| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.5 | Very low | 73.3 | Confident | 243 Ų | 243 | 117 Ų | 117 | 100% | 1.197 | 57% | 0.574 | S | S | * | * | 0 | 120.8 | 0 | -74.6 | 163 | 87.1 | 0 | 0 | 107.4 | |||||
| 2 | G | 41.6 | Very low | 75.2 | Confident | 77 Ų | 77 | 107.8 Ų | 107.8 | 79% | 0.794 | 53% | 0.531 | S | S | * | . | trans | -58.4 | 142.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | K4 | G2-K4 PolarHBondContact O-N 3.46Å; G2-K4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | K | 53.6 | Low | 76.6 | Confident | 190 Ų | 190 | 106.6 Ų | 106.6 | 83% | 0.826 | 54% | 0.536 | S | S | * | . | trans | -55.6 | 117.9 | 174.9 | -73.2 | -170.3 | 175.2 | -165.4 | 0 | 108.2 | K5 | K3-K5 PolarHBondContact O-N 2.96Š| ||
| 4 | K | 65.2 | Low | 77.9 | Confident | 132 Ų | 132 | 99.1 Ų | 99.1 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | trans | -64.6 | 100.9 | 174.7 | -172.8 | 175.8 | -178.4 | 178.3 | 0 | 107.2 | G2 V6 V351 | G2-K4 PolarHBondContact O-N 3.46Å; G2-K4 VanDerWaalsContact O-N 3.09Å; K4-V6 PolarHBondContact O-N 3.19Å; K4-V6 VanDerWaalsContact O-N 3.16Å; K4-V351 HydrophobicContact CD-CG2 4.19Å | ||
| 5 | K | 69.9 | Low | 79.1 | Confident | 195 Ų | 195 | 93.9 Ų | 93.9 | 85% | 0.848 | 47% | 0.474 | S | S | * | . | trans | -71.9 | 108.5 | -179.2 | -168.4 | 176.1 | -177.9 | -179.1 | 0 | 108.5 | K3 | K3-K5 PolarHBondContact O-N 2.96Š| ||
| 6 | V | 81.6 | Confident | 80.2 | Confident | 21 Ų | 21 | 88.1 Ų | 88.1 | 13% | 0.127 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 140.4 | 172.7 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | K4 V351 S354 Q392 | K4-V6 PolarHBondContact O-N 3.19Å; K4-V6 VanDerWaalsContact O-N 3.16Å; V6-V351 HydrophobicContact CG2-CB 4.43Å; V6-V351 HydrophobicContact CG2-CG1 3.92Å; V6-V351 HydrophobicContact CG2-CG2 4.06Å; V6-S354 WeakPolarHBondContact CG2-OG 3.41Å; V6-Q392 HydrophobicContact CG1-CB 3.9Å; V6-Q392 HydrophobicContact CG1-CG 4.18Å |
| 7 | L | 80.8 | Confident | 81.2 | Confident | 121 Ų | 121 | 86.4 Ų | 86.4 | 63% | 0.634 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 131.8 | 178.4 | -69.2 | 167.7 | 0 | 0 | 0 | 109.1 | L9 | L7-L9 PolarHBondContact O-N 2.94Š|
| 8 | D | 90.1 | Very high | 82.2 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 121.7 | 170.2 | -61 | -27.8 | 0 | 0 | 0 | 107.9 | R390 Q392 | D8-R390 IonicContact OD1-NH1 3.22Å; D8-R390 PolarHBondContact OD1-NH1 2.98Å; D8-R390 WeakPolarHBondContact OD2-CD 3.44Å; D8-R390 IonicContact OD2-NH1 2.76Å; D8-Q392 VanDerWaalsContact OD1-CG 3.3Å; D8-Q392 WeakPolarHBondContact OD1-CG 3.39Å; D8-Q392 PolarHBondContact OD1-NE2 2.86Å |
| 9 | L | 92.9 | Very high | 83 | Confident | 18 Ų | 18 | 77.5 Ų | 77.5 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -41.3 | 174.9 | 176.3 | 66 | 0 | 0 | 0 | 110.6 | L7 V50 S60 L383 C391 V393 | L7-L9 PolarHBondContact O-N 2.94Å; L9-V50 HydrophobicContact CD1-CG1 4.42Å; L9-V50 HydrophobicContact CD2-CG1 4.27Å; L9-V50 HydrophobicContact CD2-CG2 3.96Å; L9-S60 PolarHBondContact O-OG 2.82Å; L9-L383 HydrophobicContact CD2-CD2 3.77Å; L9-C391 WeakPolarHBondContact CB-O 3.4Å; L9-C391 PolarHBondContact N-O 2.88Å; L9-V393 HydrophobicContact CB-CG2 3.68Å; L9-V393 HydrophobicContact CD1-CG2 4.06Å; L9-V393 HydrophobicContact CD2-CG2 3.54Å; L9-V393 HydrophobicContact CG-CG2 3.93Å |
| 10 | Y | 95.7 | Very high | 83.7 | Confident | 33 Ų | 33 | 75.2 Ų | 75.2 | 13% | 0.129 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 148.5 | -176.1 | 179.6 | -111 | 0 | 0 | 0 | 110.5 | A12 H46 L48 L62 C391 | Y10-A12 HydrophobicContact CE1-CB 3.82Å; Y10-H46 AromaticContact CE1-ND1 3.77Å; Y10-H46 AromaticContact CZ-ND1 3.62Å; Y10-H46 PolarHBondContact OH-CE1 2.77Å; Y10-H46 VanDerWaalsContact OH-CE1 3.25Å; Y10-H46 PolarHBondContact OH-ND1 2.95Å; Y10-L48 HydrophobicContact CD1-CD1 3.71Å; Y10-L48 HydrophobicContact CD1-CD2 4.07Å; Y10-L48 HydrophobicContact CD2-CD1 4.46Å; Y10-L48 HydrophobicContact CD2-CD2 3.88Å; Y10-L48 HydrophobicContact CE1-CD1 4.38Å; Y10-L48 HydrophobicContact CE1-CD2 4.07Å; Y10-L48 HydrophobicContact CE2-CD2 3.91Å; Y10-L48 HydrophobicContact CG-CD1 3.77Å; Y10-L48 HydrophobicContact CG-CD2 3.98Å; Y10-L62 HydrophobicContact CE2-CB 4.48Å; Y10-C391 PolarHBondContact N-O 2.89Å; Y10-C391 PolarHBondContact O-N 2.95Å |
| 11 | R | 96.1 | Very high | 84.3 | Confident | 180 Ų | 180 | 73 Ų | 73 | 68% | 0.679 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 117 | 171.6 | -170.7 | 173.3 | -173.1 | 176.1 | 0.8 | 109.7 | S389 R390 | R11-S389 CarbonylContact C-O 3.58Å; R11-S389 WeakPolarHBondContact CA-O 3.31Å; R11-R390 HydrophobicContact CG-CG 4.37Å |
| 12 | A | 95.1 | Very high | 86.8 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | trans | -79.9 | 156.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y10 F14 L16 S389 | Y10-A12 HydrophobicContact CE1-CB 3.82Å; A12-F14 HydrophobicContact CB-CD2 4.28Å; A12-F14 HydrophobicContact CB-CE2 4.17Å; A12-F14 HydrophobicContact CB-CZ 4.38Å; A12-F14 WeakPolarHBondContact CB-O 3.3Å; A12-F14 PolarHBondContact O-N 2.91Å; A12-L16 HydrophobicContact CB-CD1 4.23Å; A12-L16 HydrophobicContact CB-CD2 3.65Å; A12-L16 HydrophobicContact CB-CG 3.92Å; A12-S389 PolarHBondContact N-O 2.81Å; A12-S389 WeakPolarHBondContact O-CB 3.39Å | ||
| 13 | P | 93.6 | Very high | 88.8 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 60% | 0.597 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -79.2 | 6.5 | 172.6 | 31.4 | -30.9 | 0 | 0 | 0 | 113.4 | ||
| 14 | F | 94.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -147.8 | 158.5 | -179.2 | 47.1 | -99.9 | 0 | 0 | 0 | 111 | A12 L16 I41 K42 A44 H46 S389 | A12-F14 HydrophobicContact CB-CD2 4.28Å; A12-F14 HydrophobicContact CB-CE2 4.17Å; A12-F14 HydrophobicContact CB-CZ 4.38Å; A12-F14 WeakPolarHBondContact CB-O 3.3Å; A12-F14 PolarHBondContact O-N 2.91Å; F14-L16 HydrophobicContact CD2-CD2 4.23Å; F14-L16 HydrophobicContact CE2-CD2 3.81Å; F14-L16 PolarHBondContact O-N 2.74Å; F14-I41 HydrophobicContact CB-CG2 3.54Å; F14-K42 VanDerWaalsContact CB-O 3.22Å; F14-K42 WeakPolarHBondContact CB-O 3.34Å; F14-K42 WeakPolarHBondContact CD1-O 3.43Å; F14-K42 WeakPolarHBondContact CG-O 3.36Å; F14-A44 HydrophobicContact CE1-CB 3.6Å; F14-A44 HydrophobicContact CZ-CB 3.74Å; F14-A44 WeakPolarHBondContact CZ-O 3.39Å; F14-H46 AromaticContact CE1-CD2 3.96Å; F14-H46 AromaticContact CE1-CE1 3.6Å; F14-H46 AromaticContact CE1-NE2 3.39Å; F14-H46 WeakPolarHBondContact CE1-NE2 3.28Å; F14-H46 AromaticContact CZ-CD2 3.67Å; F14-H46 AromaticContact CZ-CE1 3.76Å; F14-H46 AromaticContact CZ-CG 3.94Å; F14-H46 AromaticContact CZ-ND1 3.97Å; F14-H46 AromaticContact CZ-NE2 3.59Å; F14-S389 WeakPolarHBondContact O-CB 3.44Å; F14-S389 PolarHBondContact O-OG 2.86Å; F14-S389 VanDerWaalsContact O-OG 3.1Å |
| 15 | P | 95.8 | Very high | 91.3 | Very high | 21 Ų | 21 | 50.9 Ų | 50.9 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | trans | -55.1 | 130.8 | 173.2 | -26.1 | 35.7 | 0 | 0 | 0 | 111.7 | G32 G33 V387 | P15-G32 CarbonylContact O-C 3.56Å; P15-G32 WeakPolarHBondContact O-CA 3.39Å; P15-G33 PolarHBondContact O-N 2.93Å; P15-V387 HydrophobicContact CB-CG1 4.09Å; P15-V387 WeakPolarHBondContact CB-O 3.45Å | ||
| 16 | L | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 134.8 | 177 | -66.2 | 176.2 | 0 | 0 | 0 | 109.4 | A12 F14 T360 V385 A386 C391 | A12-L16 HydrophobicContact CB-CD1 4.23Å; A12-L16 HydrophobicContact CB-CD2 3.65Å; A12-L16 HydrophobicContact CB-CG 3.92Å; F14-L16 HydrophobicContact CD2-CD2 4.23Å; F14-L16 HydrophobicContact CE2-CD2 3.81Å; F14-L16 PolarHBondContact O-N 2.74Å; L16-T360 PolarHBondContact O-OG1 2.83Å; L16-V385 HydrophobicContact CB-CB 3.82Å; L16-V385 HydrophobicContact CB-CG1 4.4Å; L16-V385 HydrophobicContact CB-CG2 4.36Å; L16-V385 HydrophobicContact CD1-CB 3.99Å; L16-V385 HydrophobicContact CD1-CG1 3.75Å; L16-A386 PolarHBondContact N-O 3.39Å; L16-A386 CarbonylContact O-C 3.53Å; L16-C391 HydrophobicContact CD1-CB 4.25Å |
| 17 | Y | 97.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 40.8 Ų | 40.8 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -33.5 | 176.2 | -65.6 | -57.9 | 0 | 0 | 0 | 112.2 | A31 G33 A72 I74 T360 V387 | Y17-A31 PolarHBondContact N-O 2.95Å; Y17-G33 VanDerWaalsContact CE2-O 3.25Å; Y17-G33 WeakPolarHBondContact CE2-O 3.15Å; Y17-G33 PolarHBondContact OH-O 2.72Å; Y17-A72 HydrophobicContact CE2-CB 4.22Å; Y17-I74 HydrophobicContact CD2-CD1 3.66Å; Y17-I74 HydrophobicContact CE2-CD1 3.76Å; Y17-I74 HydrophobicContact CG-CD1 4.1Å; Y17-T360 VanDerWaalsContact C-OG1 3.27Å; Y17-T360 WeakPolarHBondContact CA-OG1 3.42Å; Y17-T360 HydrophobicContact CD1-CG2 4.11Å; Y17-T360 WeakPolarHBondContact O-CB 3.41Å; Y17-T360 PolarHBondContact O-OG1 3.02Å; Y17-V387 HydrophobicContact CE1-CG2 4.23Å |
| 18 | T | 98 | Very high | 93.3 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 151 | -176.1 | -174 | 0 | 0 | 0 | 0 | 113 | T30 A31 T73 M76 D361 | T18-T30 WeakPolarHBondContact O-CA 3.39Å; T18-A31 HydrophobicContact CG2-CB 3.8Å; T18-A31 PolarHBondContact N-O 2.91Å; T18-A31 VanDerWaalsContact N-O 3.14Å; T18-A31 PolarHBondContact O-N 3.38Å; T18-T73 HydrophobicContact CG2-CG2 4.36Å; T18-M76 HydrophobicContact CG2-CB 3.54Å; T18-M76 HydrophobicContact CG2-CE 4.23Å; T18-D361 WeakPolarHBondContact CA-OD2 3.5Å; T18-D361 PolarHBondContact OG1-OD2 2.82Å |
| 19 | V | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 134.4 | 175.8 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | V28 I29 T30 D361 V363 L383 V385 | V19-V28 HydrophobicContact CG2-CG1 3.91Å; V19-I29 CarbonylContact C-O 3.6Å; V19-I29 WeakPolarHBondContact CA-O 3.39Å; V19-T30 HydrophobicContact CB-CG2 4.28Å; V19-T30 HydrophobicContact CG2-CG2 3.81Å; V19-D361 HydrophobicContact CG1-CB 4.15Å; V19-D361 PolarHBondContact N-OD2 2.88Å; V19-V363 HydrophobicContact CB-CG1 4.27Å; V19-V363 HydrophobicContact CG1-CB 4.22Å; V19-V363 HydrophobicContact CG1-CG1 3.64Å; V19-V363 HydrophobicContact CG2-CG1 3.81Å; V19-L383 HydrophobicContact CG2-CD1 4.41Å; V19-V385 HydrophobicContact CB-CB 4.49Å; V19-V385 HydrophobicContact CB-CG1 3.75Å; V19-V385 HydrophobicContact CB-CG2 3.88Å; V19-V385 HydrophobicContact CG1-CB 4.46Å; V19-V385 HydrophobicContact CG1-CG1 4.01Å; V19-V385 HydrophobicContact CG1-CG2 3.69Å; V19-V385 HydrophobicContact CG2-CG1 4.24Å |
| 20 | K | 97.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 30.5 Ų | 30.5 | 14% | 0.135 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158 | 172.8 | -61.1 | -72.2 | 161 | -97.7 | 0 | 110 | I29 M76 V78 D361 | K20-I29 PolarHBondContact N-O 2.87Å; K20-I29 PolarHBondContact O-N 3.46Å; K20-M76 HydrophobicContact CB-CE 3.88Å; K20-M76 WeakPolarHBondContact CE-O 3.45Å; K20-M76 HydrophobicContact CG-CB 4.35Å; K20-M76 HydrophobicContact CG-CE 3.83Å; K20-M76 HydrophobicContact CG-CG 4.29Å; K20-V78 HydrophobicContact CB-CB 4.2Å; K20-V78 HydrophobicContact CB-CG2 3.58Å; K20-V78 HydrophobicContact CG-CG2 4.04Å; K20-D361 IonicContact NZ-OD1 3.25Å; K20-D361 PolarHBondContact NZ-OD1 2.98Å; K20-D361 IonicContact NZ-OD2 3.3Å; K20-D361 PolarHBondContact NZ-OD2 2.75Å |
| 21 | V | 94.6 | Very high | 94 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 17% | 0.17 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.1 | 179.9 | -173.4 | 0 | 0 | 0 | 0 | 107.4 | V28 V363 L365 P366 M369 L383 | V21-V28 HydrophobicContact CG1-CG2 4.42Å; V21-V28 HydrophobicContact CG2-CG2 4.24Å; V21-V363 HydrophobicContact CG2-CB 4.47Å; V21-V363 HydrophobicContact CG2-CG1 3.64Å; V21-V363 HydrophobicContact CG2-CG2 3.94Å; V21-L365 HydrophobicContact CG1-CD2 4.39Å; V21-L365 HydrophobicContact CG2-CD2 4.19Å; V21-P366 HydrophobicContact CG1-CG 4.21Å; V21-M369 HydrophobicContact CG1-CE 3.26Å; V21-M369 HydrophobicContact CG1-SD 3.6Å; V21-L383 HydrophobicContact CG2-CD1 4.16Å |
| 22 | D | 92 | Very high | 93.9 | Very high | 9 Ų | 9 | 20.3 Ų | 20.3 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 107.8 | 169.3 | 177.3 | 16.4 | 0 | 0 | 0 | 108.9 | T24 T25 G26 L27 V78 F96 | D22-T24 VanDerWaalsContact CG-OG1 3.26Å; D22-T24 PolarHBondContact O-N 2.88Å; D22-T24 PolarHBondContact OD1-N 2.89Å; D22-T24 PolarHBondContact OD1-OG1 3.45Å; D22-T24 PolarHBondContact OD2-OG1 3.28Å; D22-T24 VanDerWaalsContact OD2-OG1 3.09Å; D22-T25 WeakPolarHBondContact CB-OG1 3.43Å; D22-T25 VanDerWaalsContact CG-OG1 3.27Å; D22-T25 VanDerWaalsContact OD2-CB 3.28Å; D22-T25 WeakPolarHBondContact OD2-CB 3.33Å; D22-T25 WeakPolarHBondContact OD2-CG2 3.41Å; D22-T25 PolarHBondContact OD2-N 3.29Å; D22-T25 PolarHBondContact OD2-OG1 2.83Å; D22-G26 VanDerWaalsContact O-CA 3.28Å; D22-G26 WeakPolarHBondContact O-CA 3.22Å; D22-G26 PolarHBondContact O-N 3.17Å; D22-L27 PolarHBondContact N-O 3.43Å; D22-L27 PolarHBondContact O-N 3.25Å; D22-V78 HydrophobicContact CB-CG1 4.07Å; D22-F96 HydrophobicContact CB-CZ 4.22Å; D22-F96 WeakPolarHBondContact OD2-CZ 3.33Å |
| 23 | A | 85.1 | Confident | 93.9 | Very high | 47 Ų | 47 | 20 Ų | 20 | 39% | 0.388 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P366 | A23-P366 HydrophobicContact CB-CB 4.21Å; A23-P366 HydrophobicContact CB-CG 3.94Å |
| 24 | T | 85.9 | Confident | 93.5 | Very high | 96 Ų | 96 | 16.8 Ų | 16.8 | 59% | 0.589 | 10% | 0.104 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -53.2 | -175.8 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | D22 | D22-T24 VanDerWaalsContact CG-OG1 3.26Å; D22-T24 PolarHBondContact O-N 2.88Å; D22-T24 PolarHBondContact OD1-N 2.89Å; D22-T24 PolarHBondContact OD1-OG1 3.45Å; D22-T24 PolarHBondContact OD2-OG1 3.28Å; D22-T24 VanDerWaalsContact OD2-OG1 3.09Å |
| 25 | T | 85.2 | Confident | 92.4 | Very high | 27 Ų | 27 | 17.5 Ų | 17.5 | 17% | 0.166 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -13.8 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 113.3 | D22 L27 F96 K370 | D22-T25 WeakPolarHBondContact CB-OG1 3.43Å; D22-T25 VanDerWaalsContact CG-OG1 3.27Å; D22-T25 VanDerWaalsContact OD2-CB 3.28Å; D22-T25 WeakPolarHBondContact OD2-CB 3.33Å; D22-T25 WeakPolarHBondContact OD2-CG2 3.41Å; D22-T25 PolarHBondContact OD2-N 3.29Å; D22-T25 PolarHBondContact OD2-OG1 2.83Å; T25-L27 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 2.76Å; T25-L27 WeakPolarHBondContact OG1-CG 3.44Å; T25-F96 HydrophobicContact CG2-CE2 3.96Å; T25-K370 WeakPolarHBondContact O-CE 3.35Å |
| 26 | G | 85.8 | Confident | 90.8 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 20.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D22 M369 | D22-G26 VanDerWaalsContact O-CA 3.28Å; D22-G26 WeakPolarHBondContact O-CA 3.22Å; D22-G26 PolarHBondContact O-N 3.17Å; G26-M369 WeakPolarHBondContact O-CE 3.23Å |
| 27 | L | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 139.9 | -177.9 | -63.8 | 175.7 | 0 | 0 | 0 | 111.3 | D22 T25 I29 F47 L63 F96 I150 | D22-L27 PolarHBondContact N-O 3.43Å; D22-L27 PolarHBondContact O-N 3.25Å; T25-L27 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 2.76Å; T25-L27 WeakPolarHBondContact OG1-CG 3.44Å; L27-I29 HydrophobicContact CB-CG1 4.41Å; L27-F47 HydrophobicContact CD1-CD1 4.19Å; L27-L63 HydrophobicContact CD2-CD1 3.69Å; L27-F96 HydrophobicContact CD1-CD2 4.18Å; L27-F96 HydrophobicContact CD1-CE2 4.02Å; L27-I150 HydrophobicContact CD1-CD1 3.74Å; L27-I150 HydrophobicContact CD2-CD1 4.2Å |
| 28 | V | 95.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.4 | 165.4 | 176.6 | 0 | 0 | 0 | 0 | 107.7 | V19 V21 T30 L48 V50 L365 L383 | V19-V28 HydrophobicContact CG2-CG1 3.91Å; V21-V28 HydrophobicContact CG1-CG2 4.42Å; V21-V28 HydrophobicContact CG2-CG2 4.24Å; V28-T30 HydrophobicContact CG1-CG2 4.37Å; V28-L48 HydrophobicContact CB-CB 4.25Å; V28-L48 HydrophobicContact CG1-CD1 4.46Å; V28-L48 PolarHBondContact N-O 2.84Å; V28-L48 WeakPolarHBondContact O-CB 3.28Å; V28-L48 PolarHBondContact O-N 3.33Å; V28-V50 HydrophobicContact CB-CG2 3.87Å; V28-V50 HydrophobicContact CG2-CB 4.08Å; V28-V50 HydrophobicContact CG2-CG2 3.47Å; V28-V50 VanDerWaalsContact CG2-CG2 3.47Å; V28-L365 HydrophobicContact CG2-CD2 4.2Å; V28-L383 HydrophobicContact CB-CD1 4.43Å; V28-L383 HydrophobicContact CG1-CD1 3.62Å; V28-L383 HydrophobicContact CG2-CD1 3.89Å |
| 29 | I | 97.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.7 | -176 | -52.2 | 173.4 | 0 | 0 | 0 | 107.3 | V19 K20 L27 V45 H46 F47 M76 V78 I83 F96 | V19-I29 CarbonylContact C-O 3.6Å; V19-I29 WeakPolarHBondContact CA-O 3.39Å; K20-I29 PolarHBondContact N-O 2.87Å; K20-I29 PolarHBondContact O-N 3.46Å; L27-I29 HydrophobicContact CB-CG1 4.41Å; I29-V45 HydrophobicContact CG2-CG1 3.42Å; I29-V45 VanDerWaalsContact CG2-CG1 3.42Å; I29-H46 WeakPolarHBondContact CA-O 2.74Å; I29-F47 HydrophobicContact CD1-CD1 4.12Å; I29-F47 HydrophobicContact CD1-CE1 3.89Å; I29-F47 HydrophobicContact CG1-CD1 3.9Å; I29-F47 HydrophobicContact CG1-CE1 4.12Å; I29-F47 HydrophobicContact CG2-CD1 4.49Å; I29-F47 HydrophobicContact CG2-CE1 4.35Å; I29-M76 HydrophobicContact CB-CE 3.89Å; I29-M76 HydrophobicContact CG2-CE 3.64Å; I29-M76 HydrophobicContact CG2-SD 3.77Å; I29-M76 WeakPolarHBondContact O-CE 3.45Å; I29-V78 HydrophobicContact CD1-CG1 4.07Å; I29-V78 HydrophobicContact CD1-CG2 4.12Å; I29-I83 HydrophobicContact CD1-CD1 4.03Å; I29-I83 HydrophobicContact CD1-CG1 4.28Å; I29-I83 HydrophobicContact CG2-CD1 4.22Å; I29-F96 HydrophobicContact CD1-CE1 3.99Å; I29-F96 HydrophobicContact CD1-CE2 4.45Å; I29-F96 HydrophobicContact CD1-CZ 3.89Å |
| 30 | T | 97.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 138.8 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 108.9 | T18 V19 V28 H46 L48 V385 | T18-T30 WeakPolarHBondContact O-CA 3.39Å; V19-T30 HydrophobicContact CB-CG2 4.28Å; V19-T30 HydrophobicContact CG2-CG2 3.81Å; V28-T30 HydrophobicContact CG1-CG2 4.37Å; T30-H46 PolarHBondContact N-O 2.91Å; T30-H46 PolarHBondContact O-N 3.35Å; T30-L48 HydrophobicContact CG2-CD1 4Å; T30-V385 HydrophobicContact CG2-CG1 4.25Å |
| 31 | A | 97.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y17 T18 A44 V45 T73 M76 | Y17-A31 PolarHBondContact N-O 2.95Å; T18-A31 HydrophobicContact CG2-CB 3.8Å; T18-A31 PolarHBondContact N-O 2.91Å; T18-A31 VanDerWaalsContact N-O 3.14Å; T18-A31 PolarHBondContact O-N 3.38Å; A31-A44 WeakPolarHBondContact CA-O 3.43Å; A31-V45 HydrophobicContact CB-CB 4.43Å; A31-V45 HydrophobicContact CB-CG1 4.4Å; A31-V45 HydrophobicContact CB-CG2 3.94Å; A31-T73 HydrophobicContact CB-CG2 3.62Å; A31-M76 HydrophobicContact CB-SD 4.41Å |
| 32 | G | 95.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -164.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | P15 A44 | P15-G32 CarbonylContact O-C 3.56Å; P15-G32 WeakPolarHBondContact O-CA 3.39Å; G32-A44 PolarHBondContact N-O 2.99Å; G32-A44 PolarHBondContact O-N 3.1Å |
| 33 | G | 93.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | 167.9 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P15 Y17 N43 | P15-G33 PolarHBondContact O-N 2.93Å; Y17-G33 VanDerWaalsContact CE2-O 3.25Å; Y17-G33 WeakPolarHBondContact CE2-O 3.15Å; Y17-G33 PolarHBondContact OH-O 2.72Å; G33-N43 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 34 | G | 85.8 | Confident | 83.1 | Confident | 25 Ų | 25 | 43 Ų | 43 | 26% | 0.258 | 26% | 0.258 | S | S | . | . | trans | -100.7 | 6.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | N43 | G34-N43 PolarHBondContact N-OD1 3.32Š| ||
| 35 | G | 72.1 | Confident | 83.6 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 79.8 | -165.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S37 N43 | G35-S37 PolarHBondContact O-N 2.8Å; G35-S37 VanDerWaalsContact O-N 3.14Å; G35-N43 PolarHBondContact N-OD1 3.38Å; G35-N43 PolarHBondContact O-ND2 3.04Å |
| 36 | P | 61.9 | Low | 84.2 | Confident | 101 Ų | 101 | 37.4 Ų | 37.4 | 66% | 0.656 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -57.4 | 121.9 | 180 | 18.9 | -28.6 | 0 | 0 | 0 | 110 | K38 | P36-K38 PolarHBondContact O-N 2.87Š|
| 37 | S | 52.7 | Low | 84.7 | Confident | 64 Ų | 64 | 37.2 Ų | 37.2 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -64.2 | 26.7 | -150.7 | 58 | 0 | 0 | 0 | 0 | 118.8 | G35 T39 G40 | G35-S37 PolarHBondContact O-N 2.8Å; G35-S37 VanDerWaalsContact O-N 3.14Å; S37-T39 PolarHBondContact O-N 3.05Å; S37-T39 VanDerWaalsContact O-N 3.08Å; S37-G40 PolarHBondContact O-N 2.94Å |
| 38 | K | 54 | Low | 84.8 | Confident | 208 Ų | 208 | 37.2 Ų | 37.2 | 90% | 0.904 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.2 | 178.1 | -64.4 | -173.9 | -179 | 178.9 | 0 | 113.8 | P36 | P36-K38 PolarHBondContact O-N 2.87Š|
| 39 | T | 61.8 | Low | 84.7 | Confident | 93 Ų | 93 | 38 Ų | 38 | 57% | 0.571 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -9.8 | -176.2 | 58 | 0 | 0 | 0 | 0 | 114.3 | S37 I41 | S37-T39 PolarHBondContact O-N 3.05Å; S37-T39 VanDerWaalsContact O-N 3.08Å; T39-I41 PolarHBondContact O-N 3.39Å |
| 40 | G | 72.8 | Confident | 84.4 | Confident | 68 Ų | 68 | 38.3 Ų | 38.3 | 70% | 0.701 | 23% | 0.228 | S | C | * | . | trans | 75.3 | 3.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S37 | S37-G40 PolarHBondContact O-N 2.94Š| ||
| 41 | I | 82 | Confident | 83.9 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | trans | -79.5 | 125.7 | 173.8 | -60 | 174.8 | 0 | 0 | 0 | 108.5 | F14 T39 | F14-I41 HydrophobicContact CB-CG2 3.54Å; T39-I41 PolarHBondContact O-N 3.39Å | ||
| 42 | K | 86.4 | Confident | 83.3 | Confident | 137 Ų | 137 | 47.1 Ų | 47.1 | 60% | 0.596 | 27% | 0.27 | S | S | * | . | trans | -70.9 | 149.8 | 178.9 | -64.8 | -166.8 | 174.6 | -160.3 | 0 | 111.7 | F14 | F14-K42 VanDerWaalsContact CB-O 3.22Å; F14-K42 WeakPolarHBondContact CB-O 3.34Å; F14-K42 WeakPolarHBondContact CD1-O 3.43Å; F14-K42 WeakPolarHBondContact CG-O 3.36Å | ||
| 43 | N | 93.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -105.5 | 128.4 | 168.3 | -53.2 | -59.8 | 0 | 0 | 0 | 107.5 | G33 G34 G35 D67 T68 D69 T70 R71 | G33-N43 WeakPolarHBondContact CA-OD1 3.42Å; G34-N43 PolarHBondContact N-OD1 3.32Å; G35-N43 PolarHBondContact N-OD1 3.38Å; G35-N43 PolarHBondContact O-ND2 3.04Å; N43-D67 VanDerWaalsContact O-OD1 3.07Å; N43-T68 VanDerWaalsContact C-OG1 3.26Å; N43-T68 WeakPolarHBondContact CB-OG1 3.3Å; N43-T68 PolarHBondContact O-N 2.8Å; N43-T68 PolarHBondContact O-OG1 2.74Å; N43-D69 PolarHBondContact ND2-O 2.85Å; N43-T70 PolarHBondContact ND2-O 2.95Å; N43-R71 VanDerWaalsContact CB-O 3.26Å; N43-R71 WeakPolarHBondContact CB-O 3.39Å | ||
| 44 | A | 94.9 | Very high | 81.8 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 162.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F14 A31 G32 H66 | F14-A44 HydrophobicContact CE1-CB 3.6Å; F14-A44 HydrophobicContact CZ-CB 3.74Å; F14-A44 WeakPolarHBondContact CZ-O 3.39Å; A31-A44 WeakPolarHBondContact CA-O 3.43Å; G32-A44 PolarHBondContact N-O 2.99Å; G32-A44 PolarHBondContact O-N 3.1Å; A44-H66 CarbonylContact C-O 3.57Å; A44-H66 WeakPolarHBondContact CA-O 3.39Å; A44-H66 VanDerWaalsContact CB-O 3.23Å; A44-H66 WeakPolarHBondContact CB-O 3.3Å |
| 45 | V | 97.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.3 | 166.6 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | I29 A31 F47 H66 T68 I83 M94 | I29-V45 HydrophobicContact CG2-CG1 3.42Å; I29-V45 VanDerWaalsContact CG2-CG1 3.42Å; A31-V45 HydrophobicContact CB-CB 4.43Å; A31-V45 HydrophobicContact CB-CG1 4.4Å; A31-V45 HydrophobicContact CB-CG2 3.94Å; V45-F47 HydrophobicContact CB-CE2 4.43Å; V45-F47 HydrophobicContact CG1-CE2 3.9Å; V45-F47 HydrophobicContact CG1-CZ 4.15Å; V45-H66 HydrophobicContact CB-CB 4.41Å; V45-H66 PolarHBondContact N-O 3.36Å; V45-H66 PolarHBondContact O-N 2.89Å; V45-T68 HydrophobicContact CG2-CG2 3.91Å; V45-I83 HydrophobicContact CG1-CD1 4.39Å; V45-M94 HydrophobicContact CG2-CE 4.31Å |
| 46 | H | 97.4 | Very high | 81.2 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.028 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.4 | -179.5 | -76.9 | -163.3 | 0 | 0 | 0 | 111 | Y10 F14 I29 T30 L62 S65 | Y10-H46 AromaticContact CE1-ND1 3.77Å; Y10-H46 AromaticContact CZ-ND1 3.62Å; Y10-H46 PolarHBondContact OH-CE1 2.77Å; Y10-H46 VanDerWaalsContact OH-CE1 3.25Å; Y10-H46 PolarHBondContact OH-ND1 2.95Å; F14-H46 AromaticContact CE1-CD2 3.96Å; F14-H46 AromaticContact CE1-CE1 3.6Å; F14-H46 AromaticContact CE1-NE2 3.39Å; F14-H46 WeakPolarHBondContact CE1-NE2 3.28Å; F14-H46 AromaticContact CZ-CD2 3.67Å; F14-H46 AromaticContact CZ-CE1 3.76Å; F14-H46 AromaticContact CZ-CG 3.94Å; F14-H46 AromaticContact CZ-ND1 3.97Å; F14-H46 AromaticContact CZ-NE2 3.59Å; I29-H46 WeakPolarHBondContact CA-O 2.74Å; T30-H46 PolarHBondContact N-O 2.91Å; T30-H46 PolarHBondContact O-N 3.35Å; H46-L62 HydrophobicContact CB-CD1 3.81Å; H46-S65 PolarHBondContact CD2-OG 3.4Å; H46-S65 PolarHBondContact NE2-OG 2.97Å |
| 47 | F | 96.7 | Very high | 82.2 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117.3 | 178 | -62.8 | -102.1 | 0 | 0 | 0 | 109.3 | L27 I29 V45 L63 H64 H66 I83 F96 I150 V152 | L27-F47 HydrophobicContact CD1-CD1 4.19Å; I29-F47 HydrophobicContact CD1-CD1 4.12Å; I29-F47 HydrophobicContact CD1-CE1 3.89Å; I29-F47 HydrophobicContact CG1-CD1 3.9Å; I29-F47 HydrophobicContact CG1-CE1 4.12Å; I29-F47 HydrophobicContact CG2-CD1 4.49Å; I29-F47 HydrophobicContact CG2-CE1 4.35Å; V45-F47 HydrophobicContact CB-CE2 4.43Å; V45-F47 HydrophobicContact CG1-CE2 3.9Å; V45-F47 HydrophobicContact CG1-CZ 4.15Å; F47-L63 PolarHBondContact O-N 2.87Å; F47-H64 HydrophobicContact CB-CB 4.25Å; F47-H64 HydrophobicContact CD2-CB 4.11Å; F47-H64 AromaticContact CD2-CD2 3.84Å; F47-H64 AromaticContact CE2-CD2 3.97Å; F47-H64 HydrophobicContact CG-CB 4.45Å; F47-H64 PolarHBondContact N-O 2.79Å; F47-H64 PolarHBondContact O-N 2.9Å; F47-H66 HydrophobicContact CE2-CB 4.27Å; F47-I83 HydrophobicContact CE1-CD1 3.72Å; F47-I83 HydrophobicContact CZ-CD1 3.5Å; F47-I83 VanDerWaalsContact CZ-CD1 3.5Å; F47-F96 HydrophobicContact CD1-CD2 4.48Å; F47-F96 HydrophobicContact CE1-CB 3.8Å; F47-F96 HydrophobicContact CE1-CD1 4.08Å; F47-F96 AromaticContact CE1-CD2 3.99Å; F47-F96 HydrophobicContact CE1-CD2 3.99Å; F47-F96 AromaticContact CE1-CG 3.7Å; F47-F96 HydrophobicContact CE1-CG 3.7Å; F47-F96 HydrophobicContact CZ-CB 4.08Å; F47-F96 HydrophobicContact CZ-CG 4.38Å; F47-I150 HydrophobicContact CB-CD1 3.51Å; F47-I150 HydrophobicContact CD1-CD1 4.18Å; F47-I150 HydrophobicContact CD1-CG2 4.36Å; F47-I150 HydrophobicContact CG-CD1 3.99Å; F47-I150 HydrophobicContact CG-CG2 4.47Å; F47-V152 HydrophobicContact CD2-CG2 4.47Å; F47-V152 HydrophobicContact CE2-CG2 3.6Å; F47-V152 HydrophobicContact CZ-CG2 3.6Å |
| 48 | L | 95.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.9 | -175.7 | -50.1 | 174.3 | 0 | 0 | 0 | 109.5 | Y10 V28 T30 V50 S61 L62 | Y10-L48 HydrophobicContact CD1-CD1 3.71Å; Y10-L48 HydrophobicContact CD1-CD2 4.07Å; Y10-L48 HydrophobicContact CD2-CD1 4.46Å; Y10-L48 HydrophobicContact CD2-CD2 3.88Å; Y10-L48 HydrophobicContact CE1-CD1 4.38Å; Y10-L48 HydrophobicContact CE1-CD2 4.07Å; Y10-L48 HydrophobicContact CE2-CD2 3.91Å; Y10-L48 HydrophobicContact CG-CD1 3.77Å; Y10-L48 HydrophobicContact CG-CD2 3.98Å; V28-L48 HydrophobicContact CB-CB 4.25Å; V28-L48 HydrophobicContact CG1-CD1 4.46Å; V28-L48 PolarHBondContact N-O 2.84Å; V28-L48 WeakPolarHBondContact O-CB 3.28Å; V28-L48 PolarHBondContact O-N 3.33Å; T30-L48 HydrophobicContact CG2-CD1 4Å; L48-V50 HydrophobicContact CB-CG2 4.41Å; L48-S61 CarbonylContact C-O 3.57Å; L48-S61 VanDerWaalsContact CA-O 3.3Å; L48-S61 WeakPolarHBondContact CA-O 3Å; L48-L62 HydrophobicContact CD2-CB 4.21Å; L48-L62 HydrophobicContact CD2-CD1 3.75Å |
| 49 | D | 92.2 | Very high | 85.7 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.4 | 162.6 | -171.1 | 53.5 | 0 | 0 | 0 | 107.9 | Q51 S60 S61 L63 K370 | D49-Q51 PolarHBondContact OD2-NE2 2.9Å; D49-S60 CarbonylContact O-C 3.56Å; D49-S60 VanDerWaalsContact O-CA 3.28Å; D49-S60 WeakPolarHBondContact O-CA 3.44Å; D49-S61 PolarHBondContact N-O 2.93Å; D49-S61 PolarHBondContact O-N 3.16Å; D49-L63 HydrophobicContact CB-CD1 3.75Å; D49-L63 HydrophobicContact CB-CD2 4.23Å; D49-L63 HydrophobicContact CB-CG 3.88Å; D49-K370 IonicContact OD1-NZ 2.8Å; D49-K370 PolarHBondContact OD1-NZ 3.35Å |
| 50 | V | 91 | Very high | 87.2 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.6 | -178.2 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | L9 V28 L48 Y58 S59 I374 | L9-V50 HydrophobicContact CD1-CG1 4.42Å; L9-V50 HydrophobicContact CD2-CG1 4.27Å; L9-V50 HydrophobicContact CD2-CG2 3.96Å; V28-V50 HydrophobicContact CB-CG2 3.87Å; V28-V50 HydrophobicContact CG2-CB 4.08Å; V28-V50 HydrophobicContact CG2-CG2 3.47Å; V28-V50 VanDerWaalsContact CG2-CG2 3.47Å; L48-V50 HydrophobicContact CB-CG2 4.41Å; V50-Y58 HydrophobicContact CG1-CD1 4.02Å; V50-S59 WeakPolarHBondContact CA-O 3.5Å; V50-I374 HydrophobicContact CG1-CD1 4.36Å; V50-I374 VanDerWaalsContact O-CD1 3.28Å; V50-I374 WeakPolarHBondContact O-CD1 3.29Å |
| 51 | Q | 88.4 | Confident | 88.1 | Confident | 112 Ų | 112 | 51.6 Ų | 51.6 | 52% | 0.523 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.9 | -178.6 | -60.3 | -174.9 | 11.1 | 0 | 0 | 110.5 | D49 Y58 S59 | D49-Q51 PolarHBondContact OD2-NE2 2.9Å; Q51-Y58 WeakPolarHBondContact O-CA 3.36Å; Q51-S59 PolarHBondContact N-O 2.78Å; Q51-S59 PolarHBondContact O-N 3.21Å |
| 52 | M | 84.5 | Confident | 88.7 | Confident | 74 Ų | 74 | 52.4 Ų | 52.4 | 37% | 0.365 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 110.3 | 174 | -172.3 | 175.2 | 61 | 0 | 0 | 109 | G54 Q57 Y58 | M52-G54 WeakPolarHBondContact CG-O 3.21Å; M52-Q57 WeakPolarHBondContact CA-O 3.28Å; M52-Q57 WeakPolarHBondContact CG-O 3.16Å; M52-Y58 HydrophobicContact CB-CE1 4.4Å |
| 53 | V | 83.4 | Confident | 89 | Confident | 105 Ų | 105 | 48.3 Ų | 48.3 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -6.3 | -173.8 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | Q57 S59 | V53-Q57 PolarHBondContact N-O 2.84Å; V53-S59 VanDerWaalsContact CG2-CB 3.45Å |
| 54 | G | 74.9 | Confident | 89.1 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 32% | 0.32 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | -166.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M52 N56 | M52-G54 WeakPolarHBondContact CG-O 3.21Å; G54-N56 PolarHBondContact O-N 3.31Å |
| 55 | K | 71 | Confident | 89.1 | Confident | 197 Ų | 197 | 53.6 Ų | 53.6 | 86% | 0.857 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 101.1 | 175.7 | -72.2 | -178.1 | -178.7 | 174.4 | 0 | 109.7 | Q57 | K55-Q57 VanDerWaalsContact C-N 3.26Å; K55-Q57 PolarHBondContact O-N 2.77Å |
| 56 | N | 72.9 | Confident | 89 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 24.7 | 179.5 | -52.4 | -15 | 0 | 0 | 0 | 114.6 | G54 N378 T397 | G54-N56 PolarHBondContact O-N 3.31Å; N56-N378 PolarHBondContact ND2-OD1 3.5Å; N56-N378 VanDerWaalsContact ND2-OD1 3.17Å; N56-N378 VanDerWaalsContact OD1-CG 3.31Å; N56-N378 PolarHBondContact OD1-ND2 2.83Å; N56-N378 PolarHBondContact OD1-OD1 2.86Å; N56-N378 VanDerWaalsContact OD1-OD1 3.06Å; N56-T397 WeakPolarHBondContact ND2-CG2 3.28Å |
| 57 | Q | 84 | Confident | 88.8 | Confident | 117 Ų | 117 | 58.3 Ų | 58.3 | 55% | 0.547 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.4 | 174.6 | -70.1 | -176.4 | 1.3 | 0 | 0 | 109.9 | M52 V53 K55 | M52-Q57 WeakPolarHBondContact CA-O 3.28Å; M52-Q57 WeakPolarHBondContact CG-O 3.16Å; V53-Q57 PolarHBondContact N-O 2.84Å; K55-Q57 VanDerWaalsContact C-N 3.26Å; K55-Q57 PolarHBondContact O-N 2.77Å |
| 58 | Y | 88.9 | Confident | 88.5 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.7 | -179.4 | -65.8 | -91.7 | 0 | 0 | 0 | 108.6 | V50 Q51 M52 L365 I374 V393 T395 | V50-Y58 HydrophobicContact CG1-CD1 4.02Å; Q51-Y58 WeakPolarHBondContact O-CA 3.36Å; M52-Y58 HydrophobicContact CB-CE1 4.4Å; Y58-L365 HydrophobicContact CD1-CD1 4.29Å; Y58-L365 HydrophobicContact CE1-CD1 3.85Å; Y58-I374 HydrophobicContact CE1-CG1 4.09Å; Y58-I374 WeakPolarHBondContact CE1-O 3.25Å; Y58-I374 PolarHBondContact OH-O 2.89Å; Y58-V393 HydrophobicContact CD2-CB 4.34Å; Y58-V393 HydrophobicContact CD2-CG1 3.62Å; Y58-V393 HydrophobicContact CD2-CG2 4.49Å; Y58-V393 HydrophobicContact CE2-CG1 3.9Å; Y58-V393 HydrophobicContact CG-CG1 4.18Å; Y58-V393 HydrophobicContact CG-CG2 4.35Å; Y58-T395 HydrophobicContact CD2-CG2 4.22Å; Y58-T395 HydrophobicContact CE2-CG2 3.5Å |
| 59 | S | 90.6 | Very high | 88.1 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 148.5 | 168.3 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | V50 Q51 V53 | V50-S59 WeakPolarHBondContact CA-O 3.5Å; Q51-S59 PolarHBondContact N-O 2.78Å; Q51-S59 PolarHBondContact O-N 3.21Å; V53-S59 VanDerWaalsContact CG2-CB 3.45Å |
| 60 | S | 92.8 | Very high | 87.8 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 18% | 0.175 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146 | 171.3 | 71.6 | 0 | 0 | 0 | 0 | 110.8 | L9 D49 | L9-S60 PolarHBondContact O-OG 2.82Å; D49-S60 CarbonylContact O-C 3.56Å; D49-S60 VanDerWaalsContact O-CA 3.28Å; D49-S60 WeakPolarHBondContact O-CA 3.44Å |
| 61 | S | 92.4 | Very high | 87.7 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.1 | 167.9 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | L48 D49 L63 | L48-S61 CarbonylContact C-O 3.57Å; L48-S61 VanDerWaalsContact CA-O 3.3Å; L48-S61 WeakPolarHBondContact CA-O 3Å; D49-S61 PolarHBondContact N-O 2.93Å; D49-S61 PolarHBondContact O-N 3.16Å; S61-L63 PolarHBondContact O-N 2.88Å |
| 62 | L | 94.6 | Very high | 87.9 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 41% | 0.414 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 115.1 | 173.8 | 178.5 | 67.5 | 0 | 0 | 0 | 108.6 | Y10 H46 L48 H64 | Y10-L62 HydrophobicContact CE2-CB 4.48Å; H46-L62 HydrophobicContact CB-CD1 3.81Å; L48-L62 HydrophobicContact CD2-CB 4.21Å; L48-L62 HydrophobicContact CD2-CD1 3.75Å; L62-H64 WeakPolarHBondContact CD1-O 3.26Å |
| 63 | L | 93.4 | Very high | 88.5 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -38.9 | 177.7 | -66.7 | -172.4 | 0 | 0 | 0 | 112.3 | L27 F47 D49 S61 V148 I150 | L27-L63 HydrophobicContact CD2-CD1 3.69Å; F47-L63 PolarHBondContact O-N 2.87Å; D49-L63 HydrophobicContact CB-CD1 3.75Å; D49-L63 HydrophobicContact CB-CD2 4.23Å; D49-L63 HydrophobicContact CB-CG 3.88Å; S61-L63 PolarHBondContact O-N 2.88Å; L63-V148 HydrophobicContact CD1-CG1 4.06Å; L63-I150 HydrophobicContact CB-CD1 3.63Å; L63-I150 HydrophobicContact CB-CG1 4.39Å; L63-I150 HydrophobicContact CD1-CD1 3.88Å; L63-I150 HydrophobicContact CG-CD1 4.44Å |
| 64 | H | 94.8 | Very high | 89 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 146 | -178.2 | -174.8 | 76.8 | 0 | 0 | 0 | 111.6 | F47 L62 I150 | F47-H64 HydrophobicContact CB-CB 4.25Å; F47-H64 HydrophobicContact CD2-CB 4.11Å; F47-H64 AromaticContact CD2-CD2 3.84Å; F47-H64 AromaticContact CE2-CD2 3.97Å; F47-H64 HydrophobicContact CG-CB 4.45Å; F47-H64 PolarHBondContact N-O 2.79Å; F47-H64 PolarHBondContact O-N 2.9Å; L62-H64 WeakPolarHBondContact CD1-O 3.26Å; H64-I150 HydrophobicContact CB-CB 3.78Å; H64-I150 HydrophobicContact CB-CD1 4.15Å; H64-I150 HydrophobicContact CB-CG1 4.42Å; H64-I150 HydrophobicContact CB-CG2 4.31Å; H64-I150 PolarHBondContact ND1-O 3.02Å |
| 65 | S | 95 | Very high | 90.1 | Very high | 61 Ų | 61 | 57.8 Ų | 57.8 | 43% | 0.427 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116.1 | 172.9 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | H46 | H46-S65 PolarHBondContact CD2-OG 3.4Å; H46-S65 PolarHBondContact NE2-OG 2.97Å |
| 66 | H | 95.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 15% | 0.148 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 114.4 | 176.9 | -177.4 | 72.7 | 0 | 0 | 0 | 109.1 | A44 V45 F47 M94 V152 | A44-H66 CarbonylContact C-O 3.57Å; A44-H66 WeakPolarHBondContact CA-O 3.39Å; A44-H66 VanDerWaalsContact CB-O 3.23Å; A44-H66 WeakPolarHBondContact CB-O 3.3Å; V45-H66 HydrophobicContact CB-CB 4.41Å; V45-H66 PolarHBondContact N-O 3.36Å; V45-H66 PolarHBondContact O-N 2.89Å; F47-H66 HydrophobicContact CE2-CB 4.27Å; H66-M94 VanDerWaalsContact CD2-SD 3.53Å; H66-V152 HydrophobicContact CB-CB 4.44Å; H66-V152 HydrophobicContact CB-CG1 4.42Å; H66-V152 HydrophobicContact CB-CG2 4.35Å |
| 67 | D | 92.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 135.5 | 179.3 | -153.8 | -39.2 | 0 | 0 | 0 | 110.2 | N43 D69 | N43-D67 VanDerWaalsContact O-OD1 3.07Å; D67-D69 PolarHBondContact OD1-N 3.47Å |
| 68 | T | 91 | Very high | 93.1 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | trans | -109.9 | 24.2 | 176.6 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | N43 V45 T70 R71 | N43-T68 VanDerWaalsContact C-OG1 3.26Å; N43-T68 WeakPolarHBondContact CB-OG1 3.3Å; N43-T68 PolarHBondContact O-N 2.8Å; N43-T68 PolarHBondContact O-OG1 2.74Å; V45-T68 HydrophobicContact CG2-CG2 3.91Å; T68-T70 PolarHBondContact O-N 2.79Å; T68-R71 PolarHBondContact O-N 3.06Å; T68-R71 VanDerWaalsContact O-N 3.1Å; T68-R71 PolarHBondContact OG1-O 2.91Å | ||
| 69 | D | 86.5 | Confident | 93.2 | Very high | 119 Ų | 119 | 41.3 Ų | 41.3 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | -121 | 176.2 | -58.3 | -48.1 | 0 | 0 | 0 | 111.6 | N43 D67 | N43-D69 PolarHBondContact ND2-O 2.85Å; D67-D69 PolarHBondContact OD1-N 3.47Å |
| 70 | T | 85.3 | Confident | 93.1 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 47% | 0.466 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.1 | -177.9 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | N43 T68 | N43-T70 PolarHBondContact ND2-O 2.95Å; T68-T70 PolarHBondContact O-N 2.79Å |
| 71 | R | 89.3 | Confident | 93 | Very high | 60 Ų | 60 | 43 Ų | 43 | 23% | 0.226 | 24% | 0.242 | C | C | . | . | trans | -100.8 | 118.1 | -170 | -58 | -175.4 | -68.2 | -160 | -1 | 110.6 | N43 T68 Q87 E157 | N43-R71 VanDerWaalsContact CB-O 3.26Å; N43-R71 WeakPolarHBondContact CB-O 3.39Å; T68-R71 PolarHBondContact O-N 3.06Å; T68-R71 VanDerWaalsContact O-N 3.1Å; T68-R71 PolarHBondContact OG1-O 2.91Å; R71-Q87 HydrophobicContact CB-CB 3.9Å; R71-Q87 HydrophobicContact CB-CG 4.12Å; R71-E157 IonicContact CZ-OE1 3.5Å; R71-E157 IonicContact CZ-OE2 3.76Å; R71-E157 VanDerWaalsContact NH1-CD 3.29Å; R71-E157 IonicContact NH1-OE1 3.3Å; R71-E157 PolarHBondContact NH1-OE1 3.17Å; R71-E157 IonicContact NH1-OE2 2.77Å; R71-E157 PolarHBondContact NH1-OE2 3.06Å; R71-E157 VanDerWaalsContact NH1-OE2 3.09Å; R71-E157 IonicContact NH2-OE2 2.62Å | ||
| 72 | A | 93 | Very high | 93.2 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | trans | -73.5 | 132.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y17 I74 | Y17-A72 HydrophobicContact CE2-CB 4.22Å; A72-I74 HydrophobicContact CB-CD1 4.24Å; A72-I74 PolarHBondContact O-N 3.12Å | ||
| 73 | T | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 112.2 | 175 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | T18 A31 A85 G86 Q87 | T18-T73 HydrophobicContact CG2-CG2 4.36Å; A31-T73 HydrophobicContact CB-CG2 3.62Å; T73-A85 HydrophobicContact CG2-CB 3.73Å; T73-G86 CarbonylContact C-O 3.57Å; T73-G86 WeakPolarHBondContact CA-O 3.21Å; T73-Q87 PolarHBondContact OG1-NE2 3.28Å; T73-Q87 VanDerWaalsContact OG1-NE2 3.09Å |
| 74 | I | 95.4 | Very high | 93.6 | Very high | 54 Ų | 54 | 34.5 Ų | 34.5 | 28% | 0.277 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -34.4 | -171.2 | -57.6 | -66.5 | 0 | 0 | 0 | 112.2 | Y17 A72 G86 L168 | Y17-I74 HydrophobicContact CD2-CD1 3.66Å; Y17-I74 HydrophobicContact CE2-CD1 3.76Å; Y17-I74 HydrophobicContact CG-CD1 4.1Å; A72-I74 HydrophobicContact CB-CD1 4.24Å; A72-I74 PolarHBondContact O-N 3.12Å; I74-G86 PolarHBondContact N-O 3.24Å; I74-L168 HydrophobicContact CG1-CD1 4.25Å |
| 75 | N | 97 | Very high | 93.7 | Very high | 13 Ų | 13 | 32 Ų | 32 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 158.7 | 177.1 | 48.6 | 67.9 | 0 | 0 | 0 | 110.3 | G86 Q169 K170 V172 | N75-G86 PolarHBondContact O-N 3.1Å; N75-G86 WeakPolarHBondContact OD1-CA 3.35Å; N75-G86 PolarHBondContact OD1-N 3.31Å; N75-Q169 PolarHBondContact ND2-O 2.88Å; N75-Q169 PolarHBondContact OD1-NE2 2.93Å; N75-K170 WeakPolarHBondContact ND2-CA 3.46Å; N75-K170 PolarHBondContact ND2-O 2.84Å; N75-V172 WeakPolarHBondContact OD1-CG1 3.25Å |
| 76 | M | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 143.9 | -174.9 | -175.5 | 168 | 61.1 | 0 | 0 | 111.4 | T18 K20 I29 A31 V78 I83 A84 R173 | T18-M76 HydrophobicContact CG2-CB 3.54Å; T18-M76 HydrophobicContact CG2-CE 4.23Å; K20-M76 HydrophobicContact CB-CE 3.88Å; K20-M76 WeakPolarHBondContact CE-O 3.45Å; K20-M76 HydrophobicContact CG-CB 4.35Å; K20-M76 HydrophobicContact CG-CE 3.83Å; K20-M76 HydrophobicContact CG-CG 4.29Å; I29-M76 HydrophobicContact CB-CE 3.89Å; I29-M76 HydrophobicContact CG2-CE 3.64Å; I29-M76 HydrophobicContact CG2-SD 3.77Å; I29-M76 WeakPolarHBondContact O-CE 3.45Å; A31-M76 HydrophobicContact CB-SD 4.41Å; M76-V78 HydrophobicContact CE-CG2 4.38Å; M76-V78 HydrophobicContact CG-CG2 3.97Å; M76-V78 HydrophobicContact SD-CG2 4.17Å; M76-I83 HydrophobicContact CG-CG2 3.6Å; M76-I83 HydrophobicContact SD-CG2 3.53Å; M76-I83 VanDerWaalsContact SD-CG2 3.53Å; M76-A84 CarbonylContact C-O 3.57Å; M76-A84 VanDerWaalsContact CA-O 3.27Å; M76-A84 WeakPolarHBondContact CA-O 3.47Å; M76-R173 PolarHBondContact O-NH1 3.1Å |
| 77 | A | 97.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | I83 A84 V172 F174 | A77-I83 WeakPolarHBondContact O-CA 3.48Å; A77-A84 HydrophobicContact CB-CB 4.46Å; A77-A84 PolarHBondContact N-O 3.4Å; A77-A84 PolarHBondContact O-N 3.14Å; A77-V172 HydrophobicContact CB-CG1 4.16Å; A77-V172 HydrophobicContact CB-CG2 4.34Å; A77-F174 HydrophobicContact CB-CD2 3.78Å; A77-F174 HydrophobicContact CB-CE2 4.07Å |
| 78 | V | 96.1 | Very high | 93.7 | Very high | 34 Ų | 34 | 27.6 Ų | 27.6 | 21% | 0.206 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.7 | -178.7 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | K20 D22 I29 M76 V82 I83 F96 | K20-V78 HydrophobicContact CB-CB 4.2Å; K20-V78 HydrophobicContact CB-CG2 3.58Å; K20-V78 HydrophobicContact CG-CG2 4.04Å; D22-V78 HydrophobicContact CB-CG1 4.07Å; I29-V78 HydrophobicContact CD1-CG1 4.07Å; I29-V78 HydrophobicContact CD1-CG2 4.12Å; M76-V78 HydrophobicContact CE-CG2 4.38Å; M76-V78 HydrophobicContact CG-CG2 3.97Å; M76-V78 HydrophobicContact SD-CG2 4.17Å; V78-V82 WeakPolarHBondContact CA-O 3.41Å; V78-I83 HydrophobicContact CG2-CG1 4.21Å; V78-F96 HydrophobicContact CG1-CE1 4.09Å; V78-F96 HydrophobicContact CG1-CZ 4.21Å |
| 79 | G | 91.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 142 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G81 V82 M178 | G79-G81 VanDerWaalsContact C-N 3.31Å; G79-G81 PolarHBondContact O-N 2.95Å; G79-G81 VanDerWaalsContact O-N 3.16Å; G79-V82 PolarHBondContact N-O 3.08Å; G79-V82 WeakPolarHBondContact O-CA 3.17Å; G79-V82 WeakPolarHBondContact O-CB 3.19Å; G79-V82 PolarHBondContact O-N 3.11Å; G79-M178 VanDerWaalsContact C-CE 3.44Å; G79-M178 WeakPolarHBondContact O-CE 3.49Å |
| 80 | D | 87.8 | Confident | 94.3 | Very high | 108 Ų | 108 | 23 Ų | 23 | 58% | 0.578 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 45.3 | 177.6 | -63 | -11.1 | 0 | 0 | 0 | 115.6 | V82 M178 | D80-V82 PolarHBondContact O-N 2.73Å; D80-M178 HydrophobicContact CB-CE 4.2Å; D80-M178 WeakPolarHBondContact OD2-CG 3.4Å |
| 81 | G | 91.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 19.3 Ų | 19.3 | 13% | 0.134 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 16.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G79 R95 F96 | G79-G81 VanDerWaalsContact C-N 3.31Å; G79-G81 PolarHBondContact O-N 2.95Å; G79-G81 VanDerWaalsContact O-N 3.16Å; G81-R95 WeakPolarHBondContact O-CA 3.43Å; G81-F96 VanDerWaalsContact O-CD1 3.28Å; G81-F96 WeakPolarHBondContact O-CD1 3.38Å; G81-F96 PolarHBondContact O-N 3.3Å |
| 82 | V | 95.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.6 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | V78 G79 D80 L93 M94 I155 F174 F195 | V78-V82 WeakPolarHBondContact CA-O 3.41Å; G79-V82 PolarHBondContact N-O 3.08Å; G79-V82 WeakPolarHBondContact O-CA 3.17Å; G79-V82 WeakPolarHBondContact O-CB 3.19Å; G79-V82 PolarHBondContact O-N 3.11Å; D80-V82 PolarHBondContact O-N 2.73Å; V82-L93 HydrophobicContact CG1-CD2 4.34Å; V82-M94 CarbonylContact C-O 3.53Å; V82-M94 WeakPolarHBondContact CA-O 3.49Å; V82-I155 HydrophobicContact CG1-CD1 3.83Å; V82-I155 HydrophobicContact CG2-CD1 4.04Å; V82-F174 HydrophobicContact CG1-CZ 4.09Å; V82-F195 HydrophobicContact CB-CZ 4.2Å; V82-F195 HydrophobicContact CG1-CE2 4.16Å; V82-F195 HydrophobicContact CG1-CZ 3.97Å; V82-F195 HydrophobicContact CG2-CZ 4.06Å |
| 83 | I | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.6 | 175.8 | -59.9 | 169.4 | 0 | 0 | 0 | 106.9 | I29 V45 F47 M76 A77 V78 A85 L93 M94 F96 | I29-I83 HydrophobicContact CD1-CD1 4.03Å; I29-I83 HydrophobicContact CD1-CG1 4.28Å; I29-I83 HydrophobicContact CG2-CD1 4.22Å; V45-I83 HydrophobicContact CG1-CD1 4.39Å; F47-I83 HydrophobicContact CE1-CD1 3.72Å; F47-I83 HydrophobicContact CZ-CD1 3.5Å; F47-I83 VanDerWaalsContact CZ-CD1 3.5Å; M76-I83 HydrophobicContact CG-CG2 3.6Å; M76-I83 HydrophobicContact SD-CG2 3.53Å; M76-I83 VanDerWaalsContact SD-CG2 3.53Å; A77-I83 WeakPolarHBondContact O-CA 3.48Å; V78-I83 HydrophobicContact CG2-CG1 4.21Å; I83-A85 HydrophobicContact CG2-CB 4.32Å; I83-L93 CarbonylContact O-C 3.52Å; I83-L93 VanDerWaalsContact O-CA 3.28Å; I83-L93 WeakPolarHBondContact O-CA 3.48Å; I83-M94 HydrophobicContact CB-CB 4.31Å; I83-M94 HydrophobicContact CB-CE 4.37Å; I83-M94 HydrophobicContact CG2-CE 3.91Å; I83-M94 PolarHBondContact N-O 3.04Å; I83-M94 PolarHBondContact O-N 3.1Å; I83-F96 HydrophobicContact CD1-CD1 3.69Å; I83-F96 HydrophobicContact CD1-CE1 4.08Å; I83-F96 HydrophobicContact CG1-CD1 3.66Å; I83-F96 HydrophobicContact CG1-CE1 3.69Å |
| 84 | A | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | M76 A77 L93 V172 F174 L181 | M76-A84 CarbonylContact C-O 3.57Å; M76-A84 VanDerWaalsContact CA-O 3.27Å; M76-A84 WeakPolarHBondContact CA-O 3.47Å; A77-A84 HydrophobicContact CB-CB 4.46Å; A77-A84 PolarHBondContact N-O 3.4Å; A77-A84 PolarHBondContact O-N 3.14Å; A84-L93 HydrophobicContact CB-CG 4.39Å; A84-V172 HydrophobicContact CB-CG2 3.83Å; A84-F174 HydrophobicContact CB-CE2 3.97Å; A84-F174 HydrophobicContact CB-CZ 3.8Å; A84-L181 HydrophobicContact CB-CD1 3.64Å |
| 85 | A | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T73 I83 Q87 C91 S92 M94 | T73-A85 HydrophobicContact CG2-CB 3.73Å; I83-A85 HydrophobicContact CG2-CB 4.32Å; A85-Q87 PolarHBondContact O-N 2.85Å; A85-C91 WeakPolarHBondContact O-CA 3.3Å; A85-S92 PolarHBondContact N-O 3.31Å; A85-S92 PolarHBondContact O-N 3.38Å; A85-M94 HydrophobicContact CB-CE 3.41Å; A85-M94 VanDerWaalsContact CB-CE 3.41Å |
| 86 | G | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 119.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T73 I74 N75 | T73-G86 CarbonylContact C-O 3.57Å; T73-G86 WeakPolarHBondContact CA-O 3.21Å; I74-G86 PolarHBondContact N-O 3.24Å; N75-G86 PolarHBondContact O-N 3.1Å; N75-G86 WeakPolarHBondContact OD1-CA 3.35Å; N75-G86 PolarHBondContact OD1-N 3.31Å |
| 87 | Q | 94.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 104.7 | -174.6 | -75.3 | 178.7 | 6.4 | 0 | 0 | 107.9 | R71 T73 A85 G89 T90 | R71-Q87 HydrophobicContact CB-CB 3.9Å; R71-Q87 HydrophobicContact CB-CG 4.12Å; T73-Q87 PolarHBondContact OG1-NE2 3.28Å; T73-Q87 VanDerWaalsContact OG1-NE2 3.09Å; A85-Q87 PolarHBondContact O-N 2.85Å; Q87-G89 PolarHBondContact O-N 3.49Å; Q87-T90 PolarHBondContact N-O 3.34Å; Q87-T90 PolarHBondContact O-N 3.06Å; Q87-T90 PolarHBondContact O-OG1 2.99Å |
| 88 | D | 92 | Very high | 94.6 | Very high | 72 Ų | 72 | 26.7 Ų | 26.7 | 39% | 0.385 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -127.6 | -171 | -50.6 | -43 | 0 | 0 | 0 | 110.9 | T90 P167 L168 Q169 | D88-T90 VanDerWaalsContact C-N 3.29Å; D88-T90 PolarHBondContact O-N 2.75Å; D88-P167 CarbonylContact C-O 3.47Å; D88-L168 CarbonylContact O-C 3.55Å; D88-L168 WeakPolarHBondContact O-CA 3.26Å; D88-Q169 PolarHBondContact O-N 2.9Å |
| 89 | G | 93.8 | Very high | 94 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 7% | 0.072 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 2.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q87 S160 D161 P167 | Q87-G89 PolarHBondContact O-N 3.49Å; G89-S160 VanDerWaalsContact C-OG 3.24Å; G89-S160 PolarHBondContact O-N 3.03Å; G89-S160 PolarHBondContact O-OG 3.07Å; G89-D161 PolarHBondContact O-N 3.18Å; G89-P167 PolarHBondContact N-O 3.43Å |
| 90 | T | 96.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 32.5 Ų | 32.5 | 12% | 0.123 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 159.3 | -173.3 | 77.4 | 0 | 0 | 0 | 0 | 113.1 | Q87 D88 E157 V158 L159 S160 | Q87-T90 PolarHBondContact N-O 3.34Å; Q87-T90 PolarHBondContact O-N 3.06Å; Q87-T90 PolarHBondContact O-OG1 2.99Å; D88-T90 VanDerWaalsContact C-N 3.29Å; D88-T90 PolarHBondContact O-N 2.75Å; T90-E157 WeakPolarHBondContact CB-OE1 3.28Å; T90-E157 WeakPolarHBondContact CG2-OE1 3.5Å; T90-E157 PolarHBondContact OG1-OE1 2.69Å; T90-V158 WeakPolarHBondContact CA-O 3.16Å; T90-L159 HydrophobicContact CG2-CD2 3.69Å; T90-S160 VanDerWaalsContact CA-OG 3.31Å; T90-S160 WeakPolarHBondContact CA-OG 3.48Å; T90-S160 PolarHBondContact N-OG 3.27Å |
| 91 | C | 97.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 110.5 | 172.1 | -162.8 | 0 | 0 | 0 | 0 | 108.9 | A85 E157 V158 S160 T183 | A85-C91 WeakPolarHBondContact O-CA 3.3Å; C91-E157 WeakPolarHBondContact O-CA 3.42Å; C91-V158 HydrophobicContact CB-CG2 3.66Å; C91-V158 PolarHBondContact N-O 3.43Å; C91-V158 PolarHBondContact O-N 3.31Å; C91-S160 PolarHBondContact N-OG 3.2Å; C91-T183 HydrophobicContact CB-CG2 4.24Å |
| 92 | S | 96.6 | Very high | 90.2 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.3 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | A85 | A85-S92 PolarHBondContact N-O 3.31Å; A85-S92 PolarHBondContact O-N 3.38Å |
| 93 | L | 97.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.2 | 176.1 | -72.3 | 93.9 | 0 | 0 | 0 | 110.8 | V82 I83 A84 I155 A156 V158 L181 F195 L198 | V82-L93 HydrophobicContact CG1-CD2 4.34Å; I83-L93 CarbonylContact O-C 3.52Å; I83-L93 VanDerWaalsContact O-CA 3.28Å; I83-L93 WeakPolarHBondContact O-CA 3.48Å; A84-L93 HydrophobicContact CB-CG 4.39Å; L93-I155 HydrophobicContact CB-CB 4.34Å; L93-I155 PolarHBondContact O-N 2.56Å; L93-A156 PolarHBondContact N-O 3.09Å; L93-A156 PolarHBondContact O-N 3.35Å; L93-V158 HydrophobicContact CD1-CG2 4.49Å; L93-L181 HydrophobicContact CD1-CD2 4.06Å; L93-L181 HydrophobicContact CD2-CD2 4.29Å; L93-F195 HydrophobicContact CD2-CD2 3.95Å; L93-F195 HydrophobicContact CD2-CE2 3.57Å; L93-L198 HydrophobicContact CD1-CD1 3.92Å; L93-L198 HydrophobicContact CD1-CD2 4.11Å; L93-L198 HydrophobicContact CD2-CD1 4.24Å; L93-L198 HydrophobicContact CD2-CD2 3.93Å |
| 94 | M | 96.3 | Very high | 85 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.8 | -179.3 | -69 | 165.3 | -78.9 | 0 | 0 | 110.5 | V45 H66 V82 I83 A85 V152 T153 N154 | V45-M94 HydrophobicContact CG2-CE 4.31Å; H66-M94 VanDerWaalsContact CD2-SD 3.53Å; V82-M94 CarbonylContact C-O 3.53Å; V82-M94 WeakPolarHBondContact CA-O 3.49Å; I83-M94 HydrophobicContact CB-CB 4.31Å; I83-M94 HydrophobicContact CB-CE 4.37Å; I83-M94 HydrophobicContact CG2-CE 3.91Å; I83-M94 PolarHBondContact N-O 3.04Å; I83-M94 PolarHBondContact O-N 3.1Å; A85-M94 HydrophobicContact CB-CE 3.41Å; A85-M94 VanDerWaalsContact CB-CE 3.41Å; M94-V152 HydrophobicContact CB-CG1 3.99Å; M94-V152 HydrophobicContact CG-CG1 4.28Å; M94-V152 HydrophobicContact SD-CG1 4.29Å; M94-T153 CarbonylContact C-O 3.57Å; M94-T153 WeakPolarHBondContact CA-O 3.2Å; M94-N154 WeakPolarHBondContact CG-OD1 3.47Å |
| 95 | R | 95.8 | Very high | 82 | Confident | 87 Ų | 87 | 61.7 Ų | 61.7 | 33% | 0.328 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.3 | 168.5 | -170.7 | 167.6 | -68.6 | -81 | 2.8 | 108.9 | G81 V152 T153 I155 | G81-R95 WeakPolarHBondContact O-CA 3.43Å; R95-V152 CarbonylContact O-C 3.57Å; R95-V152 WeakPolarHBondContact O-CA 3.38Å; R95-T153 PolarHBondContact N-O 2.94Å; R95-T153 PolarHBondContact O-N 2.95Å; R95-T153 PolarHBondContact O-OG1 2.9Å; R95-I155 HydrophobicContact CB-CD1 3.65Å; R95-I155 HydrophobicContact CB-CG1 3.81Å |
| 96 | F | 95 | Very high | 78.9 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 2% | 0.022 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.9 | 169.9 | 66.9 | -82.5 | 0 | 0 | 0 | 110.5 | D22 T25 L27 I29 F47 V78 G81 I83 I150 T151 V152 | D22-F96 HydrophobicContact CB-CZ 4.22Å; D22-F96 WeakPolarHBondContact OD2-CZ 3.33Å; T25-F96 HydrophobicContact CG2-CE2 3.96Å; L27-F96 HydrophobicContact CD1-CD2 4.18Å; L27-F96 HydrophobicContact CD1-CE2 4.02Å; I29-F96 HydrophobicContact CD1-CE1 3.99Å; I29-F96 HydrophobicContact CD1-CE2 4.45Å; I29-F96 HydrophobicContact CD1-CZ 3.89Å; F47-F96 HydrophobicContact CD1-CD2 4.48Å; F47-F96 HydrophobicContact CE1-CB 3.8Å; F47-F96 HydrophobicContact CE1-CD1 4.08Å; F47-F96 AromaticContact CE1-CD2 3.99Å; F47-F96 HydrophobicContact CE1-CD2 3.99Å; F47-F96 AromaticContact CE1-CG 3.7Å; F47-F96 HydrophobicContact CE1-CG 3.7Å; F47-F96 HydrophobicContact CZ-CB 4.08Å; F47-F96 HydrophobicContact CZ-CG 4.38Å; V78-F96 HydrophobicContact CG1-CE1 4.09Å; V78-F96 HydrophobicContact CG1-CZ 4.21Å; G81-F96 VanDerWaalsContact O-CD1 3.28Å; G81-F96 WeakPolarHBondContact O-CD1 3.38Å; G81-F96 PolarHBondContact O-N 3.3Å; I83-F96 HydrophobicContact CD1-CD1 3.69Å; I83-F96 HydrophobicContact CD1-CE1 4.08Å; I83-F96 HydrophobicContact CG1-CD1 3.66Å; I83-F96 HydrophobicContact CG1-CE1 3.69Å; F96-I150 HydrophobicContact CB-CG2 4.21Å; F96-T151 VanDerWaalsContact CA-O 3.3Å; F96-T151 WeakPolarHBondContact CA-O 3.31Å; F96-V152 HydrophobicContact CB-CG2 4.15Å |
| 97 | K | 91.8 | Very high | 75.9 | Confident | 129 Ų | 129 | 72.2 Ų | 72.2 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.7 | 175.3 | -66.9 | -177 | 179.8 | 178.8 | 0 | 109.8 | I150 T151 | K97-I150 WeakPolarHBondContact O-CA 3.33Å; K97-T151 PolarHBondContact N-O 2.87Å; K97-T151 PolarHBondContact O-N 2.76Å |
| 98 | L | 87.6 | Confident | 73 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 34% | 0.34 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 117.2 | 173.2 | -162.1 | 72.6 | 0 | 0 | 0 | 108.7 | V148 I150 | L98-V148 HydrophobicContact CD1-CG1 3.22Å; L98-V148 HydrophobicContact CD2-CG1 4.33Å; L98-V148 HydrophobicContact CG-CG1 3.83Å; L98-I150 HydrophobicContact CD1-CD1 4.32Å; L98-I150 HydrophobicContact CD1-CG1 3.7Å |
| 99 | C | 82.5 | Confident | 70.4 | Confident | 50 Ų | 50 | 88.2 Ų | 88.2 | 34% | 0.338 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.1 | 176.9 | -67 | 0 | 0 | 0 | 0 | 109.5 | Q149 | C99-Q149 PolarHBondContact N-O 2.82Å; C99-Q149 PolarHBondContact O-N 3.48Å |
| 100 | L | 78.9 | Confident | 67.3 | Low | 117 Ų | 117 | 95.9 Ų | 95.9 | 61% | 0.613 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 109.2 | 169.7 | -63.7 | 172.9 | 0 | 0 | 0 | 107.6 | V148 | L100-V148 HydrophobicContact CD2-CG2 3.94Å |
| 101 | Q | 62.3 | Low | 64.2 | Low | 99 Ų | 99 | 98.1 Ų | 98.1 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.6 | 168.1 | -71.4 | -162.2 | 0.8 | 0 | 0 | 109 | T147 | Q101-T147 PolarHBondContact N-O 3.35Å |
| 102 | K | 50.6 | Low | 60.9 | Low | 182 Ų | 182 | 106.4 Ų | 106.4 | 79% | 0.791 | 54% | 0.542 | S | S | * | . | trans | -87.4 | 120 | 159.5 | -74.1 | 178.1 | 178.3 | 175.9 | 0 | 106.2 | E104 | K102-E104 PolarHBondContact O-N 2.69Š| ||
| 103 | E | 44.9 | Very low | 57.7 | Low | 127 Ų | 127 | 110.5 Ų | 110.5 | 59% | 0.593 | 58% | 0.575 | S | S | * | * | trans | -61.8 | 102.3 | 165.5 | -75.9 | -176.3 | 155.4 | 0 | 0 | 107.8 | N105 | E103-N105 PolarHBondContact O-N 3.32Š| ||
| 104 | E | 38.3 | Very low | 54.5 | Low | 179 Ų | 179 | 118 Ų | 118 | 84% | 0.836 | 62% | 0.615 | S | S | * | * | trans | -75.2 | 112.1 | 159.7 | -76.6 | -174.3 | 169 | 0 | 0 | 107 | K102 S106 | K102-E104 PolarHBondContact O-N 2.69Å; E104-S106 PolarHBondContact O-N 3.25Å | ||
| 105 | N | 35 | Very low | 51.2 | Low | 148 Ų | 148 | 125.9 Ų | 125.9 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | trans | -59.6 | 87.2 | 166 | -92.3 | -23.6 | 0 | 0 | 0 | 108.9 | E103 T107 | E103-N105 PolarHBondContact O-N 3.32Å; N105-T107 VanDerWaalsContact C-N 3.29Å; N105-T107 PolarHBondContact O-N 3.44Å | ||
| 106 | S | 34.6 | Very low | 48 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | trans | -71.9 | 91.2 | 166.8 | 53.6 | 0 | 0 | 0 | 0 | 108.3 | E104 H108 | E104-S106 PolarHBondContact O-N 3.25Å; S106-H108 PolarHBondContact O-N 2.93Å | ||
| 107 | T | 33.8 | Very low | 44.6 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -66.4 | 89.5 | 160.2 | 41.7 | 0 | 0 | 0 | 0 | 107.9 | N105 R109 | N105-T107 VanDerWaalsContact C-N 3.29Å; N105-T107 PolarHBondContact O-N 3.44Å; T107-R109 PolarHBondContact O-N 3.49Å | ||
| 108 | H | 33.5 | Very low | 41.6 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | trans | -68.4 | 85.2 | 161.9 | -86.7 | -70.8 | 0 | 0 | 0 | 108.8 | S106 | S106-H108 PolarHBondContact O-N 2.93Š| ||
| 109 | R | 35.9 | Very low | 38.7 | Very low | 231 Ų | 231 | 137 Ų | 137 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | trans | -96.5 | 105.3 | 148 | -87 | -175.5 | 177.4 | 177.3 | 0.5 | 106.5 | T107 | T107-R109 PolarHBondContact O-N 3.49Š| ||
| 110 | D | 29.9 | Very low | 36.2 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | -153.7 | 127.8 | 135.4 | -99.6 | -24.4 | 0 | 0 | 0 | 109.4 | ||||
| 111 | G | 30.1 | Very low | 33.8 | Very low | 66 Ų | 66 | 152.4 Ų | 152.4 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -85.4 | 152.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 112 | N | 28.8 | Very low | 32.1 | Very low | 175 Ų | 175 | 159.8 Ų | 159.8 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | trans | -138.5 | 126.3 | 143.2 | -90 | -32.4 | 0 | 0 | 0 | 108 | ||||
| 113 | A | 29.8 | Very low | 30.9 | Very low | 90 Ų | 90 | 156.8 Ų | 156.8 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -90 | 168.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 114 | L | 28.7 | Very low | 30.1 | Very low | 158 Ų | 158 | 154.6 Ų | 154.6 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | trans | 96.5 | 124.5 | 176.2 | -54.6 | 157.1 | 0 | 0 | 0 | 112.2 | ||||
| 115 | E | 27.3 | Very low | 29.6 | Very low | 167 Ų | 167 | 155.7 Ų | 155.7 | 78% | 0.78 | 83% | 0.828 | S | S | * | * | cis | -160.6 | 169.5 | 11.5 | -118.3 | 179.4 | -176.3 | 0 | 0 | 110.9 | ||||
| 116 | L | 28.3 | Very low | 29.2 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 76% | 0.759 | 83% | 0.828 | S | S | * | * | trans | -38.8 | 145.7 | -172.5 | -75 | 78.4 | 0 | 0 | 0 | 119 | ||||
| 117 | S | 24.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | -173.2 | 148.4 | 106.8 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 118 | N | 27.2 | Very low | 28.6 | Very low | 156 Ų | 156 | 157 Ų | 157 | 83% | 0.834 | 85% | 0.846 | S | S | * | * | trans | -75.3 | 140.7 | -166.8 | -68.3 | -53.8 | 0 | 0 | 0 | 114.8 | ||||
| 119 | A | 28.7 | Very low | 28.2 | Very low | 97 Ų | 97 | 152.1 Ų | 152.1 | 80% | 0.802 | 84% | 0.843 | S | S | * | * | trans | -158.4 | 93 | 145.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 120 | R | 28.6 | Very low | 27.7 | Very low | 248 Ų | 248 | 148.6 Ų | 148.6 | 94% | 0.936 | 84% | 0.842 | S | S | * | * | trans | 48.5 | 105.4 | 140.5 | -66.5 | 179.1 | -179.5 | 168.8 | 0.9 | 120.2 | ||||
| 121 | R | 28.1 | Very low | 27.7 | Very low | 242 Ų | 242 | 147.8 Ų | 147.8 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | trans | -47.7 | 142.3 | 149 | -72 | 174 | 170 | 169.9 | -3.3 | 112.8 | ||||
| 122 | R | 27.8 | Very low | 27.5 | Very low | 255 Ų | 255 | 153.1 Ų | 153.1 | 96% | 0.962 | 84% | 0.844 | S | S | * | * | trans | -123.2 | 113.5 | 142.9 | -109.7 | -179.4 | 177.4 | 169.7 | -0.6 | 109 | ||||
| 123 | S | 25.4 | Very low | 27.5 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | -80.5 | 134.1 | 174.5 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 124 | G | 27.2 | Very low | 27.3 | Very low | 81 Ų | 81 | 159.7 Ų | 159.7 | 84% | 0.835 | 85% | 0.849 | S | S | * | * | trans | -117.5 | 124.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 125 | K | 28.8 | Very low | 27.5 | Very low | 202 Ų | 202 | 157.6 Ų | 157.6 | 88% | 0.878 | 85% | 0.847 | S | S | * | * | trans | -94.7 | 120.1 | -159.9 | -173.3 | 177.5 | -178.5 | -178.6 | 0 | 112.3 | ||||
| 126 | A | 27 | Very low | 27.6 | Very low | 95 Ų | 95 | 155.9 Ų | 155.9 | 79% | 0.785 | 85% | 0.848 | S | S | * | * | trans | 49.9 | 125.8 | 131.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 127 | G | 26.5 | Very low | 27.7 | Very low | 83 Ų | 83 | 155.8 Ų | 155.8 | 86% | 0.856 | 85% | 0.854 | S | S | * | * | trans | -136.3 | 114 | 148.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 128 | K | 27.4 | Very low | 27.8 | Very low | 219 Ų | 219 | 153.1 Ų | 153.1 | 95% | 0.952 | 85% | 0.846 | S | S | * | * | trans | -82.7 | 141.8 | 175.5 | -92.6 | 179 | 170.3 | -179.7 | 0 | 110.1 | ||||
| 129 | G | 25.9 | Very low | 28 | Very low | 76 Ų | 76 | 153.4 Ų | 153.4 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | trans | -161.1 | 106.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 130 | N | 25.2 | Very low | 28.4 | Very low | 157 Ų | 157 | 154.7 Ų | 154.7 | 84% | 0.84 | 85% | 0.845 | S | S | * | * | trans | -61.5 | 145.3 | 173.4 | -81.5 | -16.2 | 0 | 0 | 0 | 111.4 | ||||
| 131 | L | 30 | Very low | 28.8 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | trans | -170.1 | 115.1 | 131.5 | -103.6 | 135.1 | 0 | 0 | 0 | 111.8 | ||||
| 132 | E | 26.5 | Very low | 29.3 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | 59.1 | 115.6 | 141.2 | -68.1 | 178.3 | 178.1 | 0 | 0 | 123.7 | ||||
| 133 | N | 27.6 | Very low | 30 | Very low | 162 Ų | 162 | 136 Ų | 136 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -9.7 | 125.3 | 142.2 | -73.9 | -19.8 | 0 | 0 | 0 | 117.9 | ||||
| 134 | R | 26.7 | Very low | 30.8 | Very low | 240 Ų | 240 | 140.4 Ų | 140.4 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | -164.4 | 124 | 115.1 | -113.3 | 169.6 | 169.3 | 164 | -3.5 | 111.6 | T136 | R134-T136 PolarHBondContact O-N 3.31Š| |||
| 135 | S | 33.3 | Very low | 31.8 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -59.2 | 123.2 | 167.1 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 136 | T | 28.2 | Very low | 33.3 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -138.3 | 114.2 | 145.1 | 47.7 | 0 | 0 | 0 | 0 | 106.4 | R134 G138 | R134-T136 PolarHBondContact O-N 3.31Å; T136-G138 PolarHBondContact O-N 3.14Å | ||
| 137 | T | 30.2 | Very low | 35.3 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -37.4 | 102.6 | 166.1 | 43.4 | 0 | 0 | 0 | 0 | 110.4 | D139 | T137-D139 PolarHBondContact O-N 3.1Š| ||
| 138 | G | 28.6 | Very low | 38 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 74% | 0.736 | S | S | * | * | trans | -75 | 100.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | T136 V140 | T136-G138 PolarHBondContact O-N 3.14Å; G138-V140 PolarHBondContact O-N 3.43Å | ||
| 139 | D | 29.8 | Very low | 40.9 | Very low | 162 Ų | 162 | 128 Ų | 128 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | trans | -60.4 | 92.2 | 153.9 | -102.6 | -18.6 | 0 | 0 | 0 | 106.1 | T137 S141 | T137-D139 PolarHBondContact O-N 3.1Å; D139-S141 PolarHBondContact O-N 2.95Å | ||
| 140 | V | 38.6 | Very low | 44 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 75% | 0.745 | 67% | 0.674 | S | S | * | * | trans | -68 | 91.4 | 158.4 | 179.3 | 0 | 0 | 0 | 0 | 103.8 | G138 D142 | G138-V140 PolarHBondContact O-N 3.43Å; V140-D142 VanDerWaalsContact C-N 3.32Å; V140-D142 PolarHBondContact O-N 2.78Å | ||
| 141 | S | 36.9 | Very low | 47.3 | Very low | 93 Ų | 93 | 119.7 Ų | 119.7 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | trans | -58.9 | 105.7 | 166.1 | 48.2 | 0 | 0 | 0 | 0 | 106.4 | D139 T143 | D139-S141 PolarHBondContact O-N 2.95Å; S141-T143 PolarHBondContact O-N 2.91Å | ||
| 142 | D | 37 | Very low | 50.4 | Low | 145 Ų | 145 | 113.6 Ų | 113.6 | 78% | 0.775 | 62% | 0.619 | S | S | * | * | trans | -47.3 | 96 | 166.8 | -79.1 | -36.8 | 0 | 0 | 0 | 107.6 | V140 R144 | V140-D142 VanDerWaalsContact C-N 3.32Å; V140-D142 PolarHBondContact O-N 2.78Å; D142-R144 PolarHBondContact O-N 3.45Å | ||
| 143 | T | 42.9 | Very low | 53.6 | Low | 116 Ų | 116 | 108.8 Ų | 108.8 | 71% | 0.712 | 60% | 0.602 | S | S | * | * | trans | -70.6 | 93.4 | 170 | 12 | 0 | 0 | 0 | 0 | 103.7 | S141 N145 | S141-T143 PolarHBondContact O-N 2.91Å; T143-N145 VanDerWaalsContact C-N 3.3Å; T143-N145 PolarHBondContact O-N 2.58Å | ||
| 144 | R | 43.3 | Very low | 56.8 | Low | 210 Ų | 210 | 106.1 Ų | 106.1 | 79% | 0.792 | 59% | 0.588 | S | S | * | * | trans | -55.9 | 99.4 | 172.9 | -69.3 | -179 | 179 | 172.3 | 1 | 107 | D142 E146 | D142-R144 PolarHBondContact O-N 3.45Å; R144-E146 HydrophobicContact CB-CG 4.37Å; R144-E146 PolarHBondContact O-N 3.23Å | ||
| 145 | N | 47.7 | Very low | 60 | Low | 108 Ų | 108 | 98.5 Ų | 98.5 | 58% | 0.578 | 56% | 0.564 | S | S | * | * | trans | -74.2 | 80.9 | 170.2 | -77.7 | -20.5 | 0 | 0 | 0 | 107 | T143 T147 | T143-N145 VanDerWaalsContact C-N 3.3Å; T143-N145 PolarHBondContact O-N 2.58Å; N145-T147 VanDerWaalsContact C-N 3.32Å; N145-T147 PolarHBondContact O-N 3.09Å | ||
| 146 | E | 59.9 | Low | 62.9 | Low | 104 Ų | 104 | 94.6 Ų | 94.6 | 49% | 0.486 | 54% | 0.539 | S | S | . | . | trans | -69.1 | 94.5 | 168.4 | -66.7 | -176.8 | 176.8 | 0 | 0 | 107.6 | R144 V148 | R144-E146 HydrophobicContact CB-CG 4.37Å; R144-E146 PolarHBondContact O-N 3.23Å; E146-V148 PolarHBondContact O-N 2.81Å | ||
| 147 | T | 70.2 | Confident | 66.1 | Low | 62 Ų | 62 | 93 Ų | 93 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 114.1 | 177 | 55.8 | 0 | 0 | 0 | 0 | 109.1 | Q101 N145 Q149 | Q101-T147 PolarHBondContact N-O 3.35Å; N145-T147 VanDerWaalsContact C-N 3.32Å; N145-T147 PolarHBondContact O-N 3.09Å; T147-Q149 PolarHBondContact O-N 2.87Å |
| 148 | V | 82.4 | Confident | 69.3 | Low | 57 Ų | 57 | 86.7 Ų | 86.7 | 35% | 0.345 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 117.7 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | L63 L98 L100 E146 | L63-V148 HydrophobicContact CD1-CG1 4.06Å; L98-V148 HydrophobicContact CD1-CG1 3.22Å; L98-V148 HydrophobicContact CD2-CG1 4.33Å; L98-V148 HydrophobicContact CG-CG1 3.83Å; L100-V148 HydrophobicContact CD2-CG2 3.94Å; E146-V148 PolarHBondContact O-N 2.81Å |
| 149 | Q | 87.4 | Confident | 72.5 | Confident | 88 Ų | 88 | 88.6 Ų | 88.6 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.1 | 174.7 | -167.3 | -178.7 | 13.1 | 0 | 0 | 110 | C99 T147 | C99-Q149 PolarHBondContact N-O 2.82Å; C99-Q149 PolarHBondContact O-N 3.48Å; T147-Q149 PolarHBondContact O-N 2.87Å |
| 150 | I | 92.3 | Very high | 75.5 | Confident | 4 Ų | 4 | 80.9 Ų | 80.9 | 2% | 0.021 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.7 | 171.2 | -59.8 | 170.9 | 0 | 0 | 0 | 108.3 | L27 F47 L63 H64 F96 K97 L98 V152 | L27-I150 HydrophobicContact CD1-CD1 3.74Å; L27-I150 HydrophobicContact CD2-CD1 4.2Å; F47-I150 HydrophobicContact CB-CD1 3.51Å; F47-I150 HydrophobicContact CD1-CD1 4.18Å; F47-I150 HydrophobicContact CD1-CG2 4.36Å; F47-I150 HydrophobicContact CG-CD1 3.99Å; F47-I150 HydrophobicContact CG-CG2 4.47Å; L63-I150 HydrophobicContact CB-CD1 3.63Å; L63-I150 HydrophobicContact CB-CG1 4.39Å; L63-I150 HydrophobicContact CD1-CD1 3.88Å; L63-I150 HydrophobicContact CG-CD1 4.44Å; H64-I150 HydrophobicContact CB-CB 3.78Å; H64-I150 HydrophobicContact CB-CD1 4.15Å; H64-I150 HydrophobicContact CB-CG1 4.42Å; H64-I150 HydrophobicContact CB-CG2 4.31Å; H64-I150 PolarHBondContact ND1-O 3.02Å; F96-I150 HydrophobicContact CB-CG2 4.21Å; K97-I150 WeakPolarHBondContact O-CA 3.33Å; L98-I150 HydrophobicContact CD1-CD1 4.32Å; L98-I150 HydrophobicContact CD1-CG1 3.7Å; I150-V152 HydrophobicContact CG2-CG2 4.01Å |
| 151 | T | 93.6 | Very high | 78.2 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.7 | 170 | 59.9 | 0 | 0 | 0 | 0 | 109 | F96 K97 | F96-T151 VanDerWaalsContact CA-O 3.3Å; F96-T151 WeakPolarHBondContact CA-O 3.31Å; K97-T151 PolarHBondContact N-O 2.87Å; K97-T151 PolarHBondContact O-N 2.76Å |
| 152 | V | 94.9 | Very high | 81 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 15% | 0.145 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.6 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | F47 H66 M94 R95 F96 I150 | F47-V152 HydrophobicContact CD2-CG2 4.47Å; F47-V152 HydrophobicContact CE2-CG2 3.6Å; F47-V152 HydrophobicContact CZ-CG2 3.6Å; H66-V152 HydrophobicContact CB-CB 4.44Å; H66-V152 HydrophobicContact CB-CG1 4.42Å; H66-V152 HydrophobicContact CB-CG2 4.35Å; M94-V152 HydrophobicContact CB-CG1 3.99Å; M94-V152 HydrophobicContact CG-CG1 4.28Å; M94-V152 HydrophobicContact SD-CG1 4.29Å; R95-V152 CarbonylContact O-C 3.57Å; R95-V152 WeakPolarHBondContact O-CA 3.38Å; F96-V152 HydrophobicContact CB-CG2 4.15Å; I150-V152 HydrophobicContact CG2-CG2 4.01Å |
| 153 | T | 95 | Very high | 83.7 | Confident | 79 Ų | 79 | 70 Ų | 70 | 49% | 0.485 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 130.6 | -179.4 | 51.2 | 0 | 0 | 0 | 0 | 109.9 | M94 R95 I155 | M94-T153 CarbonylContact C-O 3.57Å; M94-T153 WeakPolarHBondContact CA-O 3.2Å; R95-T153 PolarHBondContact N-O 2.94Å; R95-T153 PolarHBondContact O-N 2.95Å; R95-T153 PolarHBondContact O-OG1 2.9Å; T153-I155 PolarHBondContact O-N 2.84Å |
| 154 | N | 93.6 | Very high | 85.9 | Confident | 106 Ų | 106 | 70 Ų | 70 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 128.5 | 171.6 | -71.2 | -41.4 | 0 | 0 | 0 | 109.4 | M94 | M94-N154 WeakPolarHBondContact CG-OD1 3.47Å |
| 155 | I | 94 | Very high | 88.1 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -51.9 | -179.2 | -48.7 | 174.4 | 0 | 0 | 0 | 109.5 | V82 L93 R95 T153 | V82-I155 HydrophobicContact CG1-CD1 3.83Å; V82-I155 HydrophobicContact CG2-CD1 4.04Å; L93-I155 HydrophobicContact CB-CB 4.34Å; L93-I155 PolarHBondContact O-N 2.56Å; R95-I155 HydrophobicContact CB-CD1 3.65Å; R95-I155 HydrophobicContact CB-CG1 3.81Å; T153-I155 PolarHBondContact O-N 2.84Å |
| 156 | A | 95.1 | Very high | 90.2 | Very high | 34 Ų | 34 | 68.6 Ų | 68.6 | 28% | 0.281 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 166.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L93 L198 | L93-A156 PolarHBondContact N-O 3.09Å; L93-A156 PolarHBondContact O-N 3.35Å; A156-L198 HydrophobicContact CB-CD1 3.19Å |
| 157 | E | 95.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 66.1 Ų | 66.1 | 44% | 0.444 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.4 | 174.4 | -175 | 170.8 | 173.7 | 0 | 0 | 108.8 | R71 T90 C91 | R71-E157 IonicContact CZ-OE1 3.5Å; R71-E157 IonicContact CZ-OE2 3.76Å; R71-E157 VanDerWaalsContact NH1-CD 3.29Å; R71-E157 IonicContact NH1-OE1 3.3Å; R71-E157 PolarHBondContact NH1-OE1 3.17Å; R71-E157 IonicContact NH1-OE2 2.77Å; R71-E157 PolarHBondContact NH1-OE2 3.06Å; R71-E157 VanDerWaalsContact NH1-OE2 3.09Å; R71-E157 IonicContact NH2-OE2 2.62Å; T90-E157 WeakPolarHBondContact CB-OE1 3.28Å; T90-E157 WeakPolarHBondContact CG2-OE1 3.5Å; T90-E157 PolarHBondContact OG1-OE1 2.69Å; C91-E157 WeakPolarHBondContact O-CA 3.42Å |
| 158 | V | 96.8 | Very high | 93 | Very high | 12 Ų | 12 | 65.8 Ų | 65.8 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.4 | 176.7 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | T90 C91 L93 S160 L181 W193 L198 | T90-V158 WeakPolarHBondContact CA-O 3.16Å; C91-V158 HydrophobicContact CB-CG2 3.66Å; C91-V158 PolarHBondContact N-O 3.43Å; C91-V158 PolarHBondContact O-N 3.31Å; L93-V158 HydrophobicContact CD1-CG2 4.49Å; V158-S160 PolarHBondContact O-N 3.02Å; V158-L181 HydrophobicContact CG2-CD2 4.41Å; V158-W193 HydrophobicContact CB-CD2 4.36Å; V158-W193 HydrophobicContact CB-CE3 4.41Å; V158-W193 HydrophobicContact CB-CH2 4.06Å; V158-W193 HydrophobicContact CB-CZ2 4.04Å; V158-W193 HydrophobicContact CB-CZ3 4.25Å; V158-W193 HydrophobicContact CG1-CD2 4.37Å; V158-W193 HydrophobicContact CG1-CE3 4.2Å; V158-W193 HydrophobicContact CG1-CZ3 4.31Å; V158-W193 HydrophobicContact CG2-CD2 4.37Å; V158-W193 HydrophobicContact CG2-CZ2 4.19Å; V158-L198 HydrophobicContact CG1-CB 4.09Å; V158-L198 HydrophobicContact CG1-CD1 4.17Å; V158-L198 HydrophobicContact CG1-CD2 4.36Å; V158-L198 HydrophobicContact CG1-CG 4.45Å |
| 159 | L | 95.9 | Very high | 93.7 | Very high | 105 Ų | 105 | 63 Ų | 63 | 55% | 0.55 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 106.8 | 173.3 | -65 | 179.7 | 0 | 0 | 0 | 109.5 | T90 L162 W193 | T90-L159 HydrophobicContact CG2-CD2 3.69Å; L159-L162 HydrophobicContact CB-CD2 4.03Å; L159-L162 HydrophobicContact CD1-CD2 4.25Å; L159-W193 VanDerWaalsContact O-CZ2 3.26Å; L159-W193 WeakPolarHBondContact O-CZ2 3.21Å |
| 160 | S | 93.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -93.6 | -25 | -174.1 | 45.8 | 0 | 0 | 0 | 0 | 114.4 | G89 T90 C91 V158 Q169 R191 | G89-S160 VanDerWaalsContact C-OG 3.24Å; G89-S160 PolarHBondContact O-N 3.03Å; G89-S160 PolarHBondContact O-OG 3.07Å; T90-S160 VanDerWaalsContact CA-OG 3.31Å; T90-S160 WeakPolarHBondContact CA-OG 3.48Å; T90-S160 PolarHBondContact N-OG 3.27Å; C91-S160 PolarHBondContact N-OG 3.2Å; V158-S160 PolarHBondContact O-N 3.02Å; S160-Q169 WeakPolarHBondContact OG-CB 3.33Å; S160-Q169 PolarHBondContact OG-OE1 3.08Å; S160-R191 PolarHBondContact O-NH1 2.77Å | ||
| 161 | D | 95.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.032 | 33% | 0.332 | C | S | . | . | trans | -135 | 130.1 | 179.9 | -172.5 | 143.1 | 0 | 0 | 0 | 109 | G89 N163 P167 L168 G185 T186 | G89-D161 PolarHBondContact O-N 3.18Å; D161-N163 WeakPolarHBondContact OD2-CB 3.15Å; D161-N163 PolarHBondContact OD2-N 2.98Å; D161-P167 HydrophobicContact CB-CB 4.28Å; D161-L168 VanDerWaalsContact OD1-C 3.32Å; D161-L168 PolarHBondContact OD1-N 2.76Å; D161-G185 WeakPolarHBondContact OD1-CA 3.4Å; D161-T186 WeakPolarHBondContact OD1-CA 3.02Å; D161-T186 WeakPolarHBondContact OD1-CB 3.45Å; D161-T186 PolarHBondContact OD1-N 3.43Å; D161-T186 PolarHBondContact OD1-OG1 3.37Å; D161-T186 PolarHBondContact OD2-OG1 2.99Å | ||
| 162 | L | 95.3 | Very high | 94.7 | Very high | 89 Ų | 89 | 58.2 Ų | 58.2 | 47% | 0.466 | 32% | 0.317 | S | S | . | . | trans | -113.6 | 20.9 | -177.9 | -58.2 | -179.6 | 0 | 0 | 0 | 112.9 | L159 P164 D187 | L159-L162 HydrophobicContact CB-CD2 4.03Å; L159-L162 HydrophobicContact CD1-CD2 4.25Å; L162-P164 WeakPolarHBondContact O-CD 3.15Å; L162-D187 PolarHBondContact N-OD2 3.24Å | ||
| 163 | N | 92.8 | Very high | 94.8 | Very high | 39 Ų | 39 | 59 Ų | 59 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | trans | -61.3 | 122.3 | 174.8 | -176.8 | -16.7 | 0 | 0 | 0 | 109.9 | D161 H165 D166 P167 T186 D187 | D161-N163 WeakPolarHBondContact OD2-CB 3.15Å; D161-N163 PolarHBondContact OD2-N 2.98Å; N163-H165 PolarHBondContact O-N 2.89Å; N163-H165 PolarHBondContact OD1-N 3.07Å; N163-D166 PolarHBondContact ND2-O 3.42Å; N163-P167 HydrophobicContact CB-CB 4.36Å; N163-P167 WeakPolarHBondContact O-CB 3.48Å; N163-P167 WeakPolarHBondContact O-CD 3.49Å; N163-T186 WeakPolarHBondContact CB-OG1 3.39Å; N163-T186 PolarHBondContact ND2-OG1 3.47Å; N163-D187 HydrophobicContact CB-CB 4.21Å | ||
| 164 | P | 90.1 | Very high | 94.9 | Very high | 115 Ų | 115 | 56.3 Ų | 56.3 | 75% | 0.747 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -70.9 | -15.3 | -175.4 | 28.6 | -36.2 | 0 | 0 | 0 | 113.9 | L162 | L162-P164 WeakPolarHBondContact O-CD 3.15Š|
| 165 | H | 89.9 | Confident | 95 | Very high | 173 Ų | 173 | 51.4 Ų | 51.4 | 80% | 0.801 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -103.7 | -50 | -173.8 | -64.4 | -53 | 0 | 0 | 0 | 113.5 | N163 | N163-H165 PolarHBondContact O-N 2.89Å; N163-H165 PolarHBondContact OD1-N 3.07Å |
| 166 | D | 90.8 | Very high | 94.9 | Very high | 116 Ų | 116 | 50.9 Ų | 50.9 | 62% | 0.62 | 27% | 0.274 | S | S | * | . | trans | -148.9 | 75.6 | -175.4 | -170.6 | 25.8 | 0 | 0 | 0 | 109.7 | N163 L168 T186 | N163-D166 PolarHBondContact ND2-O 3.42Å; D166-L168 PolarHBondContact O-N 3.09Å; D166-T186 PolarHBondContact O-OG1 3.09Å | ||
| 167 | P | 94.1 | Very high | 94.8 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 34% | 0.338 | 28% | 0.279 | S | S | . | . | trans | -72.7 | 124.8 | -176.8 | 30.2 | -33.8 | 0 | 0 | 0 | 110.7 | D88 G89 D161 N163 | D88-P167 CarbonylContact C-O 3.47Å; G89-P167 PolarHBondContact N-O 3.43Å; D161-P167 HydrophobicContact CB-CB 4.28Å; N163-P167 HydrophobicContact CB-CB 4.36Å; N163-P167 WeakPolarHBondContact O-CB 3.48Å; N163-P167 WeakPolarHBondContact O-CD 3.49Å | ||
| 168 | L | 95.6 | Very high | 94.7 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 28% | 0.283 | 26% | 0.264 | S | S | . | . | trans | -146.4 | 113 | 179.4 | 179.3 | 67.3 | 0 | 0 | 0 | 110.6 | I74 D88 D161 D166 K170 G185 T186 | I74-L168 HydrophobicContact CG1-CD1 4.25Å; D88-L168 CarbonylContact O-C 3.55Å; D88-L168 WeakPolarHBondContact O-CA 3.26Å; D161-L168 VanDerWaalsContact OD1-C 3.32Å; D161-L168 PolarHBondContact OD1-N 2.76Å; D166-L168 PolarHBondContact O-N 3.09Å; L168-K170 HydrophobicContact CD2-CG 4.36Å; L168-K170 HydrophobicContact CG-CG 4.29Å; L168-K170 PolarHBondContact O-N 3.42Å; L168-G185 VanDerWaalsContact O-CA 3.23Å; L168-G185 WeakPolarHBondContact O-CA 3.43Å; L168-T186 HydrophobicContact CB-CG2 3.77Å; L168-T186 PolarHBondContact O-N 3.44Å | ||
| 169 | Q | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 122.9 | 166.6 | -174 | 178.9 | -87.4 | 0 | 0 | 108.9 | N75 D88 S160 T183 | N75-Q169 PolarHBondContact ND2-O 2.88Å; N75-Q169 PolarHBondContact OD1-NE2 2.93Å; D88-Q169 PolarHBondContact O-N 2.9Å; S160-Q169 WeakPolarHBondContact OG-CB 3.33Å; S160-Q169 PolarHBondContact OG-OE1 3.08Å; Q169-T183 VanDerWaalsContact OE1-CG2 3.27Å |
| 170 | K | 97.4 | Very high | 94.7 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -24.8 | -178.7 | -71 | 179.6 | 66.2 | -165.1 | 0 | 113 | N75 L168 G184 T186 E210 I211 D212 | N75-K170 WeakPolarHBondContact ND2-CA 3.46Å; N75-K170 PolarHBondContact ND2-O 2.84Å; L168-K170 HydrophobicContact CD2-CG 4.36Å; L168-K170 HydrophobicContact CG-CG 4.29Å; L168-K170 PolarHBondContact O-N 3.42Å; K170-G184 PolarHBondContact N-O 3.47Å; K170-T186 HydrophobicContact CD-CG2 4.18Å; K170-E210 HydrophobicContact CD-CB 4.33Å; K170-E210 IonicContact NZ-OE2 3.43Å; K170-E210 PolarHBondContact NZ-OE2 3.27Å; K170-I211 VanDerWaalsContact CD-O 3.31Å; K170-I211 WeakPolarHBondContact CD-O 3.35Å; K170-I211 VanDerWaalsContact CE-O 3.3Å; K170-I211 WeakPolarHBondContact CE-O 3.41Å; K170-I211 PolarHBondContact NZ-O 3.32Å; K170-I211 VanDerWaalsContact NZ-O 3.12Å; K170-D212 IonicContact NZ-OD1 3.9Å; K170-D212 PolarHBondContact NZ-OD1 3.17Å |
| 171 | V | 97.9 | Very high | 95 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 142.9 | 179.9 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | R173 G184 I211 L214 | V171-R173 HydrophobicContact CG2-CG 4.47Å; V171-G184 PolarHBondContact N-O 3.01Å; V171-G184 PolarHBondContact O-N 3.02Å; V171-I211 HydrophobicContact CG1-CG2 4.07Å; V171-L214 HydrophobicContact CB-CG 4.31Å; V171-L214 HydrophobicContact CG1-CB 4.35Å; V171-L214 HydrophobicContact CG1-CD2 3.5Å; V171-L214 VanDerWaalsContact CG1-CD2 3.5Å; V171-L214 HydrophobicContact CG1-CG 3.59Å; V171-L214 HydrophobicContact CG2-CD1 4.35Å; V171-L214 HydrophobicContact CG2-CD2 4.49Å; V171-L214 HydrophobicContact CG2-CG 3.77Å |
| 172 | V | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 138.8 | 169.9 | 60.8 | 0 | 0 | 0 | 0 | 110.3 | N75 A77 A84 L181 L182 T183 | N75-V172 WeakPolarHBondContact OD1-CG1 3.25Å; A77-V172 HydrophobicContact CB-CG1 4.16Å; A77-V172 HydrophobicContact CB-CG2 4.34Å; A84-V172 HydrophobicContact CB-CG2 3.83Å; V172-L181 HydrophobicContact CG2-CD1 3.5Å; V172-L181 VanDerWaalsContact CG2-CD1 3.5Å; V172-L181 HydrophobicContact CG2-CG 4.26Å; V172-L182 VanDerWaalsContact CA-O 3.25Å; V172-L182 WeakPolarHBondContact CA-O 3.47Å; V172-T183 HydrophobicContact CG2-CG2 4.09Å |
| 173 | R | 97.5 | Very high | 95.2 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 15% | 0.151 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 143.5 | 175 | -65.4 | -67.6 | 172.4 | -114.1 | 4.9 | 110.1 | M76 V171 L182 L214 | M76-R173 PolarHBondContact O-NH1 3.1Å; V171-R173 HydrophobicContact CG2-CG 4.47Å; R173-L182 PolarHBondContact N-O 2.81Å; R173-L182 PolarHBondContact O-N 2.96Å; R173-L214 HydrophobicContact CB-CD1 3.82Å; R173-L214 HydrophobicContact CG-CD1 3.67Å |
| 174 | F | 97.2 | Very high | 95.5 | Very high | 23 Ų | 23 | 43 Ų | 43 | 10% | 0.101 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 153.6 | 161.1 | -72.3 | -72 | 0 | 0 | 0 | 109.4 | A77 V82 A84 M178 L180 L181 F195 | A77-F174 HydrophobicContact CB-CD2 3.78Å; A77-F174 HydrophobicContact CB-CE2 4.07Å; V82-F174 HydrophobicContact CG1-CZ 4.09Å; A84-F174 HydrophobicContact CB-CE2 3.97Å; A84-F174 HydrophobicContact CB-CZ 3.8Å; F174-M178 HydrophobicContact CB-CE 4.33Å; F174-M178 HydrophobicContact CB-SD 3.52Å; F174-M178 VanDerWaalsContact CB-SD 3.52Å; F174-M178 HydrophobicContact CD1-CE 3.76Å; F174-M178 HydrophobicContact CD1-SD 4.07Å; F174-M178 HydrophobicContact CD2-CE 4.03Å; F174-M178 HydrophobicContact CD2-SD 4.08Å; F174-M178 HydrophobicContact CE1-CE 4Å; F174-M178 HydrophobicContact CE2-CE 4.27Å; F174-M178 HydrophobicContact CG-CE 3.78Å; F174-M178 HydrophobicContact CG-SD 3.64Å; F174-M178 HydrophobicContact CZ-CE 4.25Å; F174-L180 CarbonylContact C-O 3.32Å; F174-L180 WeakPolarHBondContact CA-O 3.16Å; F174-L181 HydrophobicContact CD1-CD1 3.9Å; F174-L181 HydrophobicContact CE1-CD1 3.69Å; F174-L181 HydrophobicContact CG-CD1 4.46Å; F174-L181 HydrophobicContact CZ-CD1 4.08Å; F174-F195 AromaticContact CE1-CD2 3.9Å; F174-F195 HydrophobicContact CE1-CD2 3.9Å; F174-F195 AromaticContact CE1-CE2 3.98Å; F174-F195 HydrophobicContact CE1-CE2 3.98Å; F174-F195 HydrophobicContact CE1-CG 4.19Å; F174-F195 HydrophobicContact CE1-CZ 4.3Å; F174-F195 HydrophobicContact CZ-CE2 4.48Å |
| 175 | S | 95.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | trans | -65.7 | 152.7 | 162.7 | 59.4 | 0 | 0 | 0 | 0 | 111.2 | D177 M178 N179 L180 | S175-D177 WeakPolarHBondContact CB-OD1 3.36Å; S175-D177 PolarHBondContact O-N 3.31Å; S175-D177 VanDerWaalsContact O-N 3.13Å; S175-D177 PolarHBondContact OG-OD1 2.88Å; S175-M178 PolarHBondContact O-N 2.89Å; S175-M178 PolarHBondContact OG-N 3.44Å; S175-N179 PolarHBondContact OG-N 3.3Å; S175-L180 PolarHBondContact N-O 2.99Å; S175-L180 PolarHBondContact OG-N 3.25Å; S175-L180 PolarHBondContact OG-O 3.43Å | ||
| 176 | P | 91.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 30.2 Ų | 30.2 | 44% | 0.442 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.2 | 177.9 | -29.7 | 39.9 | 0 | 0 | 0 | 114.7 | M216 T218 | P176-M216 VanDerWaalsContact CD-CE 3.4Å; P176-T218 HydrophobicContact CB-CG2 3.64Å; P176-T218 HydrophobicContact CG-CG2 3.6Å |
| 177 | D | 92.6 | Very high | 96.5 | Very high | 72 Ų | 72 | 26.1 Ų | 26.1 | 39% | 0.385 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5 | 175.5 | 64.7 | -14.7 | 0 | 0 | 0 | 113.5 | S175 N179 | S175-D177 WeakPolarHBondContact CB-OD1 3.36Å; S175-D177 PolarHBondContact O-N 3.31Å; S175-D177 VanDerWaalsContact O-N 3.13Å; S175-D177 PolarHBondContact OG-OD1 2.88Å; D177-N179 PolarHBondContact O-N 3.05Å; D177-N179 VanDerWaalsContact O-N 3.1Å; D177-N179 PolarHBondContact OD1-N 3.36Å; D177-N179 PolarHBondContact OD2-ND2 2.91Å |
| 178 | M | 94.5 | Very high | 96.6 | Very high | 25 Ų | 25 | 23.6 Ų | 23.6 | 12% | 0.123 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 56.5 | 21.3 | -179 | -67.6 | -65.7 | -60.4 | 0 | 0 | 114.6 | G79 D80 F174 S175 F195 | G79-M178 VanDerWaalsContact C-CE 3.44Å; G79-M178 WeakPolarHBondContact O-CE 3.49Å; D80-M178 HydrophobicContact CB-CE 4.2Å; D80-M178 WeakPolarHBondContact OD2-CG 3.4Å; F174-M178 HydrophobicContact CB-CE 4.33Å; F174-M178 HydrophobicContact CB-SD 3.52Å; F174-M178 VanDerWaalsContact CB-SD 3.52Å; F174-M178 HydrophobicContact CD1-CE 3.76Å; F174-M178 HydrophobicContact CD1-SD 4.07Å; F174-M178 HydrophobicContact CD2-CE 4.03Å; F174-M178 HydrophobicContact CD2-SD 4.08Å; F174-M178 HydrophobicContact CE1-CE 4Å; F174-M178 HydrophobicContact CE2-CE 4.27Å; F174-M178 HydrophobicContact CG-CE 3.78Å; F174-M178 HydrophobicContact CG-SD 3.64Å; F174-M178 HydrophobicContact CZ-CE 4.25Å; S175-M178 PolarHBondContact O-N 2.89Å; S175-M178 PolarHBondContact OG-N 3.44Å; M178-F195 HydrophobicContact CE-CE1 4.17Å; M178-F195 WeakPolarHBondContact O-CD1 3.46Å |
| 179 | N | 95.9 | Very high | 96.7 | Very high | 88 Ų | 88 | 25.1 Ų | 25.1 | 47% | 0.471 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -95 | -14.4 | 179 | -67.6 | -37 | 0 | 0 | 0 | 113.8 | S175 D177 F195 | S175-N179 PolarHBondContact OG-N 3.3Å; D177-N179 PolarHBondContact O-N 3.05Å; D177-N179 VanDerWaalsContact O-N 3.1Å; D177-N179 PolarHBondContact OD1-N 3.36Å; D177-N179 PolarHBondContact OD2-ND2 2.91Å; N179-F195 PolarHBondContact O-N 2.9Å |
| 180 | L | 96.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 25.1 Ų | 25.1 | 15% | 0.147 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.2 | -178.4 | -53.7 | 171.5 | 0 | 0 | 0 | 110.9 | F174 S175 V192 W193 K201 | F174-L180 CarbonylContact C-O 3.32Å; F174-L180 WeakPolarHBondContact CA-O 3.16Å; S175-L180 PolarHBondContact N-O 2.99Å; S175-L180 PolarHBondContact OG-N 3.25Å; S175-L180 PolarHBondContact OG-O 3.43Å; L180-V192 HydrophobicContact CB-CG1 4.25Å; L180-V192 HydrophobicContact CD1-CG1 4.16Å; L180-V192 HydrophobicContact CD2-CG1 4Å; L180-V192 HydrophobicContact CG-CG1 4.38Å; L180-W193 CarbonylContact C-O 3.59Å; L180-W193 VanDerWaalsContact CA-O 3.24Å; L180-W193 WeakPolarHBondContact CA-O 3.41Å; L180-K201 HydrophobicContact CD2-CD 3.95Å |
| 181 | L | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.4 | 164.8 | -179 | 72.4 | 0 | 0 | 0 | 108.4 | A84 L93 V158 V172 F174 T183 V192 W193 L198 | A84-L181 HydrophobicContact CB-CD1 3.64Å; L93-L181 HydrophobicContact CD1-CD2 4.06Å; L93-L181 HydrophobicContact CD2-CD2 4.29Å; V158-L181 HydrophobicContact CG2-CD2 4.41Å; V172-L181 HydrophobicContact CG2-CD1 3.5Å; V172-L181 VanDerWaalsContact CG2-CD1 3.5Å; V172-L181 HydrophobicContact CG2-CG 4.26Å; F174-L181 HydrophobicContact CD1-CD1 3.9Å; F174-L181 HydrophobicContact CE1-CD1 3.69Å; F174-L181 HydrophobicContact CG-CD1 4.46Å; F174-L181 HydrophobicContact CZ-CD1 4.08Å; L181-T183 HydrophobicContact CD2-CG2 4.42Å; L181-T183 HydrophobicContact CG-CG2 4.33Å; L181-V192 WeakPolarHBondContact O-CA 3.18Å; L181-W193 HydrophobicContact CB-CB 4.19Å; L181-W193 PolarHBondContact N-O 3.16Å; L181-W193 VanDerWaalsContact O-CD1 3.31Å; L181-W193 PolarHBondContact O-N 3.05Å; L181-L198 HydrophobicContact CD2-CD2 4.13Å |
| 182 | L | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.9 | 179.8 | -53.8 | 175.7 | 0 | 0 | 0 | 108.9 | V172 R173 V192 L214 M216 L223 | V172-L182 VanDerWaalsContact CA-O 3.25Å; V172-L182 WeakPolarHBondContact CA-O 3.47Å; R173-L182 PolarHBondContact N-O 2.81Å; R173-L182 PolarHBondContact O-N 2.96Å; L182-V192 HydrophobicContact CD2-CB 4.11Å; L182-V192 HydrophobicContact CD2-CG1 3.75Å; L182-V192 HydrophobicContact CD2-CG2 3.62Å; L182-L214 HydrophobicContact CB-CD1 3.82Å; L182-L214 HydrophobicContact CB-CD2 4.44Å; L182-L214 HydrophobicContact CD1-CD1 4.08Å; L182-M216 HydrophobicContact CD1-CB 3.93Å; L182-M216 HydrophobicContact CD1-CG 4.45Å; L182-M216 HydrophobicContact CD1-SD 4.03Å; L182-L223 HydrophobicContact CD1-CD1 3.82Å |
| 183 | T | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.6 | 178.1 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | C91 Q169 V172 L181 R191 W193 | C91-T183 HydrophobicContact CB-CG2 4.24Å; Q169-T183 VanDerWaalsContact OE1-CG2 3.27Å; V172-T183 HydrophobicContact CG2-CG2 4.09Å; L181-T183 HydrophobicContact CD2-CG2 4.42Å; L181-T183 HydrophobicContact CG-CG2 4.33Å; T183-R191 PolarHBondContact N-O 2.82Å; T183-R191 PolarHBondContact O-N 2.88Å; T183-R191 WeakPolarHBondContact OG1-CB 3.49Å; T183-R191 PolarHBondContact OG1-O 2.95Å; T183-W193 PolarHBondContact OG1-NE1 2.72Å; T183-W193 VanDerWaalsContact OG1-NE1 3.08Å |
| 184 | G | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 147.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K170 V171 | K170-G184 PolarHBondContact N-O 3.47Å; V171-G184 PolarHBondContact N-O 3.01Å; V171-G184 PolarHBondContact O-N 3.02Å |
| 185 | G | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | -153.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114.3 | D161 L168 I211 | D161-G185 WeakPolarHBondContact OD1-CA 3.4Å; L168-G185 VanDerWaalsContact O-CA 3.23Å; L168-G185 WeakPolarHBondContact O-CA 3.43Å; G185-I211 PolarHBondContact O-N 2.97Å |
| 186 | T | 97.6 | Very high | 96.7 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 12% | 0.117 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -26.2 | -177.9 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | D161 N163 D166 L168 K170 G188 E210 | D161-T186 WeakPolarHBondContact OD1-CA 3.02Å; D161-T186 WeakPolarHBondContact OD1-CB 3.45Å; D161-T186 PolarHBondContact OD1-N 3.43Å; D161-T186 PolarHBondContact OD1-OG1 3.37Å; D161-T186 PolarHBondContact OD2-OG1 2.99Å; N163-T186 WeakPolarHBondContact CB-OG1 3.39Å; N163-T186 PolarHBondContact ND2-OG1 3.47Å; D166-T186 PolarHBondContact O-OG1 3.09Å; L168-T186 HydrophobicContact CB-CG2 3.77Å; L168-T186 PolarHBondContact O-N 3.44Å; K170-T186 HydrophobicContact CD-CG2 4.18Å; T186-G188 PolarHBondContact O-N 2.92Å; T186-E210 HydrophobicContact CG2-CG 4.18Å |
| 187 | D | 97.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 16% | 0.16 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.2 | 179.8 | 65.9 | 2.9 | 0 | 0 | 0 | 114.4 | L162 N163 Y189 R191 | L162-D187 PolarHBondContact N-OD2 3.24Å; N163-D187 HydrophobicContact CB-CB 4.21Å; D187-Y189 VanDerWaalsContact C-N 3.29Å; D187-Y189 HydrophobicContact CB-CD2 4.36Å; D187-Y189 WeakPolarHBondContact O-CD2 3.32Å; D187-Y189 PolarHBondContact OD1-N 2.78Å; D187-R191 IonicContact OD1-NH1 2.76Å; D187-R191 IonicContact OD2-CZ 3.08Å; D187-R191 IonicContact OD2-NH1 3.23Å; D187-R191 PolarHBondContact OD2-NH1 2.94Å; D187-R191 IonicContact OD2-NH2 3.56Å; D187-R191 PolarHBondContact OD2-NH2 3.01Å |
| 188 | G | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | 81 | 5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T186 A206 H207 K209 | T186-G188 PolarHBondContact O-N 2.92Å; G188-A206 PolarHBondContact O-N 2.78Å; G188-H207 PolarHBondContact O-N 2.83Å; G188-H207 VanDerWaalsContact O-N 3.1Å; G188-K209 VanDerWaalsContact CA-O 3.3Å; G188-K209 WeakPolarHBondContact CA-O 3.36Å | ||
| 189 | Y | 98.1 | Very high | 97.1 | Very high | 85 Ų | 85 | 33.6 Ų | 33.6 | 33% | 0.333 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 141.8 | 178.9 | -77 | -110.1 | 0 | 0 | 0 | 111.3 | D187 D203 F204 K205 I211 | D187-Y189 VanDerWaalsContact C-N 3.29Å; D187-Y189 HydrophobicContact CB-CD2 4.36Å; D187-Y189 WeakPolarHBondContact O-CD2 3.32Å; D187-Y189 PolarHBondContact OD1-N 2.78Å; Y189-D203 WeakPolarHBondContact CD1-OD1 3.42Å; Y189-F204 WeakPolarHBondContact CA-O 3.47Å; Y189-F204 VanDerWaalsContact CD1-C 3.4Å; Y189-K205 HydrophobicContact CD1-CB 4.24Å; Y189-K205 HydrophobicContact CD2-CB 4.41Å; Y189-K205 HydrophobicContact CD2-CG 4.24Å; Y189-K205 HydrophobicContact CE1-CB 3.82Å; Y189-K205 HydrophobicContact CE2-CB 4Å; Y189-K205 HydrophobicContact CE2-CD 4.16Å; Y189-K205 HydrophobicContact CE2-CG 3.82Å; Y189-I211 WeakPolarHBondContact O-CD1 3.34Å |
| 190 | I | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130.5 | 164.8 | -63.6 | 168.4 | 0 | 0 | 0 | 107.3 | V192 F204 A206 I211 L223 T225 | I190-V192 HydrophobicContact CG2-CG2 3.98Å; I190-F204 HydrophobicContact CB-CE1 4.11Å; I190-F204 HydrophobicContact CB-CE2 4.31Å; I190-F204 HydrophobicContact CB-CZ 3.95Å; I190-F204 HydrophobicContact CD1-CE2 3.9Å; I190-F204 HydrophobicContact CD1-CZ 3.83Å; I190-F204 HydrophobicContact CG1-CZ 4.49Å; I190-F204 HydrophobicContact CG2-CE1 4.13Å; I190-F204 HydrophobicContact CG2-CZ 4.13Å; I190-F204 PolarHBondContact N-O 3.44Å; I190-F204 PolarHBondContact O-N 3.26Å; I190-F204 VanDerWaalsContact O-N 3.16Å; I190-A206 HydrophobicContact CB-CB 4.44Å; I190-A206 HydrophobicContact CD1-CB 3.25Å; I190-A206 HydrophobicContact CG1-CB 3.53Å; I190-I211 HydrophobicContact CG1-CD1 3.61Å; I190-L223 HydrophobicContact CD1-CD2 3.96Å; I190-L223 HydrophobicContact CG2-CD2 4.01Å; I190-T225 HydrophobicContact CD1-CG2 3.19Å; I190-T225 HydrophobicContact CG1-CG2 4.1Å |
| 191 | R | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.8 | 170.8 | -61.3 | 177.5 | 178.9 | 88.6 | 7.8 | 109.2 | S160 T183 D187 W193 F202 D203 | S160-R191 PolarHBondContact O-NH1 2.77Å; T183-R191 PolarHBondContact N-O 2.82Å; T183-R191 PolarHBondContact O-N 2.88Å; T183-R191 WeakPolarHBondContact OG1-CB 3.49Å; T183-R191 PolarHBondContact OG1-O 2.95Å; D187-R191 IonicContact OD1-NH1 2.76Å; D187-R191 IonicContact OD2-CZ 3.08Å; D187-R191 IonicContact OD2-NH1 3.23Å; D187-R191 PolarHBondContact OD2-NH1 2.94Å; D187-R191 IonicContact OD2-NH2 3.56Å; D187-R191 PolarHBondContact OD2-NH2 3.01Å; R191-W193 HydrophobicContact CB-CZ2 3.85Å; R191-W193 HydrophobicContact CG-CZ2 4.47Å; R191-F202 WeakPolarHBondContact CA-O 3.34Å; R191-D203 IonicContact CZ-OD1 2.77Å; R191-D203 IonicContact NE-OD1 3.21Å; R191-D203 PolarHBondContact NE-OD1 2.69Å; R191-D203 IonicContact NE-OD2 3.89Å; R191-D203 PolarHBondContact NE-OD2 2.95Å; R191-D203 IonicContact NH2-OD1 3.46Å |
| 192 | V | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.6 | 179.8 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | L180 L181 L182 I190 K201 F202 | L180-V192 HydrophobicContact CB-CG1 4.25Å; L180-V192 HydrophobicContact CD1-CG1 4.16Å; L180-V192 HydrophobicContact CD2-CG1 4Å; L180-V192 HydrophobicContact CG-CG1 4.38Å; L181-V192 WeakPolarHBondContact O-CA 3.18Å; L182-V192 HydrophobicContact CD2-CB 4.11Å; L182-V192 HydrophobicContact CD2-CG1 3.75Å; L182-V192 HydrophobicContact CD2-CG2 3.62Å; I190-V192 HydrophobicContact CG2-CG2 3.98Å; V192-K201 HydrophobicContact CG1-CB 4.31Å; V192-K201 PolarHBondContact O-N 3.11Å; V192-F202 HydrophobicContact CB-CB 3.97Å; V192-F202 HydrophobicContact CB-CD2 3.99Å; V192-F202 HydrophobicContact CB-CG 4.45Å; V192-F202 HydrophobicContact CG1-CD2 4.22Å; V192-F202 HydrophobicContact CG2-CB 4.02Å; V192-F202 HydrophobicContact CG2-CD2 4.07Å; V192-F202 PolarHBondContact N-O 2.87Å; V192-F202 PolarHBondContact O-N 3.3Å; V192-F202 VanDerWaalsContact O-N 3.15Å |
| 193 | W | 97.8 | Very high | 97.1 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.8 | -179.5 | -42.1 | 85.6 | 0 | 0 | 0 | 108.5 | V158 L159 L180 L181 T183 R191 L198 E199 K200 | V158-W193 HydrophobicContact CB-CD2 4.36Å; V158-W193 HydrophobicContact CB-CE3 4.41Å; V158-W193 HydrophobicContact CB-CH2 4.06Å; V158-W193 HydrophobicContact CB-CZ2 4.04Å; V158-W193 HydrophobicContact CB-CZ3 4.25Å; V158-W193 HydrophobicContact CG1-CD2 4.37Å; V158-W193 HydrophobicContact CG1-CE3 4.2Å; V158-W193 HydrophobicContact CG1-CZ3 4.31Å; V158-W193 HydrophobicContact CG2-CD2 4.37Å; V158-W193 HydrophobicContact CG2-CZ2 4.19Å; L159-W193 VanDerWaalsContact O-CZ2 3.26Å; L159-W193 WeakPolarHBondContact O-CZ2 3.21Å; L180-W193 CarbonylContact C-O 3.59Å; L180-W193 VanDerWaalsContact CA-O 3.24Å; L180-W193 WeakPolarHBondContact CA-O 3.41Å; L181-W193 HydrophobicContact CB-CB 4.19Å; L181-W193 PolarHBondContact N-O 3.16Å; L181-W193 VanDerWaalsContact O-CD1 3.31Å; L181-W193 PolarHBondContact O-N 3.05Å; T183-W193 PolarHBondContact OG1-NE1 2.72Å; T183-W193 VanDerWaalsContact OG1-NE1 3.08Å; R191-W193 HydrophobicContact CB-CZ2 3.85Å; R191-W193 HydrophobicContact CG-CZ2 4.47Å; W193-L198 HydrophobicContact CB-CD2 4.35Å; W193-E199 CarbonylContact C-O 3.32Å; W193-E199 WeakPolarHBondContact CA-O 3.28Å; W193-K200 HydrophobicContact CE3-CB 3.79Å; W193-K200 HydrophobicContact CE3-CG 4.03Å; W193-K200 HydrophobicContact CH2-CD 4.37Å; W193-K200 VanDerWaalsContact CH2-CE 3.42Å; W193-K200 HydrophobicContact CH2-CG 4.34Å; W193-K200 HydrophobicContact CZ3-CB 3.72Å; W193-K200 HydrophobicContact CZ3-CD 4.34Å; W193-K200 HydrophobicContact CZ3-CG 3.93Å |
| 194 | E | 97.1 | Very high | 97.1 | Very high | 78 Ų | 78 | 43 Ų | 43 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 139.4 | 166.6 | -60 | -164.5 | 163 | 0 | 0 | 109.1 | S197 L198 E199 K201 | E194-S197 WeakPolarHBondContact CB-OG 3.49Å; E194-L198 WeakPolarHBondContact O-CA 3.37Å; E194-L198 PolarHBondContact O-N 2.71Å; E194-E199 PolarHBondContact N-O 3.32Å; E194-K201 HydrophobicContact CG-CB 4.02Å; E194-K201 HydrophobicContact CG-CD 4.3Å; E194-K201 HydrophobicContact CG-CG 4.48Å |
| 195 | F | 96.1 | Very high | 97 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 132.9 | 178.2 | -176.2 | -91 | 0 | 0 | 0 | 109 | V82 L93 F174 M178 N179 L198 | V82-F195 HydrophobicContact CB-CZ 4.2Å; V82-F195 HydrophobicContact CG1-CE2 4.16Å; V82-F195 HydrophobicContact CG1-CZ 3.97Å; V82-F195 HydrophobicContact CG2-CZ 4.06Å; L93-F195 HydrophobicContact CD2-CD2 3.95Å; L93-F195 HydrophobicContact CD2-CE2 3.57Å; F174-F195 AromaticContact CE1-CD2 3.9Å; F174-F195 HydrophobicContact CE1-CD2 3.9Å; F174-F195 AromaticContact CE1-CE2 3.98Å; F174-F195 HydrophobicContact CE1-CE2 3.98Å; F174-F195 HydrophobicContact CE1-CG 4.19Å; F174-F195 HydrophobicContact CE1-CZ 4.3Å; F174-F195 HydrophobicContact CZ-CE2 4.48Å; M178-F195 HydrophobicContact CE-CE1 4.17Å; M178-F195 WeakPolarHBondContact O-CD1 3.46Å; N179-F195 PolarHBondContact O-N 2.9Å; F195-L198 HydrophobicContact CD2-CD2 4.21Å |
| 196 | P | 95 | Very high | 97 | Very high | 99 Ų | 99 | 47.5 Ų | 47.5 | 64% | 0.643 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -93.3 | 1.7 | 11.3 | 36.8 | -36.9 | 0 | 0 | 0 | 116.2 | L198 | P196-L198 VanDerWaalsContact C-N 3.26Å; P196-L198 PolarHBondContact O-N 2.96Å |
| 197 | S | 95.6 | Very high | 97.1 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 46% | 0.462 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.9 | -175.4 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | E194 E199 | E194-S197 WeakPolarHBondContact CB-OG 3.49Å; S197-E199 PolarHBondContact O-N 2.77Å |
| 198 | L | 95.8 | Very high | 97.1 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | trans | 59.4 | 25.6 | -173.7 | -59.3 | 171.1 | 0 | 0 | 0 | 113.5 | L93 A156 V158 L181 W193 E194 F195 P196 | L93-L198 HydrophobicContact CD1-CD1 3.92Å; L93-L198 HydrophobicContact CD1-CD2 4.11Å; L93-L198 HydrophobicContact CD2-CD1 4.24Å; L93-L198 HydrophobicContact CD2-CD2 3.93Å; A156-L198 HydrophobicContact CB-CD1 3.19Å; V158-L198 HydrophobicContact CG1-CB 4.09Å; V158-L198 HydrophobicContact CG1-CD1 4.17Å; V158-L198 HydrophobicContact CG1-CD2 4.36Å; V158-L198 HydrophobicContact CG1-CG 4.45Å; L181-L198 HydrophobicContact CD2-CD2 4.13Å; W193-L198 HydrophobicContact CB-CD2 4.35Å; E194-L198 WeakPolarHBondContact O-CA 3.37Å; E194-L198 PolarHBondContact O-N 2.71Å; F195-L198 HydrophobicContact CD2-CD2 4.21Å; P196-L198 VanDerWaalsContact C-N 3.26Å; P196-L198 PolarHBondContact O-N 2.96Å | ||
| 199 | E | 96.5 | Very high | 97 | Very high | 129 Ų | 129 | 57 Ų | 57 | 60% | 0.603 | 28% | 0.275 | S | S | * | . | trans | -70.2 | 132.2 | 169.4 | -69.5 | -174.8 | -168.9 | 0 | 0 | 109.7 | W193 E194 S197 K201 | W193-E199 CarbonylContact C-O 3.32Å; W193-E199 WeakPolarHBondContact CA-O 3.28Å; E194-E199 PolarHBondContact N-O 3.32Å; S197-E199 PolarHBondContact O-N 2.77Å; E199-K201 PolarHBondContact O-N 3.35Å; E199-K201 VanDerWaalsContact O-N 3.11Å | ||
| 200 | K | 96.9 | Very high | 97 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 108.5 | -178.9 | -165.2 | -173.6 | -60 | -176.6 | 0 | 109.5 | W193 D203 | W193-K200 HydrophobicContact CE3-CB 3.79Å; W193-K200 HydrophobicContact CE3-CG 4.03Å; W193-K200 HydrophobicContact CH2-CD 4.37Å; W193-K200 VanDerWaalsContact CH2-CE 3.42Å; W193-K200 HydrophobicContact CH2-CG 4.34Å; W193-K200 HydrophobicContact CZ3-CB 3.72Å; W193-K200 HydrophobicContact CZ3-CD 4.34Å; W193-K200 HydrophobicContact CZ3-CG 3.93Å; K200-D203 HydrophobicContact CD-CB 3.78Å; K200-D203 IonicContact NZ-OD2 2.79Å; K200-D203 PolarHBondContact NZ-OD2 3.15Å |
| 201 | K | 96.8 | Very high | 97 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -46.3 | 177.5 | -169.2 | 177 | -178.6 | -178.7 | 0 | 111.9 | L180 V192 E194 E199 | L180-K201 HydrophobicContact CD2-CD 3.95Å; V192-K201 HydrophobicContact CG1-CB 4.31Å; V192-K201 PolarHBondContact O-N 3.11Å; E194-K201 HydrophobicContact CG-CB 4.02Å; E194-K201 HydrophobicContact CG-CD 4.3Å; E194-K201 HydrophobicContact CG-CG 4.48Å; E199-K201 PolarHBondContact O-N 3.35Å; E199-K201 VanDerWaalsContact O-N 3.11Å |
| 202 | F | 97.1 | Very high | 96.9 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 18% | 0.184 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 146.2 | 180 | -57.5 | -58.4 | 0 | 0 | 0 | 112.2 | R191 V192 F204 D237 N238 | R191-F202 WeakPolarHBondContact CA-O 3.34Å; V192-F202 HydrophobicContact CB-CB 3.97Å; V192-F202 HydrophobicContact CB-CD2 3.99Å; V192-F202 HydrophobicContact CB-CG 4.45Å; V192-F202 HydrophobicContact CG1-CD2 4.22Å; V192-F202 HydrophobicContact CG2-CB 4.02Å; V192-F202 HydrophobicContact CG2-CD2 4.07Å; V192-F202 PolarHBondContact N-O 2.87Å; V192-F202 PolarHBondContact O-N 3.3Å; V192-F202 VanDerWaalsContact O-N 3.15Å; F202-F204 HydrophobicContact CB-CD1 3.96Å; F202-F204 HydrophobicContact CB-CE1 4.14Å; F202-D237 HydrophobicContact CE2-CB 3.69Å; F202-D237 HydrophobicContact CZ-CB 3.68Å; F202-N238 HydrophobicContact CD1-CB 3.91Å; F202-N238 HydrophobicContact CE1-CB 4.25Å; F202-N238 HydrophobicContact CG-CB 4.17Å |
| 203 | D | 97.3 | Very high | 96.9 | Very high | 65 Ų | 65 | 56.7 Ų | 56.7 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 102.4 | 171.6 | -156.9 | -29.8 | 0 | 0 | 0 | 107.3 | Y189 R191 K200 | Y189-D203 WeakPolarHBondContact CD1-OD1 3.42Å; R191-D203 IonicContact CZ-OD1 2.77Å; R191-D203 IonicContact NE-OD1 3.21Å; R191-D203 PolarHBondContact NE-OD1 2.69Å; R191-D203 IonicContact NE-OD2 3.89Å; R191-D203 PolarHBondContact NE-OD2 2.95Å; R191-D203 IonicContact NH2-OD1 3.46Å; K200-D203 HydrophobicContact CD-CB 3.78Å; K200-D203 IonicContact NZ-OD2 2.79Å; K200-D203 PolarHBondContact NZ-OD2 3.15Å |
| 204 | F | 97.9 | Very high | 97 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149 | -176.3 | 66.3 | -85.4 | 0 | 0 | 0 | 112.1 | Y189 I190 F202 A206 W235 N238 | Y189-F204 WeakPolarHBondContact CA-O 3.47Å; Y189-F204 VanDerWaalsContact CD1-C 3.4Å; I190-F204 HydrophobicContact CB-CE1 4.11Å; I190-F204 HydrophobicContact CB-CE2 4.31Å; I190-F204 HydrophobicContact CB-CZ 3.95Å; I190-F204 HydrophobicContact CD1-CE2 3.9Å; I190-F204 HydrophobicContact CD1-CZ 3.83Å; I190-F204 HydrophobicContact CG1-CZ 4.49Å; I190-F204 HydrophobicContact CG2-CE1 4.13Å; I190-F204 HydrophobicContact CG2-CZ 4.13Å; I190-F204 PolarHBondContact N-O 3.44Å; I190-F204 PolarHBondContact O-N 3.26Å; I190-F204 VanDerWaalsContact O-N 3.16Å; F202-F204 HydrophobicContact CB-CD1 3.96Å; F202-F204 HydrophobicContact CB-CE1 4.14Å; F204-A206 HydrophobicContact CD2-CB 4.42Å; F204-A206 HydrophobicContact CE2-CB 4.12Å; F204-A206 PolarHBondContact O-N 2.81Å; F204-W235 HydrophobicContact CD2-CE3 4.27Å; F204-W235 HydrophobicContact CD2-CH2 4.34Å; F204-W235 HydrophobicContact CD2-CZ3 4.05Å; F204-W235 AromaticContact CE2-CD2 3.71Å; F204-W235 HydrophobicContact CE2-CD2 3.71Å; F204-W235 AromaticContact CE2-CE3 3.55Å; F204-W235 HydrophobicContact CE2-CE3 3.55Å; F204-W235 HydrophobicContact CE2-CG 4.36Å; F204-W235 HydrophobicContact CE2-CH2 4.08Å; F204-W235 HydrophobicContact CE2-CZ2 4.21Å; F204-W235 AromaticContact CE2-CZ3 3.74Å; F204-W235 HydrophobicContact CE2-CZ3 3.74Å; F204-W235 HydrophobicContact CZ-CD2 4.25Å; F204-W235 HydrophobicContact CZ-CE3 4.26Å; F204-W235 HydrophobicContact CZ-CG 4.46Å; F204-N238 HydrophobicContact CD1-CB 3.81Å; F204-N238 HydrophobicContact CE1-CB 4.02Å; F204-N238 HydrophobicContact CG-CB 4.24Å |
| 205 | K | 97.5 | Very high | 97 | Very high | 88 Ų | 88 | 53.4 Ų | 53.4 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 112 | 178.2 | -164 | 179.5 | -175.3 | -162.6 | 0 | 109 | Y189 H207 E208 | Y189-K205 HydrophobicContact CD1-CB 4.24Å; Y189-K205 HydrophobicContact CD2-CB 4.41Å; Y189-K205 HydrophobicContact CD2-CG 4.24Å; Y189-K205 HydrophobicContact CE1-CB 3.82Å; Y189-K205 HydrophobicContact CE2-CB 4Å; Y189-K205 HydrophobicContact CE2-CD 4.16Å; Y189-K205 HydrophobicContact CE2-CG 3.82Å; K205-H207 WeakPolarHBondContact CE-O 3.35Å; K205-E208 WeakPolarHBondContact CE-OE1 3.49Å; K205-E208 IonicContact NZ-OE1 3.78Å; K205-E208 PolarHBondContact NZ-OE1 3.29Å; K205-E208 IonicContact NZ-OE2 2.78Å; K205-E208 PolarHBondContact NZ-OE2 3.25Å |
| 206 | A | 97.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 53 Ų | 53 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | trans | -97.3 | -27.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G188 I190 F204 I211 N233 W235 | G188-A206 PolarHBondContact O-N 2.78Å; I190-A206 HydrophobicContact CB-CB 4.44Å; I190-A206 HydrophobicContact CD1-CB 3.25Å; I190-A206 HydrophobicContact CG1-CB 3.53Å; F204-A206 HydrophobicContact CD2-CB 4.42Å; F204-A206 HydrophobicContact CE2-CB 4.12Å; F204-A206 PolarHBondContact O-N 2.81Å; A206-I211 HydrophobicContact CB-CD1 4.47Å; A206-N233 PolarHBondContact O-ND2 3.2Å; A206-W235 HydrophobicContact CB-CH2 4.36Å; A206-W235 HydrophobicContact CB-CZ2 3.66Å | ||
| 207 | H | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | trans | -140.1 | 151.2 | -176.9 | -69.8 | -81 | 0 | 0 | 0 | 111.1 | G188 K205 K209 I211 T225 G227 D229 V231 | G188-H207 PolarHBondContact O-N 2.83Å; G188-H207 VanDerWaalsContact O-N 3.1Å; K205-H207 WeakPolarHBondContact CE-O 3.35Å; H207-K209 VanDerWaalsContact CB-O 3.25Å; H207-K209 WeakPolarHBondContact CB-O 3.42Å; H207-K209 PolarHBondContact O-N 2.97Å; H207-I211 HydrophobicContact CB-CG1 4.47Å; H207-T225 WeakPolarHBondContact NE2-CB 2.78Å; H207-T225 PolarHBondContact NE2-OG1 3.48Å; H207-G227 PolarHBondContact CE1-N 3.22Å; H207-D229 VanDerWaalsContact CA-OD2 3.23Å; H207-D229 WeakPolarHBondContact CA-OD2 3.1Å; H207-D229 VanDerWaalsContact CB-OD2 3.29Å; H207-D229 WeakPolarHBondContact CB-OD2 3.2Å; H207-D229 IonicContact CE1-OD1 3.85Å; H207-D229 IonicContact CG-OD1 3.84Å; H207-D229 IonicContact CG-OD2 3.58Å; H207-D229 IonicContact ND1-OD1 2.93Å; H207-D229 PolarHBondContact ND1-OD1 2.86Å; H207-D229 IonicContact ND1-OD2 3.12Å; H207-D229 PolarHBondContact ND1-OD2 3.48Å; H207-D229 VanDerWaalsContact ND1-OD2 3.12Å; H207-V231 PolarHBondContact CE1-O 2.87Å | ||
| 208 | E | 97.2 | Very high | 96.2 | Very high | 138 Ų | 138 | 48.9 Ų | 48.9 | 65% | 0.645 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -78 | -10.2 | 174.8 | -72.7 | -59.1 | 133.5 | 0 | 0 | 112.8 | K205 D229 | K205-E208 WeakPolarHBondContact CE-OE1 3.49Å; K205-E208 IonicContact NZ-OE1 3.78Å; K205-E208 PolarHBondContact NZ-OE1 3.29Å; K205-E208 IonicContact NZ-OE2 2.78Å; K205-E208 PolarHBondContact NZ-OE2 3.25Å; E208-D229 HydrophobicContact CB-CB 4.24Å; E208-D229 PolarHBondContact N-OD2 2.92Å |
| 209 | K | 96.5 | Very high | 95.6 | Very high | 107 Ų | 107 | 51.3 Ų | 51.3 | 47% | 0.465 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -137.6 | -178.8 | 177.9 | -64 | -173.3 | 178.5 | -179.8 | 0 | 109.7 | G188 H207 I211 R228 D229 | G188-K209 VanDerWaalsContact CA-O 3.3Å; G188-K209 WeakPolarHBondContact CA-O 3.36Å; H207-K209 VanDerWaalsContact CB-O 3.25Å; H207-K209 WeakPolarHBondContact CB-O 3.42Å; H207-K209 PolarHBondContact O-N 2.97Å; K209-I211 PolarHBondContact O-N 3.27Å; K209-R228 HydrophobicContact CB-CB 3.86Å; K209-R228 HydrophobicContact CD-CB 4.17Å; K209-R228 WeakPolarHBondContact CD-O 3.3Å; K209-D229 HydrophobicContact CB-CB 4.28Å; K209-D229 HydrophobicContact CG-CB 4.29Å |
| 210 | E | 96.8 | Very high | 94.7 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | trans | -47.5 | 137.9 | 177 | -46 | 170.9 | -143.8 | 0 | 0 | 112.8 | K170 T186 G227 R228 | K170-E210 HydrophobicContact CD-CB 4.33Å; K170-E210 IonicContact NZ-OE2 3.43Å; K170-E210 PolarHBondContact NZ-OE2 3.27Å; T186-E210 HydrophobicContact CG2-CG 4.18Å; E210-G227 VanDerWaalsContact O-CA 3.32Å; E210-G227 WeakPolarHBondContact O-CA 3.38Å; E210-R228 HydrophobicContact CB-CG 4.29Å; E210-R228 PolarHBondContact O-N 3.04Å; E210-R228 IonicContact OE1-CZ 3.34Å; E210-R228 IonicContact OE1-NE 2.76Å; E210-R228 IonicContact OE1-NH1 3.21Å; E210-R228 PolarHBondContact OE1-NH1 2.66Å; E210-R228 IonicContact OE2-CZ 3.38Å; E210-R228 IonicContact OE2-NE 2.88Å; E210-R228 PolarHBondContact OE2-NE 3.13Å; E210-R228 IonicContact OE2-NH1 3.08Å; E210-R228 PolarHBondContact OE2-NH1 2.63Å; E210-R228 IonicContact OE2-NH2 3.33Å | ||
| 211 | I | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 130.7 | 167.6 | -56 | -176.8 | 0 | 0 | 0 | 107.5 | K170 V171 G185 Y189 I190 A206 H207 K209 | K170-I211 VanDerWaalsContact CD-O 3.31Å; K170-I211 WeakPolarHBondContact CD-O 3.35Å; K170-I211 VanDerWaalsContact CE-O 3.3Å; K170-I211 WeakPolarHBondContact CE-O 3.41Å; K170-I211 PolarHBondContact NZ-O 3.32Å; K170-I211 VanDerWaalsContact NZ-O 3.12Å; V171-I211 HydrophobicContact CG1-CG2 4.07Å; G185-I211 PolarHBondContact O-N 2.97Å; Y189-I211 WeakPolarHBondContact O-CD1 3.34Å; I190-I211 HydrophobicContact CG1-CD1 3.61Å; A206-I211 HydrophobicContact CB-CD1 4.47Å; H207-I211 HydrophobicContact CB-CG1 4.47Å; K209-I211 PolarHBondContact O-N 3.27Å |
| 212 | D | 97.1 | Very high | 93.9 | Very high | 27 Ų | 27 | 46.6 Ų | 46.6 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -37.9 | 174.9 | -78.7 | -50.6 | 0 | 0 | 0 | 111.5 | K170 V226 R228 R259 | K170-D212 IonicContact NZ-OD1 3.9Å; K170-D212 PolarHBondContact NZ-OD1 3.17Å; D212-V226 HydrophobicContact CB-CG2 4.43Å; D212-V226 PolarHBondContact N-O 2.63Å; D212-R228 IonicContact OD1-NE 3.01Å; D212-R228 WeakPolarHBondContact OD2-CG 3.43Å; D212-R259 IonicContact OD2-CZ 3.24Å; D212-R259 IonicContact OD2-NH1 3.52Å; D212-R259 PolarHBondContact OD2-NH1 3.36Å; D212-R259 IonicContact OD2-NH2 3.83Å |
| 213 | D | 98.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.059 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 157.9 | -178.5 | -158.6 | 10.3 | 0 | 0 | 0 | 111.6 | V226 A262 C263 R264 | D213-V226 HydrophobicContact CB-CG2 3.5Å; D213-V226 PolarHBondContact N-O 3.44Å; D213-V226 WeakPolarHBondContact O-CG2 3.33Å; D213-V226 PolarHBondContact O-N 3.45Å; D213-A262 VanDerWaalsContact OD2-CA 3.31Å; D213-A262 WeakPolarHBondContact OD2-CA 3.48Å; D213-A262 WeakPolarHBondContact OD2-CB 3.48Å; D213-C263 PolarHBondContact OD2-N 2.99Å; D213-C263 VanDerWaalsContact OD2-N 3.13Å; D213-R264 IonicContact OD1-CZ 3.62Å; D213-R264 IonicContact OD1-NH1 2.69Å; D213-R264 PolarHBondContact OD1-NH1 3.43Å; D213-R264 IonicContact OD1-NH2 3.82Å; D213-R264 PolarHBondContact OD1-NH2 3.41Å; D213-R264 IonicContact OD2-CZ 3.83Å; D213-R264 IonicContact OD2-NH1 2.76Å; D213-R264 PolarHBondContact OD2-NH1 3.07Å; D213-R264 IonicContact OD2-NH2 3.09Å; D213-R264 PolarHBondContact OD2-NH2 2.96Å |
| 214 | L | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 155.1 | 172 | 65.6 | 82.9 | 0 | 0 | 0 | 110.8 | V171 R173 L182 L223 V224 T225 R264 | V171-L214 HydrophobicContact CB-CG 4.31Å; V171-L214 HydrophobicContact CG1-CB 4.35Å; V171-L214 HydrophobicContact CG1-CD2 3.5Å; V171-L214 VanDerWaalsContact CG1-CD2 3.5Å; V171-L214 HydrophobicContact CG1-CG 3.59Å; V171-L214 HydrophobicContact CG2-CD1 4.35Å; V171-L214 HydrophobicContact CG2-CD2 4.49Å; V171-L214 HydrophobicContact CG2-CG 3.77Å; R173-L214 HydrophobicContact CB-CD1 3.82Å; R173-L214 HydrophobicContact CG-CD1 3.67Å; L182-L214 HydrophobicContact CB-CD1 3.82Å; L182-L214 HydrophobicContact CB-CD2 4.44Å; L182-L214 HydrophobicContact CD1-CD1 4.08Å; L214-L223 HydrophobicContact CB-CD1 4.14Å; L214-L223 HydrophobicContact CD1-CD1 4.2Å; L214-V224 CarbonylContact C-O 3.54Å; L214-V224 WeakPolarHBondContact CA-O 3.31Å; L214-T225 HydrophobicContact CB-CG2 3.72Å; L214-R264 PolarHBondContact O-NH1 3.21Å |
| 215 | D | 97.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 40.8 Ų | 40.8 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 153.3 | 171.3 | -159.6 | 17.7 | 0 | 0 | 0 | 112 | L223 V224 R264 F265 | D215-L223 WeakPolarHBondContact O-CD1 3.41Å; D215-V224 PolarHBondContact N-O 3.33Å; D215-V224 PolarHBondContact O-N 2.86Å; D215-R264 VanDerWaalsContact OD2-CA 3.26Å; D215-R264 WeakPolarHBondContact OD2-CA 3.37Å; D215-F265 HydrophobicContact CB-CD2 4.32Å; D215-F265 PolarHBondContact OD2-N 2.79Å |
| 216 | M | 95.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.1 | -178.6 | -158.5 | 172.1 | 82.6 | 0 | 0 | 111.9 | P176 L182 Q222 | P176-M216 VanDerWaalsContact CD-CE 3.4Å; L182-M216 HydrophobicContact CD1-CB 3.93Å; L182-M216 HydrophobicContact CD1-CG 4.45Å; L182-M216 HydrophobicContact CD1-SD 4.03Å; M216-Q222 WeakPolarHBondContact CA-O 3.08Å; M216-Q222 WeakPolarHBondContact CG-O 3.26Å |
| 217 | S | 92.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | trans | -70.2 | 136.8 | 179 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | I219 S220 Q222 I275 | S217-I219 VanDerWaalsContact C-N 3.35Å; S217-S220 WeakPolarHBondContact CB-OG 3.14Å; S217-S220 PolarHBondContact OG-N 3.48Å; S217-S220 VanDerWaalsContact OG-N 3.13Å; S217-S220 PolarHBondContact OG-OG 2.59Å; S217-Q222 PolarHBondContact N-O 3.4Å; S217-I275 WeakPolarHBondContact OG-CD1 3.37Å | ||
| 218 | T | 84 | Confident | 93.7 | Very high | 77 Ų | 77 | 40.8 Ų | 40.8 | 47% | 0.472 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -28 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | P176 | P176-T218 HydrophobicContact CB-CG2 3.64Å; P176-T218 HydrophobicContact CG-CG2 3.6Å |
| 219 | I | 81.5 | Confident | 93.6 | Very high | 78 Ų | 78 | 35.4 Ų | 35.4 | 40% | 0.4 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -47.5 | -175 | -42.8 | 179.1 | 0 | 0 | 0 | 111.4 | S217 K221 D273 I275 | S217-I219 VanDerWaalsContact C-N 3.35Å; I219-K221 VanDerWaalsContact C-N 3.26Å; I219-K221 PolarHBondContact O-N 3.46Å; I219-D273 HydrophobicContact CD1-CB 4.14Å; I219-I275 HydrophobicContact CB-CD1 3.39Å; I219-I275 HydrophobicContact CB-CG1 4.36Å; I219-I275 HydrophobicContact CD1-CD1 3.69Å; I219-I275 HydrophobicContact CD1-CG1 3.68Å; I219-I275 HydrophobicContact CG1-CD1 3.56Å; I219-I275 HydrophobicContact CG1-CG1 4.01Å; I219-I275 HydrophobicContact CG2-CD1 4.47Å |
| 220 | S | 78.1 | Confident | 93.6 | Very high | 40 Ų | 40 | 32.4 Ų | 32.4 | 28% | 0.28 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.7 | -176.1 | 62.5 | 0 | 0 | 0 | 0 | 113.5 | S217 Q222 | S217-S220 WeakPolarHBondContact CB-OG 3.14Å; S217-S220 PolarHBondContact OG-N 3.48Å; S217-S220 VanDerWaalsContact OG-N 3.13Å; S217-S220 PolarHBondContact OG-OG 2.59Å; S220-Q222 PolarHBondContact O-N 3.24Å; S220-Q222 PolarHBondContact OG-OE1 2.86Å |
| 221 | K | 83.8 | Confident | 93.5 | Very high | 146 Ų | 146 | 32.3 Ų | 32.3 | 64% | 0.635 | 16% | 0.162 | S | C | * | . | trans | 52.9 | 19.7 | -172.3 | -61.5 | -171.7 | 174.4 | -169.7 | 0 | 114 | I219 | I219-K221 VanDerWaalsContact C-N 3.26Å; I219-K221 PolarHBondContact O-N 3.46Å | ||
| 222 | Q | 92.2 | Very high | 93.5 | Very high | 29 Ų | 29 | 32.3 Ų | 32.3 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | trans | -82.1 | 142.6 | 174.7 | -70.4 | 173.2 | -16.5 | 0 | 0 | 110.3 | M216 S217 S220 V234 W235 | M216-Q222 WeakPolarHBondContact CA-O 3.08Å; M216-Q222 WeakPolarHBondContact CG-O 3.26Å; S217-Q222 PolarHBondContact N-O 3.4Å; S220-Q222 PolarHBondContact O-N 3.24Å; S220-Q222 PolarHBondContact OG-OE1 2.86Å; Q222-V234 HydrophobicContact CB-CG1 4.04Å; Q222-V234 HydrophobicContact CG-CG1 4.41Å; Q222-W235 VanDerWaalsContact CA-O 3.31Å; Q222-W235 WeakPolarHBondContact CA-O 3.47Å | ||
| 223 | L | 96.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.1 | 173.7 | 170.4 | 59.8 | 0 | 0 | 0 | 108.9 | L182 I190 L214 D215 T225 V234 W235 | L182-L223 HydrophobicContact CD1-CD1 3.82Å; I190-L223 HydrophobicContact CD1-CD2 3.96Å; I190-L223 HydrophobicContact CG2-CD2 4.01Å; L214-L223 HydrophobicContact CB-CD1 4.14Å; L214-L223 HydrophobicContact CD1-CD1 4.2Å; D215-L223 WeakPolarHBondContact O-CD1 3.41Å; L223-T225 HydrophobicContact CD1-CG2 4.13Å; L223-T225 HydrophobicContact CD2-CG2 4.31Å; L223-T225 HydrophobicContact CG-CG2 3.96Å; L223-V234 CarbonylContact O-C 3.59Å; L223-V234 WeakPolarHBondContact O-CA 3.16Å; L223-W235 HydrophobicContact CB-CB 4.26Å; L223-W235 PolarHBondContact N-O 2.97Å; L223-W235 PolarHBondContact O-N 3.13Å |
| 224 | V | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.7 | 172.6 | 176 | 0 | 0 | 0 | 0 | 108.8 | L214 D215 N233 V234 C263 F265 L277 | L214-V224 CarbonylContact C-O 3.54Å; L214-V224 WeakPolarHBondContact CA-O 3.31Å; D215-V224 PolarHBondContact N-O 3.33Å; D215-V224 PolarHBondContact O-N 2.86Å; V224-N233 CarbonylContact C-O 3.55Å; V224-N233 WeakPolarHBondContact CA-O 3.38Å; V224-V234 HydrophobicContact CG2-CG1 4.12Å; V224-V234 HydrophobicContact CG2-CG2 4.01Å; V224-C263 HydrophobicContact CG1-CB 3.78Å; V224-F265 HydrophobicContact CB-CE2 4.05Å; V224-F265 HydrophobicContact CB-CZ 4.42Å; V224-F265 HydrophobicContact CG2-CE1 4.44Å; V224-F265 HydrophobicContact CG2-CE2 3.43Å; V224-F265 VanDerWaalsContact CG2-CE2 3.43Å; V224-F265 HydrophobicContact CG2-CZ 3.34Å; V224-L277 HydrophobicContact CB-CD1 4.38Å; V224-L277 HydrophobicContact CG1-CD1 4.23Å; V224-L277 HydrophobicContact CG1-CD2 4.19Å; V224-L277 HydrophobicContact CG2-CD1 4.14Å; V224-L277 HydrophobicContact CG2-CD2 3.9Å |
| 225 | T | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 145.6 | 177.5 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | I190 H207 L214 L223 C232 N233 W235 | I190-T225 HydrophobicContact CD1-CG2 3.19Å; I190-T225 HydrophobicContact CG1-CG2 4.1Å; H207-T225 WeakPolarHBondContact NE2-CB 2.78Å; H207-T225 PolarHBondContact NE2-OG1 3.48Å; L214-T225 HydrophobicContact CB-CG2 3.72Å; L223-T225 HydrophobicContact CD1-CG2 4.13Å; L223-T225 HydrophobicContact CD2-CG2 4.31Å; L223-T225 HydrophobicContact CG-CG2 3.96Å; T225-C232 CarbonylContact O-C 3.53Å; T225-C232 VanDerWaalsContact O-CA 3.29Å; T225-C232 WeakPolarHBondContact O-CA 3.26Å; T225-N233 PolarHBondContact N-O 2.88Å; T225-N233 PolarHBondContact O-N 3.38Å; T225-W235 PolarHBondContact OG1-NE1 2.88Å |
| 226 | V | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.4 | 177 | -62.8 | 0 | 0 | 0 | 0 | 110 | D212 D213 C232 Y260 C263 | D212-V226 HydrophobicContact CB-CG2 4.43Å; D212-V226 PolarHBondContact N-O 2.63Å; D213-V226 HydrophobicContact CB-CG2 3.5Å; D213-V226 PolarHBondContact N-O 3.44Å; D213-V226 WeakPolarHBondContact O-CG2 3.33Å; D213-V226 PolarHBondContact O-N 3.45Å; V226-C232 HydrophobicContact CG1-CB 3.93Å; V226-C232 VanDerWaalsContact CG1-SG 3.53Å; V226-Y260 HydrophobicContact CG1-CG 4.23Å; V226-C263 HydrophobicContact CG1-CB 3.97Å |
| 227 | G | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 169.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | H207 E210 D229 F230 V231 | H207-G227 PolarHBondContact CE1-N 3.22Å; E210-G227 VanDerWaalsContact O-CA 3.32Å; E210-G227 WeakPolarHBondContact O-CA 3.38Å; G227-D229 PolarHBondContact O-N 2.86Å; G227-F230 PolarHBondContact O-N 3.34Å; G227-V231 PolarHBondContact N-O 3.05Å |
| 228 | R | 95.9 | Very high | 93.1 | Very high | 97 Ų | 97 | 39.8 Ų | 39.8 | 37% | 0.366 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -3 | 174.3 | -70.6 | -165.4 | 175.8 | 179.8 | -0.2 | 114 | K209 E210 D212 | K209-R228 HydrophobicContact CB-CB 3.86Å; K209-R228 HydrophobicContact CD-CB 4.17Å; K209-R228 WeakPolarHBondContact CD-O 3.3Å; E210-R228 HydrophobicContact CB-CG 4.29Å; E210-R228 PolarHBondContact O-N 3.04Å; E210-R228 IonicContact OE1-CZ 3.34Å; E210-R228 IonicContact OE1-NE 2.76Å; E210-R228 IonicContact OE1-NH1 3.21Å; E210-R228 PolarHBondContact OE1-NH1 2.66Å; E210-R228 IonicContact OE2-CZ 3.38Å; E210-R228 IonicContact OE2-NE 2.88Å; E210-R228 PolarHBondContact OE2-NE 3.13Å; E210-R228 IonicContact OE2-NH1 3.08Å; E210-R228 PolarHBondContact OE2-NH1 2.63Å; E210-R228 IonicContact OE2-NH2 3.33Å; D212-R228 IonicContact OD1-NE 3.01Å; D212-R228 WeakPolarHBondContact OD2-CG 3.43Å |
| 229 | D | 95.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 14% | 0.139 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 9.9 | 174.1 | 63.6 | -4.9 | 0 | 0 | 0 | 113.4 | H207 E208 K209 G227 V231 | H207-D229 VanDerWaalsContact CA-OD2 3.23Å; H207-D229 WeakPolarHBondContact CA-OD2 3.1Å; H207-D229 VanDerWaalsContact CB-OD2 3.29Å; H207-D229 WeakPolarHBondContact CB-OD2 3.2Å; H207-D229 IonicContact CE1-OD1 3.85Å; H207-D229 IonicContact CG-OD1 3.84Å; H207-D229 IonicContact CG-OD2 3.58Å; H207-D229 IonicContact ND1-OD1 2.93Å; H207-D229 PolarHBondContact ND1-OD1 2.86Å; H207-D229 IonicContact ND1-OD2 3.12Å; H207-D229 PolarHBondContact ND1-OD2 3.48Å; H207-D229 VanDerWaalsContact ND1-OD2 3.12Å; E208-D229 HydrophobicContact CB-CB 4.24Å; E208-D229 PolarHBondContact N-OD2 2.92Å; K209-D229 HydrophobicContact CB-CB 4.28Å; K209-D229 HydrophobicContact CG-CB 4.29Å; G227-D229 PolarHBondContact O-N 2.86Å; D229-V231 PolarHBondContact O-N 2.97Å; D229-V231 PolarHBondContact OD1-N 2.84Å |
| 230 | F | 95.3 | Very high | 94.4 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 19% | 0.193 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 73.8 | 3.9 | 177.9 | -49.7 | -88.7 | 0 | 0 | 0 | 115 | G227 K256 Y258 R259 H284 | G227-F230 PolarHBondContact O-N 3.34Å; F230-K256 HydrophobicContact CD1-CB 4.25Å; F230-K256 HydrophobicContact CD2-CB 4.44Å; F230-K256 HydrophobicContact CD2-CG 4.13Å; F230-K256 HydrophobicContact CE1-CB 4.07Å; F230-K256 VanDerWaalsContact CE1-O 3.32Å; F230-K256 WeakPolarHBondContact CE1-O 3.41Å; F230-K256 HydrophobicContact CE2-CB 4.31Å; F230-K256 HydrophobicContact CE2-CG 4.34Å; F230-K256 HydrophobicContact CG-CB 4.43Å; F230-K256 HydrophobicContact CG-CG 4.28Å; F230-K256 HydrophobicContact CZ-CB 4.12Å; F230-Y258 WeakPolarHBondContact CD1-O 3.27Å; F230-R259 HydrophobicContact CD1-CB 3.82Å; F230-R259 HydrophobicContact CE1-CB 4.34Å; F230-H284 HydrophobicContact CE1-CB 3.64Å; F230-H284 AromaticContact CE1-CD2 3.76Å; F230-H284 AromaticContact CE1-CG 3.37Å; F230-H284 AromaticContact CE1-ND1 3.6Å; F230-H284 HydrophobicContact CZ-CB 4.35Å; F230-H284 AromaticContact CZ-CD2 3.55Å; F230-H284 AromaticContact CZ-CE1 3.66Å; F230-H284 AromaticContact CZ-CG 3.62Å; F230-H284 AromaticContact CZ-ND1 3.68Å; F230-H284 AromaticContact CZ-NE2 3.6Å |
| 231 | V | 95.7 | Very high | 95.2 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 30% | 0.297 | 22% | 0.222 | S | C | . | . | trans | -102.8 | 145.4 | -175.9 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | H207 G227 D229 N233 | H207-V231 PolarHBondContact CE1-O 2.87Å; G227-V231 PolarHBondContact N-O 3.05Å; D229-V231 PolarHBondContact O-N 2.97Å; D229-V231 PolarHBondContact OD1-N 2.84Å; V231-N233 WeakPolarHBondContact CG1-OD1 3.43Å | ||
| 232 | C | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 110.4 | 165.5 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | T225 V226 S243 L244 Y260 | T225-C232 CarbonylContact O-C 3.53Å; T225-C232 VanDerWaalsContact O-CA 3.29Å; T225-C232 WeakPolarHBondContact O-CA 3.26Å; V226-C232 HydrophobicContact CG1-CB 3.93Å; V226-C232 VanDerWaalsContact CG1-SG 3.53Å; C232-S243 CarbonylContact O-C 3.49Å; C232-S243 WeakPolarHBondContact O-CA 3.34Å; C232-L244 HydrophobicContact CB-CB 4.13Å; C232-L244 HydrophobicContact CB-CD1 4.38Å; C232-L244 HydrophobicContact CB-CG 4.33Å; C232-L244 PolarHBondContact O-N 2.96Å; C232-L244 VanDerWaalsContact SG-CD1 3.53Å; C232-Y260 HydrophobicContact CB-CD1 3.81Å; C232-Y260 HydrophobicContact CB-CD2 3.67Å; C232-Y260 HydrophobicContact CB-CE1 3.83Å; C232-Y260 HydrophobicContact CB-CE2 3.72Å; C232-Y260 HydrophobicContact CB-CG 3.72Å |
| 233 | N | 97.7 | Very high | 95.9 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.064 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 144.6 | -174.9 | -74.4 | -32.2 | 0 | 0 | 0 | 111.1 | A206 V224 T225 V231 W235 L240 S243 | A206-N233 PolarHBondContact O-ND2 3.2Å; V224-N233 CarbonylContact C-O 3.55Å; V224-N233 WeakPolarHBondContact CA-O 3.38Å; T225-N233 PolarHBondContact N-O 2.88Å; T225-N233 PolarHBondContact O-N 3.38Å; V231-N233 WeakPolarHBondContact CG1-OD1 3.43Å; N233-W235 HydrophobicContact CB-CZ2 3.59Å; N233-W235 VanDerWaalsContact CB-NE1 3.3Å; N233-L240 HydrophobicContact CB-CD1 3.69Å; N233-S243 WeakPolarHBondContact OD1-CB 3.33Å; N233-S243 PolarHBondContact OD1-OG 2.9Å |
| 234 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.4 | 174.1 | -168.7 | 0 | 0 | 0 | 0 | 109 | Q222 L223 V224 V241 T242 L244 L303 | Q222-V234 HydrophobicContact CB-CG1 4.04Å; Q222-V234 HydrophobicContact CG-CG1 4.41Å; L223-V234 CarbonylContact O-C 3.59Å; L223-V234 WeakPolarHBondContact O-CA 3.16Å; V224-V234 HydrophobicContact CG2-CG1 4.12Å; V224-V234 HydrophobicContact CG2-CG2 4.01Å; V234-V241 WeakPolarHBondContact O-CB 3.1Å; V234-V241 PolarHBondContact O-N 3.33Å; V234-T242 HydrophobicContact CB-CG2 4.13Å; V234-T242 HydrophobicContact CG2-CG2 4.16Å; V234-T242 PolarHBondContact N-O 2.83Å; V234-T242 PolarHBondContact O-N 3.33Å; V234-L244 HydrophobicContact CG2-CD2 3.79Å; V234-L244 HydrophobicContact CG2-CG 4.07Å; V234-L303 HydrophobicContact CB-CD1 4.04Å; V234-L303 HydrophobicContact CG1-CD1 3.81Å; V234-L303 HydrophobicContact CG1-CD2 4.49Å; V234-L303 HydrophobicContact CG2-CD1 3.93Å; V234-L303 HydrophobicContact CG2-CD2 4.33Å |
| 235 | W | 96.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 6% | 0.064 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.9 | -170.4 | -50.5 | 88.1 | 0 | 0 | 0 | 110.9 | F204 A206 Q222 L223 T225 N233 Q239 L240 | F204-W235 HydrophobicContact CD2-CE3 4.27Å; F204-W235 HydrophobicContact CD2-CH2 4.34Å; F204-W235 HydrophobicContact CD2-CZ3 4.05Å; F204-W235 AromaticContact CE2-CD2 3.71Å; F204-W235 HydrophobicContact CE2-CD2 3.71Å; F204-W235 AromaticContact CE2-CE3 3.55Å; F204-W235 HydrophobicContact CE2-CE3 3.55Å; F204-W235 HydrophobicContact CE2-CG 4.36Å; F204-W235 HydrophobicContact CE2-CH2 4.08Å; F204-W235 HydrophobicContact CE2-CZ2 4.21Å; F204-W235 AromaticContact CE2-CZ3 3.74Å; F204-W235 HydrophobicContact CE2-CZ3 3.74Å; F204-W235 HydrophobicContact CZ-CD2 4.25Å; F204-W235 HydrophobicContact CZ-CE3 4.26Å; F204-W235 HydrophobicContact CZ-CG 4.46Å; A206-W235 HydrophobicContact CB-CH2 4.36Å; A206-W235 HydrophobicContact CB-CZ2 3.66Å; Q222-W235 VanDerWaalsContact CA-O 3.31Å; Q222-W235 WeakPolarHBondContact CA-O 3.47Å; L223-W235 HydrophobicContact CB-CB 4.26Å; L223-W235 PolarHBondContact N-O 2.97Å; L223-W235 PolarHBondContact O-N 3.13Å; T225-W235 PolarHBondContact OG1-NE1 2.88Å; N233-W235 HydrophobicContact CB-CZ2 3.59Å; N233-W235 VanDerWaalsContact CB-NE1 3.3Å; W235-Q239 VanDerWaalsContact CA-O 3.31Å; W235-Q239 WeakPolarHBondContact CA-O 3.27Å; W235-L240 HydrophobicContact CD2-CD1 4.18Å; W235-L240 HydrophobicContact CE3-CB 3.92Å; W235-L240 HydrophobicContact CE3-CD1 4.2Å; W235-L240 HydrophobicContact CH2-CB 4.15Å; W235-L240 HydrophobicContact CH2-CD1 3.96Å; W235-L240 HydrophobicContact CZ2-CD1 3.95Å; W235-L240 HydrophobicContact CZ3-CB 3.62Å; W235-L240 HydrophobicContact CZ3-CD1 4.1Å; W235-L240 HydrophobicContact CZ3-CG 4.43Å |
| 236 | S | 94 | Very high | 95.2 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 113.5 | 161.8 | -173.7 | 0 | 0 | 0 | 0 | 106.1 | N238 Q239 | S236-N238 PolarHBondContact O-N 2.89Å; S236-N238 VanDerWaalsContact O-N 3.09Å; S236-Q239 PolarHBondContact N-O 3.34Å; S236-Q239 PolarHBondContact O-N 2.93Å |
| 237 | D | 91.1 | Very high | 94.7 | Very high | 91 Ų | 91 | 47.2 Ų | 47.2 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -109.6 | -169.1 | -62.7 | -53.4 | 0 | 0 | 0 | 111.9 | F202 | F202-D237 HydrophobicContact CE2-CB 3.69Å; F202-D237 HydrophobicContact CZ-CB 3.68Å |
| 238 | N | 93.1 | Very high | 94 | Very high | 67 Ų | 67 | 54 Ų | 54 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 6.5 | 176.6 | 70.6 | -10.2 | 0 | 0 | 0 | 113.6 | F202 F204 S236 | F202-N238 HydrophobicContact CD1-CB 3.91Å; F202-N238 HydrophobicContact CE1-CB 4.25Å; F202-N238 HydrophobicContact CG-CB 4.17Å; F204-N238 HydrophobicContact CD1-CB 3.81Å; F204-N238 HydrophobicContact CE1-CB 4.02Å; F204-N238 HydrophobicContact CG-CB 4.24Å; S236-N238 PolarHBondContact O-N 2.89Å; S236-N238 VanDerWaalsContact O-N 3.09Å |
| 239 | Q | 95.5 | Very high | 93.3 | Very high | 127 Ų | 127 | 51.6 Ų | 51.6 | 59% | 0.593 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.9 | -178.3 | -61 | -58.4 | -45.3 | 0 | 0 | 110.6 | W235 S236 V241 | W235-Q239 VanDerWaalsContact CA-O 3.31Å; W235-Q239 WeakPolarHBondContact CA-O 3.27Å; S236-Q239 PolarHBondContact N-O 3.34Å; S236-Q239 PolarHBondContact O-N 2.93Å; Q239-V241 PolarHBondContact O-N 2.83Å |
| 240 | L | 96.4 | Very high | 92.8 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 45% | 0.445 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 118.3 | 174.2 | -176.7 | 67 | 0 | 0 | 0 | 108.9 | N233 W235 | N233-L240 HydrophobicContact CB-CD1 3.69Å; W235-L240 HydrophobicContact CD2-CD1 4.18Å; W235-L240 HydrophobicContact CE3-CB 3.92Å; W235-L240 HydrophobicContact CE3-CD1 4.2Å; W235-L240 HydrophobicContact CH2-CB 4.15Å; W235-L240 HydrophobicContact CH2-CD1 3.96Å; W235-L240 HydrophobicContact CZ2-CD1 3.95Å; W235-L240 HydrophobicContact CZ3-CB 3.62Å; W235-L240 HydrophobicContact CZ3-CD1 4.1Å; W235-L240 HydrophobicContact CZ3-CG 4.43Å |
| 241 | V | 94.9 | Very high | 92.1 | Very high | 76 Ų | 76 | 55.1 Ų | 55.1 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -52 | 175 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | V234 Q239 | V234-V241 WeakPolarHBondContact O-CB 3.1Å; V234-V241 PolarHBondContact O-N 3.33Å; Q239-V241 PolarHBondContact O-N 2.83Å |
| 242 | T | 95.3 | Very high | 91.7 | Very high | 59 Ų | 59 | 59.1 Ų | 59.1 | 36% | 0.362 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 163.5 | 179.8 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | V234 L303 | V234-T242 HydrophobicContact CB-CG2 4.13Å; V234-T242 HydrophobicContact CG2-CG2 4.16Å; V234-T242 PolarHBondContact N-O 2.83Å; V234-T242 PolarHBondContact O-N 3.33Å; T242-L303 HydrophobicContact CG2-CD1 3.5Å; T242-L303 VanDerWaalsContact CG2-CD1 3.5Å |
| 243 | S | 95.5 | Very high | 91.2 | Very high | 51 Ų | 51 | 60.4 Ų | 60.4 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.1 | 167.9 | -55.2 | 0 | 0 | 0 | 0 | 108.6 | C232 N233 N245 | C232-S243 CarbonylContact O-C 3.49Å; C232-S243 WeakPolarHBondContact O-CA 3.34Å; N233-S243 WeakPolarHBondContact OD1-CB 3.33Å; N233-S243 PolarHBondContact OD1-OG 2.9Å; S243-N245 PolarHBondContact O-N 3.08Å |
| 244 | L | 95.1 | Very high | 90.6 | Very high | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | trans | -70.7 | 129.6 | 179.2 | -53.9 | -172.8 | 0 | 0 | 0 | 109.9 | C232 V234 Y260 L277 T279 W298 L303 | C232-L244 HydrophobicContact CB-CB 4.13Å; C232-L244 HydrophobicContact CB-CD1 4.38Å; C232-L244 HydrophobicContact CB-CG 4.33Å; C232-L244 PolarHBondContact O-N 2.96Å; C232-L244 VanDerWaalsContact SG-CD1 3.53Å; V234-L244 HydrophobicContact CG2-CD2 3.79Å; V234-L244 HydrophobicContact CG2-CG 4.07Å; L244-Y260 PolarHBondContact O-OH 2.85Å; L244-L277 HydrophobicContact CD1-CD2 3.58Å; L244-T279 HydrophobicContact CD1-CG2 4.34Å; L244-W298 HydrophobicContact CB-CH2 3.95Å; L244-W298 HydrophobicContact CB-CZ2 4.37Å; L244-W298 HydrophobicContact CB-CZ3 4.11Å; L244-W298 HydrophobicContact CD1-CD2 4.18Å; L244-W298 HydrophobicContact CD1-CE3 4.36Å; L244-W298 HydrophobicContact CD1-CZ2 4.35Å; L244-W298 HydrophobicContact CD2-CE3 4.47Å; L244-L303 HydrophobicContact CD2-CB 3.86Å; L244-L303 HydrophobicContact CD2-CD2 4.46Å | ||
| 245 | N | 90.4 | Very high | 90.1 | Very high | 74 Ų | 74 | 70.5 Ų | 70.5 | 40% | 0.396 | 39% | 0.386 | S | S | . | . | trans | -107.5 | 85.6 | 175.9 | -164.5 | -4 | 0 | 0 | 0 | 111.1 | S243 L247 E248 | S243-N245 PolarHBondContact O-N 3.08Å; N245-L247 VanDerWaalsContact C-N 3.28Å; N245-L247 PolarHBondContact O-N 2.73Å; N245-L247 PolarHBondContact OD1-N 3.48Å; N245-E248 HydrophobicContact CB-CG 4.14Å; N245-E248 WeakPolarHBondContact CB-OE1 3.27Å; N245-E248 WeakPolarHBondContact ND2-CG 3.44Å; N245-E248 PolarHBondContact ND2-OE1 2.82Å | ||
| 246 | W | 91.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 76.4 Ų | 76.4 | 2% | 0.019 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -67.9 | -29.7 | 178.8 | 174.9 | 72.4 | 0 | 0 | 0 | 113 | E248 T249 M250 I253 Y258 Y260 Q281 Y294 T296 W298 T308 | W246-E248 PolarHBondContact O-N 3.33Å; W246-T249 WeakPolarHBondContact O-CB 3.24Å; W246-T249 PolarHBondContact O-N 3.04Å; W246-T249 PolarHBondContact O-OG1 3.09Å; W246-M250 HydrophobicContact CH2-CB 4.43Å; W246-M250 HydrophobicContact CH2-CG 4.16Å; W246-M250 HydrophobicContact CZ2-CB 4.45Å; W246-M250 HydrophobicContact CZ2-CG 3.74Å; W246-I253 HydrophobicContact CH2-CD1 3.55Å; W246-I253 HydrophobicContact CZ2-CD1 4.46Å; W246-I253 HydrophobicContact CZ3-CD1 4.02Å; W246-Y258 HydrophobicContact CH2-CD1 4.43Å; W246-Y258 HydrophobicContact CH2-CD2 4.44Å; W246-Y258 HydrophobicContact CH2-CG 4.25Å; W246-Y258 HydrophobicContact CZ3-CD2 4.19Å; W246-Y258 AromaticContact CZ3-CG 3.95Å; W246-Y258 HydrophobicContact CZ3-CG 3.95Å; W246-Y260 HydrophobicContact CB-CE1 4.14Å; W246-Y260 WeakPolarHBondContact CB-OH 3.37Å; W246-Y260 PolarHBondContact N-OH 3.31Å; W246-Q281 HydrophobicContact CD2-CG 3.89Å; W246-Q281 HydrophobicContact CE3-CG 4.1Å; W246-Q281 HydrophobicContact CG-CG 4.21Å; W246-Q281 HydrophobicContact CH2-CB 4.49Å; W246-Q281 HydrophobicContact CZ3-CB 4.49Å; W246-Y294 AromaticContact CH2-CD2 3.66Å; W246-Y294 HydrophobicContact CH2-CD2 3.66Å; W246-Y294 HydrophobicContact CH2-CE2 4.13Å; W246-Y294 HydrophobicContact CH2-CG 4.12Å; W246-Y294 HydrophobicContact CZ2-CD1 4.28Å; W246-Y294 AromaticContact CZ2-CD2 3.71Å; W246-Y294 HydrophobicContact CZ2-CD2 3.71Å; W246-Y294 HydrophobicContact CZ2-CE2 4.37Å; W246-Y294 AromaticContact CZ2-CG 3.65Å; W246-Y294 HydrophobicContact CZ2-CG 3.65Å; W246-T296 PolarHBondContact NE1-OG1 2.73Å; W246-W298 HydrophobicContact CB-CH2 3.9Å; W246-W298 HydrophobicContact CB-CZ2 3.89Å; W246-W298 HydrophobicContact CG-CZ2 4.38Å; W246-T308 HydrophobicContact CZ2-CG2 4.09Å; W246-T308 PolarHBondContact NE1-OG1 3.41Å |
| 247 | L | 87 | Confident | 89.3 | Confident | 45 Ų | 45 | 76.4 Ų | 76.4 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -64.6 | -23.9 | -177.6 | -68.8 | 171.1 | 0 | 0 | 0 | 112.4 | N245 T249 M250 I253 E255 | N245-L247 VanDerWaalsContact C-N 3.28Å; N245-L247 PolarHBondContact O-N 2.73Å; N245-L247 PolarHBondContact OD1-N 3.48Å; L247-T249 PolarHBondContact O-N 2.96Å; L247-M250 CarbonylContact O-C 3.1Å; L247-M250 PolarHBondContact O-N 3.14Å; L247-I253 HydrophobicContact CD2-CB 4.14Å; L247-I253 HydrophobicContact CD2-CG2 3.92Å; L247-E255 HydrophobicContact CD1-CB 4.39Å; L247-E255 HydrophobicContact CD1-CG 4.04Å |
| 248 | E | 82.3 | Confident | 89.5 | Confident | 143 Ų | 143 | 73.1 Ų | 73.1 | 67% | 0.668 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -57.9 | -28.9 | 170.5 | -75.7 | 172 | -160.7 | 0 | 0 | 112.6 | N245 W246 | N245-E248 HydrophobicContact CB-CG 4.14Å; N245-E248 WeakPolarHBondContact CB-OE1 3.27Å; N245-E248 WeakPolarHBondContact ND2-CG 3.44Å; N245-E248 PolarHBondContact ND2-OE1 2.82Å; W246-E248 PolarHBondContact O-N 3.33Å |
| 249 | T | 81.6 | Confident | 89.6 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 28% | 0.276 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -82.8 | -14.1 | 175.5 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | W246 L247 P305 | W246-T249 WeakPolarHBondContact O-CB 3.24Å; W246-T249 PolarHBondContact O-N 3.04Å; W246-T249 PolarHBondContact O-OG1 3.09Å; L247-T249 PolarHBondContact O-N 2.96Å; T249-P305 HydrophobicContact CG2-CB 3.47Å; T249-P305 VanDerWaalsContact CG2-CB 3.47Å; T249-P305 HydrophobicContact CG2-CG 3.18Å |
| 250 | M | 84.4 | Confident | 89.7 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | trans | -138.8 | 63.1 | -173.3 | -65.6 | -66.6 | 164.5 | 0 | 0 | 110.6 | W246 L247 Q252 I253 T308 | W246-M250 HydrophobicContact CH2-CB 4.43Å; W246-M250 HydrophobicContact CH2-CG 4.16Å; W246-M250 HydrophobicContact CZ2-CB 4.45Å; W246-M250 HydrophobicContact CZ2-CG 3.74Å; L247-M250 CarbonylContact O-C 3.1Å; L247-M250 PolarHBondContact O-N 3.14Å; M250-Q252 PolarHBondContact O-N 3.43Å; M250-Q252 PolarHBondContact SD-NE2 3.12Å; M250-I253 HydrophobicContact CB-CB 4.43Å; M250-I253 HydrophobicContact CB-CD1 3.77Å; M250-I253 HydrophobicContact CB-CG1 4.08Å; M250-I253 HydrophobicContact CG-CD1 4.21Å; M250-I253 WeakPolarHBondContact O-CB 3.17Å; M250-I253 PolarHBondContact O-N 3.34Å; M250-T308 HydrophobicContact CE-CG2 3.58Å | ||
| 251 | P | 81.1 | Confident | 89.7 | Confident | 112 Ų | 112 | 63.1 Ų | 63.1 | 73% | 0.727 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.4 | -173.7 | 26.5 | -36.2 | 0 | 0 | 0 | 113.9 | I253 | P251-I253 PolarHBondContact O-N 3.48Š|
| 252 | Q | 86.8 | Confident | 89.8 | Confident | 134 Ų | 134 | 59.5 Ų | 59.5 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -14.9 | 175.2 | 72.6 | -76.9 | 4.5 | 0 | 0 | 113.8 | M250 | M250-Q252 PolarHBondContact O-N 3.43Å; M250-Q252 PolarHBondContact SD-NE2 3.12Å |
| 253 | I | 87 | Confident | 89.9 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -93.5 | 124.6 | -178.8 | -61.8 | -178.5 | 0 | 0 | 0 | 108.5 | W246 L247 M250 P251 Y258 Y294 | W246-I253 HydrophobicContact CH2-CD1 3.55Å; W246-I253 HydrophobicContact CZ2-CD1 4.46Å; W246-I253 HydrophobicContact CZ3-CD1 4.02Å; L247-I253 HydrophobicContact CD2-CB 4.14Å; L247-I253 HydrophobicContact CD2-CG2 3.92Å; M250-I253 HydrophobicContact CB-CB 4.43Å; M250-I253 HydrophobicContact CB-CD1 3.77Å; M250-I253 HydrophobicContact CB-CG1 4.08Å; M250-I253 HydrophobicContact CG-CD1 4.21Å; M250-I253 WeakPolarHBondContact O-CB 3.17Å; M250-I253 PolarHBondContact O-N 3.34Å; P251-I253 PolarHBondContact O-N 3.48Å; I253-Y258 HydrophobicContact CD1-CD2 4.35Å; I253-Y258 HydrophobicContact CD1-CE2 3.98Å; I253-Y258 HydrophobicContact CG2-CD2 3.52Å; I253-Y258 HydrophobicContact CG2-CE2 3.77Å; I253-Y294 HydrophobicContact CD1-CE2 4.2Å |
| 254 | A | 86.1 | Confident | 90 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 56% | 0.562 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 149.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T257 | A254-T257 VanDerWaalsContact C-OG1 3.31Å; A254-T257 WeakPolarHBondContact O-CB 3.37Å; A254-T257 PolarHBondContact O-N 3.3Å; A254-T257 PolarHBondContact O-OG1 3.44Å |
| 255 | E | 85.2 | Confident | 90.1 | Very high | 155 Ų | 155 | 55.9 Ų | 55.9 | 72% | 0.724 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 147.7 | 175.1 | -68.5 | -174.7 | -178.8 | 0 | 0 | 112.1 | L247 T257 | L247-E255 HydrophobicContact CD1-CB 4.39Å; L247-E255 HydrophobicContact CD1-CG 4.04Å; E255-T257 PolarHBondContact O-N 2.99Å |
| 256 | K | 84.4 | Confident | 90.2 | Very high | 141 Ų | 141 | 52.8 Ų | 52.8 | 61% | 0.613 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 13.1 | 178.4 | -55.6 | 175.6 | -178.4 | 173.1 | 0 | 115 | F230 | F230-K256 HydrophobicContact CD1-CB 4.25Å; F230-K256 HydrophobicContact CD2-CB 4.44Å; F230-K256 HydrophobicContact CD2-CG 4.13Å; F230-K256 HydrophobicContact CE1-CB 4.07Å; F230-K256 VanDerWaalsContact CE1-O 3.32Å; F230-K256 WeakPolarHBondContact CE1-O 3.41Å; F230-K256 HydrophobicContact CE2-CB 4.31Å; F230-K256 HydrophobicContact CE2-CG 4.34Å; F230-K256 HydrophobicContact CG-CB 4.43Å; F230-K256 HydrophobicContact CG-CG 4.28Å; F230-K256 HydrophobicContact CZ-CB 4.12Å |
| 257 | T | 90.8 | Very high | 90 | Very high | 55 Ų | 55 | 56 Ų | 56 | 34% | 0.337 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -78 | -34.1 | 172.1 | -40.3 | 0 | 0 | 0 | 0 | 111.4 | A254 E255 H284 | A254-T257 VanDerWaalsContact C-OG1 3.31Å; A254-T257 WeakPolarHBondContact O-CB 3.37Å; A254-T257 PolarHBondContact O-N 3.3Å; A254-T257 PolarHBondContact O-OG1 3.44Å; E255-T257 PolarHBondContact O-N 2.99Å; T257-H284 PolarHBondContact O-N 2.81Å |
| 258 | Y | 94.6 | Very high | 89.5 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 150.3 | 177.1 | -76.1 | -99 | 0 | 0 | 0 | 110.8 | F230 W246 I253 Q281 I282 P283 P291 P292 Y294 | F230-Y258 WeakPolarHBondContact CD1-O 3.27Å; W246-Y258 HydrophobicContact CH2-CD1 4.43Å; W246-Y258 HydrophobicContact CH2-CD2 4.44Å; W246-Y258 HydrophobicContact CH2-CG 4.25Å; W246-Y258 HydrophobicContact CZ3-CD2 4.19Å; W246-Y258 AromaticContact CZ3-CG 3.95Å; W246-Y258 HydrophobicContact CZ3-CG 3.95Å; I253-Y258 HydrophobicContact CD1-CD2 4.35Å; I253-Y258 HydrophobicContact CD1-CE2 3.98Å; I253-Y258 HydrophobicContact CG2-CD2 3.52Å; I253-Y258 HydrophobicContact CG2-CE2 3.77Å; Y258-Q281 HydrophobicContact CD1-CB 4.16Å; Y258-I282 WeakPolarHBondContact CA-O 3.43Å; Y258-I282 VanDerWaalsContact CD1-C 3.44Å; Y258-P283 HydrophobicContact CE1-CG 3.88Å; Y258-P291 WeakPolarHBondContact OH-CB 3.49Å; Y258-P292 VanDerWaalsContact CE1-O 3.26Å; Y258-P292 WeakPolarHBondContact CE1-O 3.29Å; Y258-P292 PolarHBondContact OH-O 2.96Å; Y258-Y294 HydrophobicContact CD1-CD2 4.42Å; Y258-Y294 AromaticContact CE1-CD2 3.81Å; Y258-Y294 HydrophobicContact CE1-CD2 3.81Å; Y258-Y294 HydrophobicContact CE1-CE2 4.03Å; Y258-Y294 AromaticContact CZ-CE2 3.86Å |
| 259 | R | 95.3 | Very high | 88.9 | Confident | 36 Ų | 36 | 53 Ų | 53 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 152.6 | 168.3 | 68.6 | -179.3 | -169.8 | 87.3 | -15.5 | 110.2 | D212 F230 Q281 I282 | D212-R259 IonicContact OD2-CZ 3.24Å; D212-R259 IonicContact OD2-NH1 3.52Å; D212-R259 PolarHBondContact OD2-NH1 3.36Å; D212-R259 IonicContact OD2-NH2 3.83Å; F230-R259 HydrophobicContact CD1-CB 3.82Å; F230-R259 HydrophobicContact CE1-CB 4.34Å; R259-Q281 WeakPolarHBondContact O-CA 3.31Å; R259-I282 HydrophobicContact CG-CG1 3.87Å; R259-I282 PolarHBondContact N-O 2.99Å; R259-I282 PolarHBondContact O-N 2.95Å |
| 260 | Y | 97.2 | Very high | 88.1 | Confident | 15 Ų | 15 | 55 Ų | 55 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 137.7 | 166.2 | -60.7 | -93.5 | 0 | 0 | 0 | 109.4 | V226 C232 L244 W246 T279 Q281 W298 | V226-Y260 HydrophobicContact CG1-CG 4.23Å; C232-Y260 HydrophobicContact CB-CD1 3.81Å; C232-Y260 HydrophobicContact CB-CD2 3.67Å; C232-Y260 HydrophobicContact CB-CE1 3.83Å; C232-Y260 HydrophobicContact CB-CE2 3.72Å; C232-Y260 HydrophobicContact CB-CG 3.72Å; L244-Y260 PolarHBondContact O-OH 2.85Å; W246-Y260 HydrophobicContact CB-CE1 4.14Å; W246-Y260 WeakPolarHBondContact CB-OH 3.37Å; W246-Y260 PolarHBondContact N-OH 3.31Å; Y260-T279 HydrophobicContact CD1-CG2 4.29Å; Y260-T279 HydrophobicContact CE1-CG2 4.42Å; Y260-Q281 HydrophobicContact CD1-CG 4.08Å; Y260-Q281 HydrophobicContact CE1-CG 4.19Å; Y260-W298 HydrophobicContact CE1-CZ2 4.36Å |
| 261 | M | 96.7 | Very high | 87.4 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -43.7 | -179.5 | -177.4 | -77.8 | -64.1 | 0 | 0 | 111.2 | V280 I282 I316 | M261-V280 HydrophobicContact CE-CB 4Å; M261-V280 HydrophobicContact CE-CG1 3.73Å; M261-V280 PolarHBondContact N-O 2.86Å; M261-I282 HydrophobicContact CB-CD1 4.01Å; M261-I282 HydrophobicContact CB-CG1 4.06Å; M261-I282 HydrophobicContact CB-CG2 3.9Å; M261-I282 HydrophobicContact CG-CD1 3.94Å; M261-I282 HydrophobicContact CG-CG2 4.27Å; M261-I316 HydrophobicContact CE-CB 3.79Å; M261-I316 HydrophobicContact CE-CG2 3.44Å; M261-I316 VanDerWaalsContact CE-CG2 3.44Å |
| 262 | A | 97.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 153.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D213 T279 V280 L319 | D213-A262 VanDerWaalsContact OD2-CA 3.31Å; D213-A262 WeakPolarHBondContact OD2-CA 3.48Å; D213-A262 WeakPolarHBondContact OD2-CB 3.48Å; A262-T279 WeakPolarHBondContact O-CA 3.12Å; A262-V280 HydrophobicContact CB-CB 4.48Å; A262-V280 PolarHBondContact O-N 3.49Å; A262-L319 HydrophobicContact CB-CB 3.68Å; A262-L319 HydrophobicContact CB-CD2 4.11Å |
| 263 | C | 97.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 132.8 | 174.5 | 55.9 | 0 | 0 | 0 | 0 | 110.1 | D213 V224 V226 L277 Y278 T279 | D213-C263 PolarHBondContact OD2-N 2.99Å; D213-C263 VanDerWaalsContact OD2-N 3.13Å; V224-C263 HydrophobicContact CG1-CB 3.78Å; V226-C263 HydrophobicContact CG1-CB 3.97Å; C263-L277 HydrophobicContact CB-CD1 4.32Å; C263-Y278 CarbonylContact C-O 3.55Å; C263-Y278 WeakPolarHBondContact CA-O 3.27Å; C263-T279 HydrophobicContact CB-CG2 4.4Å |
| 264 | R | 97.6 | Very high | 85.6 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 132.8 | 175.4 | -65.7 | -67.9 | 169.8 | -109.9 | -7.1 | 111.9 | D213 L214 D215 Y278 L319 V321 | D213-R264 IonicContact OD1-CZ 3.62Å; D213-R264 IonicContact OD1-NH1 2.69Å; D213-R264 PolarHBondContact OD1-NH1 3.43Å; D213-R264 IonicContact OD1-NH2 3.82Å; D213-R264 PolarHBondContact OD1-NH2 3.41Å; D213-R264 IonicContact OD2-CZ 3.83Å; D213-R264 IonicContact OD2-NH1 2.76Å; D213-R264 PolarHBondContact OD2-NH1 3.07Å; D213-R264 IonicContact OD2-NH2 3.09Å; D213-R264 PolarHBondContact OD2-NH2 2.96Å; L214-R264 PolarHBondContact O-NH1 3.21Å; D215-R264 VanDerWaalsContact OD2-CA 3.26Å; D215-R264 WeakPolarHBondContact OD2-CA 3.37Å; R264-Y278 PolarHBondContact N-O 3.28Å; R264-Y278 PolarHBondContact O-N 2.76Å; R264-L319 HydrophobicContact CB-CD2 4Å; R264-L319 HydrophobicContact CB-CG 4.44Å; R264-L319 HydrophobicContact CG-CB 4.5Å; R264-L319 HydrophobicContact CG-CD2 3.74Å; R264-L319 HydrophobicContact CG-CG 3.86Å; R264-L319 PolarHBondContact NE-O 3.34Å; R264-V321 HydrophobicContact CB-CG2 3.42Å; R264-V321 VanDerWaalsContact CB-CG2 3.42Å; R264-V321 HydrophobicContact CG-CG2 4.18Å |
| 265 | F | 96.1 | Very high | 85.8 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 151.9 | 165.6 | -76 | -73.9 | 0 | 0 | 0 | 110.9 | D215 V224 I275 R276 L277 | D215-F265 HydrophobicContact CB-CD2 4.32Å; D215-F265 PolarHBondContact OD2-N 2.79Å; V224-F265 HydrophobicContact CB-CE2 4.05Å; V224-F265 HydrophobicContact CB-CZ 4.42Å; V224-F265 HydrophobicContact CG2-CE1 4.44Å; V224-F265 HydrophobicContact CG2-CE2 3.43Å; V224-F265 VanDerWaalsContact CG2-CE2 3.43Å; V224-F265 HydrophobicContact CG2-CZ 3.34Å; F265-I275 HydrophobicContact CB-CG2 4.5Å; F265-I275 HydrophobicContact CD1-CG2 3.54Å; F265-I275 HydrophobicContact CE1-CG2 4.18Å; F265-I275 HydrophobicContact CG-CG2 4.42Å; F265-R276 CarbonylContact C-O 3.53Å; F265-R276 WeakPolarHBondContact CA-O 3.39Å; F265-L277 HydrophobicContact CD1-CB 4Å; F265-L277 HydrophobicContact CD1-CD1 4.22Å; F265-L277 HydrophobicContact CD2-CD1 4.42Å; F265-L277 HydrophobicContact CE1-CB 3.86Å; F265-L277 HydrophobicContact CE1-CD1 4.18Å; F265-L277 HydrophobicContact CE1-CG 4.46Å; F265-L277 HydrophobicContact CE2-CD1 4.37Å; F265-L277 HydrophobicContact CG-CD1 4.37Å; F265-L277 HydrophobicContact CZ-CD1 4.27Å |
| 266 | G | 92.5 | Very high | 86.3 | Confident | 8 Ų | 8 | 52 Ų | 52 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 149.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | R276 | G266-R276 PolarHBondContact N-O 3.29Å; G266-R276 PolarHBondContact O-N 3.49Å |
| 267 | N | 87.6 | Confident | 86.9 | Confident | 74 Ų | 74 | 45.3 Ų | 45.3 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 133.4 | 172.3 | -61.8 | -33 | 0 | 0 | 0 | 109.3 | G325 | N267-G325 WeakPolarHBondContact O-CA 3.05Å |
| 268 | G | 77.9 | Confident | 87.2 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | trans | -73.3 | 133.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | D270 A274 | G268-D270 VanDerWaalsContact C-N 3.32Å; G268-A274 PolarHBondContact N-O 2.96Å | ||
| 269 | E | 69.9 | Low | 87.4 | Confident | 109 Ų | 109 | 41.8 Ų | 41.8 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -70.9 | -29.8 | 176.9 | -175.1 | 169.4 | -160.1 | 0 | 0 | 112.2 | R326 | E269-R326 HydrophobicContact CB-CG 4.49Å; E269-R326 HydrophobicContact CG-CG 4.26Å; E269-R326 WeakPolarHBondContact OE1-CD 3.43Å; E269-R326 WeakPolarHBondContact OE2-CG 3.13Å |
| 270 | D | 64.5 | Low | 87.5 | Confident | 89 Ų | 89 | 40.1 Ų | 40.1 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -79.9 | -22.2 | -165 | -47.9 | -49.8 | 0 | 0 | 0 | 114.1 | G268 F343 | G268-D270 VanDerWaalsContact C-N 3.32Å; D270-F343 VanDerWaalsContact CG-CE2 3.48Å; D270-F343 VanDerWaalsContact OD1-CD2 3.28Å; D270-F343 WeakPolarHBondContact OD1-CD2 3.37Å; D270-F343 WeakPolarHBondContact OD1-CE2 3.38Å; D270-F343 WeakPolarHBondContact OD2-CD2 3.46Å; D270-F343 WeakPolarHBondContact OD2-CE2 3.31Å |
| 271 | E | 68.1 | Low | 87.5 | Confident | 133 Ų | 133 | 39.4 Ų | 39.4 | 62% | 0.621 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -150 | 139.1 | -171.9 | -161.5 | 178.3 | -170.5 | 0 | 0 | 110.9 | D273 A274 | E271-D273 PolarHBondContact O-N 3.03Å; E271-A274 HydrophobicContact CB-CB 3.91Å; E271-A274 WeakPolarHBondContact O-CB 3.36Å; E271-A274 PolarHBondContact O-N 3.28Å; E271-A274 VanDerWaalsContact O-N 3.1Å |
| 272 | K | 64.3 | Low | 87.5 | Confident | 196 Ų | 196 | 39 Ų | 39 | 85% | 0.852 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 125.8 | 170.2 | -116.5 | 179.3 | 175 | -177.7 | 0 | 107.8 | A274 | K272-A274 VanDerWaalsContact C-N 3.3Å; K272-A274 PolarHBondContact O-N 2.75Å |
| 273 | D | 69.5 | Low | 87.3 | Confident | 109 Ų | 109 | 39.6 Ų | 39.6 | 58% | 0.583 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 14.3 | -178.6 | -45.6 | -35.2 | 0 | 0 | 0 | 116.4 | I219 E271 K301 | I219-D273 HydrophobicContact CD1-CB 4.14Å; E271-D273 PolarHBondContact O-N 3.03Å; D273-K301 WeakPolarHBondContact O-CE 3.42Å; D273-K301 PolarHBondContact O-NZ 3.42Å |
| 274 | A | 84.6 | Confident | 87.1 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 5% | 0.05 | 22% | 0.215 | C | C | . | . | trans | -68.5 | 133.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | G268 E271 K272 | G268-A274 PolarHBondContact N-O 2.96Å; E271-A274 HydrophobicContact CB-CB 3.91Å; E271-A274 WeakPolarHBondContact O-CB 3.36Å; E271-A274 PolarHBondContact O-N 3.28Å; E271-A274 VanDerWaalsContact O-N 3.1Å; K272-A274 VanDerWaalsContact C-N 3.3Å; K272-A274 PolarHBondContact O-N 2.75Å | ||
| 275 | I | 90.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.3 | 168.6 | -59.7 | 163.1 | 0 | 0 | 0 | 107.4 | S217 I219 F265 G300 | S217-I275 WeakPolarHBondContact OG-CD1 3.37Å; I219-I275 HydrophobicContact CB-CD1 3.39Å; I219-I275 HydrophobicContact CB-CG1 4.36Å; I219-I275 HydrophobicContact CD1-CD1 3.69Å; I219-I275 HydrophobicContact CD1-CG1 3.68Å; I219-I275 HydrophobicContact CG1-CD1 3.56Å; I219-I275 HydrophobicContact CG1-CG1 4.01Å; I219-I275 HydrophobicContact CG2-CD1 4.47Å; F265-I275 HydrophobicContact CB-CG2 4.5Å; F265-I275 HydrophobicContact CD1-CG2 3.54Å; F265-I275 HydrophobicContact CE1-CG2 4.18Å; F265-I275 HydrophobicContact CG-CG2 4.42Å; I275-G300 WeakPolarHBondContact O-CA 3.24Å; I275-G300 PolarHBondContact O-N 2.85Å |
| 276 | R | 94.5 | Very high | 85.9 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142 | 171.7 | -56.4 | -61.3 | 171 | -127.3 | 10.2 | 108.7 | F265 G266 Y278 W298 D299 | F265-R276 CarbonylContact C-O 3.53Å; F265-R276 WeakPolarHBondContact CA-O 3.39Å; G266-R276 PolarHBondContact N-O 3.29Å; G266-R276 PolarHBondContact O-N 3.49Å; R276-Y278 HydrophobicContact CB-CD2 4.46Å; R276-Y278 HydrophobicContact CB-CE2 3.65Å; R276-W298 WeakPolarHBondContact CA-O 3.25Å; R276-D299 IonicContact CZ-OD2 2.9Å; R276-D299 IonicContact NH1-OD2 2.66Å; R276-D299 PolarHBondContact NH1-OD2 2.9Å |
| 277 | L | 96.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.7 | 167.6 | 169.9 | 68.3 | 0 | 0 | 0 | 107.6 | V224 L244 C263 F265 T279 W298 L303 | V224-L277 HydrophobicContact CB-CD1 4.38Å; V224-L277 HydrophobicContact CG1-CD1 4.23Å; V224-L277 HydrophobicContact CG1-CD2 4.19Å; V224-L277 HydrophobicContact CG2-CD1 4.14Å; V224-L277 HydrophobicContact CG2-CD2 3.9Å; L244-L277 HydrophobicContact CD1-CD2 3.58Å; C263-L277 HydrophobicContact CB-CD1 4.32Å; F265-L277 HydrophobicContact CD1-CB 4Å; F265-L277 HydrophobicContact CD1-CD1 4.22Å; F265-L277 HydrophobicContact CD2-CD1 4.42Å; F265-L277 HydrophobicContact CE1-CB 3.86Å; F265-L277 HydrophobicContact CE1-CD1 4.18Å; F265-L277 HydrophobicContact CE1-CG 4.46Å; F265-L277 HydrophobicContact CE2-CD1 4.37Å; F265-L277 HydrophobicContact CG-CD1 4.37Å; F265-L277 HydrophobicContact CZ-CD1 4.27Å; L277-T279 HydrophobicContact CD2-CG2 4.4Å; L277-T279 HydrophobicContact CG-CG2 4.24Å; L277-W298 HydrophobicContact CB-CB 4.1Å; L277-W298 PolarHBondContact N-O 2.9Å; L277-W298 VanDerWaalsContact N-O 3.11Å; L277-W298 PolarHBondContact O-N 2.86Å; L277-L303 HydrophobicContact CD2-CD2 4.41Å |
| 278 | Y | 97.8 | Very high | 85.1 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.8 | 177.1 | -63 | -78.7 | 0 | 0 | 0 | 108.8 | C263 R264 R276 T296 K297 V321 L328 A342 L345 | C263-Y278 CarbonylContact C-O 3.55Å; C263-Y278 WeakPolarHBondContact CA-O 3.27Å; R264-Y278 PolarHBondContact N-O 3.28Å; R264-Y278 PolarHBondContact O-N 2.76Å; R276-Y278 HydrophobicContact CB-CD2 4.46Å; R276-Y278 HydrophobicContact CB-CE2 3.65Å; Y278-T296 WeakPolarHBondContact CA-O 3.47Å; Y278-K297 HydrophobicContact CD1-CB 4.17Å; Y278-K297 HydrophobicContact CD1-CG 4.4Å; Y278-K297 HydrophobicContact CE1-CB 3.9Å; Y278-K297 HydrophobicContact CE1-CD 4.31Å; Y278-K297 HydrophobicContact CE1-CG 3.75Å; Y278-V321 HydrophobicContact CD2-CG2 4Å; Y278-L328 HydrophobicContact CD1-CD1 3.6Å; Y278-L328 HydrophobicContact CD1-CD2 3.94Å; Y278-L328 HydrophobicContact CD1-CG 4.38Å; Y278-L328 HydrophobicContact CD2-CD2 3.82Å; Y278-L328 HydrophobicContact CE1-CD1 3.89Å; Y278-L328 HydrophobicContact CE1-CD2 4.16Å; Y278-L328 HydrophobicContact CE1-CG 4.49Å; Y278-L328 HydrophobicContact CE2-CD2 4.05Å; Y278-L328 HydrophobicContact CG-CD1 4.17Å; Y278-L328 HydrophobicContact CG-CD2 3.75Å; Y278-A342 HydrophobicContact CE1-CB 4.23Å; Y278-A342 VanDerWaalsContact CE1-O 3.26Å; Y278-A342 WeakPolarHBondContact CE1-O 3.4Å; Y278-A342 HydrophobicContact CE2-CB 4.44Å; Y278-A342 WeakPolarHBondContact OH-CB 3.42Å; Y278-A342 PolarHBondContact OH-O 3.26Å; Y278-L345 HydrophobicContact CD1-CD2 4.26Å; Y278-L345 HydrophobicContact CE1-CD2 4.13Å |
| 279 | T | 98.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 150.9 | 174.6 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | L244 Y260 A262 C263 L277 Q281 I295 T296 W298 | L244-T279 HydrophobicContact CD1-CG2 4.34Å; Y260-T279 HydrophobicContact CD1-CG2 4.29Å; Y260-T279 HydrophobicContact CE1-CG2 4.42Å; A262-T279 WeakPolarHBondContact O-CA 3.12Å; C263-T279 HydrophobicContact CB-CG2 4.4Å; L277-T279 HydrophobicContact CD2-CG2 4.4Å; L277-T279 HydrophobicContact CG-CG2 4.24Å; T279-Q281 PolarHBondContact OG1-NE2 3.04Å; T279-I295 WeakPolarHBondContact O-CA 3.5Å; T279-T296 PolarHBondContact N-O 3.42Å; T279-T296 PolarHBondContact O-N 3.36Å; T279-W298 PolarHBondContact OG1-NE1 3.08Å |
| 280 | V | 98.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.1 | 172 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | M261 A262 I282 Y294 I295 I316 L319 L330 | M261-V280 HydrophobicContact CE-CB 4Å; M261-V280 HydrophobicContact CE-CG1 3.73Å; M261-V280 PolarHBondContact N-O 2.86Å; A262-V280 HydrophobicContact CB-CB 4.48Å; A262-V280 PolarHBondContact O-N 3.49Å; V280-I282 HydrophobicContact CG1-CG2 4.05Å; V280-Y294 WeakPolarHBondContact CA-O 3.46Å; V280-I295 HydrophobicContact CG2-CG1 4.34Å; V280-I316 HydrophobicContact CG1-CB 3.8Å; V280-I316 HydrophobicContact CG1-CG1 3.94Å; V280-I316 HydrophobicContact CG1-CG2 3.99Å; V280-L319 HydrophobicContact CG2-CB 4.38Å; V280-L319 HydrophobicContact CG2-CD1 4.28Å; V280-L319 HydrophobicContact CG2-CD2 4.08Å; V280-L319 HydrophobicContact CG2-CG 4.48Å; V280-L330 HydrophobicContact CG2-CD2 4.16Å |
| 281 | Q | 96.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.4 | 177.1 | -58.1 | 83.6 | -8.3 | 0 | 0 | 109.3 | W246 Y258 R259 Y260 T279 C293 Y294 T296 | W246-Q281 HydrophobicContact CD2-CG 3.89Å; W246-Q281 HydrophobicContact CE3-CG 4.1Å; W246-Q281 HydrophobicContact CG-CG 4.21Å; W246-Q281 HydrophobicContact CH2-CB 4.49Å; W246-Q281 HydrophobicContact CZ3-CB 4.49Å; Y258-Q281 HydrophobicContact CD1-CB 4.16Å; R259-Q281 WeakPolarHBondContact O-CA 3.31Å; Y260-Q281 HydrophobicContact CD1-CG 4.08Å; Y260-Q281 HydrophobicContact CE1-CG 4.19Å; T279-Q281 PolarHBondContact OG1-NE2 3.04Å; Q281-C293 WeakPolarHBondContact O-CA 3.47Å; Q281-Y294 PolarHBondContact N-O 3.06Å; Q281-Y294 PolarHBondContact O-N 2.77Å; Q281-Y294 PolarHBondContact OE1-O 3Å; Q281-T296 PolarHBondContact NE2-OG1 2.95Å; Q281-T296 PolarHBondContact OE1-OG1 3.32Å |
| 282 | I | 96.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.4 | 179 | 70.1 | 173.2 | 0 | 0 | 0 | 110.5 | Y258 R259 M261 V280 H284 C293 V315 I316 | Y258-I282 WeakPolarHBondContact CA-O 3.43Å; Y258-I282 VanDerWaalsContact CD1-C 3.44Å; R259-I282 HydrophobicContact CG-CG1 3.87Å; R259-I282 PolarHBondContact N-O 2.99Å; R259-I282 PolarHBondContact O-N 2.95Å; M261-I282 HydrophobicContact CB-CD1 4.01Å; M261-I282 HydrophobicContact CB-CG1 4.06Å; M261-I282 HydrophobicContact CB-CG2 3.9Å; M261-I282 HydrophobicContact CG-CD1 3.94Å; M261-I282 HydrophobicContact CG-CG2 4.27Å; V280-I282 HydrophobicContact CG1-CG2 4.05Å; I282-H284 PolarHBondContact O-N 2.86Å; I282-C293 HydrophobicContact CG2-CB 4.4Å; I282-V315 HydrophobicContact CB-CG1 4.4Å; I282-V315 HydrophobicContact CD1-CG1 3.88Å; I282-V315 HydrophobicContact CG2-CG1 4.39Å; I282-I316 HydrophobicContact CG2-CB 4.33Å |
| 283 | P | 94.7 | Very high | 90.4 | Very high | 15 Ų | 15 | 59.2 Ų | 59.2 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 131.5 | 172.8 | -20.9 | 32.9 | 0 | 0 | 0 | 110.4 | Y258 P291 | Y258-P283 HydrophobicContact CE1-CG 3.88Å; P283-P291 HydrophobicContact CB-CG 3.97Å; P283-P291 HydrophobicContact CG-CG 3.73Å; P283-P291 WeakPolarHBondContact CG-O 3.23Å |
| 284 | H | 92.4 | Very high | 91.7 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -73.2 | -40.3 | 178.9 | 176.6 | 68.7 | 0 | 0 | 0 | 111.9 | F230 T257 I282 | F230-H284 HydrophobicContact CE1-CB 3.64Å; F230-H284 AromaticContact CE1-CD2 3.76Å; F230-H284 AromaticContact CE1-CG 3.37Å; F230-H284 AromaticContact CE1-ND1 3.6Å; F230-H284 HydrophobicContact CZ-CB 4.35Å; F230-H284 AromaticContact CZ-CD2 3.55Å; F230-H284 AromaticContact CZ-CE1 3.66Å; F230-H284 AromaticContact CZ-CG 3.62Å; F230-H284 AromaticContact CZ-ND1 3.68Å; F230-H284 AromaticContact CZ-NE2 3.6Å; T257-H284 PolarHBondContact O-N 2.81Å; I282-H284 PolarHBondContact O-N 2.86Å |
| 285 | K | 88.5 | Confident | 92.3 | Very high | 152 Ų | 152 | 55.5 Ų | 55.5 | 66% | 0.661 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -96.1 | 142.3 | 176 | -64.7 | -176.5 | -178 | 177.3 | 0 | 110.1 | ||
| 286 | R | 81.1 | Confident | 92.6 | Very high | 212 Ų | 212 | 55.4 Ų | 55.4 | 80% | 0.8 | 26% | 0.255 | S | S | * | . | trans | -91.5 | 105.6 | 174.8 | -67.7 | -173.7 | -179.8 | -172 | 0.5 | 109.3 | ||||
| 287 | D | 82.3 | Confident | 92.7 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 51% | 0.508 | 25% | 0.253 | S | S | . | . | trans | -93.1 | 158.2 | 175.7 | -65.7 | -37.7 | 0 | 0 | 0 | 111.7 | K289 | D287-K289 PolarHBondContact O-N 2.88Š| ||
| 288 | K | 80.4 | Confident | 92.6 | Very high | 224 Ų | 224 | 55 Ų | 55 | 97% | 0.974 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -57.7 | -32.2 | 174.9 | -72.6 | -174.5 | 178.8 | -179.8 | 0 | 112.5 | ||
| 289 | K | 84.8 | Confident | 92.4 | Very high | 188 Ų | 188 | 56.2 Ų | 56.2 | 82% | 0.817 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -117.5 | 89.7 | 170 | -70.1 | -175.8 | -179.8 | -179.4 | 0 | 107.1 | D287 | D287-K289 PolarHBondContact O-N 2.88Š|
| 290 | P | 86.6 | Confident | 92 | Very high | 53 Ų | 53 | 56.2 Ų | 56.2 | 34% | 0.344 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 132.5 | -175.1 | 25 | -31.8 | 0 | 0 | 0 | 109.5 | T313 | P290-T313 WeakPolarHBondContact O-CG2 3.3Š|
| 291 | P | 92.9 | Very high | 91.5 | Very high | 37 Ų | 37 | 61.4 Ų | 61.4 | 24% | 0.24 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -69 | 161.2 | 172.3 | 32.5 | -33.9 | 0 | 0 | 0 | 109.7 | Y258 P283 | Y258-P291 WeakPolarHBondContact OH-CB 3.49Å; P283-P291 HydrophobicContact CB-CG 3.97Å; P283-P291 HydrophobicContact CG-CG 3.73Å; P283-P291 WeakPolarHBondContact CG-O 3.23Å |
| 292 | P | 95.1 | Very high | 91.1 | Very high | 38 Ų | 38 | 67 Ų | 67 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 146.9 | -174.4 | 29.1 | -35.4 | 0 | 0 | 0 | 111.8 | Y258 Y294 P310 G312 | Y258-P292 VanDerWaalsContact CE1-O 3.26Å; Y258-P292 WeakPolarHBondContact CE1-O 3.29Å; Y258-P292 PolarHBondContact OH-O 2.96Å; P292-Y294 HydrophobicContact CG-CE2 4.12Å; P292-Y294 WeakPolarHBondContact O-CD2 3.35Å; P292-Y294 WeakPolarHBondContact O-CE2 3.49Å; P292-P310 HydrophobicContact CB-CB 4.23Å; P292-G312 CarbonylContact C-O 3.55Å; P292-G312 VanDerWaalsContact CA-O 3.27Å; P292-G312 WeakPolarHBondContact CA-O 3.26Å |
| 293 | C | 96.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 154.9 | 161.8 | -60 | 0 | 0 | 0 | 0 | 110.1 | Q281 I282 P310 C311 G312 E314 I316 | Q281-C293 WeakPolarHBondContact O-CA 3.47Å; I282-C293 HydrophobicContact CG2-CB 4.4Å; C293-P310 WeakPolarHBondContact O-CA 3.06Å; C293-C311 VanDerWaalsContact C-SG 3.58Å; C293-C311 VanDerWaalsContact CB-SG 3.58Å; C293-C311 PolarHBondContact O-N 3.01Å; C293-C311 PolarHBondContact O-SG 3.13Å; C293-C311 VanDerWaalsContact O-SG 3.37Å; C293-G312 PolarHBondContact N-O 2.76Å; C293-E314 PolarHBondContact SG-O 3.19Å; C293-E314 VanDerWaalsContact SG-O 3.42Å; C293-I316 HydrophobicContact CB-CG1 3.89Å |
| 294 | Y | 97.1 | Very high | 90.8 | Very high | 36 Ų | 36 | 71.9 Ų | 71.9 | 14% | 0.141 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.9 | 178.9 | -69.2 | -86 | 0 | 0 | 0 | 111.4 | W246 I253 Y258 V280 Q281 P292 T308 P310 | W246-Y294 AromaticContact CH2-CD2 3.66Å; W246-Y294 HydrophobicContact CH2-CD2 3.66Å; W246-Y294 HydrophobicContact CH2-CE2 4.13Å; W246-Y294 HydrophobicContact CH2-CG 4.12Å; W246-Y294 HydrophobicContact CZ2-CD1 4.28Å; W246-Y294 AromaticContact CZ2-CD2 3.71Å; W246-Y294 HydrophobicContact CZ2-CD2 3.71Å; W246-Y294 HydrophobicContact CZ2-CE2 4.37Å; W246-Y294 AromaticContact CZ2-CG 3.65Å; W246-Y294 HydrophobicContact CZ2-CG 3.65Å; I253-Y294 HydrophobicContact CD1-CE2 4.2Å; Y258-Y294 HydrophobicContact CD1-CD2 4.42Å; Y258-Y294 AromaticContact CE1-CD2 3.81Å; Y258-Y294 HydrophobicContact CE1-CD2 3.81Å; Y258-Y294 HydrophobicContact CE1-CE2 4.03Å; Y258-Y294 AromaticContact CZ-CE2 3.86Å; V280-Y294 WeakPolarHBondContact CA-O 3.46Å; Q281-Y294 PolarHBondContact N-O 3.06Å; Q281-Y294 PolarHBondContact O-N 2.77Å; Q281-Y294 PolarHBondContact OE1-O 3Å; P292-Y294 HydrophobicContact CG-CE2 4.12Å; P292-Y294 WeakPolarHBondContact O-CD2 3.35Å; P292-Y294 WeakPolarHBondContact O-CE2 3.49Å; Y294-T308 HydrophobicContact CD1-CG2 3.68Å; Y294-T308 HydrophobicContact CG-CG2 4.18Å; Y294-P310 HydrophobicContact CD1-CB 4.18Å; Y294-P310 HydrophobicContact CE1-CB 3.93Å |
| 295 | I | 97.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.2 | 165.5 | -53.4 | 165.7 | 0 | 0 | 0 | 106.6 | T279 V280 T308 S309 C311 L328 L330 L345 | T279-I295 WeakPolarHBondContact O-CA 3.5Å; V280-I295 HydrophobicContact CG2-CG1 4.34Å; I295-T308 WeakPolarHBondContact O-CA 3.25Å; I295-S309 PolarHBondContact N-O 3.13Å; I295-S309 PolarHBondContact O-N 3.35Å; I295-C311 HydrophobicContact CD1-CB 3.52Å; I295-C311 HydrophobicContact CG1-CB 3.73Å; I295-L328 HydrophobicContact CG2-CD1 4.17Å; I295-L330 HydrophobicContact CD1-CD1 3.4Å; I295-L330 VanDerWaalsContact CD1-CD1 3.4Å; I295-L330 HydrophobicContact CD1-CD2 4.46Å; I295-L330 HydrophobicContact CD1-CG 4.44Å; I295-L330 HydrophobicContact CG1-CD1 4.25Å; I295-L345 HydrophobicContact CB-CD1 4.45Å; I295-L345 HydrophobicContact CG2-CD1 4.28Å; I295-L345 HydrophobicContact CG2-CD2 3.95Å; I295-L345 WeakPolarHBondContact O-CD1 3.47Å |
| 296 | T | 97.2 | Very high | 91 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.9 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | W246 Y278 T279 Q281 W298 P305 L307 T308 | W246-T296 PolarHBondContact NE1-OG1 2.73Å; Y278-T296 WeakPolarHBondContact CA-O 3.47Å; T279-T296 PolarHBondContact N-O 3.42Å; T279-T296 PolarHBondContact O-N 3.36Å; Q281-T296 PolarHBondContact NE2-OG1 2.95Å; Q281-T296 PolarHBondContact OE1-OG1 3.32Å; T296-W298 HydrophobicContact CG2-CD2 4.04Å; T296-W298 VanDerWaalsContact CG2-CE2 3.43Å; T296-W298 HydrophobicContact CG2-CG 4.24Å; T296-W298 HydrophobicContact CG2-CZ2 3.81Å; T296-W298 VanDerWaalsContact CG2-NE1 3.31Å; T296-P305 HydrophobicContact CG2-CB 4.2Å; T296-L307 CarbonylContact C-O 3.57Å; T296-L307 VanDerWaalsContact CA-O 3.32Å; T296-L307 WeakPolarHBondContact CA-O 3.26Å; T296-T308 VanDerWaalsContact CG2-OG1 3.29Å; T296-T308 WeakPolarHBondContact CG2-OG1 3.32Å; T296-T308 PolarHBondContact OG1-OG1 2.9Å |
| 297 | K | 96.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127.3 | 167.5 | 178.3 | -172.7 | 179.9 | -172.1 | 0 | 108.1 | Y278 M306 L307 F343 L345 | Y278-K297 HydrophobicContact CD1-CB 4.17Å; Y278-K297 HydrophobicContact CD1-CG 4.4Å; Y278-K297 HydrophobicContact CE1-CB 3.9Å; Y278-K297 HydrophobicContact CE1-CD 4.31Å; Y278-K297 HydrophobicContact CE1-CG 3.75Å; K297-M306 HydrophobicContact CD-SD 4.43Å; K297-M306 HydrophobicContact CG-CB 4.47Å; K297-M306 HydrophobicContact CG-SD 4.31Å; K297-M306 WeakPolarHBondContact O-CA 3.45Å; K297-M306 WeakPolarHBondContact O-CB 3.3Å; K297-M306 PolarHBondContact O-N 2.83Å; K297-L307 HydrophobicContact CB-CB 4.36Å; K297-L307 PolarHBondContact N-O 2.82Å; K297-L307 PolarHBondContact O-N 2.88Å; K297-L307 VanDerWaalsContact O-N 3.15Å; K297-F343 PolarHBondContact NZ-O 3.3Å; K297-L345 HydrophobicContact CB-CD1 4.16Å; K297-L345 HydrophobicContact CB-CD2 4.32Å; K297-L345 HydrophobicContact CB-CG 4.43Å |
| 298 | W | 95.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 155.1 | 177.9 | -51.2 | 76.7 | 0 | 0 | 0 | 109.8 | L244 W246 Y260 R276 L277 T279 T296 G300 L304 P305 | L244-W298 HydrophobicContact CB-CH2 3.95Å; L244-W298 HydrophobicContact CB-CZ2 4.37Å; L244-W298 HydrophobicContact CB-CZ3 4.11Å; L244-W298 HydrophobicContact CD1-CD2 4.18Å; L244-W298 HydrophobicContact CD1-CE3 4.36Å; L244-W298 HydrophobicContact CD1-CZ2 4.35Å; L244-W298 HydrophobicContact CD2-CE3 4.47Å; W246-W298 HydrophobicContact CB-CH2 3.9Å; W246-W298 HydrophobicContact CB-CZ2 3.89Å; W246-W298 HydrophobicContact CG-CZ2 4.38Å; Y260-W298 HydrophobicContact CE1-CZ2 4.36Å; R276-W298 WeakPolarHBondContact CA-O 3.25Å; L277-W298 HydrophobicContact CB-CB 4.1Å; L277-W298 PolarHBondContact N-O 2.9Å; L277-W298 VanDerWaalsContact N-O 3.11Å; L277-W298 PolarHBondContact O-N 2.86Å; T279-W298 PolarHBondContact OG1-NE1 3.08Å; T296-W298 HydrophobicContact CG2-CD2 4.04Å; T296-W298 VanDerWaalsContact CG2-CE2 3.43Å; T296-W298 HydrophobicContact CG2-CG 4.24Å; T296-W298 HydrophobicContact CG2-CZ2 3.81Å; T296-W298 VanDerWaalsContact CG2-NE1 3.31Å; W298-G300 PolarHBondContact O-N 3.41Å; W298-L304 CarbonylContact C-O 3.52Å; W298-L304 WeakPolarHBondContact CA-O 3.47Å; W298-P305 HydrophobicContact CD2-CB 4.17Å; W298-P305 HydrophobicContact CE3-CB 3.69Å; W298-P305 HydrophobicContact CE3-CG 4.23Å; W298-P305 HydrophobicContact CH2-CB 4.13Å; W298-P305 HydrophobicContact CZ3-CB 3.67Å; W298-P305 HydrophobicContact CZ3-CG 3.89Å |
| 299 | D | 92.9 | Very high | 93 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 126.6 | 163.7 | -170.4 | -81.4 | 0 | 0 | 0 | 109.1 | R276 K301 I302 L303 L304 M306 | R276-D299 IonicContact CZ-OD2 2.9Å; R276-D299 IonicContact NH1-OD2 2.66Å; R276-D299 PolarHBondContact NH1-OD2 2.9Å; D299-K301 VanDerWaalsContact C-N 3.29Å; D299-K301 PolarHBondContact O-N 3.08Å; D299-K301 PolarHBondContact OD1-N 3.5Å; D299-I302 HydrophobicContact CB-CB 4.27Å; D299-I302 PolarHBondContact OD1-N 3.44Å; D299-L303 WeakPolarHBondContact O-CA 3.4Å; D299-L303 PolarHBondContact O-N 2.77Å; D299-L304 PolarHBondContact N-O 3.43Å; D299-M306 HydrophobicContact CB-CG 4.4Å; D299-M306 HydrophobicContact CB-SD 4.29Å |
| 300 | G | 89.8 | Confident | 93.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I275 W298 | I275-G300 WeakPolarHBondContact O-CA 3.24Å; I275-G300 PolarHBondContact O-N 2.85Å; W298-G300 PolarHBondContact O-N 3.41Å |
| 301 | K | 87.6 | Confident | 93.9 | Very high | 110 Ų | 110 | 41.2 Ų | 41.2 | 48% | 0.478 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -48.1 | 176.9 | -65.7 | 178.9 | -175 | 169.2 | 0 | 111.1 | D273 D299 | D273-K301 WeakPolarHBondContact O-CE 3.42Å; D273-K301 PolarHBondContact O-NZ 3.42Å; D299-K301 VanDerWaalsContact C-N 3.29Å; D299-K301 PolarHBondContact O-N 3.08Å; D299-K301 PolarHBondContact OD1-N 3.5Å |
| 302 | I | 89.3 | Confident | 94 | Very high | 118 Ų | 118 | 40.8 Ų | 40.8 | 61% | 0.605 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -22 | -176.9 | -46.1 | 175 | 0 | 0 | 0 | 111 | D299 L304 | D299-I302 HydrophobicContact CB-CB 4.27Å; D299-I302 PolarHBondContact OD1-N 3.44Å; I302-L304 HydrophobicContact CG2-CD1 3.72Å; I302-L304 HydrophobicContact CG2-CG 3.82Å; I302-L304 PolarHBondContact O-N 3.1Å |
| 303 | L | 91.7 | Very high | 94 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | trans | 64.2 | 23.7 | 178.6 | -53 | 168.1 | 0 | 0 | 0 | 113.6 | V234 T242 L244 L277 D299 | V234-L303 HydrophobicContact CB-CD1 4.04Å; V234-L303 HydrophobicContact CG1-CD1 3.81Å; V234-L303 HydrophobicContact CG1-CD2 4.49Å; V234-L303 HydrophobicContact CG2-CD1 3.93Å; V234-L303 HydrophobicContact CG2-CD2 4.33Å; T242-L303 HydrophobicContact CG2-CD1 3.5Å; T242-L303 VanDerWaalsContact CG2-CD1 3.5Å; L244-L303 HydrophobicContact CD2-CB 3.86Å; L244-L303 HydrophobicContact CD2-CD2 4.46Å; L277-L303 HydrophobicContact CD2-CD2 4.41Å; D299-L303 WeakPolarHBondContact O-CA 3.4Å; D299-L303 PolarHBondContact O-N 2.77Å | ||
| 304 | L | 91.9 | Very high | 93.9 | Very high | 108 Ų | 108 | 44 Ų | 44 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | trans | -87.3 | 141.4 | 171.9 | -68 | 175.9 | 0 | 0 | 0 | 111 | W298 D299 I302 M306 | W298-L304 CarbonylContact C-O 3.52Å; W298-L304 WeakPolarHBondContact CA-O 3.47Å; D299-L304 PolarHBondContact N-O 3.43Å; I302-L304 HydrophobicContact CG2-CD1 3.72Å; I302-L304 HydrophobicContact CG2-CG 3.82Å; I302-L304 PolarHBondContact O-N 3.1Å; L304-M306 PolarHBondContact O-N 3.03Å | ||
| 305 | P | 93.3 | Very high | 93.9 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 129.4 | 177.4 | 27.9 | -30.5 | 0 | 0 | 0 | 110 | T249 T296 W298 | T249-P305 HydrophobicContact CG2-CB 3.47Å; T249-P305 VanDerWaalsContact CG2-CB 3.47Å; T249-P305 HydrophobicContact CG2-CG 3.18Å; T296-P305 HydrophobicContact CG2-CB 4.2Å; W298-P305 HydrophobicContact CD2-CB 4.17Å; W298-P305 HydrophobicContact CE3-CB 3.69Å; W298-P305 HydrophobicContact CE3-CG 4.23Å; W298-P305 HydrophobicContact CH2-CB 4.13Å; W298-P305 HydrophobicContact CZ3-CB 3.67Å; W298-P305 HydrophobicContact CZ3-CG 3.89Å |
| 306 | M | 93.2 | Very high | 93.9 | Very high | 94 Ų | 94 | 44.1 Ų | 44.1 | 46% | 0.463 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -45.2 | -179.6 | -56.8 | 179.4 | 78.6 | 0 | 0 | 111.8 | K297 D299 L304 | K297-M306 HydrophobicContact CD-SD 4.43Å; K297-M306 HydrophobicContact CG-CB 4.47Å; K297-M306 HydrophobicContact CG-SD 4.31Å; K297-M306 WeakPolarHBondContact O-CA 3.45Å; K297-M306 WeakPolarHBondContact O-CB 3.3Å; K297-M306 PolarHBondContact O-N 2.83Å; D299-M306 HydrophobicContact CB-CG 4.4Å; D299-M306 HydrophobicContact CB-SD 4.29Å; L304-M306 PolarHBondContact O-N 3.03Å |
| 307 | L | 94.2 | Very high | 93.9 | Very high | 70 Ų | 70 | 45.7 Ų | 45.7 | 37% | 0.366 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 130.3 | -174.8 | -177.4 | 63.5 | 0 | 0 | 0 | 110.4 | T296 K297 S344 L345 | T296-L307 CarbonylContact C-O 3.57Å; T296-L307 VanDerWaalsContact CA-O 3.32Å; T296-L307 WeakPolarHBondContact CA-O 3.26Å; K297-L307 HydrophobicContact CB-CB 4.36Å; K297-L307 PolarHBondContact N-O 2.82Å; K297-L307 PolarHBondContact O-N 2.88Å; K297-L307 VanDerWaalsContact O-N 3.15Å; L307-S344 WeakPolarHBondContact CD2-O 3.48Å; L307-L345 HydrophobicContact CB-CD1 4.3Å; L307-L345 HydrophobicContact CD2-CB 4.25Å; L307-L345 HydrophobicContact CD2-CD1 4.1Å; L307-L345 HydrophobicContact CD2-CG 3.97Å; L307-L345 HydrophobicContact CG-CD1 3.97Å; L307-L345 HydrophobicContact CG-CG 4.39Å; L307-L345 WeakPolarHBondContact O-CD1 3.38Å |
| 308 | T | 95.8 | Very high | 94 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132 | 171 | -65.5 | 0 | 0 | 0 | 0 | 109.2 | W246 M250 Y294 I295 T296 | W246-T308 HydrophobicContact CZ2-CG2 4.09Å; W246-T308 PolarHBondContact NE1-OG1 3.41Å; M250-T308 HydrophobicContact CE-CG2 3.58Å; Y294-T308 HydrophobicContact CD1-CG2 3.68Å; Y294-T308 HydrophobicContact CG-CG2 4.18Å; I295-T308 WeakPolarHBondContact O-CA 3.25Å; T296-T308 VanDerWaalsContact CG2-OG1 3.29Å; T296-T308 WeakPolarHBondContact CG2-OG1 3.32Å; T296-T308 PolarHBondContact OG1-OG1 2.9Å |
| 309 | S | 95.4 | Very high | 94.1 | Very high | 33 Ų | 33 | 45.9 Ų | 45.9 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.6 | -179.7 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | I295 | I295-S309 PolarHBondContact N-O 3.13Å; I295-S309 PolarHBondContact O-N 3.35Å |
| 310 | P | 96 | Very high | 94.3 | Very high | 79 Ų | 79 | 45.1 Ų | 45.1 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 133.3 | 174 | 29.7 | -33.4 | 0 | 0 | 0 | 110.5 | P292 C293 Y294 | P292-P310 HydrophobicContact CB-CB 4.23Å; C293-P310 WeakPolarHBondContact O-CA 3.06Å; Y294-P310 HydrophobicContact CD1-CB 4.18Å; Y294-P310 HydrophobicContact CE1-CB 3.93Å |
| 311 | C | 94.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -5.6 | -175.6 | 63.3 | 0 | 0 | 0 | 0 | 115 | C293 I295 L330 K347 | C293-C311 VanDerWaalsContact C-SG 3.58Å; C293-C311 VanDerWaalsContact CB-SG 3.58Å; C293-C311 PolarHBondContact O-N 3.01Å; C293-C311 PolarHBondContact O-SG 3.13Å; C293-C311 VanDerWaalsContact O-SG 3.37Å; I295-C311 HydrophobicContact CD1-CB 3.52Å; I295-C311 HydrophobicContact CG1-CB 3.73Å; C311-L330 HydrophobicContact CB-CD1 4.31Å; C311-K347 PolarHBondContact O-NZ 2.53Å |
| 312 | G | 93.7 | Very high | 95 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.6 | 172.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P292 C293 | P292-G312 CarbonylContact C-O 3.55Å; P292-G312 VanDerWaalsContact CA-O 3.27Å; P292-G312 WeakPolarHBondContact CA-O 3.26Å; C293-G312 PolarHBondContact N-O 2.76Å |
| 313 | T | 94.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 40.3 Ų | 40.3 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -89.1 | -12.9 | 178.3 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | P290 | P290-T313 WeakPolarHBondContact O-CG2 3.3Š|
| 314 | E | 95 | Very high | 94.7 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 11% | 0.112 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -67.9 | 131.6 | 172.1 | -60.2 | -179.6 | 109.6 | 0 | 0 | 109.6 | C293 I316 T332 S336 Y350 H352 | C293-E314 PolarHBondContact SG-O 3.19Å; C293-E314 VanDerWaalsContact SG-O 3.42Å; E314-I316 PolarHBondContact O-N 2.86Å; E314-T332 HydrophobicContact CB-CG2 3.95Å; E314-S336 VanDerWaalsContact CD-OG 3.28Å; E314-S336 PolarHBondContact OE1-OG 2.72Å; E314-S336 VanDerWaalsContact OE2-CB 3.27Å; E314-S336 WeakPolarHBondContact OE2-CB 3.49Å; E314-S336 PolarHBondContact OE2-OG 2.74Å; E314-S336 VanDerWaalsContact OE2-OG 3.13Å; E314-Y350 PolarHBondContact OE2-OH 3.49Å; E314-H352 IonicContact OE1-CE1 3.75Å; E314-H352 PolarHBondContact OE1-CE1 2.9Å; E314-H352 IonicContact OE1-ND1 2.69Å; E314-H352 PolarHBondContact OE1-ND1 2.96Å |
| 315 | V | 96.4 | Very high | 94.7 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 122.6 | 179 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | I282 T332 V333 | I282-V315 HydrophobicContact CB-CG1 4.4Å; I282-V315 HydrophobicContact CD1-CG1 3.88Å; I282-V315 HydrophobicContact CG2-CG1 4.39Å; V315-T332 CarbonylContact O-C 3.57Å; V315-T332 VanDerWaalsContact O-CA 3.3Å; V315-T332 WeakPolarHBondContact O-CA 3.44Å; V315-T332 WeakPolarHBondContact O-CB 3.36Å; V315-V333 HydrophobicContact CB-CB 4.36Å; V315-V333 HydrophobicContact CB-CG2 3.95Å; V315-V333 HydrophobicContact CG1-CG2 3.93Å; V315-V333 PolarHBondContact O-N 3.23Å |
| 316 | I | 97.7 | Very high | 94.6 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.8 | 176.1 | -49.8 | -55 | 0 | 0 | 0 | 109.2 | M261 V280 I282 C293 E314 L330 G331 T332 | M261-I316 HydrophobicContact CE-CB 3.79Å; M261-I316 HydrophobicContact CE-CG2 3.44Å; M261-I316 VanDerWaalsContact CE-CG2 3.44Å; V280-I316 HydrophobicContact CG1-CB 3.8Å; V280-I316 HydrophobicContact CG1-CG1 3.94Å; V280-I316 HydrophobicContact CG1-CG2 3.99Å; I282-I316 HydrophobicContact CG2-CB 4.33Å; C293-I316 HydrophobicContact CB-CG1 3.89Å; E314-I316 PolarHBondContact O-N 2.86Å; I316-L330 HydrophobicContact CD1-CD1 4.49Å; I316-L330 HydrophobicContact CG2-CB 4.4Å; I316-L330 HydrophobicContact CG2-CD2 4.11Å; I316-G331 WeakPolarHBondContact CA-O 3.35Å; I316-G331 WeakPolarHBondContact CG2-O 3.32Å; I316-T332 HydrophobicContact CD1-CG2 3.96Å |
| 317 | S | 97.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -28.7 | -179.2 | 51.1 | 0 | 0 | 0 | 0 | 113.8 | G331 T332 V359 | S317-G331 PolarHBondContact N-O 2.95Å; S317-G331 PolarHBondContact OG-O 2.84Å; S317-G331 VanDerWaalsContact OG-O 3.13Å; S317-T332 VanDerWaalsContact OG-C 3.28Å; S317-T332 PolarHBondContact OG-N 2.83Å; S317-T332 PolarHBondContact OG-O 2.67Å; S317-V359 VanDerWaalsContact CB-O 3.26Å; S317-V359 WeakPolarHBondContact CB-O 3.38Å; S317-V359 PolarHBondContact OG-O 2.76Å |
| 318 | C | 97.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 153.3 | -178.6 | 58.2 | 0 | 0 | 0 | 0 | 112 | L330 G331 | C318-L330 WeakPolarHBondContact O-CA 3.17Å; C318-G331 PolarHBondContact O-N 2.77Å |
| 319 | L | 98.3 | Very high | 95 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.4 | 179.4 | 172.6 | 70.1 | 0 | 0 | 0 | 110 | A262 R264 V280 L328 G329 L330 | A262-L319 HydrophobicContact CB-CB 3.68Å; A262-L319 HydrophobicContact CB-CD2 4.11Å; R264-L319 HydrophobicContact CB-CD2 4Å; R264-L319 HydrophobicContact CB-CG 4.44Å; R264-L319 HydrophobicContact CG-CB 4.5Å; R264-L319 HydrophobicContact CG-CD2 3.74Å; R264-L319 HydrophobicContact CG-CG 3.86Å; R264-L319 PolarHBondContact NE-O 3.34Å; V280-L319 HydrophobicContact CG2-CB 4.38Å; V280-L319 HydrophobicContact CG2-CD1 4.28Å; V280-L319 HydrophobicContact CG2-CD2 4.08Å; V280-L319 HydrophobicContact CG2-CG 4.48Å; L319-L328 HydrophobicContact CD1-CB 4.46Å; L319-G329 WeakPolarHBondContact CA-O 3.32Å; L319-L330 HydrophobicContact CB-CD2 4.4Å; L319-L330 HydrophobicContact CD1-CD2 3.47Å; L319-L330 VanDerWaalsContact CD1-CD2 3.47Å |
| 320 | A | 97.7 | Very high | 95.1 | Very high | 12 Ų | 12 | 28 Ų | 28 | 10% | 0.099 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L328 G329 V362 F364 | A320-L328 CarbonylContact O-C 3.53Å; A320-L328 WeakPolarHBondContact O-CA 3.38Å; A320-G329 PolarHBondContact N-O 2.95Å; A320-G329 PolarHBondContact O-N 3.24Å; A320-V362 HydrophobicContact CB-CG2 3.86Å; A320-V362 VanDerWaalsContact CB-O 3.27Å; A320-V362 WeakPolarHBondContact CB-O 3.43Å; A320-F364 HydrophobicContact CB-CD2 4.44Å |
| 321 | V | 96.5 | Very high | 95.2 | Very high | 28 Ų | 28 | 24.2 Ų | 24.2 | 17% | 0.17 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 137.1 | 173.1 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | R264 Y278 L328 | R264-V321 HydrophobicContact CB-CG2 3.42Å; R264-V321 VanDerWaalsContact CB-CG2 3.42Å; R264-V321 HydrophobicContact CG-CG2 4.18Å; Y278-V321 HydrophobicContact CD2-CG2 4Å; V321-L328 HydrophobicContact CB-CD2 4.4Å; V321-L328 HydrophobicContact CG1-CD2 4.32Å; V321-L328 HydrophobicContact CG2-CD2 3.73Å |
| 322 | S | 94.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | trans | -67.9 | 150 | 173.7 | 65.9 | 0 | 0 | 0 | 0 | 110.7 | S324 G325 R326 F327 F364 | S322-S324 PolarHBondContact O-N 2.91Å; S322-G325 WeakPolarHBondContact O-CA 3.45Å; S322-G325 PolarHBondContact O-N 3.35Å; S322-G325 PolarHBondContact OG-N 3.31Å; S322-R326 PolarHBondContact OG-N 3.39Å; S322-R326 VanDerWaalsContact OG-N 3.14Å; S322-F327 PolarHBondContact N-O 2.93Å; S322-F327 PolarHBondContact OG-N 3.34Å; S322-F327 VanDerWaalsContact OG-N 3.09Å; S322-F327 PolarHBondContact OG-O 3.3Å; S322-F364 VanDerWaalsContact CA-CD2 3.49Å; S322-F364 VanDerWaalsContact N-CD2 3.34Å | ||
| 323 | D | 88.7 | Confident | 95.5 | Very high | 97 Ų | 97 | 24.9 Ų | 24.9 | 52% | 0.519 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -30.7 | 178.5 | -39.1 | -35.3 | 0 | 0 | 0 | 113.8 | G325 P366 | D323-G325 PolarHBondContact O-N 2.88Å; D323-P366 WeakPolarHBondContact OD2-CA 3.35Å; D323-P366 WeakPolarHBondContact OD2-CB 3.04Å |
| 324 | S | 87 | Confident | 95.5 | Very high | 35 Ų | 35 | 24.8 Ų | 24.8 | 25% | 0.245 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -4.2 | 175.6 | 71.8 | 0 | 0 | 0 | 0 | 113.7 | S322 R326 | S322-S324 PolarHBondContact O-N 2.91Å; S324-R326 PolarHBondContact O-N 2.98Å; S324-R326 WeakPolarHBondContact OG-CG 3.39Å; S324-R326 PolarHBondContact OG-NE 2.94Å; S324-R326 VanDerWaalsContact OG-NE 3.12Å |
| 325 | G | 90.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 67.6 | 9.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116 | N267 S322 D323 A342 | N267-G325 WeakPolarHBondContact O-CA 3.05Å; S322-G325 WeakPolarHBondContact O-CA 3.45Å; S322-G325 PolarHBondContact O-N 3.35Å; S322-G325 PolarHBondContact OG-N 3.31Å; D323-G325 PolarHBondContact O-N 2.88Å; G325-A342 WeakPolarHBondContact O-CB 3.27Å |
| 326 | R | 91.6 | Very high | 95.6 | Very high | 84 Ų | 84 | 22 Ų | 22 | 32% | 0.317 | 12% | 0.122 | S | C | . | . | trans | -91.1 | -24.6 | -171.8 | -64.9 | -171.5 | -64.3 | 175.3 | -1.4 | 114.1 | E269 S322 S324 A342 | E269-R326 HydrophobicContact CB-CG 4.49Å; E269-R326 HydrophobicContact CG-CG 4.26Å; E269-R326 WeakPolarHBondContact OE1-CD 3.43Å; E269-R326 WeakPolarHBondContact OE2-CG 3.13Å; S322-R326 PolarHBondContact OG-N 3.39Å; S322-R326 VanDerWaalsContact OG-N 3.14Å; S324-R326 PolarHBondContact O-N 2.98Å; S324-R326 WeakPolarHBondContact OG-CG 3.39Å; S324-R326 PolarHBondContact OG-NE 2.94Å; S324-R326 VanDerWaalsContact OG-NE 3.12Å; R326-A342 VanDerWaalsContact C-CB 3.5Å; R326-A342 WeakPolarHBondContact O-CB 3.41Å; R326-A342 PolarHBondContact O-N 2.62Å | ||
| 327 | F | 95.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 21.7 Ų | 21.7 | 6% | 0.057 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.6 | -174 | -56.5 | -71.9 | 0 | 0 | 0 | 111.8 | S322 V339 H340 L348 F364 K379 A380 | S322-F327 PolarHBondContact N-O 2.93Å; S322-F327 PolarHBondContact OG-N 3.34Å; S322-F327 VanDerWaalsContact OG-N 3.09Å; S322-F327 PolarHBondContact OG-O 3.3Å; F327-V339 HydrophobicContact CB-CG1 4.07Å; F327-V339 HydrophobicContact CD1-CG1 4.2Å; F327-V339 HydrophobicContact CG-CG1 4.42Å; F327-H340 VanDerWaalsContact CA-O 3.32Å; F327-H340 WeakPolarHBondContact CA-O 3.48Å; F327-L348 HydrophobicContact CD1-CD1 4.01Å; F327-L348 HydrophobicContact CE1-CD1 3.68Å; F327-F364 HydrophobicContact CB-CE1 3.77Å; F327-F364 HydrophobicContact CB-CE2 4.25Å; F327-F364 HydrophobicContact CB-CZ 3.52Å; F327-K379 WeakPolarHBondContact CE2-O 3.35Å; F327-K379 HydrophobicContact CZ-CB 3.98Å; F327-A380 HydrophobicContact CD2-CB 3.73Å; F327-A380 HydrophobicContact CE2-CB 3.91Å; F327-A380 HydrophobicContact CG-CB 4.09Å; F327-A380 HydrophobicContact CZ-CB 4.42Å |
| 328 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.3 | 170.7 | -53.6 | 176.1 | 0 | 0 | 0 | 108.9 | Y278 I295 L319 A320 V321 V339 H340 A342 L345 | Y278-L328 HydrophobicContact CD1-CD1 3.6Å; Y278-L328 HydrophobicContact CD1-CD2 3.94Å; Y278-L328 HydrophobicContact CD1-CG 4.38Å; Y278-L328 HydrophobicContact CD2-CD2 3.82Å; Y278-L328 HydrophobicContact CE1-CD1 3.89Å; Y278-L328 HydrophobicContact CE1-CD2 4.16Å; Y278-L328 HydrophobicContact CE1-CG 4.49Å; Y278-L328 HydrophobicContact CE2-CD2 4.05Å; Y278-L328 HydrophobicContact CG-CD1 4.17Å; Y278-L328 HydrophobicContact CG-CD2 3.75Å; I295-L328 HydrophobicContact CG2-CD1 4.17Å; L319-L328 HydrophobicContact CD1-CB 4.46Å; A320-L328 CarbonylContact O-C 3.53Å; A320-L328 WeakPolarHBondContact O-CA 3.38Å; V321-L328 HydrophobicContact CB-CD2 4.4Å; V321-L328 HydrophobicContact CG1-CD2 4.32Å; V321-L328 HydrophobicContact CG2-CD2 3.73Å; L328-V339 CarbonylContact O-C 3.59Å; L328-V339 VanDerWaalsContact O-CA 3.29Å; L328-V339 WeakPolarHBondContact O-CA 3.45Å; L328-H340 HydrophobicContact CB-CB 4.35Å; L328-H340 PolarHBondContact N-O 3.03Å; L328-H340 PolarHBondContact O-N 3.47Å; L328-A342 HydrophobicContact CD1-CB 4.4Å; L328-A342 HydrophobicContact CD2-CB 3.91Å; L328-A342 HydrophobicContact CG-CB 3.79Å; L328-L345 HydrophobicContact CD1-CD2 3.6Å |
| 329 | G | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L319 A320 F364 | L319-G329 WeakPolarHBondContact CA-O 3.32Å; A320-G329 PolarHBondContact N-O 2.95Å; A320-G329 PolarHBondContact O-N 3.24Å; G329-F364 VanDerWaalsContact N-CE2 3.35Å |
| 330 | L | 98.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 137.6 | 177.6 | -55.9 | 171.1 | 0 | 0 | 0 | 109.9 | V280 I295 C311 I316 C318 L319 V337 A338 H340 | V280-L330 HydrophobicContact CG2-CD2 4.16Å; I295-L330 HydrophobicContact CD1-CD1 3.4Å; I295-L330 VanDerWaalsContact CD1-CD1 3.4Å; I295-L330 HydrophobicContact CD1-CD2 4.46Å; I295-L330 HydrophobicContact CD1-CG 4.44Å; I295-L330 HydrophobicContact CG1-CD1 4.25Å; C311-L330 HydrophobicContact CB-CD1 4.31Å; I316-L330 HydrophobicContact CD1-CD1 4.49Å; I316-L330 HydrophobicContact CG2-CB 4.4Å; I316-L330 HydrophobicContact CG2-CD2 4.11Å; C318-L330 WeakPolarHBondContact O-CA 3.17Å; L319-L330 HydrophobicContact CB-CD2 4.4Å; L319-L330 HydrophobicContact CD1-CD2 3.47Å; L319-L330 VanDerWaalsContact CD1-CD2 3.47Å; L330-V337 WeakPolarHBondContact O-CA 3.48Å; L330-A338 HydrophobicContact CB-CB 4.38Å; L330-A338 PolarHBondContact N-O 3.22Å; L330-A338 PolarHBondContact O-N 2.66Å; L330-H340 VanDerWaalsContact CD1-CE1 3.45Å; L330-H340 WeakPolarHBondContact CD1-CE1 3.2Å |
| 331 | G | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 154 | 164 | 0 | 0 | 0 | 0 | 0 | 110.5 | I316 S317 C318 | I316-G331 WeakPolarHBondContact CA-O 3.35Å; I316-G331 WeakPolarHBondContact CG2-O 3.32Å; S317-G331 PolarHBondContact N-O 2.95Å; S317-G331 PolarHBondContact OG-O 2.84Å; S317-G331 VanDerWaalsContact OG-O 3.13Å; C318-G331 PolarHBondContact O-N 2.77Å |
| 332 | T | 98 | Very high | 95.3 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 160.4 | 176.7 | 79.7 | 0 | 0 | 0 | 0 | 112.2 | E314 V315 I316 S317 N334 G335 S336 V359 | E314-T332 HydrophobicContact CB-CG2 3.95Å; V315-T332 CarbonylContact O-C 3.57Å; V315-T332 VanDerWaalsContact O-CA 3.3Å; V315-T332 WeakPolarHBondContact O-CA 3.44Å; V315-T332 WeakPolarHBondContact O-CB 3.36Å; I316-T332 HydrophobicContact CD1-CG2 3.96Å; S317-T332 VanDerWaalsContact OG-C 3.28Å; S317-T332 PolarHBondContact OG-N 2.83Å; S317-T332 PolarHBondContact OG-O 2.67Å; T332-N334 PolarHBondContact O-N 3.32Å; T332-N334 PolarHBondContact OG1-N 2.76Å; T332-G335 PolarHBondContact O-N 3.24Å; T332-G335 PolarHBondContact OG1-N 2.79Å; T332-S336 PolarHBondContact N-O 3.4Å; T332-S336 WeakPolarHBondContact OG1-CB 3.26Å; T332-S336 PolarHBondContact OG1-N 2.76Å; T332-V359 PolarHBondContact O-N 2.87Å |
| 333 | V | 96.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 24.6 Ų | 24.6 | 28% | 0.279 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.6 | 173 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | V315 G335 V358 | V315-V333 HydrophobicContact CB-CB 4.36Å; V315-V333 HydrophobicContact CB-CG2 3.95Å; V315-V333 HydrophobicContact CG1-CG2 3.93Å; V315-V333 PolarHBondContact O-N 3.23Å; V333-G335 VanDerWaalsContact C-N 3.33Å; V333-V358 HydrophobicContact CG2-CG2 4.41Å; V333-V358 WeakPolarHBondContact O-CA 3.49Å; V333-V358 PolarHBondContact O-N 2.87Å |
| 334 | N | 95.1 | Very high | 95.5 | Very high | 80 Ų | 80 | 22 Ų | 22 | 43% | 0.428 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.6 | 178.7 | -65.8 | 4.2 | 0 | 0 | 0 | 113.1 | T332 | T332-N334 PolarHBondContact O-N 3.32Å; T332-N334 PolarHBondContact OG1-N 2.76Å |
| 335 | G | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 90.3 | 7.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T332 V333 S354 H355 I357 | T332-G335 PolarHBondContact O-N 3.24Å; T332-G335 PolarHBondContact OG1-N 2.79Å; V333-G335 VanDerWaalsContact C-N 3.33Å; G335-S354 PolarHBondContact O-N 3.11Å; G335-H355 WeakPolarHBondContact CA-O 3.48Å; G335-H355 PolarHBondContact O-N 2.97Å; G335-I357 WeakPolarHBondContact CA-O 3.13Å; G335-I357 PolarHBondContact N-O 3.14Å |
| 336 | S | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -77.9 | 147.2 | 175.6 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | E314 T332 V351 H352 E353 | E314-S336 VanDerWaalsContact CD-OG 3.28Å; E314-S336 PolarHBondContact OE1-OG 2.72Å; E314-S336 VanDerWaalsContact OE2-CB 3.27Å; E314-S336 WeakPolarHBondContact OE2-CB 3.49Å; E314-S336 PolarHBondContact OE2-OG 2.74Å; E314-S336 VanDerWaalsContact OE2-OG 3.13Å; T332-S336 PolarHBondContact N-O 3.4Å; T332-S336 WeakPolarHBondContact OG1-CB 3.26Å; T332-S336 PolarHBondContact OG1-N 2.76Å; S336-V351 WeakPolarHBondContact CA-O 3.41Å; S336-H352 WeakPolarHBondContact OG-CA 3.43Å; S336-H352 PolarHBondContact OG-ND1 3.37Å; S336-E353 PolarHBondContact OG-N 2.76Å | ||
| 337 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.5 | 179.4 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | L330 Y350 V351 V359 L382 | L330-V337 WeakPolarHBondContact O-CA 3.48Å; V337-Y350 WeakPolarHBondContact O-CA 3.35Å; V337-V351 PolarHBondContact N-O 3.02Å; V337-V351 PolarHBondContact O-N 2.99Å; V337-V359 HydrophobicContact CG2-CG2 3.96Å; V337-L382 HydrophobicContact CG1-CD2 3.71Å |
| 338 | A | 97.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L330 Y349 Y350 | L330-A338 HydrophobicContact CB-CB 4.38Å; L330-A338 PolarHBondContact N-O 3.22Å; L330-A338 PolarHBondContact O-N 2.66Å; A338-Y349 CarbonylContact C-O 3.54Å; A338-Y349 VanDerWaalsContact CA-O 3.24Å; A338-Y349 WeakPolarHBondContact CA-O 3.11Å; A338-Y350 HydrophobicContact CB-CD2 4.05Å |
| 339 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130 | 168.4 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | F327 L328 L348 Y349 F364 L382 V396 | F327-V339 HydrophobicContact CB-CG1 4.07Å; F327-V339 HydrophobicContact CD1-CG1 4.2Å; F327-V339 HydrophobicContact CG-CG1 4.42Å; L328-V339 CarbonylContact O-C 3.59Å; L328-V339 VanDerWaalsContact O-CA 3.29Å; L328-V339 WeakPolarHBondContact O-CA 3.45Å; V339-L348 PolarHBondContact O-N 3.4Å; V339-Y349 HydrophobicContact CG2-CD1 4.21Å; V339-Y349 HydrophobicContact CG2-CG 4.44Å; V339-Y349 PolarHBondContact N-O 2.87Å; V339-Y349 PolarHBondContact O-N 2.93Å; V339-Y349 VanDerWaalsContact O-N 3.08Å; V339-F364 HydrophobicContact CG1-CE1 4.11Å; V339-F364 HydrophobicContact CG1-CZ 4.06Å; V339-L382 HydrophobicContact CG2-CB 4.3Å; V339-L382 HydrophobicContact CG2-CD2 3.98Å; V339-V396 HydrophobicContact CB-CG2 4.11Å; V339-V396 HydrophobicContact CG1-CG2 4.17Å; V339-V396 HydrophobicContact CG2-CG2 4.03Å |
| 340 | H | 96.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 154.5 | 176.7 | -62.1 | 70.2 | 0 | 0 | 0 | 110.8 | F327 L328 L330 L345 Q346 K347 | F327-H340 VanDerWaalsContact CA-O 3.32Å; F327-H340 WeakPolarHBondContact CA-O 3.48Å; L328-H340 HydrophobicContact CB-CB 4.35Å; L328-H340 PolarHBondContact N-O 3.03Å; L328-H340 PolarHBondContact O-N 3.47Å; L330-H340 VanDerWaalsContact CD1-CE1 3.45Å; L330-H340 WeakPolarHBondContact CD1-CE1 3.2Å; H340-L345 PolarHBondContact CD2-O 2.66Å; H340-Q346 CarbonylContact C-O 3.49Å; H340-Q346 WeakPolarHBondContact CA-O 3.47Å; H340-Q346 WeakPolarHBondContact CB-O 3.46Å; H340-K347 WeakPolarHBondContact CD2-CA 3.32Å; H340-K347 PolarHBondContact CD2-N 2.97Å; H340-K347 WeakPolarHBondContact NE2-CB 3.32Å; H340-K347 VanDerWaalsContact NE2-CE 3.3Å; H340-K347 WeakPolarHBondContact NE2-CE 3.38Å |
| 341 | I | 95.1 | Very high | 95.8 | Very high | 42 Ų | 42 | 34.3 Ų | 34.3 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 127.4 | 164.3 | -61.7 | 172.9 | 0 | 0 | 0 | 107.7 | F343 L345 Q346 L348 | I341-F343 VanDerWaalsContact C-N 3.34Å; I341-F343 HydrophobicContact CG2-CB 4Å; I341-F343 PolarHBondContact O-N 2.77Å; I341-L345 WeakPolarHBondContact O-CA 3.37Å; I341-L345 PolarHBondContact O-N 3.12Å; I341-Q346 PolarHBondContact N-O 2.85Å; I341-L348 HydrophobicContact CD1-CD1 4Å; I341-L348 HydrophobicContact CD1-CD2 3.88Å; I341-L348 HydrophobicContact CD1-CG 4.02Å; I341-L348 HydrophobicContact CG1-CD1 3.29Å; I341-L348 HydrophobicContact CG1-CD2 4.01Å; I341-L348 HydrophobicContact CG1-CG 3.56Å |
| 342 | A | 94.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -30.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y278 G325 R326 L328 | Y278-A342 HydrophobicContact CE1-CB 4.23Å; Y278-A342 VanDerWaalsContact CE1-O 3.26Å; Y278-A342 WeakPolarHBondContact CE1-O 3.4Å; Y278-A342 HydrophobicContact CE2-CB 4.44Å; Y278-A342 WeakPolarHBondContact OH-CB 3.42Å; Y278-A342 PolarHBondContact OH-O 3.26Å; G325-A342 WeakPolarHBondContact O-CB 3.27Å; R326-A342 VanDerWaalsContact C-CB 3.5Å; R326-A342 WeakPolarHBondContact O-CB 3.41Å; R326-A342 PolarHBondContact O-N 2.62Å; L328-A342 HydrophobicContact CD1-CB 4.4Å; L328-A342 HydrophobicContact CD2-CB 3.91Å; L328-A342 HydrophobicContact CG-CB 3.79Å |
| 343 | F | 92.9 | Very high | 95.5 | Very high | 98 Ų | 98 | 43.6 Ų | 43.6 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -52.8 | 176.6 | 174.2 | -104.5 | 0 | 0 | 0 | 113 | D270 K297 I341 | D270-F343 VanDerWaalsContact CG-CE2 3.48Å; D270-F343 VanDerWaalsContact OD1-CD2 3.28Å; D270-F343 WeakPolarHBondContact OD1-CD2 3.37Å; D270-F343 WeakPolarHBondContact OD1-CE2 3.38Å; D270-F343 WeakPolarHBondContact OD2-CD2 3.46Å; D270-F343 WeakPolarHBondContact OD2-CE2 3.31Å; K297-F343 PolarHBondContact NZ-O 3.3Å; I341-F343 VanDerWaalsContact C-N 3.34Å; I341-F343 HydrophobicContact CG2-CB 4Å; I341-F343 PolarHBondContact O-N 2.77Å |
| 344 | S | 94.1 | Very high | 95.4 | Very high | 42 Ų | 42 | 42 Ų | 42 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -4.2 | -171.8 | 61.6 | 0 | 0 | 0 | 0 | 114.7 | L307 Q346 | L307-S344 WeakPolarHBondContact CD2-O 3.48Å; S344-Q346 PolarHBondContact O-N 3.43Å; S344-Q346 VanDerWaalsContact O-N 3.08Å; S344-Q346 WeakPolarHBondContact OG-CB 3.21Å; S344-Q346 PolarHBondContact OG-N 3.01Å |
| 345 | L | 95.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | trans | 55.5 | 20.6 | -172.1 | -53.7 | -176.5 | 0 | 0 | 0 | 114 | Y278 I295 K297 L307 L328 H340 I341 | Y278-L345 HydrophobicContact CD1-CD2 4.26Å; Y278-L345 HydrophobicContact CE1-CD2 4.13Å; I295-L345 HydrophobicContact CB-CD1 4.45Å; I295-L345 HydrophobicContact CG2-CD1 4.28Å; I295-L345 HydrophobicContact CG2-CD2 3.95Å; I295-L345 WeakPolarHBondContact O-CD1 3.47Å; K297-L345 HydrophobicContact CB-CD1 4.16Å; K297-L345 HydrophobicContact CB-CD2 4.32Å; K297-L345 HydrophobicContact CB-CG 4.43Å; L307-L345 HydrophobicContact CB-CD1 4.3Å; L307-L345 HydrophobicContact CD2-CB 4.25Å; L307-L345 HydrophobicContact CD2-CD1 4.1Å; L307-L345 HydrophobicContact CD2-CG 3.97Å; L307-L345 HydrophobicContact CG-CD1 3.97Å; L307-L345 HydrophobicContact CG-CG 4.39Å; L307-L345 WeakPolarHBondContact O-CD1 3.38Å; L328-L345 HydrophobicContact CD1-CD2 3.6Å; H340-L345 PolarHBondContact CD2-O 2.66Å; I341-L345 WeakPolarHBondContact O-CA 3.37Å; I341-L345 PolarHBondContact O-N 3.12Å | ||
| 346 | Q | 94.4 | Very high | 95.4 | Very high | 120 Ų | 120 | 41.5 Ų | 41.5 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | trans | -77.9 | 132.3 | 178.5 | -173.9 | 179.9 | -0.2 | 0 | 0 | 110.9 | H340 I341 S344 L348 | H340-Q346 CarbonylContact C-O 3.49Å; H340-Q346 WeakPolarHBondContact CA-O 3.47Å; H340-Q346 WeakPolarHBondContact CB-O 3.46Å; I341-Q346 PolarHBondContact N-O 2.85Å; S344-Q346 PolarHBondContact O-N 3.43Å; S344-Q346 VanDerWaalsContact O-N 3.08Å; S344-Q346 WeakPolarHBondContact OG-CB 3.21Å; S344-Q346 PolarHBondContact OG-N 3.01Å; Q346-L348 PolarHBondContact O-N 2.83Å | ||
| 347 | K | 94.7 | Very high | 95.3 | Very high | 87 Ų | 87 | 45.1 Ų | 45.1 | 38% | 0.378 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 117 | 175.2 | -169.1 | 174.9 | -67.6 | -173.5 | 0 | 110.5 | C311 H340 Y350 | C311-K347 PolarHBondContact O-NZ 2.53Å; H340-K347 WeakPolarHBondContact CD2-CA 3.32Å; H340-K347 PolarHBondContact CD2-N 2.97Å; H340-K347 WeakPolarHBondContact NE2-CB 3.32Å; H340-K347 VanDerWaalsContact NE2-CE 3.3Å; H340-K347 WeakPolarHBondContact NE2-CE 3.38Å; K347-Y350 HydrophobicContact CD-CG 4.4Å |
| 348 | L | 93.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 32% | 0.319 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -33.9 | 177.8 | -76.5 | 179.1 | 0 | 0 | 0 | 113.4 | F327 V339 I341 Q346 | F327-L348 HydrophobicContact CD1-CD1 4.01Å; F327-L348 HydrophobicContact CE1-CD1 3.68Å; V339-L348 PolarHBondContact O-N 3.4Å; I341-L348 HydrophobicContact CD1-CD1 4Å; I341-L348 HydrophobicContact CD1-CD2 3.88Å; I341-L348 HydrophobicContact CD1-CG 4.02Å; I341-L348 HydrophobicContact CG1-CD1 3.29Å; I341-L348 HydrophobicContact CG1-CD2 4.01Å; I341-L348 HydrophobicContact CG1-CG 3.56Å; Q346-L348 PolarHBondContact O-N 2.83Å |
| 349 | Y | 94.6 | Very high | 95.3 | Very high | 19 Ų | 19 | 46.6 Ų | 46.6 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 138.9 | -175.1 | 178.5 | -83.7 | 0 | 0 | 0 | 108.6 | A338 V339 V351 H394 V396 | A338-Y349 CarbonylContact C-O 3.54Å; A338-Y349 VanDerWaalsContact CA-O 3.24Å; A338-Y349 WeakPolarHBondContact CA-O 3.11Å; V339-Y349 HydrophobicContact CG2-CD1 4.21Å; V339-Y349 HydrophobicContact CG2-CG 4.44Å; V339-Y349 PolarHBondContact N-O 2.87Å; V339-Y349 PolarHBondContact O-N 2.93Å; V339-Y349 VanDerWaalsContact O-N 3.08Å; Y349-V351 HydrophobicContact CE1-CB 4.29Å; Y349-V351 HydrophobicContact CE1-CG2 3.6Å; Y349-V351 HydrophobicContact CE2-CG2 4.36Å; Y349-V351 VanDerWaalsContact CZ-CG2 3.47Å; Y349-V351 WeakPolarHBondContact OH-CG2 3.41Å; Y349-H394 HydrophobicContact CE1-CB 3.83Å; Y349-H394 AromaticContact CE1-CG 3.92Å; Y349-H394 AromaticContact CE1-ND1 3.38Å; Y349-H394 WeakPolarHBondContact CE1-ND1 3.33Å; Y349-H394 AromaticContact CZ-ND1 3.5Å; Y349-H394 PolarHBondContact OH-ND1 3.02Å; Y349-V396 HydrophobicContact CD2-CG2 4.42Å; Y349-V396 HydrophobicContact CG-CG2 4.36Å |
| 350 | Y | 95.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 132.4 | 174.4 | 179.5 | -108.7 | 0 | 0 | 0 | 109.6 | E314 V337 A338 K347 H352 | E314-Y350 PolarHBondContact OE2-OH 3.49Å; V337-Y350 WeakPolarHBondContact O-CA 3.35Å; A338-Y350 HydrophobicContact CB-CD2 4.05Å; K347-Y350 HydrophobicContact CD-CG 4.4Å; Y350-H352 HydrophobicContact CE1-CB 3.76Å; Y350-H352 PolarHBondContact OH-ND1 2.94Å |
| 351 | V | 95.8 | Very high | 95.4 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 118.5 | 166.7 | 176 | 0 | 0 | 0 | 0 | 107.3 | K4 V6 S336 V337 Y349 | K4-V351 HydrophobicContact CD-CG2 4.19Å; V6-V351 HydrophobicContact CG2-CB 4.43Å; V6-V351 HydrophobicContact CG2-CG1 3.92Å; V6-V351 HydrophobicContact CG2-CG2 4.06Å; S336-V351 WeakPolarHBondContact CA-O 3.41Å; V337-V351 PolarHBondContact N-O 3.02Å; V337-V351 PolarHBondContact O-N 2.99Å; Y349-V351 HydrophobicContact CE1-CB 4.29Å; Y349-V351 HydrophobicContact CE1-CG2 3.6Å; Y349-V351 HydrophobicContact CE2-CG2 4.36Å; Y349-V351 VanDerWaalsContact CZ-CG2 3.47Å; Y349-V351 WeakPolarHBondContact OH-CG2 3.41Å |
| 352 | H | 95.5 | Very high | 95.6 | Very high | 102 Ų | 102 | 46.8 Ų | 46.8 | 47% | 0.472 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 132.5 | 175 | -172.2 | 55.6 | 0 | 0 | 0 | 110.1 | E314 S336 Y350 S354 | E314-H352 IonicContact OE1-CE1 3.75Å; E314-H352 PolarHBondContact OE1-CE1 2.9Å; E314-H352 IonicContact OE1-ND1 2.69Å; E314-H352 PolarHBondContact OE1-ND1 2.96Å; S336-H352 WeakPolarHBondContact OG-CA 3.43Å; S336-H352 PolarHBondContact OG-ND1 3.37Å; Y350-H352 HydrophobicContact CE1-CB 3.76Å; Y350-H352 PolarHBondContact OH-ND1 2.94Å; H352-S354 VanDerWaalsContact C-N 3.28Å; H352-S354 PolarHBondContact O-N 2.79Å |
| 353 | E | 94.9 | Very high | 95.7 | Very high | 99 Ų | 99 | 47.9 Ų | 47.9 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 49 | 176.9 | -62.3 | 178.7 | 167.5 | 0 | 0 | 112.6 | S336 H355 | S336-E353 PolarHBondContact OG-N 2.76Å; E353-H355 CarbonylContact C-O 3.51Å; E353-H355 VanDerWaalsContact C-O 3.32Å; E353-H355 PolarHBondContact O-N 3.02Å |
| 354 | S | 94.8 | Very high | 95.8 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -62.8 | -40.2 | 175.1 | -157.7 | 0 | 0 | 0 | 0 | 111 | V6 G335 H352 R390 Q392 H394 | V6-S354 WeakPolarHBondContact CG2-OG 3.41Å; G335-S354 PolarHBondContact O-N 3.11Å; H352-S354 VanDerWaalsContact C-N 3.28Å; H352-S354 PolarHBondContact O-N 2.79Å; S354-R390 PolarHBondContact O-NH2 2.79Å; S354-Q392 PolarHBondContact O-NE2 2.82Å; S354-Q392 VanDerWaalsContact O-NE2 3.1Å; S354-Q392 PolarHBondContact O-OE1 3.15Å; S354-Q392 PolarHBondContact OG-OE1 3.15Å; S354-H394 PolarHBondContact OG-CE1 2.95Å; S354-H394 VanDerWaalsContact OG-CE1 3.23Å |
| 355 | H | 96.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -98.9 | 153.6 | 165.7 | -62.8 | -87.6 | 0 | 0 | 0 | 109.9 | G335 E353 I357 V359 S384 A386 D388 R390 Q392 | G335-H355 WeakPolarHBondContact CA-O 3.48Å; G335-H355 PolarHBondContact O-N 2.97Å; E353-H355 CarbonylContact C-O 3.51Å; E353-H355 VanDerWaalsContact C-O 3.32Å; E353-H355 PolarHBondContact O-N 3.02Å; H355-I357 WeakPolarHBondContact CB-O 3.41Å; H355-I357 PolarHBondContact O-N 2.94Å; H355-V359 HydrophobicContact CB-CG2 4.47Å; H355-S384 WeakPolarHBondContact NE2-CB 3.43Å; H355-S384 PolarHBondContact NE2-OG 2.91Å; H355-A386 HydrophobicContact CB-CB 3.71Å; H355-A386 VanDerWaalsContact CG-CB 3.49Å; H355-A386 VanDerWaalsContact ND1-CB 3.35Å; H355-A386 WeakPolarHBondContact ND1-CB 3.37Å; H355-D388 WeakPolarHBondContact CA-OD2 3.29Å; H355-D388 WeakPolarHBondContact CB-OD2 3.29Å; H355-D388 IonicContact CG-OD2 3.62Å; H355-D388 IonicContact ND1-OD1 3.45Å; H355-D388 PolarHBondContact ND1-OD1 2.88Å; H355-D388 IonicContact ND1-OD2 2.72Å; H355-D388 PolarHBondContact ND1-OD2 2.88Å; H355-R390 PolarHBondContact CE1-O 2.92Å; H355-Q392 PolarHBondContact NE2-OE1 2.93Å |
| 356 | G | 93.5 | Very high | 95.5 | Very high | 70 Ų | 70 | 41.7 Ų | 41.7 | 72% | 0.722 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -81.4 | -1.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D388 | G356-D388 PolarHBondContact N-OD2 3.48Š|
| 357 | I | 95.7 | Very high | 94.8 | Very high | 75 Ų | 75 | 39.2 Ų | 39.2 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -156.7 | 179.4 | -173 | -162.1 | 167 | 0 | 0 | 0 | 108.8 | G335 H355 V359 A386 V387 D388 | G335-I357 WeakPolarHBondContact CA-O 3.13Å; G335-I357 PolarHBondContact N-O 3.14Å; H355-I357 WeakPolarHBondContact CB-O 3.41Å; H355-I357 PolarHBondContact O-N 2.94Å; I357-V359 PolarHBondContact O-N 2.79Å; I357-A386 HydrophobicContact CG2-CB 4.49Å; I357-V387 HydrophobicContact CD1-CB 4.23Å; I357-V387 HydrophobicContact CD1-CG1 4.09Å; I357-V387 HydrophobicContact CG2-CB 3.74Å; I357-D388 HydrophobicContact CG2-CB 3.88Å |
| 358 | V | 97.5 | Very high | 93.9 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | trans | -46.6 | 125.2 | -178.9 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | V333 T360 A386 V387 | V333-V358 HydrophobicContact CG2-CG2 4.41Å; V333-V358 WeakPolarHBondContact O-CA 3.49Å; V333-V358 PolarHBondContact O-N 2.87Å; V358-T360 HydrophobicContact CG1-CG2 4.34Å; V358-T360 PolarHBondContact O-N 3.13Å; V358-A386 WeakPolarHBondContact O-CA 3.48Å; V358-A386 WeakPolarHBondContact O-CB 3.42Å; V358-V387 HydrophobicContact CG1-CB 4.38Å; V358-V387 HydrophobicContact CG1-CG2 3.57Å; V358-V387 PolarHBondContact O-N 3.34Å | ||
| 359 | V | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 118.3 | 164.3 | -171.4 | 0 | 0 | 0 | 0 | 107.2 | S317 T332 V337 H355 I357 V362 V385 | S317-V359 VanDerWaalsContact CB-O 3.26Å; S317-V359 WeakPolarHBondContact CB-O 3.38Å; S317-V359 PolarHBondContact OG-O 2.76Å; T332-V359 PolarHBondContact O-N 2.87Å; V337-V359 HydrophobicContact CG2-CG2 3.96Å; H355-V359 HydrophobicContact CB-CG2 4.47Å; I357-V359 PolarHBondContact O-N 2.79Å; V359-V362 HydrophobicContact CG1-CG1 3.68Å; V359-V385 CarbonylContact C-O 3.54Å; V359-V385 WeakPolarHBondContact CA-O 3.09Å; V359-V385 WeakPolarHBondContact CG1-O 3.34Å |
| 360 | T | 98 | Very high | 91.8 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 20% | 0.202 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -33.3 | -173.3 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | L16 Y17 V358 V385 V387 | L16-T360 PolarHBondContact O-OG1 2.83Å; Y17-T360 VanDerWaalsContact C-OG1 3.27Å; Y17-T360 WeakPolarHBondContact CA-OG1 3.42Å; Y17-T360 HydrophobicContact CD1-CG2 4.11Å; Y17-T360 WeakPolarHBondContact O-CB 3.41Å; Y17-T360 PolarHBondContact O-OG1 3.02Å; V358-T360 HydrophobicContact CG1-CG2 4.34Å; V358-T360 PolarHBondContact O-N 3.13Å; T360-V385 PolarHBondContact N-O 2.82Å; T360-V385 PolarHBondContact OG1-O 2.94Å; T360-V387 HydrophobicContact CG2-CG2 3.57Å |
| 361 | D | 98.4 | Very high | 90.3 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 153 | 179.9 | -161.7 | 4.9 | 0 | 0 | 0 | 110.6 | T18 V19 K20 V385 | T18-D361 WeakPolarHBondContact CA-OD2 3.5Å; T18-D361 PolarHBondContact OG1-OD2 2.82Å; V19-D361 HydrophobicContact CG1-CB 4.15Å; V19-D361 PolarHBondContact N-OD2 2.88Å; K20-D361 IonicContact NZ-OD1 3.25Å; K20-D361 PolarHBondContact NZ-OD1 2.98Å; K20-D361 IonicContact NZ-OD2 3.3Å; K20-D361 PolarHBondContact NZ-OD2 2.75Å; D361-V385 HydrophobicContact CB-CG2 3.83Å; D361-V385 PolarHBondContact O-N 3.3Å |
| 362 | V | 98.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 145.4 | 176.7 | -66.3 | 0 | 0 | 0 | 0 | 109.2 | A320 V359 L382 L383 | A320-V362 HydrophobicContact CB-CG2 3.86Å; A320-V362 VanDerWaalsContact CB-O 3.27Å; A320-V362 WeakPolarHBondContact CB-O 3.43Å; V359-V362 HydrophobicContact CG1-CG1 3.68Å; V362-L382 HydrophobicContact CB-CD1 4.13Å; V362-L382 HydrophobicContact CB-CD2 4.31Å; V362-L382 HydrophobicContact CB-CG 4.35Å; V362-L382 HydrophobicContact CG1-CD2 4.43Å; V362-L383 CarbonylContact C-O 3.58Å; V362-L383 WeakPolarHBondContact CA-O 3.26Å |
| 363 | V | 97.6 | Very high | 88.2 | Confident | 23 Ų | 23 | 46 Ų | 46 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 139.6 | 179 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | V19 V21 L383 | V19-V363 HydrophobicContact CB-CG1 4.27Å; V19-V363 HydrophobicContact CG1-CB 4.22Å; V19-V363 HydrophobicContact CG1-CG1 3.64Å; V19-V363 HydrophobicContact CG2-CG1 3.81Å; V21-V363 HydrophobicContact CG2-CB 4.47Å; V21-V363 HydrophobicContact CG2-CG1 3.64Å; V21-V363 HydrophobicContact CG2-CG2 3.94Å; V363-L383 HydrophobicContact CG1-CB 3.91Å; V363-L383 HydrophobicContact CG1-CD1 4.11Å; V363-L383 HydrophobicContact CG1-CG 4.45Å; V363-L383 PolarHBondContact N-O 3.39Å; V363-L383 PolarHBondContact O-N 2.97Å |
| 364 | F | 95.9 | Very high | 87.5 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 141.3 | 173.8 | -74.8 | -81.5 | 0 | 0 | 0 | 110.2 | A320 S322 F327 G329 V339 A380 A381 L382 | A320-F364 HydrophobicContact CB-CD2 4.44Å; S322-F364 VanDerWaalsContact CA-CD2 3.49Å; S322-F364 VanDerWaalsContact N-CD2 3.34Å; F327-F364 HydrophobicContact CB-CE1 3.77Å; F327-F364 HydrophobicContact CB-CE2 4.25Å; F327-F364 HydrophobicContact CB-CZ 3.52Å; G329-F364 VanDerWaalsContact N-CE2 3.35Å; V339-F364 HydrophobicContact CG1-CE1 4.11Å; V339-F364 HydrophobicContact CG1-CZ 4.06Å; F364-A380 HydrophobicContact CD1-CB 4.23Å; F364-A380 HydrophobicContact CE1-CB 4.03Å; F364-A381 WeakPolarHBondContact CA-O 3.48Å; F364-L382 HydrophobicContact CD1-CB 4.11Å; F364-L382 HydrophobicContact CD1-CD1 3.8Å; F364-L382 HydrophobicContact CD2-CD1 3.77Å; F364-L382 HydrophobicContact CE1-CB 4.02Å; F364-L382 HydrophobicContact CE1-CD1 3.78Å; F364-L382 HydrophobicContact CE1-CG 4.46Å; F364-L382 HydrophobicContact CE2-CD1 3.77Å; F364-L382 HydrophobicContact CG-CD1 3.81Å; F364-L382 HydrophobicContact CZ-CD1 3.77Å |
| 365 | L | 93 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 137 | 162.1 | -68.7 | 178.2 | 0 | 0 | 0 | 108.5 | V21 V28 Y58 I374 K375 A381 L383 | V21-L365 HydrophobicContact CG1-CD2 4.39Å; V21-L365 HydrophobicContact CG2-CD2 4.19Å; V28-L365 HydrophobicContact CG2-CD2 4.2Å; Y58-L365 HydrophobicContact CD1-CD1 4.29Å; Y58-L365 HydrophobicContact CE1-CD1 3.85Å; L365-I374 HydrophobicContact CB-CG2 4.17Å; L365-I374 HydrophobicContact CD1-CG2 4.42Å; L365-K375 WeakPolarHBondContact O-CE 3.07Å; L365-K375 PolarHBondContact O-NZ 3.24Å; L365-A381 HydrophobicContact CB-CB 4.25Å; L365-A381 HydrophobicContact CD1-CB 3.87Å; L365-A381 HydrophobicContact CG-CB 4.34Å; L365-A381 PolarHBondContact N-O 3.1Å; L365-L383 HydrophobicContact CD2-CD1 3.79Å; L365-L383 HydrophobicContact CD2-CG 4.18Å; L365-L383 HydrophobicContact CG-CD1 4.41Å; L365-L383 HydrophobicContact CG-CG 4.25Å |
| 366 | P | 89 | Confident | 85.8 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 5% | 0.045 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 162.1 | 175.8 | 29.2 | -34 | 0 | 0 | 0 | 110.5 | V21 A23 D323 L368 M369 I374 K375 | V21-P366 HydrophobicContact CG1-CG 4.21Å; A23-P366 HydrophobicContact CB-CB 4.21Å; A23-P366 HydrophobicContact CB-CG 3.94Å; D323-P366 WeakPolarHBondContact OD2-CA 3.35Å; D323-P366 WeakPolarHBondContact OD2-CB 3.04Å; P366-L368 WeakPolarHBondContact CG-O 3.43Å; P366-L368 PolarHBondContact O-N 3.07Å; P366-M369 HydrophobicContact CG-CG 3.6Å; P366-M369 HydrophobicContact CG-SD 3.15Å; P366-M369 WeakPolarHBondContact CG-SD 3.39Å; P366-I374 WeakPolarHBondContact O-CG2 3.3Å; P366-K375 VanDerWaalsContact C-CE 3.45Å; P366-K375 VanDerWaalsContact O-CE 3.26Å; P366-K375 WeakPolarHBondContact O-CE 3.28Å |
| 367 | N | 79.2 | Confident | 85.1 | Confident | 69 Ų | 69 | 45.5 Ų | 45.5 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -62.6 | -37.4 | 178.6 | -71.6 | -25.2 | 0 | 0 | 0 | 111.7 | K375 | N367-K375 WeakPolarHBondContact OD1-CD 3.32Å; N367-K375 WeakPolarHBondContact OD1-CE 3.34Å; N367-K375 PolarHBondContact OD1-NZ 3.23Å |
| 368 | L | 77.1 | Confident | 84.6 | Confident | 108 Ų | 108 | 42.5 Ų | 42.5 | 57% | 0.565 | 24% | 0.24 | S | C | * | . | trans | -121.5 | 128.3 | -179.5 | -67.2 | 163.6 | 0 | 0 | 0 | 108 | P366 Q372 | P366-L368 WeakPolarHBondContact CG-O 3.43Å; P366-L368 PolarHBondContact O-N 3.07Å; L368-Q372 WeakPolarHBondContact CA-O 3.37Å | ||
| 369 | M | 74.3 | Confident | 84.1 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -124.2 | 122.8 | 170.4 | -74.6 | -71.8 | -92.2 | 0 | 0 | 107.3 | V21 G26 P366 G371 Q372 I374 | V21-M369 HydrophobicContact CG1-CE 3.26Å; V21-M369 HydrophobicContact CG1-SD 3.6Å; G26-M369 WeakPolarHBondContact O-CE 3.23Å; P366-M369 HydrophobicContact CG-CG 3.6Å; P366-M369 HydrophobicContact CG-SD 3.15Å; P366-M369 WeakPolarHBondContact CG-SD 3.39Å; M369-G371 PolarHBondContact O-N 3.48Å; M369-G371 VanDerWaalsContact O-N 3.12Å; M369-Q372 PolarHBondContact N-O 2.88Å; M369-Q372 WeakPolarHBondContact O-CB 3.48Å; M369-Q372 PolarHBondContact O-N 3.48Å; M369-I374 HydrophobicContact CB-CB 4.19Å; M369-I374 HydrophobicContact CB-CD1 4.08Å; M369-I374 HydrophobicContact CB-CG2 4.24Å; M369-I374 HydrophobicContact CG-CB 4.1Å; M369-I374 HydrophobicContact CG-CD1 3.91Å; M369-I374 HydrophobicContact CG-CG2 3.65Å |
| 370 | K | 70.1 | Confident | 83.7 | Confident | 100 Ų | 100 | 44.5 Ų | 44.5 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 32.2 | -171.7 | -59.5 | 171 | -178.8 | 169.9 | 0 | 112.9 | T25 D49 Q372 | T25-K370 WeakPolarHBondContact O-CE 3.35Å; D49-K370 IonicContact OD1-NZ 2.8Å; D49-K370 PolarHBondContact OD1-NZ 3.35Å; K370-Q372 PolarHBondContact O-N 3.42Å |
| 371 | G | 62.9 | Low | 83.5 | Confident | 64 Ų | 64 | 43 Ų | 43 | 66% | 0.66 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 3.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | M369 | M369-G371 PolarHBondContact O-N 3.48Å; M369-G371 VanDerWaalsContact O-N 3.12Å |
| 372 | Q | 70.1 | Confident | 83.4 | Confident | 144 Ų | 144 | 42.2 Ų | 42.2 | 67% | 0.673 | 23% | 0.232 | S | C | * | . | B | Isolated β-bridge | trans | -101.6 | 145.5 | 177.8 | -61.2 | -174.7 | 5.4 | 0 | 0 | 111.8 | L368 M369 K370 I374 | L368-Q372 WeakPolarHBondContact CA-O 3.37Å; M369-Q372 PolarHBondContact N-O 2.88Å; M369-Q372 WeakPolarHBondContact O-CB 3.48Å; M369-Q372 PolarHBondContact O-N 3.48Å; K370-Q372 PolarHBondContact O-N 3.42Å; Q372-I374 PolarHBondContact O-N 3.38Å; Q372-I374 VanDerWaalsContact O-N 3.1Å |
| 373 | N | 77 | Confident | 83.3 | Confident | 91 Ų | 91 | 42.1 Ų | 42.1 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | trans | -76.9 | 95.7 | 175.4 | 179.2 | 8.5 | 0 | 0 | 0 | 110.7 | K375 G376 | N373-K375 PolarHBondContact OD1-N 2.99Å; N373-K375 VanDerWaalsContact OD1-N 3.08Å; N373-G376 PolarHBondContact ND2-O 2.97Å; N373-G376 PolarHBondContact OD1-N 2.91Å; N373-G376 VanDerWaalsContact OD1-N 3.11Å | ||
| 374 | I | 80.6 | Confident | 83.3 | Confident | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -79.1 | -18.1 | 178.3 | -156.4 | 160.6 | 0 | 0 | 0 | 113 | V50 Y58 L365 P366 M369 Q372 G376 | V50-I374 HydrophobicContact CG1-CD1 4.36Å; V50-I374 VanDerWaalsContact O-CD1 3.28Å; V50-I374 WeakPolarHBondContact O-CD1 3.29Å; Y58-I374 HydrophobicContact CE1-CG1 4.09Å; Y58-I374 WeakPolarHBondContact CE1-O 3.25Å; Y58-I374 PolarHBondContact OH-O 2.89Å; L365-I374 HydrophobicContact CB-CG2 4.17Å; L365-I374 HydrophobicContact CD1-CG2 4.42Å; P366-I374 WeakPolarHBondContact O-CG2 3.3Å; M369-I374 HydrophobicContact CB-CB 4.19Å; M369-I374 HydrophobicContact CB-CD1 4.08Å; M369-I374 HydrophobicContact CB-CG2 4.24Å; M369-I374 HydrophobicContact CG-CB 4.1Å; M369-I374 HydrophobicContact CG-CD1 3.91Å; M369-I374 HydrophobicContact CG-CG2 3.65Å; Q372-I374 PolarHBondContact O-N 3.38Å; Q372-I374 VanDerWaalsContact O-N 3.1Å; I374-G376 VanDerWaalsContact C-N 3.31Å |
| 375 | K | 76.1 | Confident | 83.4 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -77 | -22.4 | 177.8 | -67.5 | -176.7 | -175.6 | 177.3 | 0 | 112.1 | L365 P366 N367 N373 N377 N378 | L365-K375 WeakPolarHBondContact O-CE 3.07Å; L365-K375 PolarHBondContact O-NZ 3.24Å; P366-K375 VanDerWaalsContact C-CE 3.45Å; P366-K375 VanDerWaalsContact O-CE 3.26Å; P366-K375 WeakPolarHBondContact O-CE 3.28Å; N367-K375 WeakPolarHBondContact OD1-CD 3.32Å; N367-K375 WeakPolarHBondContact OD1-CE 3.34Å; N367-K375 PolarHBondContact OD1-NZ 3.23Å; N373-K375 PolarHBondContact OD1-N 2.99Å; N373-K375 VanDerWaalsContact OD1-N 3.08Å; K375-N377 PolarHBondContact O-N 3.1Å; K375-N378 WeakPolarHBondContact O-CB 3.26Å; K375-N378 PolarHBondContact O-N 3.46Å; K375-N378 PolarHBondContact O-ND2 3.42Å |
| 376 | G | 78.3 | Confident | 83.7 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -119.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | N373 I374 | N373-G376 PolarHBondContact ND2-O 2.97Å; N373-G376 PolarHBondContact OD1-N 2.91Å; N373-G376 VanDerWaalsContact OD1-N 3.11Å; I374-G376 VanDerWaalsContact C-N 3.31Å |
| 377 | N | 80.3 | Confident | 84 | Confident | 130 Ų | 130 | 42.3 Ų | 42.3 | 70% | 0.695 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 4.6 | 179.9 | -69.8 | -16.3 | 0 | 0 | 0 | 113.9 | K375 | K375-N377 PolarHBondContact O-N 3.1Š|
| 378 | N | 84.6 | Confident | 84.8 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 143.4 | -180 | -60.3 | -57.5 | 0 | 0 | 0 | 111.2 | N56 K375 A380 V396 | N56-N378 PolarHBondContact ND2-OD1 3.5Å; N56-N378 VanDerWaalsContact ND2-OD1 3.17Å; N56-N378 VanDerWaalsContact OD1-CG 3.31Å; N56-N378 PolarHBondContact OD1-ND2 2.83Å; N56-N378 PolarHBondContact OD1-OD1 2.86Å; N56-N378 VanDerWaalsContact OD1-OD1 3.06Å; K375-N378 WeakPolarHBondContact O-CB 3.26Å; K375-N378 PolarHBondContact O-N 3.46Å; K375-N378 PolarHBondContact O-ND2 3.42Å; N378-A380 VanDerWaalsContact C-N 3.33Å; N378-V396 CarbonylContact C-O 3.57Å; N378-V396 WeakPolarHBondContact CA-O 3.33Å |
| 379 | K | 86.4 | Confident | 85.7 | Confident | 80 Ų | 80 | 36.4 Ų | 36.4 | 35% | 0.348 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | -41.7 | 171 | -71.6 | -176.7 | 174.7 | 179 | 0 | 110.7 | F327 V396 K398 | F327-K379 WeakPolarHBondContact CE2-O 3.35Å; F327-K379 HydrophobicContact CZ-CB 3.98Å; K379-V396 HydrophobicContact CB-CB 4.49Å; K379-V396 HydrophobicContact CB-CG1 4.28Å; K379-V396 PolarHBondContact N-O 3.46Å; K379-K398 HydrophobicContact CG-CB 4.35Å |
| 380 | A | 90.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 153.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F327 F364 N378 V396 | F327-A380 HydrophobicContact CD2-CB 3.73Å; F327-A380 HydrophobicContact CE2-CB 3.91Å; F327-A380 HydrophobicContact CG-CB 4.09Å; F327-A380 HydrophobicContact CZ-CB 4.42Å; F364-A380 HydrophobicContact CD1-CB 4.23Å; F364-A380 HydrophobicContact CE1-CB 4.03Å; N378-A380 VanDerWaalsContact C-N 3.33Å; A380-V396 HydrophobicContact CB-CB 4.3Å; A380-V396 HydrophobicContact CB-CG2 4.3Å; A380-V396 PolarHBondContact O-N 3.38Å |
| 381 | A | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 122.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | F364 L365 H394 | F364-A381 WeakPolarHBondContact CA-O 3.48Å; L365-A381 HydrophobicContact CB-CB 4.25Å; L365-A381 HydrophobicContact CD1-CB 3.87Å; L365-A381 HydrophobicContact CG-CB 4.34Å; L365-A381 PolarHBondContact N-O 3.1Å; A381-H394 WeakPolarHBondContact CA-O 3.37Å |
| 382 | L | 95.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.6 | -180 | -177.6 | 77.8 | 0 | 0 | 0 | 108.6 | V337 V339 V362 F364 H394 | V337-L382 HydrophobicContact CG1-CD2 3.71Å; V339-L382 HydrophobicContact CG2-CB 4.3Å; V339-L382 HydrophobicContact CG2-CD2 3.98Å; V362-L382 HydrophobicContact CB-CD1 4.13Å; V362-L382 HydrophobicContact CB-CD2 4.31Å; V362-L382 HydrophobicContact CB-CG 4.35Å; V362-L382 HydrophobicContact CG1-CD2 4.43Å; F364-L382 HydrophobicContact CD1-CB 4.11Å; F364-L382 HydrophobicContact CD1-CD1 3.8Å; F364-L382 HydrophobicContact CD2-CD1 3.77Å; F364-L382 HydrophobicContact CE1-CB 4.02Å; F364-L382 HydrophobicContact CE1-CD1 3.78Å; F364-L382 HydrophobicContact CE1-CG 4.46Å; F364-L382 HydrophobicContact CE2-CD1 3.77Å; F364-L382 HydrophobicContact CG-CD1 3.81Å; F364-L382 HydrophobicContact CZ-CD1 3.77Å; L382-H394 HydrophobicContact CB-CB 4.25Å; L382-H394 PolarHBondContact N-O 2.8Å; L382-H394 PolarHBondContact O-N 2.95Å |
| 383 | L | 97 | Very high | 90.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 140.9 | 167.7 | -60.6 | 177.6 | 0 | 0 | 0 | 109.3 | L9 V19 V21 V28 V362 V363 L365 Q392 V393 | L9-L383 HydrophobicContact CD2-CD2 3.77Å; V19-L383 HydrophobicContact CG2-CD1 4.41Å; V21-L383 HydrophobicContact CG2-CD1 4.16Å; V28-L383 HydrophobicContact CB-CD1 4.43Å; V28-L383 HydrophobicContact CG1-CD1 3.62Å; V28-L383 HydrophobicContact CG2-CD1 3.89Å; V362-L383 CarbonylContact C-O 3.58Å; V362-L383 WeakPolarHBondContact CA-O 3.26Å; V363-L383 HydrophobicContact CG1-CB 3.91Å; V363-L383 HydrophobicContact CG1-CD1 4.11Å; V363-L383 HydrophobicContact CG1-CG 4.45Å; V363-L383 PolarHBondContact N-O 3.39Å; V363-L383 PolarHBondContact O-N 2.97Å; L365-L383 HydrophobicContact CD2-CD1 3.79Å; L365-L383 HydrophobicContact CD2-CG 4.18Å; L365-L383 HydrophobicContact CG-CD1 4.41Å; L365-L383 HydrophobicContact CG-CG 4.25Å; L383-Q392 VanDerWaalsContact CA-O 3.31Å; L383-Q392 WeakPolarHBondContact CA-O 3.12Å; L383-V393 HydrophobicContact CD2-CB 4.19Å; L383-V393 HydrophobicContact CD2-CG1 4.42Å; L383-V393 HydrophobicContact CD2-CG2 3.33Å |
| 384 | S | 98.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140.7 | 171.1 | 58.7 | 0 | 0 | 0 | 0 | 110.1 | H355 C391 Q392 H394 | H355-S384 WeakPolarHBondContact NE2-CB 3.43Å; H355-S384 PolarHBondContact NE2-OG 2.91Å; S384-C391 CarbonylContact O-C 3.55Å; S384-C391 VanDerWaalsContact O-CA 3.3Å; S384-C391 WeakPolarHBondContact O-CA 3.32Å; S384-Q392 PolarHBondContact N-O 2.8Å; S384-Q392 PolarHBondContact O-N 2.79Å; S384-H394 PolarHBondContact OG-CD2 3.16Å; S384-H394 PolarHBondContact OG-NE2 2.91Å |
| 385 | V | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 151.5 | 172.9 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | L16 V19 T30 V359 T360 D361 R390 C391 | L16-V385 HydrophobicContact CB-CB 3.82Å; L16-V385 HydrophobicContact CB-CG1 4.4Å; L16-V385 HydrophobicContact CB-CG2 4.36Å; L16-V385 HydrophobicContact CD1-CB 3.99Å; L16-V385 HydrophobicContact CD1-CG1 3.75Å; V19-V385 HydrophobicContact CB-CB 4.49Å; V19-V385 HydrophobicContact CB-CG1 3.75Å; V19-V385 HydrophobicContact CB-CG2 3.88Å; V19-V385 HydrophobicContact CG1-CB 4.46Å; V19-V385 HydrophobicContact CG1-CG1 4.01Å; V19-V385 HydrophobicContact CG1-CG2 3.69Å; V19-V385 HydrophobicContact CG2-CG1 4.24Å; T30-V385 HydrophobicContact CG2-CG1 4.25Å; V359-V385 CarbonylContact C-O 3.54Å; V359-V385 WeakPolarHBondContact CA-O 3.09Å; V359-V385 WeakPolarHBondContact CG1-O 3.34Å; T360-V385 PolarHBondContact N-O 2.82Å; T360-V385 PolarHBondContact OG1-O 2.94Å; D361-V385 HydrophobicContact CB-CG2 3.83Å; D361-V385 PolarHBondContact O-N 3.3Å; V385-R390 WeakPolarHBondContact CA-O 3.49Å; V385-C391 HydrophobicContact CG1-CB 3.89Å |
| 386 | A | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 169.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L16 H355 I357 V358 D388 S389 R390 | L16-A386 PolarHBondContact N-O 3.39Å; L16-A386 CarbonylContact O-C 3.53Å; H355-A386 HydrophobicContact CB-CB 3.71Å; H355-A386 VanDerWaalsContact CG-CB 3.49Å; H355-A386 VanDerWaalsContact ND1-CB 3.35Å; H355-A386 WeakPolarHBondContact ND1-CB 3.37Å; I357-A386 HydrophobicContact CG2-CB 4.49Å; V358-A386 WeakPolarHBondContact O-CA 3.48Å; V358-A386 WeakPolarHBondContact O-CB 3.42Å; A386-D388 WeakPolarHBondContact CB-OD1 3.37Å; A386-D388 PolarHBondContact O-N 2.82Å; A386-S389 PolarHBondContact O-N 3.18Å; A386-R390 PolarHBondContact N-O 3.3Å |
| 387 | V | 96.2 | Very high | 93 | Very high | 39 Ų | 39 | 24.4 Ų | 24.4 | 24% | 0.236 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.1 | 176.2 | 178.9 | 0 | 0 | 0 | 0 | 112 | P15 Y17 I357 V358 T360 S389 | P15-V387 HydrophobicContact CB-CG1 4.09Å; P15-V387 WeakPolarHBondContact CB-O 3.45Å; Y17-V387 HydrophobicContact CE1-CG2 4.23Å; I357-V387 HydrophobicContact CD1-CB 4.23Å; I357-V387 HydrophobicContact CD1-CG1 4.09Å; I357-V387 HydrophobicContact CG2-CB 3.74Å; V358-V387 HydrophobicContact CG1-CB 4.38Å; V358-V387 HydrophobicContact CG1-CG2 3.57Å; V358-V387 PolarHBondContact O-N 3.34Å; T360-V387 HydrophobicContact CG2-CG2 3.57Å; V387-S389 PolarHBondContact O-N 3.45Å |
| 388 | D | 95.1 | Very high | 92.6 | Very high | 32 Ų | 32 | 25.6 Ų | 25.6 | 17% | 0.171 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 6.7 | 173.7 | 69.9 | 8.7 | 0 | 0 | 0 | 114.7 | H355 G356 I357 A386 R390 | H355-D388 WeakPolarHBondContact CA-OD2 3.29Å; H355-D388 WeakPolarHBondContact CB-OD2 3.29Å; H355-D388 IonicContact CG-OD2 3.62Å; H355-D388 IonicContact ND1-OD1 3.45Å; H355-D388 PolarHBondContact ND1-OD1 2.88Å; H355-D388 IonicContact ND1-OD2 2.72Å; H355-D388 PolarHBondContact ND1-OD2 2.88Å; G356-D388 PolarHBondContact N-OD2 3.48Å; I357-D388 HydrophobicContact CG2-CB 3.88Å; A386-D388 WeakPolarHBondContact CB-OD1 3.37Å; A386-D388 PolarHBondContact O-N 2.82Å; D388-R390 VanDerWaalsContact CG-NE 3.34Å; D388-R390 PolarHBondContact O-N 2.97Å; D388-R390 WeakPolarHBondContact OD1-CB 3.36Å; D388-R390 PolarHBondContact OD1-N 3.34Å; D388-R390 VanDerWaalsContact OD1-N 3.1Å; D388-R390 IonicContact OD1-NE 3.64Å; D388-R390 IonicContact OD2-CZ 3.65Å; D388-R390 IonicContact OD2-NE 2.9Å; D388-R390 PolarHBondContact OD2-NE 2.9Å; D388-R390 IonicContact OD2-NH2 2.66Å; D388-R390 PolarHBondContact OD2-NH2 2.92Å |
| 389 | S | 95.8 | Very high | 91.7 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 68 | 14.9 | 176.9 | -41 | 0 | 0 | 0 | 0 | 114.1 | R11 A12 F14 A386 V387 | R11-S389 CarbonylContact C-O 3.58Å; R11-S389 WeakPolarHBondContact CA-O 3.31Å; A12-S389 PolarHBondContact N-O 2.81Å; A12-S389 WeakPolarHBondContact O-CB 3.39Å; F14-S389 WeakPolarHBondContact O-CB 3.44Å; F14-S389 PolarHBondContact O-OG 2.86Å; F14-S389 VanDerWaalsContact O-OG 3.1Å; A386-S389 PolarHBondContact O-N 3.18Å; V387-S389 PolarHBondContact O-N 3.45Å |
| 390 | R | 96.6 | Very high | 90.3 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 21% | 0.211 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 140 | -179.3 | -59.2 | -176.6 | -68.1 | 162.4 | -0.4 | 111.3 | D8 R11 S354 H355 V385 A386 D388 | D8-R390 IonicContact OD1-NH1 3.22Å; D8-R390 PolarHBondContact OD1-NH1 2.98Å; D8-R390 WeakPolarHBondContact OD2-CD 3.44Å; D8-R390 IonicContact OD2-NH1 2.76Å; R11-R390 HydrophobicContact CG-CG 4.37Å; S354-R390 PolarHBondContact O-NH2 2.79Å; H355-R390 PolarHBondContact CE1-O 2.92Å; V385-R390 WeakPolarHBondContact CA-O 3.49Å; A386-R390 PolarHBondContact N-O 3.3Å; D388-R390 VanDerWaalsContact CG-NE 3.34Å; D388-R390 PolarHBondContact O-N 2.97Å; D388-R390 WeakPolarHBondContact OD1-CB 3.36Å; D388-R390 PolarHBondContact OD1-N 3.34Å; D388-R390 VanDerWaalsContact OD1-N 3.1Å; D388-R390 IonicContact OD1-NE 3.64Å; D388-R390 IonicContact OD2-CZ 3.65Å; D388-R390 IonicContact OD2-NE 2.9Å; D388-R390 PolarHBondContact OD2-NE 2.9Å; D388-R390 IonicContact OD2-NH2 2.66Å; D388-R390 PolarHBondContact OD2-NH2 2.92Å |
| 391 | C | 97.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.6 | 165.6 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | L9 Y10 L16 S384 V385 | L9-C391 WeakPolarHBondContact CB-O 3.4Å; L9-C391 PolarHBondContact N-O 2.88Å; Y10-C391 PolarHBondContact N-O 2.89Å; Y10-C391 PolarHBondContact O-N 2.95Å; L16-C391 HydrophobicContact CD1-CB 4.25Å; S384-C391 CarbonylContact O-C 3.55Å; S384-C391 VanDerWaalsContact O-CA 3.3Å; S384-C391 WeakPolarHBondContact O-CA 3.32Å; V385-C391 HydrophobicContact CG1-CB 3.89Å |
| 392 | Q | 96.2 | Very high | 87.6 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 152 | -178.3 | -74 | -179.8 | -7.4 | 0 | 0 | 111.1 | V6 D8 S354 H355 L383 S384 | V6-Q392 HydrophobicContact CG1-CB 3.9Å; V6-Q392 HydrophobicContact CG1-CG 4.18Å; D8-Q392 VanDerWaalsContact OD1-CG 3.3Å; D8-Q392 WeakPolarHBondContact OD1-CG 3.39Å; D8-Q392 PolarHBondContact OD1-NE2 2.86Å; S354-Q392 PolarHBondContact O-NE2 2.82Å; S354-Q392 VanDerWaalsContact O-NE2 3.1Å; S354-Q392 PolarHBondContact O-OE1 3.15Å; S354-Q392 PolarHBondContact OG-OE1 3.15Å; H355-Q392 PolarHBondContact NE2-OE1 2.93Å; L383-Q392 VanDerWaalsContact CA-O 3.31Å; L383-Q392 WeakPolarHBondContact CA-O 3.12Å; S384-Q392 PolarHBondContact N-O 2.8Å; S384-Q392 PolarHBondContact O-N 2.79Å |
| 393 | V | 94.4 | Very high | 86.6 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.9 | 174.7 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | L9 Y58 L383 T395 | L9-V393 HydrophobicContact CB-CG2 3.68Å; L9-V393 HydrophobicContact CD1-CG2 4.06Å; L9-V393 HydrophobicContact CD2-CG2 3.54Å; L9-V393 HydrophobicContact CG-CG2 3.93Å; Y58-V393 HydrophobicContact CD2-CB 4.34Å; Y58-V393 HydrophobicContact CD2-CG1 3.62Å; Y58-V393 HydrophobicContact CD2-CG2 4.49Å; Y58-V393 HydrophobicContact CE2-CG1 3.9Å; Y58-V393 HydrophobicContact CG-CG1 4.18Å; Y58-V393 HydrophobicContact CG-CG2 4.35Å; L383-V393 HydrophobicContact CD2-CB 4.19Å; L383-V393 HydrophobicContact CD2-CG1 4.42Å; L383-V393 HydrophobicContact CD2-CG2 3.33Å; V393-T395 HydrophobicContact CG1-CG2 4.1Å |
| 394 | H | 94.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 103.6 | 178.2 | -61.2 | -89.1 | 0 | 0 | 0 | 110.2 | Y349 S354 A381 L382 S384 | Y349-H394 HydrophobicContact CE1-CB 3.83Å; Y349-H394 AromaticContact CE1-CG 3.92Å; Y349-H394 AromaticContact CE1-ND1 3.38Å; Y349-H394 WeakPolarHBondContact CE1-ND1 3.33Å; Y349-H394 AromaticContact CZ-ND1 3.5Å; Y349-H394 PolarHBondContact OH-ND1 3.02Å; S354-H394 PolarHBondContact OG-CE1 2.95Å; S354-H394 VanDerWaalsContact OG-CE1 3.23Å; A381-H394 WeakPolarHBondContact CA-O 3.37Å; L382-H394 HydrophobicContact CB-CB 4.25Å; L382-H394 PolarHBondContact N-O 2.8Å; L382-H394 PolarHBondContact O-N 2.95Å; S384-H394 PolarHBondContact OG-CD2 3.16Å; S384-H394 PolarHBondContact OG-NE2 2.91Å |
| 395 | T | 91.6 | Very high | 84.9 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.6 | 178.3 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | Y58 V393 | Y58-T395 HydrophobicContact CD2-CG2 4.22Å; Y58-T395 HydrophobicContact CE2-CG2 3.5Å; V393-T395 HydrophobicContact CG1-CG2 4.1Å |
| 396 | V | 89.2 | Confident | 84 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 104 | 169 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | V339 Y349 N378 K379 A380 | V339-V396 HydrophobicContact CB-CG2 4.11Å; V339-V396 HydrophobicContact CG1-CG2 4.17Å; V339-V396 HydrophobicContact CG2-CG2 4.03Å; Y349-V396 HydrophobicContact CD2-CG2 4.42Å; Y349-V396 HydrophobicContact CG-CG2 4.36Å; N378-V396 CarbonylContact C-O 3.57Å; N378-V396 WeakPolarHBondContact CA-O 3.33Å; K379-V396 HydrophobicContact CB-CB 4.49Å; K379-V396 HydrophobicContact CB-CG1 4.28Å; K379-V396 PolarHBondContact N-O 3.46Å; A380-V396 HydrophobicContact CB-CB 4.3Å; A380-V396 HydrophobicContact CB-CG2 4.3Å; A380-V396 PolarHBondContact O-N 3.38Å |
| 397 | T | 83.8 | Confident | 83.3 | Confident | 76 Ų | 76 | 76 Ų | 76 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 144.5 | -177.8 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | N56 E399 | N56-T397 WeakPolarHBondContact ND2-CG2 3.28Å; T397-E399 PolarHBondContact O-N 3.38Å |
| 398 | K | 72.6 | Confident | 82.7 | Confident | 155 Ų | 155 | 80.2 Ų | 80.2 | 67% | 0.674 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -63 | 126.2 | 165.3 | -161.6 | 172.9 | -175.9 | 178.3 | 0 | 108 | K379 R400 | K379-K398 HydrophobicContact CG-CB 4.35Å; K398-R400 PolarHBondContact O-N 2.88Å |
| 399 | E | 65.1 | Low | 82.4 | Confident | 153 Ų | 153 | 81.2 Ų | 81.2 | 72% | 0.715 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 139.2 | 173.4 | -73.1 | 177.4 | -170.5 | 0 | 0 | 108.9 | T397 | T397-E399 PolarHBondContact O-N 3.38Š|
| 400 | R | 58.1 | Low | 82 | Confident | 230 Ų | 230 | 81.9 Ų | 81.9 | 87% | 0.868 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 136.8 | 169.6 | -70 | -176.6 | 179.6 | -179.5 | 0.3 | 106.8 | K398 I402 | K398-R400 PolarHBondContact O-N 2.88Å; R400-I402 PolarHBondContact O-N 2.87Å |
| 401 | P | 59 | Low | 81.6 | Confident | 116 Ų | 116 | 83.7 Ų | 83.7 | 75% | 0.753 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 134.5 | 172.1 | 23.1 | -31.6 | 0 | 0 | 0 | 107.8 | P403 | P401-P403 WeakPolarHBondContact O-CD 3.36Å; P401-P403 VanDerWaalsContact O-N 3.1Å |
| 402 | I | 67.6 | Low | 81.3 | Confident | 127 Ų | 127 | 88.9 Ų | 88.9 | 65% | 0.651 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 123.5 | 174.6 | -63.9 | 171.6 | 0 | 0 | 0 | 106.1 | R400 L406 | R400-I402 PolarHBondContact O-N 2.87Å; I402-L406 HydrophobicContact CG2-CB 3.65Å; I402-L406 HydrophobicContact CG2-CD1 3.9Å; I402-L406 HydrophobicContact CG2-CG 4.43Å |
| 403 | P | 75.6 | Confident | 81.1 | Confident | 53 Ų | 53 | 93.8 Ų | 93.8 | 34% | 0.344 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 132 | 178.2 | -26.3 | 26.7 | 0 | 0 | 0 | 110.1 | P401 W405 L406 | P401-P403 WeakPolarHBondContact O-CD 3.36Å; P401-P403 VanDerWaalsContact O-N 3.1Å; P403-W405 HydrophobicContact CB-CD2 4.39Å; P403-W405 HydrophobicContact CB-CG 4.05Å; P403-W405 PolarHBondContact O-N 2.87Å; P403-L406 HydrophobicContact CG-CD1 4.2Å; P403-L406 PolarHBondContact O-N 3.43Å |
| 404 | P | 77.4 | Confident | 81 | Confident | 95 Ų | 95 | 96.7 Ų | 96.7 | 62% | 0.617 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.5 | -27.2 | -174.7 | 16.7 | -28.5 | 0 | 0 | 0 | 112.4 | L406 F407 F408 | P404-L406 VanDerWaalsContact C-N 3.31Å; P404-L406 PolarHBondContact O-N 2.91Å; P404-F407 WeakPolarHBondContact O-CB 3.39Å; P404-F407 PolarHBondContact O-N 2.92Å; P404-F407 VanDerWaalsContact O-N 3.15Å; P404-F408 HydrophobicContact CB-CE2 4.41Å; P404-F408 WeakPolarHBondContact O-CD2 3.32Å; P404-F408 PolarHBondContact O-N 3.11Å; P404-F408 VanDerWaalsContact O-N 3.11Å |
| 405 | W | 80.7 | Confident | 80.9 | Confident | 155 Ų | 155 | 98.1 Ų | 98.1 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -31.6 | 174.7 | 68.9 | -99.4 | 0 | 0 | 0 | 114.2 | P403 F407 F408 C409 | P403-W405 HydrophobicContact CB-CD2 4.39Å; P403-W405 HydrophobicContact CB-CG 4.05Å; P403-W405 PolarHBondContact O-N 2.87Å; W405-F407 VanDerWaalsContact C-N 3.32Å; W405-F408 CarbonylContact O-C 3.48Å; W405-F408 PolarHBondContact O-N 2.96Å; W405-C409 PolarHBondContact O-N 3.38Å; W405-C409 PolarHBondContact O-SG 2.99Å |
| 406 | L | 80.6 | Confident | 80.8 | Confident | 80 Ų | 80 | 102 Ų | 102 | 42% | 0.419 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.2 | -32.7 | 175.7 | -82 | 165.1 | 0 | 0 | 0 | 111.8 | I402 P403 P404 C409 G410 | I402-L406 HydrophobicContact CG2-CB 3.65Å; I402-L406 HydrophobicContact CG2-CD1 3.9Å; I402-L406 HydrophobicContact CG2-CG 4.43Å; P403-L406 HydrophobicContact CG-CD1 4.2Å; P403-L406 PolarHBondContact O-N 3.43Å; P404-L406 VanDerWaalsContact C-N 3.31Å; P404-L406 PolarHBondContact O-N 2.91Å; L406-C409 PolarHBondContact O-N 3.39Å; L406-G410 PolarHBondContact O-N 2.9Å |
| 407 | F | 82.3 | Confident | 80.8 | Confident | 144 Ų | 144 | 106.7 Ų | 106.7 | 63% | 0.632 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.7 | -42.1 | 171.2 | -175.7 | -98.5 | 0 | 0 | 0 | 111 | P404 W405 G410 L411 | P404-F407 WeakPolarHBondContact O-CB 3.39Å; P404-F407 PolarHBondContact O-N 2.92Å; P404-F407 VanDerWaalsContact O-N 3.15Å; W405-F407 VanDerWaalsContact C-N 3.32Å; F407-G410 PolarHBondContact O-N 2.66Å; F407-L411 HydrophobicContact CD1-CD1 3.8Å; F407-L411 HydrophobicContact CE1-CD1 3.45Å; F407-L411 VanDerWaalsContact CE1-CD1 3.45Å; F407-L411 HydrophobicContact CE1-CG 4.27Å; F407-L411 HydrophobicContact CZ-CD1 4.19Å; F407-L411 PolarHBondContact O-N 2.78Å |
| 408 | F | 84.8 | Confident | 81 | Confident | 127 Ų | 127 | 108.1 Ų | 108.1 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.1 | -40.5 | 172.6 | -72.7 | -70.5 | 0 | 0 | 0 | 112.6 | P404 W405 G410 L411 I412 | P404-F408 HydrophobicContact CB-CE2 4.41Å; P404-F408 WeakPolarHBondContact O-CD2 3.32Å; P404-F408 PolarHBondContact O-N 3.11Å; P404-F408 VanDerWaalsContact O-N 3.11Å; W405-F408 CarbonylContact O-C 3.48Å; W405-F408 PolarHBondContact O-N 2.96Å; F408-G410 VanDerWaalsContact C-N 3.34Å; F408-G410 PolarHBondContact O-N 3.12Å; F408-L411 PolarHBondContact O-N 2.93Å; F408-I412 VanDerWaalsContact O-CG1 3.26Å; F408-I412 WeakPolarHBondContact O-CG1 3.46Å; F408-I412 PolarHBondContact O-N 3.28Å |
| 409 | C | 87.1 | Confident | 81.8 | Confident | 53 Ų | 53 | 105.2 Ų | 105.2 | 36% | 0.358 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 173.5 | -70.2 | 0 | 0 | 0 | 0 | 111.7 | W405 L406 I412 I413 | W405-C409 PolarHBondContact O-N 3.38Å; W405-C409 PolarHBondContact O-SG 2.99Å; L406-C409 PolarHBondContact O-N 3.39Å; C409-I412 PolarHBondContact O-N 2.6Å; C409-I413 VanDerWaalsContact O-CG1 3.27Å; C409-I413 WeakPolarHBondContact O-CG1 3.49Å; C409-I413 PolarHBondContact O-N 3.45Å |
| 410 | G | 87.3 | Confident | 82.7 | Confident | 33 Ų | 33 | 102.9 Ų | 102.9 | 34% | 0.34 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L406 F407 F408 I412 I413 V414 | L406-G410 PolarHBondContact O-N 2.9Å; F407-G410 PolarHBondContact O-N 2.66Å; F408-G410 VanDerWaalsContact C-N 3.34Å; F408-G410 PolarHBondContact O-N 3.12Å; G410-I412 PolarHBondContact O-N 3.15Å; G410-I413 PolarHBondContact O-N 2.81Å; G410-V414 WeakPolarHBondContact O-CG2 3.23Å; G410-V414 PolarHBondContact O-N 2.65Å |
| 411 | L | 89.1 | Confident | 83.9 | Confident | 95 Ų | 95 | 97.3 Ų | 97.3 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 175.2 | -81.5 | 166.8 | 0 | 0 | 0 | 112.7 | F407 F408 V414 G415 | F407-L411 HydrophobicContact CD1-CD1 3.8Å; F407-L411 HydrophobicContact CE1-CD1 3.45Å; F407-L411 VanDerWaalsContact CE1-CD1 3.45Å; F407-L411 HydrophobicContact CE1-CG 4.27Å; F407-L411 HydrophobicContact CZ-CD1 4.19Å; F407-L411 PolarHBondContact O-N 2.78Å; F408-L411 PolarHBondContact O-N 2.93Å; L411-V414 PolarHBondContact O-N 2.94Å; L411-G415 PolarHBondContact O-N 2.83Å |
| 412 | I | 90.8 | Very high | 85 | Confident | 109 Ų | 109 | 101.4 Ų | 101.4 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 176.4 | -69.3 | 164.7 | 0 | 0 | 0 | 110.8 | F408 C409 G410 G415 M416 | F408-I412 VanDerWaalsContact O-CG1 3.26Å; F408-I412 WeakPolarHBondContact O-CG1 3.46Å; F408-I412 PolarHBondContact O-N 3.28Å; C409-I412 PolarHBondContact O-N 2.6Å; G410-I412 PolarHBondContact O-N 3.15Å; I412-G415 PolarHBondContact O-N 3.02Å; I412-M416 HydrophobicContact CG2-CG 4.35Å; I412-M416 WeakPolarHBondContact O-CB 3.42Å; I412-M416 VanDerWaalsContact O-CG 3.25Å; I412-M416 WeakPolarHBondContact O-CG 3.34Å; I412-M416 PolarHBondContact O-N 3.01Å |
| 413 | I | 91.6 | Very high | 85.7 | Confident | 104 Ų | 104 | 100.5 Ų | 100.5 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 177.7 | -68.9 | 164.3 | 0 | 0 | 0 | 110.6 | C409 G410 M416 L417 | C409-I413 VanDerWaalsContact O-CG1 3.27Å; C409-I413 WeakPolarHBondContact O-CG1 3.49Å; C409-I413 PolarHBondContact O-N 3.45Å; G410-I413 PolarHBondContact O-N 2.81Å; I413-M416 PolarHBondContact O-N 3.44Å; I413-L417 HydrophobicContact CG2-CD1 4.12Å; I413-L417 WeakPolarHBondContact O-CG 3.07Å; I413-L417 PolarHBondContact O-N 2.66Å |
| 414 | V | 92.3 | Very high | 85.9 | Confident | 81 Ų | 81 | 104.2 Ų | 104.2 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 111 | G410 L411 M416 L417 L418 | G410-V414 WeakPolarHBondContact O-CG2 3.23Å; G410-V414 PolarHBondContact O-N 2.65Å; L411-V414 PolarHBondContact O-N 2.94Å; V414-M416 PolarHBondContact O-N 3.31Å; V414-L417 PolarHBondContact O-N 3.09Å; V414-L418 HydrophobicContact CG1-CD1 4.09Å; V414-L418 WeakPolarHBondContact O-CG 3.31Å; V414-L418 PolarHBondContact O-N 3.22Å |
| 415 | G | 91.6 | Very high | 85.5 | Confident | 29 Ų | 29 | 104.7 Ų | 104.7 | 30% | 0.299 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L411 I412 L418 I419 | L411-G415 PolarHBondContact O-N 2.83Å; I412-G415 PolarHBondContact O-N 3.02Å; G415-L418 PolarHBondContact O-N 3.29Å; G415-I419 WeakPolarHBondContact O-CB 3.46Å; G415-I419 VanDerWaalsContact O-CG1 3.26Å; G415-I419 WeakPolarHBondContact O-CG1 3.48Å; G415-I419 PolarHBondContact O-N 3.44Å |
| 416 | M | 90.1 | Very high | 84.5 | Confident | 115 Ų | 115 | 103.8 Ų | 103.8 | 57% | 0.567 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 176.2 | -75.9 | -80.4 | -91.6 | 0 | 0 | 112 | I412 I413 V414 I419 L420 | I412-M416 HydrophobicContact CG2-CG 4.35Å; I412-M416 WeakPolarHBondContact O-CB 3.42Å; I412-M416 VanDerWaalsContact O-CG 3.25Å; I412-M416 WeakPolarHBondContact O-CG 3.34Å; I412-M416 PolarHBondContact O-N 3.01Å; I413-M416 PolarHBondContact O-N 3.44Å; V414-M416 PolarHBondContact O-N 3.31Å; M416-I419 PolarHBondContact O-N 2.95Å; M416-L420 WeakPolarHBondContact O-CB 3.32Å; M416-L420 PolarHBondContact O-N 2.95Å |
| 417 | L | 88.8 | Confident | 83.3 | Confident | 110 Ų | 110 | 107.2 Ų | 107.2 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.9 | -42.6 | 175.8 | -74.2 | 169.9 | 0 | 0 | 0 | 111.9 | I413 V414 L420 Q421 | I413-L417 HydrophobicContact CG2-CD1 4.12Å; I413-L417 WeakPolarHBondContact O-CG 3.07Å; I413-L417 PolarHBondContact O-N 2.66Å; V414-L417 PolarHBondContact O-N 3.09Å; L417-L420 PolarHBondContact O-N 2.81Å; L417-Q421 WeakPolarHBondContact O-CB 3.02Å; L417-Q421 PolarHBondContact O-N 3.36Å |
| 418 | L | 89.4 | Confident | 81.8 | Confident | 107 Ų | 107 | 110.2 Ų | 110.2 | 56% | 0.56 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.2 | -39.4 | 176.3 | -71 | 170.7 | 0 | 0 | 0 | 112.2 | V414 G415 Q421 Y422 | V414-L418 HydrophobicContact CG1-CD1 4.09Å; V414-L418 WeakPolarHBondContact O-CG 3.31Å; V414-L418 PolarHBondContact O-N 3.22Å; G415-L418 PolarHBondContact O-N 3.29Å; L418-Q421 PolarHBondContact O-N 2.74Å; L418-Y422 WeakPolarHBondContact O-CB 3.46Å; L418-Y422 PolarHBondContact O-N 2.83Å |
| 419 | I | 88.5 | Confident | 81.7 | Confident | 94 Ų | 94 | 109.4 Ų | 109.4 | 48% | 0.482 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 175.1 | -70.7 | 165.7 | 0 | 0 | 0 | 110.8 | G415 M416 Q421 Y422 L423 | G415-I419 WeakPolarHBondContact O-CB 3.46Å; G415-I419 VanDerWaalsContact O-CG1 3.26Å; G415-I419 WeakPolarHBondContact O-CG1 3.48Å; G415-I419 PolarHBondContact O-N 3.44Å; M416-I419 PolarHBondContact O-N 2.95Å; I419-Q421 VanDerWaalsContact C-N 3.32Å; I419-Q421 PolarHBondContact O-N 2.93Å; I419-Y422 PolarHBondContact O-N 3.03Å; I419-L423 HydrophobicContact CG2-CD1 3.57Å; I419-L423 HydrophobicContact CG2-CG 4.43Å; I419-L423 WeakPolarHBondContact O-CB 3.43Å; I419-L423 WeakPolarHBondContact O-CG 3.37Å; I419-L423 PolarHBondContact O-N 2.97Å |
| 420 | L | 84.6 | Confident | 81.4 | Confident | 103 Ų | 103 | 112.3 Ų | 112.3 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.1 | -42.1 | 176 | -123 | 99.7 | 0 | 0 | 0 | 111.4 | M416 L417 Y422 L423 F424 | M416-L420 WeakPolarHBondContact O-CB 3.32Å; M416-L420 PolarHBondContact O-N 2.95Å; L417-L420 PolarHBondContact O-N 2.81Å; L420-Y422 VanDerWaalsContact C-N 3.31Å; L420-Y422 PolarHBondContact O-N 3.04Å; L420-L423 PolarHBondContact O-N 3.43Å; L420-F424 PolarHBondContact O-N 3.42Å |
| 421 | Q | 82.3 | Confident | 81.1 | Confident | 114 Ų | 114 | 116.7 Ų | 116.7 | 53% | 0.533 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.7 | -33.5 | 178.6 | -167.7 | 171.6 | 8.1 | 0 | 0 | 112.2 | L417 L418 I419 | L417-Q421 WeakPolarHBondContact O-CB 3.02Å; L417-Q421 PolarHBondContact O-N 3.36Å; L418-Q421 PolarHBondContact O-N 2.74Å; I419-Q421 VanDerWaalsContact C-N 3.32Å; I419-Q421 PolarHBondContact O-N 2.93Å |
| 422 | Y | 83 | Confident | 80.6 | Confident | 201 Ų | 201 | 118 Ų | 118 | 79% | 0.788 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.1 | -40.1 | 173.6 | -177 | -100.6 | 0 | 0 | 0 | 112.8 | L418 I419 L420 | L418-Y422 WeakPolarHBondContact O-CB 3.46Å; L418-Y422 PolarHBondContact O-N 2.83Å; I419-Y422 PolarHBondContact O-N 3.03Å; L420-Y422 VanDerWaalsContact C-N 3.31Å; L420-Y422 PolarHBondContact O-N 3.04Å |
| 423 | L | 81.3 | Confident | 80 | Confident | 109 Ų | 109 | 118.6 Ų | 118.6 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -79.3 | -28.5 | -178 | -74.1 | 164.6 | 0 | 0 | 0 | 113.5 | I419 L420 | I419-L423 HydrophobicContact CG2-CD1 3.57Å; I419-L423 HydrophobicContact CG2-CG 4.43Å; I419-L423 WeakPolarHBondContact O-CB 3.43Å; I419-L423 WeakPolarHBondContact O-CG 3.37Å; I419-L423 PolarHBondContact O-N 2.97Å; L420-L423 PolarHBondContact O-N 3.43Å |
| 424 | F | 80.3 | Confident | 79.2 | Confident | 131 Ų | 131 | 119.5 Ų | 119.5 | 58% | 0.575 | 62% | 0.623 | S | S | * | * | trans | -130.5 | 73.1 | -178.2 | -59.8 | -78.7 | 0 | 0 | 0 | 111.8 | L420 V426 | L420-F424 PolarHBondContact O-N 3.42Å; F424-V426 PolarHBondContact O-N 3.19Å | ||
| 425 | P | 70 | Confident | 78.2 | Confident | 104 Ų | 104 | 122.3 Ų | 122.3 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -1.7 | -176.2 | 24.8 | -31.8 | 0 | 0 | 0 | 115.1 | ||
| 426 | V | 59 | Low | 77.2 | Confident | 137 Ų | 137 | 129.5 Ų | 129.5 | 83% | 0.83 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 9.2 | -170.4 | -171.8 | 0 | 0 | 0 | 0 | 113.2 | F424 | F424-V426 PolarHBondContact O-N 3.19Š|
| 427 | L | 55.8 | Low | 76.2 | Confident | 152 Ų | 152 | 130.7 Ų | 130.7 | 80% | 0.796 | 67% | 0.665 | S | S | * | * | trans | -120.8 | 24.7 | -173.6 | -119.7 | 138.3 | 0 | 0 | 0 | 115.6 | ||||
| 428 | I | 50.9 | Low | 75 | Confident | 206 Ų | 206 | 132.5 Ų | 132.5 | 100% | 1.056 | 67% | 0.673 | S | S | * | * | trans | -125.2 | 0 | 165.4 | -63.5 | 175.9 | 0 | 0 | 0 | 109.1 |
Retrieved 428 of 428 residues in 239.8 ms
(Link to these results)