2 | 0 | 0 | 111.7 | I893 A941 E942 G943 M949 | I893-Q945 HydrophobicContact CD1-CB 3.83Å; I893-Q945 HydrophobicContact CD1-CG 4.11Å; A941-Q945 WeakPolarHBondContact O-CB 3.35Å; A941-Q945 PolarHBondContact O-N 3.49Å; E942-Q945 WeakPolarHBondContact O-CB 3.47Å; E942-Q945 PolarHBondContact O-N 2.83Å; G943-Q945 PolarHBondContact O-N 3.19Å; Q945-M949 PolarHBondContact O-N 3.49Å; Q945-M949 VanDerWaalsContact O-N 3.11Å |
| 946 | L | 76.5 | Confident | 74.3 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 175 | 173.7 | 59.3 | 0 | 0 | 0 | 111.8 | E942 G943 Y944 M949 L950 V1019 A1023 L1046 | E942-L946 PolarHBondContact O-N 3.24Å; G943-L946 WeakPolarHBondContact O-CB 3.45Å; G943-L946 PolarHBondContact O-N 2.68Å; G943-L946 VanDerWaalsContact O-N 3.1Å; Y944-L946 VanDerWaalsContact C-N 3.27Å; Y944-L946 PolarHBondContact O-N 3.15Å; L946-M949 PolarHBondContact O-N 2.79Å; L946-L950 HydrophobicContact CD1-CD1 4.32Å; L946-L950 HydrophobicContact CG-CD1 4.46Å; L946-L950 WeakPolarHBondContact O-CG 2.89Å; L946-L950 PolarHBondContact O-N 2.87Å; L946-V1019 HydrophobicContact CD2-CG1 4.43Å; L946-A1023 HydrophobicContact CD1-CB 4.46Å; L946-A1023 HydrophobicContact CD2-CB 3.86Å; L946-A1023 HydrophobicContact CG-CB 4.16Å; L946-L1046 HydrophobicContact CD1-CD1 3.17Å; L946-L1046 HydrophobicContact CD2-CD1 3.94Å; L946-L1046 HydrophobicContact CG-CD1 4.14Å |
| 947 | Y | 76.7 | Confident | 73 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 174.8 | 172 | -99.2 | 0 | 0 | 0 | 112.1 | G943 Y944 M949 L950 V951 M1022 | G943-Y947 PolarHBondContact O-N 2.73Å; Y944-Y947 HydrophobicContact CD2-CD1 4.4Å; Y944-Y947 HydrophobicContact CE2-CD1 4.23Å; Y944-Y947 WeakPolarHBondContact O-CB 3.45Å; Y944-Y947 PolarHBondContact O-N 2.97Å; Y947-M949 VanDerWaalsContact C-N 3.3Å; Y947-M949 PolarHBondContact O-N 3.48Å; Y947-L950 PolarHBondContact O-N 3.18Å; Y947-V951 HydrophobicContact CD2-CG2 3.98Å; Y947-V951 HydrophobicContact CE1-CB 4.45Å; Y947-V951 HydrophobicContact CE2-CB 4.25Å; Y947-V951 HydrophobicContact CE2-CG2 3.61Å; Y947-V951 PolarHBondContact O-N 3.41Å; Y947-M1022 HydrophobicContact CD2-CE 3.72Å; Y947-M1022 HydrophobicContact CE2-CE 3.93Å |
| 948 | L | 76.6 | Confident | 71.9 | Confident | 27 Ų | 27 | 75.8 Ų | 75.8 | 14% | 0.141 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 178.1 | -74.7 | -179.7 | 0 | 0 | 0 | 112 | Y944 L950 V951 K952 F960 | Y944-L948 HydrophobicContact CD1-CD1 3.86Å; Y944-L948 HydrophobicContact CD1-CG 4.15Å; Y944-L948 HydrophobicContact CE1-CD1 3.42Å; Y944-L948 VanDerWaalsContact CE1-CD1 3.42Å; Y944-L948 HydrophobicContact CE1-CD2 4.15Å; Y944-L948 HydrophobicContact CE1-CG 3.75Å; Y944-L948 WeakPolarHBondContact O-CG 3.39Å; Y944-L948 PolarHBondContact O-N 3.41Å; L948-L950 PolarHBondContact O-N 3.22Å; L948-V951 PolarHBondContact O-N 2.8Å; L948-K952 HydrophobicContact CD2-CB 4.22Å; L948-K952 HydrophobicContact CD2-CD 4.47Å; L948-K952 PolarHBondContact O-N 2.71Å; L948-F960 HydrophobicContact CD1-CE1 4.06Å; L948-F960 HydrophobicContact CD1-CE2 4.45Å; L948-F960 HydrophobicContact CD1-CZ 3.77Å |
| 949 | M | 69.7 | Low | 71 | Confident | 116 Ų | 116 | 79.5 Ų | 79.5 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.6 | -27.1 | 177.7 | -178.5 | 175.4 | 170.4 | 0 | 0 | 113.2 | Q945 L946 Y947 T1042 | Q945-M949 PolarHBondContact O-N 3.49Å; Q945-M949 VanDerWaalsContact O-N 3.11Å; L946-M949 PolarHBondContact O-N 2.79Å; Y947-M949 VanDerWaalsContact C-N 3.3Å; Y947-M949 PolarHBondContact O-N 3.48Å; M949-T1042 HydrophobicContact CE-CG2 4.07Å |
| 950 | L | 67.7 | Low | 70.4 | Confident | 54 Ų | 54 | 81.1 Ų | 81.1 | 28% | 0.283 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -90.4 | -32.9 | -179.1 | -68.9 | 164.6 | 0 | 0 | 0 | 113.5 | L946 Y947 L948 A1023 T1026 | L946-L950 HydrophobicContact CD1-CD1 4.32Å; L946-L950 HydrophobicContact CG-CD1 4.46Å; L946-L950 WeakPolarHBondContact O-CG 2.89Å; L946-L950 PolarHBondContact O-N 2.87Å; Y947-L950 PolarHBondContact O-N 3.18Å; L948-L950 PolarHBondContact O-N 3.22Å; L950-A1023 VanDerWaalsContact CD1-CA 3.43Å; L950-A1023 HydrophobicContact CD1-CB 3.4Å; L950-A1023 VanDerWaalsContact CD1-CB 3.4Å; L950-T1026 HydrophobicContact CD2-CG2 3.98Å |
| 951 | V | 66 | Low | 69.8 | Low | 85 Ų | 85 | 81.1 Ų | 81.1 | 52% | 0.515 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -112.6 | -32.2 | -165.3 | -179 | 0 | 0 | 0 | 0 | 113.5 | Y947 L948 | Y947-V951 HydrophobicContact CD2-CG2 3.98Å; Y947-V951 HydrophobicContact CE1-CB 4.45Å; Y947-V951 HydrophobicContact CE2-CB 4.25Å; Y947-V951 HydrophobicContact CE2-CG2 3.61Å; Y947-V951 PolarHBondContact O-N 3.41Å; L948-V951 PolarHBondContact O-N 2.8Å |
| 952 | K | 59.4 | Low | 69.7 | Low | 118 Ų | 118 | 86.1 Ų | 86.1 | 51% | 0.513 | 42% | 0.42 | S | S | . | . | trans | -122.3 | 133.3 | -168.7 | -116.4 | -175.2 | -179.2 | -178.6 | 0 | 113.9 | L948 E955 | L948-K952 HydrophobicContact CD2-CB 4.22Å; L948-K952 HydrophobicContact CD2-CD 4.47Å; L948-K952 PolarHBondContact O-N 2.71Å; K952-E955 IonicContact NZ-OE1 3.8Å; K952-E955 PolarHBondContact NZ-OE1 2.93Å | ||
| 953 | V | 55.1 | Low | 69.8 | Low | 120 Ų | 120 | 90.2 Ų | 90.2 | 73% | 0.727 | 44% | 0.441 | S | S | * | . | trans | -102 | 102.1 | 177.9 | 174.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 954 | F | 48 | Very low | 69.9 | Low | 194 Ų | 194 | 91 Ų | 91 | 85% | 0.851 | 45% | 0.446 | S | S | * | . | trans | 67.5 | 120.4 | 170.7 | -49.6 | -68.6 | 0 | 0 | 0 | 119.5 | ||||
| 955 | E | 53.2 | Low | 70.2 | Confident | 115 Ų | 115 | 89.3 Ų | 89.3 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | trans | -140.1 | 157.2 | 159.1 | -80 | -174.4 | -174 | 0 | 0 | 110.7 | K952 E957 | K952-E955 IonicContact NZ-OE1 3.8Å; K952-E955 PolarHBondContact NZ-OE1 2.93Å; E955-E957 PolarHBondContact O-N 3.47Å; E955-E957 VanDerWaalsContact O-N 3.15Å | ||
| 956 | C | 47.2 | Very low | 70.7 | Confident | 98 Ų | 98 | 92.2 Ų | 92.2 | 66% | 0.662 | 46% | 0.457 | S | S | * | . | trans | -56.7 | 108.5 | -170.8 | -157.4 | 0 | 0 | 0 | 0 | 113 | R958 S959 | C956-R958 PolarHBondContact O-N 3.36Å; C956-S959 PolarHBondContact O-OG 2.93Å | ||
| 957 | E | 64.4 | Low | 71.4 | Confident | 124 Ų | 124 | 95.9 Ų | 95.9 | 58% | 0.579 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.1 | -31.3 | -164.9 | -73.9 | -164.6 | 177 | 0 | 0 | 115.7 | E955 K961 | E955-E957 PolarHBondContact O-N 3.47Å; E955-E957 VanDerWaalsContact O-N 3.15Å; E957-K961 VanDerWaalsContact O-CD 3.31Å; E957-K961 WeakPolarHBondContact O-CD 3.4Å; E957-K961 WeakPolarHBondContact O-CG 3.37Å; E957-K961 PolarHBondContact O-N 3.25Å; E957-K961 IonicContact OE2-NZ 3.46Å; E957-K961 PolarHBondContact OE2-NZ 3.46Å |
| 958 | R | 68.2 | Low | 72.2 | Confident | 220 Ų | 220 | 92.1 Ų | 92.1 | 83% | 0.83 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -80.2 | -47.2 | -168.6 | -170.9 | 175.2 | 179.8 | 147.6 | -1.2 | 112.8 | C956 F960 K961 L962 | C956-R958 PolarHBondContact O-N 3.36Å; R958-F960 VanDerWaalsContact C-N 3.33Å; R958-K961 PolarHBondContact O-N 2.83Å; R958-L962 PolarHBondContact O-N 2.75Å |
| 959 | S | 73.2 | Confident | 73.1 | Confident | 78 Ų | 78 | 93.8 Ų | 93.8 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 177.8 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | C956 L962 L963 | C956-S959 PolarHBondContact O-OG 2.93Å; S959-L962 PolarHBondContact O-N 2.86Å; S959-L963 PolarHBondContact O-N 2.82Å |
| 960 | F | 75.9 | Confident | 74.3 | Confident | 38 Ų | 38 | 89.8 Ų | 89.8 | 17% | 0.167 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 176.7 | -179.1 | -108.6 | 0 | 0 | 0 | 112.8 | Y944 L948 R958 L962 L963 L964 | Y944-F960 HydrophobicContact CD1-CE2 4.34Å; Y944-F960 AromaticContact CD1-CZ 3.81Å; Y944-F960 HydrophobicContact CD1-CZ 3.81Å; Y944-F960 AromaticContact CE1-CE2 3.64Å; Y944-F960 HydrophobicContact CE1-CE2 3.64Å; Y944-F960 AromaticContact CE1-CZ 3.49Å; Y944-F960 HydrophobicContact CE1-CZ 3.49Å; Y944-F960 VanDerWaalsContact CE1-CZ 3.49Å; L948-F960 HydrophobicContact CD1-CE1 4.06Å; L948-F960 HydrophobicContact CD1-CE2 4.45Å; L948-F960 HydrophobicContact CD1-CZ 3.77Å; R958-F960 VanDerWaalsContact C-N 3.33Å; F960-L962 VanDerWaalsContact C-N 3.33Å; F960-L962 PolarHBondContact O-N 3.42Å; F960-L963 PolarHBondContact O-N 2.9Å; F960-L964 WeakPolarHBondContact O-CB 3.45Å; F960-L964 PolarHBondContact O-N 3.4Å |
| 961 | K | 75.7 | Confident | 75.7 | Confident | 61 Ų | 61 | 90.3 Ų | 90.3 | 27% | 0.265 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58 | -44.7 | 175 | -77.1 | 165.7 | -166.5 | 164.2 | 0 | 111.5 | T889 E957 R958 L964 H965 | T889-K961 HydrophobicContact CG2-CD 4.36Å; T889-K961 HydrophobicContact CG2-CG 3.94Å; T889-K961 WeakPolarHBondContact OG1-CE 3.24Å; T889-K961 PolarHBondContact OG1-NZ 3.29Å; E957-K961 VanDerWaalsContact O-CD 3.31Å; E957-K961 WeakPolarHBondContact O-CD 3.4Å; E957-K961 WeakPolarHBondContact O-CG 3.37Å; E957-K961 PolarHBondContact O-N 3.25Å; E957-K961 IonicContact OE2-NZ 3.46Å; E957-K961 PolarHBondContact OE2-NZ 3.46Å; R958-K961 PolarHBondContact O-N 2.83Å; K961-L964 PolarHBondContact O-N 3.19Å; K961-H965 PolarHBondContact O-N 3.36Å; K961-H965 PolarHBondContact O-ND1 3.34Å |
| 962 | L | 83.8 | Confident | 77.2 | Confident | 110 Ų | 110 | 86.3 Ų | 86.3 | 58% | 0.576 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.7 | -47.2 | 179.1 | 179.7 | 62.6 | 0 | 0 | 0 | 111.5 | R958 S959 F960 L964 H965 L966 | R958-L962 PolarHBondContact O-N 2.75Å; S959-L962 PolarHBondContact O-N 2.86Å; F960-L962 VanDerWaalsContact C-N 3.33Å; F960-L962 PolarHBondContact O-N 3.42Å; L962-L964 VanDerWaalsContact C-N 3.28Å; L962-L964 PolarHBondContact O-N 3.39Å; L962-H965 PolarHBondContact O-N 3.1Å; L962-L966 HydrophobicContact CD1-CD1 4.44Å; L962-L966 HydrophobicContact CD1-CG 4.38Å; L962-L966 HydrophobicContact CG-CD1 4.12Å; L962-L966 HydrophobicContact CG-CG 4.48Å; L962-L966 WeakPolarHBondContact O-CG 3.17Å; L962-L966 PolarHBondContact O-N 3.06Å |
| 963 | L | 85 | Confident | 78.9 | Confident | 95 Ų | 95 | 85.6 Ų | 85.6 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58 | -41.8 | 177.7 | -180 | 62.4 | 0 | 0 | 0 | 111.8 | S959 F960 H965 L966 L967 | S959-L963 PolarHBondContact O-N 2.82Å; F960-L963 PolarHBondContact O-N 2.9Å; L963-H965 PolarHBondContact O-N 3.36Å; L963-L966 PolarHBondContact O-N 3.44Å; L963-L967 HydrophobicContact CD1-CD1 4.18Å; L963-L967 HydrophobicContact CD1-CG 4.23Å; L963-L967 HydrophobicContact CG-CD1 4.08Å; L963-L967 HydrophobicContact CG-CG 4.5Å; L963-L967 WeakPolarHBondContact O-CG 3.39Å; L963-L967 PolarHBondContact O-N 3.46Å |
| 964 | L | 85 | Confident | 80.9 | Confident | 19 Ų | 19 | 85.5 Ų | 85.5 | 10% | 0.099 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 178.4 | -165.1 | 65.1 | 0 | 0 | 0 | 112.3 | I893 W938 A941 F960 K961 L962 L967 A968 | I893-L964 HydrophobicContact CD1-CD2 4.04Å; I893-L964 HydrophobicContact CG1-CD2 4.04Å; W938-L964 HydrophobicContact CZ3-CD2 4.09Å; W938-L964 HydrophobicContact CZ3-CG 4.14Å; A941-L964 HydrophobicContact CB-CD1 3.51Å; A941-L964 HydrophobicContact CB-CD2 4.04Å; A941-L964 HydrophobicContact CB-CG 3.91Å; F960-L964 WeakPolarHBondContact O-CB 3.45Å; F960-L964 PolarHBondContact O-N 3.4Å; K961-L964 PolarHBondContact O-N 3.19Å; L962-L964 VanDerWaalsContact C-N 3.28Å; L962-L964 PolarHBondContact O-N 3.39Å; L964-L967 PolarHBondContact O-N 3.21Å; L964-A968 WeakPolarHBondContact O-CB 3.39Å; L964-A968 PolarHBondContact O-N 2.9Å |
| 965 | H | 88.6 | Confident | 83.2 | Confident | 59 Ų | 59 | 78.4 Ų | 78.4 | 27% | 0.273 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 175.7 | -72.9 | 76.1 | 0 | 0 | 0 | 111.4 | N896 W938 K961 L962 L963 L967 A968 Y969 | N896-H965 PolarHBondContact ND2-NE2 2.82Å; W938-H965 HydrophobicContact CH2-CB 4.43Å; W938-H965 AromaticContact CH2-CD2 3.55Å; W938-H965 AromaticContact CH2-CE1 3.76Å; W938-H965 AromaticContact CH2-CG 3.7Å; W938-H965 AromaticContact CH2-ND1 3.82Å; W938-H965 AromaticContact CH2-NE2 3.59Å; W938-H965 AromaticContact CZ2-CD2 3.64Å; K961-H965 PolarHBondContact O-N 3.36Å; K961-H965 PolarHBondContact O-ND1 3.34Å; L962-H965 PolarHBondContact O-N 3.1Å; L963-H965 PolarHBondContact O-N 3.36Å; H965-L967 VanDerWaalsContact C-N 3.33Å; H965-L967 PolarHBondContact O-N 3.06Å; H965-A968 PolarHBondContact O-N 3.26Å; H965-Y969 PolarHBondContact O-N 2.99Å |
| 966 | L | 90 | Very high | 85.3 | Confident | 108 Ų | 108 | 73.2 Ų | 73.2 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.8 | -40.2 | 177.4 | -71.8 | 174.8 | 0 | 0 | 0 | 111.8 | L962 L963 G970 | L962-L966 HydrophobicContact CD1-CD1 4.44Å; L962-L966 HydrophobicContact CD1-CG 4.38Å; L962-L966 HydrophobicContact CG-CD1 4.12Å; L962-L966 HydrophobicContact CG-CG 4.48Å; L962-L966 WeakPolarHBondContact O-CG 3.17Å; L962-L966 PolarHBondContact O-N 3.06Å; L963-L966 PolarHBondContact O-N 3.44Å; L966-G970 WeakPolarHBondContact O-CA 3.48Å; L966-G970 PolarHBondContact O-N 3.33Å |
| 967 | L | 90.8 | Very high | 87.5 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 48% | 0.482 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.1 | -45.6 | 176.4 | -69.4 | 174 | 0 | 0 | 0 | 111.8 | L963 L964 H965 Y969 V971 | L963-L967 HydrophobicContact CD1-CD1 4.18Å; L963-L967 HydrophobicContact CD1-CG 4.23Å; L963-L967 HydrophobicContact CG-CD1 4.08Å; L963-L967 HydrophobicContact CG-CG 4.5Å; L963-L967 WeakPolarHBondContact O-CG 3.39Å; L963-L967 PolarHBondContact O-N 3.46Å; L964-L967 PolarHBondContact O-N 3.21Å; H965-L967 VanDerWaalsContact C-N 3.33Å; H965-L967 PolarHBondContact O-N 3.06Å; L967-Y969 VanDerWaalsContact C-N 3.32Å; L967-Y969 PolarHBondContact O-N 3.23Å; L967-V971 HydrophobicContact CD2-CG2 4.37Å; L967-V971 WeakPolarHBondContact O-CB 3.46Å; L967-V971 PolarHBondContact O-N 3.36Å |
| 968 | A | 92 | Very high | 89 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.9 | -26 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C937 W938 L964 H965 P972 | C937-A968 HydrophobicContact CB-CB 4.16Å; W938-A968 HydrophobicContact CD2-CB 3.75Å; W938-A968 HydrophobicContact CE3-CB 4.19Å; W938-A968 HydrophobicContact CG-CB 4.13Å; W938-A968 HydrophobicContact CH2-CB 4.34Å; W938-A968 HydrophobicContact CZ2-CB 3.9Å; W938-A968 HydrophobicContact CZ3-CB 4.47Å; L964-A968 WeakPolarHBondContact O-CB 3.39Å; L964-A968 PolarHBondContact O-N 2.9Å; H965-A968 PolarHBondContact O-N 3.26Å; A968-P972 WeakPolarHBondContact O-CD 3.44Å; A968-P972 VanDerWaalsContact O-CG 3.29Å; A968-P972 WeakPolarHBondContact O-CG 3.33Å |
| 969 | Y | 96.4 | Very high | 90.3 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -105.4 | -33.6 | 173.2 | -71 | -62.5 | 0 | 0 | 0 | 113.3 | N896 F930 S934 W938 H965 L967 L973 | N896-Y969 PolarHBondContact OD1-OH 2.9Å; N896-Y969 VanDerWaalsContact OD1-OH 3.12Å; F930-Y969 HydrophobicContact CZ-CD1 4.08Å; S934-Y969 WeakPolarHBondContact OG-CD1 3.4Å; W938-Y969 AromaticContact CE2-CE2 3.75Å; W938-Y969 AromaticContact CE2-CZ 3.97Å; W938-Y969 HydrophobicContact CZ2-CD2 4.04Å; W938-Y969 AromaticContact CZ2-CE2 3.53Å; W938-Y969 HydrophobicContact CZ2-CE2 3.53Å; W938-Y969 AromaticContact NE1-CD2 3.98Å; W938-Y969 AromaticContact NE1-CE1 3.62Å; W938-Y969 AromaticContact NE1-CE2 3.36Å; W938-Y969 AromaticContact NE1-CZ 3.14Å; W938-Y969 PolarHBondContact NE1-OH 2.96Å; H965-Y969 PolarHBondContact O-N 2.99Å; L967-Y969 VanDerWaalsContact C-N 3.32Å; L967-Y969 PolarHBondContact O-N 3.23Å; Y969-L973 VanDerWaalsContact O-CB 3.3Å; Y969-L973 WeakPolarHBondContact O-CB 3.46Å; Y969-L973 PolarHBondContact O-N 2.89Å; Y969-L973 VanDerWaalsContact O-N 3.08Å |
| 970 | G | 95.9 | Very high | 91.2 | Very high | 31 Ų | 31 | 56.5 Ų | 56.5 | 32% | 0.32 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.6 | -42.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L966 L973 L974 | L966-G970 WeakPolarHBondContact O-CA 3.48Å; L966-G970 PolarHBondContact O-N 3.33Å; G970-L973 PolarHBondContact O-N 3.31Å; G970-L974 WeakPolarHBondContact O-CB 3.48Å; G970-L974 PolarHBondContact O-N 2.82Å |
| 971 | V | 95.8 | Very high | 91.9 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | L967 L973 L974 I975 | L967-V971 HydrophobicContact CD2-CG2 4.37Å; L967-V971 WeakPolarHBondContact O-CB 3.46Å; L967-V971 PolarHBondContact O-N 3.36Å; V971-L973 PolarHBondContact O-N 2.78Å; V971-L974 PolarHBondContact O-N 3.24Å; V971-I975 HydrophobicContact CG1-CD1 3.82Å; V971-I975 WeakPolarHBondContact O-CG1 3.29Å; V971-I975 PolarHBondContact O-N 2.93Å; V971-I975 VanDerWaalsContact O-N 3.1Å |
| 972 | P | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58 | -44.8 | 172.5 | -27.7 | 35.7 | 0 | 0 | 0 | 113.7 | F930 L933 C937 A968 L974 I975 V976 | F930-P972 HydrophobicContact CD2-CB 3.95Å; F930-P972 HydrophobicContact CE2-CB 4.07Å; L933-P972 HydrophobicContact CB-CB 4.06Å; L933-P972 HydrophobicContact CB-CG 4.46Å; L933-P972 HydrophobicContact CD2-CB 3.99Å; L933-P972 HydrophobicContact CG-CB 3.85Å; L933-P972 HydrophobicContact CG-CG 4.04Å; C937-P972 HydrophobicContact CB-CG 4.28Å; A968-P972 WeakPolarHBondContact O-CD 3.44Å; A968-P972 VanDerWaalsContact O-CG 3.29Å; A968-P972 WeakPolarHBondContact O-CG 3.33Å; P972-L974 VanDerWaalsContact C-N 3.3Å; P972-L974 PolarHBondContact O-N 3.44Å; P972-I975 PolarHBondContact O-N 3.3Å; P972-V976 WeakPolarHBondContact O-CB 3.35Å; P972-V976 VanDerWaalsContact O-CG2 3.29Å; P972-V976 WeakPolarHBondContact O-CG2 3.48Å; P972-V976 PolarHBondContact O-N 3.09Å |
| 973 | L | 96.6 | Very high | 92.9 | Very high | 104 Ų | 104 | 62.6 Ų | 62.6 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 179.8 | -176.6 | 62.8 | 0 | 0 | 0 | 111.4 | F930 Y969 G970 V971 S977 | F930-L973 HydrophobicContact CD2-CB 4.39Å; F930-L973 HydrophobicContact CE2-CB 3.87Å; F930-L973 HydrophobicContact CE2-CD1 4.32Å; Y969-L973 VanDerWaalsContact O-CB 3.3Å; Y969-L973 WeakPolarHBondContact O-CB 3.46Å; Y969-L973 PolarHBondContact O-N 2.89Å; Y969-L973 VanDerWaalsContact O-N 3.08Å; G970-L973 PolarHBondContact O-N 3.31Å; V971-L973 PolarHBondContact O-N 2.78Å; L973-S977 WeakPolarHBondContact O-CB 3.3Å; L973-S977 PolarHBondContact O-N 3.33Å |
| 974 | L | 97 | Very high | 93 | Very high | 118 Ų | 118 | 66.1 Ų | 66.1 | 62% | 0.618 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63 | -48.8 | 177.9 | -177.8 | 66.7 | 0 | 0 | 0 | 111.7 | G970 V971 P972 V976 S977 V978 | G970-L974 WeakPolarHBondContact O-CB 3.48Å; G970-L974 PolarHBondContact O-N 2.82Å; V971-L974 PolarHBondContact O-N 3.24Å; P972-L974 VanDerWaalsContact C-N 3.3Å; P972-L974 PolarHBondContact O-N 3.44Å; L974-V976 PolarHBondContact O-N 3.05Å; L974-S977 PolarHBondContact O-N 3.24Å; L974-V978 HydrophobicContact CD1-CG2 4.38Å; L974-V978 WeakPolarHBondContact O-CG2 3.45Å; L974-V978 PolarHBondContact O-N 3.37Å |
| 975 | I | 96.4 | Very high | 93 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 23% | 0.226 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | -179.1 | -67.7 | 166.7 | 0 | 0 | 0 | 110.9 | L933 V971 P972 S979 S1004 P1008 | L933-I975 HydrophobicContact CD2-CB 4.07Å; L933-I975 HydrophobicContact CD2-CD1 4.07Å; L933-I975 HydrophobicContact CD2-CG2 4.01Å; V971-I975 HydrophobicContact CG1-CD1 3.82Å; V971-I975 WeakPolarHBondContact O-CG1 3.29Å; V971-I975 PolarHBondContact O-N 2.93Å; V971-I975 VanDerWaalsContact O-N 3.1Å; P972-I975 PolarHBondContact O-N 3.3Å; I975-S979 WeakPolarHBondContact O-CB 3.44Å; I975-S979 PolarHBondContact O-N 3.25Å; I975-S979 PolarHBondContact O-OG 3.07Å; I975-S1004 WeakPolarHBondContact CG2-O 3.49Å; I975-P1008 HydrophobicContact CD1-CB 4.44Å; I975-P1008 HydrophobicContact CD1-CG 3.9Å |
| 976 | V | 96.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 179.3 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | V926 H929 F930 P972 L974 V978 S979 A980 | V926-V976 HydrophobicContact CG1-CG1 3.77Å; H929-V976 HydrophobicContact CB-CG2 4.22Å; F930-V976 HydrophobicContact CB-CG2 4.15Å; P972-V976 WeakPolarHBondContact O-CB 3.35Å; P972-V976 VanDerWaalsContact O-CG2 3.29Å; P972-V976 WeakPolarHBondContact O-CG2 3.48Å; P972-V976 PolarHBondContact O-N 3.09Å; L974-V976 PolarHBondContact O-N 3.05Å; V976-V978 PolarHBondContact O-N 3.07Å; V976-S979 WeakPolarHBondContact CA-OG 3.21Å; V976-S979 PolarHBondContact O-N 3.02Å; V976-S979 PolarHBondContact O-OG 3.25Å; V976-S979 VanDerWaalsContact O-OG 3.12Å; V976-A980 WeakPolarHBondContact O-CB 3.18Å; V976-A980 PolarHBondContact O-N 2.9Å |
| 977 | S | 94.7 | Very high | 92.8 | Very high | 68 Ų | 68 | 62.9 Ų | 62.9 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 177.5 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | L973 L974 S981 | L973-S977 WeakPolarHBondContact O-CB 3.3Å; L973-S977 PolarHBondContact O-N 3.33Å; L974-S977 PolarHBondContact O-N 3.24Å; S977-S981 VanDerWaalsContact O-CB 3.23Å; S977-S981 WeakPolarHBondContact O-CB 3.37Å; S977-S981 PolarHBondContact O-N 3.44Å; S977-S981 PolarHBondContact O-OG 2.94Å |
| 978 | V | 96 | Very high | 92.4 | Very high | 75 Ų | 75 | 59.3 Ų | 59.3 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.8 | -47.4 | 179.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | L974 V976 S981 L982 | L974-V978 HydrophobicContact CD1-CG2 4.38Å; L974-V978 WeakPolarHBondContact O-CG2 3.45Å; L974-V978 PolarHBondContact O-N 3.37Å; V976-V978 PolarHBondContact O-N 3.07Å; V978-S981 PolarHBondContact O-N 2.98Å; V978-L982 HydrophobicContact CG1-CD1 3.8Å; V978-L982 HydrophobicContact CG1-CG 4.43Å; V978-L982 WeakPolarHBondContact O-CB 3.39Å; V978-L982 WeakPolarHBondContact O-CG 3.5Å; V978-L982 PolarHBondContact O-N 3.44Å |
| 979 | S | 93.8 | Very high | 91.7 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | -179.5 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | I975 V976 R983 Y987 | I975-S979 WeakPolarHBondContact O-CB 3.44Å; I975-S979 PolarHBondContact O-N 3.25Å; I975-S979 PolarHBondContact O-OG 3.07Å; V976-S979 WeakPolarHBondContact CA-OG 3.21Å; V976-S979 PolarHBondContact O-N 3.02Å; V976-S979 PolarHBondContact O-OG 3.25Å; V976-S979 VanDerWaalsContact O-OG 3.12Å; S979-R983 PolarHBondContact O-N 3.47Å; S979-Y987 PolarHBondContact OG-OH 3.09Å |
| 980 | A | 92.4 | Very high | 90.6 | Very high | 14 Ų | 14 | 62 Ų | 62 | 12% | 0.116 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.4 | -33.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V926 V976 W984 Y987 | V926-A980 HydrophobicContact CG2-CB 4.38Å; V976-A980 WeakPolarHBondContact O-CB 3.18Å; V976-A980 PolarHBondContact O-N 2.9Å; A980-W984 WeakPolarHBondContact O-CA 3.49Å; A980-W984 VanDerWaalsContact O-CB 3.32Å; A980-W984 WeakPolarHBondContact O-CB 3.38Å; A980-W984 PolarHBondContact O-N 3.29Å; A980-Y987 HydrophobicContact CB-CD2 4.4Å; A980-Y987 HydrophobicContact CB-CE2 3.93Å |
| 981 | S | 91.9 | Very high | 89 | Confident | 79 Ų | 79 | 68.1 Ų | 68.1 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -73.8 | -35.7 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | S977 V978 W984 | S977-S981 VanDerWaalsContact O-CB 3.23Å; S977-S981 WeakPolarHBondContact O-CB 3.37Å; S977-S981 PolarHBondContact O-N 3.44Å; S977-S981 PolarHBondContact O-OG 2.94Å; V978-S981 PolarHBondContact O-N 2.98Å; S981-W984 WeakPolarHBondContact O-CZ3 3.23Å |
| 982 | L | 90.8 | Very high | 88.2 | Confident | 131 Ų | 131 | 68.1 Ų | 68.1 | 69% | 0.686 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -81.7 | -35.7 | 179.8 | -66.5 | 176 | 0 | 0 | 0 | 112.7 | V978 | V978-L982 HydrophobicContact CG1-CD1 3.8Å; V978-L982 HydrophobicContact CG1-CG 4.43Å; V978-L982 WeakPolarHBondContact O-CB 3.39Å; V978-L982 WeakPolarHBondContact O-CG 3.5Å; V978-L982 PolarHBondContact O-N 3.44Å |
| 983 | R | 89.4 | Confident | 87.7 | Confident | 127 Ų | 127 | 68.1 Ų | 68.1 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | trans | -140.6 | 62.5 | -173.9 | -67.5 | -169.3 | 168.6 | 126.6 | -2.8 | 112 | S979 S985 D986 S1000 T1001 | S979-R983 PolarHBondContact O-N 3.47Å; R983-S985 PolarHBondContact O-N 3.08Å; R983-D986 HydrophobicContact CB-CB 4.48Å; R983-D986 WeakPolarHBondContact CD-OD2 3.45Å; R983-D986 PolarHBondContact O-N 2.8Å; R983-S1000 PolarHBondContact NH1-OG 3.11Å; R983-T1001 VanDerWaalsContact CD-OG1 3.26Å; R983-T1001 WeakPolarHBondContact CD-OG1 3.2Å | ||
| 984 | W | 86.3 | Confident | 87.4 | Confident | 168 Ų | 168 | 64.9 Ų | 64.9 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -62.4 | -28.9 | 177.3 | 60.3 | 85.5 | 0 | 0 | 0 | 113 | F922 A980 S981 D986 Y987 | F922-W984 HydrophobicContact CE2-CB 3.86Å; F922-W984 HydrophobicContact CZ-CB 4.33Å; A980-W984 WeakPolarHBondContact O-CA 3.49Å; A980-W984 VanDerWaalsContact O-CB 3.32Å; A980-W984 WeakPolarHBondContact O-CB 3.38Å; A980-W984 PolarHBondContact O-N 3.29Å; S981-W984 WeakPolarHBondContact O-CZ3 3.23Å; W984-D986 PolarHBondContact O-N 3.23Å; W984-Y987 PolarHBondContact O-N 3.44Å |
| 985 | S | 85.2 | Confident | 86.9 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 61% | 0.608 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -63.7 | -21.7 | 179.3 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | R983 Y987 | R983-S985 PolarHBondContact O-N 3.08Å; S985-Y987 VanDerWaalsContact C-N 3.31Å |
| 986 | D | 86.5 | Confident | 86.1 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -87.3 | -5 | -177.4 | -62.8 | -4.4 | 0 | 0 | 0 | 112 | R983 W984 N996 T999 T1001 | R983-D986 HydrophobicContact CB-CB 4.48Å; R983-D986 WeakPolarHBondContact CD-OD2 3.45Å; R983-D986 PolarHBondContact O-N 2.8Å; W984-D986 PolarHBondContact O-N 3.23Å; D986-N996 PolarHBondContact O-N 2.77Å; D986-T999 HydrophobicContact CB-CG2 4.49Å; D986-T999 PolarHBondContact OD2-OG1 3.28Å; D986-T1001 HydrophobicContact CB-CG2 4.18Å; D986-T1001 WeakPolarHBondContact OD2-CB 3.46Å; D986-T1001 PolarHBondContact OD2-OG1 3.08Å |
| 987 | Y | 88.4 | Confident | 85 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -93.4 | 101.7 | 177.4 | -80.6 | -96.2 | 0 | 0 | 0 | 110.8 | F922 A925 V926 H929 S979 A980 W984 S985 I995 T1001 | F922-Y987 HydrophobicContact CE2-CG 4.29Å; A925-Y987 HydrophobicContact CB-CD1 4.05Å; V926-Y987 HydrophobicContact CB-CD1 4.37Å; V926-Y987 HydrophobicContact CB-CE1 4.48Å; V926-Y987 HydrophobicContact CG2-CD1 3.52Å; V926-Y987 HydrophobicContact CG2-CE1 3.87Å; V926-Y987 HydrophobicContact CG2-CG 4.02Å; H929-Y987 HydrophobicContact CB-CE1 4.22Å; H929-Y987 PolarHBondContact CE1-OH 3.49Å; H929-Y987 AromaticContact ND1-CE1 3.72Å; H929-Y987 AromaticContact ND1-CZ 3.68Å; H929-Y987 PolarHBondContact ND1-OH 3.3Å; S979-Y987 PolarHBondContact OG-OH 3.09Å; A980-Y987 HydrophobicContact CB-CD2 4.4Å; A980-Y987 HydrophobicContact CB-CE2 3.93Å; W984-Y987 PolarHBondContact O-N 3.44Å; S985-Y987 VanDerWaalsContact C-N 3.31Å; Y987-I995 HydrophobicContact CD1-CG1 4.24Å; Y987-I995 HydrophobicContact CE1-CD1 4.48Å; Y987-I995 HydrophobicContact CE1-CG1 3.97Å; Y987-T1001 HydrophobicContact CE2-CG2 4.19Å |
| 988 | G | 81.9 | Confident | 83.8 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | trans | 100.2 | 144 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W994 | G988-W994 VanDerWaalsContact CA-O 3.31Å; G988-W994 WeakPolarHBondContact CA-O 3.48Å; G988-W994 PolarHBondContact N-O 2.05Å | ||
| 989 | T | 77.7 | Confident | 83 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 17% | 0.172 | 34% | 0.337 | C | S | . | . | trans | -128.6 | 170.6 | 174.7 | 70 | 0 | 0 | 0 | 0 | 109.7 | Q991 Y992 N996 | T989-Q991 PolarHBondContact O-N 2.84Å; T989-Q991 PolarHBondContact OG1-N 3.46Å; T989-Y992 HydrophobicContact CG2-CD2 4.42Å; T989-Y992 HydrophobicContact CG2-CE2 3.86Å; T989-Y992 PolarHBondContact N-O 2.65Å; T989-Y992 PolarHBondContact OG1-N 3.3Å; T989-Y992 PolarHBondContact OG1-O 3.27Å; T989-N996 HydrophobicContact CG2-CB 3.98Å | ||
| 990 | A | 72.1 | Confident | 82.5 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 79% | 0.785 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -64.2 | -17.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 991 | Q | 63.1 | Low | 82.2 | Confident | 160 Ų | 160 | 63.9 Ų | 63.9 | 75% | 0.748 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -104.8 | -33.1 | -173.9 | -65.9 | -179.5 | -34.3 | 0 | 0 | 113.5 | T989 | T989-Q991 PolarHBondContact O-N 2.84Å; T989-Q991 PolarHBondContact OG1-N 3.46Å |
| 992 | Y | 79.3 | Confident | 81.9 | Confident | 66 Ų | 66 | 62.9 Ų | 62.9 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | trans | -154.2 | 150.7 | -178.6 | 53 | -95 | 0 | 0 | 0 | 112.8 | V912 T989 W994 | V912-Y992 WeakPolarHBondContact O-CA 3.34Å; T989-Y992 HydrophobicContact CG2-CD2 4.42Å; T989-Y992 HydrophobicContact CG2-CE2 3.86Å; T989-Y992 PolarHBondContact N-O 2.65Å; T989-Y992 PolarHBondContact OG1-N 3.3Å; T989-Y992 PolarHBondContact OG1-O 3.27Å; Y992-W994 HydrophobicContact CD2-CB 3.87Å; Y992-W994 HydrophobicContact CE2-CB 4.26Å; Y992-W994 PolarHBondContact O-N 2.91Å | ||
| 993 | C | 86 | Confident | 81.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -90.5 | 73.6 | 178.7 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | V912 C921 I924 | V912-C993 PolarHBondContact O-N 3.43Å; C921-C993 WeakPolarHBondContact CA-SG 3.36Å; C921-C993 HydrophobicContact CB-CB 4.05Å; C921-C993 WeakPolarHBondContact CB-SG 3.5Å; C921-C993 WeakPolarHBondContact SG-CA 3.27Å; C921-C993 WeakPolarHBondContact SG-CB 3.19Å; C921-C993 CovalentContact SG-SG 2.04Å; C921-C993 PolarHBondContact SG-SG 3.3Å; I924-C993 HydrophobicContact CB-CB 4.35Å; I924-C993 HydrophobicContact CG2-CB 4.03Å |
| 994 | W | 89.9 | Confident | 81.9 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -149.3 | 175.6 | 174.1 | -175.3 | -99.2 | 0 | 0 | 0 | 110.1 | L928 F932 G988 Y992 F1005 | L928-W994 HydrophobicContact CB-CE3 3.61Å; L928-W994 HydrophobicContact CB-CH2 4.43Å; L928-W994 HydrophobicContact CB-CZ3 3.39Å; L928-W994 HydrophobicContact CD1-CE3 3.81Å; L928-W994 HydrophobicContact CD1-CZ3 4.25Å; L928-W994 HydrophobicContact CD2-CZ3 4.35Å; L928-W994 HydrophobicContact CG-CE3 4.22Å; L928-W994 HydrophobicContact CG-CZ3 4.19Å; F932-W994 AromaticContact CD2-CH2 3.62Å; F932-W994 HydrophobicContact CD2-CH2 3.62Å; F932-W994 AromaticContact CD2-CZ3 3.54Å; F932-W994 HydrophobicContact CD2-CZ3 3.54Å; F932-W994 HydrophobicContact CE2-CH2 4.33Å; F932-W994 AromaticContact CE2-CZ3 3.84Å; F932-W994 HydrophobicContact CE2-CZ3 3.84Å; G988-W994 VanDerWaalsContact CA-O 3.31Å; G988-W994 WeakPolarHBondContact CA-O 3.48Å; G988-W994 PolarHBondContact N-O 2.05Å; Y992-W994 HydrophobicContact CD2-CB 3.87Å; Y992-W994 HydrophobicContact CE2-CB 4.26Å; Y992-W994 PolarHBondContact O-N 2.91Å; W994-F1005 HydrophobicContact CH2-CE2 4.46Å; W994-F1005 HydrophobicContact CH2-CZ 4.48Å; W994-F1005 HydrophobicContact CZ2-CD1 4.26Å; W994-F1005 HydrophobicContact CZ2-CD2 4.47Å; W994-F1005 HydrophobicContact CZ2-CE1 4.26Å; W994-F1005 HydrophobicContact CZ2-CE2 4.46Å; W994-F1005 HydrophobicContact CZ2-CG 4.35Å; W994-F1005 HydrophobicContact CZ2-CZ 4.34Å |
| 995 | I | 86.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -59.8 | 135.7 | 173.6 | -50 | 169.6 | 0 | 0 | 0 | 109.7 | H929 Y987 L997 T1001 F1005 | H929-I995 HydrophobicContact CB-CD1 4.01Å; H929-I995 HydrophobicContact CB-CG1 4.45Å; H929-I995 VanDerWaalsContact ND1-CD1 3.29Å; H929-I995 WeakPolarHBondContact ND1-CD1 3.45Å; Y987-I995 HydrophobicContact CD1-CG1 4.24Å; Y987-I995 HydrophobicContact CE1-CD1 4.48Å; Y987-I995 HydrophobicContact CE1-CG1 3.97Å; I995-L997 PolarHBondContact O-N 2.84Å; I995-T1001 HydrophobicContact CG2-CG2 3.85Å; I995-F1005 HydrophobicContact CD1-CB 4.12Å |
| 996 | N | 81 | Confident | 82.3 | Confident | 40 Ų | 40 | 49 Ų | 49 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | trans | -68.2 | 112.8 | 177.5 | -172.1 | -10.5 | 0 | 0 | 0 | 111.8 | D986 T989 S998 T999 | D986-N996 PolarHBondContact O-N 2.77Å; T989-N996 HydrophobicContact CG2-CB 3.98Å; N996-S998 PolarHBondContact ND2-OG 2.92Å; N996-S998 PolarHBondContact O-N 3.49Å; N996-S998 PolarHBondContact OD1-N 2.92Å; N996-S998 PolarHBondContact OD1-OG 3.21Å; N996-T999 HydrophobicContact CB-CG2 4.01Å; N996-T999 PolarHBondContact O-N 2.9Å; N996-T999 PolarHBondContact O-OG1 2.82Å | ||
| 997 | L | 71.5 | Confident | 82.5 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.5 | -179.2 | -66.2 | 170 | 0 | 0 | 0 | 113.8 | I995 T999 A1067 | I995-L997 PolarHBondContact O-N 2.84Å; L997-T999 VanDerWaalsContact C-N 3.27Å; L997-T999 PolarHBondContact O-N 2.97Å; L997-A1067 HydrophobicContact CD2-CB 4.44Å |
| 998 | S | 71.3 | Confident | 82.7 | Confident | 102 Ų | 102 | 50.4 Ų | 50.4 | 71% | 0.713 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -9.2 | 177 | 73.1 | 0 | 0 | 0 | 0 | 113.3 | N996 | N996-S998 PolarHBondContact ND2-OG 2.92Å; N996-S998 PolarHBondContact O-N 3.49Å; N996-S998 PolarHBondContact OD1-N 2.92Å; N996-S998 PolarHBondContact OD1-OG 3.21Å |
| 999 | T | 79.2 | Confident | 83 | Confident | 28 Ų | 28 | 49.6 Ų | 49.6 | 17% | 0.172 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -104.9 | 156.4 | -173.6 | 68.7 | 0 | 0 | 0 | 0 | 111.8 | D986 N996 L997 T1001 M1002 | D986-T999 HydrophobicContact CB-CG2 4.49Å; D986-T999 PolarHBondContact OD2-OG1 3.28Å; N996-T999 HydrophobicContact CB-CG2 4.01Å; N996-T999 PolarHBondContact O-N 2.9Å; N996-T999 PolarHBondContact O-OG1 2.82Å; L997-T999 VanDerWaalsContact C-N 3.27Å; L997-T999 PolarHBondContact O-N 2.97Å; T999-T1001 PolarHBondContact O-N 3.32Å; T999-M1002 WeakPolarHBondContact O-CG 3.38Å; T999-M1002 PolarHBondContact O-N 2.68Å; T999-M1002 VanDerWaalsContact O-N 3.14Å |
| 1000 | S | 82.4 | Confident | 83.5 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -60.1 | -15.9 | 175.1 | 62 | 0 | 0 | 0 | 0 | 113.8 | R983 M1002 W1003 | R983-S1000 PolarHBondContact NH1-OG 3.11Å; S1000-M1002 PolarHBondContact O-N 2.98Å; S1000-W1003 PolarHBondContact O-N 3.3Å |
| 1001 | T | 86.6 | Confident | 84.4 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -63.6 | -22.6 | 176.4 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | R983 D986 Y987 I995 T999 W1003 S1004 | R983-T1001 VanDerWaalsContact CD-OG1 3.26Å; R983-T1001 WeakPolarHBondContact CD-OG1 3.2Å; D986-T1001 HydrophobicContact CB-CG2 4.18Å; D986-T1001 WeakPolarHBondContact OD2-CB 3.46Å; D986-T1001 PolarHBondContact OD2-OG1 3.08Å; Y987-T1001 HydrophobicContact CE2-CG2 4.19Å; I995-T1001 HydrophobicContact CG2-CG2 3.85Å; T999-T1001 PolarHBondContact O-N 3.32Å; T1001-W1003 PolarHBondContact O-N 3.38Å; T1001-W1003 VanDerWaalsContact O-N 3.14Å; T1001-S1004 WeakPolarHBondContact O-CB 3.38Å; T1001-S1004 PolarHBondContact O-N 2.91Å; T1001-S1004 PolarHBondContact O-OG 2.82Å |
| 1002 | M | 84.6 | Confident | 85.6 | Confident | 58 Ų | 58 | 45.2 Ų | 45.2 | 29% | 0.286 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -54.9 | -33.3 | 174 | 74.6 | 178.5 | 176.4 | 0 | 0 | 113.1 | T999 S1000 S1004 F1005 V1006 | T999-M1002 WeakPolarHBondContact O-CG 3.38Å; T999-M1002 PolarHBondContact O-N 2.68Å; T999-M1002 VanDerWaalsContact O-N 3.14Å; S1000-M1002 PolarHBondContact O-N 2.98Å; M1002-S1004 PolarHBondContact O-N 2.83Å; M1002-F1005 PolarHBondContact O-N 2.83Å; M1002-F1005 VanDerWaalsContact O-N 3.12Å; M1002-V1006 WeakPolarHBondContact O-CG2 3.4Å; M1002-V1006 PolarHBondContact O-N 2.83Å |
| 1003 | W | 90.2 | Very high | 85.9 | Confident | 158 Ų | 158 | 43.3 Ų | 43.3 | 60% | 0.598 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -67.6 | -19.6 | -179.3 | -71 | 109.3 | 0 | 0 | 0 | 113.4 | S1000 T1001 F1005 V1006 G1007 | S1000-W1003 PolarHBondContact O-N 3.3Å; T1001-W1003 PolarHBondContact O-N 3.38Å; T1001-W1003 VanDerWaalsContact O-N 3.14Å; W1003-F1005 PolarHBondContact O-N 3.24Å; W1003-V1006 HydrophobicContact CE3-CB 4.2Å; W1003-V1006 HydrophobicContact CE3-CG1 3.96Å; W1003-V1006 HydrophobicContact CZ3-CG1 3.82Å; W1003-G1007 PolarHBondContact O-N 3.29Å |
| 1004 | S | 91 | Very high | 85.9 | Confident | 24 Ų | 24 | 46.1 Ų | 46.1 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -27.2 | 173.5 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | H929 I975 T1001 M1002 P1008 | H929-S1004 PolarHBondContact CE1-OG 3.29Å; H929-S1004 VanDerWaalsContact CE1-OG 3.27Å; I975-S1004 WeakPolarHBondContact CG2-O 3.49Å; T1001-S1004 WeakPolarHBondContact O-CB 3.38Å; T1001-S1004 PolarHBondContact O-N 2.91Å; T1001-S1004 PolarHBondContact O-OG 2.82Å; M1002-S1004 PolarHBondContact O-N 2.83Å; S1004-P1008 WeakPolarHBondContact O-CD 3.44Å; S1004-P1008 WeakPolarHBondContact O-CG 3.48Å |
| 1005 | F | 91.3 | Very high | 85.8 | Confident | 17 Ų | 17 | 47 Ų | 47 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -96.2 | -50.6 | 173.1 | 179.9 | -110.5 | 0 | 0 | 0 | 111.4 | H929 F932 F936 W994 I995 M1002 W1003 G1007 P1008 V1009 W1060 | H929-F1005 AromaticContact CD2-CD2 3.61Å; H929-F1005 AromaticContact NE2-CD2 3.92Å; F932-F1005 HydrophobicContact CB-CE2 3.97Å; F932-F1005 HydrophobicContact CB-CZ 4.21Å; F936-F1005 HydrophobicContact CE2-CE2 4.33Å; F936-F1005 AromaticContact CE2-CZ 3.95Å; F936-F1005 HydrophobicContact CE2-CZ 3.95Å; W994-F1005 HydrophobicContact CH2-CE2 4.46Å; W994-F1005 HydrophobicContact CH2-CZ 4.48Å; W994-F1005 HydrophobicContact CZ2-CD1 4.26Å; W994-F1005 HydrophobicContact CZ2-CD2 4.47Å; W994-F1005 HydrophobicContact CZ2-CE1 4.26Å; W994-F1005 HydrophobicContact CZ2-CE2 4.46Å; W994-F1005 HydrophobicContact CZ2-CG 4.35Å; W994-F1005 HydrophobicContact CZ2-CZ 4.34Å; I995-F1005 HydrophobicContact CD1-CB 4.12Å; M1002-F1005 PolarHBondContact O-N 2.83Å; M1002-F1005 VanDerWaalsContact O-N 3.12Å; W1003-F1005 PolarHBondContact O-N 3.24Å; F1005-G1007 PolarHBondContact O-N 3.26Å; F1005-P1008 WeakPolarHBondContact O-CD 3.47Å; F1005-V1009 HydrophobicContact CD1-CG2 4.5Å; F1005-V1009 HydrophobicContact CD2-CG2 4.28Å; F1005-V1009 HydrophobicContact CE1-CG2 4.23Å; F1005-V1009 HydrophobicContact CE2-CG2 4.01Å; F1005-V1009 HydrophobicContact CZ-CG2 3.99Å; F1005-V1009 VanDerWaalsContact O-CG2 3.23Å; F1005-V1009 WeakPolarHBondContact O-CG2 3.33Å; F1005-V1009 PolarHBondContact O-N 3Å; F1005-W1060 HydrophobicContact CE1-CZ3 4.22Å; F1005-W1060 HydrophobicContact CZ-CH2 4.4Å; F1005-W1060 HydrophobicContact CZ-CZ3 4.03Å |
| 1006 | V | 88.1 | Confident | 85.7 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | -173.7 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | M1002 W1003 V1009 V1010 L1064 | M1002-V1006 WeakPolarHBondContact O-CG2 3.4Å; M1002-V1006 PolarHBondContact O-N 2.83Å; W1003-V1006 HydrophobicContact CE3-CB 4.2Å; W1003-V1006 HydrophobicContact CE3-CG1 3.96Å; W1003-V1006 HydrophobicContact CZ3-CG1 3.82Å; V1006-V1009 PolarHBondContact O-N 3.45Å; V1006-V1010 HydrophobicContact CG1-CG2 4.18Å; V1006-V1010 WeakPolarHBondContact O-CG2 3.47Å; V1006-V1010 PolarHBondContact O-N 3.5Å; V1006-L1064 HydrophobicContact CB-CD2 4.12Å; V1006-L1064 HydrophobicContact CG1-CD2 3.66Å; V1006-L1064 HydrophobicContact CG2-CD2 3.68Å |
| 1007 | G | 90.6 | Very high | 85.8 | Confident | 31 Ų | 31 | 49.3 Ų | 49.3 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.7 | -56.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | W1003 F1005 V1009 V1010 L1011 | W1003-G1007 PolarHBondContact O-N 3.29Å; F1005-G1007 PolarHBondContact O-N 3.26Å; G1007-V1009 VanDerWaalsContact C-N 3.3Å; G1007-V1009 PolarHBondContact O-N 3.39Å; G1007-V1010 PolarHBondContact O-N 3.15Å; G1007-L1011 PolarHBondContact O-N 3.15Å; G1007-L1011 VanDerWaalsContact O-N 3.09Å |
| 1008 | P | 92.1 | Very high | 86.5 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 20% | 0.195 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.1 | -38.7 | 175.3 | -29.3 | 37 | 0 | 0 | 0 | 114 | L933 I975 S1004 F1005 L1011 V1012 | L933-P1008 HydrophobicContact CD1-CB 3.67Å; L933-P1008 HydrophobicContact CD1-CG 4.42Å; I975-P1008 HydrophobicContact CD1-CB 4.44Å; I975-P1008 HydrophobicContact CD1-CG 3.9Å; S1004-P1008 WeakPolarHBondContact O-CD 3.44Å; S1004-P1008 WeakPolarHBondContact O-CG 3.48Å; F1005-P1008 WeakPolarHBondContact O-CD 3.47Å; P1008-L1011 PolarHBondContact O-N 2.9Å; P1008-V1012 WeakPolarHBondContact O-CG2 3.42Å; P1008-V1012 PolarHBondContact O-N 2.83Å |
| 1009 | V | 88.7 | Confident | 87 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 178.1 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | F936 F1005 V1006 G1007 L1011 V1012 I1013 L1064 | F936-V1009 HydrophobicContact CD1-CG1 4.18Å; F936-V1009 HydrophobicContact CD1-CG2 4.28Å; F936-V1009 HydrophobicContact CD2-CG2 3.62Å; F936-V1009 HydrophobicContact CE1-CB 4.42Å; F936-V1009 HydrophobicContact CE1-CG1 3.58Å; F936-V1009 HydrophobicContact CE1-CG2 4.21Å; F936-V1009 HydrophobicContact CE2-CG1 4.17Å; F936-V1009 HydrophobicContact CE2-CG2 3.53Å; F936-V1009 HydrophobicContact CG-CG2 3.99Å; F936-V1009 HydrophobicContact CZ-CB 4.31Å; F936-V1009 HydrophobicContact CZ-CG1 3.53Å; F936-V1009 HydrophobicContact CZ-CG2 3.79Å; F1005-V1009 HydrophobicContact CD1-CG2 4.5Å; F1005-V1009 HydrophobicContact CD2-CG2 4.28Å; F1005-V1009 HydrophobicContact CE1-CG2 4.23Å; F1005-V1009 HydrophobicContact CE2-CG2 4.01Å; F1005-V1009 HydrophobicContact CZ-CG2 3.99Å; F1005-V1009 VanDerWaalsContact O-CG2 3.23Å; F1005-V1009 WeakPolarHBondContact O-CG2 3.33Å; F1005-V1009 PolarHBondContact O-N 3Å; V1006-V1009 PolarHBondContact O-N 3.45Å; G1007-V1009 VanDerWaalsContact C-N 3.3Å; G1007-V1009 PolarHBondContact O-N 3.39Å; V1009-L1011 VanDerWaalsContact C-N 3.3Å; V1009-L1011 PolarHBondContact O-N 2.8Å; V1009-V1012 PolarHBondContact O-N 3.04Å; V1009-I1013 HydrophobicContact CG1-CD1 3.71Å; V1009-I1013 HydrophobicContact CG1-CG1 4.39Å; V1009-I1013 VanDerWaalsContact O-CG1 3.31Å; V1009-I1013 WeakPolarHBondContact O-CG1 3.39Å; V1009-I1013 PolarHBondContact O-N 2.79Å; V1009-L1064 HydrophobicContact CG1-CD1 4.21Å |
| 1010 | V | 88.6 | Confident | 87 | Confident | 66 Ų | 66 | 46 Ų | 46 | 40% | 0.4 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 176.8 | 170.9 | 0 | 0 | 0 | 0 | 111 | V1006 G1007 S1014 L1064 | V1006-V1010 HydrophobicContact CG1-CG2 4.18Å; V1006-V1010 WeakPolarHBondContact O-CG2 3.47Å; V1006-V1010 PolarHBondContact O-N 3.5Å; G1007-V1010 PolarHBondContact O-N 3.15Å; V1010-S1014 WeakPolarHBondContact O-CB 3.36Å; V1010-S1014 PolarHBondContact O-N 2.78Å; V1010-S1014 PolarHBondContact O-OG 3.11Å; V1010-L1064 HydrophobicContact CG2-CD1 3.76Å |
| 1011 | L | 90.5 | Very high | 87 | Confident | 116 Ų | 116 | 49.9 Ų | 49.9 | 61% | 0.607 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.5 | -48.5 | 176.1 | -179.9 | 65.3 | 0 | 0 | 0 | 111.8 | G1007 P1008 V1009 S1014 V1015 | G1007-L1011 PolarHBondContact O-N 3.15Å; G1007-L1011 VanDerWaalsContact O-N 3.09Å; P1008-L1011 PolarHBondContact O-N 2.9Å; V1009-L1011 VanDerWaalsContact C-N 3.3Å; V1009-L1011 PolarHBondContact O-N 2.8Å; L1011-S1014 PolarHBondContact O-N 2.97Å; L1011-V1015 HydrophobicContact CD1-CG2 4.46Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.39Å; L1011-V1015 PolarHBondContact O-N 3.37Å |
| 1012 | V | 88.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 178.6 | 165.5 | 0 | 0 | 0 | 0 | 111.3 | F936 L940 P1008 V1009 S1014 V1015 N1016 | F936-V1012 HydrophobicContact CB-CG1 4.21Å; F936-V1012 HydrophobicContact CB-CG2 4.48Å; F936-V1012 HydrophobicContact CD1-CG1 4.21Å; F936-V1012 WeakPolarHBondContact O-CG1 3.36Å; L940-V1012 HydrophobicContact CB-CG1 4.08Å; L940-V1012 HydrophobicContact CB-CG2 4.33Å; L940-V1012 HydrophobicContact CD2-CG2 4.3Å; P1008-V1012 WeakPolarHBondContact O-CG2 3.42Å; P1008-V1012 PolarHBondContact O-N 2.83Å; V1009-V1012 PolarHBondContact O-N 3.04Å; V1012-S1014 VanDerWaalsContact C-N 3.32Å; V1012-S1014 PolarHBondContact O-N 2.61Å; V1012-V1015 PolarHBondContact O-N 3.03Å; V1012-N1016 WeakPolarHBondContact O-CB 3.35Å; V1012-N1016 PolarHBondContact O-N 3.11Å; V1012-N1016 PolarHBondContact O-ND2 3.45Å |
| 1013 | I | 85.2 | Confident | 86.4 | Confident | 27 Ų | 27 | 50.2 Ų | 50.2 | 14% | 0.138 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 178.5 | -68.1 | 171.7 | 0 | 0 | 0 | 110 | F936 V1009 V1015 N1016 V1017 W1060 | F936-I1013 HydrophobicContact CE1-CD1 4.4Å; F936-I1013 HydrophobicContact CE1-CG1 4.45Å; V1009-I1013 HydrophobicContact CG1-CD1 3.71Å; V1009-I1013 HydrophobicContact CG1-CG1 4.39Å; V1009-I1013 VanDerWaalsContact O-CG1 3.31Å; V1009-I1013 WeakPolarHBondContact O-CG1 3.39Å; V1009-I1013 PolarHBondContact O-N 2.79Å; I1013-V1015 PolarHBondContact O-N 3.42Å; I1013-N1016 PolarHBondContact O-N 3.37Å; I1013-V1017 HydrophobicContact CG2-CG2 4.34Å; I1013-V1017 VanDerWaalsContact O-CG2 3.3Å; I1013-V1017 WeakPolarHBondContact O-CG2 3.46Å; I1013-V1017 PolarHBondContact O-N 3.02Å; I1013-W1060 HydrophobicContact CD1-CB 4.27Å |
| 1014 | S | 86.4 | Confident | 85.8 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 179.9 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | V1010 L1011 V1012 N1016 V1017 I1018 | V1010-S1014 WeakPolarHBondContact O-CB 3.36Å; V1010-S1014 PolarHBondContact O-N 2.78Å; V1010-S1014 PolarHBondContact O-OG 3.11Å; L1011-S1014 PolarHBondContact O-N 2.97Å; V1012-S1014 VanDerWaalsContact C-N 3.32Å; V1012-S1014 PolarHBondContact O-N 2.61Å; S1014-N1016 PolarHBondContact O-N 2.86Å; S1014-V1017 PolarHBondContact O-N 3.1Å; S1014-I1018 WeakPolarHBondContact O-CG1 3.48Å; S1014-I1018 PolarHBondContact O-N 3.04Å; S1014-I1018 VanDerWaalsContact O-N 3.14Å |
| 1015 | V | 86.9 | Confident | 85.3 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 34% | 0.339 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 178.5 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | L940 L1011 V1012 I1013 V1017 I1018 V1019 | L940-V1015 HydrophobicContact CD1-CB 3.9Å; L940-V1015 HydrophobicContact CD1-CG1 3.58Å; L1011-V1015 HydrophobicContact CD1-CG2 4.46Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.39Å; L1011-V1015 PolarHBondContact O-N 3.37Å; V1012-V1015 PolarHBondContact O-N 3.03Å; I1013-V1015 PolarHBondContact O-N 3.42Å; V1015-V1017 PolarHBondContact O-N 3.13Å; V1015-I1018 WeakPolarHBondContact O-CB 3.28Å; V1015-I1018 PolarHBondContact O-N 3.47Å; V1015-V1019 HydrophobicContact CG1-CG2 4.48Å; V1015-V1019 WeakPolarHBondContact O-CG2 3.12Å; V1015-V1019 PolarHBondContact O-N 2.82Å |
| 1016 | N | 84.6 | Confident | 84.6 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.3 | -38 | 179.3 | -80.1 | -22.9 | 0 | 0 | 0 | 112.8 | V1012 I1013 S1014 I1018 V1019 L1020 L1053 | V1012-N1016 WeakPolarHBondContact O-CB 3.35Å; V1012-N1016 PolarHBondContact O-N 3.11Å; V1012-N1016 PolarHBondContact O-ND2 3.45Å; I1013-N1016 PolarHBondContact O-N 3.37Å; S1014-N1016 PolarHBondContact O-N 2.86Å; N1016-I1018 VanDerWaalsContact C-N 3.34Å; N1016-V1019 PolarHBondContact O-N 2.99Å; N1016-L1020 VanDerWaalsContact O-CB 3.3Å; N1016-L1020 WeakPolarHBondContact O-CB 3.34Å; N1016-L1020 PolarHBondContact O-N 2.82Å; N1016-L1053 HydrophobicContact CB-CD1 3.56Å; N1016-L1053 HydrophobicContact CB-CD2 3.9Å; N1016-L1053 HydrophobicContact CB-CG 3.84Å; N1016-L1053 VanDerWaalsContact CG-CD1 3.41Å; N1016-L1053 WeakPolarHBondContact ND2-CD1 3.38Å; N1016-L1053 WeakPolarHBondContact O-CD2 3.5Å |
| 1017 | V | 83.5 | Confident | 83.8 | Confident | 85 Ų | 85 | 54.9 Ų | 54.9 | 52% | 0.515 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 173.3 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | I1013 S1014 V1015 L1020 F1021 | I1013-V1017 HydrophobicContact CG2-CG2 4.34Å; I1013-V1017 VanDerWaalsContact O-CG2 3.3Å; I1013-V1017 WeakPolarHBondContact O-CG2 3.46Å; I1013-V1017 PolarHBondContact O-N 3.02Å; S1014-V1017 PolarHBondContact O-N 3.1Å; V1015-V1017 PolarHBondContact O-N 3.13Å; V1017-L1020 PolarHBondContact O-N 3.01Å; V1017-F1021 WeakPolarHBondContact O-CB 3.23Å; V1017-F1021 PolarHBondContact O-N 3.5Å |
| 1018 | I | 85.9 | Confident | 83 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 52% | 0.518 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63 | -47.9 | 176.4 | -65.9 | 164 | 0 | 0 | 0 | 110.6 | S1014 V1015 N1016 L1020 F1021 M1022 | S1014-I1018 WeakPolarHBondContact O-CG1 3.48Å; S1014-I1018 PolarHBondContact O-N 3.04Å; S1014-I1018 VanDerWaalsContact O-N 3.14Å; V1015-I1018 WeakPolarHBondContact O-CB 3.28Å; V1015-I1018 PolarHBondContact O-N 3.47Å; N1016-I1018 VanDerWaalsContact C-N 3.34Å; I1018-L1020 VanDerWaalsContact C-N 3.32Å; I1018-L1020 PolarHBondContact O-N 2.95Å; I1018-F1021 PolarHBondContact O-N 3.34Å; I1018-M1022 HydrophobicContact CG2-CE 4.31Å; I1018-M1022 WeakPolarHBondContact O-CG 3.41Å; I1018-M1022 PolarHBondContact O-N 2.77Å |
| 1019 | V | 81.9 | Confident | 82 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 176.8 | 166.8 | 0 | 0 | 0 | 0 | 111.3 | G943 L946 V1015 N1016 F1021 M1022 A1023 | G943-V1019 VanDerWaalsContact O-CG1 3.23Å; G943-V1019 WeakPolarHBondContact O-CG1 3.44Å; L946-V1019 HydrophobicContact CD2-CG1 4.43Å; V1015-V1019 HydrophobicContact CG1-CG2 4.48Å; V1015-V1019 WeakPolarHBondContact O-CG2 3.12Å; V1015-V1019 PolarHBondContact O-N 2.82Å; N1016-V1019 PolarHBondContact O-N 2.99Å; V1019-F1021 VanDerWaalsContact C-N 3.35Å; V1019-F1021 PolarHBondContact O-N 3.49Å; V1019-M1022 HydrophobicContact CG2-CE 4.26Å; V1019-M1022 PolarHBondContact O-N 3.27Å; V1019-A1023 WeakPolarHBondContact O-CB 3.21Å; V1019-A1023 PolarHBondContact O-N 3.35Å |
| 1020 | L | 79.5 | Confident | 81.1 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 177 | 174.9 | 64.5 | 0 | 0 | 0 | 111.5 | N1016 V1017 I1018 M1022 A1023 L1024 A1050 L1053 C1054 | N1016-L1020 VanDerWaalsContact O-CB 3.3Å; N1016-L1020 WeakPolarHBondContact O-CB 3.34Å; N1016-L1020 PolarHBondContact O-N 2.82Å; V1017-L1020 PolarHBondContact O-N 3.01Å; I1018-L1020 VanDerWaalsContact C-N 3.32Å; I1018-L1020 PolarHBondContact O-N 2.95Å; L1020-M1022 VanDerWaalsContact C-N 3.33Å; L1020-M1022 PolarHBondContact O-N 3.45Å; L1020-A1023 WeakPolarHBondContact O-CB 3.47Å; L1020-A1023 PolarHBondContact O-N 2.92Å; L1020-L1024 HydrophobicContact CD1-CD1 4.04Å; L1020-L1024 HydrophobicContact CD1-CG 4.03Å; L1020-L1024 HydrophobicContact CG-CD1 3.97Å; L1020-L1024 HydrophobicContact CG-CG 4.36Å; L1020-L1024 WeakPolarHBondContact O-CB 3.5Å; L1020-L1024 WeakPolarHBondContact O-CG 3.36Å; L1020-L1024 PolarHBondContact O-N 3.32Å; L1020-A1050 HydrophobicContact CD1-CB 3.37Å; L1020-L1053 HydrophobicContact CB-CD2 4.16Å; L1020-C1054 WeakPolarHBondContact CD2-SG 3.31Å |
| 1021 | F | 82.8 | Confident | 80 | Confident | 147 Ų | 147 | 64.3 Ų | 64.3 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 178.4 | -179.8 | -100.9 | 0 | 0 | 0 | 111.4 | V1017 I1018 V1019 A1023 L1024 R1025 | V1017-F1021 WeakPolarHBondContact O-CB 3.23Å; V1017-F1021 PolarHBondContact O-N 3.5Å; I1018-F1021 PolarHBondContact O-N 3.34Å; V1019-F1021 VanDerWaalsContact C-N 3.35Å; V1019-F1021 PolarHBondContact O-N 3.49Å; F1021-A1023 VanDerWaalsContact C-N 3.34Å; F1021-A1023 PolarHBondContact O-N 3.38Å; F1021-L1024 PolarHBondContact O-N 2.96Å; F1021-R1025 WeakPolarHBondContact O-CB 3.43Å; F1021-R1025 PolarHBondContact O-N 2.97Å |
| 1022 | M | 82.9 | Confident | 78.9 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 36% | 0.36 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 173.7 | -67.7 | -167.3 | -63.6 | 0 | 0 | 111.7 | Y947 I1018 V1019 L1020 R1025 T1026 | Y947-M1022 HydrophobicContact CD2-CE 3.72Å; Y947-M1022 HydrophobicContact CE2-CE 3.93Å; I1018-M1022 HydrophobicContact CG2-CE 4.31Å; I1018-M1022 WeakPolarHBondContact O-CG 3.41Å; I1018-M1022 PolarHBondContact O-N 2.77Å; V1019-M1022 HydrophobicContact CG2-CE 4.26Å; V1019-M1022 PolarHBondContact O-N 3.27Å; L1020-M1022 VanDerWaalsContact C-N 3.33Å; L1020-M1022 PolarHBondContact O-N 3.45Å; M1022-R1025 PolarHBondContact O-N 2.96Å; M1022-T1026 PolarHBondContact O-N 3.46Å; M1022-T1026 PolarHBondContact O-OG1 3.26Å |
| 1023 | A | 76 | Confident | 77.8 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L946 L950 V1019 L1020 F1021 T1026 V1027 L1046 | L946-A1023 HydrophobicContact CD1-CB 4.46Å; L946-A1023 HydrophobicContact CD2-CB 3.86Å; L946-A1023 HydrophobicContact CG-CB 4.16Å; L950-A1023 VanDerWaalsContact CD1-CA 3.43Å; L950-A1023 HydrophobicContact CD1-CB 3.4Å; L950-A1023 VanDerWaalsContact CD1-CB 3.4Å; V1019-A1023 WeakPolarHBondContact O-CB 3.21Å; V1019-A1023 PolarHBondContact O-N 3.35Å; L1020-A1023 WeakPolarHBondContact O-CB 3.47Å; L1020-A1023 PolarHBondContact O-N 2.92Å; F1021-A1023 VanDerWaalsContact C-N 3.34Å; F1021-A1023 PolarHBondContact O-N 3.38Å; A1023-T1026 PolarHBondContact O-N 2.93Å; A1023-V1027 PolarHBondContact O-N 2.73Å; A1023-L1046 HydrophobicContact CB-CD1 4.18Å |
| 1024 | L | 76.3 | Confident | 76.6 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 35% | 0.346 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 174.7 | -71.9 | 174.2 | 0 | 0 | 0 | 110.6 | L1020 F1021 T1026 V1027 F1028 | L1020-L1024 HydrophobicContact CD1-CD1 4.04Å; L1020-L1024 HydrophobicContact CD1-CG 4.03Å; L1020-L1024 HydrophobicContact CG-CD1 3.97Å; L1020-L1024 HydrophobicContact CG-CG 4.36Å; L1020-L1024 WeakPolarHBondContact O-CB 3.5Å; L1020-L1024 WeakPolarHBondContact O-CG 3.36Å; L1020-L1024 PolarHBondContact O-N 3.32Å; F1021-L1024 PolarHBondContact O-N 2.96Å; L1024-T1026 VanDerWaalsContact C-N 3.34Å; L1024-T1026 PolarHBondContact O-N 3.17Å; L1024-V1027 PolarHBondContact O-N 2.87Å; L1024-F1028 HydrophobicContact CB-CD2 4.21Å; L1024-F1028 HydrophobicContact CB-CE2 4.09Å; L1024-F1028 HydrophobicContact CD2-CE2 4.39Å; L1024-F1028 WeakPolarHBondContact O-CB 3.18Å; L1024-F1028 WeakPolarHBondContact O-CD2 3.44Å; L1024-F1028 PolarHBondContact O-N 2.99Å |
| 1025 | R | 81.2 | Confident | 75 | Confident | 185 Ų | 185 | 77.8 Ų | 77.8 | 70% | 0.698 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -55.9 | -48.5 | 176.4 | -174.3 | -163.3 | 178.3 | -164.4 | 1.2 | 111.4 | F1021 M1022 V1027 F1028 A1029 | F1021-R1025 WeakPolarHBondContact O-CB 3.43Å; F1021-R1025 PolarHBondContact O-N 2.97Å; M1022-R1025 PolarHBondContact O-N 2.96Å; R1025-V1027 VanDerWaalsContact C-N 3.32Å; R1025-V1027 PolarHBondContact O-N 3.43Å; R1025-F1028 PolarHBondContact O-N 3.43Å; R1025-A1029 WeakPolarHBondContact O-CB 3.38Å; R1025-A1029 PolarHBondContact O-N 3.01Å |
| 1026 | T | 75.7 | Confident | 73.4 | Confident | 52 Ų | 52 | 84.5 Ų | 84.5 | 32% | 0.319 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 179.6 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | L950 M1022 A1023 L1024 A1029 I1030 | L950-T1026 HydrophobicContact CD2-CG2 3.98Å; M1022-T1026 PolarHBondContact O-N 3.46Å; M1022-T1026 PolarHBondContact O-OG1 3.26Å; A1023-T1026 PolarHBondContact O-N 2.93Å; L1024-T1026 VanDerWaalsContact C-N 3.34Å; L1024-T1026 PolarHBondContact O-N 3.17Å; T1026-A1029 PolarHBondContact O-N 3.24Å; T1026-I1030 HydrophobicContact CG2-CD1 3.92Å; T1026-I1030 VanDerWaalsContact O-CG1 3.25Å; T1026-I1030 WeakPolarHBondContact O-CG1 3.45Å; T1026-I1030 PolarHBondContact O-N 3.45Å |
| 1027 | V | 71.6 | Confident | 71.8 | Confident | 17 Ų | 17 | 89.2 Ų | 89.2 | 10% | 0.103 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -74.1 | -36.1 | 177.5 | 162.6 | 0 | 0 | 0 | 0 | 113.8 | A1023 L1024 R1025 A1029 I1030 T1031 Y1043 L1046 | A1023-V1027 PolarHBondContact O-N 2.73Å; L1024-V1027 PolarHBondContact O-N 2.87Å; R1025-V1027 VanDerWaalsContact C-N 3.32Å; R1025-V1027 PolarHBondContact O-N 3.43Å; V1027-A1029 VanDerWaalsContact C-N 3.27Å; V1027-A1029 PolarHBondContact O-N 3.33Å; V1027-I1030 PolarHBondContact O-N 3.03Å; V1027-T1031 VanDerWaalsContact O-CB 3.28Å; V1027-T1031 WeakPolarHBondContact O-CB 3.33Å; V1027-T1031 PolarHBondContact O-N 3.28Å; V1027-T1031 PolarHBondContact O-OG1 3.15Å; V1027-Y1043 HydrophobicContact CG1-CD2 3.51Å; V1027-Y1043 HydrophobicContact CG1-CE2 3.59Å; V1027-L1046 HydrophobicContact CB-CD2 3.6Å; V1027-L1046 HydrophobicContact CG1-CD2 4.06Å; V1027-L1046 HydrophobicContact CG2-CD2 3.08Å; V1027-L1046 HydrophobicContact CG2-CG 4.47Å |
| 1028 | F | 73.2 | Confident | 70.2 | Confident | 129 Ų | 129 | 89.1 Ų | 89.1 | 57% | 0.566 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.4 | -40 | 170.5 | -76.9 | -62.2 | 0 | 0 | 0 | 111 | L1024 R1025 T1031 A1032 | L1024-F1028 HydrophobicContact CB-CD2 4.21Å; L1024-F1028 HydrophobicContact CB-CE2 4.09Å; L1024-F1028 HydrophobicContact CD2-CE2 4.39Å; L1024-F1028 WeakPolarHBondContact O-CB 3.18Å; L1024-F1028 WeakPolarHBondContact O-CD2 3.44Å; L1024-F1028 PolarHBondContact O-N 2.99Å; R1025-F1028 PolarHBondContact O-N 3.43Å; F1028-T1031 PolarHBondContact O-N 2.66Å; F1028-A1032 WeakPolarHBondContact O-CB 3.5Å; F1028-A1032 PolarHBondContact O-N 2.81Å |
| 1029 | A | 72.5 | Confident | 68.7 | Low | 62 Ų | 62 | 85.3 Ų | 85.3 | 51% | 0.512 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1025 T1026 V1027 A1032 A1033 | R1025-A1029 WeakPolarHBondContact O-CB 3.38Å; R1025-A1029 PolarHBondContact O-N 3.01Å; T1026-A1029 PolarHBondContact O-N 3.24Å; V1027-A1029 VanDerWaalsContact C-N 3.27Å; V1027-A1029 PolarHBondContact O-N 3.33Å; A1029-A1032 PolarHBondContact O-N 3.28Å; A1029-A1033 PolarHBondContact O-N 2.84Å |
| 1030 | I | 68.7 | Low | 67.3 | Low | 71 Ų | 71 | 88.7 Ų | 88.7 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.6 | -68.9 | 164.9 | 0 | 0 | 0 | 111.2 | T1026 V1027 A1032 A1033 Q1034 I1039 | T1026-I1030 HydrophobicContact CG2-CD1 3.92Å; T1026-I1030 VanDerWaalsContact O-CG1 3.25Å; T1026-I1030 WeakPolarHBondContact O-CG1 3.45Å; T1026-I1030 PolarHBondContact O-N 3.45Å; V1027-I1030 PolarHBondContact O-N 3.03Å; I1030-A1032 VanDerWaalsContact C-N 3.31Å; I1030-A1032 PolarHBondContact O-N 3.2Å; I1030-A1033 PolarHBondContact O-N 3.39Å; I1030-A1033 VanDerWaalsContact O-N 3.1Å; I1030-Q1034 PolarHBondContact O-N 3.38Å; I1030-Q1034 VanDerWaalsContact O-N 3.09Å; I1030-I1039 HydrophobicContact CG2-CD1 3.76Å; I1030-I1039 HydrophobicContact CG2-CG1 4.11Å |
| 1031 | T | 65.4 | Low | 66.2 | Low | 62 Ų | 62 | 90.7 Ų | 90.7 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -32.2 | -178.6 | -47.9 | 0 | 0 | 0 | 0 | 111.6 | V1027 F1028 A1033 | V1027-T1031 VanDerWaalsContact O-CB 3.28Å; V1027-T1031 WeakPolarHBondContact O-CB 3.33Å; V1027-T1031 PolarHBondContact O-N 3.28Å; V1027-T1031 PolarHBondContact O-OG1 3.15Å; F1028-T1031 PolarHBondContact O-N 2.66Å; T1031-A1033 VanDerWaalsContact C-N 3.33Å |
| 1032 | A | 67.1 | Low | 64.7 | Low | 93 Ų | 93 | 87.5 Ų | 87.5 | 77% | 0.769 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.9 | -29.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1028 A1029 I1030 | F1028-A1032 WeakPolarHBondContact O-CB 3.5Å; F1028-A1032 PolarHBondContact O-N 2.81Å; A1029-A1032 PolarHBondContact O-N 3.28Å; I1030-A1032 VanDerWaalsContact C-N 3.31Å; I1030-A1032 PolarHBondContact O-N 3.2Å |
| 1033 | A | 65.9 | Low | 63.7 | Low | 85 Ų | 85 | 88.9 Ų | 88.9 | 70% | 0.702 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -90.3 | -23.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | A1029 I1030 T1031 | A1029-A1033 PolarHBondContact O-N 2.84Å; I1030-A1033 PolarHBondContact O-N 3.39Å; I1030-A1033 VanDerWaalsContact O-N 3.1Å; T1031-A1033 VanDerWaalsContact C-N 3.33Å |
| 1034 | Q | 60.2 | Low | 62.9 | Low | 106 Ų | 106 | 90.4 Ų | 90.4 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -122 | 137.4 | -168.5 | -96.1 | -173.5 | -10.3 | 0 | 0 | 115.3 | I1030 K1036 I1039 | I1030-Q1034 PolarHBondContact O-N 3.38Å; I1030-Q1034 VanDerWaalsContact O-N 3.09Å; Q1034-K1036 PolarHBondContact O-N 2.91Å; Q1034-K1036 VanDerWaalsContact O-N 3.08Å; Q1034-I1039 HydrophobicContact CB-CD1 3.38Å; Q1034-I1039 HydrophobicContact CB-CG1 4.39Å; Q1034-I1039 HydrophobicContact CG-CD1 4.48Å |
| 1035 | K | 52.3 | Low | 62.1 | Low | 209 Ų | 209 | 90.4 Ų | 90.4 | 91% | 0.909 | 51% | 0.507 | S | S | * | . | trans | -67.7 | 97.1 | 173.4 | -110.7 | 174.5 | 177.6 | 173.8 | 0 | 111.4 | S1037 | K1035-S1037 VanDerWaalsContact C-N 3.29Å; K1035-S1037 PolarHBondContact O-N 3.3Å | ||
| 1036 | K | 53.2 | Low | 61.4 | Low | 196 Ų | 196 | 82.5 Ų | 82.5 | 85% | 0.852 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 33.6 | -24.7 | 155.7 | -115.7 | 176.9 | -176.8 | 177.6 | 0 | 123.6 | Q1034 | Q1034-K1036 PolarHBondContact O-N 2.91Å; Q1034-K1036 VanDerWaalsContact O-N 3.08Å |
| 1037 | S | 51.2 | Low | 61 | Low | 104 Ų | 104 | 85.7 Ų | 85.7 | 73% | 0.727 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -84.7 | -56.4 | -164.5 | -179.5 | 0 | 0 | 0 | 0 | 114.5 | K1035 S1040 | K1035-S1037 VanDerWaalsContact C-N 3.29Å; K1035-S1037 PolarHBondContact O-N 3.3Å; S1037-S1040 PolarHBondContact O-OG 3.48Å |
| 1038 | S | 50.4 | Low | 60.8 | Low | 82 Ų | 82 | 85 Ų | 85 | 57% | 0.573 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -82 | -17.7 | -176.9 | 64.8 | 0 | 0 | 0 | 0 | 114.3 | S1040 | S1038-S1040 VanDerWaalsContact C-N 3.33Å; S1038-S1040 PolarHBondContact O-N 3.38Å |
| 1039 | I | 54 | Low | 60.5 | Low | 22 Ų | 22 | 79.4 Ų | 79.4 | 11% | 0.113 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -70.2 | -28.9 | -179.1 | -76.4 | 172 | 0 | 0 | 0 | 112.2 | I1030 Q1034 A1041 T1042 Y1043 | I1030-I1039 HydrophobicContact CG2-CD1 3.76Å; I1030-I1039 HydrophobicContact CG2-CG1 4.11Å; Q1034-I1039 HydrophobicContact CB-CD1 3.38Å; Q1034-I1039 HydrophobicContact CB-CG1 4.39Å; Q1034-I1039 HydrophobicContact CG-CD1 4.48Å; I1039-A1041 PolarHBondContact O-N 2.91Å; I1039-T1042 PolarHBondContact O-N 3.07Å; I1039-Y1043 HydrophobicContact CG2-CD2 4.47Å; I1039-Y1043 WeakPolarHBondContact O-CB 3.49Å; I1039-Y1043 PolarHBondContact O-N 3.2Å |
| 1040 | S | 53.6 | Low | 60.4 | Low | 84 Ų | 84 | 76.9 Ų | 76.9 | 59% | 0.587 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57.5 | -42.7 | -170.3 | 60.9 | 0 | 0 | 0 | 0 | 114 | S1037 S1038 G1044 | S1037-S1040 PolarHBondContact O-OG 3.48Å; S1038-S1040 VanDerWaalsContact C-N 3.33Å; S1038-S1040 PolarHBondContact O-N 3.38Å; S1040-G1044 PolarHBondContact O-N 3.46Å |
| 1041 | A | 54.9 | Low | 60.5 | Low | 60 Ų | 60 | 76.9 Ų | 76.9 | 50% | 0.496 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.2 | -47.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1039 Y1043 G1044 W1045 | I1039-A1041 PolarHBondContact O-N 2.91Å; A1041-Y1043 VanDerWaalsContact C-N 3.31Å; A1041-Y1043 PolarHBondContact O-N 2.88Å; A1041-G1044 PolarHBondContact O-N 3.03Å; A1041-W1045 PolarHBondContact O-N 2.92Å |
| 1042 | T | 53.2 | Low | 60.8 | Low | 80 Ų | 80 | 74 Ų | 74 | 49% | 0.491 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.6 | -35.7 | 178.1 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | M949 I1039 W1045 L1046 | M949-T1042 HydrophobicContact CE-CG2 4.07Å; I1039-T1042 PolarHBondContact O-N 3.07Å; T1042-W1045 PolarHBondContact O-N 2.86Å; T1042-L1046 PolarHBondContact O-N 2.88Å |
| 1043 | Y | 59.9 | Low | 61 | Low | 101 Ų | 101 | 70 Ų | 70 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 175.4 | -170.7 | -93 | 0 | 0 | 0 | 112.1 | V1027 I1039 A1041 W1045 L1046 K1047 | V1027-Y1043 HydrophobicContact CG1-CD2 3.51Å; V1027-Y1043 HydrophobicContact CG1-CE2 3.59Å; I1039-Y1043 HydrophobicContact CG2-CD2 4.47Å; I1039-Y1043 WeakPolarHBondContact O-CB 3.49Å; I1039-Y1043 PolarHBondContact O-N 3.2Å; A1041-Y1043 VanDerWaalsContact C-N 3.31Å; A1041-Y1043 PolarHBondContact O-N 2.88Å; Y1043-W1045 VanDerWaalsContact C-N 3.34Å; Y1043-W1045 PolarHBondContact O-N 2.85Å; Y1043-L1046 PolarHBondContact O-N 3.42Å; Y1043-K1047 VanDerWaalsContact O-CB 3.23Å; Y1043-K1047 WeakPolarHBondContact O-CB 3.46Å; Y1043-K1047 PolarHBondContact O-N 3.15Å |
| 1044 | G | 60.2 | Low | 61.3 | Low | 33 Ų | 33 | 68.7 Ų | 68.7 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1040 A1041 G1048 | S1040-G1044 PolarHBondContact O-N 3.46Å; A1041-G1044 PolarHBondContact O-N 3.03Å; G1044-G1048 PolarHBondContact O-N 2.97Å; G1044-G1048 VanDerWaalsContact O-N 3.14Å |
| 1045 | W | 60 | Low | 61.9 | Low | 66 Ų | 66 | 64.8 Ų | 64.8 | 25% | 0.25 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.7 | -47.7 | 175.6 | -81.2 | 108.5 | 0 | 0 | 0 | 112.9 | A1041 T1042 Y1043 K1047 G1048 S1049 N1098 | A1041-W1045 PolarHBondContact O-N 2.92Å; T1042-W1045 PolarHBondContact O-N 2.86Å; Y1043-W1045 VanDerWaalsContact C-N 3.34Å; Y1043-W1045 PolarHBondContact O-N 2.85Å; W1045-K1047 VanDerWaalsContact C-N 3.29Å; W1045-K1047 PolarHBondContact O-N 3.37Å; W1045-G1048 PolarHBondContact O-N 2.9Å; W1045-S1049 PolarHBondContact O-N 3.3Å; W1045-N1098 HydrophobicContact CH2-CB 3.62Å; W1045-N1098 WeakPolarHBondContact CH2-ND2 3.07Å; W1045-N1098 HydrophobicContact CZ2-CB 3.92Å; W1045-N1098 VanDerWaalsContact CZ2-CG 3.46Å; W1045-N1098 WeakPolarHBondContact CZ2-OD1 3.26Å |
| 1046 | L | 66.3 | Low | 62.9 | Low | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.094 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 176.9 | 179.8 | 64.4 | 0 | 0 | 0 | 110.9 | L946 A1023 V1027 T1042 Y1043 G1048 S1049 A1050 | L946-L1046 HydrophobicContact CD1-CD1 3.17Å; L946-L1046 HydrophobicContact CD2-CD1 3.94Å; L946-L1046 HydrophobicContact CG-CD1 4.14Å; A1023-L1046 HydrophobicContact CB-CD1 4.18Å; V1027-L1046 HydrophobicContact CB-CD2 3.6Å; V1027-L1046 HydrophobicContact CG1-CD2 4.06Å; V1027-L1046 HydrophobicContact CG2-CD2 3.08Å; V1027-L1046 HydrophobicContact CG2-CG 4.47Å; T1042-L1046 PolarHBondContact O-N 2.88Å; Y1043-L1046 PolarHBondContact O-N 3.42Å; L1046-G1048 VanDerWaalsContact C-N 3.26Å; L1046-G1048 PolarHBondContact O-N 2.95Å; L1046-S1049 PolarHBondContact O-N 2.98Å; L1046-A1050 WeakPolarHBondContact O-CB 3.44Å; L1046-A1050 PolarHBondContact O-N 2.77Å |
| 1047 | K | 67 | Low | 63.9 | Low | 120 Ų | 120 | 46.3 Ų | 46.3 | 52% | 0.522 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.4 | -41.5 | 177.5 | -177.6 | 177.4 | 178.8 | 175.1 | 0 | 111.6 | Y1043 W1045 M1051 | Y1043-K1047 VanDerWaalsContact O-CB 3.23Å; Y1043-K1047 WeakPolarHBondContact O-CB 3.46Å; Y1043-K1047 PolarHBondContact O-N 3.15Å; W1045-K1047 VanDerWaalsContact C-N 3.29Å; W1045-K1047 PolarHBondContact O-N 3.37Å; K1047-M1051 WeakPolarHBondContact O-CB 3.24Å; K1047-M1051 PolarHBondContact O-N 3.36Å |
| 1048 | G | 67.1 | Low | 65.2 | Low | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -53.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1044 W1045 L1046 M1051 L1052 | G1044-G1048 PolarHBondContact O-N 2.97Å; G1044-G1048 VanDerWaalsContact O-N 3.14Å; W1045-G1048 PolarHBondContact O-N 2.9Å; L1046-G1048 VanDerWaalsContact C-N 3.26Å; L1046-G1048 PolarHBondContact O-N 2.95Å; G1048-M1051 PolarHBondContact O-N 3.34Å; G1048-L1052 WeakPolarHBondContact O-CB 3.47Å; G1048-L1052 PolarHBondContact O-N 2.92Å |
| 1049 | S | 68 | Low | 66.8 | Low | 11 Ų | 11 | 41.3 Ų | 41.3 | 8% | 0.077 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.1 | -38.7 | -179.8 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | W1045 L1046 M1051 L1052 L1053 H1094 | W1045-S1049 PolarHBondContact O-N 3.3Å; L1046-S1049 PolarHBondContact O-N 2.98Å; S1049-M1051 PolarHBondContact O-N 2.93Å; S1049-L1052 PolarHBondContact O-N 2.82Å; S1049-L1053 WeakPolarHBondContact O-CB 3.36Å; S1049-L1053 PolarHBondContact O-N 2.7Å; S1049-H1094 PolarHBondContact OG-NE2 3.43Å |
| 1050 | A | 70.2 | Confident | 68.1 | Low | 8 Ų | 8 | 41.6 Ų | 41.6 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1020 L1046 L1053 C1054 | L1020-A1050 HydrophobicContact CD1-CB 3.37Å; L1046-A1050 WeakPolarHBondContact O-CB 3.44Å; L1046-A1050 PolarHBondContact O-N 2.77Å; A1050-L1053 PolarHBondContact O-N 2.91Å; A1050-C1054 PolarHBondContact O-N 3.44Å; A1050-C1054 PolarHBondContact O-SG 2.75Å |
| 1051 | M | 69.5 | Low | 69.1 | Low | 71 Ų | 71 | 39.3 Ų | 39.3 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.3 | -36.9 | 179.7 | -170.9 | 168.8 | -173.7 | 0 | 0 | 111.8 | K1047 G1048 S1049 C1054 L1055 F1089 F1093 | K1047-M1051 WeakPolarHBondContact O-CB 3.24Å; K1047-M1051 PolarHBondContact O-N 3.36Å; G1048-M1051 PolarHBondContact O-N 3.34Å; S1049-M1051 PolarHBondContact O-N 2.93Å; M1051-C1054 PolarHBondContact O-N 3.45Å; M1051-L1055 HydrophobicContact CG-CD1 4.18Å; M1051-L1055 WeakPolarHBondContact O-CB 3.47Å; M1051-L1055 VanDerWaalsContact O-CG 3.31Å; M1051-L1055 WeakPolarHBondContact O-CG 3.32Å; M1051-L1055 PolarHBondContact O-N 3.2Å; M1051-F1089 HydrophobicContact CE-CD1 4.48Å; M1051-F1089 HydrophobicContact CE-CE1 3.34Å; M1051-F1089 HydrophobicContact CE-CZ 3.61Å; M1051-F1089 HydrophobicContact CG-CD1 4.45Å; M1051-F1089 HydrophobicContact CG-CE1 4.09Å; M1051-F1089 HydrophobicContact SD-CD1 4.36Å; M1051-F1089 HydrophobicContact SD-CE1 3.61Å; M1051-F1089 HydrophobicContact SD-CZ 4.46Å; M1051-F1093 HydrophobicContact SD-CE2 4.45Å; M1051-F1093 HydrophobicContact SD-CZ 4.17Å |
| 1052 | L | 71.8 | Confident | 70.3 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 174.6 | -175.8 | 60.7 | 0 | 0 | 0 | 111.8 | G1048 S1049 L1055 L1056 F1089 I1090 | G1048-L1052 WeakPolarHBondContact O-CB 3.47Å; G1048-L1052 PolarHBondContact O-N 2.92Å; S1049-L1052 PolarHBondContact O-N 2.82Å; L1052-L1055 PolarHBondContact O-N 2.98Å; L1052-L1056 HydrophobicContact CD1-CD1 4.26Å; L1052-L1056 PolarHBondContact O-N 3.37Å; L1052-F1089 HydrophobicContact CD1-CB 4.43Å; L1052-I1090 HydrophobicContact CD1-CD1 4.49Å; L1052-I1090 HydrophobicContact CD1-CG1 3.86Å; L1052-I1090 HydrophobicContact CD2-CG1 3.83Å |
| 1053 | L | 72.9 | Confident | 71.4 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.7 | -165 | 61.8 | 0 | 0 | 0 | 112 | M939 N1016 L1020 S1049 A1050 G1057 | M939-L1053 HydrophobicContact CG-CD1 3.53Å; M939-L1053 HydrophobicContact SD-CD1 3.83Å; N1016-L1053 HydrophobicContact CB-CD1 3.56Å; N1016-L1053 HydrophobicContact CB-CD2 3.9Å; N1016-L1053 HydrophobicContact CB-CG 3.84Å; N1016-L1053 VanDerWaalsContact CG-CD1 3.41Å; N1016-L1053 WeakPolarHBondContact ND2-CD1 3.38Å; N1016-L1053 WeakPolarHBondContact O-CD2 3.5Å; L1020-L1053 HydrophobicContact CB-CD2 4.16Å; S1049-L1053 WeakPolarHBondContact O-CB 3.36Å; S1049-L1053 PolarHBondContact O-N 2.7Å; A1050-L1053 PolarHBondContact O-N 2.91Å; L1053-G1057 PolarHBondContact O-N 2.83Å |
| 1054 | C | 72.5 | Confident | 71.9 | Confident | 57 Ų | 57 | 31.2 Ų | 31.2 | 39% | 0.385 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.3 | -46.9 | 171.9 | -74.7 | 0 | 0 | 0 | 0 | 111.8 | L1020 A1050 M1051 G1057 V1058 | L1020-C1054 WeakPolarHBondContact CD2-SG 3.31Å; A1050-C1054 PolarHBondContact O-N 3.44Å; A1050-C1054 PolarHBondContact O-SG 2.75Å; M1051-C1054 PolarHBondContact O-N 3.45Å; C1054-G1057 PolarHBondContact O-N 2.95Å; C1054-V1058 VanDerWaalsContact O-CB 3.29Å; C1054-V1058 WeakPolarHBondContact O-CB 3.29Å; C1054-V1058 WeakPolarHBondContact O-CG2 3.4Å; C1054-V1058 PolarHBondContact O-N 3.45Å |
| 1055 | L | 72 | Confident | 72.5 | Confident | 24 Ų | 24 | 34.4 Ų | 34.4 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | -176 | -80.2 | 167.4 | 0 | 0 | 0 | 111.3 | M1051 L1052 G1057 T1059 L1082 F1089 | M1051-L1055 HydrophobicContact CG-CD1 4.18Å; M1051-L1055 WeakPolarHBondContact O-CB 3.47Å; M1051-L1055 VanDerWaalsContact O-CG 3.31Å; M1051-L1055 WeakPolarHBondContact O-CG 3.32Å; M1051-L1055 PolarHBondContact O-N 3.2Å; L1052-L1055 PolarHBondContact O-N 2.98Å; L1055-G1057 PolarHBondContact O-N 3.18Å; L1055-T1059 VanDerWaalsContact O-CB 3.27Å; L1055-T1059 WeakPolarHBondContact O-CB 3.31Å; L1055-T1059 PolarHBondContact O-N 3.46Å; L1055-T1059 PolarHBondContact O-OG1 2.68Å; L1055-L1082 HydrophobicContact CD2-CD2 4.15Å; L1055-F1089 HydrophobicContact CD1-CB 4.29Å; L1055-F1089 HydrophobicContact CD1-CD1 3.53Å; L1055-F1089 HydrophobicContact CD1-CD2 3.57Å; L1055-F1089 HydrophobicContact CD1-CE1 3.67Å; L1055-F1089 HydrophobicContact CD1-CE2 3.67Å; L1055-F1089 HydrophobicContact CD1-CG 3.5Å; L1055-F1089 HydrophobicContact CD1-CZ 3.74Å |
| 1056 | L | 73.5 | Confident | 73 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.4 | -110.5 | 82.8 | 0 | 0 | 0 | 111.2 | L897 M939 L1052 V1058 T1059 W1060 Q1086 | L897-L1056 HydrophobicContact CD1-CD2 4.45Å; M939-L1056 HydrophobicContact CB-CD2 4.34Å; M939-L1056 HydrophobicContact CE-CB 3.67Å; M939-L1056 HydrophobicContact CE-CD2 3.2Å; M939-L1056 HydrophobicContact CE-CG 3.98Å; M939-L1056 HydrophobicContact CG-CD2 4.34Å; M939-L1056 HydrophobicContact SD-CB 3.36Å; M939-L1056 WeakPolarHBondContact SD-CB 3.4Å; M939-L1056 HydrophobicContact SD-CD2 3.68Å; M939-L1056 HydrophobicContact SD-CG 4.12Å; L1052-L1056 HydrophobicContact CD1-CD1 4.26Å; L1052-L1056 PolarHBondContact O-N 3.37Å; L1056-V1058 PolarHBondContact O-N 2.91Å; L1056-T1059 PolarHBondContact O-N 3.3Å; L1056-W1060 VanDerWaalsContact O-CD1 3.26Å; L1056-W1060 PolarHBondContact O-N 2.91Å; L1056-Q1086 HydrophobicContact CD1-CB 4.01Å; L1056-Q1086 HydrophobicContact CD1-CG 3.65Å |
| 1057 | G | 73.5 | Confident | 72.9 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 13% | 0.134 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1053 C1054 L1055 G1061 | L1053-G1057 PolarHBondContact O-N 2.83Å; C1054-G1057 PolarHBondContact O-N 2.95Å; L1055-G1057 PolarHBondContact O-N 3.18Å; G1057-G1061 PolarHBondContact O-N 3.36Å |
| 1058 | V | 78.7 | Confident | 72.8 | Confident | 82 Ų | 82 | 34.1 Ų | 34.1 | 50% | 0.497 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.7 | -42.7 | 177.8 | 173.9 | 0 | 0 | 0 | 0 | 111 | C1054 L1056 W1060 G1061 V1062 L1082 | C1054-V1058 VanDerWaalsContact O-CB 3.29Å; C1054-V1058 WeakPolarHBondContact O-CB 3.29Å; C1054-V1058 WeakPolarHBondContact O-CG2 3.4Å; C1054-V1058 PolarHBondContact O-N 3.45Å; L1056-V1058 PolarHBondContact O-N 2.91Å; V1058-W1060 VanDerWaalsContact C-N 3.31Å; V1058-W1060 PolarHBondContact O-N 3.17Å; V1058-G1061 PolarHBondContact O-N 2.95Å; V1058-V1062 HydrophobicContact CG1-CG2 4.47Å; V1058-V1062 WeakPolarHBondContact O-CG2 3.49Å; V1058-V1062 PolarHBondContact O-N 3.23Å; V1058-L1082 HydrophobicContact CG1-CD1 4.08Å |
| 1059 | T | 84.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.2 | -51.6 | 177.4 | -53.5 | 0 | 0 | 0 | 0 | 110 | L1055 L1056 V1062 G1063 F1079 L1082 N1083 Q1086 | L1055-T1059 VanDerWaalsContact O-CB 3.27Å; L1055-T1059 WeakPolarHBondContact O-CB 3.31Å; L1055-T1059 PolarHBondContact O-N 3.46Å; L1055-T1059 PolarHBondContact O-OG1 2.68Å; L1056-T1059 PolarHBondContact O-N 3.3Å; T1059-V1062 PolarHBondContact O-N 3.24Å; T1059-G1063 PolarHBondContact O-N 2.92Å; T1059-F1079 HydrophobicContact CG2-CD2 3.91Å; T1059-F1079 HydrophobicContact CG2-CE2 3.81Å; T1059-F1079 WeakPolarHBondContact O-CD2 3.36Å; T1059-F1079 WeakPolarHBondContact O-CE2 3.47Å; T1059-L1082 HydrophobicContact CG2-CB 3.86Å; T1059-L1082 WeakPolarHBondContact OG1-CB 3.46Å; T1059-N1083 HydrophobicContact CG2-CB 3.95Å; T1059-Q1086 VanDerWaalsContact CB-NE2 3.32Å; T1059-Q1086 PolarHBondContact OG1-NE2 3.26Å; T1059-Q1086 VanDerWaalsContact OG1-NE2 3.08Å |
| 1060 | W | 80.6 | Confident | 71.8 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 11% | 0.106 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -79.8 | -25.3 | -176.5 | -72.7 | 104.7 | 0 | 0 | 0 | 113.3 | F932 F936 F1005 I1013 L1056 V1058 V1062 G1063 L1064 F1079 | F932-W1060 HydrophobicContact CD1-CH2 4.19Å; F932-W1060 HydrophobicContact CD1-CZ2 4.02Å; F932-W1060 HydrophobicContact CD2-CH2 4.28Å; F932-W1060 HydrophobicContact CE1-CH2 4.49Å; F932-W1060 HydrophobicContact CE1-CZ2 4.34Å; F932-W1060 HydrophobicContact CG-CH2 4.11Å; F932-W1060 HydrophobicContact CG-CZ2 4.34Å; F936-W1060 HydrophobicContact CE1-CB 3.94Å; F936-W1060 AromaticContact CE1-CD1 3.8Å; F936-W1060 HydrophobicContact CE1-CD2 4.36Å; F936-W1060 AromaticContact CE1-CG 3.8Å; F936-W1060 HydrophobicContact CE1-CG 3.8Å; F936-W1060 AromaticContact CE2-CD2 3.9Å; F936-W1060 HydrophobicContact CE2-CD2 3.9Å; F936-W1060 AromaticContact CE2-CE2 3.89Å; F936-W1060 HydrophobicContact CE2-CE3 4.22Å; F936-W1060 HydrophobicContact CE2-CG 4.21Å; F936-W1060 HydrophobicContact CE2-CZ2 4.22Å; F936-W1060 HydrophobicContact CZ-CB 3.63Å; F936-W1060 AromaticContact CZ-CD1 3.46Å; F936-W1060 VanDerWaalsContact CZ-CD1 3.46Å; F936-W1060 AromaticContact CZ-CD2 3.34Å; F936-W1060 HydrophobicContact CZ-CD2 3.34Å; F936-W1060 AromaticContact CZ-CE2 3.66Å; F936-W1060 AromaticContact CZ-CE3 3.9Å; F936-W1060 HydrophobicContact CZ-CE3 3.9Å; F936-W1060 AromaticContact CZ-CG 3.22Å; F936-W1060 HydrophobicContact CZ-CG 3.22Å; F936-W1060 HydrophobicContact CZ-CZ2 4.43Å; F936-W1060 AromaticContact CZ-NE1 3.72Å; F1005-W1060 HydrophobicContact CE1-CZ3 4.22Å; F1005-W1060 HydrophobicContact CZ-CH2 4.4Å; F1005-W1060 HydrophobicContact CZ-CZ3 4.03Å; I1013-W1060 HydrophobicContact CD1-CB 4.27Å; L1056-W1060 VanDerWaalsContact O-CD1 3.26Å; L1056-W1060 PolarHBondContact O-N 2.91Å; V1058-W1060 VanDerWaalsContact C-N 3.31Å; V1058-W1060 PolarHBondContact O-N 3.17Å; W1060-V1062 VanDerWaalsContact C-N 3.34Å; W1060-G1063 CarbonylContact O-C 3.55Å; W1060-G1063 PolarHBondContact O-N 2.88Å; W1060-L1064 WeakPolarHBondContact O-CG 3.42Å; W1060-L1064 PolarHBondContact O-N 3.11Å; W1060-F1079 HydrophobicContact CE3-CE2 4.47Å |
| 1061 | G | 75.8 | Confident | 71 | Confident | 35 Ų | 35 | 46.8 Ų | 46.8 | 36% | 0.361 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1057 V1058 L1064 F1065 | G1057-G1061 PolarHBondContact O-N 3.36Å; V1058-G1061 PolarHBondContact O-N 2.95Å; G1061-L1064 PolarHBondContact O-N 3.28Å; G1061-F1065 PolarHBondContact O-N 2.93Å |
| 1062 | V | 79.8 | Confident | 70.3 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -42.2 | 171.5 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | V1058 T1059 W1060 L1064 F1065 I1066 L1075 V1078 F1079 L1082 | V1058-V1062 HydrophobicContact CG1-CG2 4.47Å; V1058-V1062 WeakPolarHBondContact O-CG2 3.49Å; V1058-V1062 PolarHBondContact O-N 3.23Å; T1059-V1062 PolarHBondContact O-N 3.24Å; W1060-V1062 VanDerWaalsContact C-N 3.34Å; V1062-L1064 PolarHBondContact O-N 2.8Å; V1062-F1065 WeakPolarHBondContact O-CB 3.39Å; V1062-F1065 PolarHBondContact O-N 2.98Å; V1062-F1065 VanDerWaalsContact O-N 3.16Å; V1062-I1066 HydrophobicContact CG1-CD1 4.12Å; V1062-I1066 WeakPolarHBondContact O-CG1 3.44Å; V1062-I1066 PolarHBondContact O-N 3.48Å; V1062-L1075 HydrophobicContact CG1-CB 4.19Å; V1062-L1075 HydrophobicContact CG1-CD2 4.2Å; V1062-V1078 HydrophobicContact CG1-CG1 4.44Å; V1062-F1079 HydrophobicContact CG1-CB 4.17Å; V1062-L1082 HydrophobicContact CG2-CD1 4.37Å |
| 1063 | G | 75.6 | Confident | 69.8 | Low | 16 Ų | 16 | 46.8 Ų | 46.8 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1059 W1060 F1065 I1066 A1067 | T1059-G1063 PolarHBondContact O-N 2.92Å; W1060-G1063 CarbonylContact O-C 3.55Å; W1060-G1063 PolarHBondContact O-N 2.88Å; G1063-F1065 VanDerWaalsContact C-N 3.35Å; G1063-I1066 PolarHBondContact O-N 2.82Å; G1063-A1067 PolarHBondContact O-N 3.18Å; G1063-A1067 VanDerWaalsContact O-N 3.09Å |
| 1064 | L | 70.9 | Confident | 69.7 | Low | 32 Ų | 32 | 52.7 Ų | 52.7 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 174 | -74 | 175.3 | 0 | 0 | 0 | 111.7 | V1006 V1009 V1010 W1060 G1061 V1062 A1067 V1068 | V1006-L1064 HydrophobicContact CB-CD2 4.12Å; V1006-L1064 HydrophobicContact CG1-CD2 3.66Å; V1006-L1064 HydrophobicContact CG2-CD2 3.68Å; V1009-L1064 HydrophobicContact CG1-CD1 4.21Å; V1010-L1064 HydrophobicContact CG2-CD1 3.76Å; W1060-L1064 WeakPolarHBondContact O-CG 3.42Å; W1060-L1064 PolarHBondContact O-N 3.11Å; G1061-L1064 PolarHBondContact O-N 3.28Å; V1062-L1064 PolarHBondContact O-N 2.8Å; L1064-A1067 WeakPolarHBondContact O-CB 3.25Å; L1064-A1067 PolarHBondContact O-N 3.45Å; L1064-V1068 WeakPolarHBondContact O-CG2 3.13Å; L1064-V1068 PolarHBondContact O-N 3.34Å; L1064-V1068 VanDerWaalsContact O-N 3.11Å |
| 1065 | F | 72.6 | Confident | 69.7 | Low | 100 Ų | 100 | 52.3 Ų | 52.3 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.5 | -165.2 | -84.2 | 0 | 0 | 0 | 111.7 | G1061 V1062 G1063 A1067 V1068 E1069 L1075 | G1061-F1065 PolarHBondContact O-N 2.93Å; V1062-F1065 WeakPolarHBondContact O-CB 3.39Å; V1062-F1065 PolarHBondContact O-N 2.98Å; V1062-F1065 VanDerWaalsContact O-N 3.16Å; G1063-F1065 VanDerWaalsContact C-N 3.35Å; F1065-A1067 VanDerWaalsContact C-N 3.28Å; F1065-A1067 PolarHBondContact O-N 3.03Å; F1065-V1068 PolarHBondContact O-N 3.06Å; F1065-E1069 HydrophobicContact CD1-CB 4.43Å; F1065-E1069 HydrophobicContact CE1-CB 4.07Å; F1065-E1069 HydrophobicContact CE1-CG 4.44Å; F1065-E1069 VanDerWaalsContact CE1-OE2 3.29Å; F1065-E1069 WeakPolarHBondContact CE1-OE2 3.29Å; F1065-E1069 VanDerWaalsContact CZ-OE2 3.23Å; F1065-E1069 WeakPolarHBondContact CZ-OE2 3.27Å; F1065-E1069 PolarHBondContact O-N 2.96Å; F1065-L1075 HydrophobicContact CD1-CD1 3.26Å; F1065-L1075 HydrophobicContact CE1-CD1 3.6Å; F1065-L1075 HydrophobicContact CG-CD1 4.31Å |
| 1066 | I | 69.8 | Low | 69.7 | Low | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.185 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 174.2 | -64.4 | 162.8 | 0 | 0 | 0 | 111.4 | V1062 G1063 V1068 E1069 P1070 L1075 F1079 | V1062-I1066 HydrophobicContact CG1-CD1 4.12Å; V1062-I1066 WeakPolarHBondContact O-CG1 3.44Å; V1062-I1066 PolarHBondContact O-N 3.48Å; G1063-I1066 PolarHBondContact O-N 2.82Å; I1066-V1068 VanDerWaalsContact C-N 3.3Å; I1066-V1068 PolarHBondContact O-N 2.8Å; I1066-E1069 CarbonylContact O-C 3.6Å; I1066-E1069 VanDerWaalsContact O-C 3.25Å; I1066-P1070 WeakPolarHBondContact O-CA 3.29Å; I1066-L1075 HydrophobicContact CD1-CB 4.04Å; I1066-L1075 HydrophobicContact CG1-CB 3.71Å; I1066-F1079 HydrophobicContact CD1-CB 3.79Å; I1066-F1079 HydrophobicContact CD1-CG 4.26Å |
| 1067 | A | 64.4 | Low | 69.9 | Low | 44 Ų | 44 | 55.1 Ų | 55.1 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.4 | -30.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L997 G1063 L1064 F1065 | L997-A1067 HydrophobicContact CD2-CB 4.44Å; G1063-A1067 PolarHBondContact O-N 3.18Å; G1063-A1067 VanDerWaalsContact O-N 3.09Å; L1064-A1067 WeakPolarHBondContact O-CB 3.25Å; L1064-A1067 PolarHBondContact O-N 3.45Å; F1065-A1067 VanDerWaalsContact C-N 3.28Å; F1065-A1067 PolarHBondContact O-N 3.03Å |
| 1068 | V | 64.7 | Low | 70.3 | Confident | 118 Ų | 118 | 57.3 Ų | 57.3 | 72% | 0.715 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -84.5 | -41.2 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | L1064 F1065 I1066 | L1064-V1068 WeakPolarHBondContact O-CG2 3.13Å; L1064-V1068 PolarHBondContact O-N 3.34Å; L1064-V1068 VanDerWaalsContact O-N 3.11Å; F1065-V1068 PolarHBondContact O-N 3.06Å; I1066-V1068 VanDerWaalsContact C-N 3.3Å; I1066-V1068 PolarHBondContact O-N 2.8Å |
| 1069 | E | 59.3 | Low | 70.5 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | trans | -121.7 | 90.3 | 178.1 | -71.1 | -176 | -170.4 | 0 | 0 | 110.5 | F1065 I1066 T1071 | F1065-E1069 HydrophobicContact CD1-CB 4.43Å; F1065-E1069 HydrophobicContact CE1-CB 4.07Å; F1065-E1069 HydrophobicContact CE1-CG 4.44Å; F1065-E1069 VanDerWaalsContact CE1-OE2 3.29Å; F1065-E1069 WeakPolarHBondContact CE1-OE2 3.29Å; F1065-E1069 VanDerWaalsContact CZ-OE2 3.23Å; F1065-E1069 WeakPolarHBondContact CZ-OE2 3.27Å; F1065-E1069 PolarHBondContact O-N 2.96Å; I1066-E1069 CarbonylContact O-C 3.6Å; I1066-E1069 VanDerWaalsContact O-C 3.25Å; E1069-T1071 PolarHBondContact O-N 2.88Å | ||
| 1070 | P | 54.6 | Low | 70.3 | Confident | 96 Ų | 96 | 56.8 Ų | 56.8 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9 | -177.8 | -21.4 | 31.5 | 0 | 0 | 0 | 114.7 | I1066 G1072 | I1066-P1070 WeakPolarHBondContact O-CA 3.29Å; P1070-G1072 PolarHBondContact O-N 3.21Å |
| 1071 | T | 53.5 | Low | 70.4 | Confident | 94 Ų | 94 | 59.6 Ų | 59.6 | 58% | 0.577 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -4 | -168.4 | 47.9 | 0 | 0 | 0 | 0 | 114.8 | K846 E1069 S1073 | K846-T1071 HydrophobicContact CD-CG2 4.31Å; E1069-T1071 PolarHBondContact O-N 2.88Å; T1071-S1073 PolarHBondContact O-N 3.41Å |
| 1072 | G | 55.7 | Low | 70.8 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | trans | -87.8 | 81.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1070 I1074 L1075 S1076 | P1070-G1072 PolarHBondContact O-N 3.21Å; G1072-I1074 PolarHBondContact O-N 3.19Å; G1072-L1075 WeakPolarHBondContact O-CB 3.28Å; G1072-L1075 PolarHBondContact O-N 3.43Å; G1072-S1076 PolarHBondContact O-N 2.98Å | ||
| 1073 | S | 60.3 | Low | 70.9 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.6 | -38.4 | 176.4 | -48.4 | 0 | 0 | 0 | 0 | 112.7 | M850 T1071 L1075 S1076 Y1077 | M850-S1073 VanDerWaalsContact CE-CB 3.45Å; M850-S1073 WeakPolarHBondContact CE-OG 3.46Å; T1071-S1073 PolarHBondContact O-N 3.41Å; S1073-L1075 VanDerWaalsContact C-N 3.33Å; S1073-L1075 PolarHBondContact O-N 3.12Å; S1073-S1076 WeakPolarHBondContact O-CB 3.47Å; S1073-S1076 PolarHBondContact O-N 3.34Å; S1073-Y1077 WeakPolarHBondContact O-CD2 3.31Å; S1073-Y1077 PolarHBondContact O-N 2.93Å |
| 1074 | I | 72.2 | Confident | 71.3 | Confident | 133 Ų | 133 | 59.2 Ų | 59.2 | 68% | 0.682 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.7 | -39.1 | 177.6 | -61.2 | 173.3 | 0 | 0 | 0 | 111.3 | G1072 S1076 Y1077 V1078 | G1072-I1074 PolarHBondContact O-N 3.19Å; I1074-S1076 VanDerWaalsContact C-N 3.28Å; I1074-S1076 PolarHBondContact O-N 3.05Å; I1074-Y1077 PolarHBondContact O-N 3.22Å; I1074-V1078 HydrophobicContact CG2-CG2 4.42Å; I1074-V1078 WeakPolarHBondContact O-CG2 3.37Å; I1074-V1078 PolarHBondContact O-N 2.94Å |
| 1075 | L | 72.7 | Confident | 72 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.1 | -33.5 | -179.4 | -66.7 | 174.7 | 0 | 0 | 0 | 111.7 | V1062 F1065 I1066 G1072 S1073 Y1077 V1078 F1079 | V1062-L1075 HydrophobicContact CG1-CB 4.19Å; V1062-L1075 HydrophobicContact CG1-CD2 4.2Å; F1065-L1075 HydrophobicContact CD1-CD1 3.26Å; F1065-L1075 HydrophobicContact CE1-CD1 3.6Å; F1065-L1075 HydrophobicContact CG-CD1 4.31Å; I1066-L1075 HydrophobicContact CD1-CB 4.04Å; I1066-L1075 HydrophobicContact CG1-CB 3.71Å; G1072-L1075 WeakPolarHBondContact O-CB 3.28Å; G1072-L1075 PolarHBondContact O-N 3.43Å; S1073-L1075 VanDerWaalsContact C-N 3.33Å; S1073-L1075 PolarHBondContact O-N 3.12Å; L1075-Y1077 PolarHBondContact O-N 2.9Å; L1075-V1078 PolarHBondContact O-N 3.23Å; L1075-F1079 WeakPolarHBondContact O-CB 3.47Å; L1075-F1079 PolarHBondContact O-N 2.93Å |
| 1076 | S | 72.3 | Confident | 72.6 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 174.5 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | G1072 S1073 I1074 F1079 I1080 | G1072-S1076 PolarHBondContact O-N 2.98Å; S1073-S1076 WeakPolarHBondContact O-CB 3.47Å; S1073-S1076 PolarHBondContact O-N 3.34Å; I1074-S1076 VanDerWaalsContact C-N 3.28Å; I1074-S1076 PolarHBondContact O-N 3.05Å; S1076-F1079 WeakPolarHBondContact O-CB 3.07Å; S1076-F1079 PolarHBondContact O-N 3.42Å; S1076-I1080 WeakPolarHBondContact O-CD1 3.42Å; S1076-I1080 VanDerWaalsContact O-CG1 3.3Å; S1076-I1080 WeakPolarHBondContact O-CG1 3.46Å; S1076-I1080 PolarHBondContact O-N 3.17Å |
| 1077 | Y | 77.7 | Confident | 73.4 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.4 | -68.2 | -69.7 | 0 | 0 | 0 | 112.4 | T854 M858 S1073 I1074 L1075 F1079 I1080 V1081 | T854-Y1077 WeakPolarHBondContact CG2-OH 3.19Å; M858-Y1077 HydrophobicContact CB-CE1 4.06Å; M858-Y1077 HydrophobicContact CG-CE1 4.19Å; S1073-Y1077 WeakPolarHBondContact O-CD2 3.31Å; S1073-Y1077 PolarHBondContact O-N 2.93Å; I1074-Y1077 PolarHBondContact O-N 3.22Å; L1075-Y1077 PolarHBondContact O-N 2.9Å; Y1077-F1079 VanDerWaalsContact C-N 3.29Å; Y1077-F1079 PolarHBondContact O-N 3.24Å; Y1077-I1080 PolarHBondContact O-N 3.17Å; Y1077-V1081 WeakPolarHBondContact O-CG2 3.37Å; Y1077-V1081 PolarHBondContact O-N 2.91Å; Y1077-V1081 VanDerWaalsContact O-N 3.09Å |
| 1078 | V | 80.9 | Confident | 74.5 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 35% | 0.352 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | V1062 I1074 L1075 V1081 L1082 | V1062-V1078 HydrophobicContact CG1-CG1 4.44Å; I1074-V1078 HydrophobicContact CG2-CG2 4.42Å; I1074-V1078 WeakPolarHBondContact O-CG2 3.37Å; I1074-V1078 PolarHBondContact O-N 2.94Å; L1075-V1078 PolarHBondContact O-N 3.23Å; V1078-V1081 PolarHBondContact O-N 3.39Å; V1078-L1082 HydrophobicContact CG1-CD1 3.65Å; V1078-L1082 HydrophobicContact CG1-CG 4.13Å; V1078-L1082 WeakPolarHBondContact O-CB 3.08Å; V1078-L1082 WeakPolarHBondContact O-CG 3.34Å; V1078-L1082 PolarHBondContact O-N 3.49Å |
| 1079 | F | 83.7 | Confident | 75.4 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 21% | 0.211 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 177.5 | -179.4 | -102.2 | 0 | 0 | 0 | 112 | T1059 W1060 V1062 I1066 L1075 S1076 Y1077 V1081 L1082 N1083 | T1059-F1079 HydrophobicContact CG2-CD2 3.91Å; T1059-F1079 HydrophobicContact CG2-CE2 3.81Å; T1059-F1079 WeakPolarHBondContact O-CD2 3.36Å; T1059-F1079 WeakPolarHBondContact O-CE2 3.47Å; W1060-F1079 HydrophobicContact CE3-CE2 4.47Å; V1062-F1079 HydrophobicContact CG1-CB 4.17Å; I1066-F1079 HydrophobicContact CD1-CB 3.79Å; I1066-F1079 HydrophobicContact CD1-CG 4.26Å; L1075-F1079 WeakPolarHBondContact O-CB 3.47Å; L1075-F1079 PolarHBondContact O-N 2.93Å; S1076-F1079 WeakPolarHBondContact O-CB 3.07Å; S1076-F1079 PolarHBondContact O-N 3.42Å; Y1077-F1079 VanDerWaalsContact C-N 3.29Å; Y1077-F1079 PolarHBondContact O-N 3.24Å; F1079-V1081 PolarHBondContact O-N 3.28Å; F1079-L1082 PolarHBondContact O-N 3.42Å; F1079-N1083 WeakPolarHBondContact CZ-ND2 3.35Å; F1079-N1083 WeakPolarHBondContact O-CB 3.5Å; F1079-N1083 PolarHBondContact O-N 3.2Å |
| 1080 | I | 79.5 | Confident | 76.6 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 179.1 | -67.9 | 159.2 | 0 | 0 | 0 | 110.9 | M858 S862 A865 S1076 Y1077 N1083 A1084 | M858-I1080 HydrophobicContact CG-CD1 3.82Å; S862-I1080 WeakPolarHBondContact OG-CD1 3.35Å; A865-I1080 HydrophobicContact CB-CG2 3.77Å; S1076-I1080 WeakPolarHBondContact O-CD1 3.42Å; S1076-I1080 VanDerWaalsContact O-CG1 3.3Å; S1076-I1080 WeakPolarHBondContact O-CG1 3.46Å; S1076-I1080 PolarHBondContact O-N 3.17Å; Y1077-I1080 PolarHBondContact O-N 3.17Å; I1080-N1083 PolarHBondContact O-N 3.25Å; I1080-A1084 WeakPolarHBondContact O-CB 3.16Å; I1080-A1084 PolarHBondContact O-N 3.45Å |
| 1081 | V | 82.3 | Confident | 78.1 | Confident | 86 Ų | 86 | 41.7 Ų | 41.7 | 52% | 0.521 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.2 | -45.3 | -179.1 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | Y1077 V1078 F1079 N1083 A1084 S1085 | Y1077-V1081 WeakPolarHBondContact O-CG2 3.37Å; Y1077-V1081 PolarHBondContact O-N 2.91Å; Y1077-V1081 VanDerWaalsContact O-N 3.09Å; V1078-V1081 PolarHBondContact O-N 3.39Å; F1079-V1081 PolarHBondContact O-N 3.28Å; V1081-N1083 PolarHBondContact O-N 3.05Å; V1081-A1084 PolarHBondContact O-N 3Å; V1081-S1085 PolarHBondContact O-N 3.46Å |
| 1082 | L | 84.1 | Confident | 79.6 | Confident | 33 Ų | 33 | 39.5 Ų | 39.5 | 17% | 0.173 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 178.3 | -71.5 | 177.2 | 0 | 0 | 0 | 111.4 | L1055 V1058 T1059 V1062 V1078 F1079 S1085 Q1086 | L1055-L1082 HydrophobicContact CD2-CD2 4.15Å; V1058-L1082 HydrophobicContact CG1-CD1 4.08Å; T1059-L1082 HydrophobicContact CG2-CB 3.86Å; T1059-L1082 WeakPolarHBondContact OG1-CB 3.46Å; V1062-L1082 HydrophobicContact CG2-CD1 4.37Å; V1078-L1082 HydrophobicContact CG1-CD1 3.65Å; V1078-L1082 HydrophobicContact CG1-CG 4.13Å; V1078-L1082 WeakPolarHBondContact O-CB 3.08Å; V1078-L1082 WeakPolarHBondContact O-CG 3.34Å; V1078-L1082 PolarHBondContact O-N 3.49Å; F1079-L1082 PolarHBondContact O-N 3.42Å; L1082-S1085 WeakPolarHBondContact O-CB 3.29Å; L1082-S1085 PolarHBondContact O-N 3.14Å; L1082-S1085 PolarHBondContact O-OG 3.07Å; L1082-Q1086 WeakPolarHBondContact O-CG 3.48Å; L1082-Q1086 PolarHBondContact O-N 3.05Å |
| 1083 | N | 82.5 | Confident | 80.7 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 178.5 | -145.3 | -64.6 | 0 | 0 | 0 | 111.8 | T1059 F1079 I1080 V1081 S1085 Q1086 | T1059-N1083 HydrophobicContact CG2-CB 3.95Å; F1079-N1083 WeakPolarHBondContact CZ-ND2 3.35Å; F1079-N1083 WeakPolarHBondContact O-CB 3.5Å; F1079-N1083 PolarHBondContact O-N 3.2Å; I1080-N1083 PolarHBondContact O-N 3.25Å; V1081-N1083 PolarHBondContact O-N 3.05Å; N1083-S1085 VanDerWaalsContact C-N 3.27Å; N1083-S1085 PolarHBondContact O-N 3.23Å; N1083-Q1086 WeakPolarHBondContact O-CB 3.49Å; N1083-Q1086 WeakPolarHBondContact O-CG 3.47Å; N1083-Q1086 PolarHBondContact O-N 2.9Å; N1083-Q1086 VanDerWaalsContact O-N 3.16Å |
| 1084 | A | 83.3 | Confident | 81.5 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.8 | -30.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A865 I1080 V1081 Q1086 | A865-A1084 HydrophobicContact CB-CB 3.54Å; A865-A1084 WeakPolarHBondContact O-CB 3.44Å; I1080-A1084 WeakPolarHBondContact O-CB 3.16Å; I1080-A1084 PolarHBondContact O-N 3.45Å; V1081-A1084 PolarHBondContact O-N 3Å; A1084-Q1086 PolarHBondContact O-N 3.04Å |
| 1085 | S | 85.3 | Confident | 82 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -29.8 | 175.5 | 81.8 | 0 | 0 | 0 | 0 | 112.4 | V1081 L1082 N1083 G1087 I1088 F1089 | V1081-S1085 PolarHBondContact O-N 3.46Å; L1082-S1085 WeakPolarHBondContact O-CB 3.29Å; L1082-S1085 PolarHBondContact O-N 3.14Å; L1082-S1085 PolarHBondContact O-OG 3.07Å; N1083-S1085 VanDerWaalsContact C-N 3.27Å; N1083-S1085 PolarHBondContact O-N 3.23Å; S1085-G1087 PolarHBondContact O-N 3.35Å; S1085-I1088 WeakPolarHBondContact O-CB 3.24Å; S1085-I1088 PolarHBondContact O-N 2.87Å; S1085-F1089 VanDerWaalsContact O-CD2 3.24Å; S1085-F1089 WeakPolarHBondContact O-CD2 3.16Å; S1085-F1089 PolarHBondContact O-N 2.97Å |
| 1086 | Q | 86.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.7 | -48.5 | -173.9 | -59.9 | 178.7 | -1 | 0 | 0 | 112.8 | L1056 T1059 L1082 N1083 A1084 I1088 F1089 I1090 | L1056-Q1086 HydrophobicContact CD1-CB 4.01Å; L1056-Q1086 HydrophobicContact CD1-CG 3.65Å; T1059-Q1086 VanDerWaalsContact CB-NE2 3.32Å; T1059-Q1086 PolarHBondContact OG1-NE2 3.26Å; T1059-Q1086 VanDerWaalsContact OG1-NE2 3.08Å; L1082-Q1086 WeakPolarHBondContact O-CG 3.48Å; L1082-Q1086 PolarHBondContact O-N 3.05Å; N1083-Q1086 WeakPolarHBondContact O-CB 3.49Å; N1083-Q1086 WeakPolarHBondContact O-CG 3.47Å; N1083-Q1086 PolarHBondContact O-N 2.9Å; N1083-Q1086 VanDerWaalsContact O-N 3.16Å; A1084-Q1086 PolarHBondContact O-N 3.04Å; Q1086-I1088 PolarHBondContact O-N 3.44Å; Q1086-F1089 PolarHBondContact O-N 3.31Å; Q1086-I1090 WeakPolarHBondContact O-CG1 3.37Å; Q1086-I1090 PolarHBondContact O-N 3.34Å; Q1086-I1090 VanDerWaalsContact O-N 3.08Å |
| 1087 | G | 86 | Confident | 82.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S872 S1085 F1089 I1090 L1091 | S872-G1087 VanDerWaalsContact OG-CA 3.26Å; S872-G1087 WeakPolarHBondContact OG-CA 3.28Å; S872-G1087 PolarHBondContact OG-O 2.96Å; S1085-G1087 PolarHBondContact O-N 3.35Å; G1087-F1089 PolarHBondContact O-N 3.48Å; G1087-I1090 PolarHBondContact O-N 2.7Å; G1087-L1091 PolarHBondContact O-N 3.47Å |
| 1088 | I | 86.5 | Confident | 82.3 | Confident | 58 Ų | 58 | 35.5 Ų | 35.5 | 30% | 0.297 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 178.8 | -58.2 | 172.1 | 0 | 0 | 0 | 110.1 | L868 S872 S1085 Q1086 L1091 V1092 | L868-I1088 HydrophobicContact CD2-CD1 3.72Å; L868-I1088 HydrophobicContact CG-CD1 3.99Å; L868-I1088 HydrophobicContact CG-CG1 4.47Å; S872-I1088 PolarHBondContact OG-N 3.41Å; S1085-I1088 WeakPolarHBondContact O-CB 3.24Å; S1085-I1088 PolarHBondContact O-N 2.87Å; Q1086-I1088 PolarHBondContact O-N 3.44Å; I1088-L1091 PolarHBondContact O-N 3.47Å; I1088-V1092 HydrophobicContact CG2-CG2 4.16Å; I1088-V1092 WeakPolarHBondContact O-CB 3.25Å; I1088-V1092 VanDerWaalsContact O-CG2 3.3Å; I1088-V1092 WeakPolarHBondContact O-CG2 3.5Å; I1088-V1092 PolarHBondContact O-N 2.89Å |
| 1089 | F | 84.1 | Confident | 81.7 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 21% | 0.211 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 178.4 | -90.4 | -93.2 | 0 | 0 | 0 | 112.1 | M1051 L1052 L1055 S1085 Q1086 G1087 V1092 F1093 | M1051-F1089 HydrophobicContact CE-CD1 4.48Å; M1051-F1089 HydrophobicContact CE-CE1 3.34Å; M1051-F1089 HydrophobicContact CE-CZ 3.61Å; M1051-F1089 HydrophobicContact CG-CD1 4.45Å; M1051-F1089 HydrophobicContact CG-CE1 4.09Å; M1051-F1089 HydrophobicContact SD-CD1 4.36Å; M1051-F1089 HydrophobicContact SD-CE1 3.61Å; M1051-F1089 HydrophobicContact SD-CZ 4.46Å; L1052-F1089 HydrophobicContact CD1-CB 4.43Å; L1055-F1089 HydrophobicContact CD1-CB 4.29Å; L1055-F1089 HydrophobicContact CD1-CD1 3.53Å; L1055-F1089 HydrophobicContact CD1-CD2 3.57Å; L1055-F1089 HydrophobicContact CD1-CE1 3.67Å; L1055-F1089 HydrophobicContact CD1-CE2 3.67Å; L1055-F1089 HydrophobicContact CD1-CG 3.5Å; L1055-F1089 HydrophobicContact CD1-CZ 3.74Å; S1085-F1089 VanDerWaalsContact O-CD2 3.24Å; S1085-F1089 WeakPolarHBondContact O-CD2 3.16Å; S1085-F1089 PolarHBondContact O-N 2.97Å; Q1086-F1089 PolarHBondContact O-N 3.31Å; G1087-F1089 PolarHBondContact O-N 3.48Å; F1089-V1092 PolarHBondContact O-N 3.33Å; F1089-F1093 AromaticContact CD1-CD2 3.57Å; F1089-F1093 HydrophobicContact CD1-CD2 3.57Å; F1089-F1093 AromaticContact CD1-CE2 3.3Å; F1089-F1093 HydrophobicContact CD1-CE2 3.3Å; F1089-F1093 HydrophobicContact CD1-CZ 4.41Å; F1089-F1093 HydrophobicContact CE1-CD2 4.2Å; F1089-F1093 AromaticContact CE1-CE2 3.43Å; F1089-F1093 HydrophobicContact CE1-CE2 3.43Å; F1089-F1093 VanDerWaalsContact CE1-CE2 3.43Å; F1089-F1093 HydrophobicContact CE1-CZ 4.25Å; F1089-F1093 HydrophobicContact CG-CD2 4.42Å; F1089-F1093 HydrophobicContact CG-CE2 4.39Å; F1089-F1093 WeakPolarHBondContact O-CB 3.09Å; F1089-F1093 WeakPolarHBondContact O-CD2 3.29Å; F1089-F1093 PolarHBondContact O-N 2.93Å |
| 1090 | I | 84.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -59.8 | -48.7 | 174.5 | -66.1 | 167 | 0 | 0 | 0 | 110.1 | L873 F880 L897 L901 L1052 Q1086 G1087 H1094 | L873-I1090 HydrophobicContact CD2-CD1 4.09Å; F880-I1090 HydrophobicContact CE2-CG2 4.07Å; F880-I1090 HydrophobicContact CZ-CG2 4.33Å; L897-I1090 HydrophobicContact CD2-CD1 4.33Å; L901-I1090 HydrophobicContact CD1-CD1 4.24Å; L1052-I1090 HydrophobicContact CD1-CD1 4.49Å; L1052-I1090 HydrophobicContact CD1-CG1 3.86Å; L1052-I1090 HydrophobicContact CD2-CG1 3.83Å; Q1086-I1090 WeakPolarHBondContact O-CG1 3.37Å; Q1086-I1090 PolarHBondContact O-N 3.34Å; Q1086-I1090 VanDerWaalsContact O-N 3.08Å; G1087-I1090 PolarHBondContact O-N 2.7Å; I1090-H1094 VanDerWaalsContact O-CB 3.31Å; I1090-H1094 WeakPolarHBondContact O-CB 3.42Å; I1090-H1094 PolarHBondContact O-N 3.17Å |
| 1091 | L | 86.8 | Confident | 80.2 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 15% | 0.152 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -59.8 | -51.1 | 178.4 | -178.7 | 65.2 | 0 | 0 | 0 | 111.9 | L875 S876 G1087 I1088 V1095 L1096 | L875-L1091 HydrophobicContact CB-CD1 4.04Å; L875-L1091 HydrophobicContact CB-CD2 4.49Å; L875-L1091 HydrophobicContact CD1-CD2 4.35Å; S876-L1091 WeakPolarHBondContact OG-CA 3.43Å; S876-L1091 WeakPolarHBondContact OG-CB 3.33Å; S876-L1091 PolarHBondContact OG-N 3.01Å; G1087-L1091 PolarHBondContact O-N 3.47Å; I1088-L1091 PolarHBondContact O-N 3.47Å; L1091-V1095 HydrophobicContact CD1-CB 4.15Å; L1091-V1095 HydrophobicContact CD1-CG1 4.43Å; L1091-V1095 HydrophobicContact CD1-CG2 4.31Å; L1091-V1095 WeakPolarHBondContact O-CA 3.26Å; L1091-V1095 VanDerWaalsContact O-CB 3.24Å; L1091-V1095 WeakPolarHBondContact O-CB 3.48Å; L1091-V1095 PolarHBondContact O-N 2.87Å; L1091-V1095 VanDerWaalsContact O-N 3.15Å; L1091-L1096 HydrophobicContact CG-CD1 4.35Å; L1091-L1096 HydrophobicContact CG-CG 4.42Å; L1091-L1096 PolarHBondContact O-N 2.96Å |
| 1092 | V | 83.5 | Confident | 79.6 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 30% | 0.297 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -65.6 | -53.6 | -175.1 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | I1088 F1089 L1096 M1097 | I1088-V1092 HydrophobicContact CG2-CG2 4.16Å; I1088-V1092 WeakPolarHBondContact O-CB 3.25Å; I1088-V1092 VanDerWaalsContact O-CG2 3.3Å; I1088-V1092 WeakPolarHBondContact O-CG2 3.5Å; I1088-V1092 PolarHBondContact O-N 2.89Å; F1089-V1092 PolarHBondContact O-N 3.33Å; V1092-L1096 HydrophobicContact CG2-CD1 4.31Å; V1092-L1096 PolarHBondContact O-N 2.82Å; V1092-M1097 HydrophobicContact CG1-CG 4.21Å; V1092-M1097 HydrophobicContact CG1-SD 4.04Å; V1092-M1097 WeakPolarHBondContact O-CB 3.48Å; V1092-M1097 VanDerWaalsContact O-CG 3.3Å; V1092-M1097 WeakPolarHBondContact O-CG 3.26Å; V1092-M1097 PolarHBondContact O-N 3.28Å |
| 1093 | F | 79.1 | Confident | 78.9 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 16% | 0.158 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -77.9 | -39.3 | -172.2 | -76.3 | -85.2 | 0 | 0 | 0 | 113.3 | M1051 F1089 M1097 | M1051-F1093 HydrophobicContact SD-CE2 4.45Å; M1051-F1093 HydrophobicContact SD-CZ 4.17Å; F1089-F1093 AromaticContact CD1-CD2 3.57Å; F1089-F1093 HydrophobicContact CD1-CD2 3.57Å; F1089-F1093 AromaticContact CD1-CE2 3.3Å; F1089-F1093 HydrophobicContact CD1-CE2 3.3Å; F1089-F1093 HydrophobicContact CD1-CZ 4.41Å; F1089-F1093 HydrophobicContact CE1-CD2 4.2Å; F1089-F1093 AromaticContact CE1-CE2 3.43Å; F1089-F1093 HydrophobicContact CE1-CE2 3.43Å; F1089-F1093 VanDerWaalsContact CE1-CE2 3.43Å; F1089-F1093 HydrophobicContact CE1-CZ 4.25Å; F1089-F1093 HydrophobicContact CG-CD2 4.42Å; F1089-F1093 HydrophobicContact CG-CE2 4.39Å; F1089-F1093 WeakPolarHBondContact O-CB 3.09Å; F1089-F1093 WeakPolarHBondContact O-CD2 3.29Å; F1089-F1093 PolarHBondContact O-N 2.93Å; F1093-M1097 HydrophobicContact CD1-CE 4.34Å; F1093-M1097 HydrophobicContact CD1-SD 3.59Å; F1093-M1097 VanDerWaalsContact CD1-SD 3.59Å; F1093-M1097 HydrophobicContact CE1-CE 4.19Å; F1093-M1097 HydrophobicContact CE1-SD 3.65Å; F1093-M1097 HydrophobicContact CG-SD 4.2Å; F1093-M1097 HydrophobicContact CZ-SD 4.27Å |
| 1094 | H | 78.3 | Confident | 78 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -96 | -22.5 | -171.1 | -63.5 | 84.5 | 0 | 0 | 0 | 113.5 | F880 H894 S1049 I1090 N1098 | F880-H1094 HydrophobicContact CE1-CB 4.22Å; F880-H1094 HydrophobicContact CZ-CB 3.73Å; H894-H1094 AromaticContact CD2-CD2 3.68Å; H894-H1094 AromaticContact CE1-CD2 3.5Å; H894-H1094 PolarHBondContact CE1-CD2 2.97Å; H894-H1094 VanDerWaalsContact CE1-CD2 3.5Å; H894-H1094 AromaticContact CE1-CE1 3.86Å; H894-H1094 AromaticContact CE1-NE2 3.33Å; H894-H1094 PolarHBondContact CE1-NE2 2.85Å; H894-H1094 VanDerWaalsContact CE1-NE2 3.33Å; H894-H1094 AromaticContact NE2-CD2 3.06Å; H894-H1094 PolarHBondContact NE2-CD2 3.07Å; H894-H1094 AromaticContact NE2-CG 3.94Å; H894-H1094 AromaticContact NE2-NE2 3.3Å; H894-H1094 PolarHBondContact NE2-NE2 3.31Å; S1049-H1094 PolarHBondContact OG-NE2 3.43Å; I1090-H1094 VanDerWaalsContact O-CB 3.31Å; I1090-H1094 WeakPolarHBondContact O-CB 3.42Å; I1090-H1094 PolarHBondContact O-N 3.17Å; H1094-N1098 VanDerWaalsContact O-CB 3.28Å; H1094-N1098 WeakPolarHBondContact O-CB 3.37Å |
| 1095 | V | 82 | Confident | 77.3 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -106.4 | -60.6 | 176.4 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | A879 F880 F886 L1091 L1105 | A879-V1095 HydrophobicContact CB-CB 4.46Å; A879-V1095 HydrophobicContact CB-CG1 3.53Å; A879-V1095 HydrophobicContact CB-CG2 4.03Å; F880-V1095 HydrophobicContact CD1-CG2 4.26Å; F880-V1095 HydrophobicContact CE1-CG2 3.62Å; F880-V1095 HydrophobicContact CE2-CG2 4.34Å; F880-V1095 HydrophobicContact CZ-CG2 3.66Å; F886-V1095 HydrophobicContact CZ-CG1 4.03Å; L1091-V1095 HydrophobicContact CD1-CB 4.15Å; L1091-V1095 HydrophobicContact CD1-CG1 4.43Å; L1091-V1095 HydrophobicContact CD1-CG2 4.31Å; L1091-V1095 WeakPolarHBondContact O-CA 3.26Å; L1091-V1095 VanDerWaalsContact O-CB 3.24Å; L1091-V1095 WeakPolarHBondContact O-CB 3.48Å; L1091-V1095 PolarHBondContact O-N 2.87Å; L1091-V1095 VanDerWaalsContact O-N 3.15Å; V1095-L1105 HydrophobicContact CG1-CD1 4.02Å |
| 1096 | L | 80.4 | Confident | 76.4 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -74 | -42.8 | -170.4 | -61.5 | 178.8 | 0 | 0 | 0 | 113.2 | L1091 V1092 N1098 | L1091-L1096 HydrophobicContact CG-CD1 4.35Å; L1091-L1096 HydrophobicContact CG-CG 4.42Å; L1091-L1096 PolarHBondContact O-N 2.96Å; V1092-L1096 HydrophobicContact CG2-CD1 4.31Å; V1092-L1096 PolarHBondContact O-N 2.82Å; L1096-N1098 VanDerWaalsContact C-N 3.31Å |
| 1097 | M | 75.8 | Confident | 75.5 | Confident | 117 Ų | 117 | 66.1 Ų | 66.1 | 58% | 0.576 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -80.6 | -11.4 | 177.9 | -68.4 | -176.3 | 69.7 | 0 | 0 | 113 | V1092 F1093 E1099 | V1092-M1097 HydrophobicContact CG1-CG 4.21Å; V1092-M1097 HydrophobicContact CG1-SD 4.04Å; V1092-M1097 WeakPolarHBondContact O-CB 3.48Å; V1092-M1097 VanDerWaalsContact O-CG 3.3Å; V1092-M1097 WeakPolarHBondContact O-CG 3.26Å; V1092-M1097 PolarHBondContact O-N 3.28Å; F1093-M1097 HydrophobicContact CD1-CE 4.34Å; F1093-M1097 HydrophobicContact CD1-SD 3.59Å; F1093-M1097 VanDerWaalsContact CD1-SD 3.59Å; F1093-M1097 HydrophobicContact CE1-CE 4.19Å; F1093-M1097 HydrophobicContact CE1-SD 3.65Å; F1093-M1097 HydrophobicContact CG-SD 4.2Å; F1093-M1097 HydrophobicContact CZ-SD 4.27Å; M1097-E1099 PolarHBondContact O-N 2.81Å; M1097-E1099 VanDerWaalsContact O-N 3.15Å |
| 1098 | N | 73.4 | Confident | 74.5 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | trans | -71.2 | 109.7 | 175.2 | -178.1 | -10.8 | 0 | 0 | 0 | 110.4 | F886 W1045 H1094 L1096 K1100 G1101 R1102 | F886-N1098 WeakPolarHBondContact CD1-ND2 3.5Å; F886-N1098 HydrophobicContact CE1-CB 4.13Å; F886-N1098 WeakPolarHBondContact CE1-ND2 3.19Å; W1045-N1098 HydrophobicContact CH2-CB 3.62Å; W1045-N1098 WeakPolarHBondContact CH2-ND2 3.07Å; W1045-N1098 HydrophobicContact CZ2-CB 3.92Å; W1045-N1098 VanDerWaalsContact CZ2-CG 3.46Å; W1045-N1098 WeakPolarHBondContact CZ2-OD1 3.26Å; H1094-N1098 VanDerWaalsContact O-CB 3.28Å; H1094-N1098 WeakPolarHBondContact O-CB 3.37Å; L1096-N1098 VanDerWaalsContact C-N 3.31Å; N1098-K1100 VanDerWaalsContact C-N 3.32Å; N1098-K1100 PolarHBondContact O-N 3.2Å; N1098-K1100 PolarHBondContact OD1-N 3.47Å; N1098-K1100 VanDerWaalsContact OD1-N 3.16Å; N1098-G1101 CarbonylContact O-C 3.58Å; N1098-G1101 WeakPolarHBondContact O-CA 3.35Å; N1098-G1101 PolarHBondContact O-N 3.31Å; N1098-G1101 PolarHBondContact OD1-N 3.02Å; N1098-R1102 PolarHBondContact O-N 3.45Å | ||
| 1099 | E | 68.3 | Low | 73.5 | Confident | 93 Ų | 93 | 73.6 Ų | 73.6 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -40 | -175.8 | -163.5 | -175.6 | 177.2 | 0 | 0 | 113.5 | M1097 G1101 R1102 R1103 | M1097-E1099 PolarHBondContact O-N 2.81Å; M1097-E1099 VanDerWaalsContact O-N 3.15Å; E1099-G1101 VanDerWaalsContact C-N 3.31Å; E1099-G1101 PolarHBondContact O-N 3.44Å; E1099-R1102 PolarHBondContact O-N 3.22Å; E1099-R1103 WeakPolarHBondContact O-CG 3.24Å; E1099-R1103 PolarHBondContact O-N 2.85Å; E1099-R1103 IonicContact OE1-CZ 3.43Å; E1099-R1103 IonicContact OE1-NE 3.4Å; E1099-R1103 PolarHBondContact OE1-NE 3.21Å; E1099-R1103 IonicContact OE1-NH2 2.68Å; E1099-R1103 PolarHBondContact OE1-NH2 3.46Å |
| 1100 | K | 67.4 | Low | 72.4 | Confident | 162 Ų | 162 | 74.1 Ų | 74.1 | 70% | 0.704 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.2 | -39.6 | 176.5 | -68.6 | -177.1 | -179.4 | 178.1 | 0 | 111 | N1098 K1104 | N1098-K1100 VanDerWaalsContact C-N 3.32Å; N1098-K1100 PolarHBondContact O-N 3.2Å; N1098-K1100 PolarHBondContact OD1-N 3.47Å; N1098-K1100 VanDerWaalsContact OD1-N 3.16Å; K1100-K1104 PolarHBondContact O-N 3.01Å |
| 1101 | G | 64.2 | Low | 71.1 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.3 | -55.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1098 E1099 R1103 K1104 L1105 | N1098-G1101 CarbonylContact O-C 3.58Å; N1098-G1101 WeakPolarHBondContact O-CA 3.35Å; N1098-G1101 PolarHBondContact O-N 3.31Å; N1098-G1101 PolarHBondContact OD1-N 3.02Å; E1099-G1101 VanDerWaalsContact C-N 3.31Å; E1099-G1101 PolarHBondContact O-N 3.44Å; G1101-R1103 PolarHBondContact O-N 3.36Å; G1101-K1104 PolarHBondContact O-N 3.35Å; G1101-L1105 WeakPolarHBondContact O-CB 3.32Å; G1101-L1105 PolarHBondContact O-N 3.26Å |
| 1102 | R | 69.6 | Low | 69.5 | Low | 135 Ų | 135 | 88.5 Ų | 88.5 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.3 | -43.5 | -179.4 | -171.4 | 178.1 | 66.5 | 166.4 | -1.1 | 113.1 | N1098 E1099 K1104 L1105 N1106 | N1098-R1102 PolarHBondContact O-N 3.45Å; E1099-R1102 PolarHBondContact O-N 3.22Å; R1102-K1104 VanDerWaalsContact C-N 3.31Å; R1102-K1104 PolarHBondContact O-N 2.95Å; R1102-L1105 PolarHBondContact O-N 3.4Å; R1102-N1106 VanDerWaalsContact O-CB 3.27Å; R1102-N1106 WeakPolarHBondContact O-CB 3.26Å; R1102-N1106 VanDerWaalsContact O-CG 3.24Å; R1102-N1106 PolarHBondContact O-N 3.01Å |
| 1103 | R | 68.8 | Low | 68 | Low | 156 Ų | 156 | 91.1 Ų | 91.1 | 59% | 0.589 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.3 | -36.5 | 177.3 | -70.6 | -179.9 | -170.9 | -157.9 | 4.7 | 112.2 | E1099 G1101 K1107 | E1099-R1103 WeakPolarHBondContact O-CG 3.24Å; E1099-R1103 PolarHBondContact O-N 2.85Å; E1099-R1103 IonicContact OE1-CZ 3.43Å; E1099-R1103 IonicContact OE1-NE 3.4Å; E1099-R1103 PolarHBondContact OE1-NE 3.21Å; E1099-R1103 IonicContact OE1-NH2 2.68Å; E1099-R1103 PolarHBondContact OE1-NH2 3.46Å; G1101-R1103 PolarHBondContact O-N 3.36Å; R1103-K1107 WeakPolarHBondContact O-CG 3.29Å; R1103-K1107 PolarHBondContact O-N 3.44Å |
| 1104 | K | 65.1 | Low | 66.7 | Low | 94 Ų | 94 | 92.5 Ų | 92.5 | 41% | 0.409 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -78 | -42.9 | 174.9 | -77.6 | -160.5 | -169.6 | 172 | 0 | 112.5 | I883 A885 K1100 G1101 R1102 N1106 K1107 V1108 | I883-K1104 HydrophobicContact CG2-CB 4.2Å; I883-K1104 HydrophobicContact CG2-CD 4.2Å; A885-K1104 HydrophobicContact CB-CD 3.51Å; A885-K1104 HydrophobicContact CB-CG 4.27Å; K1100-K1104 PolarHBondContact O-N 3.01Å; G1101-K1104 PolarHBondContact O-N 3.35Å; R1102-K1104 VanDerWaalsContact C-N 3.31Å; R1102-K1104 PolarHBondContact O-N 2.95Å; K1104-N1106 VanDerWaalsContact C-N 3.32Å; K1104-N1106 PolarHBondContact O-N 2.9Å; K1104-K1107 PolarHBondContact O-N 2.84Å; K1104-K1107 VanDerWaalsContact O-N 3.11Å; K1104-V1108 WeakPolarHBondContact O-CG2 3.18Å; K1104-V1108 PolarHBondContact O-N 3.29Å |
| 1105 | L | 67.1 | Low | 65.2 | Low | 43 Ų | 43 | 95.9 Ų | 95.9 | 23% | 0.225 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -54 | -50.3 | 173.2 | -97.6 | 157.8 | 0 | 0 | 0 | 110.1 | I883 V1095 G1101 R1102 K1107 V1108 F1109 | I883-L1105 HydrophobicContact CD1-CD1 4.28Å; I883-L1105 HydrophobicContact CD1-CD2 4.08Å; I883-L1105 HydrophobicContact CD1-CG 3.78Å; V1095-L1105 HydrophobicContact CG1-CD1 4.02Å; G1101-L1105 WeakPolarHBondContact O-CB 3.32Å; G1101-L1105 PolarHBondContact O-N 3.26Å; R1102-L1105 PolarHBondContact O-N 3.4Å; L1105-K1107 VanDerWaalsContact C-N 3.32Å; L1105-K1107 PolarHBondContact O-N 2.89Å; L1105-V1108 CarbonylContact O-C 3.5Å; L1105-V1108 PolarHBondContact O-N 3.39Å; L1105-V1108 VanDerWaalsContact O-N 3.11Å; L1105-F1109 WeakPolarHBondContact O-CB 3.33Å; L1105-F1109 PolarHBondContact O-N 3.31Å |
| 1106 | N | 67.3 | Low | 63.7 | Low | 101 Ų | 101 | 101.1 Ų | 101.1 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 177.2 | -73 | -0.2 | 0 | 0 | 0 | 112.8 | R1102 K1104 A1110 | R1102-N1106 VanDerWaalsContact O-CB 3.27Å; R1102-N1106 WeakPolarHBondContact O-CB 3.26Å; R1102-N1106 VanDerWaalsContact O-CG 3.24Å; R1102-N1106 PolarHBondContact O-N 3.01Å; K1104-N1106 VanDerWaalsContact C-N 3.32Å; K1104-N1106 PolarHBondContact O-N 2.9Å; N1106-A1110 WeakPolarHBondContact O-CB 3.03Å; N1106-A1110 PolarHBondContact O-N 3.27Å |
| 1107 | K | 67.4 | Low | 62.2 | Low | 161 Ų | 161 | 100.4 Ų | 100.4 | 70% | 0.7 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | 173.7 | -77.7 | 179.5 | -179.7 | -173.5 | 0 | 112.2 | R1103 K1104 L1105 K1111 | R1103-K1107 WeakPolarHBondContact O-CG 3.29Å; R1103-K1107 PolarHBondContact O-N 3.44Å; K1104-K1107 PolarHBondContact O-N 2.84Å; K1104-K1107 VanDerWaalsContact O-N 3.11Å; L1105-K1107 VanDerWaalsContact C-N 3.32Å; L1105-K1107 PolarHBondContact O-N 2.89Å; K1107-K1111 WeakPolarHBondContact O-CB 3.11Å; K1107-K1111 PolarHBondContact O-N 3.07Å |
| 1108 | V | 65.9 | Low | 60.7 | Low | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.515 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.7 | -45.7 | 177 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | K1104 L1105 K1111 Y1112 | K1104-V1108 WeakPolarHBondContact O-CG2 3.18Å; K1104-V1108 PolarHBondContact O-N 3.29Å; L1105-V1108 CarbonylContact O-C 3.5Å; L1105-V1108 PolarHBondContact O-N 3.39Å; L1105-V1108 VanDerWaalsContact O-N 3.11Å; V1108-K1111 WeakPolarHBondContact O-CB 3.24Å; V1108-K1111 PolarHBondContact O-N 3.12Å; V1108-Y1112 PolarHBondContact O-N 3.4Å |
| 1109 | F | 64.7 | Low | 59.4 | Low | 130 Ų | 130 | 110.4 Ų | 110.4 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 177.9 | -123.5 | -88.7 | 0 | 0 | 0 | 111.6 | L1105 K1111 Y1112 I1113 | L1105-F1109 WeakPolarHBondContact O-CB 3.33Å; L1105-F1109 PolarHBondContact O-N 3.31Å; F1109-K1111 VanDerWaalsContact C-N 3.29Å; F1109-K1111 PolarHBondContact O-N 3.45Å; F1109-Y1112 PolarHBondContact O-N 3.42Å; F1109-Y1112 VanDerWaalsContact O-N 3.16Å; F1109-I1113 HydrophobicContact CD1-CD1 3.8Å; F1109-I1113 HydrophobicContact CD1-CG1 4.15Å; F1109-I1113 HydrophobicContact CE1-CD1 4.4Å; F1109-I1113 WeakPolarHBondContact O-CB 2.9Å; F1109-I1113 WeakPolarHBondContact O-CG1 3.08Å; F1109-I1113 PolarHBondContact O-N 3.35Å |
| 1110 | A | 61.5 | Low | 58.5 | Low | 60 Ų | 60 | 110 Ų | 110 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1106 S1114 | N1106-A1110 WeakPolarHBondContact O-CB 3.03Å; N1106-A1110 PolarHBondContact O-N 3.27Å; A1110-S1114 WeakPolarHBondContact O-CB 3.44Å; A1110-S1114 PolarHBondContact O-N 2.75Å; A1110-S1114 PolarHBondContact O-OG 3.36Å |
| 1111 | K | 57.6 | Low | 57.4 | Low | 163 Ų | 163 | 109.2 Ų | 109.2 | 71% | 0.709 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -42.6 | 174 | -168.1 | 176.5 | -177.4 | 179.7 | 0 | 111.6 | K1107 V1108 F1109 S1114 C1115 | K1107-K1111 WeakPolarHBondContact O-CB 3.11Å; K1107-K1111 PolarHBondContact O-N 3.07Å; V1108-K1111 WeakPolarHBondContact O-CB 3.24Å; V1108-K1111 PolarHBondContact O-N 3.12Å; F1109-K1111 VanDerWaalsContact C-N 3.29Å; F1109-K1111 PolarHBondContact O-N 3.45Å; K1111-S1114 PolarHBondContact O-OG 2.99Å; K1111-C1115 PolarHBondContact O-N 2.9Å; K1111-C1115 VanDerWaalsContact O-N 3.14Å |
| 1112 | Y | 51.7 | Low | 56.7 | Low | 167 Ų | 167 | 115.5 Ų | 115.5 | 66% | 0.655 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.7 | -43.3 | 179.8 | -134.8 | -90.3 | 0 | 0 | 0 | 112.8 | V1108 F1109 S1114 C1115 L1116 | V1108-Y1112 PolarHBondContact O-N 3.4Å; F1109-Y1112 PolarHBondContact O-N 3.42Å; F1109-Y1112 VanDerWaalsContact O-N 3.16Å; Y1112-S1114 VanDerWaalsContact C-N 3.33Å; Y1112-S1114 PolarHBondContact O-N 3.01Å; Y1112-C1115 WeakPolarHBondContact O-CB 3.16Å; Y1112-C1115 PolarHBondContact O-N 2.92Å; Y1112-L1116 HydrophobicContact CD1-CD1 4.06Å; Y1112-L1116 HydrophobicContact CE1-CD1 4.11Å; Y1112-L1116 PolarHBondContact O-N 3.09Å |
| 1113 | I | 52.9 | Low | 55.7 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61 | -42.3 | 173.9 | -70.1 | 173.3 | 0 | 0 | 0 | 110.3 | F1109 C1115 L1116 S1117 | F1109-I1113 HydrophobicContact CD1-CD1 3.8Å; F1109-I1113 HydrophobicContact CD1-CG1 4.15Å; F1109-I1113 HydrophobicContact CE1-CD1 4.4Å; F1109-I1113 WeakPolarHBondContact O-CB 2.9Å; F1109-I1113 WeakPolarHBondContact O-CG1 3.08Å; F1109-I1113 PolarHBondContact O-N 3.35Å; I1113-C1115 PolarHBondContact O-N 3.28Å; I1113-L1116 PolarHBondContact O-N 3.08Å; I1113-S1117 WeakPolarHBondContact O-CB 3.14Å; I1113-S1117 PolarHBondContact O-N 2.86Å |
| 1114 | S | 50.8 | Low | 54.8 | Low | 66 Ų | 66 | 111 Ų | 111 | 46% | 0.462 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.9 | -34 | 174.6 | 78.9 | 0 | 0 | 0 | 0 | 112.3 | A1110 K1111 Y1112 W1118 | A1110-S1114 WeakPolarHBondContact O-CB 3.44Å; A1110-S1114 PolarHBondContact O-N 2.75Å; A1110-S1114 PolarHBondContact O-OG 3.36Å; K1111-S1114 PolarHBondContact O-OG 2.99Å; Y1112-S1114 VanDerWaalsContact C-N 3.33Å; Y1112-S1114 PolarHBondContact O-N 3.01Å; S1114-W1118 WeakPolarHBondContact O-CB 3.3Å; S1114-W1118 PolarHBondContact O-N 2.77Å |
| 1115 | C | 47.6 | Very low | 54.1 | Low | 72 Ų | 72 | 111.6 Ų | 111.6 | 49% | 0.486 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77 | -37.2 | 179.5 | -142.4 | 0 | 0 | 0 | 0 | 112.4 | K1111 Y1112 I1113 W1118 K1119 | K1111-C1115 PolarHBondContact O-N 2.9Å; K1111-C1115 VanDerWaalsContact O-N 3.14Å; Y1112-C1115 WeakPolarHBondContact O-CB 3.16Å; Y1112-C1115 PolarHBondContact O-N 2.92Å; I1113-C1115 PolarHBondContact O-N 3.28Å; C1115-W1118 PolarHBondContact O-N 3.14Å; C1115-K1119 PolarHBondContact O-N 3.06Å; C1115-K1119 VanDerWaalsContact O-N 3.1Å |
| 1116 | L | 49.8 | Very low | 53.4 | Low | 114 Ų | 114 | 113 Ų | 113 | 60% | 0.597 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.4 | -42.7 | 173.1 | -116.5 | 77.9 | 0 | 0 | 0 | 111.4 | Y1112 I1113 W1118 K1119 S1120 | Y1112-L1116 HydrophobicContact CD1-CD1 4.06Å; Y1112-L1116 HydrophobicContact CE1-CD1 4.11Å; Y1112-L1116 PolarHBondContact O-N 3.09Å; I1113-L1116 PolarHBondContact O-N 3.08Å; L1116-W1118 VanDerWaalsContact C-N 3.32Å; L1116-W1118 PolarHBondContact O-N 3Å; L1116-K1119 PolarHBondContact O-N 3.42Å; L1116-S1120 PolarHBondContact O-N 3.45Å |
| 1117 | S | 50.2 | Low | 52.5 | Low | 75 Ų | 75 | 115.9 Ų | 115.9 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.5 | -42.5 | 173.8 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | I1113 K1119 S1120 Y1121 | I1113-S1117 WeakPolarHBondContact O-CB 3.14Å; I1113-S1117 PolarHBondContact O-N 2.86Å; S1117-K1119 PolarHBondContact O-N 3.38Å; S1117-S1120 PolarHBondContact O-N 2.75Å; S1117-Y1121 WeakPolarHBondContact O-CB 3.34Å; S1117-Y1121 PolarHBondContact O-N 2.68Å |
| 1118 | W | 43 | Very low | 51.7 | Low | 173 Ų | 173 | 111 Ų | 111 | 66% | 0.655 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.6 | -36.6 | 178.6 | -150.5 | -23 | 0 | 0 | 0 | 113.2 | S1114 C1115 L1116 K1122 | S1114-W1118 WeakPolarHBondContact O-CB 3.3Å; S1114-W1118 PolarHBondContact O-N 2.77Å; C1115-W1118 PolarHBondContact O-N 3.14Å; L1116-W1118 VanDerWaalsContact C-N 3.32Å; L1116-W1118 PolarHBondContact O-N 3Å; W1118-K1122 PolarHBondContact O-N 2.75Å |
| 1119 | K | 47.3 | Very low | 50.9 | Low | 164 Ų | 164 | 111.4 Ų | 111.4 | 71% | 0.713 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.8 | -40 | 175.1 | -79.7 | -171.1 | 176.8 | -175.9 | 0 | 112.4 | C1115 L1116 S1117 Y1121 K1122 A1123 | C1115-K1119 PolarHBondContact O-N 3.06Å; C1115-K1119 VanDerWaalsContact O-N 3.1Å; L1116-K1119 PolarHBondContact O-N 3.42Å; S1117-K1119 PolarHBondContact O-N 3.38Å; K1119-Y1121 VanDerWaalsContact C-N 3.35Å; K1119-K1122 PolarHBondContact O-N 3.29Å; K1119-A1123 PolarHBondContact O-N 2.89Å |
| 1120 | S | 47.9 | Very low | 50.2 | Low | 86 Ų | 86 | 113 Ų | 113 | 60% | 0.601 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.5 | -39.6 | 175.7 | -170 | 0 | 0 | 0 | 0 | 111.6 | L1116 S1117 A1123 F1124 | L1116-S1120 PolarHBondContact O-N 3.45Å; S1117-S1120 PolarHBondContact O-N 2.75Å; S1120-A1123 PolarHBondContact O-N 2.88Å; S1120-F1124 PolarHBondContact O-N 3.23Å; S1120-F1124 VanDerWaalsContact O-N 3.13Å |
| 1121 | Y | 45.7 | Very low | 49.3 | Very low | 144 Ų | 144 | 114.3 Ų | 114.3 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.8 | -43.9 | 175.4 | -164.4 | -93.8 | 0 | 0 | 0 | 112.6 | S1117 K1119 F1124 E1125 | S1117-Y1121 WeakPolarHBondContact O-CB 3.34Å; S1117-Y1121 PolarHBondContact O-N 2.68Å; K1119-Y1121 VanDerWaalsContact C-N 3.35Å; Y1121-F1124 PolarHBondContact O-N 2.88Å; Y1121-E1125 PolarHBondContact O-N 3.33Å |
| 1122 | K | 49 | Very low | 48.6 | Very low | 133 Ų | 133 | 117 Ų | 117 | 58% | 0.578 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.8 | -35.4 | 176.9 | -83.1 | -173.2 | 176 | -175.8 | 0 | 113.7 | W1118 K1119 F1124 E1125 S1126 | W1118-K1122 PolarHBondContact O-N 2.75Å; K1119-K1122 PolarHBondContact O-N 3.29Å; K1122-F1124 VanDerWaalsContact C-N 3.33Å; K1122-E1125 PolarHBondContact O-N 3.34Å; K1122-S1126 PolarHBondContact O-N 2.03Å |
| 1123 | A | 49.4 | Very low | 48 | Very low | 54 Ų | 54 | 114.2 Ų | 114.2 | 45% | 0.446 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.3 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | K1119 S1120 S1126 F1127 | K1119-A1123 PolarHBondContact O-N 2.89Å; S1120-A1123 PolarHBondContact O-N 2.88Å; A1123-S1126 PolarHBondContact O-N 3.4Å; A1123-S1126 PolarHBondContact O-OG 2.86Å; A1123-F1127 PolarHBondContact O-N 2.63Å |
| 1124 | F | 48.8 | Very low | 47.2 | Very low | 143 Ų | 143 | 117.8 Ų | 117.8 | 63% | 0.627 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.2 | -37.7 | 177.3 | -171.8 | -99.7 | 0 | 0 | 0 | 113.3 | S1120 Y1121 K1122 S1126 F1127 T1128 | S1120-F1124 PolarHBondContact O-N 3.23Å; S1120-F1124 VanDerWaalsContact O-N 3.13Å; Y1121-F1124 PolarHBondContact O-N 2.88Å; K1122-F1124 VanDerWaalsContact C-N 3.33Å; F1124-S1126 VanDerWaalsContact C-N 3.32Å; F1124-S1126 PolarHBondContact O-N 3.16Å; F1124-F1127 PolarHBondContact O-N 3.17Å; F1124-T1128 PolarHBondContact O-N 3.3Å; F1124-T1128 VanDerWaalsContact O-N 3.09Å; F1124-T1128 PolarHBondContact O-OG1 3.18Å |
| 1125 | E | 51 | Low | 46.4 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 50% | 0.495 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.9 | -38.6 | 174 | -105.2 | -176.3 | 159 | 0 | 0 | 112.6 | Y1121 K1122 F1127 T1128 S1129 | Y1121-E1125 PolarHBondContact O-N 3.33Å; K1122-E1125 PolarHBondContact O-N 3.34Å; E1125-F1127 VanDerWaalsContact C-N 3.32Å; E1125-F1127 PolarHBondContact O-N 2.91Å; E1125-T1128 PolarHBondContact O-N 2.94Å; E1125-S1129 PolarHBondContact O-N 3.03Å; E1125-S1129 VanDerWaalsContact O-N 3.1Å; E1125-S1129 PolarHBondContact O-OG 2.94Å |
| 1126 | S | 51.4 | Low | 45.6 | Very low | 73 Ų | 73 | 126 Ų | 126 | 51% | 0.51 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.4 | -33.4 | 178.4 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | K1122 A1123 F1124 | K1122-S1126 PolarHBondContact O-N 2.03Å; A1123-S1126 PolarHBondContact O-N 3.4Å; A1123-S1126 PolarHBondContact O-OG 2.86Å; F1124-S1126 VanDerWaalsContact C-N 3.32Å; F1124-S1126 PolarHBondContact O-N 3.16Å |
| 1127 | F | 49 | Very low | 44.9 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75 | -36.1 | 174.4 | -91.9 | -86.9 | 0 | 0 | 0 | 113 | A1123 F1124 E1125 S1129 Q1130 | A1123-F1127 PolarHBondContact O-N 2.63Å; F1124-F1127 PolarHBondContact O-N 3.17Å; E1125-F1127 VanDerWaalsContact C-N 3.32Å; E1125-F1127 PolarHBondContact O-N 2.91Å; F1127-S1129 VanDerWaalsContact C-N 3.3Å; F1127-S1129 PolarHBondContact O-N 3.4Å; F1127-Q1130 PolarHBondContact O-N 3.41Å |
| 1128 | T | 49.4 | Very low | 44 | Very low | 58 Ų | 58 | 127.1 Ų | 127.1 | 36% | 0.356 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -74.8 | -23.8 | -177.5 | -43.3 | 0 | 0 | 0 | 0 | 112.2 | F1124 E1125 Q1130 S1131 | F1124-T1128 PolarHBondContact O-N 3.3Å; F1124-T1128 VanDerWaalsContact O-N 3.09Å; F1124-T1128 PolarHBondContact O-OG1 3.18Å; E1125-T1128 PolarHBondContact O-N 2.94Å; T1128-Q1130 VanDerWaalsContact C-N 3.31Å; T1128-Q1130 PolarHBondContact O-N 2.68Å; T1128-S1131 PolarHBondContact O-OG 3.02Å |
| 1129 | S | 50.3 | Low | 43.6 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.7 | -25 | 177 | -54.2 | 0 | 0 | 0 | 0 | 113.3 | E1125 F1127 | E1125-S1129 PolarHBondContact O-N 3.03Å; E1125-S1129 VanDerWaalsContact O-N 3.1Å; E1125-S1129 PolarHBondContact O-OG 2.94Å; F1127-S1129 VanDerWaalsContact C-N 3.3Å; F1127-S1129 PolarHBondContact O-N 3.4Å |
| 1130 | Q | 49.5 | Very low | 42.7 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -85.4 | -20.7 | -179.7 | -93.7 | 179.8 | -4.6 | 0 | 0 | 114.3 | F1127 T1128 | F1127-Q1130 PolarHBondContact O-N 3.41Å; T1128-Q1130 VanDerWaalsContact C-N 3.31Å; T1128-Q1130 PolarHBondContact O-N 2.68Å |
| 1131 | S | 43.9 | Very low | 41.9 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -89 | -10.3 | -177.2 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | T1128 | T1128-S1131 PolarHBondContact O-OG 3.02Å |
| 1132 | R | 41.8 | Very low | 41 | Very low | 221 Ų | 221 | 129 Ų | 129 | 83% | 0.834 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 0.3 | -176.2 | -104 | 179.8 | 178 | 173.7 | 0 | 116.4 | K1134 | R1132-K1134 VanDerWaalsContact C-N 3.26Å; R1132-K1134 PolarHBondContact O-N 3.3Å |
| 1133 | S | 39.9 | Very low | 40 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 1.9 | 177.3 | 83.4 | 0 | 0 | 0 | 0 | 115 | ||
| 1134 | K | 36.6 | Very low | 39 | Very low | 178 Ų | 178 | 130 Ų | 130 | 77% | 0.774 | 70% | 0.702 | S | S | * | * | trans | -131.6 | 93.6 | 178.7 | -72.8 | -177.2 | -179.8 | 176.5 | 0 | 111.6 | R1132 | R1132-K1134 VanDerWaalsContact C-N 3.26Å; R1132-K1134 PolarHBondContact O-N 3.3Å | ||
| 1135 | K | 32.6 | Very low | 38 | Very low | 208 Ų | 208 | 129.5 Ų | 129.5 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | 176.5 | 109.2 | 124.4 | -96.8 | 167.6 | -178.8 | -178 | 0 | 110 | |||||
| 1136 | S | 32.2 | Very low | 36.9 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | -70.8 | 155.6 | 167.2 | 56 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1137 | S | 33.6 | Very low | 35.9 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | 65.8 | 122.6 | 141.4 | 65.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1138 | S | 32.6 | Very low | 34.9 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | 70.1 | 137.1 | 149.1 | -104.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1139 | Q | 34.1 | Very low | 34.1 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | cis | -168.5 | 155.9 | 34.1 | -161.1 | 158.1 | -34.2 | 0 | 0 | 107.2 | ||||
| 1140 | K | 27.5 | Very low | 32.9 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | -58.4 | 145.7 | 172.1 | -69 | 159.6 | 168.2 | 174.7 | 0 | 110 | ||||
| 1141 | D | 31.6 | Very low | 32.2 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -178.1 | 132.3 | 115.1 | -84 | -22.2 | 0 | 0 | 0 | 113 | |||||
| 1142 | S | 26.7 | Very low | 31.7 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -3.5 | 130.1 | 153.1 | 48 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1143 | S | 29.1 | Very low | 31.2 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | 154.7 | 135.1 | 105.5 | -65.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1144 | S | 28.3 | Very low | 30.8 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 65.4 | 113 | 144.9 | 65.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1145 | T | 27.5 | Very low | 30.5 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 58 | 119 | 131.9 | 52.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1146 | F | 28 | Very low | 30.4 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | 167.3 | 137.1 | 97.8 | -156.7 | -137.3 | 0 | 0 | 0 | 111.8 | |||||
| 1147 | F | 29.6 | Very low | 30.3 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | 63 | 103.7 | 169.5 | -77.8 | -62.4 | 0 | 0 | 0 | 123.3 | ||||
| 1148 | S | 27.3 | Very low | 30.4 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -10.8 | 127.4 | 132.4 | -46.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1149 | D | 32.9 | Very low | 30.4 | Very low | 167 Ų | 167 | 145 Ų | 145 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | -146.1 | 129.9 | 129.1 | -101.8 | -29 | 0 | 0 | 0 | 109.7 | |||||
| 1150 | L | 26.5 | Very low | 30.5 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 127.3 | -169.8 | -135.9 | 98.4 | 0 | 0 | 0 | 110.2 | ||
| 1151 | P | 35.1 | Very low | 30.8 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 124.7 | 159 | 1 | 19.1 | 0 | 0 | 0 | 110.3 | ||
| 1152 | V | 31.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 143 Ų | 143 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 146.8 | -179.4 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1153 | P | 31.6 | Very low | 31.8 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 168.3 | -170.6 | -6.2 | 25.5 | 0 | 0 | 0 | 114.9 | ||
| 1154 | P | 31.9 | Very low | 32.1 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 143.7 | -166 | 33.6 | -33.3 | 0 | 0 | 0 | 114.2 | ||
| 1155 | A | 29.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 133.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1156 | K | 30.2 | Very low | 33 | Very low | 206 Ų | 206 | 150.4 Ų | 150.4 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 140.8 | 176.4 | -73.3 | 175.8 | 174.1 | 177.7 | 0 | 111.7 | ||
| 1157 | R | 30.8 | Very low | 33.5 | Very low | 234 Ų | 234 | 148.1 Ų | 148.1 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -108 | 120.2 | -179.2 | -160.4 | 177.8 | -161.7 | 172 | 3.5 | 108 | ||||
| 1158 | D | 35 | Very low | 34 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -83.4 | 123 | -179.2 | -85 | -41.7 | 0 | 0 | 0 | 112.3 | K1160 | D1158-K1160 PolarHBondContact O-N 2.79Š| ||
| 1159 | D | 33.8 | Very low | 34.4 | Very low | 145 Ų | 145 | 151.2 Ų | 151.2 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -77.9 | 59.6 | -174.1 | -77.1 | -43.9 | 0 | 0 | 0 | 114.7 | ||
| 1160 | K | 34.8 | Very low | 34.5 | Very low | 197 Ų | 197 | 149.8 Ų | 149.8 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -124 | 6.9 | 172.9 | -84.2 | -171.7 | 177.8 | 177.4 | 0 | 117.1 | D1158 | D1158-K1160 PolarHBondContact O-N 2.79Š| ||
| 1161 | Q | 35.5 | Very low | 34.8 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -100.8 | -11.8 | 175.2 | -97.8 | -179.3 | -21.8 | 0 | 0 | 115.6 | Q1163 K1164 | Q1161-Q1163 VanDerWaalsContact C-N 3.29Å; Q1161-Q1163 PolarHBondContact O-N 3.04Å; Q1161-K1164 PolarHBondContact O-N 3.11Å |
| 1162 | V | 40.2 | Very low | 34.8 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -70.3 | -23.5 | -176.7 | -178.9 | 0 | 0 | 0 | 0 | 112.8 | K1164 | V1162-K1164 VanDerWaalsContact C-N 3.34Å; V1162-K1164 PolarHBondContact O-N 3.41Å |
| 1163 | Q | 37.4 | Very low | 34.8 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -76.9 | -15.8 | 178.1 | -141.3 | 92.9 | 4.1 | 0 | 0 | 114 | Q1161 | Q1161-Q1163 VanDerWaalsContact C-N 3.29Å; Q1161-Q1163 PolarHBondContact O-N 3.04Å |
| 1164 | K | 36.7 | Very low | 34.9 | Very low | 170 Ų | 170 | 152.2 Ų | 152.2 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -90.9 | -20 | -175.8 | -121.2 | 177.1 | -177.1 | 177.6 | 0 | 113.7 | Q1161 V1162 | Q1161-K1164 PolarHBondContact O-N 3.11Å; V1162-K1164 VanDerWaalsContact C-N 3.34Å; V1162-K1164 PolarHBondContact O-N 3.41Å |
| 1165 | E | 36.3 | Very low | 35 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -83 | -24.2 | 179.5 | -80.9 | -175.2 | 148.8 | 0 | 0 | 113.6 | ||
| 1166 | T | 38.3 | Very low | 35.1 | Very low | 95 Ų | 95 | 155.1 Ų | 155.1 | 58% | 0.583 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -74.6 | -30.6 | 179.5 | -34.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1167 | N | 37.7 | Very low | 35.1 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -80.8 | -13.7 | 178.4 | -85 | -12.6 | 0 | 0 | 0 | 114.5 | ||
| 1168 | I | 40.6 | Very low | 35.1 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -87.9 | -27.1 | 175.4 | -62.6 | 175.7 | 0 | 0 | 0 | 110.8 | N1170 R1171 | I1168-N1170 VanDerWaalsContact C-N 3.31Å; I1168-N1170 PolarHBondContact O-N 3.19Å; I1168-R1171 PolarHBondContact O-N 3.15Å |
| 1169 | R | 35.4 | Very low | 34.8 | Very low | 205 Ų | 205 | 147.6 Ų | 147.6 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -72.7 | -20.7 | -178.3 | -154.3 | 169.6 | -169.3 | 171.7 | 1.2 | 114.3 | ||
| 1170 | N | 34.8 | Very low | 34.6 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -5.9 | 176.4 | -73.6 | -4.9 | 0 | 0 | 0 | 114.2 | I1168 | I1168-N1170 VanDerWaalsContact C-N 3.31Å; I1168-N1170 PolarHBondContact O-N 3.19Å |
| 1171 | R | 33.8 | Very low | 34.3 | Very low | 207 Ų | 207 | 144.6 Ų | 144.6 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -12.1 | 177.4 | -135.7 | 173.3 | -172.6 | 165.8 | 1.8 | 114.1 | I1168 | I1168-R1171 PolarHBondContact O-N 3.15Š|
| 1172 | S | 35.4 | Very low | 34.1 | Very low | 83 Ų | 83 | 145.4 Ų | 145.4 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 12.9 | 178.6 | 88.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1173 | K | 31.6 | Very low | 33.5 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 2.5 | -179.9 | -115.4 | -174.7 | -179.8 | -172.1 | 0 | 114.2 | ||
| 1174 | A | 32.7 | Very low | 33 | Very low | 81 Ų | 81 | 147 Ų | 147 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -111.8 | -9.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1175 | D | 33.8 | Very low | 32.7 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -102.8 | 0.3 | -172.9 | -66 | -20.4 | 0 | 0 | 0 | 114.4 | ||
| 1176 | D | 32.9 | Very low | 32.3 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -93.2 | 0.7 | -175.5 | -90.9 | -24.4 | 0 | 0 | 0 | 115 | ||
| 1177 | E | 30.3 | Very low | 31.8 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -121.4 | 2.6 | -174.4 | -84.5 | -174.9 | 167.6 | 0 | 0 | 117.6 | ||
| 1178 | N | 29.8 | Very low | 31.3 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -134 | 24.3 | -173.7 | -112.7 | 7.6 | 0 | 0 | 0 | 118.1 | ||
| 1179 | A | 29.9 | Very low | 30.7 | Very low | 97 Ų | 97 | 157.8 Ų | 157.8 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -118.4 | 16.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1180 | T | 28.3 | Very low | 30.3 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -91.5 | -8.1 | -175.2 | 36.6 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1181 | D | 29.1 | Very low | 30.3 | Very low | 154 Ų | 154 | 155.6 Ų | 155.6 | 82% | 0.824 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -133.4 | 8.8 | -169.7 | -80.9 | -41.3 | 0 | 0 | 0 | 119.3 | ||
| 1182 | E | 30.3 | Very low | 30.1 | Very low | 185 Ų | 185 | 153.1 Ų | 153.1 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | -124.9 | 72.4 | 179.8 | -73.6 | -169.7 | 158.1 | 0 | 0 | 113.9 | ||||
| 1183 | L | 28.5 | Very low | 29.8 | Very low | 175 Ų | 175 | 156.7 Ų | 156.7 | 92% | 0.916 | 86% | 0.86 | S | S | * | * | trans | -163.5 | 48.2 | 159.7 | -110.1 | 137.2 | 0 | 0 | 0 | 112.9 | ||||
| 1184 | C | 26.7 | Very low | 29.7 | Very low | 131 Ų | 131 | 154.7 Ų | 154.7 | 89% | 0.885 | 86% | 0.861 | S | S | * | * | trans | -137.4 | 50.3 | 168.5 | -80.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1185 | V | 29.8 | Very low | 29.5 | Very low | 146 Ų | 146 | 159 Ų | 159 | 89% | 0.885 | 87% | 0.872 | S | S | * | * | trans | -145.5 | 88.7 | 165.3 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1186 | S | 27.8 | Very low | 29.3 | Very low | 118 Ų | 118 | 160.6 Ų | 160.6 | 83% | 0.825 | 88% | 0.882 | S | S | * | * | trans | -162.5 | 66.6 | 158.4 | 69.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1187 | E | 28.2 | Very low | 29 | Very low | 194 Ų | 194 | 161 Ų | 161 | 91% | 0.907 | 89% | 0.886 | S | S | * | * | trans | -144.3 | 69.7 | 163.7 | -117.1 | 179.4 | -170.3 | 0 | 0 | 108.7 | ||||
| 1188 | K | 27.7 | Very low | 29 | Very low | 207 Ų | 207 | 160 Ų | 160 | 90% | 0.9 | 89% | 0.89 | S | S | * | * | trans | -170.5 | 70.7 | 166 | -109.4 | 172.5 | -169.9 | -177.7 | 0 | 109.8 | ||||
| 1189 | R | 27.7 | Very low | 28.9 | Very low | 243 Ų | 243 | 159.3 Ų | 159.3 | 92% | 0.917 | 89% | 0.889 | S | S | * | * | trans | -168.5 | 127.3 | 150.6 | -114.6 | 168.6 | -177.7 | 177.8 | 0.2 | 112.5 | ||||
| 1190 | S | 28.4 | Very low | 28.8 | Very low | 107 Ų | 107 | 164.5 Ų | 164.5 | 75% | 0.748 | 90% | 0.897 | S | S | * | * | trans | 68.8 | 120.9 | 155.1 | 67.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1191 | S | 33.3 | Very low | 28.9 | Very low | 190 Ų | 190 | 168.2 Ų | 168.2 | 100% | 1.329 | 91% | 0.909 | S | S | * | * | trans | 70.9 | 0 | 140.9 | 64.6 | 0 | 0 | 0 | 0 | 118.4 |
Retrieved 1,191 of 1,191 residues in 1337.9 ms
(Link to these results)